A0A060D609_MAIZE Loading...

AP2 domain containing protein

AlphaFold DB , UniProt , Accession A0A060D609, Species MAIZE (Zea mays, Maize), Gene EREB172, Length 269 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43.5Very low53.1Low234 Ų234149 Ų149100%1.15384%0.839SS**  0131.10-73.5166.416300107.2
2T52.5Low53.5Low128 Ų128144.6 Ų144.679%0.78583%0.825SS**  trans62.1136.1171.656.40000117.5
3N51.2Low54.1Low128 Ų128150.1 Ų150.168%0.68483%0.827SS**  cis-171.6123.8-14.2-111.4-41.4000103.7
4L54Low54.4Low156 Ų156148 Ų14882%0.81782%0.82SS**  61.3121.7111.6-95.182.5000118.6
5S52.1Low54.7Low109 Ų109146 Ų14676%0.76281%0.806SS**  trans91.9104130.7-154.50000120.3
6A56Low55.4Low96 Ų96150.4 Ų150.479%0.79381%0.807SS**  trans179.180.4137.200000107.9
7M51.1Low55.1Low172 Ų172152.9 Ų152.985%0.84781%0.809SS**  44.1101.587-72.8-76.6165.100114.8
8A51.6Low55.5Low97 Ų97152.8 Ų152.880%0.80281%0.809SS**  trans69.2104.613300000119.7
9A60.4Low55.2Low96 Ų96148.4 Ų148.479%0.79380%0.803SS**  trans-178.675.1133.700000111.1
10Y52.9Low55.4Low243 Ų243149 Ų14995%0.95380%0.8SS**  trans-112.286.9161.6-124.6-97.1000106.9
11Q58.3Low54.8Low180 Ų180150.4 Ų150.484%0.84180%0.799SS**  trans-124.6106.5172.1-91.1179.257.800109.1
12S57.8Low55.6Low96 Ų96145.7 Ų145.767%0.67178%0.779SS**  trans45.5102.5142.263.60000118.5
13Y61.9Low56Low216 Ų216146 Ų14685%0.84777%0.772SS**  trans-111100.8150.1-145-99.2000107.8I15Y13-I15 HydrophobicContact CD1-CD1 3.9Å; Y13-I15 HydrophobicContact CD1-CG1 3.6Å; Y13-I15 HydrophobicContact CE1-CD1 3.74Å; Y13-I15 HydrophobicContact CE1-CG1 3.57Å
14V58.6Low56.4Low121 Ų121146 Ų14673%0.73378%0.778SS**  trans-107.6106.4174.1-170.30000106.7
15I58.1Low56.4Low118 Ų118143.2 Ų143.261%0.60577%0.772SS**  trans-89.1112.5172.5-57.8172.8000106.7Y13 F17Y13-I15 HydrophobicContact CD1-CD1 3.9Å; Y13-I15 HydrophobicContact CD1-CG1 3.6Å; Y13-I15 HydrophobicContact CE1-CD1 3.74Å; Y13-I15 HydrophobicContact CE1-CG1 3.57Å; I15-F17 HydrophobicContact CG2-CD2 4.11Å
16R67.1Low56.4Low217 Ų217143.8 Ų143.882%0.81977%0.773SS**  trans-87.6115.2165-87.9-168.1168.7108.8-1.2109.1
17F49.8Very low56.3Low193 Ų193145 Ų14585%0.84678%0.776SS**  trans-88107.6162.6-111-96.7000107.4I15I15-F17 HydrophobicContact CG2-CD2 4.11Å
18D61.6Low56.3Low151 Ų151142.3 Ų142.381%0.80777%0.774SS**  trans-99.596.8164.5-110.6-74.8000107.2
19G49.3Very low56.4Low68 Ų68143.1 Ų143.170%0.70178%0.78SS**  trans-79.7116.6167.400000109.1
20H59.2Low55.9Low161 Ų161142.4 Ų142.475%0.74578%0.783SS**  trans-119.5105.6160.8-152.460.3000108.9D22H20-D22 IonicContact CD2-OD2 3.44Å; H20-D22 PolarHBondContact CD2-OD2 3.39Å; H20-D22 IonicContact NE2-OD2 3.95Å; H20-D22 PolarHBondContact O-N 2.94Å
21F43.6Very low56.1Low178 Ų178135.3 Ų135.378%0.78178%0.775SS**  trans-79.696.3172.5179.8-94.6000107.2E23F21-E23 HydrophobicContact CE1-CB 4.25Å
22D60.6Low56Low135 Ų135135.4 Ų135.472%0.72278%0.775SS**  trans-89.2106.5171.5-115.5-67.8000108.5H20H20-D22 IonicContact CD2-OD2 3.44Å; H20-D22 PolarHBondContact CD2-OD2 3.39Å; H20-D22 IonicContact NE2-OD2 3.95Å; H20-D22 PolarHBondContact O-N 2.94Å
23E61.8Low56.3Low136 Ų136135.7 Ų135.764%0.63677%0.774SS**  trans-72.5121.6176.1-173.7-179.499.400110.3F21 S25F21-E23 HydrophobicContact CE1-CB 4.25Å; E23-S25 PolarHBondContact O-N 3.04Å
24P59.3Low56.6Low127 Ų127130.5 Ų130.583%0.82577%0.767SS**  trans-84.4104179.931.1-31000111
25S54.3Low57.1Low98 Ų98127.2 Ų127.269%0.68576%0.758SS**  trans-94.2152.9169.1-94.70000113.1E23E23-S25 PolarHBondContact O-N 3.04Å
26P51Low57.6Low121 Ų121128 Ų12879%0.78677%0.77SS**  trans-111.8114.8-135.535.4-24.9000113.2
27S54.6Low57.1Low121 Ų121125.1 Ų125.185%0.84677%0.766SS**  trans-16683.8163.2-163.40000112.3
28S51.3Low57.5Low115 Ų115121 Ų12180%0.80476%0.759SS**  trans-165.783.8150.538.50000108.7G30S28-G30 PolarHBondContact O-N 3.04Å
29A52Low57.3Low114 Ų114119.2 Ų119.294%0.94276%0.755SS**THydrogen-bonded Turntrans-58.9124.5163.800000109.1
30G51.4Low57.3Low82 Ų82124.6 Ų124.685%0.84576%0.76SS**THydrogen-bonded Turntrans141.7-11.9163.800000117.4S28S28-G30 PolarHBondContact O-N 3.04Å
31A56.1Low57.1Low94 Ų94122.3 Ų122.378%0.77777%0.769SS**  trans-94.6110175.100000110.2
32E57Low57.7Low181 Ų181116.8 Ų116.885%0.84676%0.762SS**PPolyproline II helixtrans-49131.8167-164.2-178.1112.800109
33P64Low57.7Low102 Ų102117.3 Ų117.366%0.66275%0.754SS**PPolyproline II helixtrans-58.5135.5178.624.7-33.1000108.6G35P33-G35 PolarHBondContact O-N 2.76Å
34P68.3Low57.8Low108 Ų108118 Ų11870%0.70176%0.759SS**PPolyproline II helixtrans-55.4121.7169.625-31.8000106.8
35G69.3Low58.4Low51 Ų51113.7 Ų113.753%0.52673%0.729SS.*PPolyproline II helixtrans-49.5160.3176.800000111.2P33 Q37P33-G35 PolarHBondContact O-N 2.76Å; G35-Q37 PolarHBondContact O-N 3.48Å
36P68.4Low59.8Low135 Ų135112.5 Ų112.588%0.87772%0.72SS**  trans-49.2111.9-174.620.1-31.6000109.5
37Q57.1Low61.4Low156 Ų156113.1 Ų113.173%0.72972%0.716SS**PPolyproline II helixtrans-61.1131.4178.2-56.6-152.824.700106.8G35G35-Q37 PolarHBondContact O-N 3.48Å
38P56.7Low63Low107 Ų107112.7 Ų112.770%0.69570%0.701SS**PPolyproline II helixtrans-54.8140.2177.723.7-32.6000108.2F40P38-F40 PolarHBondContact O-N 2.74Å; P38-F40 VanDerWaalsContact O-N 3.09Å
39P58.3Low64.7Low113 Ų113112.5 Ų112.573%0.73468%0.683SS**PPolyproline II helixtrans-52.7127.4176.124.4-33000106.9A41P39-A41 PolarHBondContact O-N 2.99Å
40F48.1Very low66.3Low182 Ų182108.6 Ų108.680%0.79865%0.645SS**  trans-30.2107.4-179.5-79.1-90.3000110.5P38 G42 R43P38-F40 PolarHBondContact O-N 2.74Å; P38-F40 VanDerWaalsContact O-N 3.09Å; F40-G42 PolarHBondContact O-N 3.06Å; F40-R43 PolarHBondContact O-N 3.39Å
41A55Low68.1Low112 Ų112109.7 Ų109.793%0.92663%0.628SS**THydrogen-bonded Turntrans-66.711.6-179.200000112.9P39P39-A41 PolarHBondContact O-N 2.99Å
42G57.7Low69.8Low62 Ų62110.5 Ų110.564%0.63962%0.615SS**THydrogen-bonded Turntrans-101.16.1176.800000115F40 M44F40-G42 PolarHBondContact O-N 3.06Å; G42-M44 PolarHBondContact O-N 2.78Å; G42-M44 VanDerWaalsContact O-N 3.12Å
43R59.2Low71.3Confident147 Ų147103.1 Ų103.156%0.55558%0.582SS**  trans-72.3103.7171.2-73.8-174.2-168.1-121.43.2109.6F40 I45 E50F40-R43 PolarHBondContact O-N 3.39Å; R43-I45 PolarHBondContact O-N 2.95Å; R43-E50 VanDerWaalsContact CD-OE1 3.32Å; R43-E50 WeakPolarHBondContact CD-OE1 3.49Å; R43-E50 IonicContact CZ-OE1 3.91Å; R43-E50 IonicContact CZ-OE2 3.7Å; R43-E50 IonicContact NE-OE1 3.97Å; R43-E50 IonicContact NH1-OE1 3.14Å; R43-E50 PolarHBondContact NH1-OE1 2.91Å; R43-E50 VanDerWaalsContact NH1-OE1 3.14Å; R43-E50 IonicContact NH1-OE2 2.61Å; R43-E50 PolarHBondContact NH1-OE2 2.64Å
44M64.1Low72.5Confident149 Ų149102.8 Ų102.873%0.73457%0.574SS**SBendtrans-71.4-5.3172.8-79.7-147.4-61.500113.9G42 F73G42-M44 PolarHBondContact O-N 2.78Å; G42-M44 VanDerWaalsContact O-N 3.12Å; M44-F73 HydrophobicContact CE-CE1 4.11Å; M44-F73 HydrophobicContact CE-CE2 4.47Å; M44-F73 HydrophobicContact CE-CZ 3.52Å
45I72.7Confident73.7Confident38 Ų38100.6 Ų100.620%0.19556%0.559CS.*SBendtrans-128137.7178.546.5172.9000109.6R43 R49 E50R43-I45 PolarHBondContact O-N 2.95Å; I45-R49 HydrophobicContact CB-CB 4.46Å; I45-R49 HydrophobicContact CB-CG 4.46Å; I45-R49 HydrophobicContact CG2-CG 4.48Å; I45-E50 HydrophobicContact CB-CG 4.17Å; I45-E50 HydrophobicContact CD1-CB 4.34Å; I45-E50 HydrophobicContact CD1-CG 3.28Å; I45-E50 HydrophobicContact CG1-CG 3.39Å
46S82.5Confident74.7Confident73 Ų73100 Ų10051%0.5155%0.548SS..  trans-62.2150.9177.164.70000110.2E48 R49 E50S46-E48 PolarHBondContact O-N 3.01Å; S46-E48 VanDerWaalsContact O-N 3.15Å; S46-R49 CarbonylContact O-C 3.45Å; S46-R49 WeakPolarHBondContact O-CA 3.43Å; S46-R49 WeakPolarHBondContact O-CB 3.44Å; S46-R49 PolarHBondContact O-N 3.49Å; S46-R49 WeakPolarHBondContact OG-CB 3.46Å; S46-R49 PolarHBondContact OG-N 3.32Å; S46-E50 PolarHBondContact O-N 3.07Å
47L85.6Confident75.7Confident133 Ų13395.3 Ų95.370%0.69652%0.522SS*.Hα-helixtrans-52.2-39177.6-167.190.3000111.8E50 H51L47-E50 WeakPolarHBondContact O-CB 3.33Å; L47-E50 PolarHBondContact O-N 2.91Å; L47-H51 WeakPolarHBondContact O-CB 3.25Å; L47-H51 PolarHBondContact O-N 2.81Å
48E88.1Confident77.4Confident112 Ų11293 Ų9352%0.52351%0.514SS..Hα-helixtrans-64.5-43175.8-175.655.3-142.100111.9S46 H51 Q52S46-E48 PolarHBondContact O-N 3.01Å; S46-E48 VanDerWaalsContact O-N 3.15Å; E48-H51 PolarHBondContact O-N 3.27Å; E48-Q52 WeakPolarHBondContact O-CB 3.49Å; E48-Q52 VanDerWaalsContact O-CG 3.26Å; E48-Q52 WeakPolarHBondContact O-CG 3.37Å; E48-Q52 PolarHBondContact O-N 2.78Å; E48-Q52 PolarHBondContact OE1-NE2 3.28Å
49R86.9Confident79.2Confident112 Ų11292.6 Ų92.642%0.42351%0.505SS..Hα-helixtrans-67.6-38.2176.4-172.7174.5-176.8-154.7-0.9111.9I45 S46 Q52 V53I45-R49 HydrophobicContact CB-CB 4.46Å; I45-R49 HydrophobicContact CB-CG 4.46Å; I45-R49 HydrophobicContact CG2-CG 4.48Å; S46-R49 CarbonylContact O-C 3.45Å; S46-R49 WeakPolarHBondContact O-CA 3.43Å; S46-R49 WeakPolarHBondContact O-CB 3.44Å; S46-R49 PolarHBondContact O-N 3.49Å; S46-R49 WeakPolarHBondContact OG-CB 3.46Å; S46-R49 PolarHBondContact OG-N 3.32Å; R49-Q52 PolarHBondContact O-N 3.21Å; R49-V53 WeakPolarHBondContact O-CB 3.46Å; R49-V53 WeakPolarHBondContact O-CG2 3.42Å; R49-V53 PolarHBondContact O-N 3.15Å
