A0A096NK65_PAPAN Loading...

Active regulator of SIRT1

AlphaFold DB , UniProt , Accession A0A096NK65, Species PAPAN (Papio anubis, Olive baboon), Gene RPS19BP1, Length 137 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
1M60Low82.8Confident213 Ų213106.1 Ų106.1100%1.04956%0.561SS**  01330-78.6-165.7-85.800108.5
2S84.5Confident82.8Confident68 Ų68100 Ų10048%0.47653%0.529SS..  trans-82140-177.860.10000111.6A4 L5 L6S2-A4 PolarHBondContact O-N 3.42Å; S2-L5 WeakPolarHBondContact O-CB 3.27Å; S2-L5 PolarHBondContact O-N 3.4Å; S2-L5 WeakPolarHBondContact OG-CB 3.46Å; S2-L6 PolarHBondContact O-N 3.28Å
3A86.6Confident82.6Confident60 Ų6098.2 Ų98.250%0.49652%0.519SS..Hα-helixtrans-59.6-30.5178.100000112.9L5 L6 R7A3-L5 VanDerWaalsContact C-N 3.32Å; A3-L5 PolarHBondContact O-N 3.14Å; A3-L6 PolarHBondContact O-N 3.19Å; A3-R7 PolarHBondContact O-N 2.78Å; A3-R7 VanDerWaalsContact O-N 3.11Å
4A83.6Confident82.3Confident57 Ų5795.5 Ų95.547%0.47152%0.518SS..Hα-helixtrans-65-33.9175.600000112.8S2 R8S2-A4 PolarHBondContact O-N 3.42Å; A4-R8 WeakPolarHBondContact O-CB 3.49Å; A4-R8 PolarHBondContact O-N 3.49Å; A4-R8 VanDerWaalsContact O-N 3.08Å
5L82.1Confident81.2Confident103 Ų10394.9 Ų94.954%0.53953%0.531SS..Hα-helixtrans-69.2-41.7178-169.7155.3000110.8S2 A3 G9S2-L5 WeakPolarHBondContact O-CB 3.27Å; S2-L5 PolarHBondContact O-N 3.4Å; S2-L5 WeakPolarHBondContact OG-CB 3.46Å; A3-L5 VanDerWaalsContact C-N 3.32Å; A3-L5 PolarHBondContact O-N 3.14Å; L5-G9 PolarHBondContact O-N 2.97Å
6L83.8Confident80.1Confident97 Ų9792.6 Ų92.651%0.50852%0.523SS..Hα-helixtrans-62.9-46.7176.4-64.3176.7000111.5S2 A3 G9 L10S2-L6 PolarHBondContact O-N 3.28Å; A3-L6 PolarHBondContact O-N 3.19Å; L6-G9 PolarHBondContact O-N 2.81Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.5Å
7R87.8Confident78.9Confident155 Ų15594.1 Ų94.159%0.58553%0.525SS*.Hα-helixtrans-56.9-52.7176.7-80.1-178.3-97.8143.5-11.9112.3A3 G9 L10 E11A3-R7 PolarHBondContact O-N 2.78Å; A3-R7 VanDerWaalsContact O-N 3.11Å; R7-G9 PolarHBondContact O-N 2.74Å; R7-L10 PolarHBondContact O-N 2.72Å; R7-L10 VanDerWaalsContact O-N 3.14Å; R7-E11 WeakPolarHBondContact O-CG 3.31Å; R7-E11 PolarHBondContact O-N 3.27Å
8R84.2Confident77.7Confident132 Ų13292.9 Ų92.950%0.49853%0.529SS..Hα-helixtrans-61.7-32.2178.6-165.1-178.5-178-178.8-1.1112.5A4 L12A4-R8 WeakPolarHBondContact O-CB 3.49Å; A4-R8 PolarHBondContact O-N 3.49Å; A4-R8 VanDerWaalsContact O-N 3.08Å; R8-L12 VanDerWaalsContact O-CD1 3.31Å; R8-L12 WeakPolarHBondContact O-CD1 3.33Å; R8-L12 VanDerWaalsContact O-CG 3.26Å; R8-L12 WeakPolarHBondContact O-CG 3.26Å
9G85.1Confident76.2Confident29 Ų2995.1 Ų95.130%0.29955%0.547SS..Hα-helixtrans-66.6-43.1175.400000112.8L5 L6 R7L5-G9 PolarHBondContact O-N 2.97Å; L6-G9 PolarHBondContact O-N 2.81Å; R7-G9 PolarHBondContact O-N 2.74Å
10L86.2Confident74.9Confident124 Ų124100.1 Ų100.165%0.64956%0.557SS**Hα-helixtrans-69.6-40.3179-67.3175.3000112.4L6 R7 L12 L13 A14L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.5Å; R7-L10 PolarHBondContact O-N 2.72Å; R7-L10 VanDerWaalsContact O-N 3.14Å; L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 3.04Å; L10-L13 PolarHBondContact O-N 3.11Å; L10-L13 VanDerWaalsContact O-N 3.11Å; L10-A14 PolarHBondContact O-N 3.49Å
11E86.7Confident73.5Confident129 Ų129102.2 Ų102.260%0.60357%0.567SS**Hα-helixtrans-58-36178.3-75.3166.5-168.400113.1R7 L13 A14R7-E11 WeakPolarHBondContact O-CG 3.31Å; R7-E11 PolarHBondContact O-N 3.27Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.25Å; E11-A14 PolarHBondContact O-N 2.76Å
12L82.6Confident73.3Confident33 Ų3397.2 Ų97.217%0.17355%0.551CS.*Hα-helixtrans-65.1-40.3177.6-61.6154.8000111.9R8 L10 Q93 Q97R8-L12 VanDerWaalsContact O-CD1 3.31Å; R8-L12 WeakPolarHBondContact O-CD1 3.33Å; R8-L12 VanDerWaalsContact O-CG 3.26Å; R8-L12 WeakPolarHBondContact O-CG 3.26Å; L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 3.04Å; L12-Q93 PolarHBondContact O-NE2 3.08Å; L12-Q93 PolarHBondContact O-OE1 3.14Å; L12-Q97 HydrophobicContact CD1-CG 4.1Å; L12-Q97 VanDerWaalsContact CD1-NE2 3.29Å; L12-Q97 HydrophobicContact CD2-CB 4.19Å; L12-Q97 HydrophobicContact CD2-CG 3.8Å
13L80.9Confident71.5Confident76 Ų76100.1 Ų100.140%0.39857%0.568SS.*Hα-helixtrans-78.9-30.2-176.7-59.9178.3000111L10 E11 A15 S16 E17 V90 I94L10-L13 PolarHBondContact O-N 3.11Å; L10-L13 VanDerWaalsContact O-N 3.11Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.25Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 3.21Å; L13-S16 PolarHBondContact O-N 3.01Å; L13-E17 PolarHBondContact O-N 3.24Å; L13-V90 HydrophobicContact CD2-CG1 3.49Å; L13-V90 VanDerWaalsContact CD2-CG1 3.49Å; L13-I94 HydrophobicContact CD2-CD1 4.44Å
14A78.4Confident69.5Low61 Ų61100.3 Ų100.350%0.50458%0.575SS.*Hα-helixtrans-61.6-36.9178.900000113.2L10 E11 S16 E17L10-A14 PolarHBondContact O-N 3.49Å; E11-A14 PolarHBondContact O-N 2.76Å; A14-S16 PolarHBondContact O-N 3.39Å; A14-E17 PolarHBondContact O-N 3.2Å; A14-E17 VanDerWaalsContact O-N 3.14Å
15A65.9Low67.8Low87 Ų87106.7 Ų106.772%0.71960%0.595SS**THydrogen-bonded Turntrans-67.4-20.8178.400000113.9L13L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 3.21Å
16S62.5Low66.2Low57 Ų57108.3 Ų108.340%0.39961%0.61SS.*THydrogen-bonded Turntrans-87.6-14.5175.5-178.90000112.6L13 A14 A18 V90L13-S16 PolarHBondContact O-N 3.01Å; A14-S16 PolarHBondContact O-N 3.39Å; S16-A18 PolarHBondContact O-N 2.96Å; S16-V90 WeakPolarHBondContact OG-CG2 3.47Å
