A0A087WNU9_MOUSE Loading...

Abl interactor 2

AlphaFold DB , UniProt , Accession A0A087WNU9, Species MOUSE (Mus musculus, Mouse), Gene Abi2, Length 395 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
1D50.5Low47.5Very low207 Ų207120.8 Ų120.8100%1.10764%0.638SS**  0-26.40-88.6-123.9000115.9
2I39.8Very low47.5Very low178 Ų178113.5 Ų113.591%0.91360%0.597SS**  trans-126.2130.8167.1-58.4177.9000107.4
3G46.2Very low47.3Very low66 Ų66111.5 Ų111.568%0.6858%0.58SS**SBendtrans98.8150.4-171.300000114.4G5G3-G5 PolarHBondContact O-N 3.18Å
4H42.3Very low47.1Very low180 Ų180109.6 Ų109.683%0.83358%0.575SS**  trans-72.368.5-179.2-67.5104.5000112.2V6H4-V6 PolarHBondContact O-N 3.39Å
5G42.4Very low46.8Very low54 Ų54107.2 Ų107.256%0.55757%0.572SS**  trans-69.2127.2-179.400000112.9G3 K7G3-G5 PolarHBondContact O-N 3.18Å; G5-K7 PolarHBondContact O-N 2.74Å
6V51.1Low46.9Very low78 Ų78106 Ų10647%0.47357%0.57SS.*  trans-69.366.5177.6-164.50000111.7H4 W8 L9 L10H4-V6 PolarHBondContact O-N 3.39Å; V6-W8 PolarHBondContact O-N 3.32Å; V6-L9 HydrophobicContact CG1-CB 3.64Å; V6-L9 PolarHBondContact O-N 3.48Å; V6-L10 PolarHBondContact O-N 2.85Å
7K51.1Low46.7Very low178 Ų178109.8 Ų109.877%0.77458%0.583SS**Hα-helixtrans-62.2-26.5-174.3-72.8168.971.41720113.1G5 R11G5-K7 PolarHBondContact O-N 2.74Å; K7-R11 WeakPolarHBondContact O-CB 3.37Å; K7-R11 PolarHBondContact O-N 3.42Å; K7-R11 VanDerWaalsContact O-N 3.16Å
8W45.5Very low46.3Very low91 Ų91109.2 Ų109.235%0.34558%0.58SS.*Hα-helixtrans-71.4-52.2178.2-176.9101.6000111.3V6 L10 R11 F12 V339 I390V6-W8 PolarHBondContact O-N 3.32Å; W8-L10 VanDerWaalsContact C-N 3.29Å; W8-L10 PolarHBondContact O-N 2.75Å; W8-R11 WeakPolarHBondContact O-CA 3.46Å; W8-R11 WeakPolarHBondContact O-CB 3.14Å; W8-R11 PolarHBondContact O-N 3.44Å; W8-F12 HydrophobicContact CD2-CD2 4.04Å; W8-F12 AromaticContact CD2-CE2 3.96Å; W8-F12 HydrophobicContact CD2-CE2 3.96Å; W8-F12 AromaticContact CE2-CE2 3.57Å; W8-F12 HydrophobicContact CE3-CD2 4.36Å; W8-F12 HydrophobicContact CG-CD2 4.5Å; W8-F12 HydrophobicContact CG-CE2 4.24Å; W8-F12 HydrophobicContact CZ2-CD2 4.35Å; W8-F12 HydrophobicContact CZ2-CE2 4.01Å; W8-F12 AromaticContact NE1-CE2 3.6Å; W8-F12 VanDerWaalsContact O-CD2 3.3Å; W8-F12 WeakPolarHBondContact O-CD2 3.25Å; W8-F12 PolarHBondContact O-N 2.9Å; W8-V339 HydrophobicContact CH2-CB 3.8Å; W8-V339 HydrophobicContact CH2-CG1 3.41Å; W8-V339 VanDerWaalsContact CH2-CG1 3.41Å; W8-V339 HydrophobicContact CH2-CG2 4.25Å; W8-V339 HydrophobicContact CZ2-CB 4.5Å; W8-V339 HydrophobicContact CZ2-CG1 3.66Å; W8-I390 HydrophobicContact CH2-CG1 4.04Å; W8-I390 HydrophobicContact CZ3-CG1 4.21Å; W8-I390 HydrophobicContact CZ3-CG2 4.42Å
9L52Low46.3Very low53 Ų53112.5 Ų112.528%0.27759%0.594SS.*Hα-helixtrans-62.3-37.4179.2-171.765.2000111.6V6 R11 F12 K13V6-L9 HydrophobicContact CG1-CB 3.64Å; V6-L9 PolarHBondContact O-N 3.48Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 2.91Å; L9-F12 PolarHBondContact O-N 3.26Å; L9-K13 VanDerWaalsContact O-CB 3.29Å; L9-K13 WeakPolarHBondContact O-CB 3.28Å; L9-K13 PolarHBondContact O-N 3.37Å
10L49.3Very low46.1Very low95 Ų95116.5 Ų116.550%0.49761%0.606SS.*Hα-helixtrans-65.1-33.1174.3-131.573.2000112.7V6 W8 F12 V14V6-L10 PolarHBondContact O-N 2.85Å; W8-L10 VanDerWaalsContact C-N 3.29Å; W8-L10 PolarHBondContact O-N 2.75Å; L10-F12 VanDerWaalsContact C-N 3.26Å; L10-F12 PolarHBondContact O-N 3.2Å; L10-V14 WeakPolarHBondContact O-CB 3.37Å; L10-V14 VanDerWaalsContact O-CG2 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 2.69Å
11R52Low45.5Very low149 Ų149118.7 Ų118.756%0.56262%0.616SS**Hα-helixtrans-61.4-33.1175.9-160-170.4-152.4178.17.9112.7K7 W8 L9K7-R11 WeakPolarHBondContact O-CB 3.37Å; K7-R11 PolarHBondContact O-N 3.42Å; K7-R11 VanDerWaalsContact O-N 3.16Å; W8-R11 WeakPolarHBondContact O-CA 3.46Å; W8-R11 WeakPolarHBondContact O-CB 3.14Å; W8-R11 PolarHBondContact O-N 3.44Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 2.91Å
12F48Very low45.1Very low33 Ų33112.4 Ų112.415%0.14560%0.599CS.*Hα-helixtrans-94.1-36.8178.8-67.7-79.2000112.5W8 L9 L10 V14 S15 T16W8-F12 HydrophobicContact CD2-CD2 4.04Å; W8-F12 AromaticContact CD2-CE2 3.96Å; W8-F12 HydrophobicContact CD2-CE2 3.96Å; W8-F12 AromaticContact CE2-CE2 3.57Å; W8-F12 HydrophobicContact CE3-CD2 4.36Å; W8-F12 HydrophobicContact CG-CD2 4.5Å; W8-F12 HydrophobicContact CG-CE2 4.24Å; W8-F12 HydrophobicContact CZ2-CD2 4.35Å; W8-F12 HydrophobicContact CZ2-CE2 4.01Å; W8-F12 AromaticContact NE1-CE2 3.6Å; W8-F12 VanDerWaalsContact O-CD2 3.3Å; W8-F12 WeakPolarHBondContact O-CD2 3.25Å; W8-F12 PolarHBondContact O-N 2.9Å; L9-F12 PolarHBondContact O-N 3.26Å; L10-F12 VanDerWaalsContact C-N 3.26Å; L10-F12 PolarHBondContact O-N 3.2Å; F12-V14 VanDerWaalsContact C-N 3.27Å; F12-V14 PolarHBondContact O-N 2.71Å; F12-S15 WeakPolarHBondContact O-CA 3.14Å; F12-S15 WeakPolarHBondContact O-CB 3.47Å; F12-S15 PolarHBondContact O-N 3.41Å; F12-T16 PolarHBondContact O-N 2.82Å
13K45Very low45.2Very low87 Ų87107.4 Ų107.438%0.37859%0.592SS.*Hα-helixtrans-65.4-27174.1-170.4153.868.7175.70113L9 T16L9-K13 VanDerWaalsContact O-CB 3.29Å; L9-K13 WeakPolarHBondContact O-CB 3.28Å; L9-K13 PolarHBondContact O-N 3.37Å; K13-T16 PolarHBondContact O-OG1 2.78Å; K13-T16 VanDerWaalsContact O-OG1 3.12Å
14V44.6Very low44.8Very low85 Ų85112 Ų11252%0.51560%0.6SS.*Hα-helixtrans-75.2-26.5167.1171.70000112L10 F12 Q17 N18L10-V14 WeakPolarHBondContact O-CB 3.37Å; L10-V14 VanDerWaalsContact O-CG2 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 2.69Å; F12-V14 VanDerWaalsContact C-N 3.27Å; F12-V14 PolarHBondContact O-N 2.71Å; V14-Q17 PolarHBondContact O-N 2.76Å; V14-N18 WeakPolarHBondContact O-CB 3.29Å; V14-N18 PolarHBondContact O-N 3.21Å
15S42.8Very low44.9Very low74 Ų74109.3 Ų109.352%0.51760%0.598SS.*Hα-helixtrans-70.6-36.4178.5-153.10000112.3F12 Q17F12-S15 WeakPolarHBondContact O-CA 3.14Å; F12-S15 WeakPolarHBondContact O-CB 3.47Å; F12-S15 PolarHBondContact O-N 3.41Å; S15-Q17 VanDerWaalsContact C-N 3.34Å
16T47.1Very low44.8Very low88 Ų88113.9 Ų113.954%0.5460%0.599SS.*Hα-helixtrans-72.9-24.4175.754.80000113.3F12 K13F12-T16 PolarHBondContact O-N 2.82Å; K13-T16 PolarHBondContact O-OG1 2.78Å; K13-T16 VanDerWaalsContact O-OG1 3.12Å
17Q44.4Very low44.4Very low170 Ų170116.4 Ų116.479%0.79461%0.614SS**Hα-helixtrans-92-20.8175.2-69.4-161.7-12.300114.6V14 S15 M19V14-Q17 PolarHBondContact O-N 2.76Å; S15-Q17 VanDerWaalsContact C-N 3.34Å; Q17-M19 VanDerWaalsContact C-N 3.25Å; Q17-M19 PolarHBondContact O-N 3.17Å
18N40.1Very low43.9Very low100 Ų100113.1 Ų113.154%0.53561%0.61SS.*  trans-88.156.3179.9-161.1-8.4000113.2V14 K20V14-N18 WeakPolarHBondContact O-CB 3.29Å; V14-N18 PolarHBondContact O-N 3.21Å; N18-K20 PolarHBondContact O-N 2.77Å
19M45.4Very low44Very low172 Ų172112.4 Ų112.485%0.84762%0.616SS**  trans-73.7109.6153.5-75.3-168.2-101.100108.3Q17Q17-M19 VanDerWaalsContact C-N 3.25Å; Q17-M19 PolarHBondContact O-N 3.17Å
20K43.5Very low43.9Very low192 Ų192114 Ų11484%0.83563%0.63SS**SBendtrans92.466.4161.2-158.1171178.8173.30118.7N18N18-K20 PolarHBondContact O-N 2.77Å
21M33Very low44.1Very low163 Ų163115.6 Ų115.680%0.80364%0.644SS**  -155145.1124.2-157.958.869.600111
22G40.5Very low44.4Very low74 Ų74116.4 Ų116.476%0.76365%0.654SS**  trans-85.7165-173.600000115.1
23G43.2Very low45.4Very low73 Ų73120.2 Ų120.275%0.75367%0.67SS**  trans115.891.7158.200000116.4
24L37.7Very low46.7Very low163 Ų163117 Ų11785%0.85366%0.659SS**  trans173143132.1-92.6170.3000108.5R26L24-R26 PolarHBondContact O-N 2.97Å
25P44.4Very low47.9Very low123 Ų123118.3 Ų118.380%0.79967%0.669SS**  trans-77.586.5-177.232.2-33.7000110.4T27P25-T27 PolarHBondContact O-N 2.98Å
26R40.6Very low49.4Very low151 Ų151118.2 Ų118.257%0.5767%0.668SS**PPolyproline II helixtrans-57.6133.5158.8-77.6173.564.4142.9-11.5107.2L24 T28L24-R26 PolarHBondContact O-N 2.97Å; R26-T28 PolarHBondContact O-N 2.88Å
27T42.6Very low50.6Low130 Ų130114.9 Ų114.980%0.79865%0.648SS**PPolyproline II helixtrans-48.6119173.553.60000107.9P25 P29P25-T27 PolarHBondContact O-N 2.98Å; T27-P29 WeakPolarHBondContact O-CD 3.47Å; T27-P29 VanDerWaalsContact O-N 3.12Å
28T39.6Very low51.8Low110 Ų110111.4 Ų111.468%0.67564%0.64SS**PPolyproline II helixtrans-55.1122.5-177.846.30000108.2R26 T31R26-T28 PolarHBondContact O-N 2.88Å; T28-T31 HydrophobicContact CG2-CG2 4.39Å
29P47.8Very low53.1Low75 Ų75112.3 Ų112.349%0.48764%0.643SS.*PPolyproline II helixtrans-53.8149.6161.427.6-33.5000107.1T27 T31T27-P29 WeakPolarHBondContact O-CD 3.47Å; T27-P29 VanDerWaalsContact O-N 3.12Å; P29-T31 PolarHBondContact O-N 3.41Å
30P49.5Very low53.7Low86 Ų86106.8 Ų106.856%0.55862%0.621SS**  trans-51.8112.8-173.521.7-33.2000109.1Q32P30-Q32 PolarHBondContact O-N 2.92Å
31T53.9Low54.1Low130 Ų130100.5 Ų100.580%0.79861%0.611SS**SBendtrans-69.45.2-169.754.70000113.1T28 P29T28-T31 HydrophobicContact CG2-CG2 4.39Å; P29-T31 PolarHBondContact O-N 3.41Å
32Q59.3Low54.9Low166 Ų166102.9 Ų102.978%0.77662%0.617SS**SBendtrans-98.796.8174.5-172.916253.700108.2P30P30-Q32 PolarHBondContact O-N 2.92Å
33K67.9Low55.3Low112 Ų112102.8 Ų102.849%0.48762%0.616SS.*  trans-37.5124.1165.2172168.1175.41620109.3Y386K33-Y386 HydrophobicContact CD-CE1 4.26Å; K33-Y386 WeakPolarHBondContact CE-OH 3.27Å; K33-Y386 HydrophobicContact CG-CE1 3.97Å; K33-Y386 WeakPolarHBondContact CG-OH 3.17Å
34P71.8Confident55.3Low21 Ų21106 Ų10614%0.13662%0.621CS.*PPolyproline II helixtrans-64.1148.7-172.928.7-36.6000109.8S36 Y342 Y386P34-S36 PolarHBondContact O-N 3.44Å; P34-Y342 HydrophobicContact CB-CE2 4.48Å; P34-Y342 VanDerWaalsContact CD-CD2 3.49Å; P34-Y342 HydrophobicContact CG-CD2 3.58Å; P34-Y342 HydrophobicContact CG-CE2 3.57Å; P34-Y342 HydrophobicContact CG-CG 4.37Å; P34-Y386 HydrophobicContact CG-CD2 4.13Å; P34-Y386 HydrophobicContact CG-CE1 4.49Å; P34-Y386 HydrophobicContact CG-CE2 3.79Å; P34-Y386 PolarHBondContact O-OH 3.22Å
35P71.6Confident56Low111 Ų111107.2 Ų107.272%0.72163%0.628SS**PPolyproline II helixtrans-57.4128.4-177.424.6-34000109.7N385P35-N385 PolarHBondContact O-ND2 3.14Å
36S72.5Confident56.3Low73 Ų73104.1 Ų104.151%0.5162%0.618SS.*PPolyproline II helixtrans-58.8140.9175.9-55.50000109.9P34P34-S36 PolarHBondContact O-N 3.44Å
37P73.4Confident56.7Low18 Ų18108.4 Ų108.412%0.11763%0.634CS.*PPolyproline II helixtrans-56.6154.8168.924.5-31.9000109.9M39 W370 P383 N385P37-M39 PolarHBondContact O-N 2.99Å; P37-W370 HydrophobicContact CG-CD2 4.26Å; P37-W370 HydrophobicContact CG-CG 4.4Å; P37-W370 HydrophobicContact CG-CZ2 4.26Å; P37-P383 HydrophobicContact CG-CB 3.43Å; P37-P383 VanDerWaalsContact CG-CB 3.43Å; P37-N385 WeakPolarHBondContact CD-OD1 3.46Å
38P69Low56.8Low97 Ų97110.7 Ų110.763%0.6364%0.635SS**PPolyproline II helixtrans-54.6135.2178.125.1-34.4000109.5S40 W370P38-S40 PolarHBondContact O-N 3.16Å; P38-W370 PolarHBondContact O-NE1 3.43Å
39M67.6Low57Low118 Ų118109.8 Ų109.858%0.58163%0.633SS**PPolyproline II helixtrans-56.7136.5175.4-63.117682.800109.1P37 G41P37-M39 PolarHBondContact O-N 2.99Å; M39-G41 PolarHBondContact O-N 3.43Å
