A0A087XID0_POEFO Loading...

PPARG coactivator 1 beta

AlphaFold DB , UniProt , Accession A0A087XID0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 935 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
1M34.8Very low44.5Very low242 Ų242142.5 Ų142.5100%1.19281%0.808SS**  01210-163.5179.192.400106
2A36.5Very low45Very low87 Ų87140.5 Ų140.572%0.71979%0.792SS**  trans60.494.6-175.600000116
3D41.2Very low45.2Very low160 Ų160135.9 Ų135.986%0.85678%0.775SS**  trans-63.8137.8156-42.1-84.4000109.7
4C37Very low45.2Very low133 Ų133130.7 Ų130.790%0.89975%0.751SS**  trans-155.659.7176.4-105.20000113.6
5A40.8Very low45.4Very low93 Ų93132 Ų13277%0.76975%0.745SS**  trans-120.3154143.800000107.1
6P47.9Very low46Very low116 Ų116129.7 Ų129.775%0.75373%0.734SS**  cis-120151.68.339.4-27.2000114.4
7L48.9Very low46Very low158 Ų158131 Ų13183%0.82773%0.73SS**  trans-150.145.9171.3-77.7-178.3000113
8L51.6Low46.1Very low134 Ų134127.6 Ų127.670%0.70272%0.717SS**SBendtrans-133.513.4-179.4-76.5177000115.9
9D51.8Low46.1Very low141 Ų141130.3 Ų130.375%0.75472%0.716SS**SBendtrans-106.6-40.1-179.7-153.830.4000112.7E11D9-E11 VanDerWaalsContact C-N 3.35Å; D9-E11 PolarHBondContact O-N 3.32Å
10E48.8Very low46.1Very low167 Ų167130.9 Ų130.978%0.7872%0.717SS**Hα-helixtrans-65.9-32.8176.7-63.5-168.2128.500113.4S13 S14E10-S13 PolarHBondContact O-N 3.12Å; E10-S14 PolarHBondContact O-N 3.32Å; E10-S14 VanDerWaalsContact O-N 3.12Å
11E50.1Low46.1Very low136 Ų136128.9 Ų128.964%0.63671%0.709SS**Hα-helixtrans-73.8-37.4-174.2-164165.8-152.600112.4D9 S14 F15D9-E11 VanDerWaalsContact C-N 3.35Å; D9-E11 PolarHBondContact O-N 3.32Å; E11-S14 PolarHBondContact O-N 3.16Å; E11-S14 PolarHBondContact O-OG 2.75Å; E11-F15 PolarHBondContact O-N 3.17Å
12L51Low46.4Very low119 Ų119125.3 Ų125.362%0.62369%0.689SS**Hα-helixtrans-62.6-43.5173.4-94.473000111.6S14 F15 V16L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.26Å; L12-F15 PolarHBondContact O-N 2.94Å; L12-V16 PolarHBondContact O-N 3.31Å
13S46.9Very low46.6Very low81 Ų81128 Ų12857%0.56669%0.692SS**Hα-helixtrans-60.6-40.7177.5-168.40000111.6E10 F15 F17E10-S13 PolarHBondContact O-N 3.12Å; S13-F15 PolarHBondContact O-N 2.59Å; S13-F17 PolarHBondContact O-N 3.14Å
14S46.1Very low46.6Very low63 Ų63125.9 Ų125.944%0.44169%0.689SS.*Hα-helixtrans-63.4-37.7176.882.40000113.7E10 E11 L12 F17 S18E10-S14 PolarHBondContact O-N 3.32Å; E10-S14 VanDerWaalsContact O-N 3.12Å; E11-S14 PolarHBondContact O-N 3.16Å; E11-S14 PolarHBondContact O-OG 2.75Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.26Å; S14-F17 PolarHBondContact O-N 3.07Å; S14-S18 PolarHBondContact O-N 3.01Å; S14-S18 VanDerWaalsContact O-N 3.12Å; S14-S18 PolarHBondContact O-OG 3.28Å
15F47.8Very low46.2Very low150 Ų150122.6 Ų122.666%0.65868%0.678SS**Hα-helixtrans-68.4-39.3-176.9-166.1-97.7000112.2E11 L12 S13 Y19E11-F15 PolarHBondContact O-N 3.17Å; L12-F15 PolarHBondContact O-N 2.94Å; S13-F15 PolarHBondContact O-N 2.59Å; F15-Y19 PolarHBondContact O-N 3.2Å
16V55.2Low46Very low95 Ų95124 Ų12458%0.57668%0.682SS**Hα-helixtrans-67.4-40.3176.3178.30000111.2L12L12-V16 PolarHBondContact O-N 3.31Å
17F45.9Very low45.3Very low152 Ų152125.7 Ų125.767%0.66768%0.68SS**Hα-helixtrans-74.5-34.4-175.7-138.7-87000113.6S13 S14 T21S13-F17 PolarHBondContact O-N 3.14Å; S14-F17 PolarHBondContact O-N 3.07Å; F17-T21 PolarHBondContact O-OG1 3.47Å
18S46.7Very low44.5Very low69 Ų69124.7 Ų124.748%0.48367%0.666SS.*Hα-helixtrans-65.3-41.7173.5-65.30000112.3S14 L20 T21 E22S14-S18 PolarHBondContact O-N 3.01Å; S14-S18 VanDerWaalsContact O-N 3.12Å; S14-S18 PolarHBondContact O-OG 3.28Å; S18-L20 PolarHBondContact O-N 3.16Å; S18-T21 PolarHBondContact O-N 2.84Å; S18-E22 PolarHBondContact O-N 3.42Å
19Y47.4Very low43.6Very low179 Ų179121.5 Ų121.570%0.70267%0.666SS**Hα-helixtrans-65.9-21.4-176.5-140.8-83.9000113.8F15F15-Y19 PolarHBondContact O-N 3.2Å
20L46.6Very low42.8Very low142 Ų142122.3 Ų122.374%0.74367%0.665SS**Hα-helixtrans-87.5-15.4172.6-74.7167.6000113.7S18S18-L20 PolarHBondContact O-N 3.16Å
21T45.3Very low42.3Very low89 Ų89123.2 Ų123.255%0.54667%0.669SS.*Hα-helixtrans-106.2-29.2-171.9-47.50000113F17 S18 N23F17-T21 PolarHBondContact O-OG1 3.47Å; S18-T21 PolarHBondContact O-N 2.84Å; T21-N23 PolarHBondContact O-N 2.87Å
22E40Very low41.9Very low167 Ų167125.4 Ų125.478%0.7868%0.68SS**THydrogen-bonded Turntrans-71-10.4-175.7-162.9169.3173.300114.2S18 S24S18-E22 PolarHBondContact O-N 3.42Å; E22-S24 PolarHBondContact O-N 3.33Å
23N41.6Very low41.4Very low144 Ų144125.7 Ų125.777%0.7769%0.686SS**THydrogen-bonded Turntrans-8110.1-175.3-122.1106.1000115.5T21T21-N23 PolarHBondContact O-N 2.87Å
24S40.9Very low40.7Very low115 Ų115126.7 Ų126.780%0.80469%0.692SS**SBendtrans-128.671.9-173.9-63.30000113.9E22E22-S24 PolarHBondContact O-N 3.33Å
25G29.7Very low40.6Very low64 Ų64129.6 Ų129.666%0.6671%0.713SS**  trans176.366.5174.400000120.1
26S36.5Very low40.5Very low122 Ų122129.8 Ų129.885%0.85372%0.72SS**  trans49.5161.2154.467.40000119.4
27Q32.9Very low40.2Very low152 Ų152135.5 Ų135.571%0.7173%0.731SS**  cis-162.7164.232.5-168.9174.311.500111.7
28Y31.5Very low40.4Very low137 Ų137136 Ų13654%0.53774%0.74SS.*  trans74.2135.8-177.6-64-82.6000115.3S548Y28-S548 PolarHBondContact OH-N 3.5Å
29G32.3Very low40.5Very low68 Ų68140.5 Ų140.570%0.70176%0.759SS**  cis-129.3166.52.200000113.3
30E35.5Very low40.8Very low157 Ų157138 Ų13873%0.73476%0.762SS**  trans-91.3135.5-175.147.6-8782.700113.9
31E38.5Very low40.8Very low186 Ų186138.9 Ų138.987%0.86977%0.768SS**  trans-136.4114.9155.557.1-174.113100110.2V33E31-V33 PolarHBondContact O-N 3.48Å
32E41.3Very low41.1Very low182 Ų182143.8 Ų143.885%0.8578%0.782SS**  trans-84.9108.6-172.6-62.3-175.7138.800111.4
33V40.3Very low42Very low126 Ų126141.1 Ų141.176%0.76478%0.779SS**  trans-105.7102.8169.2-177.70000109.4E31 S35E31-V33 PolarHBondContact O-N 3.48Å; V33-S35 PolarHBondContact O-N 2.82Å; V33-S35 VanDerWaalsContact O-N 3.14Å
34C33.7Very low42.4Very low101 Ų101142 Ų14268%0.68278%0.784SS**  trans-69.2104.2-174.5-56.50000112.9D36C34-D36 PolarHBondContact O-N 3.18Å
35S42.7Very low43.4Very low125 Ų125143.3 Ų143.387%0.87478%0.78SS**  trans-77.913.9175.1-57.50000115V33V33-S35 PolarHBondContact O-N 2.82Å; V33-S35 VanDerWaalsContact O-N 3.14Å
36D45.9Very low44.8Very low153 Ų153144.3 Ų144.382%0.81877%0.771SS**  trans-108.428.9-166-159.936.5000113.5C34C34-D36 PolarHBondContact O-N 3.18Å
37R49.2Very low45.9Very low215 Ų215144.3 Ų144.381%0.81176%0.76SS**  trans-143.242.8-175-63.5-163.371.7145.73.9115.5
38L49.3Very low47.2Very low163 Ų163141.7 Ų141.785%0.85376%0.759SS**  trans-127.84.8171.5-73.4177000115.6T40L38-T40 PolarHBondContact O-N 2.86Å
39D50.1Low48.3Very low164 Ų164142.4 Ų142.488%0.87777%0.767SS**SBendtrans-93.768.7170.3-76.2-32.9000111.2
40T52.6Low49.4Very low125 Ų125145.3 Ų145.377%0.76777%0.766SS**SBendtrans-155.49.3175-22.50000116.7L38L38-T40 PolarHBondContact O-N 2.86Å
41D47.5Very low50.3Low161 Ų161142.7 Ų142.786%0.86176%0.757SS**  trans-144.344.5-177.3-109.6-38.3000113.8
42F50.3Low51.3Low193 Ų193140.3 Ų140.385%0.84676%0.755SS**  trans-113.4131.7156.6-78.6-84.9000108.6D44F42-D44 PolarHBondContact O-N 3.43Å
43P60.8Low52Low111 Ų111134.9 Ų134.972%0.72174%0.738SS**  trans-69.6128.5168.129.5-32000108.8I45P43-I45 PolarHBondContact O-N 3.13Å
44D49Very low52.8Low162 Ų162135.6 Ų135.687%0.86674%0.737SS**  trans-57.1114.5168.9-71.9-50.1000108.8F42 D46F42-D44 PolarHBondContact O-N 3.43Å; D44-D46 PolarHBondContact O-N 3.27Å; D44-D46 VanDerWaalsContact O-N 3.11Å
45I62.4Low53.9Low143 Ų143139.6 Ų139.673%0.73374%0.743SS**  trans-75104.8175.8-61.2175.7000106.4P43 L47P43-I45 PolarHBondContact O-N 3.13Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 HydrophobicContact CG2-CD2 3.86Å; I45-L47 HydrophobicContact CG2-CG 4.27Å; I45-L47 PolarHBondContact O-N 3.15Å
46D58.2Low54.2Low85 Ų85139.6 Ų139.646%0.45573%0.733SS.*  trans-7281.6-177.1-17714.7000111.6D44 S48 Q49D44-D46 PolarHBondContact O-N 3.27Å; D44-D46 VanDerWaalsContact O-N 3.11Å; D46-S48 VanDerWaalsContact CG-OG 3.3Å; D46-S48 PolarHBondContact O-N 2.93Å; D46-S48 VanDerWaalsContact O-N 3.08Å; D46-S48 VanDerWaalsContact OD1-CB 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.33Å; D46-S48 PolarHBondContact OD1-N 3.39Å; D46-S48 PolarHBondContact OD1-OG 3.22Å; D46-S48 PolarHBondContact OD2-OG 2.85Å; D46-Q49 PolarHBondContact O-N 3.47Å; D46-Q49 PolarHBondContact OD2-NE2 2.84Å
47L60.2Low54.8Low121 Ų121136.6 Ų136.663%0.63473%0.725SS**G310 helixtrans-67.70.5177.4-62.4176.1000113.4I45 Q49 L50I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 HydrophobicContact CG2-CD2 3.86Å; I45-L47 HydrophobicContact CG2-CG 4.27Å; I45-L47 PolarHBondContact O-N 3.15Å; L47-Q49 PolarHBondContact O-N 2.94Å; L47-L50 HydrophobicContact CD2-CD1 3.92Å; L47-L50 PolarHBondContact O-N 3.47Å
48S59.8Low54.9Low97 Ų97132.2 Ų132.268%0.67872%0.721SS**G310 helixtrans-71.1-10.2169.176.90000113.4D46D46-S48 VanDerWaalsContact CG-OG 3.3Å; D46-S48 PolarHBondContact O-N 2.93Å; D46-S48 VanDerWaalsContact O-N 3.08Å; D46-S48 VanDerWaalsContact OD1-CB 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.33Å; D46-S48 PolarHBondContact OD1-N 3.39Å; D46-S48 PolarHBondContact OD1-OG 3.22Å; D46-S48 PolarHBondContact OD2-OG 2.85Å
49Q53.8Low55.2Low153 Ų153130.4 Ų130.472%0.71571%0.712SS**G310 helixtrans-91.82.9178.2-58.3-179.432.300113.7D46 L47 D51D46-Q49 PolarHBondContact O-N 3.47Å; D46-Q49 PolarHBondContact OD2-NE2 2.84Å; L47-Q49 PolarHBondContact O-N 2.94Å; Q49-D51 PolarHBondContact O-N 2.85Å
50L56.3Low55Low128 Ų128127.6 Ų127.667%0.6771%0.705SS**  trans-9187.5167.4-66.5177.4000109L47L47-L50 HydrophobicContact CD2-CD1 3.92Å; L47-L50 PolarHBondContact O-N 3.47Å
51D55.4Low54.7Low102 Ų102129.9 Ų129.955%0.54571%0.711SS.*  trans-68.3140.7172.6-17216000110.3Q49 S53 D54Q49-D51 PolarHBondContact O-N 2.85Å; D51-S53 PolarHBondContact O-N 2.83Å; D51-S53 VanDerWaalsContact O-N 3.07Å; D51-S53 PolarHBondContact OD2-OG 3.31Å; D51-D54 PolarHBondContact O-N 3.43Å
52T58.8Low54.8Low136 Ų136126.6 Ų126.683%0.83470%0.701SS**THydrogen-bonded Turntrans-69.1-2.5-17847.80000114.2
53S55.2Low54.8Low69 Ų69126 Ų12648%0.48370%0.701SS.*THydrogen-bonded Turntrans-81.3-25.6177.455.10000114D51 F55 D56D51-S53 PolarHBondContact O-N 2.83Å; D51-S53 VanDerWaalsContact O-N 3.07Å; D51-S53 PolarHBondContact OD2-OG 3.31Å; S53-F55 PolarHBondContact O-N 3.35Å; S53-D56 PolarHBondContact O-N 3.02Å
54D58.1Low53.9Low141 Ų141127.6 Ų127.675%0.75470%0.703SS**THydrogen-bonded Turntrans-71.74.6-171.7-106.58.3000115.2D51D51-D54 PolarHBondContact O-N 3.43Å
55F55.4Low53.5Low185 Ų185128.8 Ų128.881%0.81170%0.703SS**THydrogen-bonded Turntrans-108-2.9178-84.2-80.5000115S53 S57S53-F55 PolarHBondContact O-N 3.35Å; F55-S57 VanDerWaalsContact C-N 3.27Å; F55-S57 PolarHBondContact O-N 3.36Å
56D50.3Low52.4Low124 Ų124132.5 Ų132.566%0.66371%0.708SS**  trans-79.769-177.4-162.615.9000113.1S53 V58S53-D56 PolarHBondContact O-N 3.02Å; D56-V58 PolarHBondContact O-N 3.25Å; D56-V58 WeakPolarHBondContact OD1-CG2 3.4Å
57S57.3Low51.1Low91 Ų91134.4 Ų134.464%0.63673%0.727SS**G310 helixtrans-77.419.5-171.8-59.10000114.9F55F55-S57 VanDerWaalsContact C-N 3.27Å; F55-S57 PolarHBondContact O-N 3.36Å
58V52.9Low49.7Very low123 Ų123134.7 Ų134.775%0.74573%0.733SS**G310 helixtrans-86.3-6.4-171.8-55.60000114.8D56D56-V58 PolarHBondContact O-N 3.25Å; D56-V58 WeakPolarHBondContact OD1-CG2 3.4Å
59N53.9Low48.3Very low124 Ų124137.3 Ų137.366%0.66374%0.74SS**G310 helixtrans-114.313.9-175.8-155.780.5000114.6L61N59-L61 VanDerWaalsContact C-N 3.32Å; N59-L61 PolarHBondContact O-N 3.49Å
60C46.5Very low47.6Very low106 Ų106137.4 Ų137.472%0.71674%0.74SS**THydrogen-bonded Turntrans-86.110.4-175.6-59.60000115.3
61L46.8Very low46.7Very low172 Ų172137 Ų13790%0.90175%0.746SS**THydrogen-bonded Turntrans-116.12-176.4-66.7178000114.6N59N59-L61 VanDerWaalsContact C-N 3.32Å; N59-L61 PolarHBondContact O-N 3.49Å
62S49.1Very low45.9Very low93 Ų93136.7 Ų136.765%0.6576%0.757SS**SBendtrans-88.7-5.8-175.258.30000115.6
63E51Low44.6Very low180 Ų180137.9 Ų137.984%0.84176%0.758SS**  trans-13040.6-166.8-154.2171.6-161.900114.4
64L41.5Very low43.7Very low145 Ų145140.9 Ų140.976%0.75977%0.773SS**  trans-123.864.9167.6-87.2168.6000111.5W66L64-W66 PolarHBondContact O-N 3.03Å
65Q39.8Very low42.4Very low186 Ų186139.2 Ų139.287%0.86977%0.773SS**  trans-65.2124.8163.564.3177.7-4.400109.9
66W40.2Very low41.6Very low221 Ų221136.7 Ų136.784%0.83778%0.775SS**  trans-130.4132.5163.2-80.967.7000107L64 T68L64-W66 PolarHBondContact O-N 3.03Å; W66-T68 PolarHBondContact O-N 3.02Å
67C30.8Very low40.6Very low126 Ų126135.3 Ų135.385%0.85178%0.781SS**  trans-70.2121.6-159-56.20000113.4D69C67-D69 VanDerWaalsContact C-N 3.32Å; C67-D69 PolarHBondContact O-N 3.29Å; C67-D69 VanDerWaalsContact O-N 3.12Å
68T30.1Very low39.4Very low126 Ų126136.1 Ų136.177%0.77379%0.787SS**  trans-74.389.9153.6-58.10000108.1W66 Q70W66-T68 PolarHBondContact O-N 3.02Å; T68-Q70 HydrophobicContact CG2-CB 4.01Å
69D31.9Very low38.4Very low153 Ų153137.5 Ų137.582%0.81879%0.788SS**  trans-95.7107.6161.7-162.76.4000107.5C67C67-D69 VanDerWaalsContact C-N 3.32Å; C67-D69 PolarHBondContact O-N 3.29Å; C67-D69 VanDerWaalsContact O-N 3.12Å
70Q38.8Very low37.4Very low154 Ų154139.4 Ų139.472%0.7279%0.793SS**  trans-126.7109-171.1-179.6173.188.300108.4T68 A72T68-Q70 HydrophobicContact CG2-CB 4.01Å; Q70-A72 PolarHBondContact O-N 2.6Å
71P36.3Very low37Very low121 Ų121145.2 Ų145.279%0.78680%0.801SS**  trans-66125.7174.327.5-32.7000108.8
72A38.5Very low36.6Very low95 Ų95142.4 Ų142.479%0.78580%0.796SS**  trans-72.7133.8-179.500000111.3Q70Q70-A72 PolarHBondContact O-N 2.6Å
73D31.4Very low35.9Very low160 Ų160143.7 Ų143.786%0.85680%0.8SS**  -159.3169.8122.8-128.9-35.9000111.9
74V37.4Very low35.2Very low132 Ų132138.8 Ų138.880%0.879%0.791SS**  trans70.893178.4-166.20000116
75S30.8Very low35.4Very low106 Ų106137.5 Ų137.574%0.74178%0.784SS**  trans-67.2149.8165.4-56.70000113
76P38.9Very low35.7Very low132 Ų132137 Ų13786%0.85778%0.782SS**  trans-75.9137.3175.931.3-34.7000112.1
77A29.3Very low36Very low96 Ų96133 Ų13379%0.79378%0.776SS**  trans-147.293.917900000114.5
78S31.6Very low36.7Very low108 Ų108134.1 Ų134.176%0.75577%0.767SS**  trans74.5161.3148.2-153.80000120
79I31.4Very low37.8Very low151 Ų151137 Ų13777%0.77477%0.771SS**  trans68.6132.2167.3-46.6-175.5000115.9
80H32.8Very low38.9Very low165 Ų165135.1 Ų135.176%0.76476%0.76SS**  cis-170.4171.8-33.9-113.8-76.5000105.6
81Y37.9Very low39.9Very low227 Ų227134.5 Ų134.589%0.8976%0.758SS**  trans-58.7135.8169.6-71.2-104.1000112.3
82S38.1Very low41.2Very low113 Ų113137 Ų13779%0.7976%0.758SS**  trans173.5104.2132.4179.10000113.7
83T34.9Very low42.3Very low120 Ų120140.6 Ų140.674%0.73676%0.759SS**  trans-163125.2138.619.50000106.8
84A36.6Very low44Very low78 Ų78136.6 Ų136.665%0.64574%0.738SS**  trans-11414.7-179.500000111.8
85D46.4Very low45.8Very low117 Ų117133 Ų13363%0.62672%0.722SS**  trans-111.2-15.7-151.9-48.4-75.3000113.3L87D85-L87 PolarHBondContact O-N 3.39Å
86E45.8Very low48.1Very low175 Ų175131 Ų13182%0.81871%0.712SS**THydrogen-bonded Turntrans-80.43.1175.9-68.2-176.2156.400113.7
87L46.3Very low50.1Low138 Ų138129.5 Ų129.572%0.72370%0.696SS**THydrogen-bonded Turntrans-94.71.2-178.3-127.9155.5000113.7D85D85-L87 PolarHBondContact O-N 3.39Å
88F46.4Very low52.6Low149 Ų149130.1 Ų130.165%0.65469%0.685SS**SBendtrans-112.7-2.2179.1-72.3-78.8000114.5I90 E91F88-I90 PolarHBondContact O-N 2.8Å; F88-E91 PolarHBondContact O-N 2.73Å
89E52.6Low54.9Low186 Ų186127.7 Ų127.787%0.86967%0.672SS**THydrogen-bonded Turntrans-80.937.2176.1-153165.4-13100112.7
90I54.6Low57.2Low114 Ų114123 Ų12359%0.58566%0.656SS**THydrogen-bonded Turntrans-119.9-8175.6-61.7174.8000110.4F88 N94F88-I90 PolarHBondContact O-N 2.8Å; I90-N94 PolarHBondContact O-ND2 2.89Å
91E60.6Low59.5Low142 Ų142119.6 Ų119.666%0.66464%0.643SS**THydrogen-bonded Turntrans-100.22.5-166.7-160.9151.1-136.300115.2F88 A95F88-E91 PolarHBondContact O-N 2.73Å; E91-A95 WeakPolarHBondContact O-CB 3.37Å
92E63.7Low61.6Low172 Ų172113.1 Ų113.180%0.80463%0.627SS**THydrogen-bonded Turntrans-90.1-49171.6-170.1169.1-167.400112.3N94 A95 A96E92-N94 VanDerWaalsContact C-N 3.34Å; E92-N94 PolarHBondContact O-N 2.54Å; E92-A95 WeakPolarHBondContact O-CB 3.49Å; E92-A95 PolarHBondContact O-N 2.79Å; E92-A95 VanDerWaalsContact O-N 3.11Å; E92-A96 PolarHBondContact O-N 3.05Å; E92-A96 VanDerWaalsContact O-N 3.16Å
93E61.6Low63.5Low171 Ų171113.7 Ų113.780%0.79962%0.621SS**Hα-helixtrans-67.5-34.4179.9-165.7168.9-138.700112A96 L97E93-A96 PolarHBondContact O-N 3.13Å; E93-L97 PolarHBondContact O-N 3.26Å
94N65.4Low65.6Low76 Ų76111.4 Ų111.441%0.40661%0.61SS.*Hα-helixtrans-68.5-32171.1-79.3-70.8000113I90 E92 L97 L98I90-N94 PolarHBondContact O-ND2 2.89Å; E92-N94 VanDerWaalsContact C-N 3.34Å; E92-N94 PolarHBondContact O-N 2.54Å; N94-L97 PolarHBondContact O-N 3.15Å; N94-L98 WeakPolarHBondContact O-CB 3.08Å; N94-L98 VanDerWaalsContact O-CG 3.28Å; N94-L98 WeakPolarHBondContact O-CG 3.47Å; N94-L98 PolarHBondContact O-N 3.03Å
95A76.3Confident67.3Low56 Ų56112.9 Ų112.946%0.46361%0.607SS.*Hα-helixtrans-67.1-40.6175.600000111.4E91 E92 L98 A99E91-A95 WeakPolarHBondContact O-CB 3.37Å; E92-A95 WeakPolarHBondContact O-CB 3.49Å; E92-A95 PolarHBondContact O-N 2.79Å; E92-A95 VanDerWaalsContact O-N 3.11Å; A95-L98 PolarHBondContact O-N 3.02Å; A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.21Å; A95-A99 PolarHBondContact O-N 3.31Å
96A79.9Confident68.4Low65 Ų65113.1 Ų113.154%0.53761%0.608SS.*Hα-helixtrans-63.9-39.9172.300000112.4E92 E93 A100E92-A96 PolarHBondContact O-N 3.05Å; E92-A96 VanDerWaalsContact O-N 3.16Å; E93-A96 PolarHBondContact O-N 3.13Å; A96-A100 WeakPolarHBondContact O-CB 3.28Å; A96-A100 PolarHBondContact O-N 3.02Å
97L79.3Confident69.2Low100 Ų100107.5 Ų107.552%0.52460%0.597SS.*Hα-helixtrans-64.5-46.3176.5-169.273.9000112E93 N94 A100 L101E93-L97 PolarHBondContact O-N 3.26Å; N94-L97 PolarHBondContact O-N 3.15Å; L97-A100 PolarHBondContact O-N 3.21Å; L97-L101 HydrophobicContact CG-CD1 4.24Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.32Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.33Å
98L82.7Confident69.8Low109 Ų109106.9 Ų106.957%0.57159%0.592SS**Hα-helixtrans-65.4-39.4177.4-72.8168.4000111.8N94 A95 L101 T102N94-L98 WeakPolarHBondContact O-CB 3.08Å; N94-L98 VanDerWaalsContact O-CG 3.28Å; N94-L98 WeakPolarHBondContact O-CG 3.47Å; N94-L98 PolarHBondContact O-N 3.03Å; A95-L98 PolarHBondContact O-N 3.02Å; L98-L101 PolarHBondContact O-N 2.94Å; L98-T102 WeakPolarHBondContact O-CB 3.35Å; L98-T102 PolarHBondContact O-N 3.24Å; L98-T102 PolarHBondContact O-OG1 3.44Å
99A79.5Confident70.2Confident58 Ų58104.5 Ų104.548%0.47959%0.589SS.*Hα-helixtrans-60.7-48.4172.800000111.8A95 L101 T102 D103A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.21Å; A95-A99 PolarHBondContact O-N 3.31Å; A99-L101 VanDerWaalsContact C-N 3.34Å; A99-L101 PolarHBondContact O-N 3.45Å; A99-T102 PolarHBondContact O-N 3.4Å; A99-T102 VanDerWaalsContact O-N 3.14Å; A99-D103 WeakPolarHBondContact O-CB 3.39Å; A99-D103 PolarHBondContact O-N 3.36Å