17E60.9Low64.7Low118 Ų118112.7 Ų112.755%0.55163%0.625SS**SBendtrans-87.2103.6173.3-62.5-133.713800107.9L13 A14 R20L13-E17 PolarHBondContact O-N 3.24Å; A14-E17 PolarHBondContact O-N 3.2Å; A14-E17 VanDerWaalsContact O-N 3.14Å; E17-R20 IonicContact OE1-NH1 3.2Å; E17-R20 PolarHBondContact OE1-NH1 3.37Å
18A56.4Low62.7Low74 Ų74111.6 Ų111.661%0.61264%0.637SS**  trans-50.2150.8157.100000108.6S16 R20S16-A18 PolarHBondContact O-N 2.96Å; A18-R20 PolarHBondContact O-N 3.39Å
19P48.8Very low61Low134 Ų134117 Ų11787%0.8766%0.658SS**  trans-57.7102-17425.3-33.2000108.5
20R50.6Low59.3Low194 Ų194118.9 Ų118.973%0.73268%0.677SS**  trans-78.2130.1167.5-84.7-178166.6157.1-3.6105.9E17 A18E17-R20 IonicContact OE1-NH1 3.2Å; E17-R20 PolarHBondContact OE1-NH1 3.37Å; A18-R20 PolarHBondContact O-N 3.39Å
21D46.8Very low57.8Low145 Ų145117.3 Ų117.378%0.77568%0.682SS**  trans-41.8147.2164.4-67.9-49.3000110.5
22P54.1Low56.2Low109 Ų109117 Ų11771%0.70869%0.691SS**  trans-50.2145.3-17822.7-34.5000110G24P22-G24 PolarHBondContact O-N 3.34Å
23P46.9Very low54.8Low129 Ų129121.7 Ų121.784%0.83872%0.721SS**  trans-56.3103.7-177.922.6-31.9000109Q25P23-Q25 PolarHBondContact O-N 3.5Å
24G45.2Very low53.6Low63 Ų63127.7 Ų127.765%0.64974%0.744SS**  trans-54.9124.2173.400000107.8P22 T26P22-G24 PolarHBondContact O-N 3.34Å; G24-T26 PolarHBondContact O-N 3.46Å
25Q48.3Very low52.6Low191 Ų191135.7 Ų135.789%0.89376%0.761SS**  trans-45.9107.2178.1-65175.72.900109.6P23 K27P23-Q25 PolarHBondContact O-N 3.5Å; Q25-K27 PolarHBondContact O-N 2.99Å
26T47.7Very low52Low137 Ų137137 Ų13784%0.8476%0.763SS**  trans-69.3103.2169.941.90000107G24G24-T26 PolarHBondContact O-N 3.46Å
27K53.2Low51.9Low190 Ų190145.3 Ų145.383%0.82679%0.785SS**  trans-49.5133.4170.6-71.8-179.9176.5178.40108.9Q25 R29Q25-K27 PolarHBondContact O-N 2.99Å; K27-R29 PolarHBondContact O-N 2.92Å
28P45.4Very low51.8Low131 Ų131148.3 Ų148.385%0.85180%0.796SS**  trans-65.6109.2177.625.9-31.3000108.7G30P28-G30 PolarHBondContact O-N 3.36Å; P28-G30 VanDerWaalsContact O-N 3.15Å
29R49.4Very low51.9Low247 Ų247150 Ų15093%0.93280%0.799SS**  trans-75.1102.7175.5-170.9175.8-176-109.73.4108.5K27K27-R29 PolarHBondContact O-N 2.92Å
30G47.7Very low52.2Low68 Ų68151.8 Ų151.870%0.70179%0.793SS**  trans53.4118.7146.200000118.3P28P28-G30 PolarHBondContact O-N 3.36Å; P28-G30 VanDerWaalsContact O-N 3.15Å
31A56.3Low52.4Low91 Ų91146.9 Ų146.975%0.75279%0.794SS**  trans-48.5145.9172.500000113.6V33A31-V33 PolarHBondContact O-N 2.9Å; A31-V33 VanDerWaalsContact O-N 3.17Å
32P52.3Low52.6Low122 Ų122146.1 Ų146.179%0.79279%0.789SS**  trans-69.6115176.727.4-31.4000110.2K34P32-K34 PolarHBondContact O-N 2.91Å; P32-K34 VanDerWaalsContact O-N 3.12Å
33V52.6Low52.6Low132 Ų132148 Ų14880%0.879%0.788SS**  trans-58.4115.6169.6176.90000108.6A31 R35A31-V33 PolarHBondContact O-N 2.9Å; A31-V33 VanDerWaalsContact O-N 3.17Å; V33-R35 PolarHBondContact O-N 2.87Å
34K55.5Low52.7Low202 Ų202145.6 Ų145.688%0.87878%0.779SS**  trans-61.7106.2175.2-66.2-177.6-179.7177.10109.1P32P32-K34 PolarHBondContact O-N 2.91Å; P32-K34 VanDerWaalsContact O-N 3.12Å
35R58.9Low53.1Low228 Ų228151.1 Ų151.186%0.8679%0.788SS**  trans-73.3129165.9-66.4-177.6-179.4177.7-0.4108.6V33 R37V33-R35 PolarHBondContact O-N 2.87Å; R35-R37 PolarHBondContact O-N 3.47Å
36P51.9Low53.7Low116 Ų116150.3 Ų150.375%0.75378%0.781SS**  trans-66.5111.4175.725.5-31.1000109.5K38P36-K38 VanDerWaalsContact C-N 3.29Å; P36-K38 PolarHBondContact O-N 3.34Å
37R60.2Low54.2Low230 Ų230150 Ų15087%0.86877%0.774SS**  trans-68.487.4165.9-82.6179.3169.9165.1-1.8108.6R35R35-R37 PolarHBondContact O-N 3.47Å
38K59.7Low54.6Low181 Ų181152 Ų15279%0.78778%0.776SS**  trans-124.298.1163.5-70.8-164.9-179-175.60109.2P36P36-K38 VanDerWaalsContact C-N 3.29Å; P36-K38 PolarHBondContact O-N 3.34Å
39T57.9Low55.5Low109 Ų109151.5 Ų151.567%0.66977%0.766SS**  trans172.758.3151.129.80000109.5
40K55.3Low56.3Low172 Ų172143.6 Ų143.675%0.74875%0.749SS**  trans-97.9-2.2168-80.5-166.9174-170.70113.8
41A54.1Low57.3Low91 Ų91144 Ų14475%0.75275%0.746SS**SBendtrans-86.5-22.2-178.800000114
42I52.5Low58.2Low130 Ų130149 Ų14967%0.66775%0.751SS**SBendtrans-87.9-18-177.8-59.1177.7000112.3
43Q53.2Low59.4Low149 Ų149147.3 Ų147.370%0.69676%0.755SS**SBendtrans-82.6-21.7-177.7-72.8-174.8-2.700114.2Q45Q43-Q45 VanDerWaalsContact C-N 3.34Å; Q43-Q45 PolarHBondContact O-N 3.47Å
44A50.3Low60.7Low77 Ų77147.2 Ų147.264%0.63674%0.744SS**G310 helixtrans-74.4-22.1-17600000113.7K46A44-K46 VanDerWaalsContact C-N 3.34Å; A44-K46 PolarHBondContact O-N 2.96Å
45Q53.5Low61.9Low179 Ų179143.6 Ų143.684%0.83674%0.739SS**G310 helixtrans-81.5-10.4-177.3-160.6171.96.100113.7Q43Q43-Q45 VanDerWaalsContact C-N 3.34Å; Q43-Q45 PolarHBondContact O-N 3.47Å
46K59.3Low63Low174 Ų174138.5 Ų138.576%0.75774%0.735SS**G310 helixtrans-104.519.2-175.9-70.5-169.5179.3-175.80115A44A44-K46 VanDerWaalsContact C-N 3.34Å; A44-K46 PolarHBondContact O-N 2.96Å
47L59.5Low64.6Low132 Ų132140.4 Ų140.469%0.69173%0.731SS**  trans-101.434177.2-72.5171.7000113.7N49L47-N49 PolarHBondContact O-N 3.31Å
48R61.3Low66Low232 Ų232131.9 Ų131.988%0.87571%0.707SS**  trans-86.463.5159.9-74.5-168.6170.5-170-2.1110S50R48-S50 PolarHBondContact O-N 2.97Å
49N63.7Low67.4Low119 Ų119127.1 Ų127.164%0.63670%0.701SS**  trans-89.355.9171.7-65.9-21.6000109.9L47 A51L47-N49 PolarHBondContact O-N 3.31Å; N49-A51 PolarHBondContact O-N 3.38Å