40S57.8Low57.4Low56 Ų56112 Ų11239%0.39265%0.648SS.*  trans-6758.8175.5-45.40000112.3P38 K42 D368P38-S40 PolarHBondContact O-N 3.16Å; S40-K42 PolarHBondContact O-N 3.35Å; S40-D368 VanDerWaalsContact CB-OD2 3.26Å; S40-D368 WeakPolarHBondContact CB-OD2 3.34Å; S40-D368 PolarHBondContact OG-OD2 3.35Å
41G52.9Low57.1Low61 Ų61118.3 Ų118.363%0.62966%0.662SS**  trans-82.9106.2-178.300000110.7M39 G43M39-G41 PolarHBondContact O-N 3.43Å; G41-G43 PolarHBondContact O-N 2.98Å; G41-G43 VanDerWaalsContact O-N 3.11Å
42K48.7Very low56.8Low212 Ų212119.9 Ų119.992%0.92265%0.653SS**  trans-55.1117.7170.1-164.2131.760.3-164.10108.7S40 T44S40-K42 PolarHBondContact O-N 3.35Å; K42-T44 PolarHBondContact O-N 2.83Å
43G48.4Very low56.6Low73 Ų73118 Ų11875%0.75365%0.653SS**  trans-62.8128.2-152.900000115.7G41G41-G43 PolarHBondContact O-N 2.98Å; G41-G43 VanDerWaalsContact O-N 3.11Å
44T43.5Very low56Low139 Ų139120 Ų12085%0.85367%0.669SS**  trans-108.2102.3146.948.10000108.4K42 G46K42-T44 PolarHBondContact O-N 2.83Å; T44-G46 PolarHBondContact O-N 3.29Å
45L53Low55.4Low190 Ų190125.3 Ų125.3100%0.99569%0.692SS**  trans-70.691.9-178.7-169.380.2000110.2
46G50.6Low54.8Low57 Ų57125.8 Ų125.859%0.58869%0.694SS**  trans143.2109.4161.900000116.1T44T44-G46 PolarHBondContact O-N 3.29Å
47R48.6Very low54.3Low242 Ų242128.5 Ų128.591%0.91371%0.708SS**SBend176.7-6.9100-93.5173.7-175-82.6-1.6115.1
48H44.3Very low54.1Low177 Ų177138.4 Ų138.482%0.81974%0.743SS**  trans-146.427.6-169.255.8-82.5000116.5
49S44.2Very low53.6Low91 Ų91138.8 Ų138.864%0.63675%0.745SS**  trans-70.9131.7167-47.60000110.4Y51 R52S49-Y51 PolarHBondContact O-N 3.3Å; S49-R52 PolarHBondContact O-N 2.97Å
50P56.6Low53.4Low122 Ų122138.8 Ų138.879%0.79275%0.754SS**SBendtrans-68.1-20.9-179.727.1-34.3000112.9R52P50-R52 PolarHBondContact O-N 2.66Å
51Y42.6Very low53.9Low218 Ų218142.7 Ų142.786%0.85578%0.775SS**  trans-93.862.3171.1-57-73.5000111S49 T53S49-Y51 PolarHBondContact O-N 3.3Å; Y51-T53 PolarHBondContact O-N 2.78Å
52R47.8Very low54.5Low164 Ų164144.9 Ų144.962%0.61978%0.776SS**  trans-70.4112164.9-133.6-78-169.3159.45.4106.3S49 P50 L54 E55S49-R52 PolarHBondContact O-N 2.97Å; P50-R52 PolarHBondContact O-N 2.66Å; R52-L54 PolarHBondContact O-N 3.32Å; R52-L54 VanDerWaalsContact O-N 3.08Å; R52-E55 IonicContact CZ-OE1 3.9Å; R52-E55 IonicContact NH1-OE1 3.14Å; R52-E55 PolarHBondContact NH1-OE1 2.98Å; R52-E55 VanDerWaalsContact NH1-OE1 3.14Å; R52-E55 IonicContact NH2-OE1 3.63Å
53T54.8Low55.1Low126 Ų126138.9 Ų138.977%0.77376%0.759SS**PPolyproline II helixtrans-52.6120.8161.243.20000106.7Y51 E55Y51-T53 PolarHBondContact O-N 2.78Å; T53-E55 PolarHBondContact O-N 3.06Å
54L55.9Low55.4Low154 Ų154142.3 Ų142.381%0.80676%0.76SS**PPolyproline II helixtrans-55.9129.1-178.1-65.8176.3000107.4R52R52-L54 PolarHBondContact O-N 3.32Å; R52-L54 VanDerWaalsContact O-N 3.08Å
55E58.7Low56Low133 Ų133142.9 Ų142.962%0.62176%0.758SS**PPolyproline II helixtrans-55.8133.4174.2-159.8161-90.400107.7R52 T53 V57R52-E55 IonicContact CZ-OE1 3.9Å; R52-E55 IonicContact NH1-OE1 3.14Å; R52-E55 PolarHBondContact NH1-OE1 2.98Å; R52-E55 VanDerWaalsContact NH1-OE1 3.14Å; R52-E55 IonicContact NH2-OE1 3.63Å; T53-E55 PolarHBondContact O-N 3.06Å; E55-V57 PolarHBondContact O-N 3.06Å
56P60.1Low55.7Low120 Ų120143.8 Ų143.878%0.77975%0.75SS**  trans-52.8107.4-175.7-29.135.8000110.2R58P56-R58 PolarHBondContact O-N 3.18Å
57V61.8Low55.7Low130 Ų130145.7 Ų145.779%0.78875%0.75SS**  trans-60.8115.1-176.6177.70000106.2E55 P59E55-V57 PolarHBondContact O-N 3.06Å; V57-P59 VanDerWaalsContact O-N 3.16Å
58R68.6Low55.7Low226 Ų226139.7 Ų139.785%0.85374%0.742SS**PPolyproline II helixtrans-52.4126.3177.7-99.3-175.3-74.6145.9-3.7107.8P56P56-R58 PolarHBondContact O-N 3.18Å
59P59.5Low55.6Low106 Ų106136.3 Ų136.369%0.68874%0.738SS**PPolyproline II helixtrans-57.4142.7-179.223.8-33.3000109.1V57 V61V57-P59 VanDerWaalsContact O-N 3.16Å; P59-V61 PolarHBondContact O-N 2.87Å
60P63.7Low55.7Low118 Ų118137.8 Ų137.877%0.76675%0.746SS**PPolyproline II helixtrans-59126.7-177.924.1-33.4000109.8V62P60-V62 PolarHBondContact O-N 3.38Å; P60-V62 VanDerWaalsContact O-N 3.13Å
61V68.3Low55.1Low138 Ų138137.9 Ų137.984%0.83674%0.744SS**  trans-71.5107.9173.3179.20000107.5P59 P63P59-V61 PolarHBondContact O-N 2.87Å; V61-P63 WeakPolarHBondContact O-CD 3.47Å
62V64.6Low55.5Low106 Ų106137.8 Ų137.864%0.64274%0.743SS**  trans-69.8124.7173.1-179.10000108.2P60P60-V62 PolarHBondContact O-N 3.38Å; P60-V62 VanDerWaalsContact O-N 3.13Å
63P61.4Low55.1Low87 Ų87137 Ų13757%0.56575%0.751SS**  trans-60.3137.4171.5-23.234.9000111V61 D65 Y66V61-P63 WeakPolarHBondContact O-CD 3.47Å; P63-D65 PolarHBondContact O-N 3.12Å; P63-Y66 PolarHBondContact O-N 3.4Å
64N55.4Low54.4Low145 Ų145138.4 Ų138.478%0.77575%0.75SS**G310 helixtrans-64.4-9.3-176.6-82.2-38.8000114.1Y66 V67N64-Y66 PolarHBondContact O-N 3.12Å; N64-Y66 VanDerWaalsContact O-N 3.14Å; N64-V67 PolarHBondContact O-N 2.63Å
65D56.5Low53.5Low151 Ų151135.5 Ų135.581%0.80775%0.748SS**G310 helixtrans-70-4.6-179.1-48.6-68.1000114P63P63-D65 PolarHBondContact O-N 3.12Å
66Y46.8Very low52.8Low208 Ų208134.8 Ų134.882%0.81676%0.755SS**G310 helixtrans-101.512.4178.8-119.6-85.7000115.1P63 N64 P68P63-Y66 PolarHBondContact O-N 3.4Å; N64-Y66 PolarHBondContact O-N 3.12Å; N64-Y66 VanDerWaalsContact O-N 3.14Å; Y66-P68 WeakPolarHBondContact O-CD 3.16Å
67V49.9Very low51.6Low97 Ų97135 Ų13559%0.58876%0.76SS**SBendtrans-89.3114.9170.2-172.40000109.2N64 S69N64-V67 PolarHBondContact O-N 2.63Å; V67-S69 PolarHBondContact O-N 3.28Å; V67-S69 VanDerWaalsContact O-N 3.13Å
68P47.6Very low50.6Low116 Ų116137.2 Ų137.275%0.75376%0.761SS**PPolyproline II helixtrans-61.2119.2170.8-18.531.9000108.8Y66Y66-P68 WeakPolarHBondContact O-CD 3.16Å
69S43.7Very low49.1Very low106 Ų106134.7 Ų134.774%0.74176%0.759SS**PPolyproline II helixtrans-55.4128-178.1-51.90000110.4V67 T71V67-S69 PolarHBondContact O-N 3.28Å; V67-S69 VanDerWaalsContact O-N 3.13Å; S69-T71 PolarHBondContact O-N 3.28Å; S69-T71 VanDerWaalsContact O-N 3.13Å
70P45.4Very low48Very low123 Ų123135.1 Ų135.180%0.79977%0.765SS**PPolyproline II helixtrans-57.7121.7176.1-25.234.6000110.2R72P70-R72 PolarHBondContact O-N 3.35Å; P70-R72 VanDerWaalsContact O-N 3.1Å
71T44.5Very low48Very low124 Ų124135 Ų13576%0.76176%0.764SS**PPolyproline II helixtrans-55.4117.4-175.7-50.10000110.7S69 N73S69-T71 PolarHBondContact O-N 3.28Å; S69-T71 VanDerWaalsContact O-N 3.13Å; T71-N73 PolarHBondContact O-N 3.5Å
72R50Low46.4Very low216 Ų216134.3 Ų134.382%0.81576%0.76SS**  trans-55.6103.9168.8168.6-179.1145.8-177.3-6109.2P70P70-R72 PolarHBondContact O-N 3.35Å; P70-R72 VanDerWaalsContact O-N 3.1Å
73N39.3Very low45.4Very low147 Ų147140.9 Ų140.979%0.78677%0.773SS**  trans-125.9139.2168.3-104.1-17.1000110.5T71T71-N73 PolarHBondContact O-N 3.5Å
74M40.1Very low44.5Very low156 Ų156143.1 Ų143.177%0.76879%0.785SS**  trans-73.2143.8-170.9-62.1-70.6-168.800111.8
75A36.8Very low43.7Very low92 Ų92141 Ų14176%0.7679%0.788SS**  trans-61.8159.2152.200000109.5
76P45.1Very low43.3Very low118 Ų118139.2 Ų139.277%0.76679%0.787SS**  cis-144.4165.831.941.5-23000117.6
77S35.2Very low43.1Very low126 Ų126135.5 Ų135.588%0.88179%0.786SS**  163.3166.3123.752.30000111.8
78Q41.3Very low42.8Very low176 Ų176138.3 Ų138.382%0.82280%0.798SS**  trans-92.2169.9-163.1-71.3-88.328.100114.1
79Q36Very low42.3Very low173 Ų173140 Ų14081%0.80880%0.795SS**  trans105.488.5152.4-57.4-177.8-21.300119.6
80S37.3Very low42Very low114 Ų114144.8 Ų144.880%0.79780%0.797SS**  57.3176.3119.6-35.70000119.7
81P62.2Low41.9Very low117 Ų117146.6 Ų146.676%0.7680%0.8SS**  -125.1-159.5-120.830.3-4.8000113.6
82V35.8Very low41.6Very low123 Ų123151.5 Ų151.575%0.74581%0.805SS**  trans90.2113.6171.2-172.80000115.7
83R43.1Very low41.2Very low244 Ų244146.5 Ų146.592%0.92180%0.798SS**  -161.9135.6116.7-103.7161.1-165.1-88.8-2112.5
84T42.5Very low41.1Very low133 Ų133149.3 Ų149.382%0.81680%0.8SS**  trans-84.9152.1172.547.80000110.3
85A38.8Very low40.8Very low100 Ų100146.5 Ų146.583%0.82680%0.795SS**  trans-177.7128.4138.600000110.9
86S48.8Very low40.9Very low115 Ų115147.6 Ų147.680%0.80480%0.797SS**  trans-88.2141.2163.145.90000110.1
87V41.8Very low40.4Very low130 Ų130148.3 Ų148.379%0.78881%0.805SS**  trans-143.2116.8156175.70000109.9
88N44.2Very low40.3Very low156 Ų156145.2 Ų145.283%0.83479%0.793SS**  trans-81131.8161.2-90.6-45000109.9
89Q37Very low40Very low150 Ų150142.9 Ų142.970%0.70180%0.796SS**  trans-178.7144.2150.8-106.5164.965.400109
90R37.4Very low40.3Very low207 Ų207140 Ų14078%0.78180%0.796SS**  cis179.5144.6-16.5-112.2-176.7-160.6133.2-1.4103.2
91N43Very low40.2Very low162 Ų162138.9 Ų138.987%0.86680%0.801SS**  trans-62.4139.6165.9-77-6000111
92R38.3Very low38.8Very low226 Ų226136.8 Ų136.885%0.85380%0.801SS**  trans-158.9127.9140.3-112.5175-143.6-104.42.1112.9
93T41.4Very low38.9Very low111 Ų111137 Ų13768%0.68181%0.808SS**  trans-50149.3159.6-31.90000111.7
94Y37.2Very low38.9Very low207 Ų207133.7 Ų133.781%0.81280%0.803SS**  -176.5134.8117.3-89-58.5000114.3
95S34.4Very low39.5Very low96 Ų96132.7 Ų132.767%0.67180%0.798SS**  trans-25.3151.7170-46.10000123.5
96S37.7Very low39.4Very low115 Ų115133.8 Ų133.880%0.80480%0.8SS**  76.1112.5128.359.90000123.2
97S36Very low38.9Very low133 Ų133133.8 Ų133.893%0.9380%0.8SS**  170.9136.9126.9-173.40000108.8
98G31.7Very low38.8Very low61 Ų61139.7 Ų139.763%0.62981%0.808SS**  cis176.1169.7-3.400000110.7
99S36Very low38.6Very low128 Ų128137.8 Ų137.890%0.89581%0.807SS**  trans68149.5171.3-65.80000118.8
100S41.8Very low38.6Very low113 Ų113136.7 Ų136.779%0.7982%0.816SS**  cis-173143.8-11.448.10000112.3
101G35.1Very low38.7Very low89 Ų89132 Ų13292%0.91882%0.815SS**  trans81.8153.1165.500000116.7
102G33.4Very low38.5Very low73 Ų73135.4 Ų135.475%0.75382%0.815SS**  cis165.1106.8-4.200000113
103S37.6Very low38.4Very low127 Ų127133.7 Ų133.789%0.88882%0.817SS**  trans40.3118.4157.7-50.60000122.8
104H43.7Very low38.1Very low176 Ų176136 Ų13682%0.81583%0.825SS**  trans-83.6173.7143.746.5-124.7000110.1
105P54.9Low38.5Very low112 Ų112131.5 Ų131.573%0.72782%0.824SS**  cis-129.9-171.49.541.6-23.8000114.8
106S36.5Very low38.7Very low123 Ų123130.2 Ų130.286%0.8683%0.826SS**  trans-139110.4170.2-74.30000112.4
107S38.1Very low38.9Very low115 Ų115131 Ų13180%0.80483%0.832SS**PPolyproline II helixtrans-82.7140.1163.7-560000109.7
108R39.8Very low39Very low254 Ų254128.2 Ų128.296%0.95882%0.824SS**PPolyproline II helixtrans-101.8121168.7-99.1-179.1158.4-174.7-6.7110.3
109S39.1Very low39.7Very low115 Ų115131.3 Ų131.380%0.80484%0.836SS**PPolyproline II helixtrans-89157.5173.4-52.20000111.8
110S37.9Very low40.2Very low128 Ų128132.7 Ų132.790%0.89584%0.838SS**  trans-141.8149.6138.760.80000109.2
111S39.8Very low40Very low108 Ų108130.5 Ų130.576%0.75583%0.834SS**  trans-154.2142.5-160.6169.70000110.5
112R39.3Very low40.6Very low233 Ų233132.2 Ų132.288%0.87983%0.826SS**  trans155.4146.6150.4-86.8160.2179.6-161.6-2.8107
113E36.1Very low41.1Very low190 Ų190134.9 Ų134.989%0.88883%0.83SS**  cis-146.1155.726.855.1-153.86100113.3
114N34.1Very low41.3Very low159 Ų159136.6 Ų136.685%0.8583%0.828SS**  trans-150.4143.9165.2-177.713.5000108.4
115S45.5Very low41.4Very low114 Ų114132.5 Ų132.580%0.79782%0.824SS**  trans-141.5122.5175.2-720000112
