A0A087X8J7_POEFO Loading...

Eukaryotic translation initiation factor 4B

Required for the binding of mRNA to ribosomes. Functions in close association with EIF4-F and EIF4-A. Binds near the 5'-terminal cap of mRNA in presence of EIF-4F and ATP. Promotes the ATPase activity and the ATP-dependent RNA unwinding activity of both EIF4-A and EIF4-F.

AlphaFold DB , UniProt , Accession A0A087X8J7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 639 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
1M37Very low48.5Very low247 Ų247168 Ų168100%1.21790%0.897SS**  0154.60-78.2-176171.400109.4
2A37.9Very low49.9Very low107 Ų107159.9 Ų159.988%0.88488%0.884SS**  trans57119.3167.100000118.5
3A42.8Very low51.5Low104 Ų104162.5 Ų162.586%0.8688%0.88SS**  trans-89.7153174.900000112.3
4S42Very low52.6Low120 Ų120160.9 Ų160.984%0.83988%0.879SS**  trans-150.2109.1152.6520000111
5A44.4Very low54Low100 Ų100157.1 Ų157.183%0.82686%0.857SS**  trans-78.7123.2177.500000110.5K7A5-K7 PolarHBondContact O-N 3.17Å
6K48Very low55.2Low208 Ų208153.4 Ų153.490%0.90484%0.84SS**  trans-67.195.9173.8-73.3178176.5174.50110.5K8K6-K8 PolarHBondContact O-N 3.47Å
7K55.4Low56.1Low199 Ų199152.2 Ų152.287%0.86583%0.832SS**  trans-58.5116.8166.7-98.7175.9169.8172.30109A5A5-K7 PolarHBondContact O-N 3.17Å
8K53.3Low57Low200 Ų200151.1 Ų151.187%0.8783%0.825SS**  trans-69.9128169.2-72.7-177.9177.9178.10109K6 K10K6-K8 PolarHBondContact O-N 3.47Å; K8-K10 PolarHBondContact O-N 3.06Å; K8-K10 VanDerWaalsContact O-N 3.08Å
9N55.8Low57.7Low158 Ų158148 Ų14885%0.84581%0.808SS**  trans-62.8108.6174.9-67.3-17.6000110.3K11N9-K11 PolarHBondContact O-N 2.9Å
10K57Low58.2Low207 Ų207148.3 Ų148.390%0.980%0.801SS**  trans-74104.7161-79.8-178.3175.8179.10107.2K8 G12K8-K10 PolarHBondContact O-N 3.06Å; K8-K10 VanDerWaalsContact O-N 3.08Å; K10-G12 PolarHBondContact O-N 3.07Å
11K59.9Low59Low198 Ų198147.2 Ų147.286%0.86179%0.794SS**PPolyproline II helixtrans-54.7129.1164.5-66.8178.6177.1-178.50107.6N9 K13N9-K11 PolarHBondContact O-N 2.9Å; K11-K13 PolarHBondContact O-N 3.09Å
12G65.1Low60.3Low71 Ų71138.9 Ų138.973%0.73276%0.764SS**PPolyproline II helixtrans-57.8132.6173.100000109.5K10 T14K10-G12 PolarHBondContact O-N 3.07Å; G12-T14 PolarHBondContact O-N 3.45Å
13K71.1Confident61.1Low193 Ų193142.4 Ų142.484%0.83976%0.763SS**PPolyproline II helixtrans-71.4123.1169.4-74.2-179.3175.1-177.50107.4K11 L15K11-K13 PolarHBondContact O-N 3.09Å; K13-L15 PolarHBondContact O-N 3.18Å; K13-L15 VanDerWaalsContact O-N 3.13Å
14T66.9Low61.7Low140 Ų140145 Ų14586%0.85976%0.762SS**  trans-71.8100.3168.548.20000108.4G12G12-T14 PolarHBondContact O-N 3.45Å
15L73.2Confident62.1Low105 Ų105142.8 Ų142.855%0.5576%0.758SS.*  trans-72.8146.8170.5-61.6175.5000109.4K13 D19K13-L15 PolarHBondContact O-N 3.18Å; K13-L15 VanDerWaalsContact O-N 3.13Å; L15-D19 WeakPolarHBondContact CD2-OD2 3.42Å
16T73.3Confident61.9Low97 Ų97141.9 Ų141.960%0.59576%0.758SS**  trans-84.8156.3173680000109.6N18 D19 F20T16-N18 PolarHBondContact O-N 3.08Å; T16-N18 VanDerWaalsContact O-N 3.11Å; T16-D19 WeakPolarHBondContact O-CB 3.3Å; T16-D19 PolarHBondContact O-N 2.77Å; T16-F20 PolarHBondContact O-N 3.5Å
17L70.8Confident61.7Low134 Ų134136 Ų13670%0.70276%0.757SS**Hα-helixtrans-59.5-28.5-172.7-143.7154.7000112.7L21L17-L21 HydrophobicContact CD2-CD1 3.7Å; L17-L21 HydrophobicContact CD2-CG 4.27Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.04Å
18N71.8Confident60.6Low131 Ų131129.8 Ų129.870%0.70175%0.749SS**Hα-helixtrans-73.2-26.8176.2-69.313.6000113.9T16 A22T16-N18 PolarHBondContact O-N 3.08Å; T16-N18 VanDerWaalsContact O-N 3.11Å; N18-A22 WeakPolarHBondContact O-CB 3.1Å; N18-A22 PolarHBondContact O-N 2.87Å
19D70Confident59.9Low93 Ų93127.1 Ų127.150%0.49775%0.75SS.*Hα-helixtrans-78-37.1-180-14925000110.2L15 T16 A22L15-D19 WeakPolarHBondContact CD2-OD2 3.42Å; T16-D19 WeakPolarHBondContact O-CB 3.3Å; T16-D19 PolarHBondContact O-N 2.77Å; D19-A22 PolarHBondContact O-N 2.85Å
20F68.7Low59.6Low154 Ų154125.5 Ų125.568%0.67575%0.748SS**Hα-helixtrans-69.2-31.2174.8-165.2-97.3000113.1T16 A22T16-F20 PolarHBondContact O-N 3.5Å; F20-A22 VanDerWaalsContact C-N 3.31Å
21L74.8Confident58.6Low125 Ų125120.5 Ų120.565%0.65475%0.745SS**Hα-helixtrans-79.5-10.5174.9-72.8171.3000113.8L17L17-L21 HydrophobicContact CD2-CD1 3.7Å; L17-L21 HydrophobicContact CD2-CG 4.27Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.04Å
22A63.8Low58.2Low72 Ų72116.8 Ų116.860%0.59574%0.741SS**Hα-helixtrans-94.1-25.9-177.900000113.9N18 D19 F20N18-A22 WeakPolarHBondContact O-CB 3.1Å; N18-A22 PolarHBondContact O-N 2.87Å; D19-A22 PolarHBondContact O-N 2.85Å; F20-A22 VanDerWaalsContact C-N 3.31Å
23E55.3Low57.2Low182 Ų182117.8 Ų117.885%0.8574%0.737SS**Hα-helixtrans-84.7-26.8-177.4-111.4-164.8160.400114.7G25E23-G25 PolarHBondContact O-N 3.08Å
24D54.8Low55.9Low158 Ų158118.6 Ų118.685%0.84574%0.737SS**SBendtrans-83.47.7-174.8-138.4-108.8000113.9
25G51.1Low54.9Low73 Ų73116.8 Ų116.875%0.75373%0.727SS**  trans-117.644.1-167.600000115.6E23E23-G25 PolarHBondContact O-N 3.08Å
26G39Very low53.8Low81 Ų81118 Ų11884%0.83574%0.741SS**  trans-14243.4-16100000119.8
27G44.8Very low52.5Low84 Ų84122.8 Ų122.887%0.86675%0.754SS**SBendtrans154.8100.5156.500000118.9
28G33.2Very low51.5Low69 Ų69121.8 Ų121.871%0.71176%0.758SS**  trans140.456.9156.500000120.1
29T38Very low50.2Low145 Ų145122 Ų12289%0.8976%0.764SS**  trans58.3177.4155.367.80000117.3
30P49.1Very low49.5Very low123 Ų123122 Ų12280%0.79977%0.772SS**  -120.6145.5-91.435.3-19.1000115.1
31A35.8Very low48.7Very low102 Ų102126.7 Ų126.784%0.84379%0.785SS**  trans-150.1130.1172.900000113.7
32P52.3Low47.4Very low120 Ų120124.4 Ų124.478%0.77978%0.784SS**  trans-119.3137.7171.336.3-25.1000115.4
33S43.5Very low46.7Very low92 Ų92128.1 Ų128.164%0.64379%0.794SS**  trans68.9147.6157.7-144.40000117.4
34Y43.3Very low46.5Very low211 Ų211128.1 Ų128.183%0.82779%0.794SS**  cis-145.9-153.825.5-72.2-95.2000111.4
35P45.8Very low46.3Very low102 Ų102126 Ų12666%0.66279%0.786SS**  -128.1169.8-87.241.2-25000115.3
36P50.3Low46.4Very low129 Ų129129.5 Ų129.584%0.83879%0.788SS**  trans-94.3140.3168.234.7-31.1000114.3
37K46.7Very low46.9Very low199 Ų199132.9 Ų132.987%0.86579%0.787SS**  trans-108162.1159.1-58175.7-179.2175.70107.1
38S48.5Very low47.1Very low113 Ų113136 Ų13679%0.7978%0.783SS**  cis-154.3142.31545.30000110.8
39T46.2Very low47.9Very low134 Ų134140.6 Ų140.682%0.82279%0.791SS**  trans-79.1137.2166.1-74.80000110.6
40S53.6Low48.4Very low95 Ų95136 Ų13666%0.66477%0.773SS**  trans-70.5138.4175.1-1740000111.1
41W53.5Low48.2Very low252 Ų252138.3 Ų138.396%0.95578%0.779SS**SBendtrans-96.113.8-172.3-122.471.5000113.9
42A46.3Very low48.1Very low76 Ų76140.3 Ų140.363%0.62878%0.78SS**SBendtrans-127.413.3-158.400000115.4
43D50Low47.6Very low150 Ų150138.5 Ų138.580%0.80278%0.776SS**SBendtrans-124.39.9-171.4-146.460.9000113
44E50.3Low47.7Very low183 Ų183140.8 Ų140.886%0.85579%0.786SS**SBendtrans-128.914.7-175.1-147.4-178.2147.500113.2
45T51.9Low47.6Very low112 Ų112135.6 Ų135.669%0.68778%0.78SS**SBendtrans-117.3-0.8-178.553.10000115.1
46D53.3Low47.5Very low148 Ų148142.6 Ų142.679%0.79179%0.794SS**SBendtrans-98.1-14.9-176.7-138.4-121.4000113.1
47D49Very low47.2Very low151 Ų151144.4 Ų144.481%0.80779%0.791SS**THydrogen-bonded Turntrans-94.921.8-173.6-84-64.7000114.7
48L49.1Very low47.1Very low149 Ų149140 Ų14078%0.7878%0.78SS**THydrogen-bonded Turntrans-126.112.8-177.3-77.5175.8000115.9G50L48-G50 VanDerWaalsContact C-N 3.3Å; L48-G50 PolarHBondContact O-N 3.14Å
49D49.8Very low46.8Very low166 Ų166142.9 Ų142.989%0.88878%0.781SS**SBendtrans-92.434.6176.5-92.5-76.2000113.8
50G48.8Very low46.9Very low50 Ų50144.7 Ų144.752%0.51578%0.781SS.*SBendtrans-141.7123.4176.500000113.3L48L48-G50 VanDerWaalsContact C-N 3.3Å; L48-G50 PolarHBondContact O-N 3.14Å
51D43.4Very low46.6Very low171 Ų171144.7 Ų144.791%0.91477%0.773SS**SBendtrans69.728.3159-51.6-30.7000119.8
52V35.4Very low46.7Very low143 Ų143137.8 Ų137.887%0.86776%0.759SS**  trans-102.875.3156.5179.40000110.5T54V52-T54 PolarHBondContact O-N 3.28Å
53A41.5Very low47Very low83 Ų83145.1 Ų145.169%0.68677%0.772SS**  trans-71.7124161.200000109.9S55A53-S55 PolarHBondContact O-N 2.91Å; A53-S55 VanDerWaalsContact O-N 3.15Å
54T44.2Very low47.3Very low140 Ų140148.4 Ų148.486%0.85977%0.773SS**  trans-20.5106155.247.30000115V52V52-T54 PolarHBondContact O-N 3.28Å
55S41.3Very low47.5Very low102 Ų102142.9 Ų142.971%0.71376%0.759SS**  trans-149.460.4166.8-163.80000112A53A53-S55 PolarHBondContact O-N 2.91Å; A53-S55 VanDerWaalsContact O-N 3.15Å
56W45Very low47.9Very low248 Ų248143 Ų14394%0.93976%0.761SS**SBendtrans-144.332.3163.5-79113.2000111.8
57H42.6Very low48.2Very low168 Ų168142 Ų14278%0.77876%0.763SS**  trans-130.5104.2162.3-73.9-58.8000108
58T44.6Very low48.6Very low105 Ų105141.4 Ų141.464%0.64476%0.759SS**  trans-63.4142.3164.9-41.70000108.1E60 D61T58-E60 PolarHBondContact O-N 3.42Å; T58-D61 PolarHBondContact O-N 2.89Å; T58-D61 VanDerWaalsContact O-N 3.15Å
59E43.3Very low48.8Very low174 Ų174138.9 Ų138.981%0.81375%0.746SS**G310 helixtrans-52-26-173.660.1-157.5144.500115.1T62E59-T62 PolarHBondContact O-OG1 3.3Å
60E48.7Very low49.2Very low172 Ų172141.1 Ų141.180%0.80474%0.742SS**G310 helixtrans-69.8-27.9-178.7-166.7164.4-153.400115T58 T62T58-E60 PolarHBondContact O-N 3.42Å; E60-T62 VanDerWaalsContact C-N 3.3Å; E60-T62 PolarHBondContact O-N 3.18Å
61D47.6Very low49.6Very low95 Ų95143.3 Ų143.351%0.50875%0.749SS.*G310 helixtrans-79-14.4-174.8-129.8-27000113.3T58 Y63 R64T58-D61 PolarHBondContact O-N 2.89Å; T58-D61 VanDerWaalsContact O-N 3.15Å; D61-Y63 PolarHBondContact O-N 2.97Å; D61-R64 PolarHBondContact O-N 2.82Å; D61-R64 VanDerWaalsContact O-N 3.09Å
62T54.7Low50.3Low108 Ų108141.7 Ų141.766%0.66374%0.739SS**G310 helixtrans-61.7-17.8-176.7-34.50000113.8E59 E60E59-T62 PolarHBondContact O-OG1 3.3Å; E60-T62 VanDerWaalsContact C-N 3.3Å; E60-T62 PolarHBondContact O-N 3.18Å
63Y52.4Low51.3Low230 Ų230139.2 Ų139.290%0.90272%0.721SS**G310 helixtrans-97.8-7.8179.3-98-92.2000114.6D61D61-Y63 PolarHBondContact O-N 2.97Å
64R57.2Low52Low218 Ų218140.1 Ų140.182%0.82372%0.719SS**THydrogen-bonded Turntrans-102.3-19.9-169.1-170.4164.8-117-94.3-0.3115D61D61-R64 PolarHBondContact O-N 2.82Å; D61-R64 VanDerWaalsContact O-N 3.09Å
65A54Low52.5Low67 Ų67139.5 Ų139.555%0.55472%0.716SS**SBendtrans-135.8139175.400000111.3
66P59.4Low52.8Low114 Ų114137.4 Ų137.474%0.7470%0.704SS**  trans-63.8145.417228.3-34000110.2I68P66-I68 PolarHBondContact O-N 3.39Å
67P60.4Low53.2Low128 Ų128129.6 Ų129.683%0.83169%0.686SS**  trans-60.6125.3-179.524.8-33.8000110.5D69P67-D69 PolarHBondContact O-N 3.45Å; P67-D69 VanDerWaalsContact O-N 3.14Å
68I57.9Low53.6Low139 Ų139133.2 Ų133.271%0.71369%0.693SS**  trans-69.7111.1-178.3-59.5171.8000108.9P66 R70P66-I68 PolarHBondContact O-N 3.39Å; I68-R70 PolarHBondContact O-N 2.88Å; I68-R70 VanDerWaalsContact O-N 3.09Å
69D53.5Low53.9Low96 Ų96134 Ų13451%0.51370%0.702SS.*  trans-70.3106.5179.6-161.8-28.6000110.7P67 S71 I72P67-D69 PolarHBondContact O-N 3.45Å; P67-D69 VanDerWaalsContact O-N 3.14Å; D69-S71 PolarHBondContact O-N 2.87Å; D69-S71 VanDerWaalsContact O-N 3.11Å; D69-S71 WeakPolarHBondContact OD1-CB 3.5Å; D69-S71 PolarHBondContact OD1-N 3.2Å; D69-S71 VanDerWaalsContact OD1-N 3.12Å; D69-S71 PolarHBondContact OD1-OG 3.27Å; D69-I72 HydrophobicContact CB-CD1 4.1Å; D69-I72 HydrophobicContact CB-CG1 4.31Å; D69-I72 PolarHBondContact O-N 3.19Å; D69-I72 VanDerWaalsContact O-N 3.1Å
70R56.3Low54.1Low213 Ų213129 Ų12980%0.80469%0.691SS**G310 helixtrans-64.3-13.1-177.3-78.4175.2152.9175.9-7.9113.4I68 I72 L73I68-R70 PolarHBondContact O-N 2.88Å; I68-R70 VanDerWaalsContact O-N 3.09Å; R70-I72 VanDerWaalsContact C-N 3.25Å; R70-I72 PolarHBondContact O-N 2.94Å; R70-L73 HydrophobicContact CG-CD1 4.39Å
71S57.8Low54.1Low96 Ų96127 Ų12767%0.67168%0.676SS**G310 helixtrans-70.3-18.117365.40000113.9D69D69-S71 PolarHBondContact O-N 2.87Å; D69-S71 VanDerWaalsContact O-N 3.11Å; D69-S71 WeakPolarHBondContact OD1-CB 3.5Å; D69-S71 PolarHBondContact OD1-N 3.2Å; D69-S71 VanDerWaalsContact OD1-N 3.12Å; D69-S71 PolarHBondContact OD1-OG 3.27Å
72I58Low54.1Low137 Ų137130.5 Ų130.570%0.70369%0.689SS**G310 helixtrans-98.1-6.3-175.8-50.7178.7000111.7D69 R70D69-I72 HydrophobicContact CB-CD1 4.1Å; D69-I72 HydrophobicContact CB-CG1 4.31Å; D69-I72 PolarHBondContact O-N 3.19Å; D69-I72 VanDerWaalsContact O-N 3.1Å; R70-I72 VanDerWaalsContact C-N 3.25Å; R70-I72 PolarHBondContact O-N 2.94Å
73L57.2Low54.1Low91 Ų91129.4 Ų129.448%0.47668%0.684SS.*SBendtrans-78.4133.5177.3-64.4178.5000111.2R70 T75R70-L73 HydrophobicContact CG-CD1 4.39Å; L73-T75 VanDerWaalsContact C-N 3.28Å; L73-T75 PolarHBondContact O-N 3.15Å; L73-T75 PolarHBondContact O-OG1 3.38Å; L73-T75 VanDerWaalsContact O-OG1 3.06Å
74P56.9Low53.9Low101 Ų101123.8 Ų123.866%0.65667%0.669SS**  trans-73.480.4-176.631.1-36000111.2A76P74-A76 PolarHBondContact O-N 3.29Å
75T52.8Low53.8Low128 Ų128114.9 Ų114.979%0.78564%0.638SS**  trans-8521.3-175.2-49.70000112.5L73L73-T75 VanDerWaalsContact C-N 3.28Å; L73-T75 PolarHBondContact O-N 3.15Å; L73-T75 PolarHBondContact O-OG1 3.38Å; L73-T75 VanDerWaalsContact O-OG1 3.06Å
76A48.4Very low53.6Low57 Ų57116.6 Ų116.647%0.47163%0.634SS.*SBendtrans-91.9133.8166.100000109.3P74P74-A76 PolarHBondContact O-N 3.29Å
77P53.8Low53.1Low85 Ų85121.3 Ų121.355%0.55264%0.637SS**  trans-58.9147173.225.9-33.3000109.6S79 A80 R81P77-S79 PolarHBondContact O-N 2.91Å; P77-A80 HydrophobicContact CG-CB 3.87Å; P77-A80 PolarHBondContact O-N 2.89Å; P77-R81 PolarHBondContact O-N 3.44Å
78R50.8Low52.6Low244 Ų244120.9 Ų120.992%0.92164%0.637SS**THydrogen-bonded Turntrans-54.5-19.9-175-74.7-179171.8179.4-3.4114.8
79S51.3Low52.4Low121 Ų121121.8 Ų121.885%0.84663%0.632SS**THydrogen-bonded Turntrans-86.8-17.4176.117.70000115.1P77P77-S79 PolarHBondContact O-N 2.91Å
80A47.3Very low52.4Low69 Ų69118.2 Ų118.257%0.5761%0.613SS**THydrogen-bonded Turntrans-102.8-9.8174.500000112.7P77 E82P77-A80 HydrophobicContact CG-CB 3.87Å; P77-A80 PolarHBondContact O-N 2.89Å; A80-E82 PolarHBondContact O-N 3.08Å; A80-E82 VanDerWaalsContact O-N 3.16Å
81R47.8Very low52.3Low131 Ų131109.7 Ų109.749%0.49458%0.584SS.*SBendtrans-67.3108161.3-175.2168.6-173.9166.8-0.2107P77 N84P77-R81 PolarHBondContact O-N 3.44Å; R81-N84 PolarHBondContact NE-OD1 3.34Å; R81-N84 PolarHBondContact NH2-ND2 3.36Å
82E47.2Very low51.9Low168 Ų168115 Ų11579%0.78559%0.59SS**  trans-45.1134.3160.5-66.1-170155.100107.3A80 N84A80-E82 PolarHBondContact O-N 3.08Å; A80-E82 VanDerWaalsContact O-N 3.16Å; E82-N84 PolarHBondContact O-N 3.03Å
83P56.5Low51.4Low84 Ų84110.9 Ų110.955%0.54557%0.573SS.*  trans-56.3124.7-17925.9-34.4000107I85P83-I85 HydrophobicContact CB-CD1 4.18Å; P83-I85 HydrophobicContact CB-CG1 3.84Å; P83-I85 HydrophobicContact CG-CD1 3.71Å; P83-I85 HydrophobicContact CG-CG1 3.9Å; P83-I85 PolarHBondContact O-N 2.97Å
84N48.3Very low51.1Low112 Ų112111.2 Ų111.260%0.59958%0.581SS**  trans-68.272.6172.1-86.829.7000107.3R81 E82 E86R81-N84 PolarHBondContact NE-OD1 3.34Å; R81-N84 PolarHBondContact NH2-ND2 3.36Å; E82-N84 PolarHBondContact O-N 3.03Å; N84-E86 PolarHBondContact O-N 3.09Å
85I54.9Low51.1Low31 Ų31107.8 Ų107.816%0.15956%0.559CS.*  trans-74.889.5172.3-59.8173.4000104.1P83 R87 L151 L154P83-I85 HydrophobicContact CB-CD1 4.18Å; P83-I85 HydrophobicContact CB-CG1 3.84Å; P83-I85 HydrophobicContact CG-CD1 3.71Å; P83-I85 HydrophobicContact CG-CG1 3.9Å; P83-I85 PolarHBondContact O-N 2.97Å; I85-R87 PolarHBondContact O-N 3.04Å; I85-L151 HydrophobicContact CD1-CG 3.91Å; I85-L151 HydrophobicContact CG2-CD1 4.34Å; I85-L151 HydrophobicContact CG2-CG 4.44Å; I85-L154 HydrophobicContact CB-CD1 4.5Å; I85-L154 HydrophobicContact CD1-CB 3.7Å; I85-L154 HydrophobicContact CD1-CD1 3.85Å; I85-L154 HydrophobicContact CD1-CG 4.43Å; I85-L154 HydrophobicContact CG1-CB 4.42Å; I85-L154 HydrophobicContact CG1-CD1 3.94Å; I85-L154 HydrophobicContact CG2-CD1 3.77Å
86E48.4Very low51.7Low103 Ų103102.8 Ų102.848%0.48153%0.525SS..  trans-57.1104.3175.7-71.6175.5156.400108.3N84 S88 R89N84-E86 PolarHBondContact O-N 3.09Å; E86-S88 PolarHBondContact O-N 3.39Å; E86-R89 HydrophobicContact CB-CB 3.72Å; E86-R89 PolarHBondContact O-N 2.89Å; E86-R89 WeakPolarHBondContact OE2-CD 3.45Å
87R49Very low53Low214 Ų214101.2 Ų101.281%0.80851%0.51SS*.THydrogen-bonded Turntrans-53.8-13.7166.4-62.2178.2178.7-178.6-1.4112.2I85I85-R87 PolarHBondContact O-N 3.04Å
88S51Low54.2Low118 Ų11897.2 Ų97.283%0.82548%0.484SS*.THydrogen-bonded Turntrans-93.6-15.3178.1-39.90000114.8E86 L90E86-S88 PolarHBondContact O-N 3.39Å; S88-L90 PolarHBondContact O-N 3.15Å
89R52.6Low55.8Low158 Ų15888.4 Ų88.460%0.59645%0.453SS*.SBendtrans-94.520.3177.5-164.6168.9175.4162.5-1.4112.2E86E86-R89 HydrophobicContact CB-CB 3.72Å; E86-R89 PolarHBondContact O-N 2.89Å; E86-R89 WeakPolarHBondContact OE2-CD 3.45Å