50S67Low68.7Low81 Ų81127.4 Ų127.457%0.56670%0.698SS**  trans-68.8115.9163.5-174.30000107.5R48 K54R48-S50 PolarHBondContact O-N 2.97Å; S50-K54 VanDerWaalsContact O-CE 3.3Å; S50-K54 WeakPolarHBondContact O-CE 3.38Å
51A68.2Low70.3Confident78 Ų78123 Ų12365%0.64568%0.683SS**  trans-78.2-8.5178.500000112.5N49 G53 K54N49-A51 PolarHBondContact O-N 3.38Å; A51-G53 PolarHBondContact O-N 3.31Å; A51-G53 VanDerWaalsContact O-N 3.17Å; A51-K54 PolarHBondContact O-N 3.08Å; A51-K54 VanDerWaalsContact O-N 3.08Å
52K75.7Confident72Confident195 Ų195120.8 Ų120.885%0.84866%0.657SS**THydrogen-bonded Turntrans-65.2116.2-178.6-163.4168.3-175.7176.70109.6
53G77.1Confident73.5Confident86 Ų86119.8 Ų119.889%0.88765%0.646SS**THydrogen-bonded Turntrans83.85-177.900000115.4A51A51-G53 PolarHBondContact O-N 3.31Å; A51-G53 VanDerWaalsContact O-N 3.17Å
54K80.1Confident75Confident131 Ų131120.7 Ų120.757%0.5764%0.643SS**PPolyproline II helixtrans-96.6128.7173.6-61-167.1-176.7-176.40110.4S50 A51S50-K54 VanDerWaalsContact O-CE 3.3Å; S50-K54 WeakPolarHBondContact O-CE 3.38Å; A51-K54 PolarHBondContact O-N 3.08Å; A51-K54 VanDerWaalsContact O-N 3.08Å
55V81.1Confident76.8Confident126 Ų126124.5 Ų124.576%0.76465%0.645SS**PPolyproline II helixtrans-75.2125.6169.5-176.40000108.2K57V55-K57 PolarHBondContact O-N 3.34Å
56P82.2Confident78.3Confident121 Ų121124.8 Ų124.879%0.78664%0.638SS**PPolyproline II helixtrans-62.1122.3175.625.7-32.3000108.7
57K84.8Confident79.2Confident155 Ų155120.7 Ų120.767%0.67462%0.622SS**PPolyproline II helixtrans-86.2138.6172.7-67.4-173.8176.1-179.80109.4V55 A59 E62V55-K57 PolarHBondContact O-N 3.34Å; K57-A59 PolarHBondContact O-N 3.25Å; K57-E62 HydrophobicContact CB-CG 4.25Å; K57-E62 HydrophobicContact CD-CG 4.04Å; K57-E62 WeakPolarHBondContact CD-OE1 3.31Å; K57-E62 IonicContact NZ-OE1 2.82Å; K57-E62 PolarHBondContact NZ-OE1 2.69Å
58S89.7Confident79.7Confident51 Ų51119.8 Ų119.836%0.35763%0.626SS.*PPolyproline II helixtrans-60.8123.4168.9172.30000109.5L60 D61 E62S58-L60 PolarHBondContact O-N 2.96Å; S58-L60 PolarHBondContact OG-N 3.22Å; S58-D61 WeakPolarHBondContact CB-OD2 3.4Å; S58-D61 PolarHBondContact O-N 2.8Å; S58-D61 VanDerWaalsContact O-N 3.15Å; S58-D61 PolarHBondContact OG-N 2.68Å; S58-E62 PolarHBondContact O-N 2.73Å; S58-E62 VanDerWaalsContact O-N 3.09Å
59A88.6Confident80.7Confident81 Ų81117.9 Ų117.967%0.66962%0.618SS**Hα-helixtrans-59-31.6173.900000111.3K57 Y63K57-A59 PolarHBondContact O-N 3.25Å; A59-Y63 VanDerWaalsContact O-CB 3.23Å; A59-Y63 WeakPolarHBondContact O-CB 3.35Å; A59-Y63 PolarHBondContact O-N 2.83Å
60L86.3Confident81.6Confident115 Ų115118.4 Ų118.460%0.60262%0.621SS**Hα-helixtrans-69.9-39.4177.1-60.6178.4000111.8S58 Y63 R64S58-L60 PolarHBondContact O-N 2.96Å; S58-L60 PolarHBondContact OG-N 3.22Å; L60-Y63 PolarHBondContact O-N 2.78Å; L60-R64 WeakPolarHBondContact O-CB 3.45Å; L60-R64 VanDerWaalsContact O-CG 3.3Å; L60-R64 WeakPolarHBondContact O-CG 3.25Å; L60-R64 PolarHBondContact O-N 3.26Å
61D87.4Confident82.6Confident81 Ų81117.4 Ų117.443%0.43361%0.607SS.*Hα-helixtrans-71.7-38.9-180-63.4-24.3000111.6S58 Y63 K65S58-D61 WeakPolarHBondContact CB-OD2 3.4Å; S58-D61 PolarHBondContact O-N 2.8Å; S58-D61 VanDerWaalsContact O-N 3.15Å; S58-D61 PolarHBondContact OG-N 2.68Å; D61-Y63 VanDerWaalsContact C-N 3.34Å; D61-K65 VanDerWaalsContact O-CG 3.29Å; D61-K65 WeakPolarHBondContact O-CG 3.5Å; D61-K65 PolarHBondContact O-N 3.2Å; D61-K65 VanDerWaalsContact O-N 3.15Å
62E89.8Confident83.6Confident43 Ų43118.4 Ų118.420%0.20160%0.601CS.*Hα-helixtrans-65.3-38.6171.9-81.6-80.5158.400111.7K57 S58 K65 R66K57-E62 HydrophobicContact CB-CG 4.25Å; K57-E62 HydrophobicContact CD-CG 4.04Å; K57-E62 WeakPolarHBondContact CD-OE1 3.31Å; K57-E62 IonicContact NZ-OE1 2.82Å; K57-E62 PolarHBondContact NZ-OE1 2.69Å; S58-E62 PolarHBondContact O-N 2.73Å; S58-E62 VanDerWaalsContact O-N 3.09Å; E62-K65 PolarHBondContact O-N 3.05Å; E62-R66 VanDerWaalsContact O-CG 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.46Å; E62-R66 PolarHBondContact O-N 3.2Å; E62-R66 IonicContact OE2-CZ 3.46Å; E62-R66 IonicContact OE2-NE 3.24Å; E62-R66 PolarHBondContact OE2-NE 3.42Å; E62-R66 IonicContact OE2-NH2 2.84Å; E62-R66 PolarHBondContact OE2-NH2 3.46Å
63Y85.2Confident84.4Confident110 Ų110119.5 Ų119.543%0.43160%0.6SS.*Hα-helixtrans-64.1-47.7175.5178-106.9000111.7A59 L60 D61 K65 R66 E67 H71A59-Y63 VanDerWaalsContact O-CB 3.23Å; A59-Y63 WeakPolarHBondContact O-CB 3.35Å; A59-Y63 PolarHBondContact O-N 2.83Å; L60-Y63 PolarHBondContact O-N 2.78Å; D61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-K65 VanDerWaalsContact C-N 3.27Å; Y63-K65 PolarHBondContact O-N 3.11Å; Y63-R66 PolarHBondContact O-N 2.9Å; Y63-R66 VanDerWaalsContact O-N 3.12Å; Y63-E67 HydrophobicContact CD2-CB 4.27Å; Y63-E67 HydrophobicContact CD2-CG 4.24Å; Y63-E67 HydrophobicContact CE2-CB 3.88Å; Y63-E67 HydrophobicContact CE2-CG 3.83Å; Y63-E67 PolarHBondContact O-N 3.48Å; Y63-H71 PolarHBondContact OH-CD2 2.79Å; Y63-H71 PolarHBondContact OH-NE2 3.27Å
64R85.5Confident85.1Confident168 Ų168120 Ų12063%0.63459%0.586SS**Hα-helixtrans-58.9-35.1177.1-75.3172.5179179-2113.1L60 C68L60-R64 WeakPolarHBondContact O-CB 3.45Å; L60-R64 VanDerWaalsContact O-CG 3.3Å; L60-R64 WeakPolarHBondContact O-CG 3.25Å; L60-R64 PolarHBondContact O-N 3.26Å; R64-C68 PolarHBondContact O-SG 3.18Å