116G38.7Very low40.8Very low68 Ų68133.3 Ų133.370%0.70183%0.827SS**  trans90.3109.7139.400000119.7
117S41.1Very low41.2Very low133 Ų133133.1 Ų133.193%0.9382%0.823SS**  trans61.5145.1145.2-54.20000119.9
118G39.7Very low41.9Very low74 Ų74133.8 Ų133.876%0.76382%0.822SS**  cis133.587.2-0.500000112.4
119S44.6Very low42.5Very low126 Ų126127.4 Ų127.488%0.88181%0.813SS**  trans-164.1150.2169.746.10000112.7
120V47Very low43.2Very low156 Ų156127.3 Ų127.395%0.94581%0.813SS**  trans-93.4142.4-175.7173.10000110.7
121G37.4Very low44.1Very low67 Ų67126.7 Ų126.769%0.69181%0.805SS**  trans-175.7108172.600000116.6
122V47.8Very low44.9Very low125 Ų125127.6 Ų127.676%0.75881%0.809SS**  trans24131.7147.6-1690000120.3I124V122-I124 PolarHBondContact O-N 2.86Å
123P43.8Very low45.4Very low129 Ų129121.5 Ų121.584%0.83880%0.802SS**PPolyproline II helixtrans-71.4121.3168.630.9-33.8000111.8
124I42.9Very low46Very low164 Ų164119.2 Ų119.284%0.84180%0.801SS**PPolyproline II helixtrans-88.1137.3171-64.2-179.6000109.5V122V122-I124 PolarHBondContact O-N 2.86Å
125A44.8Very low46.6Very low89 Ų89120.6 Ų120.674%0.73680%0.799SS**PPolyproline II helixtrans-68.1154-171.900000114.4
126V43Very low47Very low130 Ų130120.5 Ų120.579%0.78880%0.796SS**PPolyproline II helixtrans-72134.5177.1-171.60000110.4T128V126-T128 PolarHBondContact O-N 2.78Å
127P44.1Very low47Very low119 Ų119121.8 Ų121.877%0.77380%0.8SS**  trans-73.2114.1170.1-15.330.3000111.3
128T53.6Low47.5Very low129 Ų129121.7 Ų121.779%0.79180%0.797SS**PPolyproline II helixtrans-69.4127.9169.6-22.80000109.8V126 S130V126-T128 PolarHBondContact O-N 2.78Å; T128-S130 PolarHBondContact O-N 3.05Å
129P52.5Low47.5Very low120 Ų120123.3 Ų123.378%0.77980%0.802SS**PPolyproline II helixtrans-72.2128.1172.428.4-32.6000110.7
130S53.9Low47.1Very low113 Ų113121 Ų12179%0.7980%0.798SS**PPolyproline II helixtrans-75.4143.8177.7-58.10000112.2T128T128-S130 PolarHBondContact O-N 3.05Å
131P55.9Low46.6Very low114 Ų114119.3 Ų119.374%0.7479%0.794SS**PPolyproline II helixtrans-71.5150.2170.431-34.6000111.4
132P58Low46.6Very low127 Ų127120.9 Ų120.983%0.82580%0.8SS**PPolyproline II helixtrans-69.1140178.328.3-34.1000112
133S48.5Very low45.9Very low106 Ų106118.6 Ų118.674%0.74180%0.802SS**PPolyproline II helixtrans-70.6128.6179.2-66.20000112.5
134V49.4Very low45.8Very low142 Ų142119 Ų11986%0.86180%0.803SS**PPolyproline II helixtrans-71.6124.3160.2171.60000108.4
135F46.3Very low46.7Very low187 Ų187116.9 Ų116.982%0.8280%0.799SS**PPolyproline II helixtrans-91.4138.5167.8-95.8-89.2000110.6
136P53.7Low47.4Very low112 Ų112118.4 Ų118.473%0.72780%0.801SS**PPolyproline II helixtrans-84.5152.5-177.933.9-35.4000112.9
137A40Very low47.4Very low95 Ų95119.7 Ų119.779%0.78580%0.803SS**PPolyproline II helixtrans-81146.9167.500000111.6
138P51.6Low47.7Very low132 Ų132120.2 Ų120.286%0.85781%0.807SS**PPolyproline II helixtrans-89.8142.1160.833.6-28.8000111
139A38Very low46.9Very low107 Ų107118 Ų11888%0.88480%0.801SS**  trans-121.6153.8-179.100000112.3
140G38Very low46Very low77 Ų77118.5 Ų118.579%0.79480%0.802SS**  trans117.5134.9171.400000113.8
141S35.8Very low45.2Very low121 Ų121118.3 Ų118.385%0.84680%0.801SS**  cis-162.7157.83.4-158.10000114.1
142A36.1Very low44.2Very low101 Ų101117.3 Ų117.384%0.83580%0.802SS**  trans65.6126.615400000122
143G33.9Very low43.2Very low77 Ų77117.2 Ų117.279%0.79480%0.804SS**  trans155.488.2158.100000116.8
144T41.8Very low42.8Very low138 Ų138118.2 Ų118.285%0.84781%0.806SS**  trans-150.1165.4168.642.70000110.2
145P61.8Low42.8Very low118 Ų118117.4 Ų117.477%0.76680%0.803SS**  cis-121.6-152-47.741.5-24.6000108.7
146P59.8Low42.4Very low121 Ų121114.3 Ų114.379%0.78680%0.8SS**  -145.2-178.653.738.4-15.3000116.8
147L41.9Very low42.8Very low158 Ų158114.3 Ų114.383%0.82780%0.8SS**  trans-78.7173.4169.7-70.6157.5000112.3
148P50.8Low42.6Very low130 Ų130118 Ų11884%0.84481%0.806SS**  -135.7-179106.638.8-28.7000114.2
149A36.7Very low42.1Very low82 Ų82117.7 Ų117.768%0.67880%0.801SS**  trans-130.8-173.9-161.500000114.4
150T35.1Very low42.7Very low130 Ų130118.2 Ų118.280%0.79880%0.796SS**  trans112.413714970.40000120.4
151S35.4Very low42.6Very low110 Ų110118.9 Ų118.977%0.76979%0.793SS**  trans62.2116.3151.8-56.30000119.5
152A36.4Very low42.4Very low92 Ų92119 Ų11976%0.7679%0.79SS**  85120.751.200000115.3
153S37.2Very low42.5Very low125 Ų125120.6 Ų120.687%0.87479%0.788SS**  trans178.9142.1140.8-80.30000113
154V39.3Very low43.2Very low128 Ų128122.3 Ų122.378%0.77679%0.786SS**  trans-119146.5166.2179.30000106.7
155P49Very low42.9Very low124 Ų124120.8 Ų120.881%0.80578%0.78SS**  -143.4154.8124.232.3-15.6000115
156T38.3Very low41.6Very low122 Ų122120.6 Ų120.675%0.74878%0.782SS**  trans-106.4-166.4165.4480000109.1
157P61Low40.4Very low112 Ų112120.9 Ų120.973%0.72778%0.782SS**  -121.4-176.3-61.736-22.2000111.2
158L35.8Very low40.3Very low172 Ų172117.6 Ų117.690%0.90178%0.778SS**  trans-169.3142.1146.1-106.2158.5000112.4
159V42.2Very low40.4Very low127 Ų127117 Ų11777%0.7777%0.773SS**  trans-111.5164.9171.9-66.40000108.9
160P51.1Low40.3Very low118 Ų118120.1 Ų120.177%0.76678%0.779SS**  -157172.887.640.3-20.8000117.7
161A34.1Very low40.3Very low90 Ų90117.7 Ų117.774%0.74477%0.772SS**  trans68.9146.2147.100000119.6
162T32.7Very low40.2Very low125 Ų125116.9 Ų116.977%0.76777%0.772SS**  cis-162.5150.2-4.6-95.50000109.7
163V38.9Very low40.1Very low133 Ų133117.5 Ų117.581%0.80678%0.777SS**  trans-100.6144.3163.9-74.30000110.7
164P48.5Very low39.7Very low114 Ų114115.7 Ų115.774%0.7478%0.778SS**  -146.2176.4105.830-11.2000112.1
165S34.1Very low39.2Very low105 Ų105113.6 Ų113.673%0.73478%0.783SS**  cis169.9134.9-22.3-810000105.3
166S35Very low38.6Very low115 Ų115112.2 Ų112.280%0.80478%0.781SS**  trans57134.9154.4-153.90000120.9
167T35.8Very low38.4Very low126 Ų126115.3 Ų115.377%0.77379%0.787SS**  174.4123.5109.2-66.70000110.4
168A38.4Very low37.1Very low90 Ų90113.9 Ų113.974%0.74478%0.78SS**  trans-106.7152.5152.800000107.3
169P53Low37Very low116 Ų116113.6 Ų113.675%0.75378%0.779SS**  -142.1-162.281.142.9-25.5000111.1
170D34.8Very low36.7Very low148 Ų148111.3 Ų111.379%0.79177%0.773SS**  cis-154.1178.44.8-156.9-176.9000111.7
171A35Very low35.8Very low79 Ų79113.6 Ų113.665%0.65378%0.779SS**  trans33.1156.114200000123
172A33.6Very low35.6Very low93 Ų93113 Ų11377%0.76978%0.782SS**  cis-174.6166.5-23.700000109.1
173A33.6Very low35.6Very low105 Ų105116.3 Ų116.387%0.86879%0.786SS**  trans67.9113155.700000121.5
174G29.1Very low35.3Very low87 Ų87115.6 Ų115.690%0.89778%0.782SS**  93.6119.1105.200000119.8
175G29.7Very low34.9Very low85 Ų85115.1 Ų115.188%0.87678%0.782SS**  trans169.5130165.700000111.6
176A35Very low35.6Very low94 Ų94115.8 Ų115.878%0.77778%0.783SS**  trans-130.5173.2-171.100000113
177Q35.6Very low35.7Very low187 Ų187116.4 Ų116.487%0.87478%0.782SS**  trans78.7155.3169.2-52.8-171.5-16.100116.7
178S33Very low36.5Very low83 Ų83115.8 Ų115.858%0.5878%0.78SS**  cis-176.5167-32.3600000108.6
179L34.6Very low37Very low166 Ų166117.3 Ų117.387%0.86978%0.783SS**  trans70.9149.5165.5-57.4162.6000115.8
180A35.3Very low36.4Very low79 Ų79118.1 Ų118.165%0.65379%0.786SS**  cis-160.6172.7-13.100000110.9
181D32.2Very low36.4Very low165 Ų165119.1 Ų119.188%0.88279%0.789SS**  trans-12.1146168.7-56.7-90.2000121.5
182G30.8Very low36.3Very low79 Ų79120.3 Ų120.381%0.81479%0.792SS**  trans-179.174.8172.900000118
183F31.3Very low36.3Very low193 Ų193120.8 Ų120.885%0.84679%0.79SS**  trans-16160.6159.3-142.5-115.3000121.5
184T33.2Very low36.4Very low119 Ų119123.7 Ų123.773%0.7379%0.791SS**  trans78.8123.8157.520.10000122.4
185S40.6Very low37.7Very low104 Ų104124.7 Ų124.773%0.72778%0.782SS**  trans-78.8156.9156.9174.10000111.4
186P47.9Very low38.5Very low118 Ų118125.9 Ų125.977%0.76677%0.774SS**  trans-141.5138.6137.934.9-20000115.7
187T38.2Very low38.5Very low128 Ų128128.2 Ų128.279%0.78578%0.779SS**  trans-75.2154.1147.9-14.60000109
188P50.8Low38.4Very low113 Ų113123 Ų12373%0.73478%0.775SS**  -158.9-155.583.544-22.4000112.5
189P50.8Low38.8Very low123 Ų123128 Ų12880%0.79979%0.789SS**  cis-124.5-178.8-23.723.5-0.1000114.6
190V39.3Very low39.5Very low133 Ų133125.7 Ų125.781%0.80678%0.784SS**  trans-107.8151.3171.6170.60000110.6
191I34.7Very low39.5Very low169 Ų169127.2 Ų127.287%0.86779%0.785SS**  trans168.9147156.2-94.8151.6000108.2
192S32.4Very low40Very low103 Ų103128.1 Ų128.172%0.7278%0.784SS**  cis-169.7-178.1-20.8-171.40000109.7
193S33.7Very low40.2Very low103 Ų103132 Ų13272%0.7278%0.779SS**  trans73.188.6160.362.30000122.9
194N36Very low40.6Very low166 Ų166133.1 Ų133.189%0.88878%0.779SS**  49.9157.4114.2-85.128.5000125.1
195P57.4Low40.9Very low108 Ų108132.7 Ų132.770%0.70178%0.781SS**  trans-111.6-168.6-143.644.1-37.6000115.8
196P45.4Very low40.8Very low110 Ų110135.5 Ų135.571%0.71478%0.784SS**  -147.9154.2102.940.5-25.3000118.7
197T36.2Very low40.3Very low143 Ų143137.1 Ų137.188%0.87779%0.787SS**  trans54.7122.6144.553.40000123.2
198G33.6Very low40.4Very low78 Ų78142.8 Ų142.880%0.80479%0.794SS**  trans169.191.8155.900000115
199H40.3Very low40.4Very low188 Ų188143.6 Ų143.687%0.8780%0.799SS**  trans-92.4155.2164.6-74.4-75.1000110
200P50Low39.9Very low117 Ų117142.8 Ų142.876%0.7680%0.803SS**  -147.1144.79537.5-20.4000117
201V35.8Very low39.9Very low111 Ų111142.5 Ų142.567%0.67381%0.807SS**  trans35.9127.4156.5-96.10000123
202Q40.9Very low39.9Very low184 Ų184145.2 Ų145.286%0.8681%0.806SS**  -133.4146.3128.4-78.1-57.1-59.600110.1
203F35.7Very low40.3Very low160 Ų160149.4 Ų149.470%0.70281%0.814SS**  trans-95.1151179.3-123.8-109000110.1
204Y40.8Very low40.9Very low218 Ų218149.8 Ų149.886%0.85581%0.812SS**  171.5153.9127.6-84.5-55.6000111.4
205S38.2Very low41.5Very low110 Ų110147.6 Ų147.677%0.76981%0.807SS**  trans-80.6149.5-157.3-58.60000117.2
206M38.8Very low41.2Very low162 Ų162148.6 Ų148.680%0.79881%0.813SS**  trans-57139.6162.9-80.170.994.500113.5
207N36.9Very low40.9Very low153 Ų153149.4 Ų149.482%0.81882%0.816SS**  172.8111.7110-94.2-17.5000114.1
208R41.8Very low41.1Very low246 Ų246150.6 Ų150.693%0.92882%0.816SS**  trans-170.1123.7138.4-109.9174.3-168.6-124.21.9110.5
209P49.9Very low41.1Very low131 Ų131150.4 Ų150.485%0.85181%0.813SS**PPolyproline II helixtrans-81.6140.4176.731.8-33.1000111.8
210A40.7Very low40.8Very low106 Ų106145.2 Ų145.288%0.87681%0.811SS**PPolyproline II helixtrans-96.8137.5167.700000110.2
211S39.1Very low40.2Very low127 Ų127145 Ų14589%0.88881%0.812SS**PPolyproline II helixtrans-102122.2176.556.40000111.4
212R34Very low40.7Very low226 Ų226147.6 Ų147.685%0.85382%0.821SS**  trans-131.4123.6173.2-171.9-176.2-168.9-127.55108.5
213H42.1Very low41.3Very low191 Ų191143.7 Ų143.788%0.88481%0.812SS**  trans-145.8145.6168.3-108.7-77.8000112.1
214T46.3Very low41.4Very low111 Ų111147.4 Ų147.468%0.68182%0.823SS**  trans-101.1166.8-173.641.40000112
215P46.7Very low41.4Very low120 Ų120147 Ų14778%0.77982%0.82SS**  trans-93.4163.9-166.737.3-36.6000114.5
216P51.2Low41.6Very low129 Ų129151.8 Ų151.884%0.83882%0.821SS**  trans-106.3166.3167.538.4-30.9000113.8
217T39Very low42Very low127 Ų127148.5 Ų148.578%0.77981%0.812SS**  trans-138137.1-172.8-117.40000112.4