50E86.2Confident80.7Confident31 Ų3188.5 Ų88.515%0.14548%0.476CS..Hα-helixtrans-59.1-49.2172.1-72.8173157.100110.8R43 I45 S46 L47 Q52 V53 I54R43-E50 VanDerWaalsContact CD-OE1 3.32Å; R43-E50 WeakPolarHBondContact CD-OE1 3.49Å; R43-E50 IonicContact CZ-OE1 3.91Å; R43-E50 IonicContact CZ-OE2 3.7Å; R43-E50 IonicContact NE-OE1 3.97Å; R43-E50 IonicContact NH1-OE1 3.14Å; R43-E50 PolarHBondContact NH1-OE1 2.91Å; R43-E50 VanDerWaalsContact NH1-OE1 3.14Å; R43-E50 IonicContact NH1-OE2 2.61Å; R43-E50 PolarHBondContact NH1-OE2 2.64Å; I45-E50 HydrophobicContact CB-CG 4.17Å; I45-E50 HydrophobicContact CD1-CB 4.34Å; I45-E50 HydrophobicContact CD1-CG 3.28Å; I45-E50 HydrophobicContact CG1-CG 3.39Å; S46-E50 PolarHBondContact O-N 3.07Å; L47-E50 WeakPolarHBondContact O-CB 3.33Å; L47-E50 PolarHBondContact O-N 2.91Å; E50-Q52 PolarHBondContact O-N 2.99Å; E50-V53 PolarHBondContact O-N 3.37Å; E50-I54 WeakPolarHBondContact O-CD1 3.05Å; E50-I54 VanDerWaalsContact O-CG1 3.24Å; E50-I54 WeakPolarHBondContact O-CG1 3.3Å; E50-I54 PolarHBondContact O-N 3.37Å
51H89.5Confident82.8Confident106 Ų10683.9 Ų83.949%0.49146%0.463SS..Hα-helixtrans-60.7-44.3178-173.8-127.2000111.6L47 E48 V53 I54 V55L47-H51 WeakPolarHBondContact O-CB 3.25Å; L47-H51 PolarHBondContact O-N 2.81Å; E48-H51 PolarHBondContact O-N 3.27Å; H51-V53 PolarHBondContact O-N 3.48Å; H51-I54 PolarHBondContact O-N 2.97Å; H51-V55 WeakPolarHBondContact O-CG2 3.19Å; H51-V55 PolarHBondContact O-N 3.35Å
52Q90.7Very high84.6Confident110 Ų11084.5 Ų84.551%0.51446%0.455SS..Hα-helixtrans-60.8-42.3175.4-73.8173.316.600112.7E48 R49 E50 I54 V55 A56E48-Q52 WeakPolarHBondContact O-CB 3.49Å; E48-Q52 VanDerWaalsContact O-CG 3.26Å; E48-Q52 WeakPolarHBondContact O-CG 3.37Å; E48-Q52 PolarHBondContact O-N 2.78Å; E48-Q52 PolarHBondContact OE1-NE2 3.28Å; R49-Q52 PolarHBondContact O-N 3.21Å; E50-Q52 PolarHBondContact O-N 2.99Å; Q52-I54 VanDerWaalsContact C-N 3.34Å; Q52-V55 PolarHBondContact O-N 3.14Å; Q52-A56 VanDerWaalsContact O-CB 3.3Å; Q52-A56 WeakPolarHBondContact O-CB 3.49Å; Q52-A56 PolarHBondContact O-N 3.11Å
53V88.6Confident86.3Confident26 Ų2684.2 Ų84.216%0.15844%0.443CS..Hα-helixtrans-61.9-43.7175.1163.40000111R49 E50 H51 A56 A57 V72R49-V53 WeakPolarHBondContact O-CB 3.46Å; R49-V53 WeakPolarHBondContact O-CG2 3.42Å; R49-V53 PolarHBondContact O-N 3.15Å; E50-V53 PolarHBondContact O-N 3.37Å; H51-V53 PolarHBondContact O-N 3.48Å; V53-A56 PolarHBondContact O-N 2.92Å; V53-A57 WeakPolarHBondContact O-CB 3.36Å; V53-A57 PolarHBondContact O-N 3.02Å; V53-V72 HydrophobicContact CG1-CB 4.13Å; V53-V72 HydrophobicContact CG1-CG1 3.85Å; V53-V72 HydrophobicContact CG1-CG2 3.4Å; V53-V72 VanDerWaalsContact CG1-CG2 3.4Å
54I89Confident87.6Confident96 Ų9679.8 Ų79.849%0.49244%0.443SS..Hα-helixtrans-62.2-48.3178.3-68.6163.1000110.4E50 H51 Q52 A56 A57 L58E50-I54 WeakPolarHBondContact O-CD1 3.05Å; E50-I54 VanDerWaalsContact O-CG1 3.24Å; E50-I54 WeakPolarHBondContact O-CG1 3.3Å; E50-I54 PolarHBondContact O-N 3.37Å; H51-I54 PolarHBondContact O-N 2.97Å; Q52-I54 VanDerWaalsContact C-N 3.34Å; I54-A56 PolarHBondContact O-N 3.28Å; I54-A57 WeakPolarHBondContact O-CB 3.09Å; I54-A57 PolarHBondContact O-N 3.02Å; I54-L58 HydrophobicContact CG2-CD1 4.05Å; I54-L58 WeakPolarHBondContact O-CG 3.24Å; I54-L58 PolarHBondContact O-N 3.14Å
55V93.1Very high88.7Confident61 Ų6180.5 Ų80.537%0.3744%0.439SS..Hα-helixtrans-62.1-44.4179173.10000111.1H51 Q52 A57 L58 L59H51-V55 WeakPolarHBondContact O-CG2 3.19Å; H51-V55 PolarHBondContact O-N 3.35Å; Q52-V55 PolarHBondContact O-N 3.14Å; V55-A57 VanDerWaalsContact C-N 3.35Å; V55-A57 PolarHBondContact O-N 3.31Å; V55-L58 PolarHBondContact O-N 2.98Å; V55-L59 HydrophobicContact CG1-CD1 4Å; V55-L59 HydrophobicContact CG1-CG 4.47Å; V55-L59 WeakPolarHBondContact O-CG 3Å; V55-L59 PolarHBondContact O-N 3.32Å
56A90.7Very high89.3Confident38 Ų3882.9 Ų82.931%0.31446%0.464SS..Hα-helixtrans-64.4-38.1177.300000112.4Q52 V53 I54 H60 P70Q52-A56 VanDerWaalsContact O-CB 3.3Å; Q52-A56 WeakPolarHBondContact O-CB 3.49Å; Q52-A56 PolarHBondContact O-N 3.11Å; V53-A56 PolarHBondContact O-N 2.92Å; I54-A56 PolarHBondContact O-N 3.28Å; A56-H60 WeakPolarHBondContact O-CB 3.4Å; A56-H60 PolarHBondContact O-N 3.3Å; A56-P70 HydrophobicContact CB-CB 3.89Å
57A90.2Very high89.3Confident38 Ų3881.9 Ų81.931%0.31446%0.455SS..Hα-helixtrans-62.2-45.2173.600000111.8V53 I54 V55 H60 V61 P70V53-A57 WeakPolarHBondContact O-CB 3.36Å; V53-A57 PolarHBondContact O-N 3.02Å; I54-A57 WeakPolarHBondContact O-CB 3.09Å; I54-A57 PolarHBondContact O-N 3.02Å; V55-A57 VanDerWaalsContact C-N 3.35Å; V55-A57 PolarHBondContact O-N 3.31Å; A57-H60 WeakPolarHBondContact O-CB 3.18Å; A57-H60 PolarHBondContact O-N 2.97Å; A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 3.04Å; A57-V61 VanDerWaalsContact O-N 3.12Å; A57-P70 HydrophobicContact CB-CG 3.82Å
58L93.3Very high89.1Confident107 Ų10780.9 Ų80.956%0.5646%0.456SS*.Hα-helixtrans-64.5-45.1178.2-70.7171000111.6I54 V55 H60 V61 V62I54-L58 HydrophobicContact CG2-CD1 4.05Å; I54-L58 WeakPolarHBondContact O-CG 3.24Å; I54-L58 PolarHBondContact O-N 3.14Å; V55-L58 PolarHBondContact O-N 2.98Å; L58-H60 VanDerWaalsContact C-N 3.27Å; L58-H60 PolarHBondContact O-N 3.08Å; L58-V61 PolarHBondContact O-N 2.95Å; L58-V62 WeakPolarHBondContact O-CB 3.26Å; L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.44Å; L58-V62 PolarHBondContact O-N 3.48Å
59L92.5Very high88.5Confident98 Ų9879.4 Ų79.451%0.51346%0.457SS..Hα-helixtrans-60.1-37.4174.9-74.7170.2000112V55 S63V55-L59 HydrophobicContact CG1-CD1 4Å; V55-L59 HydrophobicContact CG1-CG 4.47Å; V55-L59 WeakPolarHBondContact O-CG 3Å; V55-L59 PolarHBondContact O-N 3.32Å; L59-S63 WeakPolarHBondContact O-CB 3.45Å; L59-S63 PolarHBondContact O-N 3.37Å; L59-S63 PolarHBondContact O-OG 2.93Å
60H90.5Very high88Confident27 Ų2775.7 Ų75.713%0.12545%0.447CS..Hα-helixtrans-62.6-44.4176.1-174.461.9000112.8A56 A57 L58 Y65 T67A56-H60 WeakPolarHBondContact O-CB 3.4Å; A56-H60 PolarHBondContact O-N 3.3Å; A57-H60 WeakPolarHBondContact O-CB 3.18Å; A57-H60 PolarHBondContact O-N 2.97Å; L58-H60 VanDerWaalsContact C-N 3.27Å; L58-H60 PolarHBondContact O-N 3.08Å; H60-Y65 AromaticContact CD2-CD1 3.73Å; H60-Y65 AromaticContact NE2-CD1 3.41Å; H60-Y65 WeakPolarHBondContact NE2-CD1 3.43Å; H60-Y65 WeakPolarHBondContact O-CA 3.33Å; H60-Y65 PolarHBondContact O-N 3.39Å; H60-T67 WeakPolarHBondContact CA-OG1 3.3Å; H60-T67 WeakPolarHBondContact CB-OG1 3.4Å; H60-T67 PolarHBondContact CE1-O 3.41Å; H60-T67 PolarHBondContact ND1-O 2.82Å; H60-T67 PolarHBondContact ND1-OG1 3.37Å
61V92.9Very high87.4Confident86 Ų8681.7 Ų81.752%0.52148%0.475SS..Hα-helixtrans-68.8-47.1177.3176.30000111.3A57 L58 S63 G64A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 3.04Å; A57-V61 VanDerWaalsContact O-N 3.12Å; L58-V61 PolarHBondContact O-N 2.95Å; V61-S63 VanDerWaalsContact C-N 3.27Å; V61-S63 PolarHBondContact O-N 2.95Å; V61-G64 PolarHBondContact O-N 2.06Å
62V92.9Very high86.3Confident125 Ų12579.6 Ų79.676%0.75847%0.47SS*.Hα-helixtrans-64.4-33-179.1173.80000111.7L58 G64L58-V62 WeakPolarHBondContact O-CB 3.26Å; L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.44Å; L58-V62 PolarHBondContact O-N 3.48Å; V62-G64 PolarHBondContact O-N 3.48Å
63S92.1Very high84.9Confident55 Ų5580.3 Ų80.339%0.38547%0.471SS..THydrogen-bonded Turntrans-78.17176-53.80000113.6L59 V61 Y65 A66L59-S63 WeakPolarHBondContact O-CB 3.45Å; L59-S63 PolarHBondContact O-N 3.37Å; L59-S63 PolarHBondContact O-OG 2.93Å; V61-S63 VanDerWaalsContact C-N 3.27Å; V61-S63 PolarHBondContact O-N 2.95Å; S63-Y65 VanDerWaalsContact C-N 3.34Å; S63-Y65 PolarHBondContact O-N 3.08Å; S63-A66 VanDerWaalsContact O-CB 3.23Å; S63-A66 WeakPolarHBondContact O-CB 3.47Å; S63-A66 PolarHBondContact O-N 3.18Å
64G87.9Confident83.6Confident55 Ų5584.7 Ų84.757%0.56750%0.498SS*.THydrogen-bonded Turntrans6437.1-17700000113.2V61 V62 A66V61-G64 PolarHBondContact O-N 2.06Å; V62-G64 PolarHBondContact O-N 3.48Å; G64-A66 PolarHBondContact O-N 3.47Å
65Y86Confident81.9Confident163 Ų16384.7 Ų84.764%0.63950%0.504SS*.THydrogen-bonded Turntrans66.517.3-177.1-50-90.6000114.9H60 S63H60-Y65 AromaticContact CD2-CD1 3.73Å; H60-Y65 AromaticContact NE2-CD1 3.41Å; H60-Y65 WeakPolarHBondContact NE2-CD1 3.43Å; H60-Y65 WeakPolarHBondContact O-CA 3.33Å; H60-Y65 PolarHBondContact O-N 3.39Å; S63-Y65 VanDerWaalsContact C-N 3.34Å; S63-Y65 PolarHBondContact O-N 3.08Å
66A86.2Confident80Confident88 Ų8886 Ų8673%0.72752%0.515SS*.  trans-77-16.9-179.700000114.8S63 G64S63-A66 VanDerWaalsContact O-CB 3.23Å; S63-A66 WeakPolarHBondContact O-CB 3.47Å; S63-A66 PolarHBondContact O-N 3.18Å; G64-A66 PolarHBondContact O-N 3.47Å
67T82.6Confident78.4Confident52 Ų5289.4 Ų89.432%0.31953%0.533SS..SBendtrans-92.1161.5173.561.50000110.5H60H60-T67 WeakPolarHBondContact CA-OG1 3.3Å; H60-T67 WeakPolarHBondContact CB-OG1 3.4Å; H60-T67 PolarHBondContact CE1-O 3.41Å; H60-T67 PolarHBondContact ND1-O 2.82Å; H60-T67 PolarHBondContact ND1-OG1 3.37Å
68P80.4Confident76.8Confident112 Ų11292 Ų9273%0.72756%0.555SS**PPolyproline II helixtrans-65.6142.8172.825.8-33.4000111.2
69P76.8Confident75.1Confident82 Ų8290.9 Ų90.953%0.53256%0.561SS.*PPolyproline II helixtrans-63.1142.8177.625.7-33.5000110.8Q71P69-Q71 PolarHBondContact O-N 3.12Å
70P76Confident73.7Confident33 Ų3388.7 Ų88.721%0.21456%0.557CS.*PPolyproline II helixtrans-63.4128.3179.627.3-35.8000110.8A56 A57 V72A56-P70 HydrophobicContact CB-CB 3.89Å; A57-P70 HydrophobicContact CB-CG 3.82Å; P70-V72 VanDerWaalsContact C-N 3.33Å; P70-V72 HydrophobicContact CB-CG2 4.33Å; P70-V72 HydrophobicContact CG-CG2 4.34Å; P70-V72 WeakPolarHBondContact O-CG2 2.98Å; P70-V72 PolarHBondContact O-N 2.89Å