65K86.4Confident85.7Confident156 Ų156117.9 Ų117.968%0.67858%0.581SS**Hα-helixtrans-70.1-34.5176.5-73.6175-175-174.70113.4D61 E62 Y63D61-K65 VanDerWaalsContact O-CG 3.29Å; D61-K65 WeakPolarHBondContact O-CG 3.5Å; D61-K65 PolarHBondContact O-N 3.2Å; D61-K65 VanDerWaalsContact O-N 3.15Å; E62-K65 PolarHBondContact O-N 3.05Å; Y63-K65 VanDerWaalsContact C-N 3.27Å; Y63-K65 PolarHBondContact O-N 3.11Å
66R85.4Confident86.2Confident185 Ų185116 Ų11670%0.69857%0.566SS**Hα-helixtrans-87.8-42.7-175.5-68174.4-169-156.52.9112E62 Y63E62-R66 VanDerWaalsContact O-CG 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.46Å; E62-R66 PolarHBondContact O-N 3.2Å; E62-R66 IonicContact OE2-CZ 3.46Å; E62-R66 IonicContact OE2-NE 3.24Å; E62-R66 PolarHBondContact OE2-NE 3.42Å; E62-R66 IonicContact OE2-NH2 2.84Å; E62-R66 PolarHBondContact OE2-NH2 3.46Å; Y63-R66 PolarHBondContact O-N 2.9Å; Y63-R66 VanDerWaalsContact O-N 3.12Å
67E77.8Confident86.7Confident88 Ų88117.7 Ų117.741%0.41156%0.561SS.*  trans-11678.2-176.9-65.7-72.1163.800107.2Y63 R69Y63-E67 HydrophobicContact CD2-CB 4.27Å; Y63-E67 HydrophobicContact CD2-CG 4.24Å; Y63-E67 HydrophobicContact CE2-CB 3.88Å; Y63-E67 HydrophobicContact CE2-CG 3.83Å; Y63-E67 PolarHBondContact O-N 3.48Å; E67-R69 PolarHBondContact O-N 3.05Å
68C69.7Low86.9Confident114 Ų114115.9 Ų115.977%0.7755%0.553SS**  trans-71.945.5172.4-65.70000111.3R64R64-C68 PolarHBondContact O-SG 3.18Å
69R82.6Confident86.7Confident191 Ų191119.7 Ų119.772%0.72157%0.569SS**  trans-121.2136.5-177.2-68.1-177.6175.2179.50.1109.9E67 H71E67-R69 PolarHBondContact O-N 3.05Å; R69-H71 PolarHBondContact O-CD2 2.99Å; R69-H71 VanDerWaalsContact O-CD2 3.28Å; R69-H71 PolarHBondContact O-N 3.23Å
70D83.7Confident86.5Confident131 Ų131120.8 Ų120.870%0.70157%0.567SS**  trans-78.9118.5174.7-174.811.8000110.5L72D70-L72 WeakPolarHBondContact OD1-CB 3.45Å; D70-L72 PolarHBondContact OD1-N 3.3Å
71H87.8Confident86.4Confident59 Ų59124 Ų12427%0.27357%0.572SS.*  trans-97.42.1176.3-66.9-77.5000112.9Y63 R69 R73 V74 N75Y63-H71 PolarHBondContact OH-CD2 2.79Å; Y63-H71 PolarHBondContact OH-NE2 3.27Å; R69-H71 PolarHBondContact O-CD2 2.99Å; R69-H71 VanDerWaalsContact O-CD2 3.28Å; R69-H71 PolarHBondContact O-N 3.23Å; H71-R73 VanDerWaalsContact C-N 3.3Å; H71-R73 PolarHBondContact O-N 3.35Å; H71-V74 PolarHBondContact O-N 3.02Å; H71-V74 VanDerWaalsContact O-N 3.1Å; H71-N75 WeakPolarHBondContact O-CB 3.45Å; H71-N75 VanDerWaalsContact O-CG 3.25Å; H71-N75 PolarHBondContact O-N 2.79Å
72L89.8Confident85.5Confident99 Ų99126.2 Ų126.252%0.51859%0.588SS.*Hα-helixtrans-51.9-48.2-176.7178.961.5000111.6D70 V74 N75 L76D70-L72 WeakPolarHBondContact OD1-CB 3.45Å; D70-L72 PolarHBondContact OD1-N 3.3Å; L72-V74 PolarHBondContact O-N 3.24Å; L72-N75 PolarHBondContact O-N 3.4Å; L72-L76 HydrophobicContact CD1-CD1 3.87Å; L72-L76 HydrophobicContact CD1-CG 3.92Å; L72-L76 HydrophobicContact CG-CD1 3.83Å; L72-L76 HydrophobicContact CG-CG 4.29Å; L72-L76 VanDerWaalsContact O-CB 3.3Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 VanDerWaalsContact O-CG 3.24Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.83Å
73R91.6Very high84.4Confident219 Ų219131.8 Ų131.883%0.82661%0.607SS**Hα-helixtrans-64.3-38.8-178.8-165.4174.9-175.5-177.52113.1H71 K77H71-R73 VanDerWaalsContact C-N 3.3Å; H71-R73 PolarHBondContact O-N 3.35Å; R73-K77 VanDerWaalsContact O-CB 3.3Å; R73-K77 WeakPolarHBondContact O-CB 3.43Å; R73-K77 PolarHBondContact O-N 3.2Å
74V92.5Very high83.4Confident96 Ų96130.6 Ų130.658%0.58262%0.615SS**Hα-helixtrans-70.1-42.6178.2179.20000110.4H71 L72 K77 F78H71-V74 PolarHBondContact O-N 3.02Å; H71-V74 VanDerWaalsContact O-N 3.1Å; L72-V74 PolarHBondContact O-N 3.24Å; V74-K77 PolarHBondContact O-N 3.29Å; V74-F78 WeakPolarHBondContact O-CB 3.5Å; V74-F78 PolarHBondContact O-N 3.13Å
75N91.6Very high82.6Confident87 Ų87129.3 Ų129.347%0.46563%0.626SS.*Hα-helixtrans-66.6-45.2178.4-68.7-12.3000111.4H71 L72 K77 F78 L79H71-N75 WeakPolarHBondContact O-CB 3.45Å; H71-N75 VanDerWaalsContact O-CG 3.25Å; H71-N75 PolarHBondContact O-N 2.79Å; L72-N75 PolarHBondContact O-N 3.4Å; N75-K77 PolarHBondContact O-N 3.41Å; N75-F78 WeakPolarHBondContact O-CB 3.48Å; N75-F78 PolarHBondContact O-N 3.39Å; N75-F78 VanDerWaalsContact O-N 3.07Å; N75-L79 WeakPolarHBondContact O-CB 3.42Å; N75-L79 VanDerWaalsContact O-CG 3.3Å; N75-L79 WeakPolarHBondContact O-CG 3.49Å; N75-L79 PolarHBondContact O-N 2.9Å
76L92.4Very high82.1Confident86 Ų86125.1 Ų125.145%0.4561%0.613SS.*Hα-helixtrans-58.1-50173.9-75.4174.9000110.1L72 F78 L79 T80L72-L76 HydrophobicContact CD1-CD1 3.87Å; L72-L76 HydrophobicContact CD1-CG 3.92Å; L72-L76 HydrophobicContact CG-CD1 3.83Å; L72-L76 HydrophobicContact CG-CG 4.29Å; L72-L76 VanDerWaalsContact O-CB 3.3Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 VanDerWaalsContact O-CG 3.24Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.83Å; L76-F78 PolarHBondContact O-N 3Å; L76-L79 PolarHBondContact O-N 3.06Å; L76-L79 VanDerWaalsContact O-N 3.15Å; L76-T80 WeakPolarHBondContact O-CB 3.39Å; L76-T80 WeakPolarHBondContact O-CG2 3.47Å; L76-T80 PolarHBondContact O-N 2.85Å; L76-T80 PolarHBondContact O-OG1 3.17Å
77K92.4Very high82Confident157 Ų157119 Ų11968%0.68360%0.602SS**Hα-helixtrans-57.1-34175.7-171.8177.3-1771780112.2R73 V74 N75 R81R73-K77 VanDerWaalsContact O-CB 3.3Å; R73-K77 WeakPolarHBondContact O-CB 3.43Å; R73-K77 PolarHBondContact O-N 3.2Å; V74-K77 PolarHBondContact O-N 3.29Å; N75-K77 PolarHBondContact O-N 3.41Å; K77-R81 WeakPolarHBondContact O-CB 3.4Å; K77-R81 PolarHBondContact O-N 3.01Å