218I40.9Very low42.1Very low168 Ų168147.2 Ų147.286%0.86281%0.811SS**  trans61.5134.3158.1-65169.5000120.7
219G34Very low42Very low73 Ų73140.6 Ų140.675%0.75380%0.803SS**  trans15485.3139.900000121.6
220G33.6Very low41.4Very low80 Ų80141.9 Ų141.983%0.82580%0.801SS**  trans78155.5154.600000119.1
221S37.2Very low41.2Very low111 Ų111141.8 Ų141.878%0.77679%0.79SS**  cis-168.6122.5-9.853.30000113.1
222L46.1Very low41.1Very low167 Ų167141.2 Ų141.287%0.87479%0.786SS**  trans48.3169.3141.6-61.6-177.5000122.4
223P54Low41.1Very low101 Ų101138.8 Ų138.866%0.65678%0.784SS**  cis-134.9158.9-39.134.9-18.7000114.4
224Y38.4Very low40.7Very low238 Ų238135.6 Ų135.693%0.93378%0.778SS**  trans-130.1126.7152.2-96.6-91.6000110.8
225R39.8Very low40.1Very low210 Ų210135.6 Ų135.679%0.79278%0.783SS**  trans-79.5168.8165.9-65.9-168.7-174.8-88.414.4108.9
226R43.7Very low39.7Very low211 Ų211137.6 Ų137.680%0.79679%0.786SS**  cis-169.6-173.22.7-127.7-174.2177.1173.2-1.4104.9
227P45.7Very low38.9Very low93 Ų93139.4 Ų139.460%0.60478%0.783SS**  cis-127.3174.6-35.239.3-25.2000112.8
228P39.9Very low39Very low125 Ų125140.5 Ų140.581%0.81278%0.784SS**  trans-96.8149.1147.935.3-29.3000111.3
229S38.8Very low38.8Very low108 Ų108140.3 Ų140.376%0.75578%0.78SS**  trans-104.4119.7175.8-63.10000111.7
230I39.3Very low38.9Very low158 Ų158144.8 Ų144.881%0.8178%0.783SS**  27.5139.4114.1-90.1-154.5000117.1
231T35.4Very low39Very low103 Ų103148.6 Ų148.663%0.63279%0.785SS**  cis-170.1146.43.1-95.10000110
232S37Very low38.8Very low115 Ų115146.6 Ų146.680%0.80478%0.781SS**  trans-163111.5134.456.40000111.9
233Q34.9Very low38.3Very low175 Ų175142.1 Ų142.182%0.81878%0.775SS**  trans-65.9170.6156.9-57.6168.1-51.300108.1
234T32.9Very low38.3Very low125 Ų125143 Ų14377%0.76778%0.781SS**  cis-159.8169.425.5-23.70000105.3
235S33.8Very low38.1Very low110 Ų110141.8 Ų141.877%0.76978%0.781SS**  cis-151.9179.626.4-60.90000112.6
236L37.8Very low38Very low162 Ų162142.1 Ų142.185%0.84878%0.784SS**  trans-87.1154.3168-61.7148.8000110.9
237Q34.7Very low37.3Very low167 Ų167137.9 Ų137.978%0.7878%0.777SS**  -160122.3126.4-158.270.6-10.900110.2
238N40.3Very low36.7Very low151 Ų151141 Ų14181%0.80778%0.784SS**  trans-113.6126.6174.6-155.623.2000107
239Q37.1Very low36.9Very low164 Ų164141.5 Ų141.577%0.76678%0.779SS**  trans-143.3156.8174.7-83.8-55.1-19.500113.6
240M37Very low37.4Very low166 Ų166142 Ų14282%0.81878%0.78SS**  trans-104.1136.1-151.1-168.17682.800113
241N34.5Very low37.5Very low161 Ų161140 Ų14086%0.86178%0.775SS**  trans36.2130142.3-162.364.8000121.6
242G33.7Very low38Very low68 Ų68140.3 Ų140.370%0.70178%0.781SS**  trans147.9117.5142.600000119.8
243G35Very low38.3Very low73 Ų73143.2 Ų143.275%0.75379%0.787SS**  trans88.5143.5135.400000119.4
244P54.7Low39.4Very low119 Ų119139.2 Ų139.277%0.77378%0.784SS**  trans-100.9146.3-171.937.8-33.1000114.4
245F35.1Very low40.6Very low213 Ų213138.9 Ų138.993%0.93478%0.784SS**  trans-138155.9161-77.6-76000111.7
246Y36.7Very low41.7Very low218 Ų218139.1 Ų139.186%0.85578%0.783SS**  trans-95.6156.6-158.6-133.8-98.7000113.3
247N29.3Very low42.5Very low122 Ų122136.8 Ų136.865%0.65278%0.777SS**  trans103.5146.8137.8-127.3-13.2000121.7
248Q33.3Very low43.4Very low159 Ų159134.9 Ų134.974%0.74378%0.78SS**  trans8686.9170.7-44.5-55.612.100120
249N43Very low43.9Very low135 Ų135133.4 Ų133.472%0.72278%0.781SS**  trans-69.2158.9148.8-117.749.1000109.8
250P50Low44.2Very low119 Ų119133.3 Ų133.377%0.77378%0.784SS**  -146.71396936-16000118.5
251V40.9Very low44.7Very low116 Ų116133.2 Ų133.270%0.70379%0.786SS**  trans48.1118.7131.2-165.30000120.1
252S47.1Very low45.1Very low108 Ų108134.4 Ų134.476%0.75579%0.786SS**  trans-61.2138.3168.3-45.50000114.7
253L43Very low45.6Very low176 Ų176137.9 Ų137.992%0.92179%0.793SS**  trans-142.3103.2153.2-77.9178.5000110
254A56.7Low45.9Very low92 Ų92139.9 Ų139.976%0.7679%0.791SS**PPolyproline II helixtrans-100.5137.8163.200000108.6
255P58.5Low45.4Very low118 Ų118140.3 Ų140.377%0.76679%0.794SS**PPolyproline II helixtrans-73.4147.1-178.430-34.6000111.8
256P58.4Low45.8Very low115 Ų115138.7 Ų138.775%0.74779%0.79SS**PPolyproline II helixtrans-73.3154.4176.331.3-35.2000112.2
257P53.3Low46.8Very low112 Ų112136.2 Ų136.273%0.72779%0.79SS**PPolyproline II helixtrans-71.4155.7174.131.5-35.5000111.9
258P53.2Low47.7Very low128 Ų128136.5 Ų136.583%0.83180%0.799SS**PPolyproline II helixtrans-71.6135.418029.1-34.5000112.4
259S50.4Low48.8Very low120 Ų120136.1 Ų136.184%0.83980%0.801SS**PPolyproline II helixtrans-67.9135.3176.3-56.30000112.2
260I45.3Very low49Very low162 Ų162137.6 Ų137.683%0.83181%0.806SS**PPolyproline II helixtrans-76.9131.5170.4-156.3164.4000109.4Q262I260-Q262 PolarHBondContact O-N 3.43Å
261L47.2Very low48.7Very low163 Ų163134.7 Ų134.785%0.85380%0.797SS**PPolyproline II helixtrans-70124.9-178-72.2169.9000110.6
262Q43.3Very low48.7Very low186 Ų186139.1 Ų139.187%0.86981%0.807SS**PPolyproline II helixtrans-76.9122.2173.3-67.9174.7-39.900109.5I260I260-Q262 PolarHBondContact O-N 3.43Å
263V43.2Very low48.5Very low141 Ų141140.1 Ų140.186%0.85581%0.809SS**  trans-86.1113.5174.2177.50000108.9
264T41.3Very low48.6Very low115 Ų115135.7 Ų135.771%0.70680%0.797SS**  trans-97.9134165.845.20000109.8Q266T264-Q266 PolarHBondContact O-N 2.81Å
265P43.5Very low48.2Very low129 Ų129142.3 Ų142.384%0.83880%0.803SS**  trans-77.1116172.730.1-31.4000109.6
266Q44.3Very low47.7Very low179 Ų179143 Ų14384%0.83680%0.804SS**  trans-110.2119.7171.2-166174.2102.600109T264T264-Q266 PolarHBondContact O-N 2.81Å
267L57.1Low46.7Very low166 Ų166145.5 Ų145.587%0.86981%0.806SS**  trans-70.8126.9176.4-64170.2000109.8L269L267-L269 PolarHBondContact O-N 2.87Å
268P48.9Very low46.1Very low127 Ų127149.2 Ų149.283%0.82581%0.813SS**  trans-80.4107.6171.830.4-30.7000110.5
269L56.2Low45.3Very low152 Ų152149.6 Ų149.680%0.79681%0.808SS**  trans-74.4155.1163.7-161.771000109.8L267L267-L269 PolarHBondContact O-N 2.87Å
270M46.9Very low45Very low166 Ų166151.2 Ų151.282%0.81881%0.806SS**  trans72.793.2173.9-123.975.574.300116.7
271G44.7Very low44.7Very low58 Ų58148.8 Ų148.860%0.59880%0.804SS**  trans-84.5138.8160.200000112.4
272F40Very low44.6Very low209 Ų209148 Ų14892%0.91780%0.8SS**  trans61.279.9150.9-50.1-74.6000119.6A274F272-A274 PolarHBondContact O-N 3.46Å
273V44.1Very low44.7Very low129 Ų129145.4 Ų145.478%0.78280%0.797SS**  trans-83.599.2145.3179.80000108.4R275V273-R275 PolarHBondContact O-N 2.85Å
274A43.4Very low45.2Very low82 Ų82144 Ų14468%0.67879%0.791SS**  trans-70.6111.3170.800000109.8F272 V276F272-A274 PolarHBondContact O-N 3.46Å; A274-V276 PolarHBondContact O-N 3.01Å
275R50Low45.9Very low232 Ų232144.2 Ų144.288%0.87580%0.795SS**  trans-7673.4168-77.1-174.7172.380.5-1.6110V273 Q277V273-R275 PolarHBondContact O-N 2.85Å; R275-Q277 PolarHBondContact O-N 2.91Å
276V46.3Very low46.6Very low131 Ų131143.8 Ų143.879%0.79479%0.792SS**PPolyproline II helixtrans-64.4122.5164.8157.10000108.2A274A274-V276 PolarHBondContact O-N 3.01Å
277Q37.4Very low47.3Very low169 Ų169141 Ų14179%0.7979%0.789SS**PPolyproline II helixtrans-83.3121.4-179.8178.5167.6-1200109.4R275 N279R275-Q277 PolarHBondContact O-N 2.91Å; Q277-N279 PolarHBondContact O-N 2.94Å; Q277-N279 PolarHBondContact O-ND2 2.87Å
278E41.3Very low47.1Very low189 Ų189138.7 Ų138.788%0.88378%0.784SS**PPolyproline II helixtrans-60.8137.5-178.8-68.7-154.6133.900112.7
279N36.4Very low47.2Very low136 Ų136138.7 Ų138.773%0.72778%0.784SS**  trans-142.6104.5157.450.1104.8000108.4Q277Q277-N279 PolarHBondContact O-N 2.94Å; Q277-N279 PolarHBondContact O-ND2 2.87Å
280I44.8Very low46.8Very low155 Ų155138.3 Ų138.380%0.79579%0.788SS**  trans28.3110.714950.8154.4000118.9
281S38Very low46.8Very low111 Ų111139.1 Ų139.178%0.77679%0.789SS**  172.9127.9106.9-730000114
282D45.9Very low46.8Very low146 Ų146144.9 Ų144.978%0.78180%0.801SS**  trans55.295.3136.7-144.2-92.6000121.4
283T45.8Very low47.3Very low131 Ų131140.2 Ų140.280%0.80479%0.792SS**  -176.9153.9122.119.50000111.6
284P53.3Low47.6Very low111 Ų111140.1 Ų140.172%0.72179%0.791SS**PPolyproline II helixtrans-87.1161.5-173.535.3-35.5000114
285P55.2Low47.5Very low121 Ų121145.6 Ų145.679%0.78680%0.8SS**PPolyproline II helixtrans-80.8144.4-177.232.6-35.4000113.6
286P58.7Low47.7Very low119 Ų119141.3 Ų141.377%0.77379%0.794SS**PPolyproline II helixtrans-76.7157168.931.5-33.7000112.9
287P58.6Low48.1Very low120 Ų120143.2 Ų143.278%0.77979%0.794SS**PPolyproline II helixtrans-85.1162.1-169.134-37.4000115.5
288P52.9Low49Very low118 Ų118139.7 Ų139.777%0.76679%0.788SS**PPolyproline II helixtrans-73.7169.9171.333.8-36.6000112.8
289P50.6Low49.9Very low127 Ų127136.1 Ų136.183%0.82578%0.782SS**PPolyproline II helixtrans-85.3163.1-144.134.3-37.8000115.6
290V47.5Very low50.8Low144 Ų144134.9 Ų134.987%0.87378%0.781SS**  trans-119.8138.7166.8177.70000108.5
291E46.8Very low51.4Low183 Ų183132.9 Ų132.986%0.85578%0.778SS**  trans-72.5145-174-61.7169.4134.500113.1
292E45.9Very low52.6Low179 Ų179133 Ų13384%0.83678%0.777SS**  trans19139.8144.2-67.5-155.4174.400120.7
293P50.6Low53.2Low112 Ų112131.4 Ų131.473%0.72777%0.774SS**  -151153.96538.2-17.6000119.7
294V49.2Very low53.7Low127 Ų127130.5 Ų130.577%0.7777%0.771SS**  trans49.6106.6142.8-176.10000118.2
295F42.4Very low53.8Low197 Ų197130.7 Ų130.786%0.86477%0.771SS**  trans-125.1132.7131.6-154.1-94.7000108.9E297F295-E297 PolarHBondContact O-N 2.73Å
296D54.5Low53.6Low141 Ų141132 Ų13275%0.75477%0.767SS**  trans-76.298.8-179.7-172.268.2000109
297E54.8Low52.5Low171 Ų171133.4 Ų133.480%0.79977%0.768SS**  trans-113.2129.7163.5-169.9103.7100.700106F295F295-E297 PolarHBondContact O-N 2.73Å
298S56.3Low52.2Low95 Ų95136.6 Ų136.666%0.66477%0.766SS**PPolyproline II helixtrans-52147.6-165.2-59.60000113.2
299P58.9Low51.4Low114 Ų114139.5 Ų139.574%0.7477%0.77SS**PPolyproline II helixtrans-52.9138.617224.5-34.2000108.8
300P55.6Low50.9Low110 Ų110141.2 Ų141.271%0.71477%0.766SS**PPolyproline II helixtrans-53.5148.7173.324.9-33.9000108.6
301P57.5Low50.8Low113 Ų113144 Ų14473%0.73477%0.77SS**PPolyproline II helixtrans-50.8141173.624.4-34000108.2
302P63.4Low50.5Low115 Ų115142.4 Ų142.475%0.74776%0.763SS**PPolyproline II helixtrans-51.6141.4177.723.7-33.7000108.3
303P58.5Low50.3Low112 Ų112137.6 Ų137.673%0.72775%0.753SS**PPolyproline II helixtrans-51.1144.4172.924.4-33.6000108.2
304P57.6Low49.8Very low112 Ų112136.8 Ų136.873%0.72776%0.756SS**PPolyproline II helixtrans-50.4141.1170.525-33.7000108E306P304-E306 PolarHBondContact O-N 2.82Å
305P53.9Low49.7Very low114 Ų114136.3 Ų136.374%0.7475%0.753SS**PPolyproline II helixtrans-52.4143179.523.9-33.9000109.3D307P305-D307 PolarHBondContact O-N 2.57Å
306E51.8Low50Low149 Ų149131.9 Ų131.970%0.69674%0.742SS**  trans-67.673.6-179.1-69.1-178.8128.900111.3P304 Y308P304-E306 PolarHBondContact O-N 2.82Å; E306-Y308 HydrophobicContact CB-CD2 3.75Å; E306-Y308 HydrophobicContact CB-CE2 3.72Å; E306-Y308 HydrophobicContact CG-CD2 4.3Å; E306-Y308 HydrophobicContact CG-CE2 3.75Å; E306-Y308 PolarHBondContact O-N 2.7Å; E306-Y308 WeakPolarHBondContact OE1-CE2 3.36Å; E306-Y308 PolarHBondContact OE1-OH 3.45Å