90L54Low57.3Low22 Ų2282.7 Ų82.712%0.11541%0.412CS..SBendtrans-109.7108.2-178.4-59.4178.8000106.8S88 R92 Y96 L147 L150 I170S88-L90 PolarHBondContact O-N 3.15Å; L90-R92 PolarHBondContact O-N 3.31Å; L90-Y96 HydrophobicContact CB-CE1 4.34Å; L90-L147 HydrophobicContact CB-CD2 3.77Å; L90-L147 HydrophobicContact CD1-CD2 3.48Å; L90-L147 VanDerWaalsContact CD1-CD2 3.48Å; L90-L147 HydrophobicContact CG-CD2 4.17Å; L90-L150 HydrophobicContact CD2-CD2 3.37Å; L90-I170 HydrophobicContact CD2-CD1 3.99Å; L90-I170 HydrophobicContact CD2-CG2 4.33Å
91P54.5Low59Low33 Ų3379.6 Ų79.621%0.21439%0.387CS..  trans-58.6116.8173.726.3-36.1000108.2S93 Y96 D172 Q173P91-S93 PolarHBondContact O-N 3.48Å; P91-Y96 WeakPolarHBondContact O-CE1 3.3Å; P91-D172 WeakPolarHBondContact CG-OD1 3.31Å; P91-Q173 HydrophobicContact CG-CG 3.88Å
92R50Low60.6Low208 Ų20876.1 Ų76.179%0.78538%0.379SS*.SBendtrans-73.431.3-173.4-162.770.4175.6-171.12.1113.1L90L90-R92 PolarHBondContact O-N 3.31Å
93S45.9Very low62.1Low50 Ų5068.3 Ų68.335%0.3534%0.342SS..SBendtrans-130.4132.1175.252.80000108.4P91 Q173P91-S93 PolarHBondContact O-N 3.48Å; S93-Q173 PolarHBondContact O-NE2 2.94Å
94P51.9Low63.1Low98 Ų9864.4 Ų64.464%0.63632%0.317SS*.SBendtrans-61.2144.3176.528.3-34.8000110
95P56Low64.2Low30 Ų3063.8 Ų63.820%0.19531%0.307CS..  cis-113.8152.88.240.5-32.3000115T97 E143 Q173P95-T97 PolarHBondContact O-N 3.35Å; P95-E143 HydrophobicContact CB-CG 3.36Å; P95-E143 VanDerWaalsContact CB-OE1 3.27Å; P95-E143 WeakPolarHBondContact CB-OE1 3.35Å; P95-E143 HydrophobicContact CG-CG 3.57Å; P95-E143 WeakPolarHBondContact CG-OE1 3.32Å; P95-Q173 PolarHBondContact O-NE2 3.42Å
96Y66.1Low65Low22 Ų2268.7 Ų68.79%0.08633%0.333CS..EExtended strand (participates in β ladder)trans-83.693.9-178.9-55.3-75.6000111.4L90 P91 F144 D145 L147L90-Y96 HydrophobicContact CB-CE1 4.34Å; P91-Y96 WeakPolarHBondContact O-CE1 3.3Å; Y96-F144 WeakPolarHBondContact CA-O 3.41Å; Y96-F144 WeakPolarHBondContact CB-O 3.18Å; Y96-F144 WeakPolarHBondContact CD2-O 3.46Å; Y96-F144 PolarHBondContact N-O 3.4Å; Y96-F144 PolarHBondContact O-N 2.92Å; Y96-D145 WeakPolarHBondContact CE2-O 3.45Å; Y96-L147 HydrophobicContact CD1-CD2 3.99Å; Y96-L147 HydrophobicContact CE1-CD2 3.28Å; Y96-L147 HydrophobicContact CE1-CG 4.05Å; Y96-L147 HydrophobicContact CE2-CD2 4.05Å; Y96-L147 HydrophobicContact CE2-CG 3.89Å; Y96-L147 WeakPolarHBondContact OH-CD2 3.5Å
97T74.9Confident66.3Low25 Ų2564.1 Ų64.115%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-76.3132.1175.8530000112.3P95 E143 A171P95-T97 PolarHBondContact O-N 3.35Å; T97-E143 HydrophobicContact CG2-CB 4.1Å; T97-E143 HydrophobicContact CG2-CG 4Å; T97-A171 CarbonylContact O-C 3.53Å; T97-A171 WeakPolarHBondContact O-CA 3.39Å; T97-A171 WeakPolarHBondContact O-CB 3.24Å; T97-A171 PolarHBondContact O-N 3.48Å; T97-A171 WeakPolarHBondContact OG1-CB 3.37Å; T97-A171 PolarHBondContact OG1-O 3.42Å
98A80.6Confident67.7Low0 Ų056.3 Ų56.30%029%0.289CS..EExtended strand (participates in β ladder)trans-105.5136.1165.600000109.6Y141 A142 F144 L150 V168 D169A98-Y141 WeakPolarHBondContact O-CA 3.48Å; A98-A142 PolarHBondContact N-O 3.06Å; A98-A142 PolarHBondContact O-N 2.77Å; A98-F144 HydrophobicContact CB-CD2 4.05Å; A98-F144 HydrophobicContact CB-CE2 3.64Å; A98-L150 HydrophobicContact CB-CD1 3.73Å; A98-V168 HydrophobicContact CB-CG1 4.04Å; A98-D169 CarbonylContact C-O 3.53Å; A98-D169 WeakPolarHBondContact CA-O 3.39Å
99F83.6Confident69.1Low59 Ų5954.5 Ų54.526%0.25927%0.267SS..EExtended strand (participates in β ladder)trans-83.6122.2169.2179.8-112.7000110.1F139 Y141 V168 D169 A171F99-F139 HydrophobicContact CE1-CD1 4.13Å; F99-F139 HydrophobicContact CE1-CE1 4.49Å; F99-F139 HydrophobicContact CE2-CB 4.15Å; F99-F139 AromaticContact CE2-CD1 4Å; F99-F139 HydrophobicContact CE2-CD1 4Å; F99-F139 HydrophobicContact CE2-CG 4.39Å; F99-F139 HydrophobicContact CZ-CB 4.36Å; F99-F139 AromaticContact CZ-CD1 3.34Å; F99-F139 HydrophobicContact CZ-CD1 3.34Å; F99-F139 AromaticContact CZ-CE1 3.94Å; F99-F139 HydrophobicContact CZ-CE1 3.94Å; F99-F139 HydrophobicContact CZ-CG 4.12Å; F99-Y141 HydrophobicContact CD2-CD1 4.06Å; F99-Y141 AromaticContact CD2-CE1 3.64Å; F99-Y141 HydrophobicContact CD2-CE1 3.64Å; F99-Y141 HydrophobicContact CE2-CE1 4.27Å; F99-V168 WeakPolarHBondContact O-CA 3.48Å; F99-D169 HydrophobicContact CB-CB 4.39Å; F99-D169 HydrophobicContact CD1-CB 4.41Å; F99-D169 PolarHBondContact N-O 3.44Å; F99-D169 PolarHBondContact O-N 2.98Å; F99-A171 HydrophobicContact CB-CB 4.18Å
100L82.6Confident70.5Confident1 Ų153.4 Ų53.41%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-100.899.1174.2-52.1-178.3000109.2L103 I112 F116 F139 G140 A142 I166 R167 V168L100-L103 HydrophobicContact CB-CD1 3.93Å; L100-L103 HydrophobicContact CB-CD2 4.08Å; L100-L103 HydrophobicContact CB-CG 4.03Å; L100-L103 HydrophobicContact CD1-CD1 4.36Å; L100-L103 HydrophobicContact CD1-CD2 4.46Å; L100-I112 HydrophobicContact CD1-CD1 3.96Å; L100-I112 HydrophobicContact CD1-CG1 4.31Å; L100-I112 HydrophobicContact CD1-CG2 4.04Å; L100-F116 HydrophobicContact CD1-CE2 3.97Å; L100-F116 HydrophobicContact CD1-CZ 4.5Å; L100-F116 HydrophobicContact CD2-CE2 3.93Å; L100-F116 HydrophobicContact CD2-CZ 3.65Å; L100-F139 CarbonylContact O-C 3.59Å; L100-F139 VanDerWaalsContact O-CA 3.29Å; L100-F139 WeakPolarHBondContact O-CA 3.42Å; L100-G140 WeakPolarHBondContact CA-O 3.34Å; L100-G140 WeakPolarHBondContact CB-O 3.47Å; L100-G140 PolarHBondContact N-O 2.84Å; L100-G140 PolarHBondContact O-N 2.8Å; L100-A142 HydrophobicContact CD1-CB 3.89Å; L100-A142 HydrophobicContact CD2-CB 4.48Å; L100-A142 HydrophobicContact CG-CB 4.22Å; L100-I166 HydrophobicContact CB-CG2 4.49Å; L100-R167 CarbonylContact C-O 3.58Å; L100-V168 HydrophobicContact CD2-CB 4.47Å; L100-V168 HydrophobicContact CD2-CG1 4.16Å; L100-V168 HydrophobicContact CD2-CG2 3.91Å
101G83Confident71.8Confident4 Ų454.2 Ų54.24%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-89.9152.5174.100000113.6L103 R167G101-L103 VanDerWaalsContact C-N 3.29Å; G101-L103 PolarHBondContact O-N 2.94Å; G101-R167 PolarHBondContact N-O 2.92Å; G101-R167 PolarHBondContact O-N 3.15Å
102N81.8Confident73Confident59 Ų5952.8 Ų52.832%0.31627%0.267SS..SBendtrans62.230.1176-164.646.4000114.7G138 R164 R165N102-G138 WeakPolarHBondContact CA-O 3.45Å; N102-G138 PolarHBondContact N-O 3Å; N102-R164 PolarHBondContact OD1-NE 3.23Å; N102-R164 PolarHBondContact OD1-NH2 3.43Å; N102-R165 PolarHBondContact ND2-O 3.04Å
103L78.3Confident74.4Confident3 Ų347.4 Ų47.42%0.01625%0.249CC..  trans-59.3141.4172-67178.6000110.9L100 G101 V107 I112 L126 G138 R164 I166L100-L103 HydrophobicContact CB-CD1 3.93Å; L100-L103 HydrophobicContact CB-CD2 4.08Å; L100-L103 HydrophobicContact CB-CG 4.03Å; L100-L103 HydrophobicContact CD1-CD1 4.36Å; L100-L103 HydrophobicContact CD1-CD2 4.46Å; G101-L103 VanDerWaalsContact C-N 3.29Å; G101-L103 PolarHBondContact O-N 2.94Å; L103-V107 HydrophobicContact CD2-CG1 4.44Å; L103-I112 HydrophobicContact CD1-CD1 4.06Å; L103-L126 HydrophobicContact CD1-CD2 3.76Å; L103-G138 PolarHBondContact N-O 3.22Å; L103-G138 WeakPolarHBondContact O-CA 3.39Å; L103-R164 PolarHBondContact O-NH1 3.48Å; L103-I166 HydrophobicContact CD2-CD1 3.57Å; L103-I166 HydrophobicContact CD2-CG1 3.9Å; L103-I166 HydrophobicContact CD2-CG2 4.02Å
104P76.8Confident76.1Confident3 Ų350.3 Ų50.32%0.01926%0.261CS..  trans-57.4160.7165.8-19.228.1000112.8D106 V107 L161 R164P104-D106 PolarHBondContact O-N 2.94Å; P104-V107 HydrophobicContact CB-CG2 3.93Å; P104-V107 HydrophobicContact CG-CG2 3.66Å; P104-L161 HydrophobicContact CG-CB 3.94Å; P104-L161 WeakPolarHBondContact CG-O 3.41Å; P104-R164 HydrophobicContact CG-CB 4.28Å
105Y71.6Confident77.2Confident99 Ų9946.4 Ų46.439%0.38823%0.234SC..THydrogen-bonded Turntrans-74.6-16.1173.8-59.2-70.4000112.7R135 L136Y105-R135 HydrophobicContact CD1-CG 4.33Å; Y105-R135 HydrophobicContact CE1-CG 4.26Å; Y105-L136 HydrophobicContact CD1-CB 4.48Å; Y105-L136 WeakPolarHBondContact CD1-O 3.48Å; Y105-L136 WeakPolarHBondContact CE1-O 3.34Å; Y105-L136 WeakPolarHBondContact O-CD1 3.27Å; Y105-L136 VanDerWaalsContact O-CG 3.26Å; Y105-L136 WeakPolarHBondContact O-CG 3.41Å
106D71.6Confident77.9Confident133 Ų13345.1 Ų45.171%0.71123%0.225SC*.THydrogen-bonded Turntrans-96.83.9-176.5-42.4-61.2000113.3P104 T108P104-D106 PolarHBondContact O-N 2.94Å; D106-T108 PolarHBondContact O-N 2.62Å
107V77.4Confident78.2Confident8 Ų854 Ų545%0.04826%0.258CS..  trans-84.1115.2-175.11620000111.9L103 P104 I112 L136 L161L103-V107 HydrophobicContact CD2-CG1 4.44Å; P104-V107 HydrophobicContact CB-CG2 3.93Å; P104-V107 HydrophobicContact CG-CG2 3.66Å; V107-I112 HydrophobicContact CG1-CD1 3.69Å; V107-I112 HydrophobicContact CG1-CG1 3.6Å; V107-L136 WeakPolarHBondContact O-CD1 3.41Å; V107-L161 HydrophobicContact CB-CD1 4.48Å; V107-L161 HydrophobicContact CG1-CD1 4.01Å; V107-L161 HydrophobicContact CG2-CB 3.76Å; V107-L161 HydrophobicContact CG2-CD1 3.55Å; V107-L161 HydrophobicContact CG2-CG 4.28Å
108T77.9Confident77.6Confident50 Ų5056.7 Ų56.731%0.30729%0.291SS..  trans-84167.8170.165.20000111.3D106 E110 S111 I112D106-T108 PolarHBondContact O-N 2.62Å; T108-E110 PolarHBondContact O-N 2.95Å; T108-E110 PolarHBondContact OG1-N 3.48Å; T108-S111 PolarHBondContact O-N 3.14Å; T108-S111 PolarHBondContact OG1-N 3.48Å; T108-S111 PolarHBondContact OG1-OG 3.24Å; T108-I112 PolarHBondContact O-N 3.12Å
109E79.9Confident77.3Confident79 Ų7957.9 Ų57.937%0.36930%0.298SS..Hα-helixtrans-57.6-33168.9170.2174.6177.300112I112 K113 V124 L126E109-I112 PolarHBondContact O-N 3.12Å; E109-K113 HydrophobicContact CG-CD 4.15Å; E109-K113 WeakPolarHBondContact O-CG 3.3Å; E109-K113 PolarHBondContact O-N 3.3Å; E109-K113 WeakPolarHBondContact OE1-CE 3.2Å; E109-K113 IonicContact OE1-NZ 2.68Å; E109-K113 PolarHBondContact OE1-NZ 3.29Å; E109-V124 HydrophobicContact CG-CB 3.95Å; E109-V124 HydrophobicContact CG-CG1 4.5Å; E109-V124 HydrophobicContact CG-CG2 4.21Å; E109-L126 HydrophobicContact CB-CD1 4.14Å
110E81.4Confident76.7Confident136 Ų13657.1 Ų57.164%0.63630%0.302SS*.Hα-helixtrans-64.5-46.8176.3-59.5166.6168.400111T108 I112 K113 D114T108-E110 PolarHBondContact O-N 2.95Å; T108-E110 PolarHBondContact OG1-N 3.48Å; E110-I112 PolarHBondContact O-N 3.43Å; E110-K113 CarbonylContact O-C 3.28Å; E110-K113 WeakPolarHBondContact O-CA 3.29Å; E110-K113 WeakPolarHBondContact O-CB 3.44Å; E110-K113 PolarHBondContact O-N 3.01Å; E110-D114 PolarHBondContact O-N 2.81Å
111S82.6Confident76.2Confident38 Ų3858.9 Ų58.927%0.26631%0.311SS..Hα-helixtrans-60.9-29.1175.9-50.10000112.9T108 F115T108-S111 PolarHBondContact O-N 3.14Å; T108-S111 PolarHBondContact OG1-N 3.48Å; T108-S111 PolarHBondContact OG1-OG 3.24Å; S111-F115 WeakPolarHBondContact O-CB 3.27Å; S111-F115 PolarHBondContact O-N 3.49Å
112I78.7Confident75.8Confident3 Ų361.6 Ų61.62%0.01533%0.329CS..Hα-helixtrans-75.2-38.7174.2-71.1168000110.9L100 L103 V107 T108 E109 E110 F115 F116 V124 L126L100-I112 HydrophobicContact CD1-CD1 3.96Å; L100-I112 HydrophobicContact CD1-CG1 4.31Å; L100-I112 HydrophobicContact CD1-CG2 4.04Å; L103-I112 HydrophobicContact CD1-CD1 4.06Å; V107-I112 HydrophobicContact CG1-CD1 3.69Å; V107-I112 HydrophobicContact CG1-CG1 3.6Å; T108-I112 PolarHBondContact O-N 3.12Å; E109-I112 PolarHBondContact O-N 3.12Å; E110-I112 PolarHBondContact O-N 3.43Å; I112-F115 PolarHBondContact O-N 3.44Å; I112-F116 HydrophobicContact CG2-CD2 3.6Å; I112-F116 HydrophobicContact CG2-CE2 3.73Å; I112-F116 WeakPolarHBondContact O-CB 3.4Å; I112-F116 VanDerWaalsContact O-CD2 3.24Å; I112-F116 WeakPolarHBondContact O-CD2 3.5Å; I112-F116 PolarHBondContact O-N 2.8Å; I112-V124 HydrophobicContact CB-CG1 4.34Å; I112-V124 HydrophobicContact CD1-CG1 3.85Å; I112-V124 HydrophobicContact CG2-CG1 3.93Å; I112-V124 HydrophobicContact CG2-CG2 3.95Å; I112-L126 HydrophobicContact CD1-CD1 4.09Å; I112-L126 HydrophobicContact CD1-CD2 3.83Å; I112-L126 HydrophobicContact CD1-CG 4.32Å
113K80.5Confident75.3Confident95 Ų9560.6 Ų60.641%0.41333%0.329SS..Hα-helixtrans-64.2-40.3172.5-72.4167.2179.7172.80112.1E109 E110 F116 R117 I121E109-K113 HydrophobicContact CG-CD 4.15Å; E109-K113 WeakPolarHBondContact O-CG 3.3Å; E109-K113 PolarHBondContact O-N 3.3Å; E109-K113 WeakPolarHBondContact OE1-CE 3.2Å; E109-K113 IonicContact OE1-NZ 2.68Å; E109-K113 PolarHBondContact OE1-NZ 3.29Å; E110-K113 CarbonylContact O-C 3.28Å; E110-K113 WeakPolarHBondContact O-CA 3.29Å; E110-K113 WeakPolarHBondContact O-CB 3.44Å; E110-K113 PolarHBondContact O-N 3.01Å; K113-F116 CarbonylContact O-C 3.59Å; K113-F116 VanDerWaalsContact O-C 3.29Å; K113-F116 PolarHBondContact O-N 3.12Å; K113-R117 PolarHBondContact O-N 3.38Å; K113-I121 HydrophobicContact CB-CD1 4.39Å; K113-I121 HydrophobicContact CG-CD1 4.02Å
114D81.1Confident75.4Confident112 Ų11261.1 Ų61.160%0.59933%0.333SS*.Hα-helixtrans-68.7-39.4176.4-70.7-28.3000112.3E110 R117E110-D114 PolarHBondContact O-N 2.81Å; D114-R117 VanDerWaalsContact O-CB 3.31Å; D114-R117 WeakPolarHBondContact O-CB 3.41Å; D114-R117 VanDerWaalsContact O-CD 3.24Å; D114-R117 WeakPolarHBondContact O-CD 3.42Å; D114-R117 WeakPolarHBondContact O-CG 3.43Å; D114-R117 PolarHBondContact O-N 3.22Å
115F74.1Confident75.3Confident15 Ų1569.8 Ų69.87%0.06637%0.365CS..Hα-helixtrans-63.1-43.7173.9-177.7-85.8000111.3S111 I112 R117 L156 E159 L161 I166S111-F115 WeakPolarHBondContact O-CB 3.27Å; S111-F115 PolarHBondContact O-N 3.49Å; I112-F115 PolarHBondContact O-N 3.44Å; F115-R117 VanDerWaalsContact C-N 3.27Å; F115-R117 PolarHBondContact O-N 3.31Å; F115-L156 HydrophobicContact CE1-CB 4.34Å; F115-E159 HydrophobicContact CD2-CG 4.19Å; F115-E159 HydrophobicContact CE2-CB 3.47Å; F115-E159 VanDerWaalsContact CE2-CB 3.47Å; F115-E159 HydrophobicContact CE2-CG 3.52Å; F115-E159 HydrophobicContact CZ-CB 3.73Å; F115-E159 HydrophobicContact CZ-CG 4.26Å; F115-L161 HydrophobicContact CB-CD1 4.48Å; F115-L161 HydrophobicContact CD2-CD1 4.24Å; F115-L161 HydrophobicContact CD2-CD2 3.85Å; F115-L161 HydrophobicContact CD2-CG 3.87Å; F115-L161 HydrophobicContact CE2-CG 4.34Å; F115-I166 HydrophobicContact CD2-CD1 4.31Å; F115-I166 HydrophobicContact CE2-CD1 3.9Å; F115-I166 HydrophobicContact CZ-CD1 4.14Å
116F70.9Confident75.5Confident3 Ų366.6 Ų66.61%0.01335%0.354CS..THydrogen-bonded Turntrans-91.127.9176.4-65-47.4000113.5L100 I112 K113 G118 L119 I121 A142 F144 A153 V168L100-F116 HydrophobicContact CD1-CE2 3.97Å; L100-F116 HydrophobicContact CD1-CZ 4.5Å; L100-F116 HydrophobicContact CD2-CE2 3.93Å; L100-F116 HydrophobicContact CD2-CZ 3.65Å; I112-F116 HydrophobicContact CG2-CD2 3.6Å; I112-F116 HydrophobicContact CG2-CE2 3.73Å; I112-F116 WeakPolarHBondContact O-CB 3.4Å; I112-F116 VanDerWaalsContact O-CD2 3.24Å; I112-F116 WeakPolarHBondContact O-CD2 3.5Å; I112-F116 PolarHBondContact O-N 2.8Å; K113-F116 CarbonylContact O-C 3.59Å; K113-F116 VanDerWaalsContact O-C 3.29Å; K113-F116 PolarHBondContact O-N 3.12Å; F116-G118 PolarHBondContact O-N 2.9Å; F116-G118 VanDerWaalsContact O-N 3.16Å; F116-L119 HydrophobicContact CB-CB 4.22Å; F116-L119 HydrophobicContact CB-CD1 3.87Å; F116-L119 HydrophobicContact CB-CG 4.1Å; F116-L119 HydrophobicContact CD1-CD1 3.34Å; F116-L119 HydrophobicContact CD1-CG 4.39Å; F116-L119 HydrophobicContact CE1-CD1 4.17Å; F116-L119 HydrophobicContact CG-CD1 3.9Å; F116-L119 WeakPolarHBondContact O-CB 3.49Å; F116-L119 WeakPolarHBondContact O-CG 3.49Å; F116-L119 PolarHBondContact O-N 3.08Å; F116-I121 HydrophobicContact CB-CD1 3.57Å; F116-I121 HydrophobicContact CB-CG1 4.1Å; F116-I121 HydrophobicContact CD2-CD1 4.23Å; F116-I121 HydrophobicContact CG-CD1 4.38Å; F116-A142 HydrophobicContact CE2-CB 4.01Å; F116-F144 HydrophobicContact CB-CE1 4.21Å; F116-F144 HydrophobicContact CD1-CE1 4.31Å; F116-F144 AromaticContact CD1-CZ 3.97Å; F116-F144 HydrophobicContact CD1-CZ 3.97Å; F116-F144 HydrophobicContact CD2-CE1 4.09Å; F116-F144 AromaticContact CD2-CZ 3.65Å; F116-F144 HydrophobicContact CD2-CZ 3.65Å; F116-F144 AromaticContact CE1-CZ 3.99Å; F116-F144 HydrophobicContact CE1-CZ 3.99Å; F116-F144 HydrophobicContact CE2-CE2 4.5Å; F116-F144 AromaticContact CE2-CZ 3.69Å; F116-F144 HydrophobicContact CE2-CZ 3.69Å; F116-F144 AromaticContact CG-CE1 3.96Å; F116-F144 HydrophobicContact CG-CE1 3.96Å; F116-F144 AromaticContact CG-CZ 3.8Å; F116-F144 HydrophobicContact CG-CZ 3.8Å; F116-F144 AromaticContact CZ-CZ 3.87Å; F116-F144 HydrophobicContact CZ-CZ 3.87Å; F116-A153 HydrophobicContact CD1-CB 4.16Å; F116-A153 HydrophobicContact CE1-CB 3.54Å; F116-A153 HydrophobicContact CZ-CB 4.22Å; F116-V168 HydrophobicContact CZ-CG2 4.4Å
117R72.5Confident75.7Confident208 Ų20863 Ų6379%0.78534%0.339SS*.THydrogen-bonded Turntrans-56.7120.8172.364.2-170.2174.6176-3.1110.4K113 D114 F115K113-R117 PolarHBondContact O-N 3.38Å; D114-R117 VanDerWaalsContact O-CB 3.31Å; D114-R117 WeakPolarHBondContact O-CB 3.41Å; D114-R117 VanDerWaalsContact O-CD 3.24Å; D114-R117 WeakPolarHBondContact O-CD 3.42Å; D114-R117 WeakPolarHBondContact O-CG 3.43Å; D114-R117 PolarHBondContact O-N 3.22Å; F115-R117 VanDerWaalsContact C-N 3.27Å; F115-R117 PolarHBondContact O-N 3.31Å