78F88.5Confident82.3Confident116 Ų116121.3 Ų121.351%0.50961%0.613SS.*Hα-helixtrans-75.1-39.7177.6177.7-84.7000113.1V74 N75 L76V74-F78 WeakPolarHBondContact O-CB 3.5Å; V74-F78 PolarHBondContact O-N 3.13Å; N75-F78 WeakPolarHBondContact O-CB 3.48Å; N75-F78 PolarHBondContact O-N 3.39Å; N75-F78 VanDerWaalsContact O-N 3.07Å; L76-F78 PolarHBondContact O-N 3Å
79L86.3Confident83.1Confident132 Ų132119.3 Ų119.369%0.69160%0.6SS**Hα-helixtrans-75.4-39.7-179-70.9171.5000112.1N75 L76 R81N75-L79 WeakPolarHBondContact O-CB 3.42Å; N75-L79 VanDerWaalsContact O-CG 3.3Å; N75-L79 WeakPolarHBondContact O-CG 3.49Å; N75-L79 PolarHBondContact O-N 2.9Å; L76-L79 PolarHBondContact O-N 3.06Å; L76-L79 VanDerWaalsContact O-N 3.15Å; L79-R81 VanDerWaalsContact C-N 3.35Å
80T84.9Confident83.3Confident104 Ų104111 Ų11164%0.63857%0.57SS**Hα-helixtrans-83.8-12.5179.463.70000113L76 T82L76-T80 WeakPolarHBondContact O-CB 3.39Å; L76-T80 WeakPolarHBondContact O-CG2 3.47Å; L76-T80 PolarHBondContact O-N 2.85Å; L76-T80 PolarHBondContact O-OG1 3.17Å; T80-T82 PolarHBondContact O-N 3.02Å
81R84.2Confident83.4Confident183 Ų183106.9 Ų106.969%0.69155%0.552SS**SBendtrans-63.3111.5170.9-171.8169.6-176.1173.7-0.2108.2K77 L79 R83K77-R81 WeakPolarHBondContact O-CB 3.4Å; K77-R81 PolarHBondContact O-N 3.01Å; L79-R81 VanDerWaalsContact C-N 3.35Å; R81-R83 WeakPolarHBondContact O-CG 3.44Å; R81-R83 PolarHBondContact O-N 3.24Å
82T66.6Low83.4Confident126 Ų126107.8 Ų107.877%0.77356%0.556SS**  trans-56.6120.1170.944.30000108.6T80T80-T82 PolarHBondContact O-N 3.02Å
83R67Low83.4Confident161 Ų161105.8 Ų105.861%0.60854%0.544SS*.  trans-104.929.6-178.7-66.8-173.5179-148.9-13.7112.7R81 T85R81-R83 WeakPolarHBondContact O-CG 3.44Å; R81-R83 PolarHBondContact O-N 3.24Å; R83-T85 VanDerWaalsContact C-N 3.34Å; R83-T85 PolarHBondContact O-N 3.43Å
84S64.6Low83.2Confident84 Ų8498.7 Ų98.759%0.58752%0.522SS*.  trans-76.995.9165.556.80000107.3V86S84-V86 WeakPolarHBondContact CB-O 3.45Å; S84-V86 PolarHBondContact O-N 3.17Å
85T69.4Low83Confident142 Ų14299.7 Ų99.787%0.87152%0.524SS*.  trans-61.9-19.3167.451.10000111.6R83R83-T85 VanDerWaalsContact C-N 3.34Å; R83-T85 PolarHBondContact O-N 3.43Å
86V74.8Confident82.8Confident67 Ų67104.2 Ų104.241%0.40653%0.534SS..SBendtrans-97.2135.6-179.6178.40000109.1S84 V90S84-V86 WeakPolarHBondContact CB-O 3.45Å; S84-V86 PolarHBondContact O-N 3.17Å; V86-V90 HydrophobicContact CG1-CB 3.49Å; V86-V90 VanDerWaalsContact CG1-CB 3.49Å; V86-V90 HydrophobicContact CG1-CG1 3.45Å; V86-V90 VanDerWaalsContact CG1-CG1 3.45Å; V86-V90 HydrophobicContact CG1-CG2 4.4Å
87A83.9Confident82.5Confident57 Ų57102.4 Ų102.447%0.47152%0.524SS..  trans-54.7143.117500000110.9S89 V90 S91A87-S89 PolarHBondContact O-N 3.05Å; A87-V90 HydrophobicContact CB-CG2 4.37Å; A87-V90 PolarHBondContact O-N 3.49Å; A87-S91 PolarHBondContact O-N 2.94Å
88E83.9Confident82.2Confident136 Ų13697.6 Ų97.664%0.63651%0.505SS*.Hα-helixtrans-60.2-31.6-177.7-165-178.7163.500112.5V90 S91 Q92E88-V90 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.5Å; E88-S91 WeakPolarHBondContact CA-OG 3.17Å; E88-S91 PolarHBondContact O-N 3.3Å; E88-S91 PolarHBondContact O-OG 3.33Å; E88-Q92 HydrophobicContact CG-CG 4.47Å; E88-Q92 WeakPolarHBondContact O-CB 3.3Å; E88-Q92 VanDerWaalsContact O-CG 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.44Å; E88-Q92 PolarHBondContact O-N 2.97Å; E88-Q92 PolarHBondContact OE1-NE2 3.23Å
89S86.4Confident82.1Confident73 Ų73101 Ų10151%0.5152%0.515SS..Hα-helixtrans-57.4-43.5173.253.60000112.5A87 Q92 Q93A87-S89 PolarHBondContact O-N 3.05Å; S89-Q92 PolarHBondContact O-N 2.93Å; S89-Q93 WeakPolarHBondContact O-CB 3.43Å; S89-Q93 PolarHBondContact O-N 3.02Å
90V86.3Confident82Confident15 Ų1596.6 Ų96.69%0.09150%0.501CS..Hα-helixtrans-71.6-40.3-178.8175.90000110.7L13 S16 V86 A87 E88 Q93 I94L13-V90 HydrophobicContact CD2-CG1 3.49Å; L13-V90 VanDerWaalsContact CD2-CG1 3.49Å; S16-V90 WeakPolarHBondContact OG-CG2 3.47Å; V86-V90 HydrophobicContact CG1-CB 3.49Å; V86-V90 VanDerWaalsContact CG1-CB 3.49Å; V86-V90 HydrophobicContact CG1-CG1 3.45Å; V86-V90 VanDerWaalsContact CG1-CG1 3.45Å; V86-V90 HydrophobicContact CG1-CG2 4.4Å; A87-V90 HydrophobicContact CB-CG2 4.37Å; A87-V90 PolarHBondContact O-N 3.49Å; E88-V90 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.5Å; V90-Q93 WeakPolarHBondContact O-CB 3.3Å; V90-Q93 PolarHBondContact O-N 3.4Å; V90-I94 HydrophobicContact CG1-CD1 4.11Å; V90-I94 WeakPolarHBondContact O-CG1 3.39Å; V90-I94 PolarHBondContact O-N 2.94Å
91S86.7Confident82Confident45 Ų4599.2 Ų99.232%0.31550%0.499SS..Hα-helixtrans-64.6-41.6175.464.50000111.3A87 E88 Q93 I94 L95A87-S91 PolarHBondContact O-N 2.94Å; E88-S91 WeakPolarHBondContact CA-OG 3.17Å; E88-S91 PolarHBondContact O-N 3.3Å; E88-S91 PolarHBondContact O-OG 3.33Å; S91-Q93 VanDerWaalsContact C-N 3.34Å; S91-Q93 PolarHBondContact O-N 3.07Å; S91-I94 PolarHBondContact O-N 3.15Å; S91-L95 VanDerWaalsContact O-CG 3.31Å; S91-L95 WeakPolarHBondContact O-CG 3.44Å; S91-L95 PolarHBondContact O-N 3.49Å