71Q72.5Confident73Confident157 Ų15795.2 Ų95.273%0.73458%0.58SS**  trans-78.780.7178.1-61.4-78.625.800109.6P69 F73P69-Q71 PolarHBondContact O-N 3.12Å; Q71-F73 VanDerWaalsContact C-N 3.33Å
72V67Low72.2Confident63 Ų6392.2 Ų92.238%0.38256%0.563SS.*  trans-74-27-175.4-168.50000112.3V53 P70V53-V72 HydrophobicContact CG1-CB 4.13Å; V53-V72 HydrophobicContact CG1-CG1 3.85Å; V53-V72 HydrophobicContact CG1-CG2 3.4Å; V53-V72 VanDerWaalsContact CG1-CG2 3.4Å; P70-V72 VanDerWaalsContact C-N 3.33Å; P70-V72 HydrophobicContact CB-CG2 4.33Å; P70-V72 HydrophobicContact CG-CG2 4.34Å; P70-V72 WeakPolarHBondContact O-CG2 2.98Å; P70-V72 PolarHBondContact O-N 2.89Å
73F62.3Low71.5Confident125 Ų12595.6 Ų95.655%0.54857%0.57SS.*  trans-148.3119.8-178.7-116.8-101000108.1M44 Q71 P75M44-F73 HydrophobicContact CE-CE1 4.11Å; M44-F73 HydrophobicContact CE-CE2 4.47Å; M44-F73 HydrophobicContact CE-CZ 3.52Å; Q71-F73 VanDerWaalsContact C-N 3.33Å; F73-P75 WeakPolarHBondContact O-CD 3.31Å
74T59.6Low70.9Confident117 Ų11798.3 Ų98.372%0.71858%0.584SS**  trans-75.8107.2159.1-360000104.9
75P54.6Low70.8Confident96 Ų9698.4 Ų98.462%0.62358%0.576SS**PPolyproline II helixtrans-57.314317126.3-33000107.4F73F73-P75 WeakPolarHBondContact O-CD 3.31Å
76P53.9Low70.6Confident90 Ų9092.1 Ų92.158%0.58456%0.56SS**PPolyproline II helixtrans-52.3147.9167.424.6-32.7000108.4A78 A80P76-A78 PolarHBondContact O-N 3.09Å; P76-A80 HydrophobicContact CB-CB 4.24Å
77P56.9Low70Confident108 Ų10893.3 Ų93.370%0.70155%0.552SS**PPolyproline II helixtrans-46.9134.3-177.519.9-32.6000109.6A79 A80P77-A79 PolarHBondContact O-N 3.19Å; P77-A80 PolarHBondContact O-N 3.03Å
78A56.5Low69.8Low93 Ų9395.8 Ų95.877%0.76956%0.56SS**THydrogen-bonded Turntrans-52.7-8.9-162.800000116.5P76P76-A78 PolarHBondContact O-N 3.09Å
79A57.5Low69.3Low84 Ų84100.6 Ų100.669%0.69456%0.564SS**THydrogen-bonded Turntrans-98.33.5178.900000114.8P77 R81P77-A79 PolarHBondContact O-N 3.19Å; A79-R81 PolarHBondContact O-N 3.22Å
80A62Low69.2Low51 Ų5198.7 Ų98.742%0.42155%0.552SS.*  trans-83.5104.9178.900000111.2P76 P77P76-A80 HydrophobicContact CB-CB 4.24Å; P77-A80 PolarHBondContact O-N 3.03Å
81R77.3Confident69.2Low165 Ų165105 Ų10562%0.62358%0.583SS**BIsolated β-bridgetrans-67.2140.4168.1-59.9176.382.9137.41.5109.5A79 Q83 G86 E88A79-R81 PolarHBondContact O-N 3.22Å; R81-Q83 PolarHBondContact O-N 2.95Å; R81-G86 PolarHBondContact NE-O 3.48Å; R81-G86 PolarHBondContact NH2-O 2.79Å; R81-E88 HydrophobicContact CG-CG 4.29Å; R81-E88 WeakPolarHBondContact CG-OE1 3.48Å
82C76Confident69.1Low22 Ų2298.5 Ų98.515%0.14956%0.558CS.*  trans-59.9129.4173.4164.30000110.2V84 C85 G86 M87 C90 C93C82-V84 PolarHBondContact O-N 3.32Å; C82-V84 PolarHBondContact SG-N 2.7Å; C82-C85 VanDerWaalsContact CB-SG 3.6Å; C82-C85 PolarHBondContact SG-N 3.5Å; C82-G86 WeakPolarHBondContact O-CA 3.17Å; C82-G86 PolarHBondContact O-N 3.37Å; C82-M87 PolarHBondContact N-O 3.15Å; C82-M87 VanDerWaalsContact N-O 3.08Å; C82-C90 HydrophobicContact CB-CB 3.25Å; C82-C93 WeakPolarHBondContact CB-SG 3.24Å; C82-C93 WeakPolarHBondContact SG-CB 3.39Å; C82-C93 CovalentContact SG-SG 2.06Å; C82-C93 PolarHBondContact SG-SG 2.75Å
83Q78.1Confident69.3Low196 Ų19696.9 Ų96.992%0.91655%0.549SS*.THydrogen-bonded Turntrans-65.2-21.1179.7-63-176.65.800113.6R81R81-Q83 PolarHBondContact O-N 2.95Å
84V79.3Confident69.5Low112 Ų11298.7 Ų98.768%0.67956%0.559SS**THydrogen-bonded Turntrans-91.8-44.4179.7-172.80000112.8C82 C93C82-V84 PolarHBondContact O-N 3.32Å; C82-V84 PolarHBondContact SG-N 2.7Å; V84-C93 HydrophobicContact CB-CB 3.54Å; V84-C93 HydrophobicContact CG1-CB 4.21Å; V84-C93 HydrophobicContact CG2-CB 3.64Å
85C86.3Confident69.4Low57 Ų57100.6 Ų100.639%0.38556%0.558SS.*THydrogen-bonded Turntrans-111.5-8.1-175.4780000115C82 M87 C90 C93C82-C85 VanDerWaalsContact CB-SG 3.6Å; C82-C85 PolarHBondContact SG-N 3.5Å; C85-M87 HydrophobicContact CB-CE 4.3Å; C85-M87 PolarHBondContact O-N 2.83Å; C85-M87 VanDerWaalsContact O-N 3.14Å; C85-M87 WeakPolarHBondContact SG-CE 3.44Å; C85-C90 PolarHBondContact SG-SG 3.49Å; C85-C93 PolarHBondContact SG-SG 2.93Å
86G80.7Confident69.4Low31 Ų31104.1 Ų104.132%0.3256%0.564SS.*  trans70.43.1176.600000116.1R81 C82R81-G86 PolarHBondContact NE-O 3.48Å; R81-G86 PolarHBondContact NH2-O 2.79Å; C82-G86 WeakPolarHBondContact O-CA 3.17Å; C82-G86 PolarHBondContact O-N 3.37Å
87M74.3Confident69.1Low113 Ų113103.1 Ų103.156%0.55756%0.564SS**  trans-79.5132.6179.1-60.3-169.5-70.300111.1C82 C85 R89 C90C82-M87 PolarHBondContact N-O 3.15Å; C82-M87 VanDerWaalsContact N-O 3.08Å; C85-M87 HydrophobicContact CB-CE 4.3Å; C85-M87 PolarHBondContact O-N 2.83Å; C85-M87 VanDerWaalsContact O-N 3.14Å; C85-M87 WeakPolarHBondContact SG-CE 3.44Å; M87-R89 PolarHBondContact O-N 3.33Å; M87-C90 PolarHBondContact O-N 3.43Å
88E77.2Confident68.6Low104 Ų104103.1 Ų103.149%0.48657%0.572SS.*BIsolated β-bridgetrans-57.8131.5161.4-64.9-87.213300107.7R81R81-E88 HydrophobicContact CG-CG 4.29Å; R81-E88 WeakPolarHBondContact CG-OE1 3.48Å
89R69.5Low68Low214 Ų214101.2 Ų101.281%0.80856%0.562SS**THydrogen-bonded Turntrans60.641.9-177.6-51.217864.5-138.40115.1M87 L91M87-R89 PolarHBondContact O-N 3.33Å; R89-L91 PolarHBondContact O-N 3.35Å
90C76.6Confident67.3Low42 Ų42106.8 Ų106.828%0.28457%0.574SS.*  trans-63.1125.9169.1-173.50000111.2C82 C85 M87 G92 C93C82-C90 HydrophobicContact CB-CB 3.25Å; C85-C90 PolarHBondContact SG-SG 3.49Å; M87-C90 PolarHBondContact O-N 3.43Å; C90-G92 VanDerWaalsContact C-N 3.27Å; C90-G92 PolarHBondContact O-N 3.12Å; C90-G92 PolarHBondContact SG-N 3.47Å; C90-C93 PolarHBondContact SG-N 2.94Å; C90-C93 PolarHBondContact SG-SG 3.3Å
91L74.2Confident66.3Low165 Ų165108.1 Ų108.186%0.86459%0.592SS**SBendtrans-79.6-0.6-179.7-65.6172000114.2R89R89-L91 PolarHBondContact O-N 3.35Å
92G71.5Confident64.3Low21 Ų21105 Ų10522%0.21660%0.602CS.*  trans158.557.5-179.200000119.6C90 E94 F95C90-G92 VanDerWaalsContact C-N 3.27Å; C90-G92 PolarHBondContact O-N 3.12Å; C90-G92 PolarHBondContact SG-N 3.47Å; G92-E94 PolarHBondContact O-N 3.08Å; G92-F95 WeakPolarHBondContact O-CB 3.44Å; G92-F95 PolarHBondContact O-N 2.87Å
93C71.6Confident62.8Low28 Ų28112.4 Ų112.419%0.18964%0.639CS.*THydrogen-bonded Turntrans-60.8-36.5160.9-54.70000111.8C82 V84 C85 C90 A97C82-C93 WeakPolarHBondContact CB-SG 3.24Å; C82-C93 WeakPolarHBondContact SG-CB 3.39Å; C82-C93 CovalentContact SG-SG 2.06Å; C82-C93 PolarHBondContact SG-SG 2.75Å; V84-C93 HydrophobicContact CB-CB 3.54Å; V84-C93 HydrophobicContact CG1-CB 4.21Å; V84-C93 HydrophobicContact CG2-CB 3.64Å; C85-C93 PolarHBondContact SG-SG 2.93Å; C90-C93 PolarHBondContact SG-N 2.94Å; C90-C93 PolarHBondContact SG-SG 3.3Å; C93-A97 WeakPolarHBondContact O-CB 3.35Å
94E65.5Low60.9Low163 Ų163106.8 Ų106.876%0.76263%0.633SS**THydrogen-bonded Turntrans-84.3-18.7174.4-63.3-169148.700112.7G92 F96 A97G92-E94 PolarHBondContact O-N 3.08Å; E94-F96 PolarHBondContact O-N 2.97Å; E94-F96 VanDerWaalsContact O-N 3.15Å; E94-A97 PolarHBondContact O-N 3.09Å; E94-A97 VanDerWaalsContact O-N 3.08Å
95F59Low58.9Low158 Ų158105.2 Ų105.269%0.69364%0.64SS**THydrogen-bonded Turntrans-63.4-22.7-180-158.9-91.3000112.6G92G92-F95 WeakPolarHBondContact O-CB 3.44Å; G92-F95 PolarHBondContact O-N 2.87Å
96F53.9Low56.5Low169 Ų169106 Ų10674%0.74166%0.658SS**THydrogen-bonded Turntrans-113.90.3173.3-62-78.4000113.6E94 A98E94-F96 PolarHBondContact O-N 2.97Å; E94-F96 VanDerWaalsContact O-N 3.15Å; F96-A98 VanDerWaalsContact C-N 3.31Å; F96-A98 PolarHBondContact O-N 3.28Å
97A47.9Very low54.5Low70 Ų70109.3 Ų109.358%0.57968%0.682SS**THydrogen-bonded Turntrans-80.3-2.7-169.300000115.2C93 E94 G99C93-A97 WeakPolarHBondContact O-CB 3.35Å; E94-A97 PolarHBondContact O-N 3.09Å; E94-A97 VanDerWaalsContact O-N 3.08Å; A97-G99 VanDerWaalsContact C-N 3.27Å; A97-G99 PolarHBondContact O-N 3.15Å
98A44.9Very low53.1Low107 Ų107113 Ų11388%0.88470%0.698SS**THydrogen-bonded Turntrans-84.811.3-179.300000114.6F96F96-A98 VanDerWaalsContact C-N 3.31Å; F96-A98 PolarHBondContact O-N 3.28Å
99G43.9Very low51.1Low53 Ų53117.6 Ų117.655%0.54672%0.716SS.*SBendtrans-144.889.6179.700000112.4A97A97-G99 VanDerWaalsContact C-N 3.27Å; A97-G99 PolarHBondContact O-N 3.15Å
100E44.6Very low49.6Very low202 Ų202111.6 Ų111.694%0.94471%0.713SS**SBendtrans59.2101.2154.4-52.3-169.4104.100117.7
101G40.5Very low47.6Very low79 Ų79114.5 Ų114.581%0.81474%0.739SS**  trans125.976.5151.500000115.7L103G101-L103 PolarHBondContact O-N 2.98Å
102A35.1Very low45.9Very low99 Ų99111.2 Ų111.282%0.81874%0.736SS**  trans-53.6131.7156.600000110.6
103L45.5Very low44.1Very low178 Ų178117.2 Ų117.293%0.93277%0.769SS**  trans-174.290.9146.3-96.5167.4000109.6G101G101-L103 PolarHBondContact O-N 2.98Å
104G37.5Very low42.1Very low77 Ų77119.7 Ų119.779%0.79480%0.799SS**  trans43.2117138.200000121.4
105G37.1Very low40.6Very low80 Ų80115.4 Ų115.483%0.82580%0.799SS**  93.2126.5104.500000119.1
106G36.6Very low39.4Very low73 Ų73112.9 Ų112.975%0.75381%0.807SS**  trans80.9103.6149.300000115.5
107A38.5Very low38.6Very low101 Ų101109.9 Ų109.984%0.83581%0.813SS**  53.1106.385.900000112.9
108E44.2Very low38.2Very low189 Ų189111.8 Ų111.888%0.88383%0.829SS**  168125.7108.3-156.7162.6115.300111.4
109K35.5Very low37.9Very low201 Ų201110 Ų11087%0.87482%0.821SS**  trans11.2153146.9-126.9175.8178.4-177.30122.4