307D36.1Very low49.6Very low149 Ų149132.6 Ų132.680%0.79774%0.741SS**  trans-71.576151.5-81.3-31.3000107.4P305 E309P305-D307 PolarHBondContact O-N 2.57Å; D307-E309 PolarHBondContact O-N 3.25Å
308Y50.5Low49Very low187 Ų187133.2 Ų133.273%0.73374%0.737SS**  trans-70.176.2155.2-69.2-77.3000108.4E306E306-Y308 HydrophobicContact CB-CD2 3.75Å; E306-Y308 HydrophobicContact CB-CE2 3.72Å; E306-Y308 HydrophobicContact CG-CD2 4.3Å; E306-Y308 HydrophobicContact CG-CE2 3.75Å; E306-Y308 PolarHBondContact O-N 2.7Å; E306-Y308 WeakPolarHBondContact OE1-CE2 3.36Å; E306-Y308 PolarHBondContact OE1-OH 3.45Å
309E36.8Very low48.5Very low179 Ų179132.8 Ų132.884%0.83673%0.734SS**  trans-100.890.9146-70.1-164170.700106.9D307 E311D307-E309 PolarHBondContact O-N 3.25Å; E309-E311 PolarHBondContact O-N 3.32Å
310E39.8Very low48Very low162 Ų162129.7 Ų129.776%0.75771%0.711SS**  trans-25.7111162-176.3165.2-156.400111.9E312E310-E312 HydrophobicContact CG-CB 4.08Å; E310-E312 HydrophobicContact CG-CG 4Å; E310-E312 PolarHBondContact O-N 2.94Å
311E45.1Very low48.1Very low204 Ų204130 Ų13095%0.95371%0.713SS**  trans-68.757.9159.1-71.1-171.5122.300109.1E309E309-E311 PolarHBondContact O-N 3.32Å
312E40.5Very low47.9Very low149 Ų149131.8 Ų131.870%0.69671%0.706SS**  trans-52.5153.4151.5-111.2-135.8121.900107.6E310 A314E310-E312 HydrophobicContact CG-CB 4.08Å; E310-E312 HydrophobicContact CG-CG 4Å; E310-E312 PolarHBondContact O-N 2.94Å; E312-A314 PolarHBondContact O-N 2.83Å
313A41.6Very low47.5Very low77 Ų77129.6 Ų129.664%0.63670%0.698SS**  trans-42.7130.7-176.200000111.1V315A313-V315 PolarHBondContact O-N 2.81Å
314A41.3Very low47.3Very low95 Ų95131.7 Ų131.779%0.78570%0.698SS**  trans-6669.4163.900000109.6E312 V316E312-A314 PolarHBondContact O-N 2.83Å; A314-V316 PolarHBondContact O-N 2.83Å
315V47Very low47.9Very low118 Ų118135.2 Ų135.272%0.71571%0.705SS**  trans-51.585.3132.8-176.70000104.4A313 E317A313-V315 PolarHBondContact O-N 2.81Å; V315-E317 PolarHBondContact O-N 3Å
316V47.8Very low49Very low104 Ų104132.7 Ų132.763%0.6369%0.685SS**  trans-56.995.7150.3177.20000102.7A314 Y318A314-V316 PolarHBondContact O-N 2.83Å; V316-Y318 HydrophobicContact CG1-CD2 4.07Å; V316-Y318 PolarHBondContact O-N 3.18Å
317E47.8Very low50.5Low155 Ų155127.5 Ų127.572%0.72467%0.665SS**  trans-60.591.9169.1-173.5178.2167.900104.1V315 S319V315-E317 PolarHBondContact O-N 3Å; E317-S319 PolarHBondContact O-N 2.74Å; E317-S319 PolarHBondContact O-OG 2.64Å
318Y42.2Very low52.8Low185 Ų185127.2 Ų127.273%0.72567%0.671SS**  trans-75.976.9179.7-147.6-85.7000104V316 D320V316-Y318 HydrophobicContact CG1-CD2 4.07Å; V316-Y318 PolarHBondContact O-N 3.18Å; Y318-D320 PolarHBondContact O-N 2.83Å
319S44.5Very low54.5Low85 Ų85122.3 Ų122.359%0.59465%0.651SS**  trans-61.481.7171.5-48.60000106.2E317 P321E317-S319 PolarHBondContact O-N 2.74Å; E317-S319 PolarHBondContact O-OG 2.64Å; S319-P321 VanDerWaalsContact O-CD 3.28Å; S319-P321 WeakPolarHBondContact O-CD 3.03Å; S319-P321 VanDerWaalsContact O-N 3.11Å
320D49.7Very low56.9Low50 Ų50114.5 Ų114.527%0.26762%0.617SS.*  trans-54119.1170.8177-2.6000105Y318 Y322 A323Y318-D320 PolarHBondContact O-N 2.83Å; D320-Y322 PolarHBondContact O-N 3.35Å; D320-Y322 WeakPolarHBondContact OD1-CB 3.41Å; D320-Y322 PolarHBondContact OD1-N 3.23Å; D320-A323 HydrophobicContact CB-CB 3.95Å; D320-A323 WeakPolarHBondContact O-CA 3.2Å; D320-A323 WeakPolarHBondContact O-CB 3.3Å; D320-A323 PolarHBondContact O-N 3.31Å
321P57.1Low59.3Low117 Ų117108.2 Ų108.276%0.7659%0.59SS**THydrogen-bonded Turntrans-65.92.3178.627.6-34.7000112.7S319S319-P321 VanDerWaalsContact O-CD 3.28Å; S319-P321 WeakPolarHBondContact O-CD 3.03Å; S319-P321 VanDerWaalsContact O-N 3.11Å
322Y53.3Low61.2Low149 Ų149110.8 Ų110.858%0.58459%0.591SS**THydrogen-bonded Turntrans-108-2.5164.8-79.8-76.3000115.5D320 E324D320-Y322 PolarHBondContact O-N 3.35Å; D320-Y322 WeakPolarHBondContact OD1-CB 3.41Å; D320-Y322 PolarHBondContact OD1-N 3.23Å; Y322-E324 PolarHBondContact O-N 3.49Å
323A53.7Low63.5Low69 Ų69107.5 Ų107.557%0.5759%0.589SS**  trans-76.265.5160.600000109.1D320 E325D320-A323 HydrophobicContact CB-CB 3.95Å; D320-A323 WeakPolarHBondContact O-CA 3.2Å; D320-A323 WeakPolarHBondContact O-CB 3.3Å; D320-A323 PolarHBondContact O-N 3.31Å; A323-E325 PolarHBondContact O-N 3.22Å
324E55.9Low65.8Low156 Ų156107.7 Ų107.773%0.72957%0.574SS**  trans-44.2128.9157.9-59.3-86.8144.300107.5Y322 D326Y322-E324 PolarHBondContact O-N 3.49Å; E324-D326 PolarHBondContact O-N 2.8Å
325E68.7Low68.2Low186 Ų186108.6 Ų108.687%0.86957%0.565SS**  trans-42.5129.6-176.7-62.1-179.4147.600110.4A323 P327A323-E325 PolarHBondContact O-N 3.22Å; E325-P327 VanDerWaalsContact O-N 3.11Å
326D77.5Confident70.3Confident62 Ų62104.6 Ų104.633%0.33254%0.539SS..  trans-48.8125.2-177.1-88.5-23.4000108.6E324 A330 Y334 K337 Y361E324-D326 PolarHBondContact O-N 2.8Å; D326-A330 HydrophobicContact CB-CB 4.05Å; D326-Y334 WeakPolarHBondContact OD2-CE1 3.49Å; D326-Y334 PolarHBondContact OD2-OH 2.81Å; D326-K337 IonicContact OD1-NZ 2.63Å; D326-K337 PolarHBondContact OD1-NZ 3.15Å; D326-Y361 PolarHBondContact OD1-OH 3.16Å
327P84.5Confident72.4Confident40 Ų40102.2 Ų102.226%0.2652%0.52SS..  trans-58.5153.5-162.523-35000110.5E325 W329 A330E325-P327 VanDerWaalsContact O-N 3.11Å; P327-W329 HydrophobicContact CG-CD2 4.13Å; P327-W329 VanDerWaalsContact CG-CE2 3.47Å; P327-W329 HydrophobicContact CG-CH2 4.37Å; P327-W329 HydrophobicContact CG-CZ2 3.63Å; P327-W329 PolarHBondContact O-N 2.9Å; P327-A330 HydrophobicContact CG-CB 4.27Å; P327-A330 WeakPolarHBondContact O-CA 3.33Å; P327-A330 WeakPolarHBondContact O-CB 3.4Å; P327-A330 PolarHBondContact O-N 2.9Å
328P84.3Confident74.7Confident142 Ų14294.9 Ų94.992%0.92249%0.486SS*.THydrogen-bonded Turntrans-63.1-10.2-167.224.1-35.9000115.5
329W85.1Confident77.2Confident85 Ų8586.2 Ų86.232%0.32245%0.452SS..THydrogen-bonded Turntrans-87.5-15.6171.361.9-105.9000114.1P327 Y361 V374P327-W329 HydrophobicContact CG-CD2 4.13Å; P327-W329 VanDerWaalsContact CG-CE2 3.47Å; P327-W329 HydrophobicContact CG-CH2 4.37Å; P327-W329 HydrophobicContact CG-CZ2 3.63Å; P327-W329 PolarHBondContact O-N 2.9Å; W329-Y361 AromaticContact CH2-CD2 3.98Å; W329-Y361 HydrophobicContact CH2-CD2 3.98Å; W329-Y361 AromaticContact CH2-CE2 3.58Å; W329-Y361 HydrophobicContact CH2-CE2 3.58Å; W329-Y361 AromaticContact CZ3-CD2 3.7Å; W329-Y361 HydrophobicContact CZ3-CD2 3.7Å; W329-Y361 AromaticContact CZ3-CE2 3.71Å; W329-Y361 HydrophobicContact CZ3-CE2 3.71Å; W329-V374 HydrophobicContact CE3-CG1 4.11Å; W329-V374 HydrophobicContact CZ3-CG1 4.27Å
330A87.9Confident79.6Confident15 Ų1582.1 Ų82.112%0.12442%0.423CS..SBendtrans-65.9139.7179.300000109.7D326 P327 R332 Y361D326-A330 HydrophobicContact CB-CB 4.05Å; P327-A330 HydrophobicContact CG-CB 4.27Å; P327-A330 WeakPolarHBondContact O-CA 3.33Å; P327-A330 WeakPolarHBondContact O-CB 3.4Å; P327-A330 PolarHBondContact O-N 2.9Å; A330-R332 PolarHBondContact O-N 3.41Å; A330-Y361 HydrophobicContact CB-CD2 4.2Å; A330-Y361 HydrophobicContact CB-CE1 4.27Å; A330-Y361 HydrophobicContact CB-CE2 3.87Å
331P88.9Confident81.7Confident29 Ų2981.3 Ų81.319%0.18842%0.419CS..  trans-66.4136.6177.729-34.5000109.5A333 Y334 Y361 I363 V374P331-A333 PolarHBondContact O-N 3.08Å; P331-Y334 HydrophobicContact CG-CD1 4.43Å; P331-Y334 WeakPolarHBondContact O-CD1 3.27Å; P331-Y361 HydrophobicContact CG-CG 4.3Å; P331-I363 HydrophobicContact CB-CG2 4.11Å; P331-I363 HydrophobicContact CG-CG2 3.88Å; P331-V374 HydrophobicContact CB-CG2 4.36Å; P331-V374 HydrophobicContact CG-CB 4.14Å; P331-V374 HydrophobicContact CG-CG2 3.95Å
332R85.8Confident83.4Confident259 Ų25978 Ų7898%0.97739%0.391SS*.SBendtrans-66.6-18.1176.3-63.5-175.5-178.9-170.3-1.9113.8A330A330-R332 PolarHBondContact O-N 3.41Å
333A88.3Confident85.4Confident80 Ų8075.2 Ų75.266%0.66139%0.387SS*.SBendtrans-129.7119.2176.700000108.4P331P331-A333 PolarHBondContact O-N 3.08Å
334Y90.6Very high87.3Confident81 Ų8172.6 Ų72.632%0.31836%0.362SS..  trans-140.8153.1173.854.9-94.2000109.3D326 P331 K337 Y361 V362D326-Y334 WeakPolarHBondContact OD2-CE1 3.49Å; D326-Y334 PolarHBondContact OD2-OH 2.81Å; P331-Y334 HydrophobicContact CG-CD1 4.43Å; P331-Y334 WeakPolarHBondContact O-CD1 3.27Å; Y334-K337 HydrophobicContact CE2-CB 4.19Å; Y334-Y361 AromaticContact CD1-CD1 3.65Å; Y334-Y361 HydrophobicContact CD1-CD1 3.65Å; Y334-Y361 HydrophobicContact CD1-CE1 4.45Å; Y334-Y361 HydrophobicContact CD1-CG 4.44Å; Y334-Y361 HydrophobicContact CD2-CD1 4.19Å; Y334-Y361 AromaticContact CE1-CD1 3.54Å; Y334-Y361 HydrophobicContact CE1-CD1 3.54Å; Y334-Y361 AromaticContact CE1-CE1 3.9Å; Y334-Y361 HydrophobicContact CE1-CE1 3.9Å; Y334-Y361 HydrophobicContact CE2-CD1 4.1Å; Y334-Y361 AromaticContact CG-CD1 3.96Å; Y334-Y361 HydrophobicContact CG-CD1 3.96Å; Y334-Y361 AromaticContact CZ-CD1 3.76Å; Y334-Y361 AromaticContact CZ-CE1 3.96Å; Y334-V362 CarbonylContact C-O 3.47Å; Y334-V362 WeakPolarHBondContact CA-O 3.47Å; Y334-V362 WeakPolarHBondContact CB-O 3.31Å
335L91.4Very high89.2Confident114 Ų11470.3 Ų70.360%0.59736%0.359SS*.SBendtrans-75.7-39.8175.5-61.9176000111.4V362 K365L335-V362 PolarHBondContact N-O 3.27Å; L335-K365 HydrophobicContact CD1-CG 4.37Å
336E91.4Very high90.4Very high34 Ų3465.8 Ų65.816%0.15934%0.336CS..EExtended strand (participates in β ladder)trans-161.7148.7-174-170.5168.3-148.100112.2V338 V362 K365 S389E336-V338 HydrophobicContact CB-CG1 4.45Å; E336-V338 HydrophobicContact CG-CG1 3.98Å; E336-V362 HydrophobicContact CB-CB 4.44Å; E336-V362 WeakPolarHBondContact O-CB 3.46Å; E336-V362 PolarHBondContact O-N 2.87Å; E336-K365 IonicContact OE2-NZ 2.64Å; E336-K365 PolarHBondContact OE2-NZ 3.38Å; E336-S389 VanDerWaalsContact CD-OG 3.27Å; E336-S389 WeakPolarHBondContact OE1-CB 3.26Å; E336-S389 PolarHBondContact OE1-OG 3.44Å
337K92.6Very high91Very high54 Ų5469.1 Ų69.124%0.23535%0.354CS..EExtended strand (participates in β ladder)trans-96.2122.3169.7-159.5171.4-177.5162.10108.6D326 Y334 I359 Y361 I390D326-K337 IonicContact OD1-NZ 2.63Å; D326-K337 PolarHBondContact OD1-NZ 3.15Å; Y334-K337 HydrophobicContact CE2-CB 4.19Å; K337-I359 HydrophobicContact CD-CG2 4.38Å; K337-I359 HydrophobicContact CG-CG2 3.89Å; K337-Y361 HydrophobicContact CD-CD1 4.48Å; K337-Y361 HydrophobicContact CD-CE1 3.79Å; K337-Y361 WeakPolarHBondContact CE-OH 3.12Å; K337-Y361 HydrophobicContact CG-CD1 4.21Å; K337-Y361 HydrophobicContact CG-CE1 3.95Å; K337-Y361 PolarHBondContact NZ-OH 3.36Å; K337-Y361 VanDerWaalsContact NZ-OH 3.12Å; K337-I390 HydrophobicContact CG-CD1 4.01Å; K337-I390 WeakPolarHBondContact O-CB 3.43Å; K337-I390 PolarHBondContact O-N 3.13Å
338V94.6Very high91.4Very high1 Ų170.3 Ų70.31%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-123.7151.3-176.7-56.10000111.6E336 I360 V362 F382 V387 E388 I390E336-V338 HydrophobicContact CB-CG1 4.45Å; E336-V338 HydrophobicContact CG-CG1 3.98Å; V338-I360 HydrophobicContact CG2-CB 3.91Å; V338-I360 WeakPolarHBondContact CG2-O 3.29Å; V338-I360 PolarHBondContact N-O 2.93Å; V338-I360 PolarHBondContact O-N 3.44Å; V338-V362 HydrophobicContact CB-CG2 4.35Å; V338-V362 HydrophobicContact CG1-CG2 3.65Å; V338-V362 HydrophobicContact CG2-CG2 3.73Å; V338-F382 HydrophobicContact CG2-CZ 4.33Å; V338-V387 HydrophobicContact CB-CB 3.96Å; V338-V387 HydrophobicContact CB-CG2 4.13Å; V338-V387 HydrophobicContact CG1-CG2 4.42Å; V338-V387 HydrophobicContact CG2-CB 3.79Å; V338-V387 HydrophobicContact CG2-CG1 3.91Å; V338-V387 HydrophobicContact CG2-CG2 3.94Å; V338-E388 CarbonylContact C-O 3.43Å; V338-E388 VanDerWaalsContact CA-O 3.27Å; V338-E388 WeakPolarHBondContact CA-O 3.14Å; V338-E388 WeakPolarHBondContact CB-O 3Å; V338-I390 WeakPolarHBondContact O-CD1 3.41Å