118G63.1Low75.2Confident82 Ų8268.7 Ų68.785%0.84536%0.359SS*.THydrogen-bonded Turntrans95.35-174.800000115.1F116F116-G118 PolarHBondContact O-N 2.9Å; F116-G118 VanDerWaalsContact O-N 3.16Å
119L73.1Confident74.4Confident25 Ų2568 Ų6813%0.13135%0.353CS..SBendtrans-113146.4172.7-43.2-170.4000110.3F116 I121 F144 S149 R152 A153F116-L119 HydrophobicContact CB-CB 4.22Å; F116-L119 HydrophobicContact CB-CD1 3.87Å; F116-L119 HydrophobicContact CB-CG 4.1Å; F116-L119 HydrophobicContact CD1-CD1 3.34Å; F116-L119 HydrophobicContact CD1-CG 4.39Å; F116-L119 HydrophobicContact CE1-CD1 4.17Å; F116-L119 HydrophobicContact CG-CD1 3.9Å; F116-L119 WeakPolarHBondContact O-CB 3.49Å; F116-L119 WeakPolarHBondContact O-CG 3.49Å; F116-L119 PolarHBondContact O-N 3.08Å; L119-I121 PolarHBondContact O-N 3.44Å; L119-F144 HydrophobicContact CB-CD1 4.12Å; L119-F144 HydrophobicContact CB-CE1 3.84Å; L119-F144 HydrophobicContact CD1-CE1 3.8Å; L119-F144 HydrophobicContact CD1-CZ 4.27Å; L119-F144 HydrophobicContact CG-CE1 4.49Å; L119-S149 WeakPolarHBondContact CA-OG 3.48Å; L119-S149 WeakPolarHBondContact CD1-O 3.37Å; L119-R152 HydrophobicContact CD2-CB 3.65Å; L119-R152 HydrophobicContact CD2-CG 3.72Å; L119-A153 HydrophobicContact CD1-CB 3.93Å
120A72.3Confident73.2Confident43 Ų4370.6 Ų70.636%0.35538%0.376SS..  trans-83.494.9178.500000110.8F144 D145 D146 S149A120-F144 CarbonylContact O-C 3.41Å; A120-F144 WeakPolarHBondContact O-CA 3.49Å; A120-F144 WeakPolarHBondContact O-CB 3.36Å; A120-D145 HydrophobicContact CB-CB 4.25Å; A120-D145 PolarHBondContact O-N 3.45Å; A120-D146 HydrophobicContact CB-CB 4.21Å; A120-S149 PolarHBondContact N-OG 3.1Å
121I72.2Confident71.9Confident39 Ų3968.7 Ų68.720%0.238%0.378CS..EExtended strand (participates in β ladder)trans-91.7119.2177-49.5165.2000109.4K113 F116 L119 V124 E143 F144K113-I121 HydrophobicContact CB-CD1 4.39Å; K113-I121 HydrophobicContact CG-CD1 4.02Å; F116-I121 HydrophobicContact CB-CD1 3.57Å; F116-I121 HydrophobicContact CB-CG1 4.1Å; F116-I121 HydrophobicContact CD2-CD1 4.23Å; F116-I121 HydrophobicContact CG-CD1 4.38Å; L119-I121 PolarHBondContact O-N 3.44Å; I121-V124 HydrophobicContact CG2-CG2 3.64Å; I121-E143 CarbonylContact C-O 3.42Å; I121-E143 WeakPolarHBondContact CA-O 3.45Å; I121-E143 WeakPolarHBondContact CG2-O 3.3Å; I121-F144 HydrophobicContact CG1-CD1 3.98Å; I121-F144 HydrophobicContact CG1-CE1 3.67Å
122S73.2Confident70.7Confident60 Ų6071 Ų7142%0.4239%0.387SS..EExtended strand (participates in β ladder)trans-77-53.7172.1164.90000110.9E143S122-E143 VanDerWaalsContact CB-OE1 3.28Å; S122-E143 WeakPolarHBondContact CB-OE1 3.28Å; S122-E143 PolarHBondContact N-O 2.78Å; S122-E143 PolarHBondContact OG-OE1 2.92Å
123A73.1Confident69.9Low38 Ų3875.7 Ų75.731%0.31442%0.418SS..EExtended strand (participates in β ladder)trans-150.9139.8-175.500000112.9E143A123-E143 HydrophobicContact CB-CB 4.09Å; A123-E143 PolarHBondContact N-O 3.11Å; A123-E143 WeakPolarHBondContact O-CA 3.42Å; A123-E143 WeakPolarHBondContact O-CB 3.39Å; A123-E143 PolarHBondContact O-N 3.27Å
124V78.8Confident68.8Low14 Ų1479.6 Ų79.69%0.08544%0.438CS..EExtended strand (participates in β ladder)trans-108.295.7173.1-173.90000109.4E109 I112 I121 L126 Y141E109-V124 HydrophobicContact CG-CB 3.95Å; E109-V124 HydrophobicContact CG-CG1 4.5Å; E109-V124 HydrophobicContact CG-CG2 4.21Å; I112-V124 HydrophobicContact CB-CG1 4.34Å; I112-V124 HydrophobicContact CD1-CG1 3.85Å; I112-V124 HydrophobicContact CG2-CG1 3.93Å; I112-V124 HydrophobicContact CG2-CG2 3.95Å; I121-V124 HydrophobicContact CG2-CG2 3.64Å; V124-L126 HydrophobicContact CG1-CD1 3.77Å; V124-L126 HydrophobicContact CG1-CG 3.92Å; V124-L126 PolarHBondContact O-N 3.09Å; V124-Y141 CarbonylContact C-O 3.29Å
125R75.7Confident67.8Low185 Ų18580 Ų8070%0.69843%0.431SS*.EExtended strand (participates in β ladder)trans-85.1101.2176.9-172.1176.8-176.292.5-4109.5P127 Y141R125-P127 VanDerWaalsContact O-CD 3.28Å; R125-P127 WeakPolarHBondContact O-CD 3.34Å; R125-Y141 PolarHBondContact N-O 3.07Å; R125-Y141 PolarHBondContact O-N 2.81Å
126L76.3Confident67.4Low32 Ų3280 Ų8017%0.16843%0.431CS..  trans-102.398.9174-72.7148.9000110.5L103 E109 I112 V124 R128L103-L126 HydrophobicContact CD1-CD2 3.76Å; E109-L126 HydrophobicContact CB-CD1 4.14Å; I112-L126 HydrophobicContact CD1-CD1 4.09Å; I112-L126 HydrophobicContact CD1-CD2 3.83Å; I112-L126 HydrophobicContact CD1-CG 4.32Å; V124-L126 HydrophobicContact CG1-CD1 3.77Å; V124-L126 HydrophobicContact CG1-CG 3.92Å; V124-L126 PolarHBondContact O-N 3.09Å; L126-R128 PolarHBondContact O-N 3.19Å
127P74.5Confident67.1Low59 Ų5984.9 Ų84.938%0.38345%0.452SS..  trans-66.295.4171.5-17.732.3000110R125 K137 Y141R125-P127 VanDerWaalsContact O-CD 3.28Å; R125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-K137 VanDerWaalsContact O-CB 3.31Å; P127-K137 WeakPolarHBondContact O-CB 3.46Å; P127-Y141 HydrophobicContact CG-CD2 4.27Å; P127-Y141 HydrophobicContact CG-CE2 4.06Å
128R68.3Low66.9Low126 Ų12675.1 Ų75.148%0.47542%0.417SS..BIsolated β-bridgetrans-70151.8171.1-56.9-163.4171.1171.2-3.8109.6L126 P130 L136L126-R128 PolarHBondContact O-N 3.19Å; R128-P130 VanDerWaalsContact O-CD 3.31Å; R128-P130 WeakPolarHBondContact O-CD 3.15Å; R128-L136 HydrophobicContact CB-CD2 4.38Å; R128-L136 HydrophobicContact CG-CD2 3.61Å
129E59.8Low67.6Low37 Ų3776 Ų7617%0.17340%0.398CS..  trans-66.2116.1176.1-177.5144.6-112.600108.8S131 N132 R135 K137E129-S131 PolarHBondContact O-N 3.49Å; E129-N132 CarbonylContact O-C 3.51Å; E129-N132 VanDerWaalsContact O-C 3.28Å; E129-N132 PolarHBondContact O-N 3.15Å; E129-N132 VanDerWaalsContact O-O 3.11Å; E129-R135 WeakPolarHBondContact CB-O 3.47Å; E129-R135 PolarHBondContact N-O 3.49Å; E129-R135 IonicContact OE2-NH1 3.26Å; E129-R135 PolarHBondContact OE2-NH1 2.91Å; E129-R135 VanDerWaalsContact OE2-NH1 3.11Å; E129-K137 IonicContact OE1-NZ 3.79Å; E129-K137 PolarHBondContact OE1-NZ 2.9Å; E129-K137 VanDerWaalsContact OE1-NZ 3.08Å
130P55.3Low68Low132 Ų13274.9 Ų74.986%0.85739%0.391SS*.THydrogen-bonded Turntrans-66.3-12.1-174.327.7-35.8000112.8R128R128-P130 VanDerWaalsContact O-CD 3.31Å; R128-P130 WeakPolarHBondContact O-CD 3.15Å
131S54.2Low68.4Low96 Ų9677 Ų7767%0.67139%0.391SS*.THydrogen-bonded Turntrans-87.8-19.9174.3-52.50000114.1E129E129-S131 PolarHBondContact O-N 3.49Å
132N56.9Low68.9Low87 Ų8775.2 Ų75.247%0.46538%0.381SS..  trans-152.9104.8179.8-74-70.1000110.1E129 E134 R135E129-N132 CarbonylContact O-C 3.51Å; E129-N132 VanDerWaalsContact O-C 3.28Å; E129-N132 PolarHBondContact O-N 3.15Å; E129-N132 VanDerWaalsContact O-O 3.11Å; N132-E134 PolarHBondContact O-N 3.06Å; N132-R135 HydrophobicContact CB-CB 3.84Å; N132-R135 PolarHBondContact O-N 2.8Å
133P62Low69.4Low101 Ų10174.9 Ų74.966%0.65637%0.373SS*.THydrogen-bonded Turntrans-66-22-178.227.4-35000113.5R135P133-R135 VanDerWaalsContact C-N 3.3Å
134E57.6Low69.7Low178 Ų17873 Ų7383%0.83236%0.358SS*.THydrogen-bonded Turntrans-75.4-16.8174-168.7172.8-174.800112.7N132N132-E134 PolarHBondContact O-N 3.06Å
135R59.8Low69.8Low120 Ų12076.6 Ų76.645%0.45338%0.377SS..SBendtrans-108.484.8-177.7-160.2167.1-172.4-80.1-8.2111Y105 E129 N132 P133Y105-R135 HydrophobicContact CD1-CG 4.33Å; Y105-R135 HydrophobicContact CE1-CG 4.26Å; E129-R135 WeakPolarHBondContact CB-O 3.47Å; E129-R135 PolarHBondContact N-O 3.49Å; E129-R135 IonicContact OE2-NH1 3.26Å; E129-R135 PolarHBondContact OE2-NH1 2.91Å; E129-R135 VanDerWaalsContact OE2-NH1 3.11Å; N132-R135 HydrophobicContact CB-CB 3.84Å; N132-R135 PolarHBondContact O-N 2.8Å; P133-R135 VanDerWaalsContact C-N 3.3Å
136L66.3Low70Confident14 Ų1470.4 Ų70.47%0.07336%0.358CS..BIsolated β-bridgetrans-57.4148.1173.4-54.1-177.8000110.8Y105 V107 R128 G138Y105-L136 HydrophobicContact CD1-CB 4.48Å; Y105-L136 WeakPolarHBondContact CD1-O 3.48Å; Y105-L136 WeakPolarHBondContact CE1-O 3.34Å; Y105-L136 WeakPolarHBondContact O-CD1 3.27Å; Y105-L136 VanDerWaalsContact O-CG 3.26Å; Y105-L136 WeakPolarHBondContact O-CG 3.41Å; V107-L136 WeakPolarHBondContact O-CD1 3.41Å; R128-L136 HydrophobicContact CB-CD2 4.38Å; R128-L136 HydrophobicContact CG-CD2 3.61Å; L136-G138 PolarHBondContact O-N 2.89Å
137K63.4Low70Confident106 Ų10670.9 Ų70.946%0.46136%0.36SS..  trans-66.6-9.6-178.8-149.774.8178.2179.20113.5P127 E129 F139P127-K137 VanDerWaalsContact O-CB 3.31Å; P127-K137 WeakPolarHBondContact O-CB 3.46Å; E129-K137 IonicContact OE1-NZ 3.79Å; E129-K137 PolarHBondContact OE1-NZ 2.9Å; E129-K137 VanDerWaalsContact OE1-NZ 3.08Å; K137-F139 HydrophobicContact CB-CD2 4.37Å; K137-F139 HydrophobicContact CG-CD2 4.06Å; K137-F139 WeakPolarHBondContact O-CD2 3.43Å; K137-F139 WeakPolarHBondContact O-CE2 3.27Å; K137-F139 PolarHBondContact O-N 3.08Å
138G69.8Low70.2Confident3 Ų375.4 Ų75.43%0.03138%0.376CS..SBendtrans71.214.3-169.900000113.3N102 L103 L136N102-G138 WeakPolarHBondContact CA-O 3.45Å; N102-G138 PolarHBondContact N-O 3Å; L103-G138 PolarHBondContact N-O 3.22Å; L103-G138 WeakPolarHBondContact O-CA 3.39Å; L136-G138 PolarHBondContact O-N 2.89Å
139F77.3Confident70.7Confident102 Ų10269.6 Ų69.645%0.44736%0.355SS..EExtended strand (participates in β ladder)trans-137.4138.2179.6-57.6-71.3000108.8F99 L100 K137F99-F139 HydrophobicContact CE1-CD1 4.13Å; F99-F139 HydrophobicContact CE1-CE1 4.49Å; F99-F139 HydrophobicContact CE2-CB 4.15Å; F99-F139 AromaticContact CE2-CD1 4Å; F99-F139 HydrophobicContact CE2-CD1 4Å; F99-F139 HydrophobicContact CE2-CG 4.39Å; F99-F139 HydrophobicContact CZ-CB 4.36Å; F99-F139 AromaticContact CZ-CD1 3.34Å; F99-F139 HydrophobicContact CZ-CD1 3.34Å; F99-F139 AromaticContact CZ-CE1 3.94Å; F99-F139 HydrophobicContact CZ-CE1 3.94Å; F99-F139 HydrophobicContact CZ-CG 4.12Å; L100-F139 CarbonylContact O-C 3.59Å; L100-F139 VanDerWaalsContact O-CA 3.29Å; L100-F139 WeakPolarHBondContact O-CA 3.42Å; K137-F139 HydrophobicContact CB-CD2 4.37Å; K137-F139 HydrophobicContact CG-CD2 4.06Å; K137-F139 WeakPolarHBondContact O-CD2 3.43Å; K137-F139 WeakPolarHBondContact O-CE2 3.27Å; K137-F139 PolarHBondContact O-N 3.08Å
140G81.2Confident71.5Confident0 Ų067.9 Ų67.90%035%0.347CS..EExtended strand (participates in β ladder)trans-143.3163172.900000110.2L100L100-G140 WeakPolarHBondContact CA-O 3.34Å; L100-G140 WeakPolarHBondContact CB-O 3.47Å; L100-G140 PolarHBondContact N-O 2.84Å; L100-G140 PolarHBondContact O-N 2.8Å
141Y82Confident72.6Confident89 Ų8965 Ų6535%0.34932%0.324SS..EExtended strand (participates in β ladder)trans-114127.6168.2-54.6-88.6000107.2A98 F99 V124 R125 P127 A171A98-Y141 WeakPolarHBondContact O-CA 3.48Å; F99-Y141 HydrophobicContact CD2-CD1 4.06Å; F99-Y141 AromaticContact CD2-CE1 3.64Å; F99-Y141 HydrophobicContact CD2-CE1 3.64Å; F99-Y141 HydrophobicContact CE2-CE1 4.27Å; V124-Y141 CarbonylContact C-O 3.29Å; R125-Y141 PolarHBondContact N-O 3.07Å; R125-Y141 PolarHBondContact O-N 2.81Å; P127-Y141 HydrophobicContact CG-CD2 4.27Å; P127-Y141 HydrophobicContact CG-CE2 4.06Å; Y141-A171 HydrophobicContact CD1-CB 4.37Å
142A80.9Confident73.8Confident0 Ų068 Ų680%032%0.32CS..EExtended strand (participates in β ladder)trans-106.8118.2168.300000107.8A98 L100 F116 F144A98-A142 PolarHBondContact N-O 3.06Å; A98-A142 PolarHBondContact O-N 2.77Å; L100-A142 HydrophobicContact CD1-CB 3.89Å; L100-A142 HydrophobicContact CD2-CB 4.48Å; L100-A142 HydrophobicContact CG-CB 4.22Å; F116-A142 HydrophobicContact CE2-CB 4.01Å; A142-F144 HydrophobicContact CB-CD2 4.47Å; A142-F144 HydrophobicContact CB-CE2 3.71Å; A142-F144 HydrophobicContact CB-CZ 3.95Å; A142-F144 WeakPolarHBondContact O-CD2 3.49Å
143E83.6Confident74.7Confident53 Ų5363.9 Ų63.925%0.24830%0.298CS..EExtended strand (participates in β ladder)trans-89123.5177.4-172.8-173.7129.900108.6P95 T97 I121 S122 A123P95-E143 HydrophobicContact CB-CG 3.36Å; P95-E143 VanDerWaalsContact CB-OE1 3.27Å; P95-E143 WeakPolarHBondContact CB-OE1 3.35Å; P95-E143 HydrophobicContact CG-CG 3.57Å; P95-E143 WeakPolarHBondContact CG-OE1 3.32Å; T97-E143 HydrophobicContact CG2-CB 4.1Å; T97-E143 HydrophobicContact CG2-CG 4Å; I121-E143 CarbonylContact C-O 3.42Å; I121-E143 WeakPolarHBondContact CA-O 3.45Å; I121-E143 WeakPolarHBondContact CG2-O 3.3Å; S122-E143 VanDerWaalsContact CB-OE1 3.28Å; S122-E143 WeakPolarHBondContact CB-OE1 3.28Å; S122-E143 PolarHBondContact N-O 2.78Å; S122-E143 PolarHBondContact OG-OE1 2.92Å; A123-E143 HydrophobicContact CB-CB 4.09Å; A123-E143 PolarHBondContact N-O 3.11Å; A123-E143 WeakPolarHBondContact O-CA 3.42Å; A123-E143 WeakPolarHBondContact O-CB 3.39Å; A123-E143 PolarHBondContact O-N 3.27Å
144F79.7Confident75.4Confident0 Ų060 Ų600%027%0.272CS..EExtended strand (participates in β ladder)trans-113.7143.1178.7-62.3-85.8000110.9Y96 A98 F116 L119 A120 I121 A142 D146 A153Y96-F144 WeakPolarHBondContact CA-O 3.41Å; Y96-F144 WeakPolarHBondContact CB-O 3.18Å; Y96-F144 WeakPolarHBondContact CD2-O 3.46Å; Y96-F144 PolarHBondContact N-O 3.4Å; Y96-F144 PolarHBondContact O-N 2.92Å; A98-F144 HydrophobicContact CB-CD2 4.05Å; A98-F144 HydrophobicContact CB-CE2 3.64Å; F116-F144 HydrophobicContact CB-CE1 4.21Å; F116-F144 HydrophobicContact CD1-CE1 4.31Å; F116-F144 AromaticContact CD1-CZ 3.97Å; F116-F144 HydrophobicContact CD1-CZ 3.97Å; F116-F144 HydrophobicContact CD2-CE1 4.09Å; F116-F144 AromaticContact CD2-CZ 3.65Å; F116-F144 HydrophobicContact CD2-CZ 3.65Å; F116-F144 AromaticContact CE1-CZ 3.99Å; F116-F144 HydrophobicContact CE1-CZ 3.99Å; F116-F144 HydrophobicContact CE2-CE2 4.5Å; F116-F144 AromaticContact CE2-CZ 3.69Å; F116-F144 HydrophobicContact CE2-CZ 3.69Å; F116-F144 AromaticContact CG-CE1 3.96Å; F116-F144 HydrophobicContact CG-CE1 3.96Å; F116-F144 AromaticContact CG-CZ 3.8Å; F116-F144 HydrophobicContact CG-CZ 3.8Å; F116-F144 AromaticContact CZ-CZ 3.87Å; F116-F144 HydrophobicContact CZ-CZ 3.87Å; L119-F144 HydrophobicContact CB-CD1 4.12Å; L119-F144 HydrophobicContact CB-CE1 3.84Å; L119-F144 HydrophobicContact CD1-CE1 3.8Å; L119-F144 HydrophobicContact CD1-CZ 4.27Å; L119-F144 HydrophobicContact CG-CE1 4.49Å; A120-F144 CarbonylContact O-C 3.41Å; A120-F144 WeakPolarHBondContact O-CA 3.49Å; A120-F144 WeakPolarHBondContact O-CB 3.36Å; I121-F144 HydrophobicContact CG1-CD1 3.98Å; I121-F144 HydrophobicContact CG1-CE1 3.67Å; A142-F144 HydrophobicContact CB-CD2 4.47Å; A142-F144 HydrophobicContact CB-CE2 3.71Å; A142-F144 HydrophobicContact CB-CZ 3.95Å; A142-F144 WeakPolarHBondContact O-CD2 3.49Å; F144-D146 VanDerWaalsContact C-N 3.29Å; F144-A153 HydrophobicContact CE2-CB 4.24Å; F144-A153 HydrophobicContact CZ-CB 4.03Å
145D80.8Confident76.4Confident88 Ų8854.9 Ų54.947%0.47126%0.256SS..SBendtrans-80.5-13.9174.5-70.2-50.6000113Y96 A120Y96-D145 WeakPolarHBondContact CE2-O 3.45Å; A120-D145 HydrophobicContact CB-CB 4.25Å; A120-D145 PolarHBondContact O-N 3.45Å
146D81.3Confident76.9Confident56 Ų5651.4 Ų51.430%0.29925%0.246SC..  trans-128.9145.1-164.916646.8000113.9A120 F144 E148 S149 L150A120-D146 HydrophobicContact CB-CB 4.21Å; F144-D146 VanDerWaalsContact C-N 3.29Å; D146-E148 PolarHBondContact OD1-N 3.24Å; D146-E148 PolarHBondContact OD2-N 2.88Å; D146-S149 WeakPolarHBondContact O-CB 3.16Å; D146-S149 VanDerWaalsContact OD2-CB 3.27Å; D146-S149 WeakPolarHBondContact OD2-CB 3.44Å; D146-S149 PolarHBondContact OD2-N 2.91Å; D146-S149 PolarHBondContact OD2-OG 3.44Å; D146-L150 PolarHBondContact O-N 3.01Å
147L75.4Confident76.7Confident42 Ų4253 Ų5322%0.2226%0.259CS..Hα-helixtrans-73.5-40179.7-66.4161.5000111.7L90 Y96 S149 L150 L151L90-L147 HydrophobicContact CB-CD2 3.77Å; L90-L147 HydrophobicContact CD1-CD2 3.48Å; L90-L147 VanDerWaalsContact CD1-CD2 3.48Å; L90-L147 HydrophobicContact CG-CD2 4.17Å; Y96-L147 HydrophobicContact CD1-CD2 3.99Å; Y96-L147 HydrophobicContact CE1-CD2 3.28Å; Y96-L147 HydrophobicContact CE1-CG 4.05Å; Y96-L147 HydrophobicContact CE2-CD2 4.05Å; Y96-L147 HydrophobicContact CE2-CG 3.89Å; Y96-L147 WeakPolarHBondContact OH-CD2 3.5Å; L147-S149 VanDerWaalsContact C-N 3.31Å; L147-L150 PolarHBondContact O-N 3.38Å; L147-L151 PolarHBondContact O-N 2.92Å
148E78.9Confident76.8Confident153 Ų15352.7 Ų52.772%0.71526%0.259SS*.Hα-helixtrans-69.4-37.4178.3-57.1-168.817400110.1D146 L151 R152D146-E148 PolarHBondContact OD1-N 3.24Å; D146-E148 PolarHBondContact OD2-N 2.88Å; E148-L151 PolarHBondContact O-N 2.93Å; E148-R152 WeakPolarHBondContact O-CB 3.44Å; E148-R152 PolarHBondContact O-N 2.85Å
149S78.2Confident76.6Confident4 Ų456.6 Ų56.63%0.02828%0.276CS..Hα-helixtrans-54.2-52.4170.9-69.60000111.6L119 A120 D146 L147 L151 R152 A153L119-S149 WeakPolarHBondContact CA-OG 3.48Å; L119-S149 WeakPolarHBondContact CD1-O 3.37Å; A120-S149 PolarHBondContact N-OG 3.1Å; D146-S149 WeakPolarHBondContact O-CB 3.16Å; D146-S149 VanDerWaalsContact OD2-CB 3.27Å; D146-S149 WeakPolarHBondContact OD2-CB 3.44Å; D146-S149 PolarHBondContact OD2-N 2.91Å; D146-S149 PolarHBondContact OD2-OG 3.44Å; L147-S149 VanDerWaalsContact C-N 3.31Å; S149-L151 PolarHBondContact O-N 2.88Å; S149-R152 PolarHBondContact O-N 3.49Å; S149-A153 WeakPolarHBondContact O-CB 3.45Å; S149-A153 PolarHBondContact O-N 3.36Å