110A37.6Very low38.1Very low89 Ų89117.1 Ų117.174%0.73684%0.84SS**  trans93.7105.5161.100000115.2
111A34.3Very low38.3Very low102 Ų102118.8 Ų118.884%0.84384%0.838SS**  5395.370.700000112.7
112A39.1Very low38.9Very low96 Ų96126.3 Ų126.379%0.79384%0.842SS**  trans179.6125140.900000111.2
113T33Very low39.7Very low147 Ų147133.7 Ų133.790%0.90285%0.848SS**  trans-38.4139.3153.3-220000112.9
114G31Very low40.2Very low80 Ų80136.3 Ų136.383%0.82585%0.846SS**  trans91.5123160.600000115.2
115G33.3Very low41Very low74 Ų74142.5 Ų142.576%0.76385%0.851SS**  trans16078.9170.600000113.7
116A34.2Very low42.1Very low105 Ų105147.6 Ų147.687%0.86885%0.85SS**SBendtrans-53.9138.9152.700000108.9
117A36.8Very low43.4Very low105 Ų105152.8 Ų152.887%0.86885%0.852SS**  trans80.475.8170.500000118.9
118A38.4Very low44.9Very low110 Ų110151.4 Ų151.491%0.90983%0.831SS**  trans-164.178.5148.800000111.6
119G40.1Very low46.8Very low70 Ų70150.8 Ų150.872%0.72283%0.825SS**  trans-143.825.5179.400000113.6R121G119-R121 PolarHBondContact O-N 3.49Å
120Q47.8Very low49.5Very low202 Ų202143.3 Ų143.394%0.94479%0.792SS**  trans-7659.1168.4-65.7-172.211.900110.1
121R49.3Very low52.1Low238 Ų238143.1 Ų143.190%0.89877%0.772SS**SBendtrans-107.192.5170-84.6-176147.3-149.2-4108.7G119G119-R121 PolarHBondContact O-N 3.49Å
122R51.9Low54.8Low236 Ų236139.4 Ų139.489%0.89174%0.744SS**  trans50.796.1165.9-59.1-166.1174.2-150.5-1.4114.8R124R122-R124 VanDerWaalsContact C-N 3.28Å; R122-R124 PolarHBondContact O-N 3.38Å
123R52.8Low57.5Low254 Ų254135.1 Ų135.196%0.95871%0.708SS**  trans-51.586.8164.6-70.3-175.1173.4-160.8-0.1110.1K125R123-K125 PolarHBondContact O-N 3.13Å
124R54.9Low60.4Low234 Ų234132.8 Ų132.888%0.88368%0.682SS**  trans-54.8114.4155.9-77.5-176.2174.8-178.1-1.7104.7R122 K126R122-R124 VanDerWaalsContact C-N 3.28Å; R122-R124 PolarHBondContact O-N 3.38Å; R124-K126 WeakPolarHBondContact O-CA 3.43Å; R124-K126 PolarHBondContact O-N 2.94Å
125K54.3Low63.4Low207 Ų207133.6 Ų133.690%0.967%0.665SS**  trans-38.5100.7179.5-92.8171.7172.3175.20108.2R123 K127R123-K125 PolarHBondContact O-N 3.13Å; K125-K127 PolarHBondContact O-N 2.91Å
126K59.7Low66.1Low187 Ų187137.9 Ų137.981%0.81366%0.658SS**  trans-71103.3-170.3-127.5168.8-178.6-1800105.6R124 N128R124-K126 WeakPolarHBondContact O-CA 3.43Å; R124-K126 PolarHBondContact O-N 2.94Å; K126-N128 PolarHBondContact O-N 3.27Å
127K65.5Low68.8Low182 Ų182139.5 Ų139.579%0.79166%0.66SS**SBendtrans-58.2-14.6173.8-74-178.8176-1750112.1K125K125-K127 PolarHBondContact O-N 2.91Å
128N69.6Low71.3Confident72 Ų72144.5 Ų144.539%0.38566%0.656SS.*  trans-102.2100.3-179.5-55.414.7000109.2K126K126-N128 PolarHBondContact O-N 3.27Å
129K83.8Confident73.8Confident176 Ų176140.9 Ų140.977%0.76563%0.629SS**  trans-67.7-33.9-179.4-173.790.6172.2-141.30112.5
130Y91.8Very high76.4Confident44 Ų44141.8 Ų141.817%0.17361%0.613CS.*SBendtrans-115.5145.5-170.6-57.9-73.1000112.7A162 E163 A166 N184 F185Y130-A162 HydrophobicContact CD2-CB 3.83Å; Y130-A162 HydrophobicContact CE2-CB 3.86Å; Y130-E163 HydrophobicContact CE2-CG 4.31Å; Y130-A166 HydrophobicContact CD1-CB 3.82Å; Y130-A166 HydrophobicContact CD2-CB 4.13Å; Y130-A166 HydrophobicContact CG-CB 3.57Å; Y130-N184 HydrophobicContact CD1-CB 4.13Å; Y130-F185 HydrophobicContact CD1-CZ 4.19Å; Y130-F185 AromaticContact CE1-CE1 3.84Å; Y130-F185 HydrophobicContact CE1-CE1 3.84Å; Y130-F185 AromaticContact CE1-CZ 3.71Å; Y130-F185 HydrophobicContact CE1-CZ 3.71Å
131R91.6Very high78.6Confident84 Ų84134.3 Ų134.332%0.31758%0.577SS.*THydrogen-bonded Turntrans-70.4139.2174.9-172.6174.1105.8-107.19.8109.7V133 Y169 K182 N184R131-V133 PolarHBondContact O-N 2.57Å; R131-Y169 HydrophobicContact CB-CE1 4.31Å; R131-Y169 HydrophobicContact CG-CE1 4.03Å; R131-Y169 PolarHBondContact NE-OH 3.26Å; R131-Y169 PolarHBondContact NH2-OH 3.11Å; R131-Y169 WeakPolarHBondContact O-CD1 3.36Å; R131-K182 PolarHBondContact NH1-O 3.3Å; R131-K182 PolarHBondContact NH2-O 3.46Å; R131-N184 WeakPolarHBondContact CA-OD1 3.3Å; R131-N184 VanDerWaalsContact CB-OD1 3.25Å; R131-N184 WeakPolarHBondContact CB-OD1 3.48Å; R131-N184 PolarHBondContact N-OD1 2.91Å; R131-N184 PolarHBondContact O-ND2 2.69Å
132G92.5Very high80.8Confident24 Ų24123.2 Ų123.225%0.24754%0.536CS..THydrogen-bonded Turntrans80.5-5.9178.200000114.4A143 E144 Y169G132-A143 WeakPolarHBondContact O-CA 3.35Å; G132-E144 PolarHBondContact O-N 3.03Å; G132-Y169 VanDerWaalsContact CA-CE2 3.45Å
133V94.4Very high82.9Confident7 Ų7112 Ų1124%0.04249%0.493CS..EExtended strand (participates in β ladder)trans-104.5129.3-177.7-175.90000110.3R131 W141 A142 A165 A166R131-V133 PolarHBondContact O-N 2.57Å; V133-W141 HydrophobicContact CG1-CB 4.17Å; V133-W141 HydrophobicContact CG1-CD2 4.33Å; V133-W141 HydrophobicContact CG1-CE3 3.52Å; V133-W141 HydrophobicContact CG1-CZ3 4.26Å; V133-A142 WeakPolarHBondContact CA-O 3.45Å; V133-A165 HydrophobicContact CB-CB 4.5Å; V133-A165 HydrophobicContact CG1-CB 3.85Å; V133-A165 HydrophobicContact CG2-CB 3.84Å; V133-A166 HydrophobicContact CG2-CB 3.94Å
134R94.1Very high84.9Confident98 Ų98102.5 Ų102.537%0.3746%0.46SS..EExtended strand (participates in β ladder)trans-124.4142.7172.861.2-179173.577.8-1.3110.5A142 E144R134-A142 HydrophobicContact CG-CB 3.97Å; R134-A142 PolarHBondContact N-O 2.81Å; R134-A142 PolarHBondContact O-N 2.88Å; R134-E144 IonicContact CZ-OE2 3.81Å; R134-E144 IonicContact NE-OE2 2.97Å; R134-E144 PolarHBondContact NE-OE2 3.12Å; R134-E144 IonicContact NH2-OE2 2.57Å; R134-E144 PolarHBondContact NH2-OE2 3.13Å; R134-E144 VanDerWaalsContact NH2-OE2 3.13Å
135Q93.7Very high86.8Confident97 Ų9791.9 Ų91.945%0.45342%0.42SS..EExtended strand (participates in β ladder)trans-94.6126.1173.2-166.4175.733.200109.3W141Q135-W141 HydrophobicContact CB-CE3 4.09Å; Q135-W141 HydrophobicContact CB-CZ3 4.06Å; Q135-W141 HydrophobicContact CG-CE3 4.48Å
136R91.9Very high88.7Confident164 Ų16489.4 Ų89.462%0.61941%0.406SS*.  trans-79.1154.1171.5-159.7167.8-155.4173.64.9108.9W138 G139 K140R136-W138 HydrophobicContact CB-CB 4.43Å; R136-W138 HydrophobicContact CG-CB 4.39Å; R136-W138 PolarHBondContact O-N 3.27Å; R136-G139 PolarHBondContact O-N 2.99Å; R136-K140 PolarHBondContact N-O 3.09Å; R136-K140 VanDerWaalsContact N-O 3.12Å
137P90.4Very high90Very high139 Ų13982 Ų8290%0.90337%0.374SS*.THydrogen-bonded Turntrans-54.7-21170.319.8-34.9000114G139P137-G139 PolarHBondContact O-N 2.86Å
138W88.6Confident91Very high209 Ų20977.8 Ų77.879%0.79237%0.366SS*.THydrogen-bonded Turntrans-69-10.8171.1-174.7-113.2000114.5R136 K140R136-W138 HydrophobicContact CB-CB 4.43Å; R136-W138 HydrophobicContact CG-CB 4.39Å; R136-W138 PolarHBondContact O-N 3.27Å; W138-K140 VanDerWaalsContact CD1-CG 3.47Å; W138-K140 PolarHBondContact O-N 3Å
139G91.1Very high91.8Very high34 Ų3486 Ų8635%0.35139%0.392SS..SBendtrans93.7-27.2178.700000114.7R136 P137R136-G139 PolarHBondContact O-N 2.99Å; P137-G139 PolarHBondContact O-N 2.86Å
140K93.9Very high91.9Very high89 Ų8985.7 Ų85.739%0.38739%0.386SS..  trans-62.5148.8175.4-61.6-72.1-171.9179.60111.9R136 W138 D160R136-K140 PolarHBondContact N-O 3.09Å; R136-K140 VanDerWaalsContact N-O 3.12Å; W138-K140 VanDerWaalsContact CD1-CG 3.47Å; W138-K140 PolarHBondContact O-N 3Å; K140-D160 VanDerWaalsContact CD-OD1 3.24Å; K140-D160 WeakPolarHBondContact CD-OD1 3.45Å; K140-D160 WeakPolarHBondContact CE-OD1 3.29Å; K140-D160 IonicContact NZ-OD1 3.13Å; K140-D160 PolarHBondContact NZ-OD1 3.31Å; K140-D160 IonicContact NZ-OD2 3.51Å
141W94.9Very high91.7Very high46 Ų4687.2 Ų87.217%0.17441%0.407CS..EExtended strand (participates in β ladder)trans-96.2131.6178.2-57.987000109.3V133 Q135 T158 F159 D160 T161 A162 A165V133-W141 HydrophobicContact CG1-CB 4.17Å; V133-W141 HydrophobicContact CG1-CD2 4.33Å; V133-W141 HydrophobicContact CG1-CE3 3.52Å; V133-W141 HydrophobicContact CG1-CZ3 4.26Å; Q135-W141 HydrophobicContact CB-CE3 4.09Å; Q135-W141 HydrophobicContact CB-CZ3 4.06Å; Q135-W141 HydrophobicContact CG-CE3 4.48Å; W141-T158 CarbonylContact O-C 3.43Å; W141-T158 VanDerWaalsContact O-CA 3.24Å; W141-T158 WeakPolarHBondContact O-CA 3.41Å; W141-F159 PolarHBondContact N-O 3.43Å; W141-F159 PolarHBondContact O-N 3.33Å; W141-D160 PolarHBondContact NE1-O 2.97Å; W141-T161 VanDerWaalsContact CD1-C 3.48Å; W141-A162 HydrophobicContact CD2-CB 3.65Å; W141-A162 HydrophobicContact CE3-CB 3.74Å; W141-A162 HydrophobicContact CG-CB 4.35Å; W141-A162 HydrophobicContact CH2-CB 3.72Å; W141-A162 HydrophobicContact CZ2-CB 3.68Å; W141-A162 HydrophobicContact CZ3-CB 3.75Å; W141-A165 HydrophobicContact CB-CB 3.98Å
142A95.2Very high91.6Very high4 Ų486.8 Ų86.83%0.03341%0.414CS..EExtended strand (participates in β ladder)trans-114.4138.7175.800000110V133 R134 T158V133-A142 WeakPolarHBondContact CA-O 3.45Å; R134-A142 HydrophobicContact CG-CB 3.97Å; R134-A142 PolarHBondContact N-O 2.81Å; R134-A142 PolarHBondContact O-N 2.88Å; A142-T158 HydrophobicContact CB-CG2 4.14Å
143A96.2Very high91.7Very high0 Ų093.9 Ų93.90%043%0.433CS..EExtended strand (participates in β ladder)trans-116.4135.2174.200000111G132 L156 G157 F159 A165G132-A143 WeakPolarHBondContact O-CA 3.35Å; A143-L156 HydrophobicContact CB-CB 4.17Å; A143-L156 HydrophobicContact CB-CD1 4.26Å; A143-L156 WeakPolarHBondContact O-CB 3.24Å; A143-L156 PolarHBondContact O-N 3.37Å; A143-G157 PolarHBondContact N-O 3.3Å; A143-G157 VanDerWaalsContact N-O 3.09Å; A143-G157 PolarHBondContact O-N 3.2Å; A143-F159 HydrophobicContact CB-CD2 4.36Å; A143-F159 HydrophobicContact CB-CE2 3.94Å; A143-A165 HydrophobicContact CB-CB 4.28Å; A143-A165 WeakPolarHBondContact CB-O 3.42Å