339V95Very high91.8Very high2 Ų272 Ų721%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-100.9144.5170.573.50000109.3W8 I341 A358 I359 V387 E388 I390W8-V339 HydrophobicContact CH2-CB 3.8Å; W8-V339 HydrophobicContact CH2-CG1 3.41Å; W8-V339 VanDerWaalsContact CH2-CG1 3.41Å; W8-V339 HydrophobicContact CH2-CG2 4.25Å; W8-V339 HydrophobicContact CZ2-CB 4.5Å; W8-V339 HydrophobicContact CZ2-CG1 3.66Å; V339-I341 HydrophobicContact CG1-CG2 4.17Å; V339-A358 CarbonylContact C-O 3.55Å; V339-A358 WeakPolarHBondContact CA-O 3.21Å; V339-I359 HydrophobicContact CB-CD1 4.46Å; V339-I359 HydrophobicContact CG2-CD1 4.2Å; V339-V387 CarbonylContact O-C 3.6Å; V339-V387 WeakPolarHBondContact O-CA 3.16Å; V339-V387 WeakPolarHBondContact O-CB 3.49Å; V339-E388 HydrophobicContact CG1-CB 4.08Å; V339-E388 PolarHBondContact N-O 3.13Å; V339-E388 PolarHBondContact O-N 2.91Å; V339-I390 HydrophobicContact CB-CD1 4.08Å; V339-I390 HydrophobicContact CB-CG1 3.99Å
340A95.3Very high92.3Very high0 Ų071.5 Ų71.50%035%0.354CS..EExtended strand (participates in β ladder)trans-73.7128.116500000111.1F354 Q355 G357 A358 Y386A340-F354 HydrophobicContact CB-CD2 3.38Å; A340-F354 HydrophobicContact CB-CE2 3.51Å; A340-F354 HydrophobicContact CB-CG 4.41Å; A340-Q355 WeakPolarHBondContact CB-O 3.08Å; A340-G357 PolarHBondContact O-N 3.09Å; A340-A358 HydrophobicContact CB-CB 4.16Å; A340-A358 PolarHBondContact N-O 2.82Å; A340-Y386 CarbonylContact C-O 3.55Å; A340-Y386 WeakPolarHBondContact CA-O 3.28Å
341I94.6Very high92.7Very high33 Ų3371 Ų7117%0.16935%0.35CS..SBendtrans-100.8-5.2172.255.2159.3000113.3V339 Y386 E388V339-I341 HydrophobicContact CG1-CG2 4.17Å; I341-Y386 WeakPolarHBondContact CG1-O 3.07Å; I341-Y386 PolarHBondContact N-O 3.13Å; I341-E388 HydrophobicContact CD1-CG 4.01Å; I341-E388 HydrophobicContact CG1-CG 4.4Å; I341-E388 HydrophobicContact CG2-CB 4Å; I341-E388 HydrophobicContact CG2-CG 3.69Å
342Y92.8Very high93.1Very high46 Ų4669.9 Ų69.918%0.1834%0.342CS..SBendtrans-145.8154.8171.7-57.7-75.4000110.6P34 F354P34-Y342 HydrophobicContact CB-CE2 4.48Å; P34-Y342 VanDerWaalsContact CD-CD2 3.49Å; P34-Y342 HydrophobicContact CG-CD2 3.58Å; P34-Y342 HydrophobicContact CG-CE2 3.57Å; P34-Y342 HydrophobicContact CG-CG 4.37Å; Y342-F354 WeakPolarHBondContact O-CE2 3.44Å
343D93.9Very high93.6Very high91 Ų9159.9 Ų59.949%0.48731%0.312SS..  trans-63.1135.4168-68.1-21.4000111.6Q355 E356D343-Q355 WeakPolarHBondContact OD1-CA 3.35Å; D343-E356 PolarHBondContact OD1-N 2.95Å
344Y95.2Very high94Very high14 Ų1456.6 Ų56.66%0.05528%0.283CS..BIsolated β-bridgetrans-126.5127.3171.1-170.7-101.1000111.5E351 L352 S353 F354 W370 P383 Y386Y344-E351 PolarHBondContact OH-OE2 3.03Å; Y344-E351 VanDerWaalsContact OH-OE2 3.07Å; Y344-L352 WeakPolarHBondContact CD1-O 3.18Å; Y344-S353 CarbonylContact O-C 3.58Å; Y344-S353 VanDerWaalsContact O-CA 3.29Å; Y344-S353 WeakPolarHBondContact O-CA 3.24Å; Y344-F354 HydrophobicContact CD1-CE1 4.27Å; Y344-F354 HydrophobicContact CG-CE1 4.38Å; Y344-F354 HydrophobicContact CG-CZ 4.24Å; Y344-F354 PolarHBondContact N-O 2.88Å; Y344-F354 PolarHBondContact O-N 3.1Å; Y344-W370 WeakPolarHBondContact OH-CH2 3.33Å; Y344-P383 HydrophobicContact CD2-CG 3.56Å; Y344-P383 HydrophobicContact CE2-CG 3.51Å; Y344-P383 HydrophobicContact CG-CG 4.19Å; Y344-Y386 AromaticContact CD2-CD1 3.98Å; Y344-Y386 HydrophobicContact CD2-CD1 3.98Å; Y344-Y386 AromaticContact CD2-CE1 3.93Å; Y344-Y386 HydrophobicContact CD2-CE1 3.93Å; Y344-Y386 HydrophobicContact CD2-CG 4.47Å; Y344-Y386 HydrophobicContact CG-CD1 4.47Å
345T95.1Very high94.2Very high108 Ų10859.7 Ų59.766%0.66330%0.3SS*.  trans-112.5126.2172.8-50.60000107.4
346K92.7Very high94.2Very high92 Ų9258.5 Ų58.540%0.429%0.291SS..  trans-61.5137.2178.274.1-176.5-161.4164.20112.7K348 E349 E351 S353K346-K348 VanDerWaalsContact CD-O 3.23Å; K346-K348 WeakPolarHBondContact CD-O 3.12Å; K346-K348 WeakPolarHBondContact CG-O 3.47Å; K346-E349 PolarHBondContact NZ-O 3.11Å; K346-E351 HydrophobicContact CB-CB 3.58Å; K346-E351 WeakPolarHBondContact CD-O 3.2Å; K346-S353 WeakPolarHBondContact CB-OG 3.5Å; K346-S353 VanDerWaalsContact CG-OG 3.3Å; K346-S353 WeakPolarHBondContact CG-OG 3.43Å; K346-S353 PolarHBondContact N-OG 2.8Å
347D91.2Very high94.2Very high132 Ų13257.5 Ų57.571%0.70629%0.29SS*.SBendtrans-89.1-35.7169.5-169.2-110.1000110.3E351D347-E351 PolarHBondContact N-OE2 2.83Å
348K92.8Very high94.2Very high65 Ų6555.9 Ų55.928%0.28329%0.287SS..SBendtrans-112.3172.5-179.3-53-165.8-138.880.60114.1K346 D350 E351K346-K348 VanDerWaalsContact CD-O 3.23Å; K346-K348 WeakPolarHBondContact CD-O 3.12Å; K346-K348 WeakPolarHBondContact CG-O 3.47Å; K348-D350 WeakPolarHBondContact CB-OD1 3.46Å; K348-E351 HydrophobicContact CB-CG 4.29Å; K348-E351 PolarHBondContact N-OE2 2.84Å; K348-E351 VanDerWaalsContact N-OE2 3.16Å; K348-E351 IonicContact NZ-OE1 2.68Å; K348-E351 PolarHBondContact NZ-OE1 3.07Å
349E93.3Very high94.2Very high176 Ų17658.2 Ų58.282%0.82230%0.299SS*.THydrogen-bonded Turntrans-72.2-35.1179.362.5-175.5179.400113.4K346 E351K346-E349 PolarHBondContact NZ-O 3.11Å; E349-E351 VanDerWaalsContact C-N 3.28Å; E349-E351 PolarHBondContact O-N 2.93Å
350D95.4Very high94.3Very high75 Ų7558.1 Ų58.140%0.40130%0.298SS..THydrogen-bonded Turntrans-76.3-6.6179.657.6-51.3000114.4K348 G380 L381K348-D350 WeakPolarHBondContact CB-OD1 3.46Å; D350-G380 CarbonylContact O-C 3.55Å; D350-G380 VanDerWaalsContact O-CA 3.28Å; D350-G380 WeakPolarHBondContact O-CA 3.34Å; D350-L381 PolarHBondContact O-N 3.19Å
351E96.4Very high94.3Very high6 Ų658.4 Ų58.43%0.02830%0.299CS..BIsolated β-bridgetrans-93.2150.9-178.1-76.7169.8-163.900112.8Y344 K346 D347 K348 E349 W370 L381Y344-E351 PolarHBondContact OH-OE2 3.03Å; Y344-E351 VanDerWaalsContact OH-OE2 3.07Å; K346-E351 HydrophobicContact CB-CB 3.58Å; K346-E351 WeakPolarHBondContact CD-O 3.2Å; D347-E351 PolarHBondContact N-OE2 2.83Å; K348-E351 HydrophobicContact CB-CG 4.29Å; K348-E351 PolarHBondContact N-OE2 2.84Å; K348-E351 VanDerWaalsContact N-OE2 3.16Å; K348-E351 IonicContact NZ-OE1 2.68Å; K348-E351 PolarHBondContact NZ-OE1 3.07Å; E349-E351 VanDerWaalsContact C-N 3.28Å; E349-E351 PolarHBondContact O-N 2.93Å; E351-W370 HydrophobicContact CG-CH2 4.34Å; E351-W370 HydrophobicContact CG-CZ3 3.87Å; E351-W370 WeakPolarHBondContact OE1-CH2 3.39Å; E351-L381 CarbonylContact C-O 3.54Å; E351-L381 WeakPolarHBondContact CA-O 3.23Å; E351-L381 HydrophobicContact CG-CB 4.36Å
352L96.4Very high94.4Very high4 Ų456.9 Ų56.92%0.02129%0.291CS..  trans-102.6112.2-177.2-177.167.6000111Y344 F354 I360 M375 V378 L381 F382Y344-L352 WeakPolarHBondContact CD1-O 3.18Å; L352-F354 HydrophobicContact CG-CD1 4.38Å; L352-F354 VanDerWaalsContact O-CD1 3.31Å; L352-F354 WeakPolarHBondContact O-CD1 3.45Å; L352-I360 HydrophobicContact CD2-CD1 4.44Å; L352-I360 HydrophobicContact CD2-CG2 3.9Å; L352-M375 HydrophobicContact CD1-CB 4.43Å; L352-M375 HydrophobicContact CD1-CE 4.4Å; L352-M375 HydrophobicContact CD2-CB 4.04Å; L352-V378 HydrophobicContact CD1-CB 4.11Å; L352-V378 HydrophobicContact CD1-CG1 3.89Å; L352-L381 PolarHBondContact N-O 3.08Å; L352-F382 HydrophobicContact CB-CD1 4.48Å; L352-F382 HydrophobicContact CD2-CD1 4.12Å; L352-F382 HydrophobicContact CD2-CE1 4.46Å
353S96.1Very high94.6Very high49 Ų4957.3 Ų57.334%0.34330%0.296SS..  trans-79.8140.9172.2-60.90000112.1Y344 K346 M375Y344-S353 CarbonylContact O-C 3.58Å; Y344-S353 VanDerWaalsContact O-CA 3.29Å; Y344-S353 WeakPolarHBondContact O-CA 3.24Å; K346-S353 WeakPolarHBondContact CB-OG 3.5Å; K346-S353 VanDerWaalsContact CG-OG 3.3Å; K346-S353 WeakPolarHBondContact CG-OG 3.43Å; K346-S353 PolarHBondContact N-OG 2.8Å; S353-M375 WeakPolarHBondContact O-CE 3.49Å
354F96.2Very high94.6Very high12 Ų1257.9 Ų57.95%0.05329%0.294CS..BIsolated β-bridgetrans-156.2170176.252.9-99.7000112.3A340 Y342 Y344 L352 A358 I360 M375 F382 V387A340-F354 HydrophobicContact CB-CD2 3.38Å; A340-F354 HydrophobicContact CB-CE2 3.51Å; A340-F354 HydrophobicContact CB-CG 4.41Å; Y342-F354 WeakPolarHBondContact O-CE2 3.44Å; Y344-F354 HydrophobicContact CD1-CE1 4.27Å; Y344-F354 HydrophobicContact CG-CE1 4.38Å; Y344-F354 HydrophobicContact CG-CZ 4.24Å; Y344-F354 PolarHBondContact N-O 2.88Å; Y344-F354 PolarHBondContact O-N 3.1Å; L352-F354 HydrophobicContact CG-CD1 4.38Å; L352-F354 VanDerWaalsContact O-CD1 3.31Å; L352-F354 WeakPolarHBondContact O-CD1 3.45Å; F354-A358 HydrophobicContact CB-CB 3.94Å; F354-I360 HydrophobicContact CB-CD1 4.43Å; F354-I360 HydrophobicContact CD1-CD1 3.43Å; F354-I360 VanDerWaalsContact CD1-CD1 3.43Å; F354-I360 HydrophobicContact CD2-CD1 4.24Å; F354-I360 HydrophobicContact CE1-CD1 3.53Å; F354-I360 HydrophobicContact CE2-CD1 4.33Å; F354-I360 HydrophobicContact CG-CD1 3.79Å; F354-I360 HydrophobicContact CZ-CD1 3.99Å; F354-M375 HydrophobicContact CB-CE 3.8Å; F354-M375 HydrophobicContact CB-SD 3.67Å; F354-F382 HydrophobicContact CE1-CB 3.56Å; F354-F382 AromaticContact CE1-CD2 3.97Å; F354-F382 HydrophobicContact CE1-CD2 3.97Å; F354-F382 AromaticContact CE1-CG 3.82Å; F354-F382 HydrophobicContact CE1-CG 3.82Å; F354-F382 HydrophobicContact CZ-CB 4.2Å; F354-F382 HydrophobicContact CZ-CD2 4.12Å; F354-F382 HydrophobicContact CZ-CG 4.39Å; F354-V387 HydrophobicContact CZ-CG1 4.28Å
355Q96.1Very high94.7Very high146 Ų14661.1 Ų61.168%0.68231%0.309SS*.  trans-107.7159.6176.3-65.8-178.1-4900111.3A340 D343 G357 A358A340-Q355 WeakPolarHBondContact CB-O 3.08Å; D343-Q355 WeakPolarHBondContact OD1-CA 3.35Å; Q355-G357 PolarHBondContact O-N 2.82Å; Q355-A358 WeakPolarHBondContact O-CB 2.92Å; Q355-A358 PolarHBondContact O-N 2.83Å
356E91.8Very high94.7Very high88 Ų8857.9 Ų57.941%0.41129%0.288SS..THydrogen-bonded Turntrans-50.6134.1167.6-174.1-174150.700110.7D343 A358D343-E356 PolarHBondContact OD1-N 2.95Å; E356-A358 VanDerWaalsContact C-N 3.35Å
357G89.9Confident94.6Very high13 Ų1362.1 Ų62.113%0.13431%0.314CS..THydrogen-bonded Turntrans84.6-4.4-175.200000115.4A340 Q355A340-G357 PolarHBondContact O-N 3.09Å; Q355-G357 PolarHBondContact O-N 2.82Å
358A93.8Very high94.6Very high20 Ų2058.5 Ų58.517%0.16530%0.295CS..  trans-65.7143.4175.200000112.3V339 A340 F354 Q355 E356 M375V339-A358 CarbonylContact C-O 3.55Å; V339-A358 WeakPolarHBondContact CA-O 3.21Å; A340-A358 HydrophobicContact CB-CB 4.16Å; A340-A358 PolarHBondContact N-O 2.82Å; F354-A358 HydrophobicContact CB-CB 3.94Å; Q355-A358 WeakPolarHBondContact O-CB 2.92Å; Q355-A358 PolarHBondContact O-N 2.83Å; E356-A358 VanDerWaalsContact C-N 3.35Å; A358-M375 HydrophobicContact CB-SD 3.74Å