100A79.6Confident70.5Confident52 Ų52102.7 Ų102.743%0.4359%0.585SS.*Hα-helixtrans-64.9-34.4179.100000113.3A96 L97 S104A96-A100 WeakPolarHBondContact O-CB 3.28Å; A96-A100 PolarHBondContact O-N 3.02Å; L97-A100 PolarHBondContact O-N 3.21Å; A100-S104 WeakPolarHBondContact O-CB 3.27Å; A100-S104 PolarHBondContact O-N 2.89Å; A100-S104 PolarHBondContact O-OG 3.44Å
101L81.9Confident70.5Confident94 Ų94101.3 Ų101.349%0.49259%0.591SS.*Hα-helixtrans-71.6-31.5173.3-71.9170.4000112.4L97 L98 A99 L105L97-L101 HydrophobicContact CG-CD1 4.24Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.32Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.33Å; L98-L101 PolarHBondContact O-N 2.94Å; A99-L101 VanDerWaalsContact C-N 3.34Å; A99-L101 PolarHBondContact O-N 3.45Å; L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 2.81Å
102T81.4Confident70.3Confident90 Ų90103.1 Ų103.155%0.55260%0.599SS**Hα-helixtrans-73.1-46.8176.1-54.30000110.6L98 A99 S104 L105 D106L98-T102 WeakPolarHBondContact O-CB 3.35Å; L98-T102 PolarHBondContact O-N 3.24Å; L98-T102 PolarHBondContact O-OG1 3.44Å; A99-T102 PolarHBondContact O-N 3.4Å; A99-T102 VanDerWaalsContact O-N 3.14Å; T102-S104 VanDerWaalsContact C-N 3.28Å; T102-S104 PolarHBondContact O-N 2.84Å; T102-L105 PolarHBondContact O-N 3.32Å; T102-D106 WeakPolarHBondContact O-CB 3.44Å; T102-D106 PolarHBondContact O-N 3.13Å
103D77.4Confident69.9Low126 Ų126101 Ų10167%0.67460%0.598SS**Hα-helixtrans-56.7-39.5172.9-170.664.6000111.8A99 L105 G107A99-D103 WeakPolarHBondContact O-CB 3.39Å; A99-D103 PolarHBondContact O-N 3.36Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 2.83Å; D103-G107 PolarHBondContact O-N 3.32Å; D103-G107 VanDerWaalsContact O-N 3.16Å
104S78.9Confident69.4Low71 Ų7196.6 Ų96.650%0.49760%0.599SS.*Hα-helixtrans-68.5-27.5174.6-59.70000114.1A100 T102 M108A100-S104 WeakPolarHBondContact O-CB 3.27Å; A100-S104 PolarHBondContact O-N 2.89Å; A100-S104 PolarHBondContact O-OG 3.44Å; T102-S104 VanDerWaalsContact C-N 3.28Å; T102-S104 PolarHBondContact O-N 2.84Å; S104-M108 WeakPolarHBondContact O-CG 3.39Å
105L73.2Confident68.3Low110 Ų11096.3 Ų96.358%0.57661%0.614SS**Hα-helixtrans-86.1-39.1178.1-76.3167.2000111.7L101 T102 D103 M108 V109L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 2.81Å; T102-L105 PolarHBondContact O-N 3.32Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 2.83Å; L105-M108 WeakPolarHBondContact O-CB 3.47Å; L105-M108 PolarHBondContact O-N 3.37Å; L105-M108 VanDerWaalsContact O-N 3.11Å; L105-V109 PolarHBondContact O-N 2.96Å
106D70.1Confident66.5Low122 Ų122101.9 Ų101.965%0.65264%0.635SS**Hα-helixtrans-59.3-48.7175.7-155.554.2000110.2T102 M108 V109T102-D106 WeakPolarHBondContact O-CB 3.44Å; T102-D106 PolarHBondContact O-N 3.13Å; D106-M108 PolarHBondContact O-N 3.49Å; D106-V109 PolarHBondContact O-N 3.32Å; D106-V109 VanDerWaalsContact O-N 3.12Å
107G62.8Low64.4Low57 Ų57104.6 Ų104.659%0.58865%0.65SS**Hα-helixtrans-66.6-4.8175.300000116.1D103D103-G107 PolarHBondContact O-N 3.32Å; D103-G107 VanDerWaalsContact O-N 3.16Å
108M57.5Low62.3Low125 Ų125104.4 Ų104.462%0.61665%0.653SS**Hα-helixtrans-93.4-29171.3-79173.146.700112.8S104 L105 D106 A111S104-M108 WeakPolarHBondContact O-CG 3.39Å; L105-M108 WeakPolarHBondContact O-CB 3.47Å; L105-M108 PolarHBondContact O-N 3.37Å; L105-M108 VanDerWaalsContact O-N 3.11Å; D106-M108 PolarHBondContact O-N 3.49Å; M108-A111 PolarHBondContact O-N 3.18Å
109V56.2Low59.8Low99 Ų99108.6 Ų108.660%0.667%0.667SS**Hα-helixtrans-71.9-40.9-176.9177.20000111.4L105 D106 A111 E112L105-V109 PolarHBondContact O-N 2.96Å; D106-V109 PolarHBondContact O-N 3.32Å; D106-V109 VanDerWaalsContact O-N 3.12Å; V109-A111 PolarHBondContact O-N 3.05Å; V109-E112 PolarHBondContact O-N 3.5Å
110D58.3Low58Low147 Ų147111 Ų11179%0.78668%0.678SS**THydrogen-bonded Turntrans-68-10.7176.4-91.3-2.6000113.8
111A55.2Low55.6Low85 Ų85115.2 Ų115.270%0.70270%0.698SS**THydrogen-bonded Turntrans-84.4-18179.500000113.9M108 V109M108-A111 PolarHBondContact O-N 3.18Å; V109-A111 PolarHBondContact O-N 3.05Å
112E54.7Low53.2Low180 Ų180117.5 Ų117.584%0.84171%0.71SS**SBendtrans-105.3-4.2-173.7-158.8159.7-179.700113.5V109V109-E112 PolarHBondContact O-N 3.5Å
113V55.9Low50.7Low127 Ų127121 Ų12177%0.7772%0.721SS**SBendtrans-11163.4179.8-167.80000111.6
114G51Low48.4Very low80 Ų80123.7 Ų123.783%0.82573%0.729SS**  trans-151.611.3-177.300000117.3
115G43Very low46.2Very low70 Ų70128.2 Ų128.272%0.72274%0.742SS**SBendtrans-104.4-21.1-162.800000119
116L38.9Very low44.8Very low173 Ų173127.5 Ų127.591%0.90674%0.744SS**  trans-133.7105.1-164-64.3174.3000113.6
117S36Very low42.7Very low122 Ų122126 Ų12685%0.85374%0.744SS**  trans-16258.2174.452.30000116.4
118V33.9Very low41.2Very low96 Ų96131.3 Ų131.358%0.58275%0.753SS**  trans-146.8128.4157.5-141.20000106.9
119F29.8Very low39.8Very low196 Ų196133.4 Ų133.486%0.8676%0.761SS**  cis-127.4168.720.9-79.2-94.2000113.7
120P42.6Very low38.6Very low109 Ų109137.1 Ų137.171%0.70877%0.772SS**  trans-107.5127.8-170.937.3-29.7000116.4
121T28Very low37.3Very low141 Ų141138.3 Ų138.387%0.86577%0.773SS**  trans-178143.1155.423.80000106.8
122L31.5Very low36Very low142 Ų142141.4 Ų141.474%0.74378%0.778SS**  cis-160.7128.26.8172.865.5000109.6
123E28.9Very low34.9Very low164 Ų164138.8 Ų138.877%0.76677%0.765SS**  trans71.2155.6146.3-155.9151.8-145.700121.9
124E30Very low33.6Very low181 Ų181142.2 Ų142.285%0.84676%0.764SS**  trans52.397.9170.4-78.7179.913600123.2
125E33.7Very low32.5Very low166 Ų166144.1 Ų144.178%0.77677%0.765SS**  trans-57.6172.4133-124.5-137.8117.400111.2
126P42.7Very low31.9Very low95 Ų95148.5 Ų148.562%0.61777%0.771SS**  cis-145.6171.417.242.6-22.8000119.6
127S25.9Very low31.8Very low92 Ų92145.3 Ų145.364%0.64376%0.761SS**  trans74160139.971.50000124.2
128Q31.6Very low31.3Very low167 Ų167147.3 Ų147.378%0.7876%0.761SS**  trans76.8114.8172.7-47.1-158.4-99.200115.7
129E27.9Very low30.9Very low169 Ų169147.4 Ų147.479%0.7977%0.766SS**  cis88.1135.635.9-62.2-179.8153.200115.2
130E30.5Very low30.9Very low177 Ų177142 Ų14283%0.82776%0.757SS**  trans62.3162.2170.5-65.7179-173.200116.7
131E30.9Very low30.3Very low173 Ų173144.9 Ų144.981%0.80876%0.761SS**  cis-159.4163.3-42.8-110.8-172.8-179.900105.5
132D29.1Very low30.3Very low150 Ų150144.3 Ų144.380%0.80275%0.753SS**  trans-24.2167.9170.1-85.9-46000124.4
133E30.9Very low30.4Very low125 Ų125144.6 Ų144.658%0.58475%0.748SS**  trans69.8106.5153.3-74.9-76.4115.200121.8
134R29.5Very low30.4Very low199 Ų199142.8 Ų142.875%0.75175%0.754SS**  trans34.3120.1132.5-51.1-179.6-153.2170.218.8119.9
135S27.6Very low30.6Very low119 Ų119140.6 Ų140.683%0.83274%0.744SS**  155.3131.9109.9-68.40000114.1
136L30.3Very low31Very low163 Ų163138.2 Ų138.285%0.85374%0.743SS**  trans-68.8157.2155.7-66.8174.1000109.3
137P37.3Very low30.3Very low106 Ų106140.9 Ų140.969%0.68875%0.751SS**  -158.9159.450.341.7-19.4000121.3
138L25.8Very low30.3Very low163 Ų163139 Ų13985%0.85375%0.746SS**  trans63.6151.7145.4-65.2166000119.6
139S24.5Very low30.4Very low99 Ų99135.4 Ų135.469%0.69275%0.745SS**  cis-172.2158.7-7.948.10000112.5
140A30.7Very low30.5Very low81 Ų81135.4 Ų135.467%0.66975%0.745SS**  trans71.1156.7164.300000117.5
141E29.8Very low30.7Very low171 Ų171132.6 Ų132.680%0.79974%0.74SS**  cis-131.5137.79.2-101.297.4161.400114
142D28Very low31.3Very low128 Ų128132.4 Ų132.468%0.68474%0.739SS**  26.8147.1117.2-6613.5000121.5
143F33.4Very low32Very low149 Ų149129.4 Ų129.465%0.65472%0.723SS**  cis-165.3148.7-5.1-123.1-52.4000110.7Q145F143-Q145 HydrophobicContact CE1-CG 4.22Å
144S29.4Very low32.8Very low126 Ų126130.6 Ų130.688%0.88173%0.732SS**  trans-164.7119145.8-830000111.5
145Q32.7Very low34.1Very low135 Ų135123.2 Ų123.263%0.63171%0.711SS**  trans-103.4-174.6-174.6-110.6-172.7-20.400111.4F143F143-Q145 HydrophobicContact CE1-CG 4.22Å
146P42.2Very low35.4Very low116 Ų116122.2 Ų122.275%0.75370%0.696SS**  cis-121.7161.210.735.6-18.6000115
147L29Very low36.2Very low150 Ų150120.7 Ų120.779%0.78569%0.688SS**  cis-153.8-170.33.8-114.2168.4000106.6
148G25.6Very low36.9Very low52 Ų52123.2 Ų123.254%0.53669%0.688SS.*  cis175.2-1657.200000112.4
149A33.7Very low38.3Very low92 Ų92122 Ų12276%0.7668%0.676SS**  trans-76142.2-174.700000113
150E30.5Very low39.6Very low170 Ų170124.2 Ų124.279%0.79468%0.679SS**  cis72.9118.343.4-62.4-173.1148.400114.9
151T33.2Very low40.5Very low117 Ų117127 Ų12772%0.71868%0.682SS**  166.8129.5113.234.80000113.7
152E43.2Very low41.3Very low170 Ų170124.8 Ų124.879%0.79468%0.675SS**  trans3887.7136.1-56.7171.9-150.800120.3L154E152-L154 PolarHBondContact O-N 3.2Å
153D44.3Very low41.6Very low86 Ų86125 Ų12546%0.4668%0.681SS.*  trans-97.163.1164.5-151-27.5000114.3S155 L156D153-S155 PolarHBondContact O-N 2.59Å; D153-S155 VanDerWaalsContact OD1-CA 3.24Å; D153-S155 WeakPolarHBondContact OD1-CA 3.41Å; D153-S155 WeakPolarHBondContact OD1-CB 3.37Å; D153-S155 PolarHBondContact OD1-N 2.58Å; D153-S155 PolarHBondContact OD1-OG 2.74Å; D153-L156 HydrophobicContact CB-CD1 4.13Å; D153-L156 PolarHBondContact OD1-N 3.1Å; D153-L156 WeakPolarHBondContact OD2-CD1 3.41Å; D153-L156 WeakPolarHBondContact OD2-CG 3.2Å
154L49Very low42.3Very low150 Ų150123.4 Ų123.479%0.78569%0.686SS**THydrogen-bonded Turntrans-75.316.8160.7-66.5176.4000112.5E152E152-L154 PolarHBondContact O-N 3.2Å
155S56.5Low43Very low44 Ų44123.2 Ų123.231%0.30868%0.682SS.*THydrogen-bonded Turntrans-99.3-35.1177.290.30000112.6D153 L157 K158 K159D153-S155 PolarHBondContact O-N 2.59Å; D153-S155 VanDerWaalsContact OD1-CA 3.24Å; D153-S155 WeakPolarHBondContact OD1-CA 3.41Å; D153-S155 WeakPolarHBondContact OD1-CB 3.37Å; D153-S155 PolarHBondContact OD1-N 2.58Å; D153-S155 PolarHBondContact OD1-OG 2.74Å; S155-L157 PolarHBondContact O-N 3.12Å; S155-K158 PolarHBondContact O-N 3.49Å; S155-K158 VanDerWaalsContact O-N 3.11Å; S155-K159 WeakPolarHBondContact O-CG 3.18Å; S155-K159 PolarHBondContact O-N 3.43Å; S155-K159 WeakPolarHBondContact OG-CE 3.24Å; S155-K159 PolarHBondContact OG-NZ 3.31Å
156L53.5Low43.2Very low98 Ų98124.2 Ų124.251%0.51369%0.691SS.*Hα-helixtrans-57.3-47.1179.8-81.7165.9000112.2D153 K158 K159 L160D153-L156 HydrophobicContact CB-CD1 4.13Å; D153-L156 PolarHBondContact OD1-N 3.1Å; D153-L156 WeakPolarHBondContact OD2-CD1 3.41Å; D153-L156 WeakPolarHBondContact OD2-CG 3.2Å; L156-K158 PolarHBondContact O-N 3.19Å; L156-K159 PolarHBondContact O-N 3.23Å; L156-L160 PolarHBondContact O-N 3.42Å
157L48.7Very low43.1Very low132 Ų132125.2 Ų125.269%0.69170%0.695SS**Hα-helixtrans-64-26.9179.7-143.975.5000112.7S155 L161S155-L157 PolarHBondContact O-N 3.12Å; L157-L161 WeakPolarHBondContact O-CD1 3.38Å
158K51.1Low43.6Very low159 Ų159123.6 Ų123.669%0.69169%0.694SS**Hα-helixtrans-82.5-30171.9-85.4179.1174.8170.70113.5S155 L156S155-K158 PolarHBondContact O-N 3.49Å; S155-K158 VanDerWaalsContact O-N 3.11Å; L156-K158 PolarHBondContact O-N 3.19Å
159K55.1Low43.9Very low137 Ų137127.8 Ų127.860%0.59671%0.709SS**Hα-helixtrans-70.6-37.7175.1-73.1161.8176.2162.60111.7S155 L156 L161S155-K159 WeakPolarHBondContact O-CG 3.18Å; S155-K159 PolarHBondContact O-N 3.43Å; S155-K159 WeakPolarHBondContact OG-CE 3.24Å; S155-K159 PolarHBondContact OG-NZ 3.31Å; L156-K159 PolarHBondContact O-N 3.23Å; K159-L161 VanDerWaalsContact C-N 3.35Å; K159-L161 PolarHBondContact O-N 3.28Å
160L52.3Low43.7Very low146 Ų146126.8 Ų126.876%0.76471%0.708SS**Hα-helixtrans-68.7-28.5177.4-103.4157.4000113.8L156L156-L160 PolarHBondContact O-N 3.42Å
161L50.2Low44Very low139 Ų139126.7 Ų126.773%0.72871%0.711SS**THydrogen-bonded Turntrans-910.1-174.5-77.4171.8000115.1L157 K159L157-L161 WeakPolarHBondContact O-CD1 3.38Å; K159-L161 VanDerWaalsContact C-N 3.35Å; K159-L161 PolarHBondContact O-N 3.28Å
162L46.8Very low44Very low125 Ų125128.4 Ų128.465%0.65472%0.715SS**SBendtrans-137.2113.1179.8-77.197.2000114.5
163T33.9Very low43.6Very low131 Ų131125.2 Ų125.280%0.80471%0.707SS**  trans101.7119.3155.8-34.10000116.8
164P48.1Very low43.1Very low117 Ų117129 Ų12976%0.7672%0.722SS**  trans-88.1163.2174.239.5-37.5000111.8
165P43.9Very low42.5Very low121 Ų121130.4 Ų130.479%0.78672%0.722SS**  -153.4-169.189.142.6-23.5000115.6
166N36.3Very low41.4Very low156 Ų156135.6 Ų135.683%0.83475%0.746SS**  trans-104166.4176.8-108.2-29000112.6
167V41.1Very low40.3Very low138 Ų138134.7 Ų134.784%0.83676%0.76SS**  trans79.7143.8162.8167.30000117.3
168P38.5Very low39.5Very low116 Ų116134.4 Ų134.475%0.75376%0.764SS**  trans-115.3172-152.242-31.6000116.7
169T31.6Very low38.6Very low140 Ų140135 Ų13586%0.85977%0.769SS**  trans-96.8149.4161.550.80000110.8
170G30.7Very low37.3Very low71 Ų71133.5 Ų133.573%0.73278%0.776SS**  cis129.6119.3-2.800000113.7
171I36.2Very low36.3Very low167 Ų167135.9 Ų135.986%0.85678%0.783SS**  trans-151.4110.9163.237.4172.4000106.3
172D32.1Very low35.4Very low153 Ų153137.1 Ų137.182%0.81878%0.778SS**  91.6166.370.6-170.137.2000112.4
173V34.9Very low34.5Very low103 Ų103137.9 Ų137.962%0.62477%0.773SS**  trans99.185.6173.2-169.40000116.4
174H34.6Very low34.2Very low166 Ų166134.4 Ų134.477%0.76975%0.754SS**  trans99.2113.7139.3-65.4-8.7000123.1
175K37.2Very low33.3Very low179 Ų179133.5 Ų133.578%0.77875%0.751SS**  trans81.1115.8135-74.2-168.6168.3-174.80123.2
176D31.7Very low32.7Very low153 Ų153139.5 Ų139.582%0.81876%0.757SS**  38.4111.8123.6-52.5-39.5000120
177G31.8Very low32.3Very low79 Ų79136.9 Ų136.981%0.81475%0.751SS**  trans-17648.7176.200000119.2
178V31.7Very low31.9Very low127 Ų127137.4 Ų137.477%0.7775%0.749SS**  trans-27144.4171.31710000118.3
179Q31.5Very low31.4Very low172 Ų172142.6 Ų142.680%0.80475%0.753SS**  trans76.2113.7171.8-72154.82800116.2
180S27.9Very low31.2Very low105 Ų105143.1 Ų143.173%0.73475%0.75SS**  67.9107.864.9-66.20000115
181H31.4Very low31.2Very low196 Ų196151 Ų15191%0.90776%0.758SS**  trans-163.6134131.3-109.4-73000114.2
182R30.6Very low31.2Very low164 Ų164148.4 Ų148.462%0.61975%0.752SS**  trans-66.7154.5171-53.2154.3172.3-158.34.1112L584R182-L584 HydrophobicContact CB-CD1 3.62Å; R182-L584 HydrophobicContact CG-CD1 3.82Å
183Y29.4Very low30.9Very low141 Ų141147.9 Ų147.955%0.55375%0.754SS**  -179.1169.697.9-112.5-84.8000113.3D583 L584Y183-D583 WeakPolarHBondContact CE1-OD2 3.36Å; Y183-D583 VanDerWaalsContact CZ-OD2 3.27Å; Y183-D583 WeakPolarHBondContact OH-CB 3.3Å; Y183-D583 PolarHBondContact OH-OD2 3.34Å; Y183-L584 HydrophobicContact CD1-CD1 3.71Å; Y183-L584 HydrophobicContact CD1-CD2 4.06Å; Y183-L584 HydrophobicContact CD1-CG 4.14Å; Y183-L584 HydrophobicContact CD2-CD1 4.11Å; Y183-L584 HydrophobicContact CE1-CD1 3.51Å; Y183-L584 HydrophobicContact CE1-CD2 4.03Å; Y183-L584 HydrophobicContact CE1-CG 3.71Å; Y183-L584 HydrophobicContact CE2-CD1 3.91Å; Y183-L584 HydrophobicContact CG-CD1 3.97Å
184S26.2Very low31Very low58 Ų58154 Ų15441%0.40677%0.766SS.*  trans-125.7140-174.4-172.70000113.5
185S29.4Very low31Very low99 Ų99151.8 Ų151.869%0.69277%0.766SS**  trans65.2135.5143-64.40000123.9
186R31.7Very low30.6Very low246 Ų246150.2 Ų150.293%0.92877%0.766SS**  trans82.2118.8139.8-81.2179.9175.2-168.6-0.9122
187S27.7Very low30.6Very low101 Ų101147.9 Ų147.971%0.70676%0.757SS**  123.3109.2118-157.10000118.6
188L32.6Very low30.7Very low149 Ų149153.5 Ų153.578%0.7876%0.759SS**  trans45.8117.1139.4-54.5173.4000121.1
189R27.9Very low30.6Very low225 Ų225152.8 Ų152.885%0.84976%0.759SS**  169.8120.1104-90.8178.1-173.6-144-0.3116.3
190L29.1Very low30.2Very low152 Ų152152.1 Ų152.180%0.79676%0.761SS**  trans47.6127.7134.9-59.1174.1000123.8
191R30.2Very low30.4Very low235 Ų235155.1 Ų155.189%0.88777%0.768SS**  trans75.8159.1150.9-78.6-174.7178-170.20.6117
192P36.1Very low30.5Very low114 Ų114151.7 Ų151.774%0.7476%0.764SS**  cis-144.5164.628.142.6-22.7000121.7
193V25.9Very low31Very low141 Ų141151.7 Ų151.786%0.85578%0.775SS**  trans75.3151143.6165.20000122.1
194R36.1Very low30.9Very low232 Ų232151.6 Ų151.688%0.87578%0.78SS**  trans-133.2160.1174.4-69-179.7176.4169.9-4.2111.2
195P35.4Very low31.2Very low119 Ų119158.7 Ų158.777%0.77380%0.797SS**  trans-112.5141.8133.3-1.923.2000110.8
196L28Very low31.4Very low147 Ų147163 Ų16377%0.7780%0.804SS**  84.1122.961.9-159.568.1000110.8
197T32.6Very low31.8Very low104 Ų104157.3 Ų157.364%0.63880%0.799SS**  cis-159.9136.643.3-30.20000114.1
198K33Very low32Very low196 Ų196164 Ų16485%0.85281%0.808SS**  trans43.7157.1144.7-65.5172.3-171.6176.70121.7
199S29.4Very low32Very low112 Ų112161.8 Ų161.878%0.78381%0.812SS**  cis-146.5163.915520000114.3
200D23.8Very low32.3Very low158 Ų158157.8 Ų157.885%0.84581%0.812SS**  trans-75163.4-175.5-56.8-87.3000117.5
201L31.6Very low32.7Very low168 Ų168161.8 Ų161.888%0.8882%0.817SS**  trans-129.7149.5163.8-85.6170.1000110.5
202P33.7Very low33.1Very low125 Ų125156.5 Ų156.581%0.81281%0.813SS**  trans-86157.7-178.334.3-35.2000114.7
203L40.7Very low33.3Very low164 Ų164157.4 Ų157.486%0.85982%0.816SS**  trans-87136.8-177.9170.771.5000113.4
204E28.3Very low34Very low139 Ų139156.1 Ų156.165%0.6581%0.814SS**  trans-150173156.3-103.3-56.9163.100112.7
205R32Very low34.8Very low206 Ų206155 Ų15578%0.77781%0.809SS**  trans-73.6158.3-150.1-76.8153.6176.473.5-9.4120.9
206K34.3Very low35.7Very low189 Ų189155.4 Ų155.482%0.82281%0.805SS**  trans-53.4160.8163.7-72.4167.9171.5162.30114.7
207P39.2Very low36.6Very low128 Ų128153.7 Ų153.783%0.83180%0.804SS**  -123.4-17610736.9-33.7000114.4
208R31.7Very low37.6Very low240 Ų240153.4 Ų153.491%0.90680%0.802SS**  trans-108.4155-176.7-69.4173168.3163.4-6.3111.8
209A32.6Very low39.2Very low103 Ų103147.7 Ų147.785%0.85178%0.778SS**  trans-122.2160.3158.800000110.5
210V34.3Very low40.8Very low142 Ų142147.8 Ų147.886%0.86177%0.769SS**  trans-110.1139.9-174.5176.80000110.3
211R37.8Very low42.7Very low235 Ų235146.5 Ų146.589%0.88776%0.758SS**PPolyproline II helixtrans-86139.1175.9-75.3-178.9170.7160.5-5111.9
212P38.1Very low44.5Very low124 Ų124143.8 Ų143.881%0.80574%0.736SS**PPolyproline II helixtrans-77.7165.9159.934-33.3000111.5
213T40.9Very low45.9Very low133 Ų133143.4 Ų143.482%0.81672%0.723SS**PPolyproline II helixtrans-102.9160.2-173.843.90000114.1
214S40.7Very low47Very low114 Ų114142.4 Ų142.480%0.79772%0.718SS**PPolyproline II helixtrans-64.8139.4-173.342.90000114.7
215R52.3Low48.1Very low208 Ų208140.4 Ų140.479%0.78572%0.715SS**  trans-133.1-0.4170.6-73.6-169.8171.6-138.70.6114.8C217 T218R215-C217 VanDerWaalsContact C-N 3.33Å; R215-C217 PolarHBondContact O-N 3.5Å; R215-T218 PolarHBondContact O-N 2.94Å; R215-T218 PolarHBondContact O-OG1 3.22Å
216L54.5Low49.2Very low129 Ų129134.2 Ų134.268%0.67570%0.7SS**THydrogen-bonded Turntrans-64.1-30.8-164.7-56177.8000114.4T218 E219 L220L216-T218 VanDerWaalsContact C-N 3.32Å; L216-T218 PolarHBondContact O-N 3.04Å; L216-E219 WeakPolarHBondContact O-CB 3.41Å; L216-E219 PolarHBondContact O-N 2.9Å; L216-L220 PolarHBondContact O-N 3.36Å
217C47.4Very low49.4Very low110 Ų110130 Ų13074%0.74370%0.701SS**Hα-helixtrans-69.9-25.5-175.9-470000113.9R215 E219R215-C217 VanDerWaalsContact C-N 3.33Å; R215-C217 PolarHBondContact O-N 3.5Å; C217-E219 VanDerWaalsContact C-N 3.33Å