144E95.3Very high91.6Very high56 Ų5698 Ų9826%0.26245%0.451SS..EExtended strand (participates in β ladder)trans-147.2145.8176.262.6-171-125.200109.9G132 R134 K154 Y169G132-E144 PolarHBondContact O-N 3.03Å; R134-E144 IonicContact CZ-OE2 3.81Å; R134-E144 IonicContact NE-OE2 2.97Å; R134-E144 PolarHBondContact NE-OE2 3.12Å; R134-E144 IonicContact NH2-OE2 2.57Å; R134-E144 PolarHBondContact NH2-OE2 3.13Å; R134-E144 VanDerWaalsContact NH2-OE2 3.13Å; E144-K154 CarbonylContact C-O 3.58Å; E144-K154 WeakPolarHBondContact CA-O 3.12Å; E144-Y169 WeakPolarHBondContact O-CD2 3.47Å; E144-Y169 WeakPolarHBondContact O-CE2 3.34Å
145I94.2Very high91.6Very high10 Ų10101.8 Ų101.85%0.05147%0.465CS..EExtended strand (participates in β ladder)trans-110.4140.7177.3-170.9159.9000110.9R153 K154 L156 Y169 A172 A173 F176I145-R153 WeakPolarHBondContact O-CA 3.47Å; I145-K154 HydrophobicContact CG2-CB 3.72Å; I145-K154 HydrophobicContact CG2-CG 4.46Å; I145-K154 PolarHBondContact N-O 2.9Å; I145-K154 PolarHBondContact O-N 3.15Å; I145-L156 HydrophobicContact CB-CD1 4.38Å; I145-L156 HydrophobicContact CG2-CD2 4.09Å; I145-L156 HydrophobicContact CG2-CG 4.44Å; I145-Y169 HydrophobicContact CB-CD2 4.49Å; I145-Y169 HydrophobicContact CB-CE2 4.1Å; I145-Y169 HydrophobicContact CG1-CE2 4.24Å; I145-A172 HydrophobicContact CD1-CB 4.19Å; I145-A173 HydrophobicContact CD1-CB 4.37Å; I145-F176 HydrophobicContact CD1-CB 3.79Å; I145-F176 HydrophobicContact CD1-CD2 3.72Å; I145-F176 HydrophobicContact CD1-CE2 4.45Å; I145-F176 HydrophobicContact CD1-CG 3.79Å; I145-F176 HydrophobicContact CG2-CD2 4.06Å; I145-F176 HydrophobicContact CG2-CE1 4.47Å; I145-F176 HydrophobicContact CG2-CE2 3.68Å; I145-F176 HydrophobicContact CG2-CZ 3.91Å
146R93.8Very high91.7Very high156 Ų15699.1 Ų99.159%0.58945%0.454SS*.EExtended strand (participates in β ladder)trans-124126.3-178.4-177.5178.4-171.5-95.2-1.4110.5
147D87Confident91.9Very high30 Ų3092 Ų9216%0.1643%0.431CS..  trans-94.4126.4171.9-75.5-38000111.5R149 R150 A151 V152 F176D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 2.85Å; D147-R150 HydrophobicContact CB-CB 4.05Å; D147-A151 WeakPolarHBondContact O-CA 3.32Å; D147-A151 PolarHBondContact O-N 2.61Å; D147-A151 VanDerWaalsContact O-N 3.11Å; D147-V152 PolarHBondContact N-O 3.44Å; D147-F176 VanDerWaalsContact OD2-CD1 3.29Å; D147-F176 WeakPolarHBondContact OD2-CD1 3.47Å; D147-F176 WeakPolarHBondContact OD2-CE1 3.44Å
148P87.1Confident92.2Very high95 Ų9589.6 Ų89.662%0.61741%0.414SS*.THydrogen-bonded Turntrans-70.3-27.5175.928.5-33.7000112.4
149R87.4Confident92.5Very high244 Ų24481.2 Ų81.292%0.92138%0.383SS*.THydrogen-bonded Turntrans-81.9-43.4-178.2-70.1-171.7174.1-175.6-2113.1D147D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 2.85Å
150R86Confident92.7Very high170 Ų17084.6 Ų84.664%0.64239%0.393SS*.THydrogen-bonded Turntrans-88.2-15.7-176.6-6317669-171.43.4112.9D147 V152D147-R150 HydrophobicContact CB-CB 4.05Å; R150-V152 HydrophobicContact CB-CB 4.4Å; R150-V152 HydrophobicContact CB-CG2 4.2Å; R150-V152 WeakPolarHBondContact O-CG2 3.32Å; R150-V152 PolarHBondContact O-N 3.14Å
151A87.6Confident92.7Very high75 Ų7583.1 Ų83.162%0.6239%0.392SS*.  trans55.312.8-171.600000114.9D147D147-A151 WeakPolarHBondContact O-CA 3.32Å; D147-A151 PolarHBondContact O-N 2.61Å; D147-A151 VanDerWaalsContact O-N 3.11Å
152V89.4Confident92.7Very high76 Ų7681.2 Ų81.246%0.46139%0.386SS..  trans-88.7144177.7179.30000110.1D147 R150D147-V152 PolarHBondContact N-O 3.44Å; R150-V152 HydrophobicContact CB-CB 4.4Å; R150-V152 HydrophobicContact CB-CG2 4.2Å; R150-V152 WeakPolarHBondContact O-CG2 3.32Å; R150-V152 PolarHBondContact O-N 3.14Å
153R93.4Very high92.7Very high172 Ų17285.3 Ų85.365%0.64940%0.404SS*.EExtended strand (participates in β ladder)trans-107.9128.4169.8-58-177.8-170.7-176.24.4108.3I145I145-R153 WeakPolarHBondContact O-CA 3.47Å
154K93.2Very high92.6Very high95 Ų9589 Ų8941%0.41342%0.422SS..EExtended strand (participates in β ladder)trans-104.9121.8169.1178.8-178.9175.5-175.30108.3E144 I145 L156 F176E144-K154 CarbonylContact C-O 3.58Å; E144-K154 WeakPolarHBondContact CA-O 3.12Å; I145-K154 HydrophobicContact CG2-CB 3.72Å; I145-K154 HydrophobicContact CG2-CG 4.46Å; I145-K154 PolarHBondContact N-O 2.9Å; I145-K154 PolarHBondContact O-N 3.15Å; K154-L156 HydrophobicContact CD-CD2 4.26Å; K154-L156 HydrophobicContact CG-CD2 4.24Å; K154-F176 HydrophobicContact CB-CZ 4.01Å; K154-F176 HydrophobicContact CD-CE2 3.6Å; K154-F176 HydrophobicContact CD-CZ 3.4Å; K154-F176 VanDerWaalsContact CD-CZ 3.4Å; K154-F176 HydrophobicContact CG-CZ 4.34Å
155W93.8Very high92.7Very high176 Ų17686.4 Ų86.467%0.66741%0.409SS*.EExtended strand (participates in β ladder)trans-75.6126.8171.3175.345.6000108.8G157 T158W155-G157 PolarHBondContact NE1-O 2.94Å; W155-T158 HydrophobicContact CZ2-CG2 4.42Å
156L95.3Very high92.7Very high42 Ų4285.9 Ų85.922%0.2241%0.407CS..EExtended strand (participates in β ladder)trans-97.5-27.4-177.3-58.1176.4000112A143 I145 K154 Y169 A172A143-L156 HydrophobicContact CB-CB 4.17Å; A143-L156 HydrophobicContact CB-CD1 4.26Å; A143-L156 WeakPolarHBondContact O-CB 3.24Å; A143-L156 PolarHBondContact O-N 3.37Å; I145-L156 HydrophobicContact CB-CD1 4.38Å; I145-L156 HydrophobicContact CG2-CD2 4.09Å; I145-L156 HydrophobicContact CG2-CG 4.44Å; K154-L156 HydrophobicContact CD-CD2 4.26Å; K154-L156 HydrophobicContact CG-CD2 4.24Å; L156-Y169 HydrophobicContact CD1-CD2 4.05Å; L156-A172 HydrophobicContact CD1-CB 3.61Å; L156-A172 HydrophobicContact CD2-CB 3.52Å; L156-A172 HydrophobicContact CG-CB 4.23Å
157G95.9Very high92.8Very high14 Ų1485.7 Ų85.714%0.14441%0.406CS..EExtended strand (participates in β ladder)trans146.2-175.4178.400000112.9A143 W155A143-G157 PolarHBondContact N-O 3.3Å; A143-G157 VanDerWaalsContact N-O 3.09Å; A143-G157 PolarHBondContact O-N 3.2Å; W155-G157 PolarHBondContact NE1-O 2.94Å
158T96.2Very high93.2Very high88 Ų8885.1 Ų85.154%0.5441%0.405SS..EExtended strand (participates in β ladder)trans-123.6134.7169.953.70000108.5W141 A142 W155W141-T158 CarbonylContact O-C 3.43Å; W141-T158 VanDerWaalsContact O-CA 3.24Å; W141-T158 WeakPolarHBondContact O-CA 3.41Å; A142-T158 HydrophobicContact CB-CG2 4.14Å; W155-T158 HydrophobicContact CZ2-CG2 4.42Å
159F96Very high93.7Very high34 Ų3481.6 Ų81.615%0.14938%0.38CS..EExtended strand (participates in β ladder)trans-128.7159.5-173-53.4-87.6000110.1W141 A143 E164 A165 A168W141-F159 PolarHBondContact N-O 3.43Å; W141-F159 PolarHBondContact O-N 3.33Å; A143-F159 HydrophobicContact CB-CD2 4.36Å; A143-F159 HydrophobicContact CB-CE2 3.94Å; F159-E164 HydrophobicContact CB-CB 4.33Å; F159-E164 HydrophobicContact CB-CG 4.31Å; F159-E164 HydrophobicContact CD1-CB 4.43Å; F159-E164 HydrophobicContact CD1-CG 3.6Å; F159-E164 HydrophobicContact CE1-CG 4.26Å; F159-E164 HydrophobicContact CG-CG 4.19Å; F159-A165 HydrophobicContact CB-CB 4.01Å; F159-A165 HydrophobicContact CD2-CB 3.56Å; F159-A165 HydrophobicContact CE2-CB 4.4Å; F159-A165 HydrophobicContact CG-CB 4.05Å; F159-A168 HydrophobicContact CE1-CB 3.99Å; F159-A168 HydrophobicContact CE2-CB 3.73Å; F159-A168 HydrophobicContact CZ-CB 3.3Å
160D94.6Very high94Very high104 Ų10470.4 Ų70.456%0.55634%0.338SS*.SBendtrans-83.3-29.1-178.3-68.2-19000112.1K140 W141K140-D160 VanDerWaalsContact CD-OD1 3.24Å; K140-D160 WeakPolarHBondContact CD-OD1 3.45Å; K140-D160 WeakPolarHBondContact CE-OD1 3.29Å; K140-D160 IonicContact NZ-OD1 3.13Å; K140-D160 PolarHBondContact NZ-OD1 3.31Å; K140-D160 IonicContact NZ-OD2 3.51Å; W141-D160 PolarHBondContact NE1-O 2.97Å
161T95.2Very high94.4Very high59 Ų5968.3 Ų68.336%0.36234%0.336SS..SBendtrans-112.1152.517968.20000111.8W141 E163 E164 A165W141-T161 VanDerWaalsContact CD1-C 3.48Å; T161-E163 VanDerWaalsContact C-N 3.28Å; T161-E164 WeakPolarHBondContact OG1-CB 3.48Å; T161-E164 PolarHBondContact OG1-N 3.05Å; T161-E164 VanDerWaalsContact OG1-N 3.14Å; T161-A165 PolarHBondContact O-N 3.29Å
162A94.1Very high94.8Very high6 Ų664.9 Ų64.95%0.0531%0.308CS..Hα-helixtrans-69.8-34176.600000111Y130 W141 A166Y130-A162 HydrophobicContact CD2-CB 3.83Å; Y130-A162 HydrophobicContact CE2-CB 3.86Å; W141-A162 HydrophobicContact CD2-CB 3.65Å; W141-A162 HydrophobicContact CE3-CB 3.74Å; W141-A162 HydrophobicContact CG-CB 4.35Å; W141-A162 HydrophobicContact CH2-CB 3.72Å; W141-A162 HydrophobicContact CZ2-CB 3.68Å; W141-A162 HydrophobicContact CZ3-CB 3.75Å; A162-A166 VanDerWaalsContact O-CB 3.26Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.34Å
163E94.8Very high95Very high90 Ų9061.4 Ų61.442%0.42129%0.287SS..Hα-helixtrans-70.2-44.4-176.7-65.270.9-158.200111.2Y130 T161 A166 R167 F185Y130-E163 HydrophobicContact CE2-CG 4.31Å; T161-E163 VanDerWaalsContact C-N 3.28Å; E163-A166 PolarHBondContact O-N 2.91Å; E163-R167 WeakPolarHBondContact O-CG 3.33Å; E163-R167 PolarHBondContact O-N 3.4Å; E163-F185 HydrophobicContact CB-CZ 4.32Å