359I94.6Very high94.7Very high50 Ų5056.8 Ų56.826%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-99.1126.8177.7-52.2-62.7000109K337 V339 Y361 I390K337-I359 HydrophobicContact CD-CG2 4.38Å; K337-I359 HydrophobicContact CG-CG2 3.89Å; V339-I359 HydrophobicContact CB-CD1 4.46Å; V339-I359 HydrophobicContact CG2-CD1 4.2Å; I359-Y361 HydrophobicContact CG2-CE2 4.47Å; I359-I390 HydrophobicContact CD1-CD1 3.65Å; I359-I390 HydrophobicContact CG2-CD1 4.17Å
360I96Very high94.9Very high0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-127135.7-177.3-46.2175.7000109V338 L352 F354 M375 F382 V387V338-I360 HydrophobicContact CG2-CB 3.91Å; V338-I360 WeakPolarHBondContact CG2-O 3.29Å; V338-I360 PolarHBondContact N-O 2.93Å; V338-I360 PolarHBondContact O-N 3.44Å; L352-I360 HydrophobicContact CD2-CD1 4.44Å; L352-I360 HydrophobicContact CD2-CG2 3.9Å; F354-I360 HydrophobicContact CB-CD1 4.43Å; F354-I360 HydrophobicContact CD1-CD1 3.43Å; F354-I360 VanDerWaalsContact CD1-CD1 3.43Å; F354-I360 HydrophobicContact CD2-CD1 4.24Å; F354-I360 HydrophobicContact CE1-CD1 3.53Å; F354-I360 HydrophobicContact CE2-CD1 4.33Å; F354-I360 HydrophobicContact CG-CD1 3.79Å; F354-I360 HydrophobicContact CZ-CD1 3.99Å; I360-M375 HydrophobicContact CG1-CB 4.34Å; I360-M375 HydrophobicContact CG2-CB 4.49Å; I360-F382 HydrophobicContact CB-CZ 4.39Å; I360-F382 HydrophobicContact CD1-CE1 4.48Å; I360-F382 HydrophobicContact CD1-CE2 4.31Å; I360-F382 HydrophobicContact CD1-CZ 4.26Å; I360-F382 HydrophobicContact CG2-CD1 4.49Å; I360-F382 HydrophobicContact CG2-CE1 3.64Å; I360-F382 HydrophobicContact CG2-CZ 3.8Å; I360-V387 HydrophobicContact CD1-CG1 4.2Å
361Y95.8Very high95Very high7 Ų747.6 Ų47.63%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-95.7108.2174.9-61.2-93.4000108.5D326 W329 A330 P331 Y334 K337 I359 I363 G373 V374D326-Y361 PolarHBondContact OD1-OH 3.16Å; W329-Y361 AromaticContact CH2-CD2 3.98Å; W329-Y361 HydrophobicContact CH2-CD2 3.98Å; W329-Y361 AromaticContact CH2-CE2 3.58Å; W329-Y361 HydrophobicContact CH2-CE2 3.58Å; W329-Y361 AromaticContact CZ3-CD2 3.7Å; W329-Y361 HydrophobicContact CZ3-CD2 3.7Å; W329-Y361 AromaticContact CZ3-CE2 3.71Å; W329-Y361 HydrophobicContact CZ3-CE2 3.71Å; A330-Y361 HydrophobicContact CB-CD2 4.2Å; A330-Y361 HydrophobicContact CB-CE1 4.27Å; A330-Y361 HydrophobicContact CB-CE2 3.87Å; P331-Y361 HydrophobicContact CG-CG 4.3Å; Y334-Y361 AromaticContact CD1-CD1 3.65Å; Y334-Y361 HydrophobicContact CD1-CD1 3.65Å; Y334-Y361 HydrophobicContact CD1-CE1 4.45Å; Y334-Y361 HydrophobicContact CD1-CG 4.44Å; Y334-Y361 HydrophobicContact CD2-CD1 4.19Å; Y334-Y361 AromaticContact CE1-CD1 3.54Å; Y334-Y361 HydrophobicContact CE1-CD1 3.54Å; Y334-Y361 AromaticContact CE1-CE1 3.9Å; Y334-Y361 HydrophobicContact CE1-CE1 3.9Å; Y334-Y361 HydrophobicContact CE2-CD1 4.1Å; Y334-Y361 AromaticContact CG-CD1 3.96Å; Y334-Y361 HydrophobicContact CG-CD1 3.96Å; Y334-Y361 AromaticContact CZ-CD1 3.76Å; Y334-Y361 AromaticContact CZ-CE1 3.96Å; K337-Y361 HydrophobicContact CD-CD1 4.48Å; K337-Y361 HydrophobicContact CD-CE1 3.79Å; K337-Y361 WeakPolarHBondContact CE-OH 3.12Å; K337-Y361 HydrophobicContact CG-CD1 4.21Å; K337-Y361 HydrophobicContact CG-CE1 3.95Å; K337-Y361 PolarHBondContact NZ-OH 3.36Å; K337-Y361 VanDerWaalsContact NZ-OH 3.12Å; I359-Y361 HydrophobicContact CG2-CE2 4.47Å; Y361-I363 PolarHBondContact O-N 3.21Å; Y361-G373 CarbonylContact O-C 3.45Å; Y361-G373 WeakPolarHBondContact O-CA 3.3Å; Y361-V374 PolarHBondContact N-O 3.24Å; Y361-V374 PolarHBondContact O-N 3.27Å
362V96.8Very high95Very high0 Ų050.2 Ų50.20%026%0.261CS..EExtended strand (participates in β ladder)trans-73.6116.2-179.3-178.90000108.8Y334 L335 E336 V338 K364 K365 Y371 F382Y334-V362 CarbonylContact C-O 3.47Å; Y334-V362 WeakPolarHBondContact CA-O 3.47Å; Y334-V362 WeakPolarHBondContact CB-O 3.31Å; L335-V362 PolarHBondContact N-O 3.27Å; E336-V362 HydrophobicContact CB-CB 4.44Å; E336-V362 WeakPolarHBondContact O-CB 3.46Å; E336-V362 PolarHBondContact O-N 2.87Å; V338-V362 HydrophobicContact CB-CG2 4.35Å; V338-V362 HydrophobicContact CG1-CG2 3.65Å; V338-V362 HydrophobicContact CG2-CG2 3.73Å; V362-K364 WeakPolarHBondContact CG1-O 3.47Å; V362-K365 HydrophobicContact CG1-CG 3.76Å; V362-Y371 HydrophobicContact CG1-CG 4.49Å; V362-Y371 HydrophobicContact CG2-CD2 4.38Å; V362-F382 HydrophobicContact CG2-CZ 4.12Å
363I96.1Very high95Very high56 Ų5650 Ų5029%0.28726%0.26SS..EExtended strand (participates in β ladder)trans-94.8-22.1175.162.5175.5000112.1P331 Y361 E372 V374 T379P331-I363 HydrophobicContact CB-CG2 4.11Å; P331-I363 HydrophobicContact CG-CG2 3.88Å; Y361-I363 PolarHBondContact O-N 3.21Å; I363-E372 HydrophobicContact CD1-CG 4.06Å; I363-E372 HydrophobicContact CG1-CB 4.05Å; I363-E372 HydrophobicContact CG1-CG 4.07Å; I363-E372 WeakPolarHBondContact CG1-O 3.32Å; I363-E372 PolarHBondContact N-O 3.36Å; I363-V374 HydrophobicContact CD1-CG2 4.42Å; I363-V374 HydrophobicContact CG2-CG2 4.08Å; I363-T379 HydrophobicContact CD1-CG2 3.8Å
364K96Very high95.1Very high102 Ų10248.2 Ų48.244%0.44325%0.246SC..EExtended strand (participates in β ladder)trans-153.2147.2178.6-165.8-176.7173.5-161.80111.6V362 N366 Y371 E372V362-K364 WeakPolarHBondContact CG1-O 3.47Å; K364-N366 WeakPolarHBondContact CE-OD1 3.37Å; K364-N366 PolarHBondContact NZ-OD1 3.16Å; K364-Y371 CarbonylContact O-C 3.46Å; K364-Y371 WeakPolarHBondContact O-CA 3.42Å; K364-E372 HydrophobicContact CB-CB 3.81Å; K364-E372 PolarHBondContact N-O 2.59Å; K364-E372 VanDerWaalsContact N-O 3.11Å; K364-E372 PolarHBondContact O-N 2.86Å
365K96Very high95Very high83 Ų8348.7 Ų48.736%0.36125%0.249SC..EExtended strand (participates in β ladder)trans-118.2127167.1-60-172.9175.9-178.20108.5L335 E336 V362 Y371L335-K365 HydrophobicContact CD1-CG 4.37Å; E336-K365 IonicContact OE2-NZ 2.64Å; E336-K365 PolarHBondContact OE2-NZ 3.38Å; V362-K365 HydrophobicContact CG1-CG 3.76Å; K365-Y371 HydrophobicContact CB-CD1 3.69Å; K365-Y371 HydrophobicContact CB-CE1 3.77Å; K365-Y371 HydrophobicContact CD-CD1 4.16Å; K365-Y371 HydrophobicContact CD-CE1 3.74Å; K365-Y371 HydrophobicContact CD-CE2 4.21Å; K365-Y371 HydrophobicContact CG-CD1 3.57Å; K365-Y371 HydrophobicContact CG-CD2 4.41Å; K365-Y371 HydrophobicContact CG-CE1 3.66Å; K365-Y371 HydrophobicContact CG-CE2 4.47Å; K365-Y371 HydrophobicContact CG-CG 3.99Å
366N94.8Very high94.7Very high40 Ų4047.1 Ų47.121%0.21425%0.245CC..  trans-96.4151.9174.7-59.3-23.9000110.2K364 D368 G369 W370K364-N366 WeakPolarHBondContact CE-OD1 3.37Å; K364-N366 PolarHBondContact NZ-OD1 3.16Å; N366-D368 WeakPolarHBondContact CB-OD1 3.41Å; N366-D368 PolarHBondContact O-N 2.76Å; N366-D368 VanDerWaalsContact O-N 3.16Å; N366-G369 PolarHBondContact O-N 2.96Å; N366-W370 VanDerWaalsContact CB-O 3.27Å; N366-W370 WeakPolarHBondContact CB-O 3.36Å; N366-W370 PolarHBondContact N-O 2.68Å
367D92.1Very high94.7Very high180 Ų18045.1 Ų45.196%0.96325%0.248SC*.THydrogen-bonded Turntrans-69-10.6-178.1-53.9-53.7000114.2G369D367-G369 VanDerWaalsContact C-N 3.3Å
368D91.1Very high95Very high56 Ų5648.6 Ų48.630%0.29927%0.267SS..THydrogen-bonded Turntrans-85.60.3176.3632.9000113.7S40 N366 W370S40-D368 VanDerWaalsContact CB-OD2 3.26Å; S40-D368 WeakPolarHBondContact CB-OD2 3.34Å; S40-D368 PolarHBondContact OG-OD2 3.35Å; N366-D368 WeakPolarHBondContact CB-OD1 3.41Å; N366-D368 PolarHBondContact O-N 2.76Å; N366-D368 VanDerWaalsContact O-N 3.16Å; D368-W370 WeakPolarHBondContact OD1-CB 3.03Å; D368-W370 PolarHBondContact OD1-N 3.32Å; D368-W370 VanDerWaalsContact OD1-N 3.1Å
369G94.5Very high95.1Very high29 Ų2951.2 Ų51.230%0.29928%0.281SS..SBendtrans89.85.2-179.600000114.6N366 D367 G384N366-G369 PolarHBondContact O-N 2.96Å; D367-G369 VanDerWaalsContact C-N 3.3Å; G369-G384 PolarHBondContact O-N 3.14Å
370W96.4Very high95.2Very high5 Ų549.1 Ų49.12%0.01927%0.271CS..EExtended strand (participates in β ladder)trans-94.1135.5172-68.680.7000111.6P37 P38 Y344 E351 N366 D368 L381 F382P37-W370 HydrophobicContact CG-CD2 4.26Å; P37-W370 HydrophobicContact CG-CG 4.4Å; P37-W370 HydrophobicContact CG-CZ2 4.26Å; P38-W370 PolarHBondContact O-NE1 3.43Å; Y344-W370 WeakPolarHBondContact OH-CH2 3.33Å; E351-W370 HydrophobicContact CG-CH2 4.34Å; E351-W370 HydrophobicContact CG-CZ3 3.87Å; E351-W370 WeakPolarHBondContact OE1-CH2 3.39Å; N366-W370 VanDerWaalsContact CB-O 3.27Å; N366-W370 WeakPolarHBondContact CB-O 3.36Å; N366-W370 PolarHBondContact N-O 2.68Å; D368-W370 WeakPolarHBondContact OD1-CB 3.03Å; D368-W370 PolarHBondContact OD1-N 3.32Å; D368-W370 VanDerWaalsContact OD1-N 3.1Å; W370-L381 HydrophobicContact CE3-CB 4.08Å; W370-F382 WeakPolarHBondContact CA-O 3.33Å; W370-F382 VanDerWaalsContact CE3-C 3.44Å
371Y97.3Very high95.3Very high54 Ų5450.5 Ų50.521%0.21228%0.279CS..EExtended strand (participates in β ladder)trans-106.9145.3174.7-60.9-11000109.4V362 K364 K365 L381 F382 G384 V387V362-Y371 HydrophobicContact CG1-CG 4.49Å; V362-Y371 HydrophobicContact CG2-CD2 4.38Å; K364-Y371 CarbonylContact O-C 3.46Å; K364-Y371 WeakPolarHBondContact O-CA 3.42Å; K365-Y371 HydrophobicContact CB-CD1 3.69Å; K365-Y371 HydrophobicContact CB-CE1 3.77Å; K365-Y371 HydrophobicContact CD-CD1 4.16Å; K365-Y371 HydrophobicContact CD-CE1 3.74Å; K365-Y371 HydrophobicContact CD-CE2 4.21Å; K365-Y371 HydrophobicContact CG-CD1 3.57Å; K365-Y371 HydrophobicContact CG-CD2 4.41Å; K365-Y371 HydrophobicContact CG-CE1 3.66Å; K365-Y371 HydrophobicContact CG-CE2 4.47Å; K365-Y371 HydrophobicContact CG-CG 3.99Å; Y371-L381 CarbonylContact O-C 3.5Å; Y371-L381 VanDerWaalsContact O-CA 3.31Å; Y371-L381 WeakPolarHBondContact O-CA 3.05Å; Y371-F382 HydrophobicContact CD2-CE2 4.06Å; Y371-F382 HydrophobicContact CD2-CZ 4.35Å; Y371-F382 HydrophobicContact CG-CE2 4.46Å; Y371-F382 PolarHBondContact N-O 3.4Å; Y371-F382 WeakPolarHBondContact O-CD1 3.5Å; Y371-F382 PolarHBondContact O-N 2.91Å; Y371-G384 VanDerWaalsContact CE2-CA 3.49Å; Y371-V387 HydrophobicContact CD2-CG2 4.18Å; Y371-V387 HydrophobicContact CE2-CG2 4.19Å
372E97.4Very high95.4Very high61 Ų6150.2 Ų50.229%0.28528%0.277SS..EExtended strand (participates in β ladder)trans-101.6132.9168.6-158.9-178160.900107.3I363 K364 T379 L381I363-E372 HydrophobicContact CD1-CG 4.06Å; I363-E372 HydrophobicContact CG1-CB 4.05Å; I363-E372 HydrophobicContact CG1-CG 4.07Å; I363-E372 WeakPolarHBondContact CG1-O 3.32Å; I363-E372 PolarHBondContact N-O 3.36Å; K364-E372 HydrophobicContact CB-CB 3.81Å; K364-E372 PolarHBondContact N-O 2.59Å; K364-E372 VanDerWaalsContact N-O 3.11Å; K364-E372 PolarHBondContact O-N 2.86Å; E372-T379 HydrophobicContact CG-CG2 4.27Å; E372-L381 HydrophobicContact CB-CD2 3.93Å; E372-L381 HydrophobicContact CG-CD2 4.11Å
373G97Very high95.4Very high0 Ų050.2 Ų50.20%028%0.277CS..EExtended strand (participates in β ladder)trans-160.4173179.800000113.6Y361 T379 G380Y361-G373 CarbonylContact O-C 3.45Å; Y361-G373 WeakPolarHBondContact O-CA 3.3Å; G373-T379 WeakPolarHBondContact O-CA 3.39Å; G373-G380 PolarHBondContact N-O 3.35Å; G373-G380 VanDerWaalsContact N-O 3.09Å; G373-G380 PolarHBondContact O-N 3.48Å