92Q87.8Confident81.9Confident78 Ų7896.6 Ų96.636%0.36449%0.493SS..Hα-helixtrans-62-39.8172.8-71.7-178.817.300112.1E88 S89 L95 R96E88-Q92 HydrophobicContact CG-CG 4.47Å; E88-Q92 WeakPolarHBondContact O-CB 3.3Å; E88-Q92 VanDerWaalsContact O-CG 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.44Å; E88-Q92 PolarHBondContact O-N 2.97Å; E88-Q92 PolarHBondContact OE1-NE2 3.23Å; S89-Q92 PolarHBondContact O-N 2.93Å; Q92-L95 PolarHBondContact O-N 3Å; Q92-R96 WeakPolarHBondContact O-CB 3.34Å; Q92-R96 VanDerWaalsContact O-CG 3.27Å; Q92-R96 WeakPolarHBondContact O-CG 3.18Å; Q92-R96 PolarHBondContact O-N 2.82Å
93Q89.5Confident82.4Confident57 Ų5794.7 Ų94.727%0.26649%0.49SS..Hα-helixtrans-62.9-45.2176.8-171.8-176.9-2.200111.9L12 S89 V90 S91 L95 R96 Q97L12-Q93 PolarHBondContact O-NE2 3.08Å; L12-Q93 PolarHBondContact O-OE1 3.14Å; S89-Q93 WeakPolarHBondContact O-CB 3.43Å; S89-Q93 PolarHBondContact O-N 3.02Å; V90-Q93 WeakPolarHBondContact O-CB 3.3Å; V90-Q93 PolarHBondContact O-N 3.4Å; S91-Q93 VanDerWaalsContact C-N 3.34Å; S91-Q93 PolarHBondContact O-N 3.07Å; Q93-L95 PolarHBondContact O-N 3.18Å; Q93-R96 PolarHBondContact O-N 3.25Å; Q93-Q97 PolarHBondContact O-N 2.83Å
94I87.7Confident83Confident71 Ų7192.8 Ų92.836%0.36450%0.5SS..Hα-helixtrans-61.7-44.7175.3-66.5165.8000110.4L13 V90 S91 R96 Q97 N98L13-I94 HydrophobicContact CD2-CD1 4.44Å; V90-I94 HydrophobicContact CG1-CD1 4.11Å; V90-I94 WeakPolarHBondContact O-CG1 3.39Å; V90-I94 PolarHBondContact O-N 2.94Å; S91-I94 PolarHBondContact O-N 3.15Å; I94-R96 PolarHBondContact O-N 3.12Å; I94-Q97 PolarHBondContact O-N 3.38Å; I94-N98 PolarHBondContact O-N 3.13Å; I94-N98 VanDerWaalsContact O-N 3.08Å; I94-N98 PolarHBondContact O-ND2 2.86Å
95L87.6Confident83.8Confident116 Ų11691.5 Ų91.561%0.60749%0.486SS*.Hα-helixtrans-61.1-43.9177.9-72.8175.1000111.8S91 Q92 Q93 N98 R99S91-L95 VanDerWaalsContact O-CG 3.31Å; S91-L95 WeakPolarHBondContact O-CG 3.44Å; S91-L95 PolarHBondContact O-N 3.49Å; Q92-L95 PolarHBondContact O-N 3Å; Q93-L95 PolarHBondContact O-N 3.18Å; L95-N98 PolarHBondContact O-N 2.9Å; L95-R99 PolarHBondContact O-N 3.4Å
96R87.7Confident84.3Confident182 Ų18293 Ų9369%0.68748%0.476SS*.Hα-helixtrans-62-43.9177-73174.2-171.4-1685.4112Q92 Q93 I94 N98 R99Q92-R96 WeakPolarHBondContact O-CB 3.34Å; Q92-R96 VanDerWaalsContact O-CG 3.27Å; Q92-R96 WeakPolarHBondContact O-CG 3.18Å; Q92-R96 PolarHBondContact O-N 2.82Å; Q93-R96 PolarHBondContact O-N 3.25Å; I94-R96 PolarHBondContact O-N 3.12Å; R96-N98 VanDerWaalsContact C-N 3.28Å; R96-N98 PolarHBondContact O-N 2.97Å; R96-R99 WeakPolarHBondContact O-CB 3.44Å; R96-R99 PolarHBondContact O-N 3.1Å
97Q87Confident84.3Confident49 Ų4995.6 Ų95.623%0.22950%0.495CS..Hα-helixtrans-64.3-33.7178.8-167.2-139.99.600112.7L12 Q93 I94L12-Q97 HydrophobicContact CD1-CG 4.1Å; L12-Q97 VanDerWaalsContact CD1-NE2 3.29Å; L12-Q97 HydrophobicContact CD2-CB 4.19Å; L12-Q97 HydrophobicContact CD2-CG 3.8Å; Q93-Q97 PolarHBondContact O-N 2.83Å; I94-Q97 PolarHBondContact O-N 3.38Å
98N86.2Confident83.5Confident55 Ų5598.4 Ų98.429%0.29451%0.506SS..Hα-helixtrans-89.8-8.3-179.2-72.1-76.1000113.7I94 L95 R96 R101I94-N98 PolarHBondContact O-N 3.13Å; I94-N98 VanDerWaalsContact O-N 3.08Å; I94-N98 PolarHBondContact O-ND2 2.86Å; L95-N98 PolarHBondContact O-N 2.9Å; R96-N98 VanDerWaalsContact C-N 3.28Å; R96-N98 PolarHBondContact O-N 2.97Å; N98-R101 WeakPolarHBondContact O-CB 3.42Å; N98-R101 PolarHBondContact O-N 3.15Å
99R86.6Confident82.7Confident188 Ų18895.7 Ų95.771%0.70951%0.506SS*.THydrogen-bonded Turntrans-59.5136.3179.3-167.1178-179.7-176.30.2110.6L95 R96 R101 D105L95-R99 PolarHBondContact O-N 3.4Å; R96-R99 WeakPolarHBondContact O-CB 3.44Å; R96-R99 PolarHBondContact O-N 3.1Å; R99-R101 VanDerWaalsContact C-N 3.33Å; R99-D105 WeakPolarHBondContact CA-OD2 3.43Å; R99-D105 HydrophobicContact CG-CB 4.32Å
100G83.5Confident81.6Confident40 Ų40100.6 Ų100.641%0.41252%0.519SS..THydrogen-bonded Turntrans91.6-9.6178.800000113.9D105G100-D105 VanDerWaalsContact N-CB 3.25Å; G100-D105 VanDerWaalsContact N-CG 3.34Å; G100-D105 PolarHBondContact N-OD2 3.41Å
101R83.6Confident80.4Confident158 Ų158105.2 Ų105.260%0.59655%0.547SS*.SBendtrans-80.9-30.1172.7-62.8-176.2175.3-142.1-2112.1N98 R99N98-R101 WeakPolarHBondContact O-CB 3.42Å; N98-R101 PolarHBondContact O-N 3.15Å; R99-R101 VanDerWaalsContact C-N 3.33Å
102K83.4Confident79.2Confident129 Ų129112 Ų11256%0.56157%0.571SS**SBendtrans-86.5145.5178.4-58.2-179.8-179.2179.40109.9C104 D105K102-C104 PolarHBondContact O-N 3.25Å; K102-D105 WeakPolarHBondContact CB-OD2 3.3Å; K102-D105 PolarHBondContact N-OD2 2.87Å; K102-D105 WeakPolarHBondContact O-CB 3.24Å; K102-D105 PolarHBondContact O-N 2.79Å
103A77.8Confident78Confident85 Ų85117.2 Ų117.270%0.70259%0.592SS**G310 helixtrans-57.5-33.8173.100000112.1D105 R106A103-D105 PolarHBondContact O-N 3.33Å; A103-R106 PolarHBondContact O-N 3.17Å
104C79.5Confident76.7Confident121 Ų121123.6 Ų123.682%0.81862%0.619SS**G310 helixtrans-62.6-25.1175.9-53.20000114K102K102-C104 PolarHBondContact O-N 3.25Å
105D81.6Confident75.6Confident57 Ų57130 Ų13031%0.30564%0.644SS.*G310 helixtrans-82.8-17.9-179.6-59.4-37000112.2R99 G100 K102 A103R99-D105 WeakPolarHBondContact CA-OD2 3.43Å; R99-D105 HydrophobicContact CG-CB 4.32Å; G100-D105 VanDerWaalsContact N-CB 3.25Å; G100-D105 VanDerWaalsContact N-CG 3.34Å; G100-D105 PolarHBondContact N-OD2 3.41Å; K102-D105 WeakPolarHBondContact CB-OD2 3.3Å; K102-D105 PolarHBondContact N-OD2 2.87Å; K102-D105 WeakPolarHBondContact O-CB 3.24Å; K102-D105 PolarHBondContact O-N 2.79Å; A103-D105 PolarHBondContact O-N 3.33Å