164E95.3Very high95Very high78 Ų7855.5 Ų55.536%0.36427%0.268SS..Hα-helixtrans-64.3-46174.5-173.4-175.9-171.700111.6F159 T161 A166 R167 A168F159-E164 HydrophobicContact CB-CB 4.33Å; F159-E164 HydrophobicContact CB-CG 4.31Å; F159-E164 HydrophobicContact CD1-CB 4.43Å; F159-E164 HydrophobicContact CD1-CG 3.6Å; F159-E164 HydrophobicContact CE1-CG 4.26Å; F159-E164 HydrophobicContact CG-CG 4.19Å; T161-E164 WeakPolarHBondContact OG1-CB 3.48Å; T161-E164 PolarHBondContact OG1-N 3.05Å; T161-E164 VanDerWaalsContact OG1-N 3.14Å; E164-A166 PolarHBondContact O-N 3.42Å; E164-R167 PolarHBondContact O-N 3.29Å; E164-R167 VanDerWaalsContact O-N 3.11Å; E164-A168 PolarHBondContact O-N 3.06Å
165A96Very high94.9Very high0 Ų057.8 Ų57.80%028%0.28CS..Hα-helixtrans-56.4-40.2173.600000112.3V133 W141 A143 F159 T161 Y169V133-A165 HydrophobicContact CB-CB 4.5Å; V133-A165 HydrophobicContact CG1-CB 3.85Å; V133-A165 HydrophobicContact CG2-CB 3.84Å; W141-A165 HydrophobicContact CB-CB 3.98Å; A143-A165 HydrophobicContact CB-CB 4.28Å; A143-A165 WeakPolarHBondContact CB-O 3.42Å; F159-A165 HydrophobicContact CB-CB 4.01Å; F159-A165 HydrophobicContact CD2-CB 3.56Å; F159-A165 HydrophobicContact CE2-CB 4.4Å; F159-A165 HydrophobicContact CG-CB 4.05Å; T161-A165 PolarHBondContact O-N 3.29Å; A165-Y169 WeakPolarHBondContact O-CB 3.48Å; A165-Y169 PolarHBondContact O-N 2.88Å
166A95.6Very high94.7Very high0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-69.6-36178.300000112.5Y130 V133 A162 E163 E164 Y169 D170 N184 F185Y130-A166 HydrophobicContact CD1-CB 3.82Å; Y130-A166 HydrophobicContact CD2-CB 4.13Å; Y130-A166 HydrophobicContact CG-CB 3.57Å; V133-A166 HydrophobicContact CG2-CB 3.94Å; A162-A166 VanDerWaalsContact O-CB 3.26Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.34Å; E163-A166 PolarHBondContact O-N 2.91Å; E164-A166 PolarHBondContact O-N 3.42Å; A166-Y169 PolarHBondContact O-N 3.25Å; A166-D170 VanDerWaalsContact O-CG 3.32Å; A166-D170 PolarHBondContact O-N 2.89Å; A166-N184 HydrophobicContact CB-CB 4.32Å; A166-F185 HydrophobicContact CB-CE2 3.49Å; A166-F185 VanDerWaalsContact CB-CE2 3.49Å; A166-F185 HydrophobicContact CB-CZ 3.91Å
167R95.4Very high94.4Very high152 Ų15258.4 Ų58.457%0.57428%0.281SS*.Hα-helixtrans-67.4-44.5174.8-75.3-171.1-67.9160.60.3111.7E163 E164 Y169 D170 Q171 F185E163-R167 WeakPolarHBondContact O-CG 3.33Å; E163-R167 PolarHBondContact O-N 3.4Å; E164-R167 PolarHBondContact O-N 3.29Å; E164-R167 VanDerWaalsContact O-N 3.11Å; R167-Y169 PolarHBondContact O-N 3.46Å; R167-D170 PolarHBondContact O-N 3.2Å; R167-D170 VanDerWaalsContact O-N 3.08Å; R167-Q171 WeakPolarHBondContact O-CG 3.24Å; R167-Q171 PolarHBondContact O-N 2.93Å; R167-F185 HydrophobicContact CB-CE2 4.47Å; R167-F185 HydrophobicContact CG-CD2 3.76Å; R167-F185 HydrophobicContact CG-CE2 3.57Å; R167-F185 HydrophobicContact CG-CZ 4.41Å
168A95.7Very high94.1Very high17 Ų1758.8 Ų58.814%0.1429%0.285CS..Hα-helixtrans-59.6-39.5174.100000111.5F159 E164 A172F159-A168 HydrophobicContact CE1-CB 3.99Å; F159-A168 HydrophobicContact CE2-CB 3.73Å; F159-A168 HydrophobicContact CZ-CB 3.3Å; E164-A168 PolarHBondContact O-N 3.06Å; A168-A172 PolarHBondContact O-N 3.44Å; A168-A172 VanDerWaalsContact O-N 3.13Å
169Y96.4Very high93.6Very high21 Ų2160.6 Ų60.68%0.08230%0.298CS..Hα-helixtrans-64.8-39173.3-177.5-89.7000113.1R131 G132 E144 I145 L156 A165 A166 R167 A173R131-Y169 HydrophobicContact CB-CE1 4.31Å; R131-Y169 HydrophobicContact CG-CE1 4.03Å; R131-Y169 PolarHBondContact NE-OH 3.26Å; R131-Y169 PolarHBondContact NH2-OH 3.11Å; R131-Y169 WeakPolarHBondContact O-CD1 3.36Å; G132-Y169 VanDerWaalsContact CA-CE2 3.45Å; E144-Y169 WeakPolarHBondContact O-CD2 3.47Å; E144-Y169 WeakPolarHBondContact O-CE2 3.34Å; I145-Y169 HydrophobicContact CB-CD2 4.49Å; I145-Y169 HydrophobicContact CB-CE2 4.1Å; I145-Y169 HydrophobicContact CG1-CE2 4.24Å; L156-Y169 HydrophobicContact CD1-CD2 4.05Å; A165-Y169 WeakPolarHBondContact O-CB 3.48Å; A165-Y169 PolarHBondContact O-N 2.88Å; A166-Y169 PolarHBondContact O-N 3.25Å; R167-Y169 PolarHBondContact O-N 3.46Å; Y169-A173 HydrophobicContact CE1-CB 4.44Å; Y169-A173 VanDerWaalsContact O-CB 3.31Å; Y169-A173 WeakPolarHBondContact O-CB 3.36Å; Y169-A173 PolarHBondContact O-N 2.97Å
170D94.9Very high93.2Very high9 Ų969.9 Ų69.95%0.04833%0.332CS..Hα-helixtrans-67.1-43.1177.9-76.5-7.4000112.1A166 R167 A172 A173 I174 L183 N184 F185A166-D170 VanDerWaalsContact O-CG 3.32Å; A166-D170 PolarHBondContact O-N 2.89Å; R167-D170 PolarHBondContact O-N 3.2Å; R167-D170 VanDerWaalsContact O-N 3.08Å; D170-A172 PolarHBondContact O-N 2.93Å; D170-A173 WeakPolarHBondContact O-CB 3.48Å; D170-A173 PolarHBondContact O-N 3.27Å; D170-A173 VanDerWaalsContact O-N 3.12Å; D170-I174 WeakPolarHBondContact O-CG1 3.38Å; D170-I174 PolarHBondContact O-N 3.12Å; D170-L183 HydrophobicContact CB-CB 4.31Å; D170-L183 HydrophobicContact CB-CD2 3.95Å; D170-L183 HydrophobicContact CB-CG 4.49Å; D170-L183 WeakPolarHBondContact OD1-CA 3.48Å; D170-N184 PolarHBondContact OD1-N 3.29Å; D170-N184 PolarHBondContact OD1-ND2 2.93Å; D170-N184 WeakPolarHBondContact OD2-CA 3.41Å; D170-N184 WeakPolarHBondContact OD2-CB 3.18Å; D170-N184 PolarHBondContact OD2-N 3.36Å; D170-F185 WeakPolarHBondContact OD2-CD2 3.18Å; D170-F185 PolarHBondContact OD2-N 3.24Å
171Q94.5Very high92.9Very high127 Ų12765.6 Ų65.659%0.59331%0.311SS*.Hα-helixtrans-56.5-50.5173.6-71.5172.6-4300111.1R167 A173 I174 E175R167-Q171 WeakPolarHBondContact O-CG 3.24Å; R167-Q171 PolarHBondContact O-N 2.93Å; Q171-A173 VanDerWaalsContact C-N 3.33Å; Q171-A173 PolarHBondContact O-N 2.98Å; Q171-I174 PolarHBondContact O-N 3.28Å; Q171-E175 PolarHBondContact O-N 3.46Å; Q171-E175 VanDerWaalsContact O-N 3.15Å
172A94.4Very high92.7Very high3 Ų370.3 Ų70.33%0.02533%0.327CS..Hα-helixtrans-61-42.6174.600000111.4I145 L156 A168 D170 I174 E175 F176I145-A172 HydrophobicContact CD1-CB 4.19Å; L156-A172 HydrophobicContact CD1-CB 3.61Å; L156-A172 HydrophobicContact CD2-CB 3.52Å; L156-A172 HydrophobicContact CG-CB 4.23Å; A168-A172 PolarHBondContact O-N 3.44Å; A168-A172 VanDerWaalsContact O-N 3.13Å; D170-A172 PolarHBondContact O-N 2.93Å; A172-I174 PolarHBondContact O-N 3.48Å; A172-E175 PolarHBondContact O-N 2.91Å; A172-E175 VanDerWaalsContact O-N 3.09Å; A172-F176 HydrophobicContact CB-CD2 4.29Å; A172-F176 HydrophobicContact CB-CE2 4.47Å; A172-F176 WeakPolarHBondContact O-CB 3.3Å; A172-F176 WeakPolarHBondContact O-CD2 3.36Å; A172-F176 PolarHBondContact O-N 3.44Å
173A93.9Very high92.6Very high3 Ų372 Ų723%0.02534%0.335CS..Hα-helixtrans-58.9-34.8179.800000112.6I145 Y169 D170 Q171 R177 A181 L183I145-A173 HydrophobicContact CD1-CB 4.37Å; Y169-A173 HydrophobicContact CE1-CB 4.44Å; Y169-A173 VanDerWaalsContact O-CB 3.31Å; Y169-A173 WeakPolarHBondContact O-CB 3.36Å; Y169-A173 PolarHBondContact O-N 2.97Å; D170-A173 WeakPolarHBondContact O-CB 3.48Å; D170-A173 PolarHBondContact O-N 3.27Å; D170-A173 VanDerWaalsContact O-N 3.12Å; Q171-A173 VanDerWaalsContact C-N 3.33Å; Q171-A173 PolarHBondContact O-N 2.98Å; A173-R177 WeakPolarHBondContact O-CB 3.49Å; A173-R177 PolarHBondContact O-N 2.69Å; A173-A181 HydrophobicContact CB-CB 4.12Å; A173-A181 VanDerWaalsContact O-CB 3.24Å; A173-A181 WeakPolarHBondContact O-CB 3.49Å; A173-L183 HydrophobicContact CB-CD2 3.95Å
174I92.8Very high92.5Very high48 Ų4869.7 Ų69.725%0.24633%0.326CS..Hα-helixtrans-67.6-47174-62.9166.2000110.9D170 Q171 A172 F176 G178 A181 L183 F187D170-I174 WeakPolarHBondContact O-CG1 3.38Å; D170-I174 PolarHBondContact O-N 3.12Å; Q171-I174 PolarHBondContact O-N 3.28Å; A172-I174 PolarHBondContact O-N 3.48Å; I174-F176 VanDerWaalsContact C-N 3.29Å; I174-F176 PolarHBondContact O-N 2.87Å; I174-G178 CarbonylContact O-C 3.6Å; I174-G178 WeakPolarHBondContact O-CA 3.44Å; I174-G178 PolarHBondContact O-N 3.26Å; I174-A181 HydrophobicContact CG1-CB 4.48Å; I174-L183 HydrophobicContact CD1-CD1 3.87Å; I174-L183 HydrophobicContact CD1-CD2 4.37Å; I174-L183 HydrophobicContact CG1-CD1 4.09Å; I174-L183 HydrophobicContact CG1-CD2 3.84Å; I174-F187 HydrophobicContact CD1-CD2 3.79Å; I174-F187 HydrophobicContact CD1-CE2 3.15Å; I174-F187 HydrophobicContact CD1-CZ 3.78Å
175E91.5Very high92.2Very high142 Ų14269.1 Ų69.166%0.66432%0.322SS*.Hα-helixtrans-59.9-39.9176.8-67.2172-170.900112.2Q171 A172Q171-E175 PolarHBondContact O-N 3.46Å; Q171-E175 VanDerWaalsContact O-N 3.15Å; A172-E175 PolarHBondContact O-N 2.91Å; A172-E175 VanDerWaalsContact O-N 3.09Å
176F89.3Confident91.7Very high64 Ų6474.7 Ų74.728%0.28136%0.358SS..Hα-helixtrans-83.3-38.2-173.8-84.7-91.5000114.3I145 D147 K154 A172 I174I145-F176 HydrophobicContact CD1-CB 3.79Å; I145-F176 HydrophobicContact CD1-CD2 3.72Å; I145-F176 HydrophobicContact CD1-CE2 4.45Å; I145-F176 HydrophobicContact CD1-CG 3.79Å; I145-F176 HydrophobicContact CG2-CD2 4.06Å; I145-F176 HydrophobicContact CG2-CE1 4.47Å; I145-F176 HydrophobicContact CG2-CE2 3.68Å; I145-F176 HydrophobicContact CG2-CZ 3.91Å; D147-F176 VanDerWaalsContact OD2-CD1 3.29Å; D147-F176 WeakPolarHBondContact OD2-CD1 3.47Å; D147-F176 WeakPolarHBondContact OD2-CE1 3.44Å; K154-F176 HydrophobicContact CB-CZ 4.01Å; K154-F176 HydrophobicContact CD-CE2 3.6Å; K154-F176 HydrophobicContact CD-CZ 3.4Å; K154-F176 VanDerWaalsContact CD-CZ 3.4Å; K154-F176 HydrophobicContact CG-CZ 4.34Å; A172-F176 HydrophobicContact CB-CD2 4.29Å; A172-F176 HydrophobicContact CB-CE2 4.47Å; A172-F176 WeakPolarHBondContact O-CB 3.3Å; A172-F176 WeakPolarHBondContact O-CD2 3.36Å; A172-F176 PolarHBondContact O-N 3.44Å; I174-F176 VanDerWaalsContact C-N 3.29Å; I174-F176 PolarHBondContact O-N 2.87Å