150L78Confident75.9Confident2 Ų256.4 Ų56.41%0.0128%0.28CS..Hα-helixtrans-62.8-41.7176.1-179.860.2000112.9L90 A98 D146 L147 R152 A153 L154 I170L90-L150 HydrophobicContact CD2-CD2 3.37Å; A98-L150 HydrophobicContact CB-CD1 3.73Å; D146-L150 PolarHBondContact O-N 3.01Å; L147-L150 PolarHBondContact O-N 3.38Å; L150-R152 VanDerWaalsContact C-N 3.32Å; L150-R152 PolarHBondContact O-N 3.02Å; L150-A153 PolarHBondContact O-N 3.5Å; L150-L154 HydrophobicContact CD1-CD1 4.39Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 4.18Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 3.1Å; L150-I170 HydrophobicContact CD1-CG1 4.38Å; L150-I170 HydrophobicContact CD2-CD1 4.46Å; L150-I170 HydrophobicContact CD2-CG1 4.19Å; L150-I170 HydrophobicContact CD2-CG2 4.09Å; L150-I170 HydrophobicContact CG-CG1 4.46Å
151L78.2Confident75.1Confident71 Ų7157.9 Ų57.937%0.37229%0.287SS..Hα-helixtrans-62.5-40177.4-175148.4000111.8I85 L147 E148 S149 L154 S155I85-L151 HydrophobicContact CD1-CG 3.91Å; I85-L151 HydrophobicContact CG2-CD1 4.34Å; I85-L151 HydrophobicContact CG2-CG 4.44Å; L147-L151 PolarHBondContact O-N 2.92Å; E148-L151 PolarHBondContact O-N 2.93Å; S149-L151 PolarHBondContact O-N 2.88Å; L151-L154 PolarHBondContact O-N 3.39Å; L151-S155 PolarHBondContact O-N 2.96Å; L151-S155 PolarHBondContact O-OG 2.67Å
152R79.1Confident74.4Confident159 Ų15957.2 Ų57.260%0.631%0.308SS*.Hα-helixtrans-68.9-39.8175-162.271.5177.2-162.61.8111.4L119 E148 S149 L150 L154 S155 L156L119-R152 HydrophobicContact CD2-CB 3.65Å; L119-R152 HydrophobicContact CD2-CG 3.72Å; E148-R152 WeakPolarHBondContact O-CB 3.44Å; E148-R152 PolarHBondContact O-N 2.85Å; S149-R152 PolarHBondContact O-N 3.49Å; L150-R152 VanDerWaalsContact C-N 3.32Å; L150-R152 PolarHBondContact O-N 3.02Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 3.16Å; R152-S155 CarbonylContact O-C 3.51Å; R152-S155 WeakPolarHBondContact O-CB 3.34Å; R152-S155 PolarHBondContact O-N 3.3Å; R152-S155 VanDerWaalsContact O-N 3.15Å; R152-L156 HydrophobicContact CG-CD1 4.2Å; R152-L156 WeakPolarHBondContact O-CB 3.35Å; R152-L156 VanDerWaalsContact O-CG 3.29Å; R152-L156 WeakPolarHBondContact O-CG 3.38Å; R152-L156 PolarHBondContact O-N 3.2Å
153A75.3Confident73.9Confident0 Ų063.6 Ų63.60%034%0.342CS..Hα-helixtrans-61.8-39.4175.100000112.4F116 L119 F144 S149 L150 L156 S157 V168F116-A153 HydrophobicContact CD1-CB 4.16Å; F116-A153 HydrophobicContact CE1-CB 3.54Å; F116-A153 HydrophobicContact CZ-CB 4.22Å; L119-A153 HydrophobicContact CD1-CB 3.93Å; F144-A153 HydrophobicContact CE2-CB 4.24Å; F144-A153 HydrophobicContact CZ-CB 4.03Å; S149-A153 WeakPolarHBondContact O-CB 3.45Å; S149-A153 PolarHBondContact O-N 3.36Å; L150-A153 PolarHBondContact O-N 3.5Å; A153-L156 CarbonylContact O-C 3.53Å; A153-L156 PolarHBondContact O-N 2.94Å; A153-S157 PolarHBondContact O-N 2.79Å; A153-S157 VanDerWaalsContact O-N 3.11Å; A153-V168 HydrophobicContact CB-CG1 4.08Å; A153-V168 WeakPolarHBondContact O-CG2 3.21Å
154L75.9Confident73.5Confident19 Ų1963.9 Ų63.910%0.09934%0.341CS..Hα-helixtrans-66.8-37.5172.5-68.2162.3000112I85 L150 L151 R152 L156 S157 V168 I170I85-L154 HydrophobicContact CB-CD1 4.5Å; I85-L154 HydrophobicContact CD1-CB 3.7Å; I85-L154 HydrophobicContact CD1-CD1 3.85Å; I85-L154 HydrophobicContact CD1-CG 4.43Å; I85-L154 HydrophobicContact CG1-CB 4.42Å; I85-L154 HydrophobicContact CG1-CD1 3.94Å; I85-L154 HydrophobicContact CG2-CD1 3.77Å; L150-L154 HydrophobicContact CD1-CD1 4.39Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 4.18Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 3.1Å; L151-L154 PolarHBondContact O-N 3.39Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 3.16Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 3.05Å; L154-S157 WeakPolarHBondContact O-CB 3.29Å; L154-S157 PolarHBondContact O-N 3.21Å; L154-S157 VanDerWaalsContact O-N 3.14Å; L154-S157 PolarHBondContact O-OG 3.38Å; L154-V168 HydrophobicContact CD2-CG1 4.3Å; L154-I170 HydrophobicContact CD1-CD1 3.78Å; L154-I170 HydrophobicContact CD1-CG1 3.69Å; L154-I170 HydrophobicContact CD2-CG1 4.04Å; L154-I170 HydrophobicContact CG-CG1 4.4Å
155S79.3Confident73.4Confident71 Ų7169.4 Ų69.450%0.49736%0.362SS..Hα-helixtrans-68.9-25174.1-530000113.1L151 R152L151-S155 PolarHBondContact O-N 2.96Å; L151-S155 PolarHBondContact O-OG 2.67Å; R152-S155 CarbonylContact O-C 3.51Å; R152-S155 WeakPolarHBondContact O-CB 3.34Å; R152-S155 PolarHBondContact O-N 3.3Å; R152-S155 VanDerWaalsContact O-N 3.15Å
156L70.4Confident73.5Confident48 Ų4865.3 Ų65.325%0.25134%0.34SS..THydrogen-bonded Turntrans-92.36.8172.7-66.8167.8000112.7F115 R152 A153 L154 E159F115-L156 HydrophobicContact CE1-CB 4.34Å; R152-L156 HydrophobicContact CG-CD1 4.2Å; R152-L156 WeakPolarHBondContact O-CB 3.35Å; R152-L156 VanDerWaalsContact O-CG 3.29Å; R152-L156 WeakPolarHBondContact O-CG 3.38Å; R152-L156 PolarHBondContact O-N 3.2Å; A153-L156 CarbonylContact O-C 3.53Å; A153-L156 PolarHBondContact O-N 2.94Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 3.05Å; L156-E159 PolarHBondContact O-N 3.22Å
157S63.2Low73.5Confident48 Ų4871.6 Ų71.634%0.33636%0.359SS..THydrogen-bonded Turntrans-56.5146.8166.666.60000109.6A153 L154A153-S157 PolarHBondContact O-N 2.79Å; A153-S157 VanDerWaalsContact O-N 3.11Å; L154-S157 WeakPolarHBondContact O-CB 3.29Å; L154-S157 PolarHBondContact O-N 3.21Å; L154-S157 VanDerWaalsContact O-N 3.14Å; L154-S157 PolarHBondContact O-OG 3.38Å
158E64.1Low73.7Confident99 Ų9970.2 Ų70.246%0.46335%0.353SS..THydrogen-bonded Turntrans78.6-7.3-173.6-43.1-159.9115.100118.4R165 I166E158-R165 VanDerWaalsContact CD-CZ 3.44Å; E158-R165 IonicContact OE1-CZ 3.98Å; E158-R165 VanDerWaalsContact OE1-CZ 3.26Å; E158-R165 IonicContact OE1-NH1 3.56Å; E158-R165 PolarHBondContact OE1-NH1 3.33Å; E158-R165 IonicContact OE1-NH2 2.78Å; E158-R165 PolarHBondContact OE1-NH2 2.67Å; E158-R165 VanDerWaalsContact OE1-NH2 3.15Å; E158-R165 IonicContact OE2-CZ 2.65Å; E158-R165 IonicContact OE2-NH1 3.11Å; E158-R165 IonicContact OE2-NH2 3.08Å; E158-R165 PolarHBondContact OE2-NH2 2.85Å; E158-I166 VanDerWaalsContact CA-O 3.3Å; E158-I166 WeakPolarHBondContact CA-O 3.48Å; E158-I166 PolarHBondContact N-O 2.92Å
159E66.1Low73.8Confident84 Ų8467.7 Ų67.739%0.39334%0.344SS..  trans-63.1144.6172.1179.2176.8-175.700111.3F115 L156 I166F115-E159 HydrophobicContact CD2-CG 4.19Å; F115-E159 HydrophobicContact CE2-CB 3.47Å; F115-E159 VanDerWaalsContact CE2-CB 3.47Å; F115-E159 HydrophobicContact CE2-CG 3.52Å; F115-E159 HydrophobicContact CZ-CB 3.73Å; F115-E159 HydrophobicContact CZ-CG 4.26Å; L156-E159 PolarHBondContact O-N 3.22Å; E159-I166 PolarHBondContact O-N 3.42Å; E159-I166 VanDerWaalsContact O-N 3.15Å
160N61.8Low73.7Confident99 Ų9969.1 Ų69.153%0.52935%0.351SS..EExtended strand (participates in β ladder)trans-95.9101-165.3-59.373.7000111.1G162 R165N160-G162 PolarHBondContact O-N 3.25Å; N160-R165 WeakPolarHBondContact ND2-CG 3.43Å
161L64Low73.2Confident30 Ų3069.9 Ų69.916%0.15736%0.358CS..EExtended strand (participates in β ladder)trans-80.3115.1158.6-69-171.5000108.4P104 V107 F115 N163 R164 I166P104-L161 HydrophobicContact CG-CB 3.94Å; P104-L161 WeakPolarHBondContact CG-O 3.41Å; V107-L161 HydrophobicContact CB-CD1 4.48Å; V107-L161 HydrophobicContact CG1-CD1 4.01Å; V107-L161 HydrophobicContact CG2-CB 3.76Å; V107-L161 HydrophobicContact CG2-CD1 3.55Å; V107-L161 HydrophobicContact CG2-CG 4.28Å; F115-L161 HydrophobicContact CB-CD1 4.48Å; F115-L161 HydrophobicContact CD2-CD1 4.24Å; F115-L161 HydrophobicContact CD2-CD2 3.85Å; F115-L161 HydrophobicContact CD2-CG 3.87Å; F115-L161 HydrophobicContact CE2-CG 4.34Å; L161-N163 PolarHBondContact O-N 2.75Å; L161-R164 PolarHBondContact N-O 2.68Å; L161-R164 PolarHBondContact O-N 2.83Å; L161-R164 VanDerWaalsContact O-O 3.07Å; L161-I166 HydrophobicContact CB-CD1 4Å; L161-I166 HydrophobicContact CD1-CD1 3.58Å; L161-I166 HydrophobicContact CG-CD1 3.58Å
162G68.9Low72.2Confident76 Ų7670.4 Ų70.478%0.78436%0.361SS*.THydrogen-bonded Turntrans56.9-122.4-178.400000113.3N160N160-G162 PolarHBondContact O-N 3.25Å
163N70.5Confident71.1Confident133 Ų13364.8 Ų64.871%0.71134%0.342SS*.THydrogen-bonded Turntrans-95.35.8-174.965.7-1000114.8L161L161-N163 PolarHBondContact O-N 2.75Å
164R73.5Confident69.8Low59 Ų5968.3 Ų68.322%0.22337%0.366CS..EExtended strand (participates in β ladder)trans-133.4141.9-177-69.2166.672.9-176.71.3111.6N102 L103 P104 L161N102-R164 PolarHBondContact OD1-NE 3.23Å; N102-R164 PolarHBondContact OD1-NH2 3.43Å; L103-R164 PolarHBondContact O-NH1 3.48Å; P104-R164 HydrophobicContact CG-CB 4.28Å; L161-R164 PolarHBondContact N-O 2.68Å; L161-R164 PolarHBondContact O-N 2.83Å; L161-R164 VanDerWaalsContact O-O 3.07Å
165R79.6Confident68.7Low117 Ų11772.3 Ų72.344%0.44239%0.388SS..EExtended strand (participates in β ladder)trans-85.4129.3176.7-62.2171.484.1-141.918.6109.7N102 E158 N160N102-R165 PolarHBondContact ND2-O 3.04Å; E158-R165 VanDerWaalsContact CD-CZ 3.44Å; E158-R165 IonicContact OE1-CZ 3.98Å; E158-R165 VanDerWaalsContact OE1-CZ 3.26Å; E158-R165 IonicContact OE1-NH1 3.56Å; E158-R165 PolarHBondContact OE1-NH1 3.33Å; E158-R165 IonicContact OE1-NH2 2.78Å; E158-R165 PolarHBondContact OE1-NH2 2.67Å; E158-R165 VanDerWaalsContact OE1-NH2 3.15Å; E158-R165 IonicContact OE2-CZ 2.65Å; E158-R165 IonicContact OE2-NH1 3.11Å; E158-R165 IonicContact OE2-NH2 3.08Å; E158-R165 PolarHBondContact OE2-NH2 2.85Å; N160-R165 WeakPolarHBondContact ND2-CG 3.43Å
166I81.2Confident67.4Low2 Ų274.2 Ų74.21%0.0139%0.392CS..  trans-78.4141.4179.7-57.2-180000109.7L100 L103 F115 E158 E159 L161 V168L100-I166 HydrophobicContact CB-CG2 4.49Å; L103-I166 HydrophobicContact CD2-CD1 3.57Å; L103-I166 HydrophobicContact CD2-CG1 3.9Å; L103-I166 HydrophobicContact CD2-CG2 4.02Å; F115-I166 HydrophobicContact CD2-CD1 4.31Å; F115-I166 HydrophobicContact CE2-CD1 3.9Å; F115-I166 HydrophobicContact CZ-CD1 4.14Å; E158-I166 VanDerWaalsContact CA-O 3.3Å; E158-I166 WeakPolarHBondContact CA-O 3.48Å; E158-I166 PolarHBondContact N-O 2.92Å; E159-I166 PolarHBondContact O-N 3.42Å; E159-I166 VanDerWaalsContact O-N 3.15Å; L161-I166 HydrophobicContact CB-CD1 4Å; L161-I166 HydrophobicContact CD1-CD1 3.58Å; L161-I166 HydrophobicContact CG-CD1 3.58Å; I166-V168 HydrophobicContact CG2-CG2 4.09Å
167R81.3Confident66.6Low188 Ų18879.9 Ų79.971%0.70942%0.415SS*.EExtended strand (participates in β ladder)trans-104.2116.3164.9-75.6-177.6165.7170.6-4.5108.2L100 G101L100-R167 CarbonylContact C-O 3.58Å; G101-R167 PolarHBondContact N-O 2.92Å; G101-R167 PolarHBondContact O-N 3.15Å
168V80.5Confident66.1Low13 Ų1384.8 Ų84.88%0.07943%0.432CS..EExtended strand (participates in β ladder)trans-97.2127.6171.2-172.80000107.3A98 F99 L100 F116 A153 L154 I166A98-V168 HydrophobicContact CB-CG1 4.04Å; F99-V168 WeakPolarHBondContact O-CA 3.48Å; L100-V168 HydrophobicContact CD2-CB 4.47Å; L100-V168 HydrophobicContact CD2-CG1 4.16Å; L100-V168 HydrophobicContact CD2-CG2 3.91Å; F116-V168 HydrophobicContact CZ-CG2 4.4Å; A153-V168 HydrophobicContact CB-CG1 4.08Å; A153-V168 WeakPolarHBondContact O-CG2 3.21Å; L154-V168 HydrophobicContact CD2-CG1 4.3Å; I166-V168 HydrophobicContact CG2-CG2 4.09Å
169D81Confident65.7Low100 Ų10089.4 Ų89.454%0.53545%0.445SS..EExtended strand (participates in β ladder)trans-132.7158.9175.7-164.86.2000109.2A98 F99 A171A98-D169 CarbonylContact C-O 3.53Å; A98-D169 WeakPolarHBondContact CA-O 3.39Å; F99-D169 HydrophobicContact CB-CB 4.39Å; F99-D169 HydrophobicContact CD1-CB 4.41Å; F99-D169 PolarHBondContact N-O 3.44Å; F99-D169 PolarHBondContact O-N 2.98Å; D169-A171 PolarHBondContact O-N 3.32Å
170I75.6Confident65Low33 Ų3392.4 Ų92.417%0.16946%0.464CS..EExtended strand (participates in β ladder)trans-80.2116.1178.8-55.5176.2000108.5L90 L150 L154 D172L90-I170 HydrophobicContact CD2-CD1 3.99Å; L90-I170 HydrophobicContact CD2-CG2 4.33Å; L150-I170 HydrophobicContact CD1-CG1 4.38Å; L150-I170 HydrophobicContact CD2-CD1 4.46Å; L150-I170 HydrophobicContact CD2-CG1 4.19Å; L150-I170 HydrophobicContact CD2-CG2 4.09Å; L150-I170 HydrophobicContact CG-CG1 4.46Å; L154-I170 HydrophobicContact CD1-CD1 3.78Å; L154-I170 HydrophobicContact CD1-CG1 3.69Å; L154-I170 HydrophobicContact CD2-CG1 4.04Å; L154-I170 HydrophobicContact CG-CG1 4.4Å; I170-D172 PolarHBondContact O-N 3.03Å
171A68Low64.3Low19 Ų1990.3 Ų90.316%0.15747%0.466CS..  trans-87.4100.6166.300000107.8T97 F99 Y141 D169 Q173T97-A171 CarbonylContact O-C 3.53Å; T97-A171 WeakPolarHBondContact O-CA 3.39Å; T97-A171 WeakPolarHBondContact O-CB 3.24Å; T97-A171 PolarHBondContact O-N 3.48Å; T97-A171 WeakPolarHBondContact OG1-CB 3.37Å; T97-A171 PolarHBondContact OG1-O 3.42Å; F99-A171 HydrophobicContact CB-CB 4.18Å; Y141-A171 HydrophobicContact CD1-CB 4.37Å; D169-A171 PolarHBondContact O-N 3.32Å; A171-Q173 PolarHBondContact O-N 2.78Å
172D57.1Low63.4Low81 Ų8191.6 Ų91.643%0.43349%0.487SS..  trans-65.7130.4164.2-162-11.6000108.4P91 I170 S174P91-D172 WeakPolarHBondContact CG-OD1 3.31Å; I170-D172 PolarHBondContact O-N 3.03Å; D172-S174 PolarHBondContact O-N 3.39Å; D172-S174 PolarHBondContact O-OG 3.5Å
173Q55.9Low62.3Low42 Ų4293.3 Ų93.320%0.19649%0.487CS..SBendtrans-77.631.8-166.639.3163.7-43.600113.1P91 S93 P95 A171 N175 D176P91-Q173 HydrophobicContact CG-CG 3.88Å; S93-Q173 PolarHBondContact O-NE2 2.94Å; P95-Q173 PolarHBondContact O-NE2 3.42Å; A171-Q173 PolarHBondContact O-N 2.78Å; Q173-N175 PolarHBondContact O-N 3.47Å; Q173-N175 VanDerWaalsContact O-N 3.1Å; Q173-D176 PolarHBondContact O-N 3.25Å
174S48.5Very low61.4Low73 Ų7396.5 Ų96.551%0.5150%0.5SS..Hα-helixtrans-54.1-2717553.50000113.7D172 D176 E178D172-S174 PolarHBondContact O-N 3.39Å; D172-S174 PolarHBondContact O-OG 3.5Å; S174-D176 PolarHBondContact O-N 3.19Å; S174-E178 PolarHBondContact O-N 3.41Å
175N52.7Low60.2Low104 Ų10497.1 Ų97.156%0.55653%0.525SS*.Hα-helixtrans-74.2-15.8-171.1-166.752.8000115.5Q173Q173-N175 PolarHBondContact O-N 3.47Å; Q173-N175 VanDerWaalsContact O-N 3.1Å
176D52.3Low58.3Low111 Ų11194.7 Ų94.759%0.59454%0.536SS*.Hα-helixtrans-88.5-42.8174.8-117.4-124.9000111.3Q173 S174 E178 R179 D180Q173-D176 PolarHBondContact O-N 3.25Å; S174-D176 PolarHBondContact O-N 3.19Å; D176-E178 VanDerWaalsContact C-N 3.27Å; D176-E178 PolarHBondContact O-N 2.89Å; D176-R179 PolarHBondContact O-N 2.83Å; D176-D180 PolarHBondContact O-N 2.63Å
177K53.3Low56.4Low166 Ų166105.8 Ų105.872%0.72258%0.578SS**Hα-helixtrans-62.7-29.1178.2-76-179.7177.8170.90113.9
178E53.2Low54.4Low151 Ų151103.8 Ų103.871%0.70658%0.581SS**Hα-helixtrans-76.8-19.2174.8-71.4-171.2164.100113.7S174 D176S174-E178 PolarHBondContact O-N 3.41Å; D176-E178 VanDerWaalsContact C-N 3.27Å; D176-E178 PolarHBondContact O-N 2.89Å
179R53.8Low52.8Low196 Ų196115.2 Ų115.274%0.7462%0.623SS**Hα-helixtrans-84.7-34.9-179.7-88.1-177169.1-132.3-8.3114D176D176-R179 PolarHBondContact O-N 2.83Å
180D51.4Low51.2Low147 Ų147114.4 Ų114.479%0.78664%0.638SS**Hα-helixtrans-92-7179.5-69.4-78.4000114D176D176-D180 PolarHBondContact O-N 2.63Å
181G48.2Very low49.4Very low55 Ų55116 Ų11657%0.56766%0.663SS**Hα-helixtrans-98.7-17.6172.700000115.5S183G181-S183 PolarHBondContact O-N 3.4Å
182G45Very low48.1Very low58 Ų58126.2 Ų126.260%0.59870%0.697SS**  trans-75.975.2-17200000114.4M184G182-M184 PolarHBondContact O-N 2.79Å
183S45.1Very low47.8Very low111 Ų111131.7 Ų131.778%0.77672%0.723SS**  trans-5794.4178.5-75.10000113.4G181 G185G181-S183 PolarHBondContact O-N 3.4Å; S183-G185 PolarHBondContact O-N 3.22Å
184M51.9Low47.2Very low201 Ų201134.1 Ų134.199%0.9975%0.75SS**  trans-76.466.6166.7-162.8174.4-166.600110.1G182G182-M184 PolarHBondContact O-N 2.79Å
185G48.5Very low46.9Very low72 Ų72137.3 Ų137.374%0.74276%0.762SS**  trans169.594.3179.800000115.9S183S183-G185 PolarHBondContact O-N 3.22Å
186G39.8Very low46.4Very low66 Ų66140.4 Ų140.468%0.6878%0.775SS**  trans149.8119.1175.200000109
187R41.9Very low45.7Very low234 Ų234138 Ų13888%0.88378%0.776SS**  52.8112.384.7-75.6-166.9-169.1166.24.3110.6
188D38.7Very low45.4Very low147 Ų147135.3 Ų135.379%0.78678%0.775SS**  cis-150.4165.226.9-75.1-60.2000115.5G190D188-G190 PolarHBondContact O-N 2.99Å
189R47.1Very low45.1Very low252 Ų252134.8 Ų134.895%0.95178%0.778SS**  trans-69.3122.7166.7-73176.1168.6125.3-6.9110.5
190G46.4Very low45.1Very low83 Ų83133.5 Ų133.586%0.85678%0.778SS**  trans79.296.8144.600000118.5D188D188-G190 PolarHBondContact O-N 2.99Å
191G39.7Very low45Very low67 Ų67132.1 Ų132.169%0.69178%0.775SS**  trans-136.5112.2150.100000107.5
192R39.1Very low44.9Very low233 Ų233137 Ų13788%0.87979%0.787SS**  53.389.389.2-60.6-71.2-160.2-112.6-2.5109.6