218T54.4Low49.5Very low98 Ų98132 Ų13260%0.60170%0.699SS**Hα-helixtrans-86-8.8172.847.40000113.2R215 L216 R222R215-T218 PolarHBondContact O-N 2.94Å; R215-T218 PolarHBondContact O-OG1 3.22Å; L216-T218 VanDerWaalsContact C-N 3.32Å; L216-T218 PolarHBondContact O-N 3.04Å; T218-R222 PolarHBondContact O-NH1 2.88Å
219E66.6Low49.6Very low77 Ų77128.5 Ų128.536%0.3670%0.698SS.*Hα-helixtrans-79.7-57.3174.4-13765.4178.600109.2L216 C217 H221 R222 H223L216-E219 WeakPolarHBondContact O-CB 3.41Å; L216-E219 PolarHBondContact O-N 2.9Å; C217-E219 VanDerWaalsContact C-N 3.33Å; E219-H221 PolarHBondContact O-N 2.76Å; E219-R222 WeakPolarHBondContact O-CB 3.27Å; E219-R222 PolarHBondContact O-N 3.21Å; E219-R222 IonicContact OE1-CZ 2.66Å; E219-R222 IonicContact OE1-NH1 2.68Å; E219-R222 IonicContact OE1-NH2 3.8Å; E219-R222 PolarHBondContact OE1-NH2 3.27Å; E219-R222 IonicContact OE2-CZ 3.8Å; E219-R222 IonicContact OE2-NH1 2.75Å; E219-R222 PolarHBondContact OE2-NH1 3.07Å; E219-R222 IonicContact OE2-NH2 3.41Å; E219-R222 PolarHBondContact OE2-NH2 3.35Å; E219-H223 PolarHBondContact O-CD2 2.71Å; E219-H223 PolarHBondContact O-N 3.27Å
220L61.1Low49.6Very low113 Ų113128.8 Ų128.859%0.59269%0.69SS**Hα-helixtrans-54.5-46.9179.1-81.4160000113.2L216 R222 H223 L224L216-L220 PolarHBondContact O-N 3.36Å; L220-R222 PolarHBondContact O-N 2.97Å; L220-H223 PolarHBondContact O-N 2.83Å; L220-L224 WeakPolarHBondContact O-CB 3.34Å; L220-L224 VanDerWaalsContact O-CG 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.18Å; L220-L224 PolarHBondContact O-N 2.76Å
221H64.4Low49.6Very low132 Ų132131.3 Ų131.361%0.61169%0.692SS**Hα-helixtrans-64.3-26.9179.8-173.454.3000113.2E219 T225E219-H221 PolarHBondContact O-N 2.76Å; H221-T225 WeakPolarHBondContact O-CG2 3.49Å; H221-T225 PolarHBondContact O-N 3.23Å; H221-T225 PolarHBondContact O-OG1 3.11Å
222R70.3Confident49.4Very low111 Ų111128 Ų12842%0.41969%0.692SS.*Hα-helixtrans-74.4-49.4174.2-172.8171.971.2-108.211.5110.9T218 E219 L220 L224 T225 T226T218-R222 PolarHBondContact O-NH1 2.88Å; E219-R222 WeakPolarHBondContact O-CB 3.27Å; E219-R222 PolarHBondContact O-N 3.21Å; E219-R222 IonicContact OE1-CZ 2.66Å; E219-R222 IonicContact OE1-NH1 2.68Å; E219-R222 IonicContact OE1-NH2 3.8Å; E219-R222 PolarHBondContact OE1-NH2 3.27Å; E219-R222 IonicContact OE2-CZ 3.8Å; E219-R222 IonicContact OE2-NH1 2.75Å; E219-R222 PolarHBondContact OE2-NH1 3.07Å; E219-R222 IonicContact OE2-NH2 3.41Å; E219-R222 PolarHBondContact OE2-NH2 3.35Å; L220-R222 PolarHBondContact O-N 2.97Å; R222-L224 VanDerWaalsContact C-N 3.25Å; R222-L224 PolarHBondContact O-N 3.43Å; R222-T225 PolarHBondContact O-N 3.2Å; R222-T225 PolarHBondContact O-OG1 3.21Å; R222-T226 HydrophobicContact CG-CG2 4.48Å; R222-T226 PolarHBondContact O-N 2.73Å; R222-T226 PolarHBondContact O-OG1 3.49Å
223H63.5Low49Very low117 Ų117126.1 Ų126.154%0.54269%0.687SS.*Hα-helixtrans-61.2-33177.6-67.9-66.3000113E219 L220 T225E219-H223 PolarHBondContact O-CD2 2.71Å; E219-H223 PolarHBondContact O-N 3.27Å; L220-H223 PolarHBondContact O-N 2.83Å; H223-T225 VanDerWaalsContact C-N 3.3Å; H223-T225 PolarHBondContact O-N 3.42Å
224L63.7Low48.7Very low143 Ų143125.6 Ų125.675%0.74969%0.686SS**THydrogen-bonded Turntrans-78.3-4.7175.1-68.7168.7000114.6L220 R222L220-L224 WeakPolarHBondContact O-CB 3.34Å; L220-L224 VanDerWaalsContact O-CG 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.18Å; L220-L224 PolarHBondContact O-N 2.76Å; R222-L224 VanDerWaalsContact C-N 3.25Å; R222-L224 PolarHBondContact O-N 3.43Å
225T50.3Low47.9Very low97 Ų97126.9 Ų126.960%0.59569%0.689SS**THydrogen-bonded Turntrans-122.4-7.5179.952.20000114H221 R222 H223H221-T225 WeakPolarHBondContact O-CG2 3.49Å; H221-T225 PolarHBondContact O-N 3.23Å; H221-T225 PolarHBondContact O-OG1 3.11Å; R222-T225 PolarHBondContact O-N 3.2Å; R222-T225 PolarHBondContact O-OG1 3.21Å; H223-T225 VanDerWaalsContact C-N 3.3Å; H223-T225 PolarHBondContact O-N 3.42Å
226T54.7Low47Very low75 Ų75124.7 Ų124.746%0.4669%0.687SS.*SBendtrans-94.3117.7165.951.70000109.9R222 Q228R222-T226 HydrophobicContact CG-CG2 4.48Å; R222-T226 PolarHBondContact O-N 2.73Å; R222-T226 PolarHBondContact O-OG1 3.49Å; T226-Q228 PolarHBondContact O-N 3.27Å
227A39.7Very low45.8Very low101 Ų101125.6 Ų125.684%0.83569%0.693SS**  trans-58.2136.6163.200000109.3D229A227-D229 PolarHBondContact O-N 3.08Å
228Q40.2Very low45.1Very low170 Ų170126.7 Ų126.779%0.79470%0.696SS**  trans-81.8101.2175.7-74.5-176-99.700109.4T226 T230T226-Q228 PolarHBondContact O-N 3.27Å; Q228-T230 HydrophobicContact CB-CG2 4.23Å
229D33.4Very low44Very low166 Ų166128.8 Ų128.889%0.88870%0.703SS**  trans-83.2115.4156.6-132.1-8.2000106.3A227A227-D229 PolarHBondContact O-N 3.08Å
230T32.8Very low42.5Very low110 Ų110133.6 Ų133.668%0.67573%0.726SS**  trans-115.494.2-174.745.50000111.7Q228Q228-T230 HydrophobicContact CB-CG2 4.23Å
231E35.3Very low41Very low194 Ų194132 Ų13291%0.90774%0.736SS**  trans-110.7135.1156.5-71.2-98.9108.700107
232D33Very low39.5Very low167 Ų167134.2 Ų134.289%0.89375%0.747SS**  trans-108.9-170-158.5-152.2-15.4000113.6
233A29Very low37.7Very low83 Ų83135.3 Ų135.369%0.68676%0.761SS**  trans96.1121.8165.600000117.6
234P35.1Very low36.4Very low122 Ų122138 Ų13879%0.79277%0.774SS**  trans-87.3162.4171.336.6-34.9000112.3
235V25.1Very low35.2Very low142 Ų142138.2 Ų138.286%0.86177%0.771SS**  trans-117.5124.1166.2-177.90000108.8
236H31.6Very low34.4Very low161 Ų161141.2 Ų141.275%0.74578%0.778SS**  trans-125.9114.8171.2-170.5-64000108.9T238H236-T238 PolarHBondContact O-N 2.95Å
237D29.9Very low33.5Very low149 Ų149143.8 Ų143.880%0.79779%0.789SS**  trans-65.7121.7174.6-68.7-54.6000110.5
238T33Very low33.5Very low132 Ų132147.1 Ų147.181%0.8179%0.787SS**  trans-154.4154.9150.22.20000109.4H236H236-T238 PolarHBondContact O-N 2.95Å
239D30.6Very low33.2Very low142 Ų142145.4 Ų145.476%0.75978%0.784SS**  trans-118.4160-160.7-1571.6000111.6
240E35Very low33.4Very low179 Ų179141.8 Ų141.884%0.83677%0.771SS**  trans63.5134.2174-49.3-75.3-159.600118
241G30.4Very low33.3Very low78 Ų78144.1 Ų144.180%0.80478%0.775SS**  trans155.597.4169.700000115.7
242E33.6Very low33Very low179 Ų179140.3 Ų140.384%0.83677%0.769SS**  trans-66.3175.9-171.2-60.3164129.700117.4
243D32.2Very low33.1Very low135 Ų135139.9 Ų139.972%0.72276%0.762SS**  trans77.5120.7161.3-55.9-15.8000118.3
244E36.5Very low33.3Very low173 Ų173143.3 Ų143.381%0.80876%0.764SS**  70.2137.178.3-66.9-171.3-179.400113
245E37.3Very low33.3Very low148 Ų148143.3 Ų143.369%0.69276%0.757SS**  cis-165169.9-4.8-105.4-69.7-15900107.8
246E35Very low34Very low159 Ų159143.8 Ų143.874%0.74375%0.75SS**  trans58.9163.9154.1-70.3168.2-167.400119.1
247D34.1Very low34.3Very low129 Ų129143.7 Ų143.769%0.6975%0.75SS**  cis-163.1165.4-39.9-110.6-14.5000108.7
248E39.6Very low34.7Very low171 Ų171143.9 Ų143.980%0.79975%0.746SS**  trans53.6156.8149.1-73-174.6-172.700121.5
249D34.5Very low34.8Very low134 Ų134146.1 Ų146.172%0.71775%0.748SS**  cis-164.1-177.3-36.2-144.9-20.6000108.6
250S37.5Very low34.8Very low90 Ų90143.1 Ų143.163%0.62975%0.75SS**  trans67.3163.8155.7-72.20000119
251E30.5Very low34.7Very low160 Ų160142.9 Ų142.975%0.74875%0.749SS**  cis-178.1178.1-38.3-113.6165.2-92.800107.9
252S29.2Very low34.7Very low113 Ų113147 Ų14779%0.7975%0.747SS**  trans72.3148.2163.967.20000119.5
253E36Very low34.6Very low158 Ų158145.9 Ų145.974%0.73874%0.742SS**  cis173.4163.9-37.2-94.2-93.9-144.700106.5
254E32.8Very low34.6Very low155 Ų155147.3 Ų147.372%0.72474%0.744SS**  trans63.2155156.5-65.5154.9-151.100118.4
255D34.6Very low34.5Very low123 Ų123146.1 Ų146.166%0.65874%0.739SS**  cis-159.9159.8-15.7-110.4-12.2000114.2
256E40.8Very low34.3Very low151 Ų151145.8 Ų145.871%0.70674%0.737SS**  trans37.7140.8142.7-64.7-173.3155.800126.8
257E36.9Very low34Very low160 Ų160145.6 Ų145.675%0.74874%0.736SS**  trans68.4155.3139.3-74.4-178.7-177.900122.2
258E39.5Very low33.9Very low152 Ų152144.5 Ų144.571%0.7174%0.738SS**  cis-160.5159.2-20178.5170.2-120.800109.1
259E34.1Very low33.5Very low180 Ų180142.2 Ų142.284%0.84174%0.742SS**  trans20.5149.4166.5-68.6-174.1171.100124.5
260G31.4Very low33.3Very low78 Ų78141.4 Ų141.480%0.80475%0.746SS**  trans179.9124.9166.600000112.3
261E31.9Very low33Very low174 Ų174143 Ų14381%0.81376%0.757SS**  trans-100.4169-171.7-59.6-179.4114.200114.1
262E30.6Very low33Very low164 Ų164144.1 Ų144.177%0.76676%0.762SS**  trans77.8137.1149.9-79.5173.8179.600123.5
263E32.2Very low33.3Very low157 Ų157144.9 Ų144.973%0.73476%0.762SS**  trans68106143.4-69.6-172.6178.600123.7
264E32Very low33.3Very low164 Ų164146.5 Ų146.577%0.76677%0.77SS**  75.9139.9114.3-77.2-163.1177.800124.6
265E33.5Very low33.2Very low149 Ų149142.5 Ų142.570%0.69677%0.77SS**  trans71.7124.4142.3-66.4-77.693.300122.4
266E33.8Very low33Very low141 Ų141141.6 Ų141.666%0.65978%0.78SS**  trans81.9120.7136.2-62-73.273.900124.3
267E28.8Very low32.5Very low155 Ų155141.8 Ų141.872%0.72479%0.791SS**  trans51.1112.7136.7-56.2-149.6130.200123.5
268S31.8Very low32.3Very low105 Ų105139 Ų13973%0.73480%0.795SS**  40.8110119.5-56.10000120.4
269S31.2Very low31.9Very low124 Ų124136.5 Ų136.587%0.86780%0.801SS**  -178.1158112.8-85.30000114.9
270S29.8Very low32Very low117 Ų117132.3 Ų132.382%0.81880%0.797SS**  trans-76.5149.8169.951.30000113.2
271S31.2Very low32.3Very low122 Ų122134.8 Ų134.885%0.85380%0.799SS**  trans-146161.8154.361.40000110.2
272E31.7Very low32.4Very low184 Ų184129.2 Ų129.286%0.8679%0.788SS**  trans-115.8165.1-165.4-58.7-179.1108.600113.5
273V34.7Very low33.1Very low129 Ų129127.8 Ų127.878%0.78279%0.793SS**  trans107.9130.4136110.70000119.9
274E36.1Very low33.5Very low192 Ų192125 Ų12590%0.89780%0.796SS**  trans49.9143.4163.2-46.5-147.4133.900121.3
275G31.6Very low34.1Very low72 Ų72125.7 Ų125.774%0.74280%0.8SS**  cis173.2141.5-6.500000115.8
276A29.9Very low34.9Very low103 Ų103124.4 Ų124.485%0.85180%0.804SS**  trans46.5100.9153.400000122.1
277V29.9Very low35.9Very low155 Ų155122.3 Ų122.394%0.93981%0.811SS**  trans-135.1147.1131.9-175.70000108
278A32.2Very low37.3Very low101 Ų101119.1 Ų119.184%0.83581%0.811SS**  trans-101.5132.5-178.600000112.7
279A31.7Very low39Very low101 Ų101119.6 Ų119.684%0.83581%0.811SS**  trans-140.3167.7166.800000109.7
280A35.9Very low41Very low92 Ų92122 Ų12276%0.7681%0.809SS**  trans-72.5154.3-172.200000113.3G282A280-G282 PolarHBondContact O-N 3.18Å; A280-G282 VanDerWaalsContact O-N 3.12Å
281P37Very low43.3Very low130 Ų130119 Ų11984%0.84478%0.782SS**  trans-70.3106.4170.829.5-33.3000110.3
282G35.8Very low45.7Very low56 Ų56118.6 Ų118.658%0.57778%0.778SS**PPolyproline II helixtrans-65.1172.3155.200000111.1A280 A284A280-G282 PolarHBondContact O-N 3.18Å; A280-G282 VanDerWaalsContact O-N 3.12Å; G282-A284 PolarHBondContact O-N 2.81Å
283P45.3Very low48.4Very low135 Ų135112.3 Ų112.388%0.87776%0.755SS**PPolyproline II helixtrans-59.7130.3175.727-33.9000109.7
284A39Very low51.2Low97 Ų97111.6 Ų111.680%0.80275%0.747SS**PPolyproline II helixtrans-67.6134175.900000109.9G282G282-A284 PolarHBondContact O-N 2.81Å
285E44.5Very low53.8Low180 Ų180110.5 Ų110.584%0.84174%0.739SS**PPolyproline II helixtrans-53.5143.8168.7-79.7179.5102.500110.7A287E285-A287 PolarHBondContact O-N 3.5Å; E285-A287 VanDerWaalsContact O-N 3.16Å
286P50.9Low56.8Low122 Ų122110.5 Ų110.579%0.79272%0.719SS**PPolyproline II helixtrans-62.2119.9167.928-32.5000108.2A288P286-A288 PolarHBondContact O-N 3.38Å
287A54.4Low59.9Low96 Ų96108.9 Ų108.979%0.79370%0.696SS**PPolyproline II helixtrans-52.3132.7177.900000110.2E285E285-A287 PolarHBondContact O-N 3.5Å; E285-A287 VanDerWaalsContact O-N 3.16Å
288A59Low62.9Low88 Ų88107.2 Ų107.273%0.72768%0.678SS**PPolyproline II helixtrans-49137.8-174.900000111.3P286 Q290P286-A288 PolarHBondContact O-N 3.38Å; A288-Q290 PolarHBondContact O-N 3.18Å; A288-Q290 VanDerWaalsContact O-N 3.14Å
289P66.6Low65.9Low115 Ų115106 Ų10675%0.74766%0.664SS**PPolyproline II helixtrans-58.4123.5-174.223.9-33.7000110F291P289-F291 PolarHBondContact O-N 3.34Å
290Q73.3Confident68.9Low174 Ų174103.2 Ų103.281%0.81364%0.636SS**SBendtrans-62.7-8.9-175.7-171.2173.49.500113.7A288A288-Q290 PolarHBondContact O-N 3.18Å; A288-Q290 VanDerWaalsContact O-N 3.14Å
291F78.3Confident71.7Confident56 Ų56102.4 Ų102.425%0.24662%0.622CS.*SBendtrans-127.3136.6177.4-55-77000108.5P289 S293 E296 L297 V300P289-F291 PolarHBondContact O-N 3.34Å; F291-S293 PolarHBondContact O-N 3.45Å; F291-E296 HydrophobicContact CB-CB 4.26Å; F291-E296 HydrophobicContact CB-CG 4.33Å; F291-E296 HydrophobicContact CD1-CG 4.1Å; F291-L297 HydrophobicContact CB-CB 4.17Å; F291-L297 HydrophobicContact CD2-CB 3.93Å; F291-L297 HydrophobicContact CD2-CD1 3.74Å; F291-L297 HydrophobicContact CD2-CG 4.34Å; F291-L297 HydrophobicContact CE2-CD1 3.63Å; F291-L297 HydrophobicContact CG-CB 4.03Å; F291-L297 HydrophobicContact CZ-CD1 4.35Å; F291-V300 HydrophobicContact CD1-CG2 4.32Å; F291-V300 HydrophobicContact CE1-CB 4.15Å; F291-V300 HydrophobicContact CE1-CG1 4.02Å; F291-V300 HydrophobicContact CE1-CG2 3.96Å; F291-V300 HydrophobicContact CZ-CG1 4.28Å
292S81.7Confident74.4Confident112 Ų112103.2 Ų103.278%0.78361%0.614SS**SBendtrans-64.5-17.8-179.566.70000113.6E296S292-E296 WeakPolarHBondContact CB-OE2 3.43Å; S292-E296 PolarHBondContact N-OE2 3.12Å; S292-E296 PolarHBondContact OG-OE2 3.5Å
293S89.6Confident77.2Confident52 Ų52105.4 Ų105.436%0.36461%0.612SS.*SBendtrans-158.3158.1175.464.10000112.9F291 K295 E296 L297F291-S293 PolarHBondContact O-N 3.45Å; S293-K295 PolarHBondContact O-N 3.38Å; S293-K295 VanDerWaalsContact O-N 3.16Å; S293-E296 WeakPolarHBondContact O-CB 3.28Å; S293-E296 PolarHBondContact O-N 3.21Å; S293-E296 PolarHBondContact OG-N 3.33Å; S293-L297 PolarHBondContact O-N 2.86Å; S293-L297 VanDerWaalsContact O-N 3.07Å
294D91.6Very high79.5Confident115 Ų115103.1 Ų103.162%0.61559%0.591SS**Hα-helixtrans-54-32.2169.1-75-36.2000112.9L297 Q298D294-L297 PolarHBondContact O-N 2.69Å; D294-Q298 VanDerWaalsContact O-CB 3.28Å; D294-Q298 WeakPolarHBondContact O-CB 3.44Å; D294-Q298 WeakPolarHBondContact O-CG 3.33Å; D294-Q298 PolarHBondContact O-N 3.37Å; D294-Q298 PolarHBondContact O-NE2 3.22Å
295K92.1Very high82Confident168 Ų168102.4 Ų102.473%0.7358%0.577SS**Hα-helixtrans-68-37.4177.7-61.9175.7-174.9169.20111.6S293 S299S293-K295 PolarHBondContact O-N 3.38Å; S293-K295 VanDerWaalsContact O-N 3.16Å; K295-S299 WeakPolarHBondContact O-CB 3.42Å; K295-S299 PolarHBondContact O-N 2.78Å
296E94.1Very high84.3Confident72 Ų7299.7 Ų99.734%0.33656%0.56SS.*Hα-helixtrans-68.2-47.7174.3-173.1-170.8171.100110.5F291 S292 S293 Q298 S299 V300F291-E296 HydrophobicContact CB-CB 4.26Å; F291-E296 HydrophobicContact CB-CG 4.33Å; F291-E296 HydrophobicContact CD1-CG 4.1Å; S292-E296 WeakPolarHBondContact CB-OE2 3.43Å; S292-E296 PolarHBondContact N-OE2 3.12Å; S292-E296 PolarHBondContact OG-OE2 3.5Å; S293-E296 WeakPolarHBondContact O-CB 3.28Å; S293-E296 PolarHBondContact O-N 3.21Å; S293-E296 PolarHBondContact OG-N 3.33Å; E296-Q298 VanDerWaalsContact C-N 3.29Å; E296-Q298 PolarHBondContact O-N 3.11Å; E296-S299 WeakPolarHBondContact O-CB 3.29Å; E296-S299 PolarHBondContact O-N 3.01Å; E296-V300 WeakPolarHBondContact O-CB 3.31Å; E296-V300 WeakPolarHBondContact O-CG2 3.17Å; E296-V300 PolarHBondContact O-N 3.22Å
297L94.6Very high86.3Confident70 Ų7097.8 Ų97.837%0.36654%0.542SS..Hα-helixtrans-54.2-45.9173170.861.5000111.5F291 S293 D294 V300 V301F291-L297 HydrophobicContact CB-CB 4.17Å; F291-L297 HydrophobicContact CD2-CB 3.93Å; F291-L297 HydrophobicContact CD2-CD1 3.74Å; F291-L297 HydrophobicContact CD2-CG 4.34Å; F291-L297 HydrophobicContact CE2-CD1 3.63Å; F291-L297 HydrophobicContact CG-CB 4.03Å; F291-L297 HydrophobicContact CZ-CD1 4.35Å; S293-L297 PolarHBondContact O-N 2.86Å; S293-L297 VanDerWaalsContact O-N 3.07Å; D294-L297 PolarHBondContact O-N 2.69Å; L297-V300 PolarHBondContact O-N 3.32Å; L297-V301 HydrophobicContact CD1-CG2 4.18Å; L297-V301 WeakPolarHBondContact O-CB 3.48Å; L297-V301 VanDerWaalsContact O-CG2 3.27Å; L297-V301 WeakPolarHBondContact O-CG2 3.4Å; L297-V301 PolarHBondContact O-N 3.19Å
298Q93.3Very high87.6Confident120 Ų12098.3 Ų98.356%0.56153%0.528SS*.Hα-helixtrans-67.5-40.4178.7-71.6159.624.800112.1D294 E296 V301 E302D294-Q298 VanDerWaalsContact O-CB 3.28Å; D294-Q298 WeakPolarHBondContact O-CB 3.44Å; D294-Q298 WeakPolarHBondContact O-CG 3.33Å; D294-Q298 PolarHBondContact O-N 3.37Å; D294-Q298 PolarHBondContact O-NE2 3.22Å; E296-Q298 VanDerWaalsContact C-N 3.29Å; E296-Q298 PolarHBondContact O-N 3.11Å; Q298-V301 PolarHBondContact O-N 2.83Å; Q298-E302 WeakPolarHBondContact O-CB 3.26Å; Q298-E302 PolarHBondContact O-N 3.07Å
299S94.8Very high88.6Confident75 Ų7598.7 Ų98.752%0.52452%0.521SS..Hα-helixtrans-62-44173.6-178.20000111.9K295 E296 E302 L303K295-S299 WeakPolarHBondContact O-CB 3.42Å; K295-S299 PolarHBondContact O-N 2.78Å; E296-S299 WeakPolarHBondContact O-CB 3.29Å; E296-S299 PolarHBondContact O-N 3.01Å; S299-E302 PolarHBondContact O-N 3.12Å; S299-L303 VanDerWaalsContact O-CB 3.29Å; S299-L303 WeakPolarHBondContact O-CB 3.16Å; S299-L303 PolarHBondContact O-N 3.44Å
300V94.5Very high89Confident42 Ų42100.8 Ų100.826%0.25552%0.515SS..Hα-helixtrans-66.1-40.7176.11700000111F291 E296 L297 L303 I304F291-V300 HydrophobicContact CD1-CG2 4.32Å; F291-V300 HydrophobicContact CE1-CB 4.15Å; F291-V300 HydrophobicContact CE1-CG1 4.02Å; F291-V300 HydrophobicContact CE1-CG2 3.96Å; F291-V300 HydrophobicContact CZ-CG1 4.28Å; E296-V300 WeakPolarHBondContact O-CB 3.31Å; E296-V300 WeakPolarHBondContact O-CG2 3.17Å; E296-V300 PolarHBondContact O-N 3.22Å; L297-V300 PolarHBondContact O-N 3.32Å; V300-L303 PolarHBondContact O-N 3.03Å; V300-I304 HydrophobicContact CG1-CD1 3.71Å; V300-I304 HydrophobicContact CG1-CG1 4.4Å; V300-I304 VanDerWaalsContact O-CB 3.28Å; V300-I304 WeakPolarHBondContact O-CB 3.23Å; V300-I304 WeakPolarHBondContact O-CD1 3.24Å; V300-I304 WeakPolarHBondContact O-CG1 3.49Å; V300-I304 PolarHBondContact O-N 2.95Å
301V94.6Very high89.1Confident76 Ų7696.6 Ų96.646%0.46150%0.504SS..Hα-helixtrans-65.5-39.2173.8167.90000111.9L297 Q298 T305L297-V301 HydrophobicContact CD1-CG2 4.18Å; L297-V301 WeakPolarHBondContact O-CB 3.48Å; L297-V301 VanDerWaalsContact O-CG2 3.27Å; L297-V301 WeakPolarHBondContact O-CG2 3.4Å; L297-V301 PolarHBondContact O-N 3.19Å; Q298-V301 PolarHBondContact O-N 2.83Å; V301-T305 VanDerWaalsContact O-CB 3.26Å; V301-T305 WeakPolarHBondContact O-CB 3.32Å; V301-T305 PolarHBondContact O-N 3.11Å; V301-T305 PolarHBondContact O-OG1 3.41Å
302E94.1Very high88.6Confident147 Ų14799.5 Ų99.569%0.68752%0.521SS*.Hα-helixtrans-68.7-41.5175.2-174.5161.7-152.500111.5Q298 S299 T305 Y306Q298-E302 WeakPolarHBondContact O-CB 3.26Å; Q298-E302 PolarHBondContact O-N 3.07Å; S299-E302 PolarHBondContact O-N 3.12Å; E302-T305 PolarHBondContact O-N 2.97Å; E302-Y306 VanDerWaalsContact O-CB 3.24Å; E302-Y306 WeakPolarHBondContact O-CB 3.3Å; E302-Y306 PolarHBondContact O-N 3.48Å
303L95.1Very high87.1Confident102 Ų10298.4 Ų98.453%0.53451%0.512SS..Hα-helixtrans-62.2-45.1173.7177.660.5000112S299 V300 T305 Y306 M307S299-L303 VanDerWaalsContact O-CB 3.29Å; S299-L303 WeakPolarHBondContact O-CB 3.16Å; S299-L303 PolarHBondContact O-N 3.44Å; V300-L303 PolarHBondContact O-N 3.03Å; L303-T305 VanDerWaalsContact C-N 3.34Å; L303-Y306 PolarHBondContact O-N 3.5Å; L303-M307 HydrophobicContact CD1-CG 4.29Å; L303-M307 WeakPolarHBondContact O-CB 3.33Å; L303-M307 VanDerWaalsContact O-CG 3.3Å; L303-M307 WeakPolarHBondContact O-CG 3.26Å; L303-M307 PolarHBondContact O-N 3.31Å