106R79.8Confident74.4Confident175 Ų175131.9 Ų131.966%0.6665%0.647SS**SBendtrans-77.3122.5175.1-67.9-176.3-176.7172.20.1107.4A103 V108A103-R106 PolarHBondContact O-N 3.17Å; R106-V108 PolarHBondContact O-N 2.83Å
107P73.7Confident73.2Confident121 Ų121128.5 Ų128.579%0.78666%0.658SS**  trans-58.4116.7167.725.5-31.1000106.4A109P107-A109 PolarHBondContact O-N 3.12Å
108V68.3Low72.1Confident116 Ų116133.4 Ų133.470%0.70368%0.681SS**  trans-63.597.9167.8-178.40000103.8R106 K110R106-V108 PolarHBondContact O-N 2.83Å; V108-K110 HydrophobicContact CB-CG 4.48Å; V108-K110 HydrophobicContact CG1-CG 3.95Å; V108-K110 PolarHBondContact O-N 3.45Å
109A65.3Low71.2Confident79 Ų79134.4 Ų134.465%0.65370%0.704SS**  trans-59.389.9164.600000104.5P107 T111P107-A109 PolarHBondContact O-N 3.12Å; A109-T111 PolarHBondContact O-N 3.06Å
110K64.3Low70.5Confident176 Ų176130.7 Ų130.777%0.76570%0.703SS**  trans-69.573.6167.6-64.2-163.7-175.3-175.40104.5V108 K112V108-K110 HydrophobicContact CB-CG 4.48Å; V108-K110 HydrophobicContact CG1-CG 3.95Å; V108-K110 PolarHBondContact O-N 3.45Å; K110-K112 PolarHBondContact O-N 2.95Å
111T61.2Low70Confident111 Ų111135.3 Ų135.368%0.68172%0.722SS**  trans-58.396.2147.5480000102.8A109 K113A109-T111 PolarHBondContact O-N 3.06Å; T111-K113 PolarHBondContact O-N 3Å
112K61.8Low69.7Low188 Ų188134 Ų13482%0.81772%0.721SS**  trans-5688.8159.9-68.9178.5179.5178.10103.1K110 K114K110-K112 PolarHBondContact O-N 2.95Å; K112-K114 PolarHBondContact O-N 3.28Å
113K62.1Low69.8Low187 Ų187131.4 Ų131.481%0.81372%0.716SS**  trans-54.4102.3157.5-79.1-169.5177.1-175.80101.8T111 K115T111-K113 PolarHBondContact O-N 3Å; K113-K115 PolarHBondContact O-N 2.82Å
114K62Low70Confident191 Ų191134 Ų13483%0.8371%0.714SS**  trans-47.8114.4170.9-67.5-179.4177.9-178.40102.9K112 K116K112-K114 PolarHBondContact O-N 3.28Å; K114-K116 PolarHBondContact O-N 2.83Å
115K64.3Low70.3Confident205 Ų205134.5 Ų134.589%0.89170%0.704SS**  trans-56.4104.9170.7-73.1-175.4176.5-175.20103K113 A117K113-K115 PolarHBondContact O-N 2.82Å; K115-A117 PolarHBondContact O-N 3.06Å
116K63.9Low70.6Confident157 Ų157134.4 Ų134.468%0.68370%0.704SS**  trans-58129.5167.3-71.9-157.4173.4-167.70104.5K114 E118K114-K116 PolarHBondContact O-N 2.83Å; K116-E118 HydrophobicContact CB-CB 4.39Å; K116-E118 HydrophobicContact CB-CG 4.31Å; K116-E118 PolarHBondContact O-N 3.28Å
117A62Low70.9Confident110 Ų110131.9 Ų131.991%0.90970%0.698SS**SBendtrans-7268.5171.300000107.4K115K115-A117 PolarHBondContact O-N 3.06Å
118E64.1Low71.7Confident153 Ų153131.2 Ų131.272%0.71568%0.684SS**  trans-132.567.7175.8-71.8172-154.500104.5K116K116-E118 HydrophobicContact CB-CB 4.39Å; K116-E118 HydrophobicContact CB-CG 4.31Å; K116-E118 PolarHBondContact O-N 3.28Å
119G66.8Low72.7Confident75 Ų75131.5 Ų131.577%0.77368%0.676SS**  trans-103.6-0.9-177.300000113.7
120T70.9Confident73.9Confident111 Ų111132.7 Ų132.768%0.68167%0.666SS**  trans-144127.4-177.4-27.90000108.7F122T120-F122 WeakPolarHBondContact CB-O 3.41Å; T120-F122 PolarHBondContact O-N 3.45Å
121V74.3Confident75.2Confident136 Ų136129.9 Ų129.982%0.82466%0.656SS**SBendtrans-67.8-22.4176.5177.20000111.1
122F76.8Confident76.5Confident132 Ų132131 Ų13158%0.57965%0.653SS**SBendtrans-103.5133.5177.5-58.3-74.7000110.6T120 D126 F127T120-F122 WeakPolarHBondContact CB-O 3.41Å; T120-F122 PolarHBondContact O-N 3.45Å; F122-D126 HydrophobicContact CB-CB 4.49Å; F122-D126 HydrophobicContact CD1-CB 4.35Å; F122-F127 HydrophobicContact CB-CE2 4.28Å
123T85.7Confident77.9Confident74 Ų74129.3 Ų129.345%0.45465%0.649SS.*  trans-92.4162.9171.961.30000110.3E125 D126 F127T123-E125 PolarHBondContact O-N 2.89Å; T123-D126 PolarHBondContact N-OD2 3.15Å; T123-D126 WeakPolarHBondContact O-CB 3.07Å; T123-D126 PolarHBondContact O-N 3.27Å; T123-D126 PolarHBondContact OG1-OD2 3.27Å; T123-F127 PolarHBondContact O-N 3.23Å
124E82.2Confident79.1Confident139 Ų139127.5 Ų127.565%0.6564%0.638SS**Hα-helixtrans-56.7-31.7175.1-168.864.2-157.400111.7D126 F127 Q128E124-D126 VanDerWaalsContact C-N 3.3Å; E124-D126 PolarHBondContact O-N 3.31Å; E124-F127 WeakPolarHBondContact O-CB 3.23Å; E124-F127 PolarHBondContact O-N 3.09Å; E124-Q128 PolarHBondContact O-N 3.12Å; E124-Q128 VanDerWaalsContact O-N 3.17Å
125E85.8Confident80.2Confident132 Ų132125.9 Ų125.962%0.61763%0.631SS**Hα-helixtrans-64.2-34.1176.2-59.3-179.5-171.100112.3T123 F127 Q128 K129T123-E125 PolarHBondContact O-N 2.89Å; E125-F127 VanDerWaalsContact C-N 3.33Å; E125-Q128 PolarHBondContact O-N 3.36Å; E125-K129 WeakPolarHBondContact O-CG 3.28Å; E125-K129 PolarHBondContact O-N 2.98Å; E125-K129 VanDerWaalsContact O-N 3.13Å
126D88.3Confident80.5Confident55 Ų55118.7 Ų118.729%0.29462%0.615SS.*Hα-helixtrans-70-34177.8-58.6-45.1000111.2F122 T123 E124 K129 F130F122-D126 HydrophobicContact CB-CB 4.49Å; F122-D126 HydrophobicContact CD1-CB 4.35Å; T123-D126 PolarHBondContact N-OD2 3.15Å; T123-D126 WeakPolarHBondContact O-CB 3.07Å; T123-D126 PolarHBondContact O-N 3.27Å; T123-D126 PolarHBondContact OG1-OD2 3.27Å; E124-D126 VanDerWaalsContact C-N 3.3Å; E124-D126 PolarHBondContact O-N 3.31Å; D126-K129 PolarHBondContact O-N 2.95Å; D126-F130 PolarHBondContact O-N 3.24Å
127F85.3Confident80.2Confident121 Ų121119.5 Ų119.553%0.53164%0.64SS.*Hα-helixtrans-66.8-40.1173.8-92.2-88.4000112.2F122 T123 E124 E125 F130 Q131F122-F127 HydrophobicContact CB-CE2 4.28Å; T123-F127 PolarHBondContact O-N 3.23Å; E124-F127 WeakPolarHBondContact O-CB 3.23Å; E124-F127 PolarHBondContact O-N 3.09Å; E125-F127 VanDerWaalsContact C-N 3.33Å; F127-F130 PolarHBondContact O-N 3.26Å; F127-Q131 WeakPolarHBondContact O-CG 3.3Å; F127-Q131 PolarHBondContact O-N 3.15Å