193M51.3Low45Very low196 Ų196138.3 Ų138.397%0.96679%0.788SS**  51.167.783.9-166.889.4177.400111.9
194A42.8Very low45.6Very low94 Ų94138.5 Ų138.578%0.77778%0.78SS**  trans179.3141.6170.100000105.3
195D42.2Very low45.5Very low140 Ų140141.2 Ų141.275%0.74978%0.779SS**  cis-158.8160.8-3.1-177.9-141.6000108
196M42Very low45.7Very low169 Ų169148.6 Ų148.683%0.83379%0.785SS**  trans59.2119.4175.5-60.9-156.4-17600120.5
197G38.5Very low46.1Very low61 Ų61148.7 Ų148.763%0.62978%0.779SS**  trans93.1110.9133.700000118.1D199G197-D199 PolarHBondContact O-N 2.93Å
198P46.9Very low45.9Very low108 Ų108148.5 Ų148.570%0.70178%0.779SS**  trans-77.5101.2157.131.3-29.3000109.1K200P198-K200 VanDerWaalsContact C-N 3.3Å; P198-K200 PolarHBondContact O-N 2.77Å
199D46.7Very low46Very low141 Ų141147.6 Ų147.675%0.75478%0.781SS**  trans-62.991.6163.7-82.1-64.7000109.4G197 T201G197-D199 PolarHBondContact O-N 2.93Å; D199-T201 PolarHBondContact O-N 2.93Å
200K54.7Low45.5Very low169 Ų169140.8 Ų140.874%0.73577%0.772SS**THydrogen-bonded Turntrans-68.36.3-177.4-70.8-179.8175.2-176.60114P198 S203P198-K200 VanDerWaalsContact C-N 3.3Å; P198-K200 PolarHBondContact O-N 2.77Å; K200-S203 PolarHBondContact O-OG 2.75Å
201T48.1Very low45.2Very low118 Ų118140.3 Ų140.372%0.72476%0.76SS**THydrogen-bonded Turntrans-84-22.9-173.441.30000114.4D199 S203D199-T201 PolarHBondContact O-N 2.93Å; T201-S203 VanDerWaalsContact C-N 3.28Å; T201-S203 PolarHBondContact O-N 2.86Å
202D46Very low45.3Very low156 Ų156144.3 Ų144.383%0.83477%0.765SS**  trans-94.858.5168-83.8-77.6000111D204D202-D204 VanDerWaalsContact C-N 3.3Å; D202-D204 PolarHBondContact O-N 3.15Å
203S48.3Very low45.8Very low87 Ų87138.8 Ų138.861%0.60876%0.762SS**  trans-68.188.6170.5-73.70000110.1K200 T201 W205K200-S203 PolarHBondContact O-OG 2.75Å; T201-S203 VanDerWaalsContact C-N 3.28Å; T201-S203 PolarHBondContact O-N 2.86Å; S203-W205 PolarHBondContact O-N 2.87Å; S203-W205 VanDerWaalsContact O-N 3.08Å
204D57.7Low45Very low114 Ų114137 Ų13761%0.6176%0.756SS**  trans-50109.6175.6-156.9-16.6000110.7D202 R206 A207D202-D204 VanDerWaalsContact C-N 3.3Å; D202-D204 PolarHBondContact O-N 3.15Å; D204-R206 PolarHBondContact O-N 3.47Å; D204-A207 HydrophobicContact CB-CB 4.25Å; D204-A207 WeakPolarHBondContact O-CB 3.15Å; D204-A207 PolarHBondContact O-N 2.78Å
205W50Low45Very low258 Ų258140.3 Ų140.398%0.97776%0.761SS**THydrogen-bonded Turntrans-63.93.5-175.6-69.889.3000114.5S203S203-W205 PolarHBondContact O-N 2.87Å; S203-W205 VanDerWaalsContact O-N 3.08Å
206R52.5Low44.8Very low228 Ų228136.5 Ų136.586%0.8676%0.755SS**THydrogen-bonded Turntrans-110.5-12.1173.3-69.4174.6172.5-91.1-2.3113.4D204 R208D204-R206 PolarHBondContact O-N 3.47Å; R206-R208 PolarHBondContact O-N 2.92Å
207A47.4Very low44.7Very low68 Ų68134.5 Ų134.556%0.56275%0.754SS**SBendtrans-65.4120.1168.600000108.4D204D204-A207 HydrophobicContact CB-CB 4.25Å; D204-A207 WeakPolarHBondContact O-CB 3.15Å; D204-A207 PolarHBondContact O-N 2.78Å
208R38.2Very low45Very low230 Ų230137.5 Ų137.587%0.86876%0.763SS**PPolyproline II helixtrans-61.1143.7166.3-70.9175.2156.9-164.1-9.5108R206 S210R206-R208 PolarHBondContact O-N 2.92Å; R208-S210 PolarHBondContact O-N 3.11Å; R208-S210 VanDerWaalsContact O-N 3.07Å
209P40.1Very low44.9Very low128 Ų128143.5 Ų143.583%0.83177%0.772SS**PPolyproline II helixtrans-55.9122.8165.425.8-32.5000107.3A211P209-A211 PolarHBondContact O-N 3.14Å
210S36Very low44.2Very low109 Ų109147.5 Ų147.576%0.76278%0.776SS**PPolyproline II helixtrans-64.3120.2167.2-167.80000106.1R208R208-S210 PolarHBondContact O-N 3.11Å; R208-S210 VanDerWaalsContact O-N 3.07Å
211A41.8Very low43.2Very low73 Ų73145.2 Ų145.260%0.60377%0.772SS**SBendtrans-59145.8160.200000108.2P209P209-A211 PolarHBondContact O-N 3.14Å
212D40.6Very low42.4Very low151 Ų151146.7 Ų146.781%0.80778%0.775SS**SBendtrans65.770.7165.9-53.5-66.6000117
213S49.4Very low41.7Very low116 Ų116143.2 Ų143.281%0.81177%0.769SS**  trans-152.853.7141.8-73.50000111.1
214D35.7Very low40.8Very low159 Ų159148.7 Ų148.785%0.8578%0.782SS**  trans-111100.7157.1-93.6-60.2000108.4G216D214-G216 PolarHBondContact O-N 3.46Å
215D41.7Very low39.6Very low163 Ų163147 Ų14787%0.87279%0.791SS**PPolyproline II helixtrans-51.4116.7151.6-84.4-78.5000108.2
216G39.2Very low38.9Very low60 Ų60142.6 Ų142.662%0.61978%0.782SS**PPolyproline II helixtrans-62154.9-168.800000114.6D214D214-G216 PolarHBondContact O-N 3.46Å
217P39.3Very low38Very low127 Ų127144 Ų14483%0.82579%0.787SS**PPolyproline II helixtrans-62.1159.5178.326.2-34000112.8
218P44.4Very low37.1Very low125 Ų125144.5 Ų144.581%0.81279%0.786SS**PPolyproline II helixtrans-79158.7-150.930.3-37.7000115.8
219R44.3Very low36.7Very low234 Ų234144.3 Ų144.388%0.88379%0.785SS**PPolyproline II helixtrans-57.1133.1172.3-68.1179.3168.9123.8-0.2113.2
220R32.6Very low36.2Very low225 Ų225144.6 Ų144.685%0.84978%0.78SS**  trans-136.6116.9131.7-78.1-178.6170.4-92.92105.1
221D32.9Very low36.2Very low121 Ų121150.2 Ų150.265%0.64778%0.784SS**  54.6112.985.3-48.4-41.9000109.5
222D31.7Very low35.6Very low148 Ų148155.9 Ų155.979%0.79179%0.791SS**  cis-139178.417-63.4-85.6000109
223A31.3Very low35.1Very low84 Ų84154.4 Ų154.469%0.69478%0.78SS**  cis-171.914237.600000113.2
224F29.5Very low34.1Very low201 Ų201153.6 Ų153.688%0.88277%0.774SS**  trans42.8120.5140.8-71.5-96.6000123.7
225G33.8Very low33.8Very low78 Ų78152.8 Ų152.880%0.80477%0.77SS**  trans82.3141.3146.300000116.9
226E34.9Very low33.5Very low167 Ų167156 Ų15678%0.7877%0.769SS**  cis-130.4130.75.5-68.1-168.495.900112S228E226-S228 PolarHBondContact OE1-OG 3.29Å; E226-S228 VanDerWaalsContact OE1-OG 3.07Å
227R33.2Very low33.2Very low258 Ų258161.6 Ų161.697%0.97477%0.773SS**  trans-10492.6145.1-86.3-176174.7-179.4-1107.2
228S27.9Very low32.7Very low77 Ų77165.1 Ų165.154%0.53877%0.77SS.*  trans-121.1122174.7-710000109.5E226E226-S228 PolarHBondContact OE1-OG 3.29Å; E226-S228 VanDerWaalsContact OE1-OG 3.07Å
229R30.9Very low32Very low226 Ų226167.4 Ų167.485%0.85377%0.77SS**  trans72103.6168.3-72.3153.1-178.3166.31.9117.1
230D29.6Very low31.3Very low134 Ų134159.2 Ų159.272%0.71776%0.759SS**  86.5116.869.6-73.9-47.5000109.8
231R36.2Very low31.2Very low228 Ų228153.8 Ų153.886%0.8676%0.755SS**  6183.767.4-170.5-174.2-126.8-155.50.4111.4
232Y27.8Very low31.4Very low191 Ų191159 Ų15975%0.74977%0.766SS**  trans-152.8144.5155.4-140.1-106.5000110.1
233E30.8Very low31.6Very low121 Ų121163 Ų16357%0.56577%0.77SS**  trans29.6113.2162.8-9670.3141.700118.2
234S27.8Very low31.7Very low98 Ų98165.1 Ų165.169%0.68577%0.769SS**  48.3134.558.7-55.90000114.9
235D30.6Very low32Very low143 Ų143162.5 Ų162.577%0.76577%0.765SS**  trans59.995.3163.9-55.1-46.5000118.7
236R34Very low31.9Very low229 Ų229169.5 Ų169.586%0.86477%0.767SS**  -153.5100.4118.6-73.6-148.2-1741589.5113.3
237Y32.8Very low31.8Very low178 Ų178171.9 Ų171.970%0.69877%0.77SS**  trans59.5116.2139.2-59.7-73.6000119.1
238R28.8Very low31.9Very low201 Ų201166.4 Ų166.476%0.75876%0.76SS**  67.4121.476.2-176.4-166.7-66.2-159.50.6110
239E29.5Very low32Very low173 Ų173165.8 Ų165.881%0.80877%0.766SS**  cis-161.315937.4-135.7157.3139.800109.6
240G29.8Very low32.1Very low63 Ų63158.9 Ų158.965%0.64977%0.765SS**  cis174-179-4.900000114.4
241S31.6Very low32.2Very low111 Ų111163.6 Ų163.678%0.77677%0.773SS**  trans63.4105.6164.2-59.90000119
242R36.5Very low32.3Very low231 Ų231157.8 Ų157.887%0.87276%0.759SS**  cis89.3110.244-69.7-178.3177.8-178.8-0.4115.9
243R35.8Very low32.6Very low230 Ų230158.9 Ų158.987%0.86876%0.762SS**  169.4111.6123.8-91.6179.9-173.8-138.82.8109.6
244D33.3Very low32.6Very low129 Ų129164.3 Ų164.369%0.6978%0.779SS**  63.599.685-63.1-70.1000111.9
245D37.2Very low32.9Very low147 Ų147171 Ų17179%0.78679%0.789SS**  85.4128.372.8-87.6-67000115.3
246R31.6Very low33.2Very low224 Ų224171.8 Ų171.885%0.84579%0.793SS**  trans162.8126.6137.5-91166.4-163.1-148.63.2116.1
247Y32.4Very low33.3Very low217 Ų217170.3 Ų170.385%0.85179%0.788SS**  trans61.2160.8136.9-79.3-118.3000119.7
248D34.1Very low33.2Very low144 Ų144170.7 Ų170.777%0.7779%0.789SS**  cis-173173.9-27179.3-141.7000106.8
249G30.6Very low33.6Very low64 Ų64167 Ų16766%0.6679%0.785SS**  trans-73.3158.6-168.800000118.2
250G32.3Very low34Very low81 Ų81167.3 Ų167.384%0.83579%0.792SS**  trans104.9131.1147.100000117.3
251R33.4Very low34.4Very low233 Ų233173.9 Ų173.988%0.87980%0.797SS**  -175.3126.6108.5-161.6164.4-164.6-147.94.3113.3
252D36.5Very low34.8Very low105 Ų105176.7 Ų176.756%0.56180%0.803SS**  trans0.1129.8152.5-63.9-90.6000120.2
253R35.7Very low35.1Very low215 Ų215177.5 Ų177.581%0.81181%0.806SS**  70.8158.790.6-61.4177.1179.2153.2-8.5115.4
254Y30.7Very low35.1Very low234 Ų234177.1 Ų177.192%0.91881%0.805SS**  trans73.5125-164-60.7-91.6000111.6
255R33.8Very low35.1Very low238 Ų238177.4 Ų177.490%0.89881%0.807SS**  cis-156.9113.633.8-173.3-177.3-152.7163.64.8112.5
256D37.4Very low34.9Very low161 Ų161181 Ų18186%0.86181%0.809SS**  trans-65.3160.1156.2-75.5-78.6000111.5
257R34.4Very low34.8Very low197 Ų197179.6 Ų179.674%0.74381%0.805SS**  trans114.4124.3156.6-160.1-168.9-86.6-149.8-6.1115.7
258Y31.3Very low34.8Very low186 Ų186175.5 Ų175.573%0.72980%0.798SS**  trans76.7127179.7-50.6-69.9000114.3
259D36.7Very low34.9Very low124 Ų124175.4 Ų175.466%0.66380%0.798SS**  cis-140.5122.410.2-102-69.9000113R261D259-R261 HydrophobicContact CB-CB 4.38Å; D259-R261 PolarHBondContact O-N 2.72Å
260D38.5Very low35Very low180 Ų180183.4 Ų183.496%0.96381%0.808SS**  trans-9277.4164.7-100.2-72.4000108.8
261R38.8Very low35Very low200 Ų200186.6 Ų186.676%0.75581%0.806SS**  trans-141.25.9-166.2-129.8-172.6-170.4-167.23.9121.9D259D259-R261 HydrophobicContact CB-CB 4.38Å; D259-R261 PolarHBondContact O-N 2.72Å
262D39.3Very low35.2Very low170 Ų170186.9 Ų186.991%0.90981%0.807SS**  trans-12540.6176.6-72.8-66.8000114.2
263R43.6Very low35.3Very low248 Ų248192.5 Ų192.594%0.93682%0.82SS**  trans-87.4112.8148.3-78.5-171.5-177176.93.5108.8
264R35.8Very low35.1Very low223 Ų223188.9 Ų188.984%0.84282%0.817SS**  trans135.6145.6144.8-163.6176.1-160.7175.34.3112.3
265D33.6Very low35.2Very low135 Ų135186.8 Ų186.872%0.72281%0.809SS**  trans70.5126.1-179-49.5-48000113.2
266R31.9Very low35.3Very low222 Ų222183.3 Ų183.384%0.83881%0.808SS**  cis-164.4121.440.7163.8180-80.9-179.9-6.8111.5
267Y30.1Very low35.1Very low194 Ų194187.6 Ų187.676%0.76181%0.812SS**  trans53.1115.1148.5-73.4-97000118.9
268D31.7Very low35Very low131 Ų131182.1 Ų182.170%0.70182%0.816SS**  105.7128.565.4-99-117.3000110.4
269D36.5Very low35.2Very low143 Ų143176.9 Ų176.977%0.76582%0.819SS**  trans16.4108.3155.2-68.6-106.9000120.7
270R33.6Very low35Very low232 Ų232179.7 Ų179.788%0.87583%0.826SS**  trans-156.9158.3133.3-111.5168.5-138.1-154.53.3113.1
271D32.3Very low34.8Very low147 Ų147177.8 Ų177.879%0.78682%0.816SS**  trans70.955.1166.7-49.8-31.2000117.6
272R37.2Very low34.7Very low240 Ų240172.7 Ų172.791%0.90681%0.811SS**  trans-71.6129.2137-79.8-174.4178-173.31.5109.4
273R38.4Very low34.3Very low223 Ų223175.9 Ų175.984%0.84281%0.81SS**  trans69119.2172.7-53.3177.7-179.2174.70.2114.7
274D31.1Very low33.8Very low138 Ų138168.3 Ų168.374%0.73881%0.809SS**  -169.3136.9110.9-100.4-18.8000112.7
275Y33.7Very low33.6Very low191 Ų191161.5 Ų161.575%0.74981%0.808SS**  trans41.3110.8166.1-64.7-86.8000119.6
276D35.4Very low33.6Very low165 Ų165159.2 Ų159.288%0.88282%0.817SS**  43.673.769.5-70.4-59000113.9
277R33.8Very low33.5Very low251 Ų251152.2 Ų152.295%0.94781%0.814SS**  trans-140.891.4168.5-164.8175.4-162.1-1674.6112.7
278G32.7Very low33.7Very low81 Ų81154.5 Ų154.584%0.83582%0.821SS**  trans161.842.4172.100000116.7
279G35.3Very low34.1Very low77 Ų77159.9 Ų159.979%0.79483%0.832SS**  trans-75.2141.4172.400000112.5
280F32.3Very low33.8Very low183 Ų183157.6 Ų157.680%0.80383%0.833SS**  trans-143.1108.8146-172.8-103.4000111S282F280-S282 WeakPolarHBondContact CE1-OG 3.28Å
281D34.5Very low33.7Very low139 Ų139157.2 Ų157.274%0.74384%0.838SS**  trans-68.2125.4172.1-67.4-94.1000112.3
282S35.2Very low34Very low93 Ų93153.6 Ų153.665%0.6584%0.835SS**  trans-146.370.3148.6-82.60000112.4F280F280-S282 WeakPolarHBondContact CE1-OG 3.28Å
283R32.1Very low34Very low237 Ų237147.7 Ų147.789%0.89483%0.831SS**  trans57.4100.9131.4-61.2174.5-177.1-163.8-1.3118.3
284G31.9Very low33.6Very low89 Ų89142.1 Ų142.192%0.91883%0.826SS**  trans100.899.4135.100000116.3
285G31.3Very low33.5Very low80 Ų80144.5 Ų144.583%0.82583%0.83SS**  trans169.547.1175.200000115.3
286G33.7Very low33.4Very low88 Ų88146 Ų14691%0.90783%0.834SS**  trans-71.7132.3168.600000110.4
287G31.4Very low33.4Very low75 Ų75148.5 Ų148.577%0.77383%0.832SS**  trans166.7104.7176.400000115.3
288R34.5Very low33.2Very low241 Ų241143 Ų14391%0.90982%0.821SS**  trans-66.5131.9173.9-55.5173.8-173.9-91.12.3111.2
289R39.3Very low33.1Very low245 Ų245150.8 Ų150.893%0.92583%0.827SS**  trans52.7118.8151.8-54.9-177.5-171.9-175.53120
290A29.1Very low33Very low95 Ų95155.9 Ų155.979%0.78583%0.83SS**  trans-146.7104.813900000106.9
291F32.9Very low33Very low223 Ų223155.3 Ų155.398%0.97884%0.835SS**  47.58988.5-129.9-81.5000112.9
292G39.1Very low32.9Very low72 Ų72151.7 Ų151.774%0.74283%0.831SS**  trans159.959.9177.300000117.1
293S35.8Very low32.7Very low116 Ų116159.5 Ų159.581%0.81185%0.846SS**  trans-166.594.9156.740.90000112.8
294S31.2Very low32.6Very low106 Ų106151.7 Ų151.774%0.74184%0.839SS**  trans-162.2146.9156.9-820000108.4
295F27.8Very low32.6Very low187 Ų187153 Ų15382%0.8283%0.834SS**SBendtrans74.1125.2-169.7-51.9-62.9000115.4
296R33Very low32.8Very low222 Ų222155.1 Ų155.184%0.83883%0.827SS**  cis-140.6145.6-22.3-78.7-171-170.1-162.52.4107.7
297R34.3Very low32.8Very low218 Ų218158.1 Ų158.182%0.82382%0.822SS**SBendtrans-96.8151.8151.5-152.3-168.2-92.4-171.5-7.5107.4
298D29.2Very low33.5Very low136 Ų136164.7 Ų164.773%0.72782%0.823SS**  trans71.3116164.4-47.3-48000117
299Y31.7Very low33.9Very low244 Ų244164.3 Ų164.396%0.95782%0.824SS**PPolyproline II helixtrans-91.8159.2164.4-122-94.2000108.6
300E32.4Very low34Very low185 Ų185155.9 Ų155.986%0.86481%0.813SS**PPolyproline II helixtrans-74.8145.9-178.9-151175.9174.600112.8
301D32.4Very low34.6Very low170 Ų170159.5 Ų159.591%0.90982%0.819SS**PPolyproline II helixtrans-71.9123171.2-120-65.5000110.2
302G32.9Very low35Very low63 Ų63157.6 Ų157.665%0.64981%0.811SS**  trans-136.62.7-156.200000119.5
303R31.5Very low35.3Very low258 Ų258161.1 Ų161.197%0.97481%0.812SS**  trans70.3137.5179.1-46.6174.7178-169.3-1117.1
304G29.6Very low35.9Very low73 Ų73166.9 Ų166.975%0.75382%0.816SS**  trans145.381.7146.800000117.9
305S31.7Very low36.4Very low116 Ų116172.2 Ų172.281%0.81182%0.822SS**  trans62.3102.1150-164.30000119.4
306N34.3Very low37.3Very low124 Ų124165.2 Ų165.266%0.66380%0.803SS**  49.9105.5126.8-168.382.3000118.5
307D34.9Very low38.1Very low152 Ų152161.9 Ų161.981%0.81380%0.801SS**  -155.9142.8110.7-97.5-39.3000113.2
308R44.9Very low38.7Very low212 Ų212160.9 Ų160.980%0.880%0.798SS**  trans-80.7149.7170.7-73.8170.8163.7158.7-6.4109.1
309Y44.7Very low39.4Very low233 Ų233159.7 Ų159.791%0.91479%0.791SS**  trans76.6110.8176.3-56.5-86.9000115.6
310G40.4Very low40.2Very low68 Ų68153.8 Ų153.870%0.70178%0.776SS**  trans178.93.2176.100000118.2K312G310-K312 PolarHBondContact O-N 3.48Å
311D41.7Very low41.2Very low171 Ų171155 Ų15591%0.91477%0.773SS**THydrogen-bonded Turntrans-84.173.5178.2-169.3-120.4000111.4
312K41.5Very low41.7Very low184 Ų184154.3 Ų154.380%0.876%0.759SS**THydrogen-bonded Turntrans-151.9-10.9174.7-137.3-173.2174.6-172.30119G310G310-K312 PolarHBondContact O-N 3.48Å
313D44.6Very low42.5Very low145 Ų145156.8 Ų156.878%0.77576%0.757SS**  trans-101.721.9-167.1-59.2-56.5000115.6Y315D313-Y315 VanDerWaalsContact C-N 3.31Å; D313-Y315 PolarHBondContact O-N 2.87Å
314R48.8Very low43.4Very low238 Ų238154.5 Ų154.590%0.89875%0.748SS**THydrogen-bonded Turntrans-85.67.4-179.8-139.9178.9-157169.99.4115.7
315Y41.2Very low44.3Very low217 Ų217160.4 Ų160.485%0.85175%0.748SS**THydrogen-bonded Turntrans-125.82.3-176-83-84.6000115.1D313D313-Y315 VanDerWaalsContact C-N 3.31Å; D313-Y315 PolarHBondContact O-N 2.87Å
316G48.3Very low44.9Very low41 Ų41159.6 Ų159.642%0.42374%0.735SS.*SBendtrans-84.4-43179.600000115.1R318 D319G316-R318 PolarHBondContact O-N 2.69Å; G316-D319 PolarHBondContact O-N 3.16Å
317D48.2Very low45.5Very low151 Ų151159.6 Ų159.681%0.80773%0.734SS**THydrogen-bonded Turntrans-61.7-8.7-164.7-160.3-106.8000116
318R46.9Very low46.2Very low198 Ų198162.9 Ų162.975%0.74774%0.735SS**THydrogen-bonded Turntrans-88.1-30.6-176.6-161.7165.3-161.7167.26.9114.1G316 Y322G316-R318 PolarHBondContact O-N 2.69Å; R318-Y322 WeakPolarHBondContact O-CD2 3.46Å
319D45.2Very low46.4Very low110 Ų110162.1 Ų162.159%0.58873%0.733SS**THydrogen-bonded Turntrans-89-36.8-173.6-68.8-50.9000112.2G316 R321 Y322G316-D319 PolarHBondContact O-N 3.16Å; D319-R321 PolarHBondContact O-N 2.83Å; D319-Y322 PolarHBondContact O-N 3.3Å