304I92.7Very high85.4Confident86 Ų86105.3 Ų105.344%0.44154%0.54SS..Hα-helixtrans-61.4-43.7174-74.5168.2000110.3V300 M307 H308V300-I304 HydrophobicContact CG1-CD1 3.71Å; V300-I304 HydrophobicContact CG1-CG1 4.4Å; V300-I304 VanDerWaalsContact O-CB 3.28Å; V300-I304 WeakPolarHBondContact O-CB 3.23Å; V300-I304 WeakPolarHBondContact O-CD1 3.24Å; V300-I304 WeakPolarHBondContact O-CG1 3.49Å; V300-I304 PolarHBondContact O-N 2.95Å; I304-M307 PolarHBondContact O-N 3.47Å; I304-H308 WeakPolarHBondContact O-CB 3.43Å; I304-H308 PolarHBondContact O-CD2 2.69Å; I304-H308 PolarHBondContact O-N 3.36Å
305T91.4Very high83.6Confident82 Ų82110.1 Ų110.150%0.50355%0.55SS.*Hα-helixtrans-63.3-47.4177.3-61.30000111.3V301 E302 L303 H308 T309V301-T305 VanDerWaalsContact O-CB 3.26Å; V301-T305 WeakPolarHBondContact O-CB 3.32Å; V301-T305 PolarHBondContact O-N 3.11Å; V301-T305 PolarHBondContact O-OG1 3.41Å; E302-T305 PolarHBondContact O-N 2.97Å; L303-T305 VanDerWaalsContact C-N 3.34Å; T305-H308 PolarHBondContact O-N 3.18Å; T305-T309 WeakPolarHBondContact O-CG2 3.43Å; T305-T309 PolarHBondContact O-N 3.49Å; T305-T309 VanDerWaalsContact O-N 3.11Å
306Y93Very high81.7Confident124 Ų124111 Ų11149%0.48655%0.554SS.*Hα-helixtrans-57.9-52.9175.8178.9-96000110.7E302 L303 H308 T309 Y310E302-Y306 VanDerWaalsContact O-CB 3.24Å; E302-Y306 WeakPolarHBondContact O-CB 3.3Å; E302-Y306 PolarHBondContact O-N 3.48Å; L303-Y306 PolarHBondContact O-N 3.5Å; Y306-H308 VanDerWaalsContact C-N 3.32Å; Y306-H308 PolarHBondContact O-N 3.17Å; Y306-T309 PolarHBondContact O-N 3.32Å; Y306-T309 PolarHBondContact O-OG1 3.16Å; Y306-Y310 HydrophobicContact CD1-CD2 4.37Å; Y306-Y310 HydrophobicContact CD1-CE2 4.31Å; Y306-Y310 AromaticContact CD2-CE2 3.92Å; Y306-Y310 HydrophobicContact CD2-CE2 3.92Å; Y306-Y310 HydrophobicContact CE1-CD2 4.13Å; Y306-Y310 AromaticContact CE1-CE2 3.93Å; Y306-Y310 HydrophobicContact CE1-CE2 3.93Å; Y306-Y310 HydrophobicContact CE2-CD2 4.45Å; Y306-Y310 AromaticContact CE2-CE2 3.52Å; Y306-Y310 HydrophobicContact CE2-CE2 3.52Å; Y306-Y310 HydrophobicContact CG-CE2 4.3Å; Y306-Y310 AromaticContact CZ-CE2 3.5Å; Y306-Y310 VanDerWaalsContact O-CD2 3.25Å; Y306-Y310 WeakPolarHBondContact O-CD2 3.07Å
307M93.4Very high79.6Confident82 Ų82116.9 Ų116.940%0.40458%0.581SS.*Hα-helixtrans-54.9-44.4174-75.6-67.6106.100111.8L303 I304 T309 Y310 C311L303-M307 HydrophobicContact CD1-CG 4.29Å; L303-M307 WeakPolarHBondContact O-CB 3.33Å; L303-M307 VanDerWaalsContact O-CG 3.3Å; L303-M307 WeakPolarHBondContact O-CG 3.26Å; L303-M307 PolarHBondContact O-N 3.31Å; I304-M307 PolarHBondContact O-N 3.47Å; M307-T309 PolarHBondContact O-N 3.22Å; M307-Y310 PolarHBondContact O-N 3.03Å; M307-C311 VanDerWaalsContact O-CB 3.26Å; M307-C311 WeakPolarHBondContact O-CB 3.49Å; M307-C311 PolarHBondContact O-N 2.88Å; M307-C311 PolarHBondContact O-SG 3.27Å
308H81.7Confident77.3Confident107 Ų107121.3 Ų121.350%0.49560%0.6SS.*Hα-helixtrans-60.4-28.4175.4-87.5-63.2000114.1I304 T305 Y306 Y310 L312I304-H308 WeakPolarHBondContact O-CB 3.43Å; I304-H308 PolarHBondContact O-CD2 2.69Å; I304-H308 PolarHBondContact O-N 3.36Å; T305-H308 PolarHBondContact O-N 3.18Å; Y306-H308 VanDerWaalsContact C-N 3.32Å; Y306-H308 PolarHBondContact O-N 3.17Å; H308-Y310 VanDerWaalsContact C-N 3.28Å; H308-Y310 PolarHBondContact O-N 3.36Å; H308-L312 WeakPolarHBondContact O-CD1 3.44Å; H308-L312 VanDerWaalsContact O-CG 3.23Å; H308-L312 WeakPolarHBondContact O-CG 3.47Å; H308-L312 PolarHBondContact O-N 3.07Å
309T80.9Confident75Confident95 Ų95117.9 Ų117.958%0.58360%0.597SS**Hα-helixtrans-69-22.9173.868.90000114.1T305 Y306 M307T305-T309 WeakPolarHBondContact O-CG2 3.43Å; T305-T309 PolarHBondContact O-N 3.49Å; T305-T309 VanDerWaalsContact O-N 3.11Å; Y306-T309 PolarHBondContact O-N 3.32Å; Y306-T309 PolarHBondContact O-OG1 3.16Å; M307-T309 PolarHBondContact O-N 3.22Å
310Y74.4Confident72.3Confident160 Ų160125.2 Ų125.263%0.62761%0.613SS**Hα-helixtrans-106.9-30.3179.4-61.7-78.5000113.9Y306 M307 H308Y306-Y310 HydrophobicContact CD1-CD2 4.37Å; Y306-Y310 HydrophobicContact CD1-CE2 4.31Å; Y306-Y310 AromaticContact CD2-CE2 3.92Å; Y306-Y310 HydrophobicContact CD2-CE2 3.92Å; Y306-Y310 HydrophobicContact CE1-CD2 4.13Å; Y306-Y310 AromaticContact CE1-CE2 3.93Å; Y306-Y310 HydrophobicContact CE1-CE2 3.93Å; Y306-Y310 HydrophobicContact CE2-CD2 4.45Å; Y306-Y310 AromaticContact CE2-CE2 3.52Å; Y306-Y310 HydrophobicContact CE2-CE2 3.52Å; Y306-Y310 HydrophobicContact CG-CE2 4.3Å; Y306-Y310 AromaticContact CZ-CE2 3.5Å; Y306-Y310 VanDerWaalsContact O-CD2 3.25Å; Y306-Y310 WeakPolarHBondContact O-CD2 3.07Å; M307-Y310 PolarHBondContact O-N 3.03Å; H308-Y310 VanDerWaalsContact C-N 3.28Å; H308-Y310 PolarHBondContact O-N 3.36Å
311C75.7Confident69.8Low85 Ų85129.3 Ų129.357%0.57463%0.634SS**Hα-helixtrans-84.9-12.7-176-650000114.1M307 P313M307-C311 VanDerWaalsContact O-CB 3.26Å; M307-C311 WeakPolarHBondContact O-CB 3.49Å; M307-C311 PolarHBondContact O-N 2.88Å; M307-C311 PolarHBondContact O-SG 3.27Å; C311-P313 VanDerWaalsContact O-CD 3.28Å; C311-P313 WeakPolarHBondContact O-CD 3.25Å
312L66.6Low67.4Low117 Ų117134 Ų13461%0.61364%0.643SS**SBendtrans-77.4115.9174.4-74.8175.6000111.2H308H308-L312 WeakPolarHBondContact O-CD1 3.44Å; H308-L312 VanDerWaalsContact O-CG 3.23Å; H308-L312 WeakPolarHBondContact O-CG 3.47Å; H308-L312 PolarHBondContact O-N 3.07Å
313P51.5Low64.8Low90 Ų90134.8 Ų134.858%0.58464%0.644SS**  trans-64.3143.8175.4-18.832.6000110.7C311 R315C311-P313 VanDerWaalsContact O-CD 3.28Å; C311-P313 WeakPolarHBondContact O-CD 3.25Å; P313-R315 PolarHBondContact O-N 3.34Å
314M52.8Low62Low196 Ų196136.3 Ų136.397%0.96665%0.653SS**  trans-68.557.6-176.8-61.5-177.375.100114.5K316M314-K316 VanDerWaalsContact C-N 3.27Å; M314-K316 PolarHBondContact O-N 2.89Å
315R54.2Low59.6Low217 Ų217140.6 Ų140.682%0.81966%0.663SS**  trans-7574.1175.2-72.3-168.8178.1124.1-3.3111.4P313 Q317P313-R315 PolarHBondContact O-N 3.34Å; R315-Q317 PolarHBondContact O-N 2.91Å
316K53.3Low57Low187 Ų187142.6 Ų142.681%0.81367%0.671SS**  trans38.872.1162.3-65.8-176.1175.8-179.80114.3M314 Q318M314-K316 VanDerWaalsContact C-N 3.27Å; M314-K316 PolarHBondContact O-N 2.89Å; K316-Q318 PolarHBondContact O-N 3.37Å
317Q48.5Very low54.4Low194 Ų194144.2 Ų144.291%0.90769%0.687SS**THydrogen-bonded Turntrans-71.755174.4-160.9-174.421.800112.3R315R315-Q317 PolarHBondContact O-N 2.91Å
318Q46.9Very low51.8Low164 Ų164145.1 Ų145.177%0.76670%0.701SS**THydrogen-bonded Turntrans-129.22-172.9-148.1175.423.400112.8K316K316-Q318 PolarHBondContact O-N 3.37Å
319G45.4Very low49.7Very low47 Ų47150.7 Ų150.749%0.48572%0.718SS.*SBendtrans-111.1-16.8-176.900000116.3
320W36.6Very low47.2Very low229 Ų229155.5 Ų155.587%0.86773%0.734SS**SBendtrans-83.8-41.6-170-7257000112.8R322 K323W320-R322 PolarHBondContact O-N 2.71Å; W320-K323 PolarHBondContact O-N 3.05Å
321D43.7Very low45.1Very low129 Ų129159.5 Ų159.569%0.6975%0.748SS**Hα-helixtrans-58.2-22.9178.3-166.9-93.6000114.3R325D321-R325 IonicContact OD1-NH1 2.69Å
322R43Very low43Very low175 Ų175162.3 Ų162.366%0.6676%0.763SS**Hα-helixtrans-78.5-28-177.2-67.4-173179.4-119.7-1.7113.9W320W320-R322 PolarHBondContact O-N 2.71Å
323K38.9Very low41.3Very low163 Ų163164.4 Ų164.471%0.70977%0.767SS**Hα-helixtrans-80.4-29.4-164.2-163.4170.8-178.3-178.60114.2W320W320-K323 PolarHBondContact O-N 3.05Å
324D37.6Very low40.6Very low134 Ų134165.5 Ų165.572%0.71777%0.774SS**Hα-helixtrans-70-35.4179.8-142.9-102.1000111.9D326D324-D326 VanDerWaalsContact C-N 3.28Å; D324-D326 PolarHBondContact O-N 2.98Å
325R41.7Very low39.3Very low176 Ų176162 Ų16266%0.66476%0.759SS**Hα-helixtrans-73.2-16.3-178.5-159.8159.469.1-131.25.7114.2D321D321-R325 IonicContact OD1-NH1 2.69Å
326D37.1Very low38.5Very low124 Ų124157.7 Ų157.766%0.66376%0.757SS**Hα-helixtrans-89.3-18.7-179.2-76.1-25.2000114D324 S328D324-D326 VanDerWaalsContact C-N 3.28Å; D324-D326 PolarHBondContact O-N 2.98Å; D326-S328 VanDerWaalsContact C-N 3.29Å; D326-S328 PolarHBondContact O-N 3.45Å
327L38.5Very low37.5Very low157 Ų157154.6 Ų154.682%0.82276%0.756SS**THydrogen-bonded Turntrans-76.7-16.1173.7-69.2178.6000113.4
328S39.6Very low36.7Very low101 Ų101156.2 Ų156.271%0.70675%0.754SS**THydrogen-bonded Turntrans-90-6-177.2-690000115.1D326D326-S328 VanDerWaalsContact C-N 3.29Å; D326-S328 PolarHBondContact O-N 3.45Å
329R37.1Very low36Very low224 Ų224154.4 Ų154.485%0.84576%0.756SS**  trans-148.172.5-176.3-78.3-167.7173-107.10.8115.8
330Q28.3Very low35.2Very low196 Ų196156.7 Ų156.792%0.91677%0.771SS**  trans-146.3103148.7-75.6-1561100113.4
331R29.8Very low34.7Very low245 Ų245153 Ų15393%0.92577%0.768SS**  trans-170.775133-160.7174.1-170164.24.3114.4
332T31.6Very low34.3Very low144 Ų144153.3 Ų153.388%0.88378%0.775SS**  trans-154.3126146.428.60000109.3
333K32Very low33.7Very low160 Ų160151.4 Ų151.470%0.69678%0.777SS**  trans-108.5121.1174.4-177-161.7178.4-152.30108.7D335K333-D335 WeakPolarHBondContact CE-OD1 3.23Å; K333-D335 VanDerWaalsContact CE-OD2 3.31Å; K333-D335 WeakPolarHBondContact CE-OD2 3.28Å; K333-D335 IonicContact NZ-OD1 3.7Å; K333-D335 PolarHBondContact NZ-OD1 3.41Å; K333-D335 IonicContact NZ-OD2 3.8Å; K333-D335 PolarHBondContact NZ-OD2 2.88Å
334P35.1Very low33.3Very low113 Ų113149.3 Ų149.373%0.73478%0.783SS**  trans-93.6118.9162.932.7-26000109.8
335D26.9Very low33Very low122 Ų122151.7 Ų151.765%0.65279%0.79SS**  trans-80143.8165.5-83.1-63.8000110.6K333K333-D335 WeakPolarHBondContact CE-OD1 3.23Å; K333-D335 VanDerWaalsContact CE-OD2 3.31Å; K333-D335 WeakPolarHBondContact CE-OD2 3.28Å; K333-D335 IonicContact NZ-OD1 3.7Å; K333-D335 PolarHBondContact NZ-OD1 3.41Å; K333-D335 IonicContact NZ-OD2 3.8Å; K333-D335 PolarHBondContact NZ-OD2 2.88Å
336V35.9Very low32.5Very low128 Ų128149.1 Ų149.178%0.77680%0.799SS**  trans-104.9134.1179.7175.40000109.3
337P33.7Very low32.3Very low122 Ų122154.5 Ų154.579%0.79281%0.81SS**  trans-131132.2130.933.3-23.1000112.7
338R31.7Very low31.8Very low228 Ų228153.6 Ų153.686%0.8681%0.81SS**PPolyproline II helixtrans-82124.7169.4-174.2-172.7-156.5156.84108
339P32.6Very low31.4Very low125 Ų125154.6 Ų154.681%0.81281%0.812SS**PPolyproline II helixtrans-68.8147.4178.328.1-33.9000111.5
340A27.3Very low31Very low96 Ų96151.3 Ų151.379%0.79381%0.811SS**PPolyproline II helixtrans-93.5158.4-177.500000112.9
341N27Very low31.1Very low151 Ų151147.6 Ų147.681%0.80780%0.801SS**PPolyproline II helixtrans-77.3126.1175.7175.316.4000111.3
342T35.8Very low31.3Very low136 Ų136142 Ų14283%0.83480%0.799SS**  trans-137140.9158.453.30000110.5
343N29.3Very low31.2Very low134 Ų134139.3 Ų139.372%0.71779%0.792SS**  trans-101.8133.3-173.417818.6000111.6
344S30.5Very low31.6Very low119 Ų119137.8 Ų137.883%0.83280%0.798SS**  trans-162.1143.2159.9-84.50000112
345H31.8Very low31.2Very low184 Ų184135.1 Ų135.185%0.85279%0.792SS**  trans-80.2142.1180-60.4-78.8000112.7
346S30.6Very low31.4Very low123 Ų123135.7 Ų135.786%0.8680%0.799SS**  trans-149.3159.3135.1-164.40000110.5
347R32.4Very low31.1Very low236 Ų236135.4 Ų135.489%0.89180%0.803SS**  trans-100.7146.2176.2-60.1171177.5165.4-2.9109.2
348V29.5Very low30.9Very low138 Ų138133.2 Ų133.284%0.83680%0.803SS**  trans-169145.6134.8135.80000108.9
349V29.5Very low30.7Very low123 Ų123127.3 Ų127.375%0.74580%0.797SS**  trans-106140175.9171.40000108.7V351V349-V351 HydrophobicContact CG1-CG2 4.28Å
350L30.5Very low30.7Very low155 Ų155128 Ų12881%0.81279%0.793SS**  trans-176.2100.1155-96.8160.9000105.2
351V29.1Very low30.9Very low118 Ų118130.9 Ų130.972%0.71580%0.795SS**  58.910881.7-178.40000112.2V349V349-V351 HydrophobicContact CG1-CG2 4.28Å
352S34.1Very low31Very low127 Ų127127 Ų12789%0.88879%0.791SS**  trans-107109.1175.6-59.50000110.9
353A29.5Very low30.6Very low88 Ų88127.2 Ų127.273%0.72779%0.792SS**  trans-166.4168.7167.600000109.4
354P41.5Very low30.7Very low127 Ų127125.4 Ų125.483%0.82579%0.79SS**  -135.3-177.8-68.640.1-25.3000112.4
355G26.8Very low30.7Very low58 Ų58124.2 Ų124.260%0.59878%0.782SS**  trans90.5118.5136.200000120.5
356T30.7Very low30.7Very low133 Ų133120.3 Ų120.382%0.81678%0.775SS**  60.2123.4124.152.60000122.9
357S29Very low30.9Very low122 Ų122120 Ų12085%0.85377%0.773SS**  trans97.5146.1130.979.50000120.4
358G29.5Very low30.9Very low77 Ų77114.6 Ų114.679%0.79477%0.771SS**  trans90.6136.8173.700000115.3
359S28.5Very low31.4Very low104 Ų104112.6 Ų112.673%0.72777%0.769SS**  cis-161.1135.3-17.4-148.10000112.3
360L31.9Very low32Very low140 Ų140111.6 Ų111.673%0.73377%0.765SS**  trans38.9129.6140.8-60.9175.5000122.3
361N32.2Very low32.2Very low156 Ų156115.2 Ų115.283%0.83477%0.768SS**  trans74.2145.8147.6-51.7-15.7000118.9
362G27.5Very low32.4Very low69 Ų69121 Ų12171%0.71178%0.777SS**  cis147.373.1-7.700000115.6
363T29.3Very low32.7Very low140 Ų140122 Ų12286%0.85977%0.772SS**  trans-160.6150.8171.733.10000109.1
364S30.5Very low33.4Very low97 Ų97123.2 Ų123.268%0.67877%0.772SS**  cis-163.4168.6-15.755.30000110.7
365S31.1Very low33.2Very low94 Ų94125.4 Ų125.466%0.65777%0.769SS**  trans53.196.4147.458.60000120.6
366S31.7Very low33.9Very low102 Ų102127.5 Ų127.571%0.71378%0.78SS**  39.9109.3121.961.70000121.2
367S35.3Very low34.4Very low117 Ų117133.2 Ų133.282%0.81879%0.787SS**  trans37.8103.3131.363.10000120.8
368S32.4Very low35.2Very low122 Ų122138.4 Ų138.485%0.85379%0.788SS**  trans-157125.713659.20000111.1
369A39.1Very low36Very low96 Ų96146.6 Ų146.679%0.79380%0.795SS**  trans-95.3160.316700000109.7
370P43.1Very low36.8Very low101 Ų101150.3 Ų150.366%0.65680%0.801SS**  -155.2159.5102.440.1-23000117.3
371R33.4Very low37.6Very low232 Ų232152.3 Ų152.388%0.87581%0.809SS**  trans67144.3163.7-23.3-177.5-150.2-136.11.1116.6
372R32.9Very low38.5Very low239 Ų239153.9 Ų153.990%0.90281%0.808SS**  cis-155.8159.5-20.6-118.1-178.5-174.7-176.60.9108.1
373L41.7Very low39.9Very low149 Ų149154 Ų15478%0.7880%0.802SS**  trans-84172.8-175.8-63.1161.6000112.7
374P43.2Very low41.3Very low112 Ų112153.7 Ų153.773%0.72780%0.795SS**  -137.5126.791.420.40.8000116.7
375F37.4Very low43.2Very low174 Ų174151.9 Ų151.976%0.76378%0.782SS**  trans47.399141.1-46.8-60.6000121.8
376A41.8Very low44.8Very low102 Ų102153.5 Ų153.584%0.84378%0.783SS**  trans-76.8125.9143.400000109.9R378A376-R378 PolarHBondContact O-N 2.69Å; A376-R378 VanDerWaalsContact O-N 3.08Å
377R41.5Very low46.2Very low253 Ų253154.6 Ų154.696%0.95578%0.78SS**  trans-74.694.3169.1-90-172.1168.9-173.3-3.1110.3
378R46.1Very low47.8Very low230 Ų230156.6 Ų156.687%0.86877%0.77SS**  trans-61.6137.6148.5-82.4-175.4170.9-92.80.9107.6A376 E380A376-R378 PolarHBondContact O-N 2.69Å; A376-R378 VanDerWaalsContact O-N 3.08Å; R378-E380 PolarHBondContact O-N 3.14Å
379R45.3Very low49.7Very low249 Ų249155.3 Ų155.394%0.9475%0.751SS**  trans-82.7107.4172.7-153.9-179.7-159.1-179.15.7107.5M381R379-M381 PolarHBondContact O-N 2.93Å
380E45.2Very low51.2Low183 Ų183155.2 Ų155.286%0.85574%0.736SS**PPolyproline II helixtrans-66.3130.7171.7-69171.6172.400109R378 K382R378-E380 PolarHBondContact O-N 3.14Å; E380-K382 PolarHBondContact O-N 3.49Å
381M49.2Very low52.3Low182 Ų182156.1 Ų156.190%0.89774%0.735SS**PPolyproline II helixtrans-78.9116.116657.2-172.2176.600107.8R379 A383R379-M381 PolarHBondContact O-N 2.93Å; M381-A383 PolarHBondContact O-N 3.36Å; M381-A383 VanDerWaalsContact O-N 3.13Å
382K49.8Very low53.8Low189 Ų189152 Ų15282%0.82273%0.725SS**PPolyproline II helixtrans-60.5117.9167.7-79.2-170.4171.6-172.40107.5E380 N384E380-K382 PolarHBondContact O-N 3.49Å; K382-N384 PolarHBondContact O-N 3.4Å
383A57.2Low54.8Low72 Ų72146.7 Ų146.760%0.59571%0.711SS**SBendtrans-59.3-34.5-17800000111.9M381M381-A383 PolarHBondContact O-N 3.36Å; M381-A383 VanDerWaalsContact O-N 3.13Å
384N60.3Low55.4Low133 Ų133142.9 Ų142.971%0.71170%0.697SS**  trans-100.3106.8175.3-54.75.6000107.8K382K382-N384 PolarHBondContact O-N 3.4Å
385S70.4Confident55.7Low58 Ų58141.8 Ų141.841%0.40669%0.692SS.*  trans-106.3129.4166.41730000107L387 R388 E389S385-L387 PolarHBondContact O-N 3.1Å; S385-L387 VanDerWaalsContact O-N 3.15Å; S385-L387 PolarHBondContact OG-N 2.9Å; S385-R388 WeakPolarHBondContact O-CA 3.26Å; S385-R388 WeakPolarHBondContact O-CB 3.41Å; S385-R388 PolarHBondContact O-N 2.75Å; S385-E389 PolarHBondContact O-N 2.88Å
386L64.2Low56.2Low129 Ų129139.1 Ų139.168%0.67570%0.695SS**Hα-helixtrans-52.9-37.6176.5-171.475000111.2R388 E389 L390L386-R388 VanDerWaalsContact C-N 3.3Å; L386-R388 PolarHBondContact O-N 3.42Å; L386-E389 PolarHBondContact O-N 2.79Å; L386-L390 HydrophobicContact CD2-CD1 4.45Å; L386-L390 HydrophobicContact CG-CD1 4.08Å; L386-L390 HydrophobicContact CG-CG 4.44Å; L386-L390 WeakPolarHBondContact O-CB 3.37Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 3.34Å; L386-L390 PolarHBondContact O-N 2.92Å
387L60.9Low56.6Low124 Ų124142.6 Ų142.665%0.64969%0.691SS**Hα-helixtrans-66.1-31.4176.8-155108.7000112.8S385 L391S385-L387 PolarHBondContact O-N 3.1Å; S385-L387 VanDerWaalsContact O-N 3.15Å; S385-L387 PolarHBondContact OG-N 2.9Å; L387-L391 HydrophobicContact CD2-CD1 4.21Å; L387-L391 VanDerWaalsContact O-CB 3.31Å; L387-L391 WeakPolarHBondContact O-CB 3.49Å; L387-L391 WeakPolarHBondContact O-CD1 3.46Å; L387-L391 WeakPolarHBondContact O-CG 3.33Å; L387-L391 PolarHBondContact O-N 3.29Å
388R68.7Low57Low159 Ų159134.7 Ų134.760%0.667%0.668SS**Hα-helixtrans-75.9-37173.7-175.1-177-176.3178.15111.1S385 L386 L391 Q392S385-R388 WeakPolarHBondContact O-CA 3.26Å; S385-R388 WeakPolarHBondContact O-CB 3.41Å; S385-R388 PolarHBondContact O-N 2.75Å; L386-R388 VanDerWaalsContact C-N 3.3Å; L386-R388 PolarHBondContact O-N 3.42Å; R388-L391 PolarHBondContact O-N 3.38Å; R388-Q392 VanDerWaalsContact O-CB 3.27Å; R388-Q392 WeakPolarHBondContact O-CB 3.35Å; R388-Q392 PolarHBondContact O-N 3.33Å
389E72.5Confident57.4Low96 Ų96128.9 Ų128.945%0.44966%0.658SS.*Hα-helixtrans-66.6-47.7177.6-172.3166.8-176.500111.2S385 L386 L391 Q392 Q393S385-E389 PolarHBondContact O-N 2.88Å; L386-E389 PolarHBondContact O-N 2.79Å; E389-L391 PolarHBondContact O-N 3.04Å; E389-Q392 CarbonylContact O-C 3.55Å; E389-Q392 WeakPolarHBondContact O-CA 3.37Å; E389-Q392 WeakPolarHBondContact O-CB 3.38Å; E389-Q392 PolarHBondContact O-N 2.77Å; E389-Q393 WeakPolarHBondContact O-CB 3.32Å; E389-Q393 WeakPolarHBondContact O-CG 3.42Å; E389-Q393 PolarHBondContact O-N 2.87Å
390L70.8Confident57.8Low93 Ų93121.6 Ų121.649%0.48765%0.645SS.*Hα-helixtrans-59.5-42.6172.3-68.9168.7000111.9L386 Q392 Q393 S394L386-L390 HydrophobicContact CD2-CD1 4.45Å; L386-L390 HydrophobicContact CG-CD1 4.08Å; L386-L390 HydrophobicContact CG-CG 4.44Å; L386-L390 WeakPolarHBondContact O-CB 3.37Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 3.34Å; L386-L390 PolarHBondContact O-N 2.92Å; L390-Q392 PolarHBondContact O-N 3.05Å; L390-Q393 PolarHBondContact O-N 3.34Å; L390-S394 WeakPolarHBondContact O-CB 3.24Å; L390-S394 PolarHBondContact O-N 3.12Å; L390-S394 PolarHBondContact O-OG 3.44Å