177R90Very high90.4Very high167 Ų16781 Ų8163%0.6339%0.385SS*.Hα-helixtrans-109.5-11.4-175.9-171.9175.7-74.4-155.20.2113A173 A181A173-R177 WeakPolarHBondContact O-CB 3.49Å; A173-R177 PolarHBondContact O-N 2.69Å; R177-A181 HydrophobicContact CB-CB 4.07Å
178G89Confident88.6Confident22 Ų2278.7 Ų78.723%0.22739%0.391CS..  trans87.3-172.6-17400000113.2I174 R180 A181I174-G178 CarbonylContact O-C 3.6Å; I174-G178 WeakPolarHBondContact O-CA 3.44Å; I174-G178 PolarHBondContact O-N 3.26Å; G178-R180 PolarHBondContact O-N 3.02Å; G178-A181 VanDerWaalsContact O-CB 3.3Å; G178-A181 WeakPolarHBondContact O-CB 3.41Å; G178-A181 PolarHBondContact O-N 3Å
179P86.9Confident86.5Confident127 Ų12785.2 Ų85.283%0.82542%0.418SS*.THydrogen-bonded Turntrans-64.5-13.8-174.826.1-35.5000114.1A181P179-A181 VanDerWaalsContact C-N 3.27Å; P179-A181 PolarHBondContact O-N 2.91Å
180R86.5Confident84Confident228 Ų22893 Ų9386%0.8646%0.455SS*.THydrogen-bonded Turntrans-91.316.1176.2-58.2-178.668.9174.64.1112.7G178G178-R180 PolarHBondContact O-N 3.02Å
181A89.7Confident81.4Confident15 Ų1597.6 Ų97.612%0.12449%0.486CS..  trans-63138.6176.600000111A173 I174 R177 G178 P179 L183A173-A181 HydrophobicContact CB-CB 4.12Å; A173-A181 VanDerWaalsContact O-CB 3.24Å; A173-A181 WeakPolarHBondContact O-CB 3.49Å; I174-A181 HydrophobicContact CG1-CB 4.48Å; R177-A181 HydrophobicContact CB-CB 4.07Å; G178-A181 VanDerWaalsContact O-CB 3.3Å; G178-A181 WeakPolarHBondContact O-CB 3.41Å; G178-A181 PolarHBondContact O-N 3Å; P179-A181 VanDerWaalsContact C-N 3.27Å; P179-A181 PolarHBondContact O-N 2.91Å; A181-L183 HydrophobicContact CB-CD2 3.83Å; A181-L183 PolarHBondContact O-N 3.47Å
182K90.2Very high78.6Confident157 Ų15798.2 Ų98.268%0.68350%0.498SS*.  trans-72.2122167.4-173167.8-175167.40106.8R131R131-K182 PolarHBondContact NH1-O 3.3Å; R131-K182 PolarHBondContact NH2-O 3.46Å
183L92.6Very high75.9Confident42 Ų42101.2 Ų101.222%0.2253%0.53CS..  trans-108.3166.3-179.9-54.8-175000110.9D170 A173 I174 A181 F185 F187D170-L183 HydrophobicContact CB-CB 4.31Å; D170-L183 HydrophobicContact CB-CD2 3.95Å; D170-L183 HydrophobicContact CB-CG 4.49Å; D170-L183 WeakPolarHBondContact OD1-CA 3.48Å; A173-L183 HydrophobicContact CB-CD2 3.95Å; I174-L183 HydrophobicContact CD1-CD1 3.87Å; I174-L183 HydrophobicContact CD1-CD2 4.37Å; I174-L183 HydrophobicContact CG1-CD1 4.09Å; I174-L183 HydrophobicContact CG1-CD2 3.84Å; A181-L183 HydrophobicContact CB-CD2 3.83Å; A181-L183 PolarHBondContact O-N 3.47Å; L183-F185 WeakPolarHBondContact CB-O 3.35Å; L183-F187 HydrophobicContact CD1-CD2 3.62Å; L183-F187 HydrophobicContact CD1-CE2 4.34Å; L183-F187 HydrophobicContact CD1-CG 4.48Å
184N92.1Very high73.6Confident42 Ų42109.1 Ų109.123%0.22557%0.566CS.*SBendtrans-82.5-37.2171.7-67.6-60.4000111.4Y130 R131 A166 D170Y130-N184 HydrophobicContact CD1-CB 4.13Å; R131-N184 WeakPolarHBondContact CA-OD1 3.3Å; R131-N184 VanDerWaalsContact CB-OD1 3.25Å; R131-N184 WeakPolarHBondContact CB-OD1 3.48Å; R131-N184 PolarHBondContact N-OD1 2.91Å; R131-N184 PolarHBondContact O-ND2 2.69Å; A166-N184 HydrophobicContact CB-CB 4.32Å; D170-N184 PolarHBondContact OD1-N 3.29Å; D170-N184 PolarHBondContact OD1-ND2 2.93Å; D170-N184 WeakPolarHBondContact OD2-CA 3.41Å; D170-N184 WeakPolarHBondContact OD2-CB 3.18Å; D170-N184 PolarHBondContact OD2-N 3.36Å
185F89.5Confident71.3Confident65 Ų65113.6 Ų113.629%0.28559%0.59SS.*SBendtrans-107.9147.5178.2-56.7-76.2000111.4Y130 E163 A166 R167 D170 L183 F187Y130-F185 HydrophobicContact CD1-CZ 4.19Å; Y130-F185 AromaticContact CE1-CE1 3.84Å; Y130-F185 HydrophobicContact CE1-CE1 3.84Å; Y130-F185 AromaticContact CE1-CZ 3.71Å; Y130-F185 HydrophobicContact CE1-CZ 3.71Å; E163-F185 HydrophobicContact CB-CZ 4.32Å; A166-F185 HydrophobicContact CB-CE2 3.49Å; A166-F185 VanDerWaalsContact CB-CE2 3.49Å; A166-F185 HydrophobicContact CB-CZ 3.91Å; R167-F185 HydrophobicContact CB-CE2 4.47Å; R167-F185 HydrophobicContact CG-CD2 3.76Å; R167-F185 HydrophobicContact CG-CE2 3.57Å; R167-F185 HydrophobicContact CG-CZ 4.41Å; D170-F185 WeakPolarHBondContact OD2-CD2 3.18Å; D170-F185 PolarHBondContact OD2-N 3.24Å; L183-F185 WeakPolarHBondContact CB-O 3.35Å; F185-F187 PolarHBondContact O-N 3.25Å
186P84.3Confident69.2Low117 Ų117115.4 Ų115.476%0.7660%0.599SS**PPolyproline II helixtrans-63.8128.9166.928.4-32.2000108.5P188P186-P188 WeakPolarHBondContact O-CD 3.23Å
187F68.3Low66.8Low132 Ų132116.9 Ų116.958%0.57961%0.614SS**PPolyproline II helixtrans-68124.2174.9-139.4-102000108.2I174 L183 F185I174-F187 HydrophobicContact CD1-CD2 3.79Å; I174-F187 HydrophobicContact CD1-CE2 3.15Å; I174-F187 HydrophobicContact CD1-CZ 3.78Å; L183-F187 HydrophobicContact CD1-CD2 3.62Å; L183-F187 HydrophobicContact CD1-CE2 4.34Å; L183-F187 HydrophobicContact CD1-CG 4.48Å; F185-F187 PolarHBondContact O-N 3.25Å
188P58.6Low65Low105 Ų105116.2 Ų116.268%0.68262%0.622SS**SBendtrans-69.2134162.630.3-29.6000106.8P186P186-P188 WeakPolarHBondContact O-CD 3.23Å
189E50.6Low62.9Low154 Ų154120.3 Ų120.372%0.7265%0.647SS**  trans75.191.7-177.8-131.870.2-143.400114.6
190Q43.7Very low61.1Low183 Ų183118.4 Ų118.486%0.85564%0.636SS**  -166.5104.1121-79.3-115.4-4.700107.5T192Q190-T192 PolarHBondContact O-N 3.05Å
191P40.2Very low59.3Low107 Ų107115 Ų11570%0.69564%0.635SS**  trans-61.6132.8171.625.7-30.5000109.1G193P191-G193 PolarHBondContact O-N 3.29Å
192T37.4Very low57.2Low140 Ų140117 Ų11786%0.85966%0.658SS**  trans-42.4103.5173.6450000112.8Q190Q190-T192 PolarHBondContact O-N 3.05Å
193G37.3Very low55.2Low66 Ų66118.6 Ų118.668%0.6867%0.668SS**  trans-90.899.6154.100000107.6P191P191-G193 PolarHBondContact O-N 3.29Å
194H44.5Very low53.1Low169 Ų169120.4 Ų120.478%0.78269%0.689SS**SBendtrans162.3102.9152.1-86.5-66.8000108.8
195D44.8Very low51Low141 Ų141123.8 Ų123.875%0.75472%0.716SS**SBendtrans78.487.4151.2-43.1-45000119.6
196E47Very low48.8Very low181 Ų181125.4 Ų125.485%0.84674%0.741SS**  159138.5118.8-89.7-78.894.400112.2
197P39.6Very low47Very low94 Ų94124.4 Ų124.461%0.6174%0.743SS**  trans-93.7154.1-173.137.6-31.4000112
198I51.4Low46.1Very low154 Ų154122.6 Ų122.679%0.7975%0.752SS**  trans159.7117.3139.9-86159.4000111.8
199S45.8Very low45.8Very low108 Ų108129 Ų12976%0.75576%0.762SS**  trans61.4141.3144.3-60.50000120.5
200S48.4Very low45.8Very low86 Ų86127 Ų12760%0.60177%0.766SS**  cis174.3149.4-4.648.10000106.6
201N49.4Very low46.5Very low157 Ų157124.1 Ų124.184%0.8477%0.766SS**  trans83.3129.7162.8-49.8-9.3000116.3
202G45.4Very low46.6Very low58 Ų58126 Ų12660%0.59877%0.77SS**  cis161.9139.53.500000109.1
203E48.8Very low47.2Very low189 Ų189125.9 Ų125.988%0.88377%0.769SS**  trans64.7138.6144.5-74.2145.388.400119.9
204A48.7Very low47.6Very low80 Ų80128.5 Ų128.566%0.66177%0.772SS**  cis-171.5159.1400000111.4
205S48.1Very low47.8Very low114 Ų114125.7 Ų125.780%0.79777%0.769SS**  trans72.3104.7147.3-54.40000118.4
206A41.9Very low47.8Very low99 Ų99124.5 Ų124.582%0.81877%0.771SS**  62.1107.461.900000114.4
207A46.3Very low48Very low96 Ų96122 Ų12279%0.79377%0.771SS**  151.5136.3111.800000113.7
208A50.3Low48.5Very low93 Ų93123.3 Ų123.377%0.76978%0.782SS**  trans82.6136.5145.200000115.6
209R51.6Low48.1Very low239 Ų239123.9 Ų123.990%0.90279%0.786SS**  cis-163152.123.1-55.5174.895.3158.50.4109.9
210S50.8Low48.1Very low113 Ų113125.1 Ų125.179%0.7979%0.793SS**  trans-47.5153.2175.5-44.30000116.9
211S58.4Low47.7Very low122 Ų122125.8 Ų125.885%0.85380%0.798SS**  -177.8136.7111.3-69.70000111.9
212D43.3Very low47.5Very low148 Ų148122.7 Ų122.779%0.79179%0.794SS**  trans-86.1120.7-174.8-171.3-1.6000110.3
213T49Very low47.5Very low136 Ų136127 Ų12783%0.83480%0.804SS**  trans-169.9102156.4-10.80000112.3
214T46.9Very low47.4Very low122 Ų122122.5 Ų122.575%0.74880%0.799SS**  trans-78.8171.115315.20000110.5
215P48.6Very low47.3Very low110 Ų110127.2 Ų127.271%0.71481%0.807SS**  cis-136162.2-8.435.1-16.2000114.8
216S44Very low46.8Very low115 Ų115129.9 Ų129.980%0.80481%0.807SS**  trans172139.3130.4-81.70000111.7
217P51.7Low46.8Very low129 Ų129136.6 Ų136.684%0.83881%0.811SS**  trans-99.4144.9-170.737.2-29.6000112.6
218S49.1Very low46.1Very low121 Ų121135.3 Ų135.385%0.84681%0.807SS**  trans-130.5108.8171.740.80000111.9
219L44.3Very low45.5Very low167 Ų167140 Ų14087%0.87481%0.813SS**  trans-18.7138.2157-65.2152.4000118
220C45.4Very low45.3Very low133 Ų133133.6 Ų133.690%0.89980%0.803SS**  trans-129.7120.9142.552.40000109.7
221S40.4Very low44.4Very low101 Ų101136.9 Ų136.971%0.70681%0.805SS**  trans-86.1154.2179.8-64.20000113.2
222A44.2Very low43.3Very low91 Ų91141.5 Ų141.575%0.75280%0.804SS**  trans169.398.7132.100000107.6
223D44.8Very low43.1Very low150 Ų150139.4 Ų139.480%0.80280%0.799SS**  86.5136.274-73.8-50.4000114.7
224A47.3Very low42.5Very low94 Ų94139.2 Ų139.278%0.77780%0.803SS**  trans81.9130.1167.400000118.1
225E46.3Very low42Very low178 Ų178137.7 Ų137.783%0.83280%0.802SS**  cis-164.7143.80.2-170.282.610400108
226E38.6Very low41.6Very low171 Ų171135.8 Ų135.880%0.79980%0.803SS**  trans-61133177.8-176-152.4110.700114.5
227R40.5Very low41.5Very low240 Ų240136.6 Ų136.691%0.90679%0.794SS**  trans-160.699.5146.1-163.7157.7-74.9-109.4-2.5113.4
228G32.9Very low41.4Very low69 Ų69138.3 Ų138.371%0.71179%0.791SS**  trans7874.6140.300000118.5
229Q37.4Very low41.5Very low190 Ų190135.9 Ų135.989%0.88878%0.778SS**  trans-83.4133.5150.4-82.8175.6-110.600108.9E231Q229-E231 PolarHBondContact O-N 3.45Å