320D48.5Very low46.5Very low121 Ų121159.6 Ų159.665%0.64773%0.729SS**Hα-helixtrans-54.1-19.8174.4-75.8-67.2000114.5
321R52.1Low46.7Very low210 Ų210165 Ų16579%0.79274%0.736SS**Hα-helixtrans-78.4-17.9178.8-150.9178.4-146.7-173.39.6113.7D319D319-R321 PolarHBondContact O-N 2.83Å
322Y42.9Very low47.2Very low155 Ų155167.5 Ų167.561%0.60873%0.733SS**Hα-helixtrans-93.5-49.2-178.1-72.3-83.9000111.8R318 D319 R324 R325R318-Y322 WeakPolarHBondContact O-CD2 3.46Å; D319-Y322 PolarHBondContact O-N 3.3Å; Y322-R324 PolarHBondContact O-N 3.33Å; Y322-R325 VanDerWaalsContact O-CB 3.24Å; Y322-R325 WeakPolarHBondContact O-CB 3.48Å; Y322-R325 PolarHBondContact O-N 3.06Å
323D50Low47.9Very low115 Ų115162.2 Ų162.262%0.61572%0.724SS**Hα-helixtrans-59.3-44.9-179.6-70.7-66.3000112.9R325 D326 D327D323-R325 PolarHBondContact O-N 3.37Å; D323-D326 PolarHBondContact O-N 3.47Å; D323-D327 PolarHBondContact O-N 2.95Å
324R51.2Low48.3Very low210 Ų210161 Ų16179%0.79272%0.724SS**Hα-helixtrans-59.5-13.9176.6-176173.5-76.8-174.3-1.1113.6Y322Y322-R324 PolarHBondContact O-N 3.33Å
325R47.8Very low48.8Very low197 Ų197158.7 Ų158.774%0.74372%0.723SS**Hα-helixtrans-87-33.2177.3-159.3177.7-161.6-145.93.5113.1Y322 D323Y322-R325 VanDerWaalsContact O-CB 3.24Å; Y322-R325 WeakPolarHBondContact O-CB 3.48Å; Y322-R325 PolarHBondContact O-N 3.06Å; D323-R325 PolarHBondContact O-N 3.37Å
326D44.9Very low49.6Very low100 Ų100157.3 Ų157.354%0.53572%0.724SS.*Hα-helixtrans-87.2-34.4-177.9-81.8-56.9000112.5D323 R328 R329 E330D323-D326 PolarHBondContact O-N 3.47Å; D326-R328 PolarHBondContact O-N 2.78Å; D326-R329 WeakPolarHBondContact O-CA 3.29Å; D326-R329 VanDerWaalsContact O-CB 3.23Å; D326-R329 WeakPolarHBondContact O-CB 3.45Å; D326-R329 PolarHBondContact O-N 3.45Å; D326-E330 PolarHBondContact O-N 2.82Å
327D45.8Very low50.3Low123 Ų123166.4 Ų166.466%0.65875%0.746SS**Hα-helixtrans-53.9-41.5171-78.1-40.8000112.1D323 R329D323-D327 PolarHBondContact O-N 2.95Å; D327-R329 PolarHBondContact O-N 2.97Å; D327-R329 VanDerWaalsContact O-N 3.12Å
328R51.2Low50.9Low221 Ų221165.1 Ų165.183%0.83475%0.746SS**Hα-helixtrans-70.3-6.2179-148.5-174.3-166.7-1515113.4D326D326-R328 PolarHBondContact O-N 2.78Å
329R48Very low51.9Low197 Ų197164.8 Ų164.874%0.74375%0.75SS**Hα-helixtrans-101.7-30.6-176.1-162.6170.6-170.8-99.3-2.9112.8D326 D327D326-R329 WeakPolarHBondContact O-CA 3.29Å; D326-R329 VanDerWaalsContact O-CB 3.23Å; D326-R329 WeakPolarHBondContact O-CB 3.45Å; D326-R329 PolarHBondContact O-N 3.45Å; D327-R329 PolarHBondContact O-N 2.97Å; D327-R329 VanDerWaalsContact O-N 3.12Å
330E47.1Very low52.7Low179 Ų179166.5 Ų166.584%0.83676%0.758SS**Hα-helixtrans-86.7-25.4-176.7-63.2-159.2139.900114.2D326 R332D326-E330 PolarHBondContact O-N 2.82Å; E330-R332 VanDerWaalsContact C-N 3.32Å; E330-R332 PolarHBondContact O-N 2.75Å
331E43.9Very low53.4Low181 Ų181167.9 Ų167.985%0.84677%0.765SS**SBendtrans-72.5-21-178.9-157.2-178.4-161.200113.7A333E331-A333 PolarHBondContact O-N 3.33Å
332R52.1Low53.9Low224 Ų224164.6 Ų164.685%0.84576%0.763SS**  trans-8965-173.5-157.9174.3-172.51773.2113.7E330E330-R332 VanDerWaalsContact C-N 3.32Å; E330-R332 PolarHBondContact O-N 2.75Å
333A56.8Low55.4Low74 Ų74166.3 Ų166.361%0.61277%0.774SS**  trans-55.4138.6161.800000110.5E331 Q335E331-A333 PolarHBondContact O-N 3.33Å; A333-Q335 PolarHBondContact O-N 2.87Å
334P53.1Low56.3Low119 Ų119166.6 Ų166.677%0.77378%0.782SS**  trans-71.5106.6-172.327.2-34.3000111.5Q336P334-Q336 PolarHBondContact O-N 3.36Å; P334-Q336 VanDerWaalsContact O-N 3.12Å
335Q58.8Low56Low190 Ų190168.1 Ų168.189%0.88879%0.787SS**  trans-61113.4170.9-69.8-178.3-14.500109.8A333 R337A333-Q335 PolarHBondContact O-N 2.87Å; Q335-R337 PolarHBondContact O-N 2.84Å
336Q58.2Low56.3Low187 Ų187164.1 Ų164.187%0.87479%0.79SS**PPolyproline II helixtrans-69.2126.2178.9-65.2-176.23.200110P334P334-Q336 PolarHBondContact O-N 3.36Å; P334-Q336 VanDerWaalsContact O-N 3.12Å
337R63.2Low56.6Low232 Ų232165 Ų16588%0.87580%0.798SS**PPolyproline II helixtrans-59.4139.8173.9-71.8-179.4169.5-169.3-5.1110.4Q335 K339Q335-R337 PolarHBondContact O-N 2.84Å; R337-K339 PolarHBondContact O-N 2.68Å
338P61.3Low56.8Low125 Ų125165.3 Ų165.381%0.81281%0.807SS**PPolyproline II helixtrans-60.7135.1175.925.5-33.6000110.5L340P338-L340 PolarHBondContact O-N 3.15Å
339K68.1Low56.2Low191 Ų191162 Ų16283%0.8380%0.799SS**  trans-67114.7-177.9-81.8175.2174.5171.90110.8R337 N341R337-K339 PolarHBondContact O-N 2.68Å; K339-N341 PolarHBondContact O-N 2.73Å; K339-N341 VanDerWaalsContact O-N 3.13Å
340L61.7Low55.8Low145 Ų145159.8 Ų159.876%0.75980%0.797SS**  trans-68.7104.4168.7-176.468.1000109.1P338 L342P338-L340 PolarHBondContact O-N 3.15Å; L340-L342 VanDerWaalsContact C-N 3.3Å; L340-L342 HydrophobicContact CB-CD1 4.47Å; L340-L342 HydrophobicContact CD2-CD1 3.77Å; L340-L342 HydrophobicContact CD2-CG 4.4Å; L340-L342 HydrophobicContact CG-CD1 3.96Å; L340-L342 PolarHBondContact O-N 3.06Å
341N63.8Low55.4Low150 Ų150160.6 Ų160.680%0.80280%0.801SS**  trans-74.882.7174.1-70.2-31.7000109.8K339 K343K339-N341 PolarHBondContact O-N 2.73Å; K339-N341 VanDerWaalsContact O-N 3.13Å; N341-K343 PolarHBondContact O-N 2.65Å
342L61.2Low54.9Low141 Ų141160.6 Ų160.674%0.73880%0.801SS**PPolyproline II helixtrans-61.3121.1165-75.699000108.5L340L340-L342 VanDerWaalsContact C-N 3.3Å; L340-L342 HydrophobicContact CB-CD1 4.47Å; L340-L342 HydrophobicContact CD2-CD1 3.77Å; L340-L342 HydrophobicContact CD2-CG 4.4Å; L340-L342 HydrophobicContact CG-CD1 3.96Å; L340-L342 PolarHBondContact O-N 3.06Å
343K74.2Confident53.9Low192 Ų192153.4 Ų153.484%0.83580%0.796SS**PPolyproline II helixtrans-56.8136.8163.2-66.4179.1-179.91780107.6N341 R345N341-K343 PolarHBondContact O-N 2.65Å; K343-R345 PolarHBondContact O-N 3.34Å
344P69.4Low52.6Low121 Ų121157.3 Ų157.379%0.78681%0.807SS**PPolyproline II helixtrans-57.5132.3-177.323.4-33.3000109.7S346P344-S346 PolarHBondContact O-N 3.41Å
345R46.1Very low51.5Low241 Ų241156.2 Ų156.291%0.90980%0.802SS**PPolyproline II helixtrans-54.7135.2164.6-93.5179.5160.8141.8-5.4107.8K343 V347K343-R345 PolarHBondContact O-N 3.34Å; R345-V347 PolarHBondContact O-N 3.28Å; R345-V347 VanDerWaalsContact O-N 3.13Å
346S52.8Low50.2Low114 Ų114152.8 Ų152.880%0.79780%0.799SS**PPolyproline II helixtrans-49.9118.5176.4470000110.5P344P344-S346 PolarHBondContact O-N 3.41Å
347V51.6Low48.9Very low118 Ų118147.7 Ų147.772%0.71580%0.796SS**PPolyproline II helixtrans-50.9142.5158.1177.80000107.6R345 K349R345-V347 PolarHBondContact O-N 3.28Å; R345-V347 VanDerWaalsContact O-N 3.13Å; V347-K349 PolarHBondContact O-N 3.31Å
348P50.7Low47.4Very low129 Ų129139.8 Ų139.884%0.83879%0.788SS**  trans-59.1105.2167.625.8-34.1000109.2
349K38.6Very low46Very low151 Ų151140.8 Ų140.866%0.65779%0.792SS**  trans-108.1136.6160.8-132.6-160.4173.9-157.30104V347V347-K349 PolarHBondContact O-N 3.31Å
350E39.2Very low44.4Very low152 Ų152137 Ų13771%0.7179%0.789SS**  cis-143.4146.924.6-71.1150.9177.300110.5
351E37.8Very low43.8Very low196 Ų196136 Ų13692%0.91679%0.792SS**  -143.5100.6126.1-73.6-159.1163.700107.2
352E35.1Very low42.2Very low181 Ų181133.7 Ų133.785%0.84679%0.793SS**  trans-82.2114.7157.8-79.6-165-15400107.7
353G30.4Very low41.1Very low73 Ų73133.7 Ų133.775%0.75380%0.798SS**  trans-155.861.4-17400000110.6
354N30Very low40Very low155 Ų155129.9 Ų129.983%0.82979%0.793SS**  trans-73.8151.8174.6-162.645.6000110.6
355S29.5Very low39Very low96 Ų96129.5 Ų129.567%0.67179%0.791SS**SBendtrans78110.716875.70000119.7
356S31.7Very low38.5Very low119 Ų119123.2 Ų123.283%0.83278%0.784SS**  trans38.8112.6132.2600000120.9
357G29.6Very low37.8Very low79 Ų79123.7 Ų123.781%0.81479%0.787SS**  trans172.6102.9155.900000116.2
358G32.4Very low36.9Very low67 Ų67122 Ų12269%0.69179%0.794SS**  trans72.7110.6141.400000121.3
359T33.1Very low36.8Very low146 Ų146119.2 Ų119.290%0.89679%0.789SS**  trans61.7117.4134.359.50000121.7
360S32.9Very low37Very low112 Ų112123.2 Ų123.278%0.78380%0.8SS**  trans-49.6164.1145.7-44.20000112.3
361P49.5Very low37.3Very low124 Ų124122.4 Ų122.481%0.80581%0.81SS**  cis-148.5-169.828.142.4-20.7000118
362A30.6Very low37.9Very low100 Ų100117.2 Ų117.283%0.82680%0.796SS**  trans97.5144.9153.400000121.1
363V37.7Very low38.9Very low141 Ų141113.5 Ų113.586%0.85579%0.79SS**  trans-123168.5176.2-136.20000105.5
364P50.7Low40.4Very low113 Ų113117.9 Ų117.973%0.73479%0.794SS**  cis-138.4-143.52.446.5-25.4000111.6
365P49.6Very low41.7Very low113 Ų113119 Ų11973%0.73479%0.792SS**  cis-124.1177.1-32.933.9-15.1000115
366S36.2Very low42.8Very low108 Ų108117.5 Ų117.576%0.75579%0.791SS**  trans-18.8133.6166.4580000121.5
367S36.3Very low44Very low124 Ų124116 Ų11687%0.86780%0.795SS**  174.6117.5105.458.30000112.1
368G34.3Very low45.4Very low84 Ų84116.5 Ų116.587%0.86679%0.792SS**  trans-110.2119.9172.500000111.1
369G47.5Very low47.2Very low70 Ų70122.2 Ų122.272%0.72280%0.797SS**  trans-84.3159.1172.400000112.5
370R43.1Very low48.8Very low235 Ų235120.9 Ų120.989%0.88779%0.791SS**  trans171.1102.9150.1-98.6159.3167.8-151.5-7111.6S372R370-S372 VanDerWaalsContact C-N 3.26Å; R370-S372 PolarHBondContact O-N 3.01Å
371S45.8Very low50.2Low134 Ų134121.2 Ų121.294%0.93779%0.788SS**  trans-85.167.6159.146.10000109.9S373S371-S373 PolarHBondContact O-N 2.96Å
372S49.8Very low51Low88 Ų88121.2 Ų121.262%0.61578%0.781SS**  trans-84.1105.618054.50000112.2R370R370-S372 VanDerWaalsContact C-N 3.26Å; R370-S372 PolarHBondContact O-N 3.01Å
373S55.6Low52.8Low102 Ų102120.8 Ų120.871%0.71377%0.769SS**  trans29.688.4151.7-150.50000117.1S371 F375S371-S373 PolarHBondContact O-N 2.96Å; S373-F375 VanDerWaalsContact C-N 3.33Å; S373-F375 PolarHBondContact OG-O 3.19Å
374I62.8Low54.3Low165 Ų165117.3 Ų117.385%0.84676%0.755SS**SBendtrans-72.7-26.1175.3-68.7175.5000112.2
375F57.2Low55.3Low180 Ų180115.1 Ų115.179%0.78975%0.746SS**SBendtrans-89.2117.1166.3-68.4-81.9000108.8S373S373-F375 VanDerWaalsContact C-N 3.33Å; S373-F375 PolarHBondContact OG-O 3.19Å
376G53.7Low56.6Low63 Ų63115.5 Ų115.565%0.64974%0.736SS**  trans-59.8153.816800000110.2A378G376-A378 PolarHBondContact O-N 3.28Å
377G55.8Low58.5Low88 Ų88116.1 Ų116.191%0.90773%0.727SS**  trans-67.159.1-166.100000116.8K379G377-K379 PolarHBondContact O-N 3.03Å
378A59.4Low60.6Low90 Ų90119.3 Ų119.374%0.74472%0.72SS**PPolyproline II helixtrans-66.8119.416000000108.1G376G376-A378 PolarHBondContact O-N 3.28Å
379K69.2Low63Low187 Ų187120.5 Ų120.581%0.81370%0.703SS**PPolyproline II helixtrans-61.1136.3167.5-66.1177.6177.1-179.70107.7G377 V381G377-K379 PolarHBondContact O-N 3.03Å; K379-V381 PolarHBondContact O-N 2.82Å
380P67.8Low64.8Low117 Ų117121.2 Ų121.276%0.7669%0.693SS**PPolyproline II helixtrans-57.4132.2174.425.3-33.2000108.9
381V62.6Low66.7Low120 Ų120116.2 Ų116.273%0.72768%0.68SS**PPolyproline II helixtrans-77127.9170.2177.10000106.6K379 T383K379-V381 PolarHBondContact O-N 2.82Å; V381-T383 VanDerWaalsContact C-N 3.3Å; V381-T383 PolarHBondContact O-N 2.87Å
382D66Low68.7Low123 Ų123116.3 Ų116.366%0.65867%0.666SS**  trans-68.185-179.6-67.7-51.4000111A384 A385 K386D382-A384 PolarHBondContact O-N 3.03Å; D382-A385 HydrophobicContact CB-CB 4.17Å; D382-A385 WeakPolarHBondContact O-CB 3.3Å; D382-A385 PolarHBondContact O-N 2.95Å; D382-K386 PolarHBondContact O-N 3.22Å
383T68.3Low70.3Confident92 Ų92121.5 Ų121.556%0.56467%0.672SS**Hα-helixtrans-56.2-35.7179.754.80000111.7V381 A385 K386 E387V381-T383 VanDerWaalsContact C-N 3.3Å; V381-T383 PolarHBondContact O-N 2.87Å; T383-A385 VanDerWaalsContact C-N 3.28Å; T383-A385 PolarHBondContact O-N 2.98Å; T383-K386 CarbonylContact O-C 3.58Å; T383-K386 WeakPolarHBondContact O-CB 3.08Å; T383-K386 PolarHBondContact O-N 3.44Å; T383-K386 VanDerWaalsContact O-N 3.08Å; T383-E387 WeakPolarHBondContact O-CB 3.19Å; T383-E387 WeakPolarHBondContact O-CG 3.43Å; T383-E387 PolarHBondContact O-N 3.37Å
384A69.6Low71.8Confident68 Ų68121.4 Ų121.456%0.56266%0.663SS**Hα-helixtrans-62.7-28.8176.500000114.3D382 R388D382-A384 PolarHBondContact O-N 3.03Å; A384-R388 PolarHBondContact O-N 3.08Å
385A71.8Confident73Confident67 Ų67120.5 Ų120.555%0.55465%0.653SS**Hα-helixtrans-77.2-38.1173.300000110.8D382 T383 E389D382-A385 HydrophobicContact CB-CB 4.17Å; D382-A385 WeakPolarHBondContact O-CB 3.3Å; D382-A385 PolarHBondContact O-N 2.95Å; T383-A385 VanDerWaalsContact C-N 3.28Å; T383-A385 PolarHBondContact O-N 2.98Å; A385-E389 PolarHBondContact O-N 3.06Å
386K75.4Confident74.7Confident120 Ų120118.6 Ų118.652%0.52264%0.644SS.*Hα-helixtrans-68.6-39.7178.1-157.473.2-169.6151.50112.6D382 T383 E389 V390D382-K386 PolarHBondContact O-N 3.22Å; T383-K386 CarbonylContact O-C 3.58Å; T383-K386 WeakPolarHBondContact O-CB 3.08Å; T383-K386 PolarHBondContact O-N 3.44Å; T383-K386 VanDerWaalsContact O-N 3.08Å; K386-E389 IonicContact NZ-OE1 3.15Å; K386-E389 IonicContact NZ-OE2 2.73Å; K386-E389 PolarHBondContact NZ-OE2 2.79Å; K386-E389 PolarHBondContact O-N 3.38Å; K386-V390 WeakPolarHBondContact O-CG2 3.47Å; K386-V390 PolarHBondContact O-N 3.21Å; K386-V390 VanDerWaalsContact O-N 3.12Å
387E77.3Confident76.2Confident122 Ų122121.5 Ų121.557%0.5764%0.641SS**Hα-helixtrans-67.3-40.3177.1-75.4173.7148.900111.4T383 E389 V390 E391T383-E387 WeakPolarHBondContact O-CB 3.19Å; T383-E387 WeakPolarHBondContact O-CG 3.43Å; T383-E387 PolarHBondContact O-N 3.37Å; E387-E389 PolarHBondContact O-N 3.15Å; E387-V390 CarbonylContact O-C 3.6Å; E387-V390 WeakPolarHBondContact O-CB 3.4Å; E387-V390 PolarHBondContact O-N 3.24Å; E387-V390 VanDerWaalsContact O-N 3.12Å; E387-E391 WeakPolarHBondContact O-CG 3.2Å; E387-E391 PolarHBondContact O-N 3.18Å
388R80.1Confident77.7Confident191 Ų191123 Ų12372%0.72162%0.624SS**Hα-helixtrans-62.8-37.7172.9-81.1-172.8170.3-174.7-1.6113.7A384 V390 E391 E392A384-R388 PolarHBondContact O-N 3.08Å; R388-V390 VanDerWaalsContact C-N 3.29Å; R388-V390 PolarHBondContact O-N 2.77Å; R388-E391 PolarHBondContact O-N 2.84Å; R388-E392 WeakPolarHBondContact O-CB 3.24Å; R388-E392 PolarHBondContact O-N 3.31Å
389E85.3Confident79Confident109 Ų109124.7 Ų124.751%0.50962%0.616SS.*Hα-helixtrans-62.4-38173.4-171.3-169.1177.600111.3A385 K386 E387 R393A385-E389 PolarHBondContact O-N 3.06Å; K386-E389 IonicContact NZ-OE1 3.15Å; K386-E389 IonicContact NZ-OE2 2.73Å; K386-E389 PolarHBondContact NZ-OE2 2.79Å; K386-E389 PolarHBondContact O-N 3.38Å; E387-E389 PolarHBondContact O-N 3.15Å; E389-R393 PolarHBondContact O-N 3.29Å; E389-R393 VanDerWaalsContact O-N 3.15Å
390V84.6Confident80Confident84 Ų84123.9 Ų123.951%0.50961%0.608SS.*Hα-helixtrans-71.5-45.5176.7171.30000111.6K386 E387 R388 R393 L394K386-V390 WeakPolarHBondContact O-CG2 3.47Å; K386-V390 PolarHBondContact O-N 3.21Å; K386-V390 VanDerWaalsContact O-N 3.12Å; E387-V390 CarbonylContact O-C 3.6Å; E387-V390 WeakPolarHBondContact O-CB 3.4Å; E387-V390 PolarHBondContact O-N 3.24Å; E387-V390 VanDerWaalsContact O-N 3.12Å; R388-V390 VanDerWaalsContact C-N 3.29Å; R388-V390 PolarHBondContact O-N 2.77Å; V390-R393 WeakPolarHBondContact O-CB 3.31Å; V390-R393 PolarHBondContact O-N 2.98Å; V390-L394 PolarHBondContact O-N 3.01Å
391E83.3Confident80.9Confident131 Ų131123 Ų12361%0.61260%0.596SS**Hα-helixtrans-61.2-43.1176-73.9178.516900112E387 R388 R393 L394 K395E387-E391 WeakPolarHBondContact O-CG 3.2Å; E387-E391 PolarHBondContact O-N 3.18Å; R388-E391 PolarHBondContact O-N 2.84Å; E391-R393 VanDerWaalsContact C-N 3.33Å; E391-R393 PolarHBondContact O-N 2.9Å; E391-L394 PolarHBondContact O-N 3.4Å; E391-K395 VanDerWaalsContact O-CB 3.29Å; E391-K395 WeakPolarHBondContact O-CB 3.31Å; E391-K395 PolarHBondContact O-N 3.45Å
392E87.6Confident81.8Confident135 Ų135123.9 Ų123.963%0.63159%0.593SS**Hα-helixtrans-63.6-40175.5-168.2-173.8146.400111.1R388 K396R388-E392 WeakPolarHBondContact O-CB 3.24Å; R388-E392 PolarHBondContact O-N 3.31Å; E392-K396 WeakPolarHBondContact O-CB 3.33Å; E392-K396 PolarHBondContact O-N 3.49Å
393R84Confident82.7Confident198 Ų198126.4 Ų126.475%0.74759%0.593SS**Hα-helixtrans-62.7-45.7174.6-108.1-160.3172.5-138.80.7112.6E389 V390 E391 K396 E397E389-R393 PolarHBondContact O-N 3.29Å; E389-R393 VanDerWaalsContact O-N 3.15Å; V390-R393 WeakPolarHBondContact O-CB 3.31Å; V390-R393 PolarHBondContact O-N 2.98Å; E391-R393 VanDerWaalsContact C-N 3.33Å; E391-R393 PolarHBondContact O-N 2.9Å; R393-K396 PolarHBondContact O-N 2.98Å; R393-E397 PolarHBondContact O-N 3.32Å
394L85.8Confident83.4Confident99 Ų99126.7 Ų126.752%0.51859%0.588SS.*Hα-helixtrans-65.1-46.2-178.7-138.3170.4000110.4V390 E391 K396 E397 E398V390-L394 PolarHBondContact O-N 3.01Å; E391-L394 PolarHBondContact O-N 3.4Å; L394-K396 VanDerWaalsContact C-N 3.31Å; L394-K396 PolarHBondContact O-N 3.46Å; L394-E397 WeakPolarHBondContact O-CB 3.42Å; L394-E397 PolarHBondContact O-N 3.26Å; L394-E397 VanDerWaalsContact O-N 3.08Å; L394-E398 HydrophobicContact CD2-CG 4.3Å; L394-E398 PolarHBondContact O-N 3.44Å