391L65.6Low58.2Low121 Ų121119.6 Ų119.663%0.63463%0.633SS**Hα-helixtrans-69.2-18.2174.3-74.5170.4000114L387 R388 E389 S394L387-L391 HydrophobicContact CD2-CD1 4.21Å; L387-L391 VanDerWaalsContact O-CB 3.31Å; L387-L391 WeakPolarHBondContact O-CB 3.49Å; L387-L391 WeakPolarHBondContact O-CD1 3.46Å; L387-L391 WeakPolarHBondContact O-CG 3.33Å; L387-L391 PolarHBondContact O-N 3.29Å; R388-L391 PolarHBondContact O-N 3.38Å; E389-L391 PolarHBondContact O-N 3.04Å; L391-S394 WeakPolarHBondContact CA-OG 3.21Å; L391-S394 PolarHBondContact O-OG 3.08Å
392Q64.6Low58.1Low145 Ų145116.8 Ų116.868%0.67863%0.629SS**Hα-helixtrans-88.6-31.4174.6-164.879.769.400111.1R388 E389 L390R388-Q392 VanDerWaalsContact O-CB 3.27Å; R388-Q392 WeakPolarHBondContact O-CB 3.35Å; R388-Q392 PolarHBondContact O-N 3.33Å; E389-Q392 CarbonylContact O-C 3.55Å; E389-Q392 WeakPolarHBondContact O-CA 3.37Å; E389-Q392 WeakPolarHBondContact O-CB 3.38Å; E389-Q392 PolarHBondContact O-N 2.77Å; L390-Q392 PolarHBondContact O-N 3.05Å
393Q54.4Low57.8Low127 Ų127115.8 Ų115.859%0.59362%0.621SS**Hα-helixtrans-77-32.6173.8-73172-16.200112.3E389 L390 S395E389-Q393 WeakPolarHBondContact O-CB 3.32Å; E389-Q393 WeakPolarHBondContact O-CG 3.42Å; E389-Q393 PolarHBondContact O-N 2.87Å; L390-Q393 PolarHBondContact O-N 3.34Å; Q393-S395 PolarHBondContact O-N 2.91Å
394S53.2Low57.5Low70 Ų70124.1 Ų124.149%0.4964%0.637SS.*SBendtrans-73.269.2169.170.10000110.7L390 L391 S396L390-S394 WeakPolarHBondContact O-CB 3.24Å; L390-S394 PolarHBondContact O-N 3.12Å; L390-S394 PolarHBondContact O-OG 3.44Å; L391-S394 WeakPolarHBondContact CA-OG 3.21Å; L391-S394 PolarHBondContact O-OG 3.08Å; S394-S396 PolarHBondContact O-N 3.08Å
395S50.8Low56.8Low89 Ų89124.7 Ų124.762%0.62264%0.639SS**  trans-56.6138.417361.90000109.9Q393 F397Q393-S395 PolarHBondContact O-N 2.91Å; S395-F397 PolarHBondContact O-N 3.06Å
396S48.7Very low55.4Low117 Ų117130.4 Ų130.482%0.81866%0.659SS**  trans-60.4111-169.153.10000112S394 D398S394-S396 PolarHBondContact O-N 3.08Å; S396-D398 PolarHBondContact O-N 3.34Å
397F49.2Very low54.2Low175 Ų175128.6 Ų128.677%0.76866%0.657SS**  trans-64.2122.2169.5-83.5-93.1000110S395 V399S395-F397 PolarHBondContact O-N 3.06Å; F397-V399 PolarHBondContact O-N 3Å
398D50.9Low53.6Low87 Ų87128.2 Ų128.247%0.46566%0.662SS.*  trans-74.387.3179.9175.120.5000111.2S396 S400 K401S396-D398 PolarHBondContact O-N 3.34Å; D398-S400 VanDerWaalsContact CG-OG 3.23Å; D398-S400 PolarHBondContact O-N 3.37Å; D398-S400 VanDerWaalsContact OD1-CB 3.23Å; D398-S400 WeakPolarHBondContact OD1-CB 3.38Å; D398-S400 PolarHBondContact OD1-N 3.4Å; D398-S400 VanDerWaalsContact OD1-N 3.1Å; D398-S400 PolarHBondContact OD1-OG 2.73Å; D398-S400 PolarHBondContact OD2-OG 2.83Å; D398-K401 PolarHBondContact O-N 3.25Å; D398-K401 IonicContact OD2-NZ 2.6Å; D398-K401 PolarHBondContact OD2-NZ 2.92Å
399V53.2Low52.3Low109 Ų109126.2 Ų126.266%0.66167%0.67SS**THydrogen-bonded Turntrans-685.4176.9-64.90000114.4F397F397-V399 PolarHBondContact O-N 3Å
400S53.8Low50.5Low96 Ų96132 Ų13267%0.67169%0.689SS**THydrogen-bonded Turntrans-75.7-12.416975.50000113.4D398D398-S400 VanDerWaalsContact CG-OG 3.23Å; D398-S400 PolarHBondContact O-N 3.37Å; D398-S400 VanDerWaalsContact OD1-CB 3.23Å; D398-S400 WeakPolarHBondContact OD1-CB 3.38Å; D398-S400 PolarHBondContact OD1-N 3.4Å; D398-S400 VanDerWaalsContact OD1-N 3.1Å; D398-S400 PolarHBondContact OD1-OG 2.73Å; D398-S400 PolarHBondContact OD2-OG 2.83Å
401K52.9Low48.6Very low140 Ų140133.3 Ų133.361%0.60970%0.701SS**SBendtrans-103134.2176.1-58.4-169.4-178.975.70111.1D398 Y403D398-K401 PolarHBondContact O-N 3.25Å; D398-K401 IonicContact OD2-NZ 2.6Å; D398-K401 PolarHBondContact OD2-NZ 2.92Å; K401-Y403 PolarHBondContact O-N 3.3Å
402P47.6Very low47.1Very low123 Ų123135.4 Ų135.480%0.79971%0.707SS**  trans-68134.1178.428.2-34.1000111R404P402-R404 PolarHBondContact O-N 3.35Å
403Y44.7Very low45.6Very low169 Ų169133 Ų13366%0.66371%0.706SS**  trans-60.5106.2-177.7-68.2-90.9000112.4K401 L405K401-Y403 PolarHBondContact O-N 3.3Å; Y403-L405 HydrophobicContact CD1-CD1 4.01Å; Y403-L405 HydrophobicContact CD1-CG 4.22Å
404R50.8Low44.5Very low246 Ų246136.2 Ų136.293%0.92872%0.721SS**  trans-10374153.2-80.4-171.6170.9-174.1-3.1108.9P402 H406P402-R404 PolarHBondContact O-N 3.35Å; R404-H406 PolarHBondContact O-N 3.48Å
405L45.2Very low43.4Very low146 Ų146138.1 Ų138.176%0.76473%0.734SS**  trans-86.299165-68.2179.4000108.1Y403Y403-L405 HydrophobicContact CD1-CD1 4.01Å; Y403-L405 HydrophobicContact CD1-CG 4.22Å
406H40.4Very low43.3Very low177 Ų177139.5 Ų139.582%0.81974%0.741SS**  trans-87.7128.4165.6-158.8-65.7000107.5R404R404-H406 PolarHBondContact O-N 3.48Å
407S39.8Very low42.2Very low91 Ų91139.9 Ų139.964%0.63674%0.744SS**SBendtrans71.8132.7179.8-44.50000116.2
408P48.2Very low41.3Very low116 Ų116143.7 Ų143.775%0.75375%0.753SS**  trans-80.7150.1173.733.1-34.3000112.3Y410P408-Y410 PolarHBondContact O-N 2.88Å
409P42Very low40.3Very low117 Ų117143.2 Ų143.276%0.7677%0.768SS**SBendtrans-95.849.7-165.839.5-39.1000115
410Y33.1Very low39.2Very low219 Ų219144.9 Ų144.986%0.85978%0.779SS**  trans-142.885.4175.2-74.8-70000113.1P408P408-Y410 PolarHBondContact O-N 2.88Å
411V31.7Very low38.1Very low119 Ų119145 Ų14572%0.72179%0.786SS**  trans-148.6144.8161.7-157.70000109
412H34.2Very low37.1Very low166 Ų166144.3 Ų144.377%0.76980%0.799SS**  trans8782172.8-50.8102.4000119.1
413S32.3Very low36.2Very low94 Ų94142.9 Ų142.966%0.65780%0.797SS**  25.1132.7123.38.60000123.5
414H31.3Very low36.3Very low195 Ų195140.8 Ų140.890%0.90380%0.804SS**  trans64.6160.9143.1-55.2-58.1000122
415S30.6Very low35.3Very low110 Ų110135 Ų13577%0.76980%0.802SS**  trans-120.6-170.9-169.269.80000110.2
416P48.1Very low34.5Very low117 Ų117132.4 Ų132.476%0.7680%0.801SS**  cis-134.9179.1-6.341.6-25.7000114.6
417S27.1Very low35Very low126 Ų126130 Ų13088%0.88180%0.801SS**  trans-171.3161.6143.545.60000114.1
418R30.2Very low34.4Very low254 Ų254130.6 Ų130.696%0.95881%0.812SS**  trans-78.6149.8177.7-68.3168.6161.8-179.4-4.7112.1
419G28.9Very low33.5Very low77 Ų77132.7 Ų132.779%0.79482%0.816SS**  trans-174.3101165.500000116
420T31.2Very low33Very low144 Ų144137.2 Ų137.288%0.88382%0.824SS**  trans-43.4144.5172.8450000116.7
421A30.2Very low33Very low99 Ų99132.3 Ų132.382%0.81882%0.822SS**  trans-66.1145.9175.400000114.4
422S30.7Very low34.1Very low125 Ų125132.5 Ų132.587%0.87483%0.826SS**  trans-160.8157.6156.3-82.80000110.5
423A29.4Very low34.7Very low93 Ų93130.4 Ų130.477%0.76983%0.827SS**  trans-114.7-153.8-178.400000110.8
424P47.4Very low34.7Very low125 Ų125130 Ų13081%0.81283%0.829SS**  -124.3158-98.538.1-23.4000114.9
425S28.4Very low35Very low125 Ų125128.7 Ų128.787%0.87482%0.824SS**  trans-158.6151.4163.957.90000112.6
426A30Very low35Very low92 Ų92128.3 Ų128.376%0.7682%0.821SS**  trans-103.6-147176.800000111.7
427P49.6Very low34.4Very low126 Ų126131 Ų13182%0.81882%0.821SS**  -118.1168.6-10437.9-23.7000114.7
428A28.3Very low34.7Very low103 Ų103130.3 Ų130.385%0.85182%0.816SS**  trans-146.5140.2170.500000113.1
429N28.6Very low34.6Very low160 Ų160123.9 Ų123.986%0.85681%0.81SS**  trans-93.2159.8-179.6-56.9-62.6000112.8
430K31.1Very low34.8Very low213 Ų213127.4 Ų127.493%0.92681%0.809SS**  trans-165.6162.7139-104.2150.4-171.1177.90111.6
431S33.4Very low34.7Very low115 Ų115128.7 Ų128.780%0.80481%0.805SS**  trans-124.7155.2-158.246.70000115.3
432P54.3Low35.5Very low123 Ų123129.6 Ų129.680%0.79980%0.802SS**  trans-106.8170.8-179.640.5-35.7000115.8
433P48.6Very low35.3Very low122 Ų122132.7 Ų132.779%0.79280%0.8SS**  trans-124176.8179.843.2-31.1000116.5
434A31.2Very low35.8Very low86 Ų86133.1 Ų133.171%0.71180%0.795SS**  trans64.4120.8161.600000118.9
435Q38.1Very low34.9Very low168 Ų168134.5 Ų134.579%0.78579%0.79SS**  cis80137.145.8-61.3177.711.100113.1F437Q435-F437 HydrophobicContact CB-CE2 4.44Å; Q435-F437 HydrophobicContact CG-CE2 4.23Å
436S29.5Very low34.9Very low102 Ų102136 Ų13671%0.71378%0.781SS**  cis-158.4143.647.348.20000113.3
437F35.9Very low34.6Very low173 Ų173141.8 Ų141.876%0.75978%0.784SS**  63.2145.790.9-58.5-61.4000117.6Q435Q435-F437 HydrophobicContact CB-CE2 4.44Å; Q435-F437 HydrophobicContact CG-CE2 4.23Å
438S34.8Very low33.5Very low112 Ų112143.7 Ų143.778%0.78378%0.779SS**  cis-177.2152.4-848.30000113.3
439S27.5Very low33.3Very low118 Ų118144.1 Ų144.183%0.82577%0.767SS**  trans-172.7179163-160.30000112.2
440I33.5Very low33.4Very low151 Ų151141.7 Ų141.777%0.77476%0.763SS**  -146.7-146.4-83.3-153.8166.8000112.5
441H27.9Very low33.2Very low171 Ų171136.5 Ų136.579%0.79275%0.754SS**  trans-157.9-179.8-160.8-100.3-92.9000111.5
442P47.1Very low32.9Very low119 Ų119136.4 Ų136.477%0.77375%0.753SS**  cis-136.5-170.8-9.732.6-8.5000117
443K26.4Very low31.7Very low189 Ų189137.5 Ų137.582%0.82275%0.751SS**  trans-76.9-175.4171.2-90.6179.9177.2176.90114.2
444P40.1Very low30.7Very low102 Ų102137.6 Ų137.666%0.66274%0.741SS**  cis-133.8-148.612.935.9-9.7000113.4
445E28.7Very low30.6Very low154 Ų154142.1 Ų142.172%0.7274%0.74SS**  cis-167.3-178.13-144.8150.3-9700115
446F27.8Very low30.3Very low156 Ų156143.7 Ų143.768%0.68474%0.738SS**  trans79.5162.6157-95.1-87.8000123.8
447W24.9Very low30.3Very low215 Ų215145.1 Ų145.181%0.81474%0.738SS**  trans-104.3155.1-149-63.3-50.8000118.6
448K26.6Very low29.9Very low165 Ų165141.9 Ų141.972%0.71774%0.737SS**  103.5149.2122.7-107-176.9151.1-116.40124.4
449D24.6Very low29.8Very low113 Ų113142 Ų14260%0.60474%0.738SS**  trans73108.4151.1-62.5-19.5000122.5
450S30Very low29.9Very low108 Ų108140.7 Ų140.776%0.75573%0.728SS**  trans87.5144.9130.2-610000124.4
451S27Very low29.8Very low105 Ų105141.1 Ų141.173%0.73473%0.727SS**  trans61.4104.6148.8540000121.8
452S26Very low29.9Very low112 Ų112139.3 Ų139.378%0.78372%0.722SS**  43.9141.812367.10000123.4
453L29.1Very low29.2Very low147 Ų147140.3 Ų140.377%0.7772%0.717SS**  trans98.2117.5141-15274.8000118.5
454E28.9Very low29.6Very low123 Ų123137.5 Ų137.558%0.57571%0.707SS**  trans66140.8149.3-80.9176.860.700124.6
455R29.2Very low29Very low182 Ų182138.9 Ų138.969%0.68771%0.709SS**  trans78.2115.5142.8-86.6-177.4-89.3171.9-6.5121.5
456R31.5Very low29.3Very low201 Ų201138.3 Ų138.376%0.75871%0.71SS**  trans95.5118.1132.2-72-176.6-66.6-177.1-0.9121.3
457N28.4Very low29.4Very low131 Ų131138.7 Ų138.770%0.70171%0.714SS**  84.8101.9124.1-63.923.8000122.1
458S29.1Very low29.6Very low106 Ų106136.4 Ų136.474%0.74171%0.712SS**  68169.1107.3-49.10000122.1
459S31.1Very low30.8Very low114 Ų114133.5 Ų133.580%0.79771%0.71SS**  trans74.1145.3-174.875.40000114.4
460S31.1Very low31Very low90 Ų90131.3 Ų131.363%0.62971%0.708SS**  cis-170176-1.5-110.50000108.9
461E30.7Very low31Very low160 Ų160130.6 Ų130.675%0.74869%0.692SS**  cis-165.4173.43.4-126.9149.464.100111.3
462L29Very low31.2Very low133 Ų133129.4 Ų129.470%0.69668%0.681SS**  trans65128167.7-83.381.2000118.8
463Q32.9Very low31.4Very low141 Ų141127.9 Ų127.966%0.65967%0.67SS**  87.2144.351-73.5-176-20.100113.9
464Q35.6Very low31.6Very low129 Ų129124.1 Ų124.160%0.60367%0.667SS**  cis-161.9155.38.6-129165.82.200113.1
465N27.9Very low31.9Very low132 Ų132123.5 Ų123.571%0.70668%0.676SS**  trans44.5145148.5-66.83.8000123.3
466L34.5Very low32.2Very low142 Ų142124.2 Ų124.274%0.74368%0.684SS**  cis-142.9-117-18-156.962000111.3
467E28.6Very low32.2Very low164 Ų164119.9 Ų119.977%0.76669%0.685SS**  cis-164.7171.6-1.3-144.4133.273.300109.7
468E29.5Very low32.5Very low167 Ų167119.5 Ų119.578%0.7869%0.687SS**  trans-154.2-178.1-166.3-110.9-163172.500115.4
469P53.3Low33Very low103 Ų103125.6 Ų125.667%0.66969%0.694SS**  cis-125-134.3-6.224.14000112.6
470A27.8Very low33.3Very low68 Ų68130.6 Ų130.656%0.56270%0.695SS**  cis-168.5151.35.600000116.6
471E30.6Very low33.7Very low92 Ų92131.4 Ų131.443%0.4370%0.701SS.*  trans73.3120.3140.5-76.5-147.9-120.100129.2F679 G680 D681E471-F679 VanDerWaalsContact OE2-CD1 3.26Å; E471-F679 WeakPolarHBondContact OE2-CD1 3.2Å; E471-G680 PolarHBondContact OE2-N 3.1Å; E471-D681 VanDerWaalsContact C-CB 3.46Å; E471-D681 VanDerWaalsContact C-OD2 3.27Å
472T29.7Very low34.1Very low81 Ų81135.1 Ų135.150%0.49771%0.708SS.*  trans11568.6152.4680000126.2D681T472-D681 VanDerWaalsContact N-CG 3.26Å; T472-D681 VanDerWaalsContact N-N 3.11Å; T472-D681 PolarHBondContact N-OD2 3.46Å; T472-D681 VanDerWaalsContact N-OD2 3.13Å
473S32Very low34.6Very low80 Ų80140.4 Ų140.456%0.55972%0.719SS**  84.2130.3121.4-124.90000126F679 G680 D681S473-F679 WeakPolarHBondContact CB-O 3.41Å; S473-F679 PolarHBondContact OG-O 3.34Å; S473-G680 WeakPolarHBondContact CA-O 3.45Å; S473-G680 WeakPolarHBondContact CB-O 3.41Å; S473-G680 PolarHBondContact N-O 3.45Å; S473-G680 PolarHBondContact OG-O 2.78Å; S473-D681 PolarHBondContact N-OD1 2.96Å
474G32Very low34.9Very low67 Ų67141.9 Ų141.969%0.69173%0.73SS**  110.193.1115.400000124.8
475S36.4Very low34.9Very low110 Ų110140.3 Ų140.377%0.76974%0.739SS**  trans52.5117.8133.6-69.10000126.8
476F33.8Very low35.4Very low198 Ų198139.3 Ų139.387%0.86874%0.742SS**  63.9150.9126-81.2-80.8000127.3
477S31.6Very low36.1Very low109 Ų109141.9 Ų141.976%0.76275%0.748SS**  trans97.8137.6161.582.30000117.4
478V36.3Very low36.6Very low123 Ų123140 Ų14075%0.74575%0.75SS**  cis92.896.617.6-176.20000116.4
479R38.3Very low36.9Very low234 Ų234137.5 Ų137.588%0.88375%0.751SS**  trans170.9168.2150-95.4149.7-174.5-160.52.9110.6
480R38.8Very low36.5Very low219 Ų219142.7 Ų142.783%0.82676%0.757SS**  cis-174.1127.1-47.5-114.6-175.1179.2-174.70.2108.8
481S37.4Very low37Very low108 Ų108148.8 Ų148.876%0.75577%0.771SS**  trans55142149.7730000124
482R39.4Very low37.3Very low237 Ų237148.2 Ų148.289%0.89478%0.782SS**  trans-172.6107.4136.4-101165.9-170.1-146.82.9107.5
483R40.6Very low37.6Very low244 Ų244154 Ų15492%0.92180%0.801SS**  98.8139.374.4-93.1-166.2177-160.3-0.2111.8
484L38.7Very low37.7Very low173 Ų173161.7 Ų161.791%0.90682%0.817SS**  trans-84.3155.4-166.3-63.6164.7000113.2
485A36.6Very low37.6Very low96 Ų96165.4 Ų165.479%0.79382%0.821SS**  trans-132.8116.7157.700000108.9
486S38Very low37.4Very low110 Ų110171.1 Ų171.177%0.76983%0.825SS**  trans-123.3124.5175.545.80000109.8
487F49.3Very low37.4Very low196 Ų196167.3 Ų167.386%0.8682%0.821SS**PPolyproline II helixtrans-81.3146.8178.4-78.8-90.2000111.4S489F487-S489 PolarHBondContact O-N 3.37Å
488P39Very low37.2Very low124 Ų124169.1 Ų169.181%0.80583%0.828SS**PPolyproline II helixtrans-69.8120176.3-15.730.2000111.3
489S35.8Very low36.8Very low115 Ų115174.9 Ų174.980%0.80484%0.836SS**PPolyproline II helixtrans-88.1126.6168.6-174.40000110.5F487F487-S489 PolarHBondContact O-N 3.37Å
490R44.6Very low36.4Very low212 Ų212168.4 Ų168.480%0.883%0.832SS**  trans-130.4159.8167.8-80.5-167.5173.7-153.50.8109.2
491F37.2Very low35.8Very low196 Ų196164.8 Ų164.886%0.8682%0.822SS**  trans72.8135.2-179.4-50.4-75.5000114.9
492A36.7Very low35.3Very low80 Ų80167.6 Ų167.666%0.66182%0.823SS**  cis-153.4139.1-9.500000112.2
493K36.8Very low34.8Very low203 Ų203164 Ų16488%0.88382%0.817SS**  trans-76.2127.7153.9-77.5-178.6176.5176.30108.3
494R33.7Very low34.1Very low241 Ų241159.3 Ų159.391%0.90981%0.805SS**  trans-123.1133.7149.1-87-170.8-78.5-146.6-2.4108.5
495L30.5Very low33.6Very low146 Ų146153.6 Ų153.676%0.76479%0.788SS**  trans-103.8176.5-177.3-73.6167.4000110.2
496R32.8Very low33.3Very low229 Ų229157 Ų15786%0.86479%0.785SS**  trans88.8154.1157.4-56.7-164.4-178.3-169.11115.9
497P33.5Very low32.8Very low119 Ų119160.2 Ų160.277%0.77379%0.788SS**  cis-119.8138.37.736.5-22.2000116.1
498T26.9Very low32Very low147 Ų147158.7 Ų158.790%0.90278%0.781SS**  trans-76.8140.7146.227.90000109.4
499R28.2Very low31.6Very low244 Ų244158.7 Ų158.792%0.92178%0.775SS**  trans-144.5131.5163.3-168.2174.9-171.6162.93.9108.3
500A29.5Very low31.4Very low97 Ų97162.3 Ų162.380%0.80278%0.778SS**  trans-95.3163.4-179.500000112.3
501K26.4Very low30.6Very low144 Ų144159.5 Ų159.563%0.62678%0.779SS**  trans-154118.8164.6-162.3164.2-171.9-78.20105.2E503K501-E503 IonicContact NZ-OE2 2.83Å; K501-E503 PolarHBondContact NZ-OE2 3.37Å
502E27.1Very low31.2Very low166 Ų166154.9 Ų154.978%0.77677%0.769SS**  56.9149.580-48.7171130.300112.8
503E28.8Very low30.9Very low162 Ų162156.4 Ų156.476%0.75777%0.771SS**  cis-141.8169.715.8-58.215849.500107.2K501K501-E503 IonicContact NZ-OE2 2.83Å; K501-E503 PolarHBondContact NZ-OE2 3.37Å
504E26.3Very low30.6Very low145 Ų145151.9 Ų151.968%0.67876%0.756SS**  cis-159.1156.5-0.1-173.4-96128.300105.3K506E504-K506 IonicContact OE1-NZ 2.74Å; E504-K506 PolarHBondContact OE1-NZ 2.92Å; E504-K506 IonicContact OE2-NZ 2.72Å; E504-K506 PolarHBondContact OE2-NZ 2.88Å
505G27.9Very low30.6Very low53 Ų53149.9 Ų149.955%0.54675%0.749SS.*  cis161.1-166.9-0.800000109.9
506K29.3Very low30.6Very low168 Ų168150.2 Ų150.273%0.7375%0.75SS**  trans74.3143-176.6-48.6169.7-166.465.40114.1E504E504-K506 IonicContact OE1-NZ 2.74Å; E504-K506 PolarHBondContact OE1-NZ 2.92Å; E504-K506 IonicContact OE2-NZ 2.72Å; E504-K506 PolarHBondContact OE2-NZ 2.88Å
507E28.6Very low30.3Very low178 Ų178146.2 Ų146.283%0.83275%0.745SS**  cis-138.6163.929-89.6-162.5108.700116.9
508K33Very low30.6Very low163 Ų163146.1 Ų146.171%0.70975%0.745SS**  trans17.1124.3150.7-87.3177.1147.7-75.30124.4
509D30.3Very low30.6Very low125 Ų125144.1 Ų144.167%0.66873%0.732SS**  83.9147.9122.5-85.5-40.6000125.1
510E31.1Very low30.7Very low190 Ų190141.3 Ų141.389%0.88873%0.73SS**  trans75.5146.1164.8-48.7-127.8129.100120.1
511N28.4Very low30.6Very low153 Ų153141.3 Ų141.382%0.81873%0.729SS**  trans-150.6162-167-166.844.3000104.9
512P49.8Very low30.6Very low100 Ų100138.2 Ų138.265%0.64974%0.738SS**  cis-128.7-168.220.129.4-2.1000112.5
513T31Very low30.6Very low112 Ų112134.4 Ų134.469%0.68774%0.744SS**  cis-170.6151.444.6-40.30000113.9
514D29.8Very low30.5Very low108 Ų108129.7 Ų129.758%0.57874%0.739SS**  trans63.7109.3155.4-90.6-1.9000122.9
515R34.2Very low30.6Very low199 Ų199129.5 Ų129.575%0.75175%0.747SS**  67.8139.3128.9-57.3172.5-155.2-89.7-18.1119.9
516L29Very low30.5Very low152 Ų152132.3 Ų132.380%0.79675%0.754SS**  cis-157.7144.1-7.8-114.2168.4000109.7
517L26.6Very low30.4Very low146 Ų146130 Ų13076%0.76475%0.754SS**  trans-93.3-179.2168.9-67.9172.8000109.7
518P41.1Very low30.2Very low117 Ų117130.8 Ų130.876%0.7676%0.758SS**  cis-122.7179.60.724.11.2000112.7
519T25.9Very low30.1Very low104 Ų104127.7 Ų127.764%0.63876%0.763SS**  cis90.612321.8-42.10000116.5
520Q30.7Very low30.2Very low186 Ų186129.7 Ų129.787%0.86977%0.768SS**  trans79.3156.4152.8-93.7-178.81100124.1
521A27.5Very low30.6Very low96 Ų96125.8 Ų125.879%0.79376%0.759SS**  trans63.7118.3156.800000118.4
522G26.7Very low30.6Very low79 Ų79125.1 Ų125.181%0.81475%0.751SS**  cis100.3109.8-4.100000114
523G26.1Very low29.6Very low87 Ų87127.6 Ų127.690%0.89775%0.752SS**  trans87.7129.4-171.400000111.9
524G27.7Very low29.6Very low63 Ų63129.2 Ų129.265%0.64976%0.755SS**  cis134.8133.7-5.900000111.7
525T27.2Very low29.5Very low140 Ų140129.4 Ų129.486%0.85976%0.761SS**  trans65.3146.5179.769.90000115.1
526T27.3Very low29.2Very low112 Ų112124.8 Ų124.869%0.68776%0.759SS**  cis-162.1159.1-14.516.30000109.4