128Q89.5Confident81.1Confident107 Ų107120 Ų12050%0.563%0.627SS.*Hα-helixtrans-65-40.7176.5-70.6-178.60.900112E124 E125 Q131 Q132E124-Q128 PolarHBondContact O-N 3.12Å; E124-Q128 VanDerWaalsContact O-N 3.17Å; E125-Q128 PolarHBondContact O-N 3.36Å; Q128-Q131 PolarHBondContact O-N 3.31Å; Q128-Q132 PolarHBondContact O-N 3.47Å
129K91Very high82Confident123 Ų123118.2 Ų118.254%0.53562%0.622SS.*Hα-helixtrans-60.2-46.4173.5-71.5171.6-172.2164.70111.5E125 D126 Q131 Q132 E133E125-K129 WeakPolarHBondContact O-CG 3.28Å; E125-K129 PolarHBondContact O-N 2.98Å; E125-K129 VanDerWaalsContact O-N 3.13Å; D126-K129 PolarHBondContact O-N 2.95Å; K129-Q131 VanDerWaalsContact C-N 3.31Å; K129-Q131 PolarHBondContact O-N 2.84Å; K129-Q132 PolarHBondContact O-N 3.18Å; K129-E133 WeakPolarHBondContact O-CB 3.47Å; K129-E133 PolarHBondContact O-N 2.82Å
130F89.6Confident82.9Confident103 Ų103120.6 Ų120.645%0.45261%0.614SS.*Hα-helixtrans-59.9-42.1176.9-175.6-90.4000111.9D126 F127 Q132 E133 Y134D126-F130 PolarHBondContact O-N 3.24Å; F127-F130 PolarHBondContact O-N 3.26Å; F130-Q132 PolarHBondContact O-N 3.22Å; F130-E133 PolarHBondContact O-N 3.18Å; F130-Y134 HydrophobicContact CD1-CD2 4.19Å; F130-Y134 AromaticContact CD2-CD2 3.61Å; F130-Y134 HydrophobicContact CD2-CD2 3.61Å; F130-Y134 AromaticContact CD2-CE2 3.54Å; F130-Y134 HydrophobicContact CD2-CE2 3.54Å; F130-Y134 AromaticContact CE1-CD2 3.97Å; F130-Y134 HydrophobicContact CE1-CD2 3.97Å; F130-Y134 HydrophobicContact CE1-CG 4.38Å; F130-Y134 AromaticContact CE2-CD2 3.37Å; F130-Y134 HydrophobicContact CE2-CD2 3.37Å; F130-Y134 AromaticContact CE2-CE2 3.14Å; F130-Y134 HydrophobicContact CE2-CE2 3.14Å; F130-Y134 HydrophobicContact CE2-CG 4.32Å; F130-Y134 AromaticContact CE2-CZ 3.95Å; F130-Y134 HydrophobicContact CG-CD2 4.03Å; F130-Y134 HydrophobicContact CG-CE2 4.4Å; F130-Y134 AromaticContact CZ-CD2 3.55Å; F130-Y134 HydrophobicContact CZ-CD2 3.55Å; F130-Y134 AromaticContact CZ-CE2 3.72Å; F130-Y134 HydrophobicContact CZ-CE2 3.72Å; F130-Y134 HydrophobicContact CZ-CG 4.08Å; F130-Y134 WeakPolarHBondContact O-CD2 3.29Å; F130-Y134 PolarHBondContact O-N 3.45Å; F130-Y134 VanDerWaalsContact O-N 3.12Å
131Q90.8Very high83.6Confident117 Ų117121.2 Ų121.255%0.54761%0.61SS.*Hα-helixtrans-60.9-45.4176.3-76.6-179.5-28.400112.1F127 Q128 K129 F135F127-Q131 WeakPolarHBondContact O-CG 3.3Å; F127-Q131 PolarHBondContact O-N 3.15Å; Q128-Q131 PolarHBondContact O-N 3.31Å; K129-Q131 VanDerWaalsContact C-N 3.31Å; K129-Q131 PolarHBondContact O-N 2.84Å; Q131-F135 WeakPolarHBondContact O-CA 3.12Å; Q131-F135 WeakPolarHBondContact O-CB 3.15Å; Q131-F135 PolarHBondContact O-N 3.08Å
132Q88.9Confident84.1Confident134 Ų134120.3 Ų120.363%0.62660%0.596SS**Hα-helixtrans-65.2-40.1177.8-72.7179.30.400112.5Q128 K129 F130 G136Q128-Q132 PolarHBondContact O-N 3.47Å; K129-Q132 PolarHBondContact O-N 3.18Å; F130-Q132 PolarHBondContact O-N 3.22Å; Q132-G136 WeakPolarHBondContact O-CA 3.3Å; Q132-G136 PolarHBondContact O-N 3.17Å
133E91.1Very high84.6Confident154 Ų154119.5 Ų119.572%0.7260%0.598SS**Hα-helixtrans-68.8-38.5-176.7-173.3166.6-17200112.7K129 F130K129-E133 WeakPolarHBondContact O-CB 3.47Å; K129-E133 PolarHBondContact O-N 2.82Å; F130-E133 PolarHBondContact O-N 3.18Å
134Y87.8Confident84.6Confident149 Ų149122.7 Ų122.758%0.58461%0.608SS**Hα-helixtrans-97-32.8-175.4-77.2-84000114.3F130F130-Y134 HydrophobicContact CD1-CD2 4.19Å; F130-Y134 AromaticContact CD2-CD2 3.61Å; F130-Y134 HydrophobicContact CD2-CD2 3.61Å; F130-Y134 AromaticContact CD2-CE2 3.54Å; F130-Y134 HydrophobicContact CD2-CE2 3.54Å; F130-Y134 AromaticContact CE1-CD2 3.97Å; F130-Y134 HydrophobicContact CE1-CD2 3.97Å; F130-Y134 HydrophobicContact CE1-CG 4.38Å; F130-Y134 AromaticContact CE2-CD2 3.37Å; F130-Y134 HydrophobicContact CE2-CD2 3.37Å; F130-Y134 AromaticContact CE2-CE2 3.14Å; F130-Y134 HydrophobicContact CE2-CE2 3.14Å; F130-Y134 HydrophobicContact CE2-CG 4.32Å; F130-Y134 AromaticContact CE2-CZ 3.95Å; F130-Y134 HydrophobicContact CG-CD2 4.03Å; F130-Y134 HydrophobicContact CG-CE2 4.4Å; F130-Y134 AromaticContact CZ-CD2 3.55Å; F130-Y134 HydrophobicContact CZ-CD2 3.55Å; F130-Y134 AromaticContact CZ-CE2 3.72Å; F130-Y134 HydrophobicContact CZ-CE2 3.72Å; F130-Y134 HydrophobicContact CZ-CG 4.08Å; F130-Y134 WeakPolarHBondContact O-CD2 3.29Å; F130-Y134 PolarHBondContact O-N 3.45Å; F130-Y134 VanDerWaalsContact O-N 3.12Å
135F85Confident84.7Confident157 Ų157121.5 Ų121.569%0.68961%0.605SS**Hα-helixtrans-107.7-7.3-177.3-60.2-77.8000113.1Q131 S137Q131-F135 WeakPolarHBondContact O-CA 3.12Å; Q131-F135 WeakPolarHBondContact O-CB 3.15Å; Q131-F135 PolarHBondContact O-N 3.08Å; F135-S137 VanDerWaalsContact C-N 3.26Å; F135-S137 PolarHBondContact O-N 3.25Å; F135-S137 VanDerWaalsContact O-N 3.13Å
136G70.9Confident84.6Confident54 Ų54120.6 Ų120.656%0.55760%0.604SS**  trans45.249.8169.200000113.3Q132Q132-G136 WeakPolarHBondContact O-CA 3.3Å; Q132-G136 PolarHBondContact O-N 3.17Å
137S57.6Low84.3Confident173 Ų173126.5 Ų126.5100%1.2163%0.632SS**  trans22.90-177.260.90000116.9F135F135-S137 VanDerWaalsContact C-N 3.26Å; F135-S137 PolarHBondContact O-N 3.25Å; F135-S137 VanDerWaalsContact O-N 3.13Å

Retrieved 137 of 137 residues in 205.8 ms (Link to these results)