395K88.8Confident83.7Confident147 Ų147129.1 Ų129.164%0.63959%0.591SS**Hα-helixtrans-61.3-37.3175.7-174.7173.7179.8178.40112.9E391 E397 E398 E399E391-K395 VanDerWaalsContact O-CB 3.29Å; E391-K395 WeakPolarHBondContact O-CB 3.31Å; E391-K395 PolarHBondContact O-N 3.45Å; K395-E397 VanDerWaalsContact C-N 3.31Å; K395-E398 PolarHBondContact O-N 3.11Å; K395-E399 WeakPolarHBondContact O-CB 3.08Å; K395-E399 PolarHBondContact O-N 3.38Å
396K92Very high84Confident139 Ų139132.5 Ų132.560%0.60460%0.595SS**Hα-helixtrans-70.8-26.5175.8-170.4169.2-168.8161.70112.9E392 R393 L394 R400E392-K396 WeakPolarHBondContact O-CB 3.33Å; E392-K396 PolarHBondContact O-N 3.49Å; R393-K396 PolarHBondContact O-N 2.98Å; L394-K396 VanDerWaalsContact C-N 3.31Å; L394-K396 PolarHBondContact O-N 3.46Å; K396-R400 VanDerWaalsContact O-CB 3.3Å; K396-R400 WeakPolarHBondContact O-CB 3.46Å; K396-R400 PolarHBondContact O-N 3.29Å; K396-R400 VanDerWaalsContact O-N 3.15Å
397E86.5Confident84.2Confident124 Ų124129.9 Ų129.958%0.57959%0.589SS**Hα-helixtrans-76.8-41.7172.4-169.9159-153.100111.3R393 L394 K395 R400 L401R393-E397 PolarHBondContact O-N 3.32Å; L394-E397 WeakPolarHBondContact O-CB 3.42Å; L394-E397 PolarHBondContact O-N 3.26Å; L394-E397 VanDerWaalsContact O-N 3.08Å; K395-E397 VanDerWaalsContact C-N 3.31Å; E397-R400 PolarHBondContact O-N 2.94Å; E397-L401 WeakPolarHBondContact O-CG 3.13Å; E397-L401 PolarHBondContact O-N 3.43Å
398E85.5Confident83.9Confident121 Ų121128.5 Ų128.557%0.56559%0.586SS**Hα-helixtrans-59.8-47.4170-70.5-175.3148.800112.2L394 K395 R400 L401 Q402L394-E398 HydrophobicContact CD2-CG 4.3Å; L394-E398 PolarHBondContact O-N 3.44Å; K395-E398 PolarHBondContact O-N 3.11Å; E398-R400 VanDerWaalsContact C-N 3.29Å; E398-R400 PolarHBondContact O-N 3.41Å; E398-L401 PolarHBondContact O-N 3.13Å; E398-Q402 WeakPolarHBondContact O-CB 3.17Å; E398-Q402 PolarHBondContact O-N 3.12Å
399E88.7Confident83.6Confident124 Ų124127.6 Ų127.658%0.57959%0.587SS**Hα-helixtrans-60.5-39.7176.2-172.9-171.8162.500111.4K395 Q402 R403K395-E399 WeakPolarHBondContact O-CB 3.08Å; K395-E399 PolarHBondContact O-N 3.38Å; E399-Q402 PolarHBondContact O-N 3.32Å; E399-R403 VanDerWaalsContact O-CB 3.27Å; E399-R403 WeakPolarHBondContact O-CB 3.19Å; E399-R403 PolarHBondContact O-N 2.92Å
400R89.9Confident82.7Confident171 Ų171127 Ų12765%0.64560%0.595SS**Hα-helixtrans-64.5-41.5175.7178.9-179172.8-174.1-3.1112K396 E397 E398 Q404K396-R400 VanDerWaalsContact O-CB 3.3Å; K396-R400 WeakPolarHBondContact O-CB 3.46Å; K396-R400 PolarHBondContact O-N 3.29Å; K396-R400 VanDerWaalsContact O-N 3.15Å; E397-R400 PolarHBondContact O-N 2.94Å; E398-R400 VanDerWaalsContact C-N 3.29Å; E398-R400 PolarHBondContact O-N 3.41Å; R400-Q404 WeakPolarHBondContact O-CG 3.09Å; R400-Q404 PolarHBondContact O-N 2.92Å
401L85.1Confident81.8Confident97 Ų97132.3 Ų132.351%0.50861%0.606SS.*Hα-helixtrans-66.6-43174.7-74.7169.8000111.3E397 E398 R403 Q404 L405E397-L401 WeakPolarHBondContact O-CG 3.13Å; E397-L401 PolarHBondContact O-N 3.43Å; E398-L401 PolarHBondContact O-N 3.13Å; L401-R403 VanDerWaalsContact C-N 3.33Å; L401-R403 PolarHBondContact O-N 3.04Å; L401-Q404 WeakPolarHBondContact O-CB 3.26Å; L401-Q404 PolarHBondContact O-N 2.99Å; L401-L405 WeakPolarHBondContact O-CG 3.24Å; L401-L405 PolarHBondContact O-N 3.38Å
402Q81.4Confident80.1Confident140 Ų140131.2 Ų131.265%0.65461%0.608SS**Hα-helixtrans-62.4-41.7177.3-164.5171.421.900111.3E398 E399 L405 E406E398-Q402 WeakPolarHBondContact O-CB 3.17Å; E398-Q402 PolarHBondContact O-N 3.12Å; E399-Q402 PolarHBondContact O-N 3.32Å; Q402-L405 PolarHBondContact O-N 3.25Å; Q402-E406 WeakPolarHBondContact O-CB 3.23Å; Q402-E406 PolarHBondContact O-N 3.05Å
403R85.6Confident78.2Confident176 Ų176130 Ų13066%0.66461%0.612SS**Hα-helixtrans-67.7-32.7174.2-169.8172.9-176.3-96.2-0.3113.1E399 L401 V407E399-R403 VanDerWaalsContact O-CB 3.27Å; E399-R403 WeakPolarHBondContact O-CB 3.19Å; E399-R403 PolarHBondContact O-N 2.92Å; L401-R403 VanDerWaalsContact C-N 3.33Å; L401-R403 PolarHBondContact O-N 3.04Å; R403-V407 VanDerWaalsContact O-CG2 3.3Å; R403-V407 WeakPolarHBondContact O-CG2 2.97Å; R403-V407 PolarHBondContact O-N 3.39Å; R403-V407 VanDerWaalsContact O-N 3.08Å
404Q82.5Confident76.3Confident97 Ų97128.6 Ų128.645%0.45361%0.614SS.*Hα-helixtrans-65.3-48.3169.7-81.6-178.8-32.500111R400 L401 E406 V407 D408R400-Q404 WeakPolarHBondContact O-CG 3.09Å; R400-Q404 PolarHBondContact O-N 2.92Å; L401-Q404 WeakPolarHBondContact O-CB 3.26Å; L401-Q404 PolarHBondContact O-N 2.99Å; Q404-E406 PolarHBondContact O-N 3.22Å; Q404-V407 PolarHBondContact O-N 2.88Å; Q404-V407 VanDerWaalsContact O-N 3.14Å; Q404-D408 PolarHBondContact O-N 3.12Å
405L77.8Confident74.1Confident119 Ų119135.2 Ų135.262%0.62363%0.632SS**Hα-helixtrans-58.7-36176-69.7171.6000112.3L401 Q402 K409L401-L405 WeakPolarHBondContact O-CG 3.24Å; L401-L405 PolarHBondContact O-N 3.38Å; Q402-L405 PolarHBondContact O-N 3.25Å; L405-K409 WeakPolarHBondContact O-CB 3.42Å; L405-K409 PolarHBondContact O-N 3.04Å
406E77.4Confident71.5Confident139 Ų139136.8 Ų136.865%0.6564%0.638SS**Hα-helixtrans-72.1-36.2177.5-157.5167.9-132.900112.6Q402 Q404 S410Q402-E406 WeakPolarHBondContact O-CB 3.23Å; Q402-E406 PolarHBondContact O-N 3.05Å; Q404-E406 PolarHBondContact O-N 3.22Å; E406-S410 WeakPolarHBondContact O-CB 3.41Å; E406-S410 PolarHBondContact O-N 3.37Å; E406-S410 PolarHBondContact O-OG 2.89Å
407V78.2Confident68.6Low64 Ų64138.9 Ų138.939%0.38865%0.653SS.*Hα-helixtrans-68.6-38.9171.4169.20000111.9R403 Q404 S410 R411R403-V407 VanDerWaalsContact O-CG2 3.3Å; R403-V407 WeakPolarHBondContact O-CG2 2.97Å; R403-V407 PolarHBondContact O-N 3.39Å; R403-V407 VanDerWaalsContact O-N 3.08Å; Q404-V407 PolarHBondContact O-N 2.88Å; Q404-V407 VanDerWaalsContact O-N 3.14Å; V407-S410 WeakPolarHBondContact CA-OG 3.41Å; V407-S410 PolarHBondContact O-OG 3.13Å; V407-S410 VanDerWaalsContact O-OG 3.08Å; V407-R411 WeakPolarHBondContact O-CB 3.49Å; V407-R411 WeakPolarHBondContact O-CG 3.47Å; V407-R411 PolarHBondContact O-N 3.11Å
408D71.3Confident66.1Low93 Ų93144.3 Ų144.350%0.49767%0.668SS.*Hα-helixtrans-72.5-37177.2-71.1-29000111.6Q404 S410 R411 V412Q404-D408 PolarHBondContact O-N 3.12Å; D408-S410 PolarHBondContact O-N 3.21Å; D408-R411 WeakPolarHBondContact O-CB 3.44Å; D408-R411 PolarHBondContact O-N 3.26Å; D408-R411 VanDerWaalsContact O-N 3.09Å; D408-V412 PolarHBondContact O-N 3.3Å
409K75.4Confident63.8Low172 Ų172145.6 Ų145.675%0.74868%0.679SS**Hα-helixtrans-71.7-27.9177.5-159.8157.5-172.3171.50113.1L405 R411L405-K409 WeakPolarHBondContact O-CB 3.42Å; L405-K409 PolarHBondContact O-N 3.04Å; K409-R411 VanDerWaalsContact C-N 3.34Å
410S65.4Low61.2Low96 Ų96151.3 Ų151.367%0.67170%0.695SS**THydrogen-bonded Turntrans-81.9-8.2168.553.50000114.1E406 V407 D408E406-S410 WeakPolarHBondContact O-CB 3.41Å; E406-S410 PolarHBondContact O-N 3.37Å; E406-S410 PolarHBondContact O-OG 2.89Å; V407-S410 WeakPolarHBondContact CA-OG 3.41Å; V407-S410 PolarHBondContact O-OG 3.13Å; V407-S410 VanDerWaalsContact O-OG 3.08Å; D408-S410 PolarHBondContact O-N 3.21Å
411R64.7Low58.6Low196 Ų196149.8 Ų149.874%0.7470%0.7SS**SBendtrans-93.5-5.1173.7-85.2178.9163.9-158.8-5.4115V407 D408 K409 P413V407-R411 WeakPolarHBondContact O-CB 3.49Å; V407-R411 WeakPolarHBondContact O-CG 3.47Å; V407-R411 PolarHBondContact O-N 3.11Å; D408-R411 WeakPolarHBondContact O-CB 3.44Å; D408-R411 PolarHBondContact O-N 3.26Å; D408-R411 VanDerWaalsContact O-N 3.09Å; K409-R411 VanDerWaalsContact C-N 3.34Å; R411-P413 VanDerWaalsContact O-CD 3.3Å; R411-P413 WeakPolarHBondContact O-CD 3.47Å
412V49.4Very low56.4Low109 Ų109151.5 Ų151.566%0.66172%0.717SS**SBendtrans-77.9115.7173.8-179.10000109.6D408D408-V412 PolarHBondContact O-N 3.3Å
413P46.7Very low54.2Low110 Ų110148.8 Ų148.871%0.71471%0.713SS**  trans-73.4138.1174.7-9.426.6000110R411 R415R411-P413 VanDerWaalsContact O-CD 3.3Å; R411-P413 WeakPolarHBondContact O-CD 3.47Å; P413-R415 PolarHBondContact O-N 3.27Å
414E44Very low51.7Low168 Ų168151.7 Ų151.779%0.78572%0.724SS**  trans-56.1105.1173.2-80-152.1149.300111.6
415R40.9Very low49.2Very low238 Ų238158.1 Ų158.190%0.89874%0.744SS**  trans-101.691.5155.2-95.2-178.2161.6148.7-4.3108.5P413 M417P413-R415 PolarHBondContact O-N 3.27Å; R415-M417 PolarHBondContact O-N 3.42Å
416K33.5Very low46.9Very low179 Ų179159.1 Ų159.178%0.77875%0.75SS**  trans-44.6112.4170.9-81.1169.3173.11660110.5
417M30.1Very low44.8Very low184 Ų184161.3 Ų161.391%0.90676%0.761SS**PPolyproline II helixtrans-69.8133.5161.3-75.7-171.4170.100107.9R415R415-M417 PolarHBondContact O-N 3.42Å
418R35.5Very low42.6Very low237 Ų237166.6 Ų166.689%0.89478%0.781SS**PPolyproline II helixtrans-70.4132.9-177.7-162.9173.5-162.21583.9109.5R420R418-R420 PolarHBondContact O-N 3.41Å
419D37Very low40.6Very low149 Ų149167.8 Ų167.880%0.79779%0.792SS**PPolyproline II helixtrans-52.2135.1-177.5-51.8-87.4000111.8
420R34.4Very low38.4Very low243 Ų243168 Ų16892%0.91780%0.796SS**  trans-129.2103.6171.3-163.9174.7-165.7169.24.5107.3R418R418-R420 PolarHBondContact O-N 3.41Å
421D33.9Very low36.6Very low139 Ų139168 Ų16874%0.74380%0.795SS**  trans-57.5135.1-166-67.8-72.7000114.1S423D421-S423 PolarHBondContact O-N 2.96Å; D421-S423 VanDerWaalsContact O-N 3.17Å
422P40.3Very low34.9Very low134 Ų134167.6 Ų167.687%0.8780%0.802SS**  trans-84.384.8171.834.6-32.2000109.7
423S35.1Very low33.8Very low82 Ų82174.6 Ų174.657%0.57382%0.816SS**  trans-110.8140.5166.763.50000110.9D421D421-S423 PolarHBondContact O-N 2.96Å; D421-S423 VanDerWaalsContact O-N 3.17Å
424W33Very low32.8Very low238 Ų238173.9 Ų173.990%0.90281%0.814SS**  trans74.962.7172-47.3100.7000117.6
425R28.5Very low32.1Very low231 Ų231176.5 Ų176.587%0.87282%0.817SS**  -97.9117.5129.7-172.4-177.9-149.6-93.9-2.4107.5
426N30.8Very low31.4Very low140 Ų140171.4 Ų171.475%0.74981%0.812SS**  trans-162.6120.5148.5-100.4-9.3000112.3
427E32.7Very low31Very low186 Ų186170.6 Ų170.687%0.86981%0.811SS**  trans55.8155154-66.2-164.5115.800124.2
428E31Very low31Very low175 Ų175166.9 Ų166.982%0.81880%0.803SS**  trans-102.6154.6-165.8-72.7169.892.300112.4
429T29.6Very low30.5Very low118 Ų118164.2 Ų164.272%0.72480%0.801SS**  trans42120.2146.262.20000120.5
430Q28.9Very low30Very low177 Ų177161.9 Ų161.983%0.82780%0.796SS**  -176.6142.797.8-99.4-171.79.300115.6
431S28.4Very low30Very low94 Ų94154.8 Ų154.866%0.65778%0.783SS**  trans38.911714863.50000123.2
432E28.9Very low29.9Very low189 Ų189156.7 Ų156.788%0.88379%0.788SS**  trans42.4110.5130.1-52.4-153.2141.200121.4
433R26.3Very low30Very low256 Ų256156.5 Ų156.597%0.96679%0.787SS**  -155.2164.1124.8-128.7168.8179.5156.8-1113.4
434S26.6Very low29.5Very low94 Ų94155.2 Ų155.266%0.65779%0.786SS**  trans-114.9160-161.158.50000114.2
435R28.8Very low29.4Very low224 Ų224149.2 Ų149.285%0.84578%0.78SS**  trans78.9153.6154.4-69.9171.7172.4171.9-2.1119.9
436T26.6Very low29.4Very low130 Ų130144.9 Ų144.980%0.79878%0.78SS**  trans72153.2169.170.30000116.7
437E24.1Very low29.3Very low162 Ų162143.7 Ų143.776%0.75778%0.782SS**  cis-176.7133.7-30.5-177.9169.2137.300106
438S30Very low29.1Very low106 Ų106138.4 Ų138.474%0.74178%0.778SS**  trans59.2176.7175.5-52.60000114
439E26.7Very low29.1Very low182 Ų182142.4 Ų142.485%0.8579%0.785SS**  cis-151156.311.444.1-166.565.300111.3
440S26.4Very low29.1Very low99 Ų99140 Ų14069%0.69279%0.785SS**  trans-77164.5167.354.80000110.1
441S33.8Very low29.4Very low94 Ų94136.3 Ų136.366%0.65778%0.778SS**  176.9140.561.5-44.90000112.7
442Q32.2Very low29.7Very low180 Ų180142.1 Ų142.184%0.84179%0.786SS**  trans59.5165.3131.5-75-158.6-21.400121
443P41.6Very low29.6Very low130 Ų130139.2 Ų139.284%0.84479%0.785SS**  cis-127.5174.523.940.6-22.7000116.5
444G25.5Very low29.9Very low54 Ų54135 Ų13556%0.55778%0.78SS**  cis175.1173.5-6.100000114
445S29.3Very low30Very low112 Ų112138.8 Ų138.878%0.78379%0.793SS**  trans65.8107.1153.3-65.90000124.1
446T28.6Very low30Very low140 Ų140131.5 Ų131.586%0.85979%0.789SS**  trans72.2146.1152.290.30000117.5
447S29.5Very low30.3Very low115 Ų115134.3 Ų134.380%0.80479%0.792SS**  cis-159.8153.35.359.80000112.4
448G28.4Very low30.5Very low75 Ų75137.4 Ų137.477%0.77380%0.797SS**  trans11294.9146.300000120.8
449R31Very low30.7Very low259 Ų259138.2 Ų138.298%0.97780%0.803SS**  trans5.3143.3151-64.4174.5166.7-165.4-4.1120.7
450G29.5Very low30.9Very low69 Ų69132.8 Ų132.871%0.71180%0.796SS**  cis146167-7.300000115.5
451S36Very low31.1Very low99 Ų99136.2 Ų136.269%0.69280%0.801SS**  trans68.6151.3170.1-63.90000118.6
452R33.7Very low30.9Very low216 Ų216139 Ų13982%0.81581%0.809SS**  cis-166.9156-21.1-111.5174.4-74.9162.31.1106.1
453C26.7Very low31Very low128 Ų128139 Ų13987%0.86581%0.808SS**  -174.7167.888-87.30000111.9
454L32.5Very low30.6Very low166 Ų166137.8 Ų137.887%0.86980%0.798SS**  trans-127.1157.6-175-68.9160.9000110.8
455D28.9Very low30.7Very low174 Ų174144.8 Ų144.893%0.9381%0.814SS**  trans-160.2146.4149.6-83.1-56.9000106.3
456G30.1Very low30.9Very low72 Ų72145 Ų14574%0.74282%0.815SS**  cis-174.9156.4-4.200000109.3
457E31.3Very low30.9Very low188 Ų188142 Ų14288%0.87981%0.813SS**  trans-100.6162.8-159.2-50.8171.3109.600116.8
458R29.5Very low31Very low228 Ų228148 Ų14886%0.8682%0.818SS**  trans157.3126.2138.7-84.2153.5-175.1-90.6-3.8111
459S34.7Very low31.2Very low122 Ų122153.2 Ų153.285%0.85382%0.822SS**  62.4127.468-46.40000113.1
460G30.6Very low31.2Very low68 Ų68144.5 Ų144.570%0.70181%0.813SS**  cis-143.3-144.8-6.800000108.9
461E30.8Very low31.3Very low171 Ų171148.8 Ų148.880%0.79982%0.819SS**  cis-176.3172.5-15.853.7-157.871.800109.3
462N28.7Very low30.9Very low154 Ų154149.1 Ų149.182%0.82482%0.821SS**  trans66.4130.2-170.78982.1000116.1
463E34.8Very low30.9Very low179 Ų179144.5 Ų144.584%0.83682%0.822SS**  cis98.6135.610.2-143.7-171.7-143.600117.7
464V32.2Very low32.1Very low105 Ų105144.5 Ų144.564%0.63682%0.821SS**  trans80.3101.6168-167.20000118.9
465F27.9Very low31.8Very low200 Ų200140.2 Ų140.288%0.87782%0.817SS**  -158.1143.3106.8-124.8-86.3000111.9
466S33.3Very low31.9Very low117 Ų117137.7 Ų137.782%0.81881%0.813SS**  trans-139.3153.7-178.6-53.70000111.6
467G29.6Very low32Very low78 Ų78139.6 Ų139.680%0.80482%0.815SS**  trans118.9150.2169.200000114.2
468R30.5Very low32.8Very low240 Ų240136.9 Ų136.991%0.90681%0.814SS**  cis-162.7156.9-3.1178.7168.1170-98.11109.9
469E33.5Very low33.1Very low185 Ų185136 Ų13686%0.86481%0.81SS**  trans-71.4167.9-177.3-53.5170.6105.100115.3
470G31Very low33.8Very low76 Ų76135.1 Ų135.178%0.78480%0.802SS**  trans175.866.9169.600000120.4
471N30.2Very low33.7Very low158 Ų158137 Ų13785%0.84580%0.8SS**  trans35.9128.8139.1-122.757.1000124.2
472S28.6Very low33.8Very low106 Ų106134.1 Ų134.174%0.74180%0.798SS**  141.5141.5125.3-580000117.2
473S32.9Very low33.8Very low119 Ų119131.7 Ų131.783%0.83280%0.8SS**  trans-100.4-167175.5-44.40000111.2
474P52.8Low33.5Very low128 Ų128126.8 Ų126.883%0.83180%0.797SS**  cis-147.2-1777.744.5-23.8000119.2
475G26.8Very low33.6Very low77 Ų77127.1 Ų127.179%0.79480%0.804SS**  trans109.1146.5155.500000116.6
476S29.7Very low33.7Very low121 Ų121122.2 Ų122.285%0.84680%0.795SS**  cis-159.6147.7-13.555.80000110.9
477S32.5Very low33.9Very low112 Ų112126.3 Ų126.378%0.78380%0.798SS**  trans-75.3177.6179.7-390000113.2
478P47.8Very low34.1Very low131 Ų131131.3 Ų131.385%0.85180%0.8SS**  -146.9167.558.538.4-16.8000118.9
479R35.5Very low35.3Very low210 Ų210124.8 Ų124.879%0.79279%0.789SS**  trans-128151.2162.4177.5-176.2-172.7-96.7-2108.2
480P49.4Very low35.5Very low103 Ų103122.8 Ų122.867%0.66978%0.783SS**  trans-128157.7148.219.70.8000111.5
481T29.4Very low35.8Very low108 Ų108127.8 Ų127.866%0.66378%0.783SS**  cis-163.2166.9-7.516.40000110
482S32Very low36.4Very low109 Ų109126.1 Ų126.176%0.76278%0.779SS**  trans4.1156.3151.859.10000121.4
483A29.8Very low37.3Very low104 Ų104129.1 Ų129.186%0.8678%0.783SS**  cis-167.4166.4-5.600000105.2
484G29.4Very low38.3Very low75 Ų75129.1 Ų129.177%0.77378%0.78SS**  cis123.385.617.100000110.8
485S33.4Very low38.4Very low113 Ų113127.6 Ų127.679%0.7978%0.778SS**  trans-168.9111.3158.852.20000115.1
486S29.8Very low40.1Very low97 Ų97129.4 Ų129.468%0.67878%0.776SS**  trans45.1136131.973.30000124.2
487K38.2Very low41.8Very low203 Ų203129 Ų12988%0.88377%0.77SS**  trans94.7121.3148.4-67.7162.9-178-179.50119.1
488E33.9Very low43.4Very low183 Ų183130 Ų13086%0.85577%0.774SS**  trans-73.1-169.9163.8-49.3171106.800111.5
489P55.5Low43.8Very low103 Ų103132.9 Ų132.967%0.66977%0.774SS**  -121.8-173.4-65.533.8-17.4000109.9
490L36.8Very low44.7Very low143 Ų143132.1 Ų132.175%0.74978%0.779SS**  trans161.4122.4131.7-85.8165.6000113.7
491K37.2Very low44.9Very low181 Ų181134.1 Ų134.179%0.78778%0.784SS**  trans65130.1138.8-78.8179.4-179.9171.70123.3
492V42.7Very low46.1Very low123 Ų123134.2 Ų134.275%0.74580%0.796SS**  trans74.5118.5139.8176.60000115.3
493M48Very low47Very low168 Ų168138.4 Ų138.483%0.82880%0.795SS**  -173.2156.264.4-147153.3-18000111.4