527T27.1Very low29.2Very low120 Ų120124 Ų12474%0.73676%0.756SS**  trans58.4130.8150.149.50000122
528E24.5Very low29.3Very low195 Ų195124.1 Ų124.191%0.91176%0.757SS**  trans64.1141.9157.1-58.9-170.9123.700118
529A30.9Very low28.7Very low98 Ų98121.3 Ų121.381%0.8175%0.749SS**  cis-138.9167.619.300000114.2
530Q31.1Very low28.8Very low166 Ų166121.7 Ų121.778%0.77676%0.756SS**  trans-97.2154.9174-93-74.8-22.600110
531P39.5Very low29Very low108 Ų108120.2 Ų120.270%0.70175%0.754SS**  -154170.279.543-24000118.3
532E28.8Very low29.5Very low140 Ų140121.7 Ų121.765%0.65476%0.756SS**  trans71.1135.8162.5-47-154.514300117.3
533K29.4Very low29.6Very low152 Ų152122.9 Ų122.966%0.66175%0.752SS**  cis-160.9153.2-6.3-101.9157.5-170.5151.50104.8
534L30.6Very low29.7Very low145 Ų145126.6 Ų126.676%0.75975%0.746SS**  cis-125162.212.6-65.1171.6000107.9
535T26.7Very low29.7Very low113 Ų113130.4 Ų130.469%0.69375%0.75SS**  cis71.312634.373.80000115.1
536S29.4Very low29.8Very low102 Ų102129 Ų12971%0.71374%0.742SS**  cis-177.8143.71.437.90000107.6
537N28.2Very low29.8Very low135 Ų135131.6 Ų131.672%0.72274%0.744SS**  cis-141.1169.7-0.5-103.637.1000107.3
538D28.6Very low29.7Very low149 Ų149130.5 Ų130.580%0.79774%0.741SS**  cis80.6144.533.6-175.447.1000115.7
539G28.8Very low29.7Very low57 Ų57125.8 Ų125.859%0.58873%0.728SS**  trans98.899.1-170.600000113
540S28.6Very low29.6Very low112 Ų112126 Ų12678%0.78372%0.723SS**  cis102.1133.735.976.10000112.9
541N34.3Very low29.4Very low155 Ų155126.3 Ų126.383%0.82972%0.724SS**  trans-59.9153.7174.9-48.4-50.9000111.4
542P38.5Very low28.9Very low128 Ų128127.1 Ų127.183%0.83172%0.718SS**  -144.1-155.590.241.4-25.3000114.1
543S29.1Very low29.2Very low104 Ų104128.2 Ų128.273%0.72772%0.721SS**  trans-81.6179.3-165.953.70000117
544E26.3Very low29.5Very low165 Ų165133 Ų13377%0.77173%0.734SS**  trans90.6115.9155.5-90.4-167.1122.200120.9
545L29.1Very low29.7Very low143 Ų143130.1 Ų130.175%0.74973%0.732SS**  trans71156.2133.4-117.775000121.7
546T28Very low30.2Very low111 Ų111130.3 Ų130.368%0.68174%0.737SS**  trans77.390.9161.7550000121.5
547K28.6Very low30.4Very low166 Ų166133.2 Ų133.272%0.72274%0.743SS**  51.7127.8116.1-64.3173.6178.6176.10120.4
548S24.7Very low30.6Very low97 Ų97132.3 Ų132.368%0.67875%0.746SS**  trans68.8155.2139.974.10000119.1Y28Y28-S548 PolarHBondContact OH-N 3.5Å
549C24.4Very low31.3Very low95 Ų95132.3 Ų132.364%0.64275%0.746SS**  cis-167.3134.9-23.8159.10000110.4
550C28.7Very low31.7Very low104 Ų104135.5 Ų135.570%0.70376%0.756SS**  trans49.6115.7137.7-19.20000121.8
551H27.1Very low31.9Very low172 Ų172137.2 Ų137.280%0.79676%0.756SS**  trans-163.8144.4148.6-102.5-93.4000107.5
552E29Very low32Very low124 Ų124137.2 Ų137.258%0.57976%0.755SS**  cis-162150.4-12.8-142.7-175.1159.400112.6
553K35.8Very low32.4Very low163 Ų163135.8 Ų135.871%0.70975%0.746SS**  trans12125.6154.8-59.5158.7-167.2159.80120.7
554R35.9Very low32.4Very low252 Ų252140.3 Ų140.395%0.95175%0.753SS**  -178.3175.699.6-104.9176.1179.4132.20.2113.1
555A33Very low32.8Very low86 Ų86137.6 Ų137.671%0.71175%0.752SS**  trans-146.8161-167.700000114.9
556C38.4Very low32.9Very low117 Ų117137.6 Ų137.679%0.79176%0.758SS**  trans73.6164.8156.6-60.70000120.6
557L32.3Very low32.9Very low162 Ų162135.3 Ų135.385%0.84876%0.757SS**  trans79142.7169.8-46-178.2000116.5
558C32.3Very low33.1Very low116 Ų116136.1 Ų136.178%0.78476%0.763SS**  cis-164.7168.8-25.7-115.60000110.3
559L44.9Very low34.5Very low150 Ų150135.9 Ų135.979%0.78576%0.759SS**  trans-74.9160175.4-60.5172.8000113.6
560P36.4Very low35.1Very low124 Ų124139.3 Ų139.381%0.80577%0.766SS**  trans-121.6162.314136.4-27.6000112.8
561L33.3Very low35.3Very low148 Ų148143.6 Ų143.678%0.77577%0.773SS**  trans-129.1136-172-68.8170.4000113.4
562N35.6Very low35.6Very low154 Ų154138.5 Ų138.582%0.82477%0.767SS**  trans60-176.1150.6-99.4-33.5000117.1
563P46.6Very low35.7Very low99 Ų99138.6 Ų138.664%0.64378%0.776SS**  cis-128.2167.6-10.332.8-14.6000115.4
564K29.6Very low36Very low198 Ų198142 Ų14286%0.86179%0.785SS**  167.7148.4116.2-94.2169.9-179.7178.30115.8
565S35.9Very low36.8Very low109 Ų109135.1 Ų135.176%0.76277%0.773SS**  trans-114.4161.9159.6560000110.2
566T30.7Very low36.8Very low143 Ų143140.6 Ų140.688%0.87778%0.776SS**  trans-179.1139.9160.2-69.90000106.1
567G28.7Very low37Very low63 Ų63141 Ų14165%0.64977%0.767SS**  cis-162.8155.50.600000109.3
568E32.2Very low37.2Very low182 Ų182140.6 Ų140.685%0.8576%0.76SS**  106.9165.477.5-126.3-155.4131.800110.7
569P54.8Low37.4Very low92 Ų92140 Ų14060%0.59775%0.753SS**  -128.7-179-96.243.2-30000115.3
570Q35.1Very low37Very low167 Ų167140.6 Ų140.678%0.7876%0.756SS**  -176.2136.7126.7-100.3173.165.800113.9
571F33.5Very low36.7Very low194 Ų194139.3 Ų139.385%0.85175%0.75SS**  trans29.7145.8160.3-52.3-70.9000121.9
572G34.3Very low36.6Very low65 Ų65137.9 Ų137.967%0.6775%0.748SS**  cis150.9142.84.400000108.1
573T30Very low36.6Very low126 Ų126135.3 Ų135.377%0.77373%0.734SS**  cis-166.9139.242.147.70000115.2
574R43.4Very low36.1Very low235 Ų235133.3 Ų133.389%0.88772%0.717SS**  trans57.1163.4135.5-63.9-173.6-179.8-119.1-0.2122.5
575P52.3Low36.4Very low108 Ų108128.7 Ų128.770%0.70171%0.709SS**  cis-125.1151.6-36.734.5-17.9000112.8
576Y33.5Very low36.4Very low200 Ų200126.5 Ų126.578%0.78470%0.704SS**  58.9130.987.4-130.5-130.5000114.3
577E41.4Very low36.7Very low126 Ų126126.3 Ų126.359%0.58970%0.702SS**  cis-158.3157.124-160.6175.8173.800115.1
578Q36.6Very low37.1Very low154 Ų154128.7 Ų128.772%0.7272%0.716SS**  trans66.2145.7149.7-100-174.5-2.400126.9
579T36.3Very low37.1Very low104 Ų104123.5 Ų123.564%0.63871%0.711SS**  trans70.6119.4150.944.70000119.8
580L35.9Very low36.3Very low162 Ų162126.5 Ų126.585%0.84872%0.721SS**  62133.692.7-60.1-179.5000112.2
581S30.6Very low36.9Very low96 Ų96124.4 Ų124.467%0.67172%0.72SS**  cis-167.3151.825.664.30000111.1
582V32.5Very low37.7Very low119 Ų119120.7 Ų120.772%0.72172%0.715SS**  69.9132.6109.9175.10000118.4
583D34Very low38Very low99 Ų99123.5 Ų123.553%0.52972%0.722SS.*  trans93.8139.4147.8-88.6-21.1000125.9Y183Y183-D583 WeakPolarHBondContact CE1-OD2 3.36Å; Y183-D583 VanDerWaalsContact CZ-OD2 3.27Å; Y183-D583 WeakPolarHBondContact OH-CB 3.3Å; Y183-D583 PolarHBondContact OH-OD2 3.34Å
584L37.6Very low38.3Very low57 Ų57123.5 Ų123.530%0.29872%0.722SS.*  trans67.1115.3150-68.8-174.3000123.4R182 Y183R182-L584 HydrophobicContact CB-CD1 3.62Å; R182-L584 HydrophobicContact CG-CD1 3.82Å; Y183-L584 HydrophobicContact CD1-CD1 3.71Å; Y183-L584 HydrophobicContact CD1-CD2 4.06Å; Y183-L584 HydrophobicContact CD1-CG 4.14Å; Y183-L584 HydrophobicContact CD2-CD1 4.11Å; Y183-L584 HydrophobicContact CE1-CD1 3.51Å; Y183-L584 HydrophobicContact CE1-CD2 4.03Å; Y183-L584 HydrophobicContact CE1-CG 3.71Å; Y183-L584 HydrophobicContact CE2-CD1 3.91Å; Y183-L584 HydrophobicContact CG-CD1 3.97Å
585C35.6Very low38.2Very low102 Ų102118.1 Ų118.169%0.68972%0.715SS**  32.1114.5110.6-55.40000120.6
586G36.4Very low37.6Very low63 Ų63119 Ų11965%0.64972%0.721SS**  trans-163.9106.6142.600000107.8
587T36Very low37.9Very low138 Ų138115.3 Ų115.385%0.84772%0.722SS**  60.2110.277.364.40000114.4
588A36.5Very low37.7Very low114 Ų114117.9 Ų117.994%0.94273%0.733SS**  trans41.8114.115500000119
589G33.4Very low37.8Very low72 Ų72119.4 Ų119.474%0.74274%0.737SS**  trans-165.582.1176.700000114.9
590L37.6Very low37.9Very low156 Ų156118.4 Ų118.482%0.81774%0.735SS**  trans34112.6137.4-58.4174000120.5
591T46.4Very low38Very low123 Ų123117.2 Ų117.276%0.75573%0.734SS**  trans64.9144.3137.2530000121.2
592P50.8Low38.2Very low116 Ų116120.3 Ų120.375%0.75374%0.738SS**  trans-93.2161.1-174.438.1-36.3000113.8
593P40.2Very low38.5Very low124 Ų124121 Ų12181%0.80574%0.737SS**  trans-104.9127.8150.533.6-26.2000111.3T595P593-T595 PolarHBondContact O-N 3Å
594T37.7Very low39Very low126 Ų126124 Ų12477%0.77375%0.748SS**  trans-67.1123165.346.40000111
595T40.8Very low39.5Very low121 Ų121126.4 Ų126.474%0.74276%0.761SS**  trans163.3133.9133.933.80000111.3P593 P597P593-T595 PolarHBondContact O-N 3Å; T595-P597 WeakPolarHBondContact O-CD 3.41Å
596P39.6Very low39.2Very low126 Ų126130.5 Ų130.582%0.81877%0.767SS**PPolyproline II helixtrans-74120.5155.7-9.827000108.8
597P41Very low39.3Very low124 Ų124136.6 Ų136.681%0.80578%0.776SS**PPolyproline II helixtrans-73.1140.3174.329.8-33.7000111T595T595-P597 WeakPolarHBondContact O-CD 3.41Å
598H37.1Very low39.6Very low179 Ų179135.1 Ų135.183%0.82977%0.769SS**PPolyproline II helixtrans-79.5168.4173.4-159.2-79.6000111.2
599K38.4Very low39.3Very low186 Ų186135.6 Ų135.681%0.80976%0.76SS**  trans87.5149.5171.3-55.9-178.4-179-174.70115.8
600S37.8Very low39.2Very low84 Ų84141.4 Ų141.459%0.58777%0.768SS**  cis-169150.4-15.443.20000111.6
601V37.8Very low39Very low137 Ų137137.7 Ų137.783%0.8377%0.768SS**  trans-146.5101.5147.5-162.80000104.1
602E34.3Very low38.4Very low160 Ų160135.5 Ų135.575%0.74877%0.769SS**  65.710376.8-63-172.9-171.300112.2
603D40.4Very low37.6Very low134 Ų134140.6 Ų140.672%0.71778%0.779SS**  cis-133.8-97.7-8.8-169.254.2000113.8
604E44Very low37.1Very low162 Ų162138.4 Ų138.476%0.75778%0.779SS**  cis-151.1-169.7-2.7-142.5-118.580.600110.8
605L47.1Very low36.8Very low107 Ų107136.6 Ų136.656%0.5679%0.786SS**  trans-109.8158.4-139.7-68.2153.9000117.9
606F30.4Very low36.2Very low188 Ų188134.3 Ų134.383%0.82579%0.786SS**  trans71.5100.6157.9-63.7-59.8000122.4
607K37.3Very low35.9Very low191 Ų191134.1 Ų134.183%0.8379%0.788SS**  trans-45.6159.5130.6-75.3179178.11770111.4
608P42.5Very low35.6Very low107 Ų107131.9 Ų131.970%0.69578%0.775SS**  cis-160.6169.248.143.6-21.1000122
609T30.9Very low35.4Very low124 Ų124130.8 Ų130.876%0.76178%0.775SS**  trans68.5160.2142.445.80000123.6
610E32Very low35.2Very low194 Ų194125.3 Ų125.391%0.90777%0.772SS**  trans73.6145.1168.2-46-163.8156.100117.7
611G33Very low34.8Very low79 Ų79125.4 Ų125.481%0.81479%0.787SS**  cis171.286.1-9.700000117.7
612G32.7Very low34.5Very low76 Ų76122.7 Ų122.778%0.78479%0.786SS**  trans79.2156149.900000121.4
613K34.8Very low34.3Very low223 Ų223118.4 Ų118.497%0.9779%0.785SS**  trans55.1134.5165.7-67.3176.4173.5175.90118
614G30.3Very low34Very low78 Ų78116.6 Ų116.680%0.80478%0.783SS**  cis148.7152.615.300000110.5
615G29.7Very low33.3Very low89 Ų89117.3 Ų117.392%0.91879%0.786SS**  trans82.2150.6177.800000115.2
616G29.9Very low32.6Very low72 Ų72116.8 Ų116.874%0.74279%0.791SS**  cis141.4134.7-900000113.4
617S31.8Very low32.5Very low122 Ų122114.1 Ų114.185%0.85379%0.79SS**  trans66160.1-178.6-121.70000115.1
618S34.5Very low32.4Very low78 Ų78113.3 Ų113.355%0.54579%0.789SS.*  cis-166.5169.5-3849.80000108.1
619D34.2Very low32.2Very low155 Ų155114.2 Ų114.283%0.82980%0.795SS**  trans65.7152.4165.7-48.8-58.7000116.6
620G32.8Very low32.2Very low72 Ų72112.5 Ų112.574%0.74279%0.793SS**  cis163.5146.8-5.600000111.6
621G31.2Very low32.1Very low86 Ų86108.9 Ų108.989%0.88779%0.79SS**  trans80.3151.7178.400000115
622G30.2Very low32.1Very low80 Ų80112.9 Ų112.983%0.82579%0.792SS**  cis130.4138.9-2.800000112.6
623G31.3Very low32Very low70 Ų70114 Ų11472%0.72279%0.794SS**  trans81112.5-168.700000110.4
624S32.8Very low31.8Very low95 Ų95110.5 Ų110.566%0.66479%0.786SS**  cis73.1130.533.596.70000114.6
625E30.9Very low31.8Very low178 Ų178112.1 Ų112.183%0.83278%0.78SS**  trans68.4152.9152.8-71.3155.8121.100118.2
626S31.9Very low31.9Very low96 Ų96114.9 Ų114.967%0.67177%0.774SS**  cis-166.2158.5-161780000110
627V28.9Very low32Very low131 Ų131116.7 Ų116.779%0.79477%0.771SS**  trans67.6143.4154.9153.90000119.5
628H34.1Very low32Very low174 Ų174117 Ų11781%0.80677%0.768SS**  trans-75172.4174.7-53.2-93000112.2
629P38.4Very low31.9Very low126 Ų126117.3 Ų117.382%0.81877%0.774SS**  -138.715896.137.7-26.9000114.3
630A30.1Very low31.8Very low89 Ų89120.2 Ų120.274%0.73678%0.78SS**  trans-85.7157.8169.700000111.5
631S31.5Very low31.8Very low118 Ų118120 Ų12083%0.82578%0.778SS**  trans-156.2137.2151.8-12.80000111.5
632N31.2Very low31.9Very low162 Ų162121 Ų12187%0.86677%0.771SS**  trans-66.6152.9178.7-52.8-34.6000112.2
633A31.4Very low31.8Very low100 Ų100123 Ų12383%0.82677%0.768SS**  177.9104.9112.100000114.2
634N30.1Very low31.6Very low150 Ų150130.2 Ų130.280%0.80277%0.773SS**  trans-20.3158.1152.1-85.1-7.9000121.3
635T31.5Very low31.6Very low112 Ų112131.3 Ų131.369%0.68777%0.771SS**  trans87.4128.2142.951.40000122.9
636N31.6Very low31.6Very low146 Ų146128.1 Ų128.178%0.78177%0.768SS**  trans77.7142.9133.3-72-8.4000119.2
637V32.6Very low31.4Very low111 Ų111133.4 Ų133.467%0.67377%0.773SS**  cis-163.8164-4.385.80000112.7
638T31.7Very low31.3Very low129 Ų129132 Ų13279%0.79177%0.769SS**  trans65.6155.2163.355.10000121
639A31.4Very low31.1Very low83 Ų83131.2 Ų131.269%0.68677%0.766SS**  cis-176.6164.7-2800000113.1
640K33Very low30.8Very low216 Ų216133.1 Ų133.194%0.93976%0.763SS**  trans113135.7150.9-66.4-179.5174.1175.30118.1
641G31.7Very low30.8Very low68 Ų68135.5 Ų135.570%0.70176%0.759SS**  trans124.262.3171.600000114.8
642S33.7Very low30.9Very low108 Ų108140 Ų14076%0.75576%0.758SS**  45.8130.786.970.50000115.8
643T27.7Very low31.2Very low121 Ų121141.2 Ų141.274%0.74276%0.756SS**  cis-169.4140.2-2.917.10000106.4
644W26.8Very low31.3Very low222 Ų222143.7 Ų143.784%0.84175%0.754SS**  45.513084.8-73.467.2000114
645L32.8Very low32.2Very low117 Ų117142.5 Ų142.561%0.61376%0.755SS**  cis-141.4-179.311.7-73.2107.4000110.1
646S31.4Very low32.9Very low111 Ų111144.8 Ų144.878%0.77676%0.758SS**  cis-162.8136.438.5-56.60000110.2
647R27.8Very low33.8Very low207 Ų207146 Ų14678%0.78176%0.759SS**  68.9105.970.2-168.6-159-75-95.30.4115.9
648S26.5Very low35.1Very low102 Ų102145.8 Ų145.871%0.71376%0.758SS**  163.8118.3120.9-71.40000116
649H30.1Very low36.5Very low158 Ų158147.7 Ų147.773%0.73176%0.758SS**  trans61.2159.8149.4-107.9-97.6000119.6
650H33Very low37.4Very low165 Ų165150.6 Ų150.676%0.76476%0.761SS**  cis-146.81429.8-36.2-120.4000113.8
651Q29.8Very low38.2Very low140 Ų140148.8 Ų148.865%0.65475%0.749SS**  trans45.1126133.8-67.2-92.3-48.500124.8
652R33.3Very low39.5Very low211 Ų211148.1 Ų148.180%0.79674%0.737SS**  trans96.1122.6135.9-73174.6-159.1-173.94.7124.9
653K37.3Very low40.7Very low188 Ų188148.9 Ų148.982%0.81773%0.729SS**  trans84.6123.2136.8-75.2-165.8174.5-166.20123.4
654L33.3Very low42Very low152 Ų152150.4 Ų150.480%0.79673%0.732SS**  trans31.5134.1142.4-96.771.6000122.9
655P49.2Very low43.4Very low126 Ų126149.9 Ų149.982%0.81873%0.73SS**  trans-102.6150.2140.2-324000113.1
656E45.2Very low44.2Very low159 Ų159153 Ų15374%0.74373%0.733SS**  trans-90.9143.2174.7-68.4164.3130.800110.5
657Q52Low44.9Very low173 Ų173156.1 Ų156.181%0.80874%0.738SS**  66.532.559.5-72.9-74.7-9.900115.5
658T58.3Low45.9Very low105 Ų105149.3 Ų149.364%0.64473%0.732SS**  trans-121.2-28.317751.30000116.2
659E61.8Low46.4Very low169 Ų169154.1 Ų154.179%0.7974%0.743SS**Hα-helixtrans-74.7-44.4-172-169.1169.3-152.400114.1Y661 A662 Q663E659-Y661 PolarHBondContact O-N 3.11Å; E659-A662 PolarHBondContact O-N 3.21Å; E659-A662 VanDerWaalsContact O-N 3.11Å; E659-Q663 PolarHBondContact O-N 3.4Å
660L50.8Low46.7Very low144 Ų144151.3 Ų151.375%0.75475%0.747SS**Hα-helixtrans-62.3-27.9-179.7-75.2169.7000113.5
661Y49.4Very low46.8Very low178 Ų178146.7 Ų146.770%0.69874%0.744SS**Hα-helixtrans-73.5-31.3177.6-169.6-103000112.3E659E659-Y661 PolarHBondContact O-N 3.11Å
662A59.8Low47Very low54 Ų54149.7 Ų149.745%0.44676%0.758SS.*Hα-helixtrans-70.9-36176.300000112.3E659 R665E659-A662 PolarHBondContact O-N 3.21Å; E659-A662 VanDerWaalsContact O-N 3.11Å; A662-R665 PolarHBondContact O-N 2.83Å
663Q57.7Low47Very low125 Ų125143.3 Ų143.358%0.58476%0.758SS**Hα-helixtrans-66.8-39-179.2-166.771.6-24.300112.4E659 R665E659-Q663 PolarHBondContact O-N 3.4Å; Q663-R665 VanDerWaalsContact C-N 3.27Å; Q663-R665 PolarHBondContact O-N 2.68Å
664L56Low47Very low153 Ų153141.2 Ų141.280%0.80176%0.756SS**Hα-helixtrans-73.6-17.2-176.7-144.973000113.6R666L664-R666 VanDerWaalsContact C-N 3.3Å; L664-R666 PolarHBondContact O-N 2.66Å
665R56.3Low47.1Very low210 Ų210139.2 Ų139.279%0.79275%0.75SS**THydrogen-bonded Turntrans-85.67.9-176.6-144.7-176.1-168.5-152.82.8114.5A662 Q663A662-R665 PolarHBondContact O-N 2.83Å; Q663-R665 VanDerWaalsContact C-N 3.27Å; Q663-R665 PolarHBondContact O-N 2.68Å
666R48.3Very low46.5Very low182 Ų182140.2 Ų140.269%0.68774%0.744SS**THydrogen-bonded Turntrans-115.58.8-176.8-71.3-169.2-74.7-132.90115.1L664L664-R666 VanDerWaalsContact C-N 3.3Å; L664-R666 PolarHBondContact O-N 2.66Å
667M47.8Very low46.1Very low178 Ų178142.4 Ų142.488%0.87775%0.745SS**SBendtrans-132.240.5-169.5-156.672.973.900113.1
668G47.5Very low45.4Very low63 Ų63138.2 Ų138.265%0.64973%0.732SS**  trans-165136.4177.700000113.4
669Q37.7Very low44.2Very low204 Ų204140 Ų14095%0.95373%0.731SS**  trans68.2128.8-168.7-53-176-54.900113.6
670A35.2Very low43Very low98 Ų98133.6 Ų133.681%0.8171%0.71SS**  cis-137.3176.8-1100000108.3
671G35.4Very low42.5Very low69 Ų69130.7 Ų130.771%0.71170%0.695SS**  72.5131.86100000110.7
672E33.7Very low42.5Very low202 Ų202127.2 Ų127.294%0.94469%0.685SS**  cis-170.8148.210.7-171.9165.9170.400110.6
673G34.8Very low41.6Very low77 Ų77131.1 Ų131.179%0.79470%0.699SS**  trans69.6163.2169.500000119.3
674D35.9Very low40.7Very low145 Ų145135.4 Ų135.478%0.77571%0.711SS**  cis-164163.1-23.9-164.714.6000111.9
675T37.1Very low39.8Very low110 Ų110134.7 Ų134.768%0.67572%0.717SS**  trans68154.1169.673.90000118
676Q36.6Very low38.8Very low147 Ų147128.6 Ų128.669%0.68771%0.712SS**  cis-159.9151.10.4-132.7-176.646.800112.2
677R36Very low38.4Very low205 Ų205127.7 Ų127.777%0.77472%0.72SS**  trans63150.5159.2-59.4179.8-179.4-91.1-0.8120.2
678T38.2Very low38.4Very low85 Ų85125.2 Ų125.252%0.52172%0.72SS.*  cis-160154-22.327.90000107.7
679F32.5Very low38.3Very low142 Ų142131 Ų13162%0.62374%0.735SS**  168.9158.390.8-98.3-71.4000114.2E471 S473E471-F679 VanDerWaalsContact OE2-CD1 3.26Å; E471-F679 WeakPolarHBondContact OE2-CD1 3.2Å; S473-F679 WeakPolarHBondContact CB-O 3.41Å; S473-F679 PolarHBondContact OG-O 3.34Å
680G37.3Very low38.5Very low35 Ų35125 Ų12536%0.36173%0.728SS.*  trans81.2118.1148.300000120.8E471 S473E471-G680 PolarHBondContact OE2-N 3.1Å; S473-G680 WeakPolarHBondContact CA-O 3.45Å; S473-G680 WeakPolarHBondContact CB-O 3.41Å; S473-G680 PolarHBondContact N-O 3.45Å; S473-G680 PolarHBondContact OG-O 2.78Å
681D39.2Very low38.9Very low82 Ų82127.5 Ų127.544%0.43972%0.723SS.*  trans-110.3176.7177.8-122.6-31.5000115.4E471 T472 S473E471-D681 VanDerWaalsContact C-CB 3.46Å; E471-D681 VanDerWaalsContact C-OD2 3.27Å; T472-D681 VanDerWaalsContact N-CG 3.26Å; T472-D681 VanDerWaalsContact N-N 3.11Å; T472-D681 PolarHBondContact N-OD2 3.46Å; T472-D681 VanDerWaalsContact N-OD2 3.13Å; S473-D681 PolarHBondContact N-OD1 2.96Å
682H48.7Very low39.4Very low106 Ų106130.3 Ų130.349%0.49173%0.732SS.*  174.9151.6109.5-92.5-71.5000113.1
683D41.3Very low40.1Very low135 Ų135131.6 Ų131.672%0.72273%0.728SS**  trans-60.2151.7-172.5-66.4-91.8000115.7
684Y40Very low40.8Very low215 Ų215136.8 Ų136.884%0.84373%0.729SS**  trans-154.597.7141-107.3-69.7000113.1
685C36.9Very low41.3Very low138 Ų138139.4 Ų139.493%0.93273%0.728SS**  trans-142.244.6161.6-99.70000112.9