230P46.9Very low41.9Very low106 Ų106130.3 Ų130.369%0.68876%0.761SS**  trans-70.1104.5168.828.5-29.3000108.2W232P230-W232 PolarHBondContact O-N 2.87Å
231E33.3Very low42.4Very low181 Ų181128.6 Ų128.685%0.84674%0.74SS**  trans-69.2107.6164.5-170.9178.699.300107.2Q229Q229-E231 PolarHBondContact O-N 3.45Å
232W34.5Very low43.3Very low220 Ų220129.7 Ų129.783%0.83373%0.734SS**  trans-71.2124.7169.2-70.688.1000107.5P230 S234P230-W232 PolarHBondContact O-N 2.87Å; W232-S234 PolarHBondContact O-N 3.35Å
233P38.5Very low44.5Very low104 Ų104131.2 Ų131.268%0.67573%0.729SS**  trans-67.6108-17324.5-30.8000109.9A235P233-A235 PolarHBondContact O-N 3.35Å
234S37.5Very low45.8Very low131 Ų131130 Ų13092%0.91672%0.721SS**  trans-77.832.8175.6-128.60000112.7W232W232-S234 PolarHBondContact O-N 3.35Å
235A34.6Very low46.9Very low90 Ų90132.6 Ų132.674%0.74471%0.711SS**SBendtrans-119.2105-174.800000110.9P233P233-A235 PolarHBondContact O-N 3.35Å
236G41Very low48.1Very low71 Ų71129.7 Ų129.773%0.73270%0.698SS**  trans10519.9159.300000118.3E238G236-E238 PolarHBondContact O-N 3.31Å
237Q42.8Very low50Low132 Ų132123.6 Ų123.662%0.61768%0.681SS**THydrogen-bonded Turntrans-79.4-1.6-168.1-153.8170.3500116.5A239 E241Q237-A239 PolarHBondContact O-N 3.21Å; Q237-E241 HydrophobicContact CG-CG 4.17Å; Q237-E241 WeakPolarHBondContact CG-OE2 3.33Å
238E49.6Very low51.6Low165 Ų165116.2 Ų116.277%0.77166%0.659SS**Hα-helixtrans-78-26.6-172.4-64-116.6104.200113.7G236 Q242G236-E238 PolarHBondContact O-N 3.31Å; E238-Q242 PolarHBondContact O-NE2 3.5Å
239A51.4Low53.5Low70 Ų70117.3 Ų117.358%0.57965%0.645SS**Hα-helixtrans-91.5-31-178.200000113.8Q237 L243Q237-A239 PolarHBondContact O-N 3.21Å; A239-L243 PolarHBondContact O-N 3.05Å
240G52.6Low55.3Low50 Ų50112.6 Ų112.652%0.51563%0.626SS.*Hα-helixtrans-76.6-34.4-17800000113.5L244G240-L244 WeakPolarHBondContact O-CB 3.44Å; G240-L244 PolarHBondContact O-N 3.41Å
241E55.1Low56.4Low96 Ų96113.2 Ų113.245%0.44962%0.623SS.*Hα-helixtrans-67.8-38.9175-86.5-176.299.800111.7Q237 L244 W245Q237-E241 HydrophobicContact CG-CG 4.17Å; Q237-E241 WeakPolarHBondContact CG-OE2 3.33Å; E241-L244 PolarHBondContact O-N 2.85Å; E241-W245 PolarHBondContact O-N 2.98Å
242Q59.3Low58.1Low124 Ų124110.4 Ų110.458%0.57961%0.611SS**Hα-helixtrans-64-44.6178.6-71.5178.369.200112.2E238 L244 W245 E246E238-Q242 PolarHBondContact O-NE2 3.5Å; Q242-L244 VanDerWaalsContact C-N 3.29Å; Q242-L244 PolarHBondContact O-N 3.25Å; Q242-W245 PolarHBondContact O-N 3.38Å; Q242-E246 WeakPolarHBondContact O-CB 3.45Å; Q242-E246 WeakPolarHBondContact O-CG 3.48Å; Q242-E246 PolarHBondContact O-N 3.31Å
243L69.1Low59.8Low123 Ų123107.4 Ų107.464%0.64460%0.6SS**Hα-helixtrans-64.7-32176.9-111.8147.8000112.9A239 G247A239-L243 PolarHBondContact O-N 3.05Å; L243-G247 PolarHBondContact O-N 2.79Å
244L72.7Confident60.9Low124 Ų124108.9 Ų108.965%0.64960%0.601SS**Hα-helixtrans-74.5-37.7176.5-162132.7000111.5G240 E241 Q242 L248G240-L244 WeakPolarHBondContact O-CB 3.44Å; G240-L244 PolarHBondContact O-N 3.41Å; E241-L244 PolarHBondContact O-N 2.85Å; Q242-L244 VanDerWaalsContact C-N 3.29Å; Q242-L244 PolarHBondContact O-N 3.25Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 PolarHBondContact O-N 3.35Å
245W70.5Confident61.8Low149 Ų149109.7 Ų109.756%0.56460%0.596SS**Hα-helixtrans-69.4-36.4172.1-75.2114.7000112.8E241 Q242 L248 Q249E241-W245 PolarHBondContact O-N 2.98Å; Q242-W245 PolarHBondContact O-N 3.38Å; W245-L248 HydrophobicContact CE3-CD2 4.44Å; W245-L248 HydrophobicContact CZ3-CD2 4.29Å; W245-Q249 PolarHBondContact O-N 2.96Å
246E71.9Confident62.8Low118 Ų118113.9 Ų113.955%0.55160%0.6SS**Hα-helixtrans-66.3-44.2172.8-76.2177.8146.500111.5Q242 L248 Q249 D250Q242-E246 WeakPolarHBondContact O-CB 3.45Å; Q242-E246 WeakPolarHBondContact O-CG 3.48Å; Q242-E246 PolarHBondContact O-N 3.31Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.15Å; E246-Q249 PolarHBondContact O-N 3.22Å; E246-D250 PolarHBondContact O-N 3.32Å
247G77.3Confident62.9Low42 Ų42113.1 Ų113.143%0.43359%0.592SS.*Hα-helixtrans-64-34.1175.500000113.6L243 L251L243-G247 PolarHBondContact O-N 2.79Å; G247-L251 WeakPolarHBondContact O-CB 3.36Å; G247-L251 PolarHBondContact O-N 3.47Å
248L74.6Confident62.9Low85 Ų85114 Ų11445%0.44560%0.596SS.*Hα-helixtrans-73.2-33.1175.3-152.979.4000112.1L244 W245 E246 M252L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 PolarHBondContact O-N 3.35Å; W245-L248 HydrophobicContact CE3-CD2 4.44Å; W245-L248 HydrophobicContact CZ3-CD2 4.29Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.15Å; L248-M252 PolarHBondContact O-N 2.94Å; L248-M252 VanDerWaalsContact O-N 3.15Å
249Q72.9Confident62.7Low93 Ų93110.9 Ų110.944%0.43559%0.59SS.*Hα-helixtrans-70.2-38.5172.3-8417743.900112.4W245 E246 L251 M252 R253W245-Q249 PolarHBondContact O-N 2.96Å; E246-Q249 PolarHBondContact O-N 3.22Å; Q249-L251 VanDerWaalsContact C-N 3.34Å; Q249-M252 HydrophobicContact CG-CE 4.29Å; Q249-M252 PolarHBondContact O-N 2.98Å; Q249-R253 WeakPolarHBondContact O-CG 3.47Å; Q249-R253 PolarHBondContact O-N 3.06Å
250D75.4Confident62.6Low91 Ų91118.1 Ų118.149%0.48760%0.603SS.*Hα-helixtrans-66.2-37.1173.7-90.7-1.9000111.9E246 M252 R253 L254E246-D250 PolarHBondContact O-N 3.32Å; D250-M252 VanDerWaalsContact C-N 3.35Å; D250-M252 PolarHBondContact O-N 3.2Å; D250-R253 PolarHBondContact O-N 3.43Å; D250-R253 IonicContact OD1-NH1 3.71Å; D250-L254 VanDerWaalsContact O-CG 3.28Å; D250-L254 WeakPolarHBondContact O-CG 3.28Å; D250-L254 PolarHBondContact O-N 3.04Å
251L69.3Low62.2Low118 Ų118122.8 Ų122.862%0.61862%0.615SS**Hα-helixtrans-65.3-36.9174.6-169.363.3000112.5G247 Q249G247-L251 WeakPolarHBondContact O-CB 3.36Å; G247-L251 PolarHBondContact O-N 3.47Å; Q249-L251 VanDerWaalsContact C-N 3.34Å
252M69.8Low61.9Low122 Ų122126.1 Ų126.160%0.60163%0.63SS**Hα-helixtrans-71.9-29.4173-72.4-170.6-62.500112.9L248 Q249 D250L248-M252 PolarHBondContact O-N 2.94Å; L248-M252 VanDerWaalsContact O-N 3.15Å; Q249-M252 HydrophobicContact CG-CE 4.29Å; Q249-M252 PolarHBondContact O-N 2.98Å; D250-M252 VanDerWaalsContact C-N 3.35Å; D250-M252 PolarHBondContact O-N 3.2Å
253R70Confident61.6Low157 Ų157126.5 Ų126.559%0.59264%0.644SS**Hα-helixtrans-74.1-26.1174.4-76.6176.6178.6137.93.9113.1Q249 D250 D255Q249-R253 WeakPolarHBondContact O-CG 3.47Å; Q249-R253 PolarHBondContact O-N 3.06Å; D250-R253 PolarHBondContact O-N 3.43Å; D250-R253 IonicContact OD1-NH1 3.71Å; R253-D255 VanDerWaalsContact C-N 3.35Å
254L61.4Low60.6Low135 Ų135124.6 Ų124.671%0.70765%0.645SS**Hα-helixtrans-77.6-17.9177.9-72.8169.1000113.5D250 E256D250-L254 VanDerWaalsContact O-CG 3.28Å; D250-L254 WeakPolarHBondContact O-CG 3.28Å; D250-L254 PolarHBondContact O-N 3.04Å; L254-E256 VanDerWaalsContact C-N 3.32Å
255D57Low59.3Low149 Ų149124.3 Ų124.380%0.79765%0.654SS**THydrogen-bonded Turntrans-81-12.2176.4-153.667.9000112.8R253 G257R253-D255 VanDerWaalsContact C-N 3.35Å; D255-G257 VanDerWaalsContact C-N 3.25Å; D255-G257 PolarHBondContact O-N 2.92Å
256E54.7Low58Low178 Ų178122.4 Ų122.483%0.83266%0.663SS**THydrogen-bonded Turntrans-88.116.9179.7-55-152.6115.600113.6L254L254-E256 VanDerWaalsContact C-N 3.32Å
257G44.3Very low56.8Low55 Ų55121.2 Ų121.257%0.56767%0.673SS**SBendtrans-142.528.6-16300000118.1D255D255-G257 VanDerWaalsContact C-N 3.25Å; D255-G257 PolarHBondContact O-N 2.92Å
258E41.9Very low55.4Low149 Ų149131.9 Ų131.970%0.69670%0.701SS**  trans-147.9101157.7-99.9-145.5101.100111.5W260E258-W260 PolarHBondContact O-N 3.12Å; E258-W260 VanDerWaalsContact O-N 3.12Å
259P44.8Very low54.1Low101 Ų101139.1 Ų139.166%0.65674%0.74SS**  trans-70.5110.1164.623-15.6000106.7L261P259-L261 HydrophobicContact CB-CG 4.34Å; P259-L261 PolarHBondContact O-N 2.82Å
260W49.7Very low53.2Low222 Ų222141.4 Ų141.484%0.84176%0.755SS**  trans-57.374.2165-65.192.7000109.9E258 H262E258-W260 PolarHBondContact O-N 3.12Å; E258-W260 VanDerWaalsContact O-N 3.12Å; W260-H262 PolarHBondContact O-N 3.14Å; W260-H262 VanDerWaalsContact O-N 3.14Å
261L43.7Very low52Low148 Ų148144.1 Ų144.178%0.77577%0.769SS**  trans-78.195.6169.7-76170.3000106.5P259P259-L261 HydrophobicContact CB-CG 4.34Å; P259-L261 PolarHBondContact O-N 2.82Å
262H49.7Very low51.1Low166 Ų166145.5 Ų145.577%0.76978%0.778SS**  trans-33.4132157.9-67.2-95.6000110.9W260 A264W260-H262 PolarHBondContact O-N 3.14Å; W260-H262 VanDerWaalsContact O-N 3.14Å; H262-A264 VanDerWaalsContact C-N 3.27Å; H262-A264 PolarHBondContact O-N 2.66Å
263P53.2Low50Low132 Ų132146.9 Ų146.986%0.85779%0.788SS**  trans-66.397.6163.527.1-29.6000107.2S265P263-S265 PolarHBondContact O-N 3.23Å
264A48.1Very low48.7Very low82 Ų82146.3 Ų146.368%0.67880%0.8SS**  trans-57.8127165.400000107.9H262 S266H262-A264 VanDerWaalsContact C-N 3.27Å; H262-A264 PolarHBondContact O-N 2.66Å; A264-S266 PolarHBondContact O-N 3.33Å
265S44.1Very low47.9Very low118 Ų118147 Ų14783%0.82581%0.806SS**  trans-37116.4167.155.50000112.9P263P263-S265 PolarHBondContact O-N 3.23Å
266S43.8Very low47.2Very low110 Ų110146.9 Ų146.977%0.76981%0.807SS**  trans-167134.8156.337.50000111.1A264A264-S266 PolarHBondContact O-N 3.33Å
267A47.1Very low46.6Very low92 Ų92144.5 Ų144.576%0.7681%0.805SS**  trans82.682.3162.500000118.4
268W47.1Very low46.8Very low267 Ų267151.9 Ų151.9100%1.01183%0.825SS**  trans-126.197.3139.4-68.469.2000107.4
269N48.6Very low47.3Very low236 Ų236152.2 Ų152.2100%1.26284%0.837SS**  trans-146.70154.1-154.421.1000106.3

Retrieved 269 of 269 residues in 121.1 ms (Link to these results)