374V96.6Very high95.3Very high10 Ų1048 Ų486%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-116.9131.2-174.8-171.30000109.9W329 P331 Y361 I363 V378 T379W329-V374 HydrophobicContact CE3-CG1 4.11Å; W329-V374 HydrophobicContact CZ3-CG1 4.27Å; P331-V374 HydrophobicContact CB-CG2 4.36Å; P331-V374 HydrophobicContact CG-CB 4.14Å; P331-V374 HydrophobicContact CG-CG2 3.95Å; Y361-V374 PolarHBondContact N-O 3.24Å; Y361-V374 PolarHBondContact O-N 3.27Å; I363-V374 HydrophobicContact CD1-CG2 4.42Å; I363-V374 HydrophobicContact CG2-CG2 4.08Å; V374-V378 WeakPolarHBondContact CA-O 3.39Å; V374-T379 HydrophobicContact CG2-CG2 4.3Å
375M94.6Very high95.3Very high23 Ų2346.1 Ų46.111%0.11326%0.263CS..EExtended strand (participates in β ladder)trans-139.4129.4171.4-177.9-166.46300109.3L352 S353 F354 A358 I360 G377 V378L352-M375 HydrophobicContact CD1-CB 4.43Å; L352-M375 HydrophobicContact CD1-CE 4.4Å; L352-M375 HydrophobicContact CD2-CB 4.04Å; S353-M375 WeakPolarHBondContact O-CE 3.49Å; F354-M375 HydrophobicContact CB-CE 3.8Å; F354-M375 HydrophobicContact CB-SD 3.67Å; A358-M375 HydrophobicContact CB-SD 3.74Å; I360-M375 HydrophobicContact CG1-CB 4.34Å; I360-M375 HydrophobicContact CG2-CB 4.49Å; M375-G377 PolarHBondContact O-N 3.11Å; M375-V378 PolarHBondContact N-O 3.39Å; M375-V378 PolarHBondContact O-N 2.69Å
376N90.7Very high95.3Very high113 Ų11342.2 Ų42.260%0.60425%0.246SC*.THydrogen-bonded Turntrans52.635.2-179.4-58.2-41.5000113.5V378N376-V378 PolarHBondContact O-N 3.4Å
377G91.9Very high95.3Very high45 Ų4541 Ų4146%0.46424%0.24SC..THydrogen-bonded Turntrans75.13.4-176.600000115.5M375M375-G377 PolarHBondContact O-N 3.11Å
378V95.1Very high95.3Very high87 Ų8737.1 Ų37.153%0.52722%0.216SC..EExtended strand (participates in β ladder)trans-99.7124.7174.9-176.20000109.4L352 V374 M375 N376L352-V378 HydrophobicContact CD1-CB 4.11Å; L352-V378 HydrophobicContact CD1-CG1 3.89Å; V374-V378 WeakPolarHBondContact CA-O 3.39Å; M375-V378 PolarHBondContact N-O 3.39Å; M375-V378 PolarHBondContact O-N 2.69Å; N376-V378 PolarHBondContact O-N 3.4Å
379T96.5Very high95.3Very high75 Ų7537.2 Ų37.246%0.4622%0.221SC..EExtended strand (participates in β ladder)trans-92.7142.2172.2-48.60000110.4I363 E372 G373 V374I363-T379 HydrophobicContact CD1-CG2 3.8Å; E372-T379 HydrophobicContact CG-CG2 4.27Å; G373-T379 WeakPolarHBondContact O-CA 3.39Å; V374-T379 HydrophobicContact CG2-CG2 4.3Å
380G96.8Very high94.8Very high6 Ų638.2 Ų38.26%0.06222%0.219CC..EExtended strand (participates in β ladder)trans-175.6175168.100000113.8D350 G373D350-G380 CarbonylContact O-C 3.55Å; D350-G380 VanDerWaalsContact O-CA 3.28Å; D350-G380 WeakPolarHBondContact O-CA 3.34Å; G373-G380 PolarHBondContact N-O 3.35Å; G373-G380 VanDerWaalsContact N-O 3.09Å; G373-G380 PolarHBondContact O-N 3.48Å
381L97.6Very high93.7Very high29 Ų2943.8 Ų43.815%0.15225%0.247CC..EExtended strand (participates in β ladder)trans-82.8141.5176.6-68.1176.8000112.1D350 E351 L352 W370 Y371 E372D350-L381 PolarHBondContact O-N 3.19Å; E351-L381 CarbonylContact C-O 3.54Å; E351-L381 WeakPolarHBondContact CA-O 3.23Å; E351-L381 HydrophobicContact CG-CB 4.36Å; L352-L381 PolarHBondContact N-O 3.08Å; W370-L381 HydrophobicContact CE3-CB 4.08Å; Y371-L381 CarbonylContact O-C 3.5Å; Y371-L381 VanDerWaalsContact O-CA 3.31Å; Y371-L381 WeakPolarHBondContact O-CA 3.05Å; E372-L381 HydrophobicContact CB-CD2 3.93Å; E372-L381 HydrophobicContact CG-CD2 4.11Å
382F97.2Very high91.5Very high0 Ų048.3 Ų48.30%027%0.27CS..EExtended strand (participates in β ladder)trans-149.5156.6173.863.8-87.1000112.6V338 L352 F354 I360 V362 W370 Y371 G384 V387V338-F382 HydrophobicContact CG2-CZ 4.33Å; L352-F382 HydrophobicContact CB-CD1 4.48Å; L352-F382 HydrophobicContact CD2-CD1 4.12Å; L352-F382 HydrophobicContact CD2-CE1 4.46Å; F354-F382 HydrophobicContact CE1-CB 3.56Å; F354-F382 AromaticContact CE1-CD2 3.97Å; F354-F382 HydrophobicContact CE1-CD2 3.97Å; F354-F382 AromaticContact CE1-CG 3.82Å; F354-F382 HydrophobicContact CE1-CG 3.82Å; F354-F382 HydrophobicContact CZ-CB 4.2Å; F354-F382 HydrophobicContact CZ-CD2 4.12Å; F354-F382 HydrophobicContact CZ-CG 4.39Å; I360-F382 HydrophobicContact CB-CZ 4.39Å; I360-F382 HydrophobicContact CD1-CE1 4.48Å; I360-F382 HydrophobicContact CD1-CE2 4.31Å; I360-F382 HydrophobicContact CD1-CZ 4.26Å; I360-F382 HydrophobicContact CG2-CD1 4.49Å; I360-F382 HydrophobicContact CG2-CE1 3.64Å; I360-F382 HydrophobicContact CG2-CZ 3.8Å; V362-F382 HydrophobicContact CG2-CZ 4.12Å; W370-F382 WeakPolarHBondContact CA-O 3.33Å; W370-F382 VanDerWaalsContact CE3-C 3.44Å; Y371-F382 HydrophobicContact CD2-CE2 4.06Å; Y371-F382 HydrophobicContact CD2-CZ 4.35Å; Y371-F382 HydrophobicContact CG-CE2 4.46Å; Y371-F382 PolarHBondContact N-O 3.4Å; Y371-F382 WeakPolarHBondContact O-CD1 3.5Å; Y371-F382 PolarHBondContact O-N 2.91Å; F382-G384 PolarHBondContact O-N 3Å; F382-V387 HydrophobicContact CD2-CG1 4.05Å; F382-V387 HydrophobicContact CE2-CB 4.4Å; F382-V387 HydrophobicContact CE2-CG1 3.6Å; F382-V387 HydrophobicContact CE2-CG2 3.88Å
383P96.8Very high88.7Confident0 Ų054.4 Ų54.40%029%0.292CS..EExtended strand (participates in β ladder)trans-72.1124.3-179.730.3-39.7000112.6P37 Y344 N385 Y386P37-P383 HydrophobicContact CG-CB 3.43Å; P37-P383 VanDerWaalsContact CG-CB 3.43Å; Y344-P383 HydrophobicContact CD2-CG 3.56Å; Y344-P383 HydrophobicContact CE2-CG 3.51Å; Y344-P383 HydrophobicContact CG-CG 4.19Å; P383-N385 PolarHBondContact O-N 2.81Å; P383-N385 VanDerWaalsContact O-N 3.15Å; P383-Y386 HydrophobicContact CB-CD2 3.58Å; P383-Y386 HydrophobicContact CB-CE2 3.96Å; P383-Y386 HydrophobicContact CB-CG 4.4Å; P383-Y386 HydrophobicContact CG-CD1 4.33Å; P383-Y386 HydrophobicContact CG-CD2 3.22Å; P383-Y386 HydrophobicContact CG-CE2 3.66Å; P383-Y386 HydrophobicContact CG-CG 3.62Å; P383-Y386 WeakPolarHBondContact O-CB 3.31Å; P383-Y386 PolarHBondContact O-N 3.48Å; P383-Y386 VanDerWaalsContact O-N 3.08Å
384G95.3Very high85.8Confident10 Ų1060.7 Ų60.710%0.10334%0.336CS..G310 helixtrans-64.4-20-175.300000115.1G369 Y371 F382 Y386 V387G369-G384 PolarHBondContact O-N 3.14Å; Y371-G384 VanDerWaalsContact CE2-CA 3.49Å; F382-G384 PolarHBondContact O-N 3Å; G384-Y386 VanDerWaalsContact C-N 3.26Å; G384-Y386 PolarHBondContact O-N 3.01Å; G384-V387 VanDerWaalsContact O-CG2 3.24Å; G384-V387 WeakPolarHBondContact O-CG2 3.16Å
385N95.8Very high82.7Confident62 Ų6272 Ų7233%0.33239%0.388SS..G310 helixtrans-83.66.5175.566.3-36.3000114.4P35 P37 P383P35-N385 PolarHBondContact O-ND2 3.14Å; P37-N385 WeakPolarHBondContact CD-OD1 3.46Å; P383-N385 PolarHBondContact O-N 2.81Å; P383-N385 VanDerWaalsContact O-N 3.15Å
386Y95.2Very high82.1Confident1 Ų174.5 Ų74.50%0.00440%0.402CS..G310 helixtrans-98.7-0.7173-75.9-117.5000112.1K33 P34 A340 I341 Y344 P383 G384K33-Y386 HydrophobicContact CD-CE1 4.26Å; K33-Y386 WeakPolarHBondContact CE-OH 3.27Å; K33-Y386 HydrophobicContact CG-CE1 3.97Å; K33-Y386 WeakPolarHBondContact CG-OH 3.17Å; P34-Y386 HydrophobicContact CG-CD2 4.13Å; P34-Y386 HydrophobicContact CG-CE1 4.49Å; P34-Y386 HydrophobicContact CG-CE2 3.79Å; P34-Y386 PolarHBondContact O-OH 3.22Å; A340-Y386 CarbonylContact C-O 3.55Å; A340-Y386 WeakPolarHBondContact CA-O 3.28Å; I341-Y386 WeakPolarHBondContact CG1-O 3.07Å; I341-Y386 PolarHBondContact N-O 3.13Å; Y344-Y386 AromaticContact CD2-CD1 3.98Å; Y344-Y386 HydrophobicContact CD2-CD1 3.98Å; Y344-Y386 AromaticContact CD2-CE1 3.93Å; Y344-Y386 HydrophobicContact CD2-CE1 3.93Å; Y344-Y386 HydrophobicContact CD2-CG 4.47Å; Y344-Y386 HydrophobicContact CG-CD1 4.47Å; P383-Y386 HydrophobicContact CB-CD2 3.58Å; P383-Y386 HydrophobicContact CB-CE2 3.96Å; P383-Y386 HydrophobicContact CB-CG 4.4Å; P383-Y386 HydrophobicContact CG-CD1 4.33Å; P383-Y386 HydrophobicContact CG-CD2 3.22Å; P383-Y386 HydrophobicContact CG-CE2 3.66Å; P383-Y386 HydrophobicContact CG-CG 3.62Å; P383-Y386 WeakPolarHBondContact O-CB 3.31Å; P383-Y386 PolarHBondContact O-N 3.48Å; P383-Y386 VanDerWaalsContact O-N 3.08Å; G384-Y386 VanDerWaalsContact C-N 3.26Å; G384-Y386 PolarHBondContact O-N 3.01Å
387V94.4Very high81.7Confident15 Ų1572.5 Ų72.59%0.09139%0.391CS..EExtended strand (participates in β ladder)trans-130.4155.4-175.3-60.90000112.2V338 V339 F354 I360 Y371 F382 G384V338-V387 HydrophobicContact CB-CB 3.96Å; V338-V387 HydrophobicContact CB-CG2 4.13Å; V338-V387 HydrophobicContact CG1-CG2 4.42Å; V338-V387 HydrophobicContact CG2-CB 3.79Å; V338-V387 HydrophobicContact CG2-CG1 3.91Å; V338-V387 HydrophobicContact CG2-CG2 3.94Å; V339-V387 CarbonylContact O-C 3.6Å; V339-V387 WeakPolarHBondContact O-CA 3.16Å; V339-V387 WeakPolarHBondContact O-CB 3.49Å; F354-V387 HydrophobicContact CZ-CG1 4.28Å; I360-V387 HydrophobicContact CD1-CG1 4.2Å; Y371-V387 HydrophobicContact CD2-CG2 4.18Å; Y371-V387 HydrophobicContact CE2-CG2 4.19Å; F382-V387 HydrophobicContact CD2-CG1 4.05Å; F382-V387 HydrophobicContact CE2-CB 4.4Å; F382-V387 HydrophobicContact CE2-CG1 3.6Å; F382-V387 HydrophobicContact CE2-CG2 3.88Å; G384-V387 VanDerWaalsContact O-CG2 3.24Å; G384-V387 WeakPolarHBondContact O-CG2 3.16Å
388E92.9Very high81.1Confident98 Ų9874 Ų7446%0.45839%0.387SS..EExtended strand (participates in β ladder)trans-121.4143.9169-77.3178.5176.100110.2V338 V339 I341 I390V338-E388 CarbonylContact C-O 3.43Å; V338-E388 VanDerWaalsContact CA-O 3.27Å; V338-E388 WeakPolarHBondContact CA-O 3.14Å; V338-E388 WeakPolarHBondContact CB-O 3Å; V339-E388 HydrophobicContact CG1-CB 4.08Å; V339-E388 PolarHBondContact N-O 3.13Å; V339-E388 PolarHBondContact O-N 2.91Å; I341-E388 HydrophobicContact CD1-CG 4.01Å; I341-E388 HydrophobicContact CG1-CG 4.4Å; I341-E388 HydrophobicContact CG2-CB 4Å; I341-E388 HydrophobicContact CG2-CG 3.69Å; E388-I390 PolarHBondContact O-N 3.1Å
389S91.1Very high80.3Confident58 Ų5873.2 Ų73.241%0.40638%0.379SS..EExtended strand (participates in β ladder)trans-57.1129.9170.6-62.40000111.2E336 M391E336-S389 VanDerWaalsContact CD-OG 3.27Å; E336-S389 WeakPolarHBondContact OE1-CB 3.26Å; E336-S389 PolarHBondContact OE1-OG 3.44Å; S389-M391 VanDerWaalsContact C-N 3.32Å
390I84.7Confident79.3Confident50 Ų5073.1 Ų73.126%0.25637%0.374SS..SBendtrans-82-18.3172.5-64.5160.7000110.9W8 K337 V338 V339 I359 E388 H392W8-I390 HydrophobicContact CH2-CG1 4.04Å; W8-I390 HydrophobicContact CZ3-CG1 4.21Å; W8-I390 HydrophobicContact CZ3-CG2 4.42Å; K337-I390 HydrophobicContact CG-CD1 4.01Å; K337-I390 WeakPolarHBondContact O-CB 3.43Å; K337-I390 PolarHBondContact O-N 3.13Å; V338-I390 WeakPolarHBondContact O-CD1 3.41Å; V339-I390 HydrophobicContact CB-CD1 4.08Å; V339-I390 HydrophobicContact CB-CG1 3.99Å; I359-I390 HydrophobicContact CD1-CD1 3.65Å; I359-I390 HydrophobicContact CG2-CD1 4.17Å; E388-I390 PolarHBondContact O-N 3.1Å; I390-H392 PolarHBondContact O-N 2.96Å
391M72.5Confident78.1Confident123 Ų12377.6 Ų77.661%0.60640%0.395SS*.  trans-73.8115.5171-63.1-59.8-149.400110.6S389S389-M391 VanDerWaalsContact C-N 3.32Å
392H50.9Low76.7Confident149 Ų14981.1 Ų81.169%0.6941%0.412SS*.  trans147.6143.9156.8-85.9103.5000109.8I390I390-H392 PolarHBondContact O-N 2.96Å
393Y39.1Very low75.2Confident189 Ų18987.3 Ų87.374%0.74144%0.444SS*.  cis-131.31424.7-70-91.9000110.2
394S36.6Very low73.4Confident132 Ų13294.6 Ų94.692%0.92348%0.481SS*.  trans-106.690.6157.656.50000108.6
395E31.7Very low71.4Confident248 Ų248102.3 Ų102.3100%1.15952%0.515SS*.  trans-144.70172-161.2177.3163.900109.7

Retrieved 395 of 395 residues in 213.2 ms (Link to these results)