686A34.2Very low41.5Very low83 Ų83139.5 Ų139.569%0.68673%0.733SS**  trans-113.341.9-174.700000114.9
687L40.1Very low41.8Very low162 Ų162137 Ų13785%0.84874%0.737SS**  trans-128.269.7174.9-73.9179.9000113.2
688S47.2Very low42.2Very low126 Ų126131.3 Ų131.388%0.88173%0.734SS**SBendtrans-159.935.3166.4-87.80000115.9
689L45.7Very low42.4Very low185 Ų185134.2 Ų134.297%0.96975%0.745SS**SBendtrans-135.250.8171.3-111.4172.9000112.9
690G42.8Very low42.9Very low78 Ų78135 Ų13580%0.80476%0.755SS**SBendtrans-127.9-23-172.900000118
691E42.7Very low43.1Very low150 Ų150136.3 Ų136.370%0.70177%0.768SS**  trans-137.950.9-169.2-146-167.9159.800116.5
692S46.7Very low43.2Very low128 Ų128136.7 Ų136.790%0.89578%0.783SS**SBendtrans-106.527.2175-156.80000114.1
693R47.5Very low42.8Very low229 Ų229139.1 Ų139.186%0.86480%0.798SS**SBendtrans-147.752.6-175.8-152.7-176.4-171.5-157.52.2116.3
694K51Low42.7Very low187 Ų187140.1 Ų140.181%0.81380%0.802SS**SBendtrans-153.319.4175-106.9149.6-173.2178.90117.3
695R46.7Very low42.5Very low199 Ų199138.9 Ų138.975%0.75180%0.804SS**SBendtrans-129.60.7-179.6-58.8-171.9-163.3171.89.8116.8A697R695-A697 VanDerWaalsContact C-N 3.29Å; R695-A697 PolarHBondContact O-N 3.48Å
696S41.1Very low42.3Very low113 Ų113138.8 Ų138.879%0.7980%0.8SS**THydrogen-bonded Turntrans-82.910-178.544.80000115.5
697A41.6Very low42.2Very low94 Ų94144.3 Ų144.378%0.77781%0.811SS**THydrogen-bonded Turntrans-102.2-14.3177.800000114.3R695R695-A697 VanDerWaalsContact C-N 3.29Å; R695-A697 PolarHBondContact O-N 3.48Å
698A45Very low41.6Very low86 Ų86140.3 Ų140.371%0.71181%0.809SS**SBendtrans-87.1-9.8-17300000114.7
699I43Very low40.6Very low145 Ų145138.2 Ų138.274%0.74481%0.808SS**SBendtrans-116.939.2-171.7-38.5-177000111.5
700L43.3Very low39.9Very low159 Ų159134.9 Ų134.983%0.83280%0.8SS**SBendtrans-127.33165.7-72.5176.6000113.4
701G41.1Very low39.2Very low62 Ų62140.1 Ų140.164%0.63980%0.803SS**SBendtrans-88.7-3.8176.600000115.7
702A40.1Very low38.5Very low90 Ų90136.3 Ų136.374%0.74481%0.805SS**SBendtrans-109.410.8-164.400000115.5
703I40.6Very low37.6Very low157 Ų157138.6 Ų138.681%0.80581%0.807SS**SBendtrans-120.7-2.1-177.5-65.7177.1000112.4
704L39.9Very low36.7Very low157 Ų157130.7 Ų130.782%0.82280%0.797SS**  trans-126.179.4175-74.2173000111.4
705Q35.4Very low35.5Very low189 Ų189128 Ų12888%0.88380%0.796SS**  trans-159.659.6161.1-122.8159.4104.700113.4
706T31.8Very low34.7Very low136 Ų136127 Ų12783%0.83480%0.8SS**  trans-94.3143.6147.350.70000108.7
707Q32.7Very low34Very low198 Ų198126.2 Ų126.293%0.92580%0.795SS**SBendtrans87.8129.9169.5-162.7167.729.900117.9
708G27.4Very low33.3Very low79 Ų79126.3 Ų126.381%0.81479%0.789SS**  trans88.5101.9152.800000116.8
709G27Very low32.3Very low82 Ų82126.7 Ų126.785%0.84579%0.787SS**  trans-107.6132.4155.800000109.8
710S29.7Very low31.5Very low115 Ų115125.4 Ų125.480%0.80479%0.785SS**  trans-158.3155.7161.4-156.50000111
711E28.3Very low30.9Very low187 Ų187123.1 Ų123.187%0.87478%0.778SS**  trans-43.4151.7-177-56.4161.7115.200118.2
712G28.2Very low30.3Very low71 Ų71126.1 Ų126.173%0.73278%0.78SS**  109107.6116.400000120.4
713D28.9Very low29.8Very low175 Ų175126.9 Ų126.994%0.93677%0.771SS**  trans62.4177.2146.4-160.220.5000118.5
714G27.8Very low29.3Very low64 Ų64126.8 Ų126.866%0.6677%0.767SS**  trans109.489.6161.900000116.4
715T26.1Very low28.7Very low129 Ų129125.2 Ų125.279%0.79176%0.764SS**  trans-79.4160.9165.2-45.50000111
716Q29.6Very low28.6Very low179 Ų179124.3 Ų124.384%0.83676%0.764SS**  trans79.7160.4167.6-49-178.124.100115.9
717S26.7Very low28.3Very low97 Ų97120.7 Ų120.768%0.67875%0.754SS**  cis-168.5179.8-35.165.60000109.5
718S27.5Very low28.1Very low95 Ų95118.8 Ų118.866%0.66475%0.745SS**  trans29.3101.2152.4174.40000118.6
719S23.8Very low28Very low95 Ų95123.1 Ų123.166%0.66474%0.741SS**  80.213081.991.30000116.7
720V26.2Very low28.1Very low117 Ų117124.9 Ų124.971%0.70974%0.736SS**  trans55.3126.4137.7-1750000116.8
721V29.1Very low28Very low111 Ų111125.7 Ų125.767%0.67373%0.727SS**  -165.9177.354.3-135.50000111.4
722D28.7Very low27.9Very low126 Ų126124.6 Ų124.667%0.67472%0.721SS**  trans69.6154.6138.8-77.86.6000122
723N30.5Very low27.8Very low105 Ų105124.6 Ų124.656%0.56171%0.71SS**  cis-159.6165.5-18.6-130.3-44.1000111.1
724Q30.3Very low27.9Very low155 Ų155124.1 Ų124.172%0.72470%0.703SS**  trans52.2127.8151.4-73.2158.769.400120.2
725V27.8Very low27.9Very low124 Ų124128.3 Ų128.375%0.75271%0.705SS**  85136.353.7169.30000113.9
726L31.6Very low28.3Very low171 Ų171129.3 Ų129.390%0.89570%0.7SS**  trans67.9142.1-179.3-75.1152.8000115.8
727G26.8Very low28.3Very low60 Ų60129.4 Ų129.462%0.61969%0.693SS**  cis173.5171.5-5.300000113.9
728E28.2Very low28.3Very low158 Ų158131.2 Ų131.274%0.73870%0.695SS**  trans64123.8174.2-64.6-155.3106.100116.4
729K24.2Very low28.3Very low169 Ų169132 Ų13274%0.73570%0.695SS**  cis86.1156.848.5-178.8-154-173.1-168.50110.9
730V29.9Very low28.3Very low120 Ų120134.9 Ų134.973%0.72770%0.7SS**  trans84.6136.6-179.3-178.30000113.6
731Q27.5Very low28.3Very low132 Ų132133.9 Ų133.962%0.61769%0.694SS**  cis-173135.8-25.6178.9158.5-9.200107.4
732E26Very low28.1Very low163 Ų163136.9 Ų136.976%0.76270%0.701SS**  trans57.9172.3159.1-80.6147.4-146.900116.9
733S27.4Very low27.9Very low71 Ų71136.8 Ų136.850%0.49771%0.705SS.*  cis-153.6170.9-26.646.20000107.6
734E29.5Very low27.8Very low166 Ų166137 Ų13778%0.77671%0.709SS**  trans63.7160.4141-79.8147.4-178.100117.6
735E29.7Very low27.7Very low152 Ų152137.6 Ų137.671%0.7171%0.712SS**  cis-150.4171.6-27.2-140.8-179.9169.200106.9
736E33.2Very low27.6Very low149 Ų149137.9 Ų137.970%0.69671%0.714SS**  trans65.6162149.5-77.2-146.2148.200117.4
737R29.4Very low27.4Very low182 Ų182136.8 Ų136.869%0.68771%0.705SS**  cis-168.1163.1-16.7164.9161178.2-946.6109.9
738L27.6Very low27.4Very low135 Ų135140.4 Ų140.471%0.70771%0.705SS**  trans0.2141.6154.2-55.1166.4000116.6
739V26.5Very low27.5Very low112 Ų112139.4 Ų139.468%0.67970%0.701SS**  cis-170.4-175.420.7102.60000111.8
740M23.9Very low27.8Very low155 Ų155138.7 Ų138.776%0.76470%0.7SS**  trans-22.3162.2159.8-48.4162.678.100116.4
741T26.3Very low27.8Very low95 Ų95139.1 Ų139.158%0.58370%0.703SS**  cis-170.1169.647.8-24.10000111.8
742E25.4Very low27.8Very low175 Ų175138.4 Ų138.482%0.81871%0.708SS**  trans22.1152.5135.6-77.7173.1177.600121.7
743V25.3Very low27.9Very low124 Ų124139.4 Ų139.475%0.75272%0.715SS**  cis179.9174-18.1110.40000106.6
744V26.6Very low28.1Very low109 Ų109141.5 Ų141.566%0.66172%0.724SS**  trans78.2111.5163.5140.50000119.3
745E28.7Very low28.1Very low168 Ų168141.3 Ų141.379%0.78573%0.728SS**  39170.3121.3-54.3-173.3110.800124.5
746T25.5Very low28.2Very low129 Ų129138.8 Ų138.879%0.79173%0.727SS**  trans76127.3177.467.90000115.3
747Q28.2Very low27.9Very low149 Ų149136.1 Ų136.170%0.69672%0.724SS**  cis106.9124.726.1-176.6174.4-2.600111.8
748E27.4Very low28Very low136 Ų136132.5 Ų132.564%0.63673%0.727SS**  trans74.8115.9157.8-76.3168-171.500123
749Q30.2Very low28.9Very low137 Ų137131.5 Ų131.564%0.6473%0.729SS**  65.5113.5119.4-65.4-174.461.600122.6
750Q30.4Very low29.9Very low154 Ų154131.6 Ų131.672%0.7273%0.732SS**  80.2160.6124.8-66-174.821.900122.2
751T28.9Very low30.3Very low128 Ų128128.5 Ų128.579%0.78573%0.726SS**  trans81154.5163.571.40000118.8
752T28.8Very low30.4Very low118 Ų118130.6 Ų130.672%0.72473%0.733SS**  174.6138.2-69-80.10000109.5
753M27.4Very low30.4Very low183 Ų183127.4 Ų127.490%0.90173%0.729SS**  trans-134.9125159-61-174.6-17800106.8
754V32.3Very low30.5Very low116 Ų116130.3 Ų130.370%0.70373%0.734SS**  66127.753.6-1760000110.2
755L29.5Very low30.5Very low162 Ų162130 Ų13085%0.84874%0.736SS**  cis-92.9-174.913.7-68.6166.4000113.9
756S31.8Very low30.4Very low98 Ų98130.5 Ų130.569%0.68574%0.743SS**  cis176.1-175.6-42-149.90000106.8
757S26.7Very low30.4Very low93 Ų93128.9 Ų128.965%0.6574%0.742SS**  cis-160.8140.35.155.80000112.9
758S31.5Very low30.3Very low106 Ų106126.5 Ų126.574%0.74175%0.749SS**  55.7151.5128.3-53.60000123.7
759P46.3Very low30.5Very low115 Ų115126.6 Ų126.675%0.74776%0.759SS**  cis-141.7-151.1-34.737.8-15.9000112.1
760P47.5Very low31.4Very low114 Ų114125.5 Ų125.574%0.7476%0.763SS**  -108.4-168-80.832.4-10.2000111.3
761S31.7Very low32.1Very low90 Ų90123.5 Ų123.563%0.62976%0.764SS**  cis-162.4160.432.1-49.20000114.7
762D27.6Very low31.9Very low139 Ų139123.2 Ų123.274%0.74376%0.762SS**  trans42.6126.1149.4-47-29.9000121
763C26.2Very low31.8Very low107 Ų107122.6 Ų122.672%0.72376%0.762SS**  cis82.2102.220.4-500000118.1
764Q28.2Very low32.1Very low186 Ų186122.5 Ų122.587%0.86976%0.759SS**  trans176.9149.4135.2-95151.3102.700109.2
765S25.3Very low32.2Very low101 Ų101125.2 Ų125.271%0.70676%0.764SS**  cis119.6136.3-1.9-70.20000114.4
766I26.9Very low32.5Very low179 Ų179126.5 Ų126.592%0.91877%0.766SS**  trans82.2150.8162.2-65165000117.5
767A24.6Very low32.6Very low95 Ų95125.9 Ų125.979%0.78577%0.767SS**  trans-100.7163.6-162.100000115.2
768A28Very low32.8Very low100 Ų100128.5 Ų128.583%0.82677%0.769SS**  trans-151.3160.4153.200000110
769T30.6Very low32.8Very low138 Ų138131 Ų13185%0.84777%0.768SS**  trans-112.1-176.3171.9-6.80000109.8
770P48.7Very low31.9Very low114 Ų114132 Ų13274%0.7477%0.767SS**  trans-88-177.3-142.646.5-41.6000112.7
771P44.9Very low31.1Very low112 Ų112131.4 Ų131.473%0.72777%0.765SS**  -152.9-167.680.537-14.1000115.1
772V24.8Very low30.9Very low122 Ų122131.8 Ų131.874%0.73977%0.774SS**  trans71.2116.7161.5-179.80000115.6
773S28.4Very low31Very low105 Ų105130.2 Ų130.273%0.73477%0.774SS**  cis81.815611.2-29.20000115.2
774E32.2Very low31.2Very low181 Ų181136.1 Ų136.185%0.84678%0.781SS**  cis-131.1-138.68-64.6-176.663.500111.5
775E34.1Very low31.4Very low172 Ų172132.6 Ų132.680%0.80478%0.777SS**  trans52.8113.6159.276.3-167.1-165.300122.4
776E35.9Very low32.1Very low189 Ų189133.6 Ų133.688%0.88378%0.781SS**  93.5148.693.6-76.3-16616100113.7
777A34Very low32.3Very low86 Ų86130.3 Ų130.371%0.71177%0.774SS**  cis-140.8175.55.900000114
778E32.5Very low33.4Very low147 Ų147130.9 Ų130.969%0.68777%0.77SS**  trans-45.5163.1167.7-46.7-174143.900115.2
779H29.9Very low33.6Very low158 Ų158133.3 Ų133.373%0.73177%0.767SS**  -154.9140.965.3-66.5-56.3000111.7
780L28.4Very low33.4Very low137 Ų137134.4 Ų134.472%0.71777%0.767SS**  49.3136.790.5-47.8173.2000115
781S29.3Very low32.5Very low101 Ų101136.4 Ų136.471%0.70677%0.766SS**  cis-173.7162.7-5.9-105.50000111.5
782A27.6Very low31.7Very low99 Ų99138.2 Ų138.282%0.81877%0.767SS**  trans65.6158155.700000119.5
783S29.8Very low32.2Very low105 Ų105138 Ų13873%0.73477%0.77SS**  cis-167.8142.4-2554.50000113.6
784R32Very low33Very low231 Ų231138.1 Ų138.187%0.87277%0.768SS**  trans46.9110.7149.2-70.2-177.9165.8-172.8-4.7121.7
785S31.7Very low32.7Very low112 Ų112137.1 Ų137.178%0.78377%0.768SS**  trans64.6168.713570.40000120.2
786P40.7Very low32.9Very low122 Ų122134.5 Ų134.579%0.79277%0.769SS**  cis-123-175.4-20.834.1-15.3000113.4
787S31.2Very low33.2Very low111 Ų111131.4 Ų131.478%0.77677%0.765SS**  trans-87.6-179.3174-27.70000112.7
788P46.6Very low32.8Very low106 Ų106132.9 Ų132.969%0.68877%0.77SS**  cis-143.1-170.6-5.345.8-27.9000116.5
789I31.6Very low32.8Very low151 Ų151131.8 Ų131.877%0.77478%0.779SS**  trans73.6127155.8-65.8165.2000120.9
790L27.7Very low33Very low161 Ų161133.9 Ų133.984%0.84379%0.786SS**  trans171.2123.7131-88.1173.7000106.3
791H29.1Very low33.2Very low156 Ų156134.2 Ų134.272%0.72279%0.794SS**  85.513456.9-155.8-100.1000115.1
792M28.9Very low33.1Very low151 Ų151136.7 Ų136.774%0.74480%0.799SS**  trans108.3136.8167.9-53.6-83.73700119.2
793C34.5Very low33.1Very low118 Ų118137.5 Ų137.580%0.79780%0.799SS**  trans-107177165.2-53.60000109.5
794P44.6Very low33.2Very low106 Ų106136.4 Ų136.469%0.68879%0.791SS**  trans-133.6135.4144.335.5-22.6000115
795D26.6Very low33.1Very low161 Ų161133.4 Ų133.486%0.86179%0.787SS**  trans61.2153.3134.4-51.4-29.7000124.4
796S38.3Very low33Very low117 Ų117135.3 Ų135.382%0.81879%0.789SS**  trans-140.1151.3176.2-55.40000110.9
797P41.8Very low32.6Very low123 Ų123134.4 Ų134.480%0.79979%0.785SS**  trans-127.8135.9142.934.4-23.2000110.8
798S26.7Very low32.7Very low118 Ų118137.7 Ų137.783%0.82579%0.788SS**  cis80.489.548.8178.80000115
799S31.1Very low31.9Very low124 Ų124138.3 Ų138.387%0.86780%0.795SS**  trans-159.9163.114355.40000111.1
800K34.5Very low31.9Very low201 Ų201136.9 Ų136.987%0.87480%0.797SS**  trans-116.2152.5-176.8-53.1172.3179.5179.30110.8
801T31.8Very low32.3Very low145 Ų145135.9 Ų135.989%0.8980%0.798SS**  trans-156.8149.7144.731.20000110.4
802D29.1Very low32.6Very low153 Ų153135 Ų13582%0.81880%0.798SS**  trans-86.5-174.1171.9-75-78.6000112.3
803S27.6Very low33Very low116 Ų116135.3 Ų135.381%0.81180%0.803SS**  trans71.2159.2167-73.60000117.6
804S31.8Very low33.6Very low82 Ų82136.2 Ų136.257%0.57380%0.8SS**  cis-173172.3-39.848.50000107.1
805E29Very low33.7Very low168 Ų168140 Ų14079%0.78581%0.808SS**  trans64.999.8161.3-69158.996.500119.9
806N29.6Very low34.5Very low152 Ų152139.2 Ų139.281%0.81380%0.8SS**  61.7154.1106.5-158.336.4000121.6
807S33.3Very low34.7Very low103 Ų103138.9 Ų138.972%0.7279%0.789SS**  trans67.5157173760000117.1
808E32.1Very low34.6Very low179 Ų179142 Ų14284%0.83679%0.79SS**  cis-175.3127.7-31.9175.8179.2124.300106.6
809S29.1Very low35.5Very low119 Ų119143 Ų14383%0.83279%0.786SS**  trans166.5139.4144.438.80000111.1
810C33.1Very low36.1Very low122 Ų122142.1 Ų142.182%0.82477%0.767SS**  trans-99.6150.9171.8-52.30000109.6
811T35Very low36.7Very low140 Ų140135.9 Ų135.986%0.85975%0.748SS**  -162.1126.6125.333.50000111.5
812D36.1Very low37.6Very low136 Ų136132.5 Ų132.573%0.72773%0.725SS**  trans48.4105.9143.1-156.615.6000121.2N814D812-N814 WeakPolarHBondContact OD1-CB 3.41Å; D812-N814 PolarHBondContact OD1-N 2.94Å
813D37.9Very low38.9Very low158 Ų158131.3 Ų131.385%0.84571%0.714SS**  trans-14145.7156.4-107.9-42.5000109.2Q815D813-Q815 VanDerWaalsContact C-N 3.32Å; D813-Q815 PolarHBondContact O-N 3.1Å; D813-Q815 VanDerWaalsContact O-N 3.13Å
814N47.5Very low40.4Very low137 Ų137132.7 Ų132.773%0.73371%0.712SS**THydrogen-bonded Turntrans-90.237.2-161.9-136.6-19.9000114.9D812D812-N814 WeakPolarHBondContact OD1-CB 3.41Å; D812-N814 PolarHBondContact OD1-N 2.94Å
815Q45.7Very low42Very low185 Ų185132.9 Ų132.986%0.86471%0.707SS**THydrogen-bonded Turntrans-138.27.9-171.1-146.369.394.500117.9D813D813-Q815 VanDerWaalsContact C-N 3.32Å; D813-Q815 PolarHBondContact O-N 3.1Å; D813-Q815 VanDerWaalsContact O-N 3.13Å
816E42.9Very low44.3Very low145 Ų145126 Ų12668%0.67868%0.677SS**SBendtrans-126.922.2178.4-145.9-151.8107.400115.6K820E816-K820 PolarHBondContact O-NZ 2.82Å; E816-K820 IonicContact OE1-NZ 2.6Å; E816-K820 PolarHBondContact OE1-NZ 3.19Å
817N42.2Very low47Very low111 Ų111123 Ų12359%0.59466%0.658SS**  trans-117.419.2-172.9-70.3-46000115.1
818K41.3Very low49.7Very low188 Ų188121.1 Ų121.182%0.81764%0.642SS**SBendtrans-92.1-26.8-177.8-163.7153.4-173.7170.30115.2
819D45.3Very low52.4Low140 Ų140115.9 Ų115.975%0.74962%0.617SS**SBendtrans-92.1-15.9-179-55.9-41.2000113.4
820K43.2Very low55.5Low105 Ų105117.5 Ų117.546%0.45761%0.606SS.*THydrogen-bonded Turntrans-83.4-18.5-173.6-66167.9-173.5145.30114.3E816 D822E816-K820 PolarHBondContact O-NZ 2.82Å; E816-K820 IonicContact OE1-NZ 2.6Å; E816-K820 PolarHBondContact OE1-NZ 3.19Å; K820-D822 VanDerWaalsContact C-N 3.33Å
821S47.5Very low58.4Low69 Ų69114.1 Ų114.148%0.48358%0.579SS.*THydrogen-bonded Turntrans-83.6-7.5178.754.70000114.1N825S821-N825 PolarHBondContact O-ND2 3.28Å; S821-N825 VanDerWaalsContact O-ND2 3.14Å
822D51Low61.2Low75 Ų75113 Ų11340%0.40156%0.564SS.*SBendtrans-84.3-21-176.8-173.546.3000112.6K820 C826 R872K820-D822 VanDerWaalsContact C-N 3.33Å; D822-C826 PolarHBondContact O-SG 3.45Å; D822-C826 VanDerWaalsContact O-SG 3.34Å; D822-R872 PolarHBondContact O-NH1 2.84Å; D822-R872 IonicContact OD1-CZ 3.21Å; D822-R872 IonicContact OD1-NH1 3.59Å; D822-R872 PolarHBondContact OD1-NH1 3.43Å; D822-R872 IonicContact OD1-NH2 3.58Å; D822-R872 IonicContact OD2-CZ 3.43Å; D822-R872 IonicContact OD2-NH1 2.73Å; D822-R872 PolarHBondContact OD2-NH1 3.45Å; D822-R872 IonicContact OD2-NH2 3.97Å; D822-R872 PolarHBondContact OD2-NH2 3.46Å
823E55.2Low63.9Low128 Ų128111.7 Ų111.760%0.59856%0.557SS**SBendtrans-79.8-31.2179.2-57.7-15797.300113.2N825 C826 K870E823-N825 PolarHBondContact O-N 2.87Å; E823-C826 WeakPolarHBondContact O-CB 3.49Å; E823-C826 PolarHBondContact O-N 2.82Å; E823-K870 IonicContact OE1-NZ 2.64Å
824D58.9Low66.6Low144 Ų144105 Ų10577%0.7752%0.521SS*.THydrogen-bonded Turntrans-65.4-19.4-178.9-75.3-32.1000114
825N66.6Low68.8Low87 Ų87101.7 Ų101.747%0.46551%0.507SS..THydrogen-bonded Turntrans-959.9-178.9-65.1-79.2000113.4S821 E823 Q873S821-N825 PolarHBondContact O-ND2 3.28Å; S821-N825 VanDerWaalsContact O-ND2 3.14Å; E823-N825 PolarHBondContact O-N 2.87Å; N825-Q873 PolarHBondContact O-N 3.36Å; N825-Q873 VanDerWaalsContact O-N 3.15Å
826C76.8Confident70.9Confident22 Ų2297.8 Ų97.815%0.14950%0.5CS..EExtended strand (participates in β ladder)trans-105.3110.3-172.6-67.90000113D822 E823 K870 I871D822-C826 PolarHBondContact O-SG 3.45Å; D822-C826 VanDerWaalsContact O-SG 3.34Å; E823-C826 WeakPolarHBondContact O-CB 3.49Å; E823-C826 PolarHBondContact O-N 2.82Å; C826-K870 HydrophobicContact CB-CD 4.21Å; C826-K870 HydrophobicContact CB-CG 3.83Å; C826-K870 WeakPolarHBondContact SG-CE 3.45Å; C826-I871 CarbonylContact C-O 3.53Å; C826-I871 WeakPolarHBondContact CA-O 3.42Å
827Q85.8Confident73.2Confident89 Ų89100.9 Ų100.942%0.41651%0.505SS..EExtended strand (participates in β ladder)trans-85.1121.7175.3-167.1172.17.900110.9F829 I871Q827-F829 HydrophobicContact CB-CE2 4.02Å; Q827-F829 HydrophobicContact CB-CZ 4.46Å; Q827-F829 HydrophobicContact CG-CD2 4.36Å; Q827-F829 HydrophobicContact CG-CE1 4.42Å; Q827-F829 HydrophobicContact CG-CE2 3.63Å; Q827-F829 HydrophobicContact CG-CZ 3.68Å; Q827-I871 PolarHBondContact N-O 2.83Å; Q827-I871 PolarHBondContact O-N 3.32Å
828V89.7Confident75.7Confident65 Ų6596.1 Ų96.139%0.39448%0.481SS..EExtended strand (participates in β ladder)trans-103123.6179.7-173.80000111.1Y830 V868 I869 K870V828-Y830 HydrophobicContact CB-CE2 4.49Å; V828-Y830 HydrophobicContact CG1-CD2 4.33Å; V828-Y830 HydrophobicContact CG1-CE2 3.64Å; V828-V868 HydrophobicContact CG1-CG1 3.95Å; V828-I869 CarbonylContact C-O 3.56Å; V828-I869 WeakPolarHBondContact CA-O 3.46Å; V828-K870 HydrophobicContact CG2-CB 4.25Å; V828-K870 HydrophobicContact CG2-CG 4.13Å
829F90.6Very high78.1Confident69 Ų6991 Ų9130%0.30347%0.465SS..EExtended strand (participates in β ladder)trans-108.8142176-58.9-94.3000111.1Q827 V868 I869 I871Q827-F829 HydrophobicContact CB-CE2 4.02Å; Q827-F829 HydrophobicContact CB-CZ 4.46Å; Q827-F829 HydrophobicContact CG-CD2 4.36Å; Q827-F829 HydrophobicContact CG-CE1 4.42Å; Q827-F829 HydrophobicContact CG-CE2 3.63Å; Q827-F829 HydrophobicContact CG-CZ 3.68Å; F829-V868 WeakPolarHBondContact O-CA 3.3Å; F829-I869 HydrophobicContact CB-CB 4.4Å; F829-I869 PolarHBondContact N-O 3.37Å; F829-I869 PolarHBondContact O-N 3.11Å; F829-I871 HydrophobicContact CD2-CD1 4.02Å; F829-I871 HydrophobicContact CD2-CG1 4.09Å; F829-I871 HydrophobicContact CE2-CB 4.45Å; F829-I871 HydrophobicContact CE2-CD1 3.67Å; F829-I871 HydrophobicContact CE2-CG1 3.96Å