494P54.7Low48Very low120 Ų120137.3 Ų137.378%0.77979%0.785SS**PPolyproline II helixtrans-71.2147.5168.930.1-35.2000112.3
495A54Low48.9Very low95 Ų95143.5 Ų143.579%0.78579%0.791SS**PPolyproline II helixtrans-69142.8-171.500000113.9
496P62.5Low49.6Very low116 Ų116146.7 Ų146.775%0.75379%0.786SS**PPolyproline II helixtrans-72.6149.9172.830.8-34.7000111.8
497P64.7Low50.3Low111 Ų111147.4 Ų147.472%0.72179%0.791SS**PPolyproline II helixtrans-68.3148.3-179.628.6-35.2000112.1K499P497-K499 PolarHBondContact O-N 3.13Å
498P67.3Low50.4Low133 Ų133142.7 Ų142.786%0.86479%0.79SS**PPolyproline II helixtrans-65.4125.7179.127.5-34000110.5
499K54.7Low50.6Low193 Ų193140.5 Ų140.584%0.83979%0.788SS**PPolyproline II helixtrans-84.1148.8169.9-68179176177.40110P497P497-K499 PolarHBondContact O-N 3.13Å
500E54.6Low49.5Very low194 Ų194141.2 Ų141.291%0.90780%0.796SS**  trans90.4127.3164.5-50.3-167.8158.700118.5
501N53.5Low49.4Very low144 Ų144141.7 Ų141.777%0.7781%0.805SS**  trans-88.7124.6-169.9-71.2-41.1000112.3W503 A504N501-W503 PolarHBondContact O-N 3.41Å; N501-A504 PolarHBondContact O-N 3.39Å
502A54.9Low49.2Very low110 Ų110136.8 Ų136.891%0.90981%0.806SS**THydrogen-bonded Turntrans-64.5-0.2176.700000115.4
503W50.9Low48.9Very low198 Ų198136.5 Ų136.575%0.7581%0.81SS**THydrogen-bonded Turntrans-93.3-11.5-177.7-127.2-86.4000114.3N501 K505 R506N501-W503 PolarHBondContact O-N 3.41Å; W503-K505 PolarHBondContact O-N 3.35Å; W503-R506 VanDerWaalsContact CD1-NH1 3.3Å
504A50.7Low48.2Very low80 Ų80134.4 Ų134.466%0.66180%0.802SS**SBendtrans-82-0.5-170.400000115.8N501N501-A504 PolarHBondContact O-N 3.39Å
505K48.6Very low47.2Very low205 Ų205137.1 Ų137.189%0.89180%0.804SS**SBendtrans-115.164.7-179.2-71.4-173.1177.3177.20113.1W503W503-K505 PolarHBondContact O-N 3.35Å
506R48.9Very low46.2Very low181 Ų181136.5 Ų136.568%0.68381%0.807SS**SBendtrans-152.915.7160.868.1176.6-179.2-9315.5117.1W503W503-R506 VanDerWaalsContact CD1-NH1 3.3Å
507S43.9Very low44.9Very low111 Ų111140.9 Ų140.978%0.77682%0.817SS**SBendtrans-135.357.4-178.661.50000112.6
508A40.7Very low43.2Very low104 Ų104139 Ų13986%0.8682%0.818SS**  trans-15451.1174.500000112.6
509V38.6Very low41.7Very low137 Ų137144.7 Ų144.783%0.8382%0.823SS**  trans-148.397.4162.560.80000109.6
510S32.6Very low42.1Very low119 Ų119140.5 Ų140.583%0.83282%0.815SS**  trans174.358.7161-79.30000112
511T34.8Very low41.8Very low152 Ų152136.5 Ų136.593%0.93381%0.806SS**  trans-153.6124.2162.831.20000110.3
512G32.6Very low40.9Very low79 Ų79136.2 Ų136.281%0.81481%0.809SS**  trans147.9122.2177.700000112.1
513S35.8Very low40.1Very low117 Ų117136.4 Ų136.482%0.81880%0.804SS**  trans-124.7161.4-163.9-53.50000114.8
514N32.7Very low40.2Very low123 Ų123132.8 Ų132.866%0.65881%0.805SS**  trans81115.4152.1-86.431.8000124
515E35Very low39.2Very low178 Ų178135.6 Ų135.683%0.83281%0.814SS**  72.6131.4121.6-68168.7-177.200123.4
516G31.7Very low38.7Very low82 Ų82131.1 Ų131.185%0.84581%0.809SS**  trans154.2119.3164.600000114.5
517E34.9Very low38.8Very low207 Ų207128.5 Ų128.597%0.96782%0.815SS**  trans-91.4170.1-177.9-59.7-160.6134.600114.8
518G30.3Very low38.1Very low72 Ų72129.3 Ų129.374%0.74282%0.821SS**  trans151.424.9144.100000127
519R35.9Very low37.5Very low253 Ų253127.5 Ų127.596%0.95581%0.812SS**  trans62170.8154.3-89.1-171.2-177.9-106.1-1.9120.4
520P61.7Low37.2Very low105 Ų105127.4 Ų127.468%0.68282%0.818SS**  trans-111.1-171.1-140.445.7-40.6000116.4
521P49.9Very low37.1Very low109 Ų109126.2 Ų126.271%0.70882%0.815SS**  -157.1178.296.244.5-25.9000119.3
522V33.3Very low38.4Very low139 Ų139124.5 Ų124.584%0.84281%0.806SS**  trans71.3131.1158-55.70000124.8
523S38.1Very low39.3Very low114 Ų114126.8 Ų126.880%0.79781%0.807SS**  trans-100.2171.2160-25.60000109.8
524P53Low39.2Very low121 Ų121129.4 Ų129.479%0.78680%0.804SS**  -155.8161.468.740.7-20.3000118.5
525V30.5Very low39.1Very low139 Ų139132.5 Ų132.584%0.84281%0.812SS**  154.6134.2118.278.40000112.7
526S38.1Very low38.9Very low112 Ų112129.2 Ų129.278%0.78381%0.808SS**  trans-121.4-176.9175.1-38.50000107.7
527P50.8Low39.3Very low125 Ų125130.9 Ų130.981%0.81281%0.807SS**  cis-151.1-16828.244-21.3000117.9
528S29Very low39.8Very low129 Ų129127.2 Ų127.290%0.90280%0.801SS**  trans108.3124.3164.2-160.70000114.9
529G28.8Very low39.8Very low66 Ų66129 Ų12968%0.6880%0.802SS**  cis179.6147.1-5.500000113.9
530S32.7Very low39.6Very low135 Ų135122.8 Ų122.894%0.94480%0.797SS**  trans65.4141167.7-700000121.1
531A30.1Very low38.1Very low93 Ų93121.1 Ų121.177%0.76980%0.799SS**  trans-132.8-145.6-179.900000110.9
532P62.5Low37.3Very low116 Ų116122.9 Ų122.975%0.75380%0.803SS**  -111.2-161.6-125.937-16.6000113.2
533P50.3Low37.3Very low127 Ų127122.2 Ų122.283%0.82579%0.79SS**  -152.5-175.99039.7-19.7000116.8
534K34.6Very low37Very low173 Ų173127.3 Ų127.375%0.75279%0.792SS**  trans-94.3161.2176.8-54.6165.6179.5175.30111.2
535F30.9Very low35.8Very low188 Ų188125.6 Ų125.683%0.82580%0.796SS**  158.1151.5114.9-93-71.3000116.1
536S30Very low36Very low108 Ų108125 Ų12576%0.75580%0.798SS**  trans66.3126.3149.3480000122.8
537S39.3Very low35.8Very low117 Ų117123 Ų12382%0.81880%0.795SS**  trans-71.6160.6153.3-34.10000111.9
538P45.5Very low34.9Very low131 Ų131126.4 Ų126.485%0.85180%0.797SS**  -139.9178.5128.638-24.6000114.6
539S30.7Very low35.3Very low108 Ų108126.8 Ų126.876%0.75579%0.789SS**  trans-104.5177.7-170.254.30000115.4
540S32.8Very low35.9Very low123 Ų123132.5 Ų132.586%0.8680%0.798SS**  trans98.1148.5154.4770000118.9
541G29.2Very low36Very low70 Ų70132.6 Ų132.672%0.72279%0.788SS**  trans145.638.4170.500000120.5
542D32.8Very low36.2Very low146 Ų146138.3 Ų138.378%0.78180%0.795SS**  trans42143.1139.1-76.5-90.2000127.8
543E32.9Very low35Very low125 Ų125136.6 Ų136.658%0.58479%0.791SS**  trans76.2105.1132.9-75.9-103.281.900123.5
544R32.8Very low34.3Very low222 Ų222138.8 Ų138.884%0.83880%0.796SS**  148.6141.7100.6-94.6163.8-166.3-121.2-7.6116.5
545G28.8Very low34.2Very low84 Ų84133.7 Ų133.787%0.86679%0.793SS**  trans161.897.5163.300000113.5
546S34.1Very low34.4Very low126 Ų126130.2 Ų130.288%0.88179%0.787SS**  trans-124.7137.9-170.51770000114.1
547G33.4Very low34.6Very low70 Ų70133.8 Ų133.872%0.72278%0.784SS**  trans94.9123.7138.600000119.6
548K32.5Very low34.3Very low198 Ų198137.5 Ų137.586%0.86178%0.78SS**  -169.9136109.4-119.9179.5173.8-173.20114.7
549D35.8Very low33.6Very low136 Ų136137.2 Ų137.273%0.72777%0.771SS**  trans-72.4158.8161.1-101.7-98.1000111.8
550E42.6Very low33.7Very low186 Ų186143.3 Ų143.387%0.86978%0.778SS**  -166.5150.8124.3-109166.4-157.300114.3
551N35.6Very low33.5Very low138 Ų138141.4 Ų141.474%0.73878%0.777SS**  trans-94.6154.6-166.6-117.6-73.3000113.6
552K32.5Very low33.8Very low212 Ų212142.7 Ų142.792%0.92278%0.781SS**  trans-161.3144.6131.3-122.3161.3-175.4166.20114.8
553A38Very low34.6Very low81 Ų81141.3 Ų141.367%0.66978%0.78SS**  trans-139.4152.7-175.700000111.3
554D35Very low34.8Very low172 Ų172146 Ų14692%0.9279%0.793SS**  trans-160.5137.9155.9-92.9-56.4000104.5
555G32.7Very low34.7Very low67 Ų67141.9 Ų141.969%0.69179%0.792SS**  cis121.5140.116.300000109.2
556V35.8Very low34.9Very low114 Ų114149.6 Ų149.669%0.69180%0.795SS**  cis-173.7161.4-1074.70000108.8
557R33.8Very low34.6Very low184 Ų184147.4 Ų147.469%0.69479%0.793SS**  trans72153163.6-61.3163.3-150.6-86.7-6.3117.7
558R33.3Very low34.6Very low194 Ų194147.6 Ų147.673%0.73280%0.795SS**  cis-164.6143.4-12.6-115.6175.9-177.3177.6-0.8112.6
559D30.9Very low35.4Very low126 Ų126144.4 Ų144.467%0.67479%0.794SS**  trans44.6135.6132.4-84.9-85.1000126.1
560R33Very low35.3Very low235 Ų235142.8 Ų142.889%0.88780%0.8SS**  trans78.8126.7146-68.9174.2-159.5179.23.8122
561G27.2Very low34.9Very low83 Ų83137.2 Ų137.286%0.85679%0.792SS**  143113.1125.700000117.4
562A35.9Very low35.4Very low97 Ų97137.4 Ų137.480%0.80280%0.801SS**  trans-119.1143149.600000106.8
563P50.4Low35.3Very low118 Ų118131 Ų13177%0.76680%0.795SS**  -154.2162.582.139.6-20.3000117.9
564R37Very low35.4Very low224 Ų224132.1 Ų132.185%0.84580%0.804SS**  trans25.8152.3142.1-5517573.8-167.14.3122.5
565T29.8Very low35.2Very low135 Ų135127.7 Ų127.783%0.82880%0.799SS**  trans84.7152.6162.877.40000116.1
566R32.5Very low35.3Very low246 Ų246136.5 Ų136.593%0.92881%0.812SS**  cis-172.2131.7-25.7167.6-173.9-174.4-1722.8106.5
567G29Very low35Very low80 Ų80134.9 Ų134.983%0.82582%0.818SS**  trans166.5112.8169.900000115.3
568G33.6Very low35Very low74 Ų74138.1 Ų138.176%0.76383%0.83SS**  trans-107.3174.1158.300000109.9
569P49.5Very low34.8Very low130 Ų130132.1 Ų132.184%0.84483%0.828SS**  -141.5153.7119.236.7-24000116
570A32.4Very low34.8Very low103 Ų103135.4 Ų135.485%0.85184%0.84SS**  trans17137149.700000122.6
571G34Very low34.6Very low69 Ų69131 Ų13171%0.71184%0.838SS**  trans-92.8-165.3161.500000113.8
572P46.8Very low35.7Very low142 Ų142132.4 Ų132.492%0.92283%0.833SS**  -133.8172.3116.538.9-30000111.1
573G31.7Very low35.6Very low77 Ų77134.1 Ų134.179%0.79483%0.828SS**  cis-170.2164.1-0.100000109.5
574A38.5Very low35Very low105 Ų105136.6 Ų136.687%0.86883%0.827SS**PPolyproline II helixtrans-92.3144.8-161.800000116.5
575G30.9Very low34.9Very low79 Ų79131.4 Ų131.481%0.81482%0.816SS**PPolyproline II helixtrans-102.1146.3152.300000110.1
576R34.6Very low35.2Very low252 Ų252135.7 Ų135.795%0.95182%0.817SS**PPolyproline II helixtrans-103.5143-160.9-61.3172.6177.4-109.32.4113.9
577G30.1Very low35.1Very low80 Ų80133.1 Ų133.183%0.82581%0.813SS**  trans-166.2107.1163.200000112
578R33.5Very low35.4Very low252 Ų252137.3 Ų137.395%0.95181%0.808SS**  trans-75.3156.6169.2-64.3173.4177.3-108.56.6108.6
579G30.1Very low35.2Very low67 Ų67141.1 Ų141.169%0.69181%0.806SS**  cis120.3115.911.800000111
580E29.7Very low34.5Very low196 Ų196138.9 Ų138.992%0.91680%0.798SS**  trans73.5106.7163.2-53.5-163124.600120.4
581V30Very low34.6Very low141 Ų141140.7 Ų140.786%0.85579%0.794SS**  trans-77.1154.2144.4-84.50000110.7
582P48.8Very low34.7Very low113 Ų113148.9 Ų148.973%0.73480%0.803SS**  trans-136.7134.7137.835.8-23.7000115.3
583N35.6Very low34.2Very low133 Ų133150.4 Ų150.471%0.71180%0.795SS**  trans56.7113.1142.3-90.6-62.7000122.2
584K36.5Very low34.4Very low170 Ų170152.2 Ų152.274%0.73979%0.787SS**  86.5140.1116.3-95.7177.4-174.9174.30123.2
585D35.4Very low34Very low115 Ų115154.4 Ų154.462%0.61578%0.784SS**  trans89.9103.6140.5-80.4-52.1000121.2
586R35.7Very low33.9Very low225 Ų225158.9 Ų158.985%0.84978%0.781SS**  93146.6128.6-67.6168.7176.9-168.1-6.5121.7
587K31.2Very low33.9Very low192 Ų192156.3 Ų156.384%0.83577%0.771SS**  trans92.696.3141.1-106.8-178.1172.5-172.50119.5
588K34.1Very low34.1Very low169 Ų169158 Ų15874%0.73576%0.761SS**  41.3130.9109.1-152.3-159.6-172.9-147.40118.8
589E30.4Very low34.2Very low154 Ų154152.1 Ų152.172%0.7276%0.759SS**  trans119.1148.5133.1-149147.9-109.100118.4
590A33.6Very low34.6Very low82 Ų82160.3 Ų160.368%0.67877%0.769SS**  trans83108.816000000122.3
591D35.8Very low35.6Very low141 Ų141156.5 Ų156.575%0.75476%0.761SS**  47.7130.5129.3-82.8-102.6000124.8
592R36.4Very low36.5Very low242 Ų242155.4 Ų155.491%0.91376%0.757SS**  -171.3109.2114.9-98152.3-169.9159.94.5115.3
593K35.2Very low36.5Very low174 Ų174156.1 Ų156.176%0.75776%0.762SS**  trans39.2126.5138.2-75.9-158.8155.6-164.10124.9
594D36.2Very low36.9Very low114 Ų114158.4 Ų158.461%0.6177%0.768SS**  49.9114.9122.5-49.9-34.7000121.7
595N29.9Very low38Very low151 Ų151156.5 Ų156.581%0.80777%0.773SS**  179.7136.590.6-105-59.2000117.7
596K30Very low38.6Very low174 Ų174160.1 Ų160.176%0.75778%0.783SS**  81.998128.9-159.6165.9-177.5-178.90122.6
597R33.6Very low39Very low197 Ų197159.3 Ų159.374%0.74379%0.786SS**  96.2134.5126.3-93.6179.4172.3-104.44.5123.1
598D34.6Very low39.6Very low115 Ų115160.5 Ų160.562%0.61579%0.787SS**  trans68.693.4142.4-58.1-32000120.2
599S35.3Very low39.9Very low130 Ų130161.5 Ų161.591%0.90979%0.794SS**  trans-154.2142.3139.1-83.80000111.2
600R38.5Very low40.5Very low239 Ų239163.5 Ų163.590%0.90280%0.803SS**  trans-113.6127.9-164.7-174.1-172.9-168.2-1675.4109.4
601P50.4Low41.2Very low115 Ų115165.6 Ų165.675%0.74781%0.808SS**PPolyproline II helixtrans-75.4148.3179.429.9-33.8000112.2
602P49.6Very low42Very low118 Ų118164.8 Ų164.877%0.76681%0.81SS**PPolyproline II helixtrans-75.8158177.131.5-35000112.9
603P48.2Very low42.3Very low128 Ų128159.2 Ų159.283%0.83180%0.803SS**PPolyproline II helixtrans-86.5150.7-170.334.1-36.1000115
604E45.2Very low43.1Very low182 Ų182157 Ų15785%0.8581%0.806SS**PPolyproline II helixtrans-68.3147.5174.3-59.6177.4156.400112.9
605P58.1Low43.3Very low130 Ų130161.1 Ų161.184%0.84482%0.819SS**PPolyproline II helixtrans-73.7142.7176.230-34000112.6
606K49.3Very low43.5Very low190 Ų190163.7 Ų163.783%0.82682%0.824SS**PPolyproline II helixtrans-74.5141.7-173.9-63.8174.3-179.6175.90112.4
607K43.2Very low44.3Very low209 Ų209160.3 Ų160.391%0.90982%0.822SS**PPolyproline II helixtrans-59.3135162.4-60.8173.8-1791770109.5
608Y44.1Very low45Very low217 Ų217156.4 Ų156.485%0.85183%0.825SS**  trans-113.2142.5167.836.7-92.1000109.7
609E41.5Very low45.4Very low189 Ų189155.2 Ų155.288%0.88383%0.83SS**PPolyproline II helixtrans-72.7152.7-171.4-73-177.4126.100113.9T611E609-T611 PolarHBondContact O-N 3.23Å
610E43Very low45.9Very low197 Ų197154.5 Ų154.592%0.92183%0.825SS**PPolyproline II helixtrans-70116.3172.9-177.2175.1-178.300110.3
611T47.5Very low46.4Very low126 Ų126152.9 Ų152.977%0.77383%0.825SS**PPolyproline II helixtrans-101133.6169.645.30000109.8E609E609-T611 PolarHBondContact O-N 3.23Å
612P51.8Low46.3Very low124 Ų124159.1 Ų159.181%0.80584%0.835SS**PPolyproline II helixtrans-74.2137-171.328.3-34.8000112.5
613T43.9Very low46.2Very low124 Ų124157.8 Ų157.876%0.76184%0.835SS**PPolyproline II helixtrans-68.6132.7-177.953.40000112.9
614P50.7Low45.9Very low127 Ų127156 Ų15683%0.82583%0.831SS**PPolyproline II helixtrans-72.2128.4169.529.6-32.7000110.8F616P614-F616 PolarHBondContact O-N 3.08Å
615K40.8Very low46Very low202 Ų202154.9 Ų154.988%0.87883%0.83SS**  trans-77.3114.7177.7-64.4169.6-177.7170.20109.7
616F33.8Very low45.4Very low205 Ų205156.6 Ų156.690%0.89983%0.831SS**  trans-97106.2172.9-165.7-97.8000110.7P614P614-F616 PolarHBondContact O-N 3.08Å
617S48.2Very low45Very low102 Ų102155 Ų15571%0.71383%0.828SS**  trans-84.5139.4176.4-55.20000111.2A619S617-A619 PolarHBondContact O-N 2.95Å
618S47.1Very low45.1Very low116 Ų116152.7 Ų152.781%0.81183%0.826SS**  trans-68.1121.8175.152.70000113.3
619A43.3Very low44.7Very low89 Ų89145.6 Ų145.674%0.73682%0.818SS**  trans172.5152.7139.400000112.3S617S617-A619 PolarHBondContact O-N 2.95Å
620S46.3Very low44.6Very low115 Ų115145.8 Ų145.880%0.80482%0.819SS**  trans58.398.5158.7-590000119.4
621K47.8Very low44.4Very low206 Ų206145 Ų14590%0.89682%0.816SS**  trans-143.511.2152.9-124.5176.6-174.6-178.30116.5A623K621-A623 PolarHBondContact O-N 3.19Å
622Y49.3Very low43.7Very low245 Ų245142 Ų14296%0.96181%0.809SS**SBendtrans-94.268165.3-70.4-73.8000110
623A48.1Very low43.1Very low91 Ų91143.5 Ų143.575%0.75281%0.811SS**  trans-162.354.2-179.900000112.2K621K621-A623 PolarHBondContact O-N 3.19Å
624A41.6Very low42.9Very low90 Ų90145.7 Ų145.774%0.74482%0.818SS**SBendtrans-156.5121.7168.400000111.6
625L45.8Very low42.5Very low159 Ų159145.6 Ų145.683%0.83282%0.815SS**  trans69.764.7152.5-53.1173.3000117.6
626L47.3Very low42.8Very low166 Ų166144.8 Ų144.887%0.86982%0.815SS**SBend-87.1151.4121.2-110.870.5000107.9
627M40.3Very low43.3Very low155 Ų155142 Ų14276%0.76481%0.809SS**  trans86.1141.8178.5-69.9-71.1154.600118.5
628D46Very low43.1Very low161 Ų161141.4 Ų141.486%0.86181%0.811SS**  trans61.8131.4176.4-50.9-41.6000117.2
629G35.7Very low42.7Very low68 Ų68148.9 Ų148.970%0.70183%0.832SS**  cis161164.3-2.500000110.8
630E38.6Very low42.7Very low193 Ų193151.9 Ų151.990%0.90284%0.837SS**  trans73152.3166.3-155.2179.713800118.1
631Q37.7Very low42.5Very low181 Ų181153.8 Ų153.885%0.84684%0.839SS**  cis-167.5152.6-45.9-168.6154.721.900109.1
632G34.3Very low42.2Very low62 Ų62150.9 Ų150.964%0.63984%0.836SS**  trans81.2147.3176.100000114.2
633D37.8Very low41.8Very low157 Ų157145.4 Ų145.484%0.8483%0.829SS**  cis-142.5149.8-7.9-89.2-59.5000107
634D40.8Very low41.4Very low169 Ų169148.8 Ų148.890%0.90483%0.833SS**  trans-174.6106.6143.8-95.9-30.1000109.3
635T42.8Very low41.4Very low126 Ų126152.7 Ų152.777%0.77384%0.839SS**  trans-79.4134.1158.723.30000109
636E46.2Very low41.1Very low185 Ų185152.2 Ų152.286%0.86484%0.84SS**  trans-178.9141131.2-98.5161.9-15500113.1
637D44.1Very low40.6Very low146 Ų146151.2 Ų151.278%0.78184%0.838SS**  trans51125.7157.1-81.8-105.8000126.4
638A44.8Very low40.7Very low90 Ų90150.8 Ų150.874%0.74484%0.844SS**  trans64.1137.9135.600000120.4
639E39Very low40.2Very low272 Ų272149.9 Ų149.9100%1.27184%0.842SS**  cis-130.402.5-88.9-175.4108.200111.2

Retrieved 639 of 639 residues in 281.5 ms (Link to these results)