830Y93.3Very high80.4Confident152 Ų15287.9 Ų87.960%0.59645%0.446SS*.EExtended strand (participates in β ladder)trans-118.6122.3174.3-66.4-89.2000109.8V828 G867 V868V828-Y830 HydrophobicContact CB-CE2 4.49Å; V828-Y830 HydrophobicContact CG1-CD2 4.33Å; V828-Y830 HydrophobicContact CG1-CE2 3.64Å; Y830-G867 CarbonylContact C-O 3.6Å; Y830-G867 WeakPolarHBondContact CA-O 3.32Å; Y830-V868 HydrophobicContact CD1-CG1 4.35Å; Y830-V868 HydrophobicContact CD1-CG2 3.88Å; Y830-V868 HydrophobicContact CE1-CB 4.4Å; Y830-V868 HydrophobicContact CE1-CG1 3.86Å; Y830-V868 HydrophobicContact CE1-CG2 3.77Å
831I93.1Very high82.7Confident52 Ų5286.9 Ų86.927%0.26745%0.446SS..EExtended strand (participates in β ladder)trans-115.7104.4179.4-50.6178.6000108.6L834 L843 F847 C866 G867 I869I831-L834 HydrophobicContact CB-CD2 4.1Å; I831-L834 HydrophobicContact CG2-CD2 3.55Å; I831-L834 HydrophobicContact CG2-CG 4.4Å; I831-L843 HydrophobicContact CD1-CD2 4.41Å; I831-F847 HydrophobicContact CD1-CE2 3.66Å; I831-F847 HydrophobicContact CD1-CZ 3.6Å; I831-C866 CarbonylContact O-C 3.53Å; I831-C866 VanDerWaalsContact O-CA 3.24Å; I831-C866 WeakPolarHBondContact O-CA 3.49Å; I831-G867 PolarHBondContact N-O 2.89Å; I831-G867 PolarHBondContact O-N 2.98Å; I831-I869 HydrophobicContact CD1-CD1 3.51Å; I831-I869 HydrophobicContact CG1-CD1 4.22Å
832H94.4Very high84.9Confident117 Ų11786.2 Ų86.254%0.54244%0.435SS..  trans-74.9165.6176.6-67-89.4000112.3L834 E864 C866H832-L834 PolarHBondContact O-N 3.19Å; H832-E864 IonicContact ND1-OE2 3.85Å; H832-C866 PolarHBondContact ND1-SG 2.83Å; H832-C866 VanDerWaalsContact ND1-SG 3.39Å
833N92.8Very high86.9Confident107 Ų10782.9 Ų82.957%0.57242%0.418SS*.SBendtrans51.143.4174.3-79.2-68.2000115.8P835 E864 R865N833-P835 WeakPolarHBondContact O-CD 3.46Å; N833-E864 VanDerWaalsContact CG-CD 3.5Å; N833-E864 PolarHBondContact ND2-OE1 2.83Å; N833-E864 PolarHBondContact ND2-OE2 2.57Å; N833-E864 PolarHBondContact OD1-OE1 2.87Å; N833-R865 PolarHBondContact N-O 3.43Å; N833-R865 VanDerWaalsContact N-O 3.08Å
834L94.6Very high88.6Confident18 Ų1881 Ų819%0.09441%0.405CS..  trans-65.3126.8175.4-69.6-176000112I831 H832 V838 L843 V858 R865 G867I831-L834 HydrophobicContact CB-CD2 4.1Å; I831-L834 HydrophobicContact CG2-CD2 3.55Å; I831-L834 HydrophobicContact CG2-CG 4.4Å; H832-L834 PolarHBondContact O-N 3.19Å; L834-V838 HydrophobicContact CB-CB 4.27Å; L834-V838 HydrophobicContact CB-CG2 4.4Å; L834-V838 HydrophobicContact CD1-CB 4.49Å; L834-V838 HydrophobicContact CD1-CG1 3.98Å; L834-V838 HydrophobicContact CD2-CG1 4.24Å; L834-V838 HydrophobicContact CD2-CG2 4.45Å; L834-L843 HydrophobicContact CD1-CD1 4.02Å; L834-L843 HydrophobicContact CD1-CD2 4.41Å; L834-L843 HydrophobicContact CD2-CD2 4.41Å; L834-V858 HydrophobicContact CD1-CG1 4.28Å; L834-V858 HydrophobicContact CD1-CG2 4.17Å; L834-R865 HydrophobicContact CB-CB 3.9Å; L834-R865 PolarHBondContact N-O 3.27Å; L834-R865 WeakPolarHBondContact O-CB 3.12Å; L834-R865 WeakPolarHBondContact O-CD 3.49Å; L834-G867 VanDerWaalsContact CD1-N 3.28Å
835P93.5Very high90.1Very high68 Ų6883 Ų8344%0.44240%0.402SS..  trans-55.4152172.6-27.935.5000113.2N833 R837 V838 R865N833-P835 WeakPolarHBondContact O-CD 3.46Å; P835-R837 HydrophobicContact CB-CG 4.12Å; P835-R837 PolarHBondContact O-N 3.21Å; P835-R837 VanDerWaalsContact O-N 3.12Å; P835-V838 HydrophobicContact CB-CG2 4.26Å; P835-V838 HydrophobicContact CG-CG2 4.42Å; P835-V838 WeakPolarHBondContact O-CB 3.39Å; P835-V838 WeakPolarHBondContact O-CG2 3.48Å; P835-V838 PolarHBondContact O-N 2.83Å; P835-R865 PolarHBondContact O-NH1 3.4Å
836S89.3Confident91.2Very high102 Ų10286.4 Ų86.471%0.71341%0.408SS*.THydrogen-bonded Turntrans-53.5-34.4-178.853.90000114.2V838 R865S836-V838 VanDerWaalsContact C-N 3.26Å; S836-V838 PolarHBondContact O-N 2.78Å; S836-R865 VanDerWaalsContact O-CZ 3.25Å; S836-R865 PolarHBondContact O-NH1 3.15Å; S836-R865 PolarHBondContact O-NH2 2.73Å
837R92.2Very high91.8Very high210 Ų21087.4 Ų87.479%0.79241%0.41SS*.THydrogen-bonded Turntrans-69.7-10.5175.862.8-179.7174.8-175-1.3115.4P835P835-R837 HydrophobicContact CB-CG 4.12Å; P835-R837 PolarHBondContact O-N 3.21Å; P835-R837 VanDerWaalsContact O-N 3.12Å
838V94.3Very high91.8Very high12 Ų1287.9 Ų87.97%0.07341%0.412CS..  trans-78.5127.6178.1-176.10000110.2L834 P835 S836 M842 L843 R865L834-V838 HydrophobicContact CB-CB 4.27Å; L834-V838 HydrophobicContact CB-CG2 4.4Å; L834-V838 HydrophobicContact CD1-CB 4.49Å; L834-V838 HydrophobicContact CD1-CG1 3.98Å; L834-V838 HydrophobicContact CD2-CG1 4.24Å; L834-V838 HydrophobicContact CD2-CG2 4.45Å; P835-V838 HydrophobicContact CB-CG2 4.26Å; P835-V838 HydrophobicContact CG-CG2 4.42Å; P835-V838 WeakPolarHBondContact O-CB 3.39Å; P835-V838 WeakPolarHBondContact O-CG2 3.48Å; P835-V838 PolarHBondContact O-N 2.83Å; S836-V838 VanDerWaalsContact C-N 3.26Å; S836-V838 PolarHBondContact O-N 2.78Å; V838-M842 HydrophobicContact CB-CE 4.1Å; V838-M842 HydrophobicContact CG1-CE 4.04Å; V838-M842 HydrophobicContact CG2-CE 3.77Å; V838-L843 HydrophobicContact CG1-CD2 3.76Å; V838-L843 HydrophobicContact CG1-CG 3.98Å; V838-R865 PolarHBondContact O-NH1 2.88Å
839T92.6Very high91.4Very high79 Ų7990.7 Ų90.749%0.48543%0.429SS..  trans-113.8160.9172.162.60000110.3N841 M842 L843T839-N841 VanDerWaalsContact C-N 3.29Å; T839-N841 PolarHBondContact O-N 2.93Å; T839-M842 PolarHBondContact O-N 3.01Å; T839-M842 VanDerWaalsContact O-N 3.08Å; T839-M842 PolarHBondContact OG1-N 2.85Å; T839-L843 PolarHBondContact O-N 3.23Å; T839-L843 VanDerWaalsContact O-N 3.08Å
840E92.8Very high90.7Very high75 Ų7594.1 Ų94.135%0.3544%0.444SS..Hα-helixtrans-55.8-43.5175.1-169.6-153.4110.600112.3M842 L843 R844 C856 V858E840-M842 VanDerWaalsContact C-N 3.28Å; E840-M842 PolarHBondContact O-N 2.75Å; E840-L843 WeakPolarHBondContact O-CA 3.44Å; E840-L843 WeakPolarHBondContact O-CB 3.3Å; E840-L843 PolarHBondContact O-N 2.82Å; E840-R844 WeakPolarHBondContact O-CB 3.32Å; E840-R844 PolarHBondContact O-N 2.8Å; E840-R844 IonicContact OE1-CZ 3.82Å; E840-R844 IonicContact OE1-NE 2.57Å; E840-R844 IonicContact OE1-NH2 3.7Å; E840-R844 PolarHBondContact OE1-NH2 3.37Å; E840-C856 VanDerWaalsContact CG-C 3.49Å; E840-C856 HydrophobicContact CG-CB 3.67Å; E840-C856 WeakPolarHBondContact CG-O 3.48Å; E840-V858 HydrophobicContact CB-CG2 4.37Å
841N92Very high89.9Confident85 Ų8587.6 Ų87.646%0.45542%0.424SS..Hα-helixtrans-60.1-37.5176.8-165.7-35.8000111.5T839 R844 R845T839-N841 VanDerWaalsContact C-N 3.29Å; T839-N841 PolarHBondContact O-N 2.93Å; N841-R844 PolarHBondContact O-N 2.92Å; N841-R845 WeakPolarHBondContact O-CB 3.28Å; N841-R845 WeakPolarHBondContact O-CG 3.38Å; N841-R845 PolarHBondContact O-N 3.38Å; N841-R845 PolarHBondContact OD1-NE 2.96Å
842M93.1Very high88.9Confident54 Ų5489.1 Ų89.127%0.26643%0.432SS..Hα-helixtrans-71.5-30.3174.9-165.9175.17400113V838 T839 E840 R846V838-M842 HydrophobicContact CB-CE 4.1Å; V838-M842 HydrophobicContact CG1-CE 4.04Å; V838-M842 HydrophobicContact CG2-CE 3.77Å; T839-M842 PolarHBondContact O-N 3.01Å; T839-M842 VanDerWaalsContact O-N 3.08Å; T839-M842 PolarHBondContact OG1-N 2.85Å; E840-M842 VanDerWaalsContact C-N 3.28Å; E840-M842 PolarHBondContact O-N 2.75Å; M842-R846 WeakPolarHBondContact O-CB 3.31Å; M842-R846 WeakPolarHBondContact O-CD 3.42Å; M842-R846 WeakPolarHBondContact O-CG 3.17Å; M842-R846 PolarHBondContact O-N 3.41Å
843L92.7Very high88Confident6 Ų683.6 Ų83.63%0.03141%0.407CS..Hα-helixtrans-65.6-53167.2-62.8-179.1000110.1I831 L834 V838 T839 E840 R845 R846 F847 C856 V858 I869I831-L843 HydrophobicContact CD1-CD2 4.41Å; L834-L843 HydrophobicContact CD1-CD1 4.02Å; L834-L843 HydrophobicContact CD1-CD2 4.41Å; L834-L843 HydrophobicContact CD2-CD2 4.41Å; V838-L843 HydrophobicContact CG1-CD2 3.76Å; V838-L843 HydrophobicContact CG1-CG 3.98Å; T839-L843 PolarHBondContact O-N 3.23Å; T839-L843 VanDerWaalsContact O-N 3.08Å; E840-L843 WeakPolarHBondContact O-CA 3.44Å; E840-L843 WeakPolarHBondContact O-CB 3.3Å; E840-L843 PolarHBondContact O-N 2.82Å; L843-R845 PolarHBondContact O-N 2.6Å; L843-R846 PolarHBondContact O-N 2.69Å; L843-F847 WeakPolarHBondContact O-CD2 3.36Å; L843-F847 PolarHBondContact O-N 3.06Å; L843-C856 HydrophobicContact CB-CB 4.37Å; L843-V858 HydrophobicContact CD1-CG2 3.73Å; L843-I869 HydrophobicContact CB-CD1 4.4Å; L843-I869 HydrophobicContact CB-CG1 4.41Å; L843-I869 HydrophobicContact CD1-CD1 4.38Å; L843-I869 HydrophobicContact CD1-CG1 4.29Å; L843-I869 HydrophobicContact CD2-CD1 4.45Å
844R90.8Very high86.8Confident87 Ų8782.6 Ų82.633%0.32840%0.399SS..Hα-helixtrans-50.1-51.9179.3-162.3-177.6-67.8-109.30.3111.7E840 N841 R846 F847 Q848 E854 C856E840-R844 WeakPolarHBondContact O-CB 3.32Å; E840-R844 PolarHBondContact O-N 2.8Å; E840-R844 IonicContact OE1-CZ 3.82Å; E840-R844 IonicContact OE1-NE 2.57Å; E840-R844 IonicContact OE1-NH2 3.7Å; E840-R844 PolarHBondContact OE1-NH2 3.37Å; N841-R844 PolarHBondContact O-N 2.92Å; R844-R846 PolarHBondContact O-N 2.87Å; R844-F847 PolarHBondContact O-N 3.47Å; R844-Q848 WeakPolarHBondContact O-CB 3.15Å; R844-Q848 PolarHBondContact O-N 3.11Å; R844-E854 PolarHBondContact NH1-O 3.16Å; R844-E854 PolarHBondContact NH2-O 3.4Å; R844-C856 WeakPolarHBondContact CA-SG 3.49Å; R844-C856 HydrophobicContact CB-CB 4.24Å; R844-C856 PolarHBondContact N-SG 3.34Å
845R90.4Very high86.1Confident187 Ų18785 Ų8571%0.70641%0.411SS*.Hα-helixtrans-60.1-39.1176.3-71.6177.7-174.5-138.7-3.5114.1N841 L843N841-R845 WeakPolarHBondContact O-CB 3.28Å; N841-R845 WeakPolarHBondContact O-CG 3.38Å; N841-R845 PolarHBondContact O-N 3.38Å; N841-R845 PolarHBondContact OD1-NE 2.96Å; L843-R845 PolarHBondContact O-N 2.6Å
846R90.1Very high85.9Confident159 Ų15981.8 Ų81.860%0.639%0.391SS*.Hα-helixtrans-74.6-33.6180-74173.5-179.1-141-2.8112.7M842 L843 R844M842-R846 WeakPolarHBondContact O-CB 3.31Å; M842-R846 WeakPolarHBondContact O-CD 3.42Å; M842-R846 WeakPolarHBondContact O-CG 3.17Å; M842-R846 PolarHBondContact O-N 3.41Å; L843-R846 PolarHBondContact O-N 2.69Å; R844-R846 PolarHBondContact O-N 2.87Å
847F89.1Confident86Confident43 Ų4381.7 Ų81.719%0.18938%0.378CS..Hα-helixtrans-94.4-10.5-176.5-75.8-85.5000114.2I831 L843 R844 V849 F850 A853 I869 I871I831-F847 HydrophobicContact CD1-CE2 3.66Å; I831-F847 HydrophobicContact CD1-CZ 3.6Å; L843-F847 WeakPolarHBondContact O-CD2 3.36Å; L843-F847 PolarHBondContact O-N 3.06Å; R844-F847 PolarHBondContact O-N 3.47Å; F847-V849 PolarHBondContact O-N 2.92Å; F847-V849 VanDerWaalsContact O-N 3.1Å; F847-F850 AromaticContact CD1-CD2 3.97Å; F847-F850 HydrophobicContact CD1-CD2 3.97Å; F847-F850 HydrophobicContact CD1-CE2 4.43Å; F847-F850 PolarHBondContact O-N 3.12Å; F847-A853 HydrophobicContact CB-CB 4.01Å; F847-I869 HydrophobicContact CB-CG2 4.09Å; F847-I869 HydrophobicContact CD1-CD1 4.29Å; F847-I869 HydrophobicContact CD2-CD1 3.47Å; F847-I869 VanDerWaalsContact CD2-CD1 3.47Å; F847-I869 HydrophobicContact CD2-CG1 4.5Å; F847-I869 HydrophobicContact CE1-CD1 4.31Å; F847-I869 HydrophobicContact CE2-CD1 3.5Å; F847-I869 HydrophobicContact CG-CD1 3.89Å; F847-I869 HydrophobicContact CG-CG2 4.23Å; F847-I869 HydrophobicContact CZ-CD1 3.95Å; F847-I871 HydrophobicContact CB-CD1 4.09Å; F847-I871 HydrophobicContact CD1-CD1 4.01Å; F847-I871 HydrophobicContact CG-CD1 4.5Å
848Q87.1Confident86.1Confident98 Ų9874 Ų7446%0.45835%0.354SS..G310 helixtrans-52.8-27.5171.1-168.864.471.800113.9R844 F850 G851R844-Q848 WeakPolarHBondContact O-CB 3.15Å; R844-Q848 PolarHBondContact O-N 3.11Å; Q848-F850 VanDerWaalsContact C-N 3.27Å; Q848-F850 PolarHBondContact O-N 2.91Å; Q848-G851 CarbonylContact C-O 3.53Å; Q848-G851 WeakPolarHBondContact CA-O 3.49Å; Q848-G851 PolarHBondContact NE2-O 3.24Å; Q848-G851 PolarHBondContact O-N 2.8Å; Q848-G851 VanDerWaalsContact O-O 3.12Å
849V80Confident86Confident124 Ų12476.9 Ų76.975%0.75237%0.368SS*.G310 helixtrans-69.4-24.7177.7-1760000112.2F847F847-V849 PolarHBondContact O-N 2.92Å; F847-V849 VanDerWaalsContact O-N 3.1Å
850F76.4Confident86Confident141 Ų14179.4 Ų79.462%0.61838%0.377SS*.G310 helixtrans-95.13.1-178.9-60.4-81.4000113.4F847 Q848 I871F847-F850 AromaticContact CD1-CD2 3.97Å; F847-F850 HydrophobicContact CD1-CD2 3.97Å; F847-F850 HydrophobicContact CD1-CE2 4.43Å; F847-F850 PolarHBondContact O-N 3.12Å; Q848-F850 VanDerWaalsContact C-N 3.27Å; Q848-F850 PolarHBondContact O-N 2.91Å; F850-I871 HydrophobicContact CB-CD1 3.91Å
851G76.9Confident85.7Confident16 Ų1678.3 Ų78.317%0.16538%0.377CS..SBendtrans132.5-168.2-178.400000112.3Q848 A853Q848-G851 CarbonylContact C-O 3.53Å; Q848-G851 WeakPolarHBondContact CA-O 3.49Å; Q848-G851 PolarHBondContact NE2-O 3.24Å; Q848-G851 PolarHBondContact O-N 2.8Å; Q848-G851 VanDerWaalsContact O-O 3.12Å; G851-A853 PolarHBondContact O-N 3.44Å
852N72.1Confident85.3Confident84 Ų8481.3 Ų81.345%0.44939%0.393SS..EExtended strand (participates in β ladder)trans-76.992.1179.7-79.74.3000110.5E854 R872N852-E854 HydrophobicContact CB-CG 4.12Å; N852-E854 WeakPolarHBondContact CB-OE1 3.15Å; N852-E854 PolarHBondContact ND2-OE1 3.08Å; N852-E854 PolarHBondContact O-N 2.79Å; N852-R872 HydrophobicContact CB-CB 4.31Å; N852-R872 PolarHBondContact N-O 3.29Å; N852-R872 PolarHBondContact O-N 3.05Å
853A75.4Confident85.1Confident1 Ų188.1 Ų88.11%0.00843%0.425CS..EExtended strand (participates in β ladder)trans-76.155.3173.400000111.5F847 G851 D855 I869 I871F847-A853 HydrophobicContact CB-CB 4.01Å; G851-A853 PolarHBondContact O-N 3.44Å; A853-D855 VanDerWaalsContact C-N 3.29Å; A853-D855 PolarHBondContact O-N 3.18Å; A853-I869 HydrophobicContact CB-CG2 4.31Å; A853-I871 HydrophobicContact CB-CG1 4.29Å
854E68.1Low85.1Confident86 Ų8691.1 Ų91.140%0.40244%0.438SS..EExtended strand (participates in β ladder)trans-61.3-36.8-174.6-76.4163.8-149.200112.4R844 N852 R872R844-E854 PolarHBondContact NH1-O 3.16Å; R844-E854 PolarHBondContact NH2-O 3.4Å; N852-E854 HydrophobicContact CB-CG 4.12Å; N852-E854 WeakPolarHBondContact CB-OE1 3.15Å; N852-E854 PolarHBondContact ND2-OE1 3.08Å; N852-E854 PolarHBondContact O-N 2.79Å; E854-R872 WeakPolarHBondContact OE1-CD 3.48Å; E854-R872 IonicContact OE1-NE 3.95Å; E854-R872 VanDerWaalsContact OE2-CD 3.3Å; E854-R872 WeakPolarHBondContact OE2-CD 3.3Å; E854-R872 IonicContact OE2-CZ 3.66Å; E854-R872 IonicContact OE2-NE 2.73Å; E854-R872 PolarHBondContact OE2-NE 3.29Å
855D79.8Confident85.2Confident67 Ų6790.7 Ų90.736%0.35844%0.437SS..EExtended strand (participates in β ladder)trans-113.669.4-176.1-111-25.7000111.2A853 K857 K870A853-D855 VanDerWaalsContact C-N 3.29Å; A853-D855 PolarHBondContact O-N 3.18Å; D855-K857 VanDerWaalsContact CG-NZ 3.32Å; D855-K857 IonicContact OD1-NZ 2.76Å; D855-K857 PolarHBondContact OD1-NZ 2.8Å; D855-K857 IonicContact OD2-NZ 2.73Å; D855-K870 HydrophobicContact CB-CB 3.7Å; D855-K870 HydrophobicContact CB-CD 4.31Å; D855-K870 HydrophobicContact CB-CG 4.45Å; D855-K870 PolarHBondContact O-N 2.84Å
856C89.8Confident85.4Confident1 Ų182 Ų821%0.00740%0.404CS..EExtended strand (participates in β ladder)trans-82.4138.8159.7-71.30000109.7E840 L843 R844 V868E840-C856 VanDerWaalsContact CG-C 3.49Å; E840-C856 HydrophobicContact CG-CB 3.67Å; E840-C856 WeakPolarHBondContact CG-O 3.48Å; L843-C856 HydrophobicContact CB-CB 4.37Å; R844-C856 WeakPolarHBondContact CA-SG 3.49Å; R844-C856 HydrophobicContact CB-CB 4.24Å; R844-C856 PolarHBondContact N-SG 3.34Å; C856-V868 CarbonylContact C-O 3.57Å; C856-V868 WeakPolarHBondContact CA-O 3.14Å
857K91.4Very high85.7Confident101 Ų10174.4 Ų74.444%0.43938%0.376SS..EExtended strand (participates in β ladder)trans-143.6143.9170.8-62.1-168.9175.184.20110.1D855 G867 V868D855-K857 VanDerWaalsContact CG-NZ 3.32Å; D855-K857 IonicContact OD1-NZ 2.76Å; D855-K857 PolarHBondContact OD1-NZ 2.8Å; D855-K857 IonicContact OD2-NZ 2.73Å; K857-G867 WeakPolarHBondContact O-CA 3.45Å; K857-V868 PolarHBondContact N-O 3.39Å; K857-V868 PolarHBondContact O-N 2.84Å
858V93.3Very high85.9Confident47 Ų4773.7 Ų73.729%0.28538%0.375SS..EExtended strand (participates in β ladder)trans-109.7115.3169.4178.90000108.4L834 E840 L843L834-V858 HydrophobicContact CD1-CG1 4.28Å; L834-V858 HydrophobicContact CD1-CG2 4.17Å; E840-V858 HydrophobicContact CB-CG2 4.37Å; L843-V858 HydrophobicContact CD1-CG2 3.73Å
859I91.9Very high86.2Confident73 Ų7369 Ų6937%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-110.6162.517965174.9000110.2R865 C866 V868I859-R865 WeakPolarHBondContact O-CA 3.5Å; I859-C866 HydrophobicContact CD1-CB 4.45Å; I859-C866 HydrophobicContact CG1-CB 3.92Å; I859-C866 WeakPolarHBondContact CG1-O 3.37Å; I859-C866 PolarHBondContact N-O 3.45Å; I859-C866 PolarHBondContact O-N 2.74Å; I859-V868 HydrophobicContact CD1-CG2 3.76Å; I859-V868 HydrophobicContact CG1-CG2 4.15Å
860I91.9Very high86.7Confident132 Ų13265.4 Ų65.468%0.67733%0.327SS*.EExtended strand (participates in β ladder)trans-109.2123.7167.7-59.4176000107E864 R865I860-E864 CarbonylContact C-O 3.58Å; I860-E864 VanDerWaalsContact CA-O 3.31Å; I860-E864 WeakPolarHBondContact CA-O 3.45Å; I860-R865 HydrophobicContact CG1-CG 4.38Å
861C86.8Confident87.3Confident53 Ų5358.8 Ų58.836%0.35830%0.298SS..EExtended strand (participates in β ladder)trans-139.2126.6-176.2-174.50000108.5E863 E864C861-E863 VanDerWaalsContact C-N 3.3Å; C861-E863 PolarHBondContact O-N 2.85Å; C861-E864 PolarHBondContact N-O 2.84Å; C861-E864 PolarHBondContact O-N 2.95Å; C861-E864 VanDerWaalsContact O-N 3.12Å; C861-E864 VanDerWaalsContact O-O 3.13Å
862N83.6Confident87.6Confident148 Ų14861.1 Ų61.179%0.79130%0.302SS*.THydrogen-bonded Turntrans52.745.2-176.6-52.5-28.2000113.1E864N862-E864 PolarHBondContact O-N 2.89Å
863E89.4Confident87.5Confident197 Ų19762.2 Ų62.292%0.92130%0.304SS*.THydrogen-bonded Turntrans65.5-18.1-174.6-52.5-177.2172.400115.5C861C861-E863 VanDerWaalsContact C-N 3.3Å; C861-E863 PolarHBondContact O-N 2.85Å
864E92.1Very high86.8Confident68 Ų6867.3 Ų67.332%0.31834%0.338SS..EExtended strand (participates in β ladder)trans-77.6152.4172.3-59.2-172.916900112.7H832 N833 I860 C861 N862H832-E864 IonicContact ND1-OE2 3.85Å; N833-E864 VanDerWaalsContact CG-CD 3.5Å; N833-E864 PolarHBondContact ND2-OE1 2.83Å; N833-E864 PolarHBondContact ND2-OE2 2.57Å; N833-E864 PolarHBondContact OD1-OE1 2.87Å; I860-E864 CarbonylContact C-O 3.58Å; I860-E864 VanDerWaalsContact CA-O 3.31Å; I860-E864 WeakPolarHBondContact CA-O 3.45Å; C861-E864 PolarHBondContact N-O 2.84Å; C861-E864 PolarHBondContact O-N 2.95Å; C861-E864 VanDerWaalsContact O-N 3.12Å; C861-E864 VanDerWaalsContact O-O 3.13Å; N862-E864 PolarHBondContact O-N 2.89Å
865R94.6Very high86Confident78 Ų7865.8 Ų65.829%0.29435%0.345SS..EExtended strand (participates in β ladder)trans-82.7127.9163.4-73.6171.1141.6-132-1.4110.2N833 L834 P835 S836 V838 I859 I860N833-R865 PolarHBondContact N-O 3.43Å; N833-R865 VanDerWaalsContact N-O 3.08Å; L834-R865 HydrophobicContact CB-CB 3.9Å; L834-R865 PolarHBondContact N-O 3.27Å; L834-R865 WeakPolarHBondContact O-CB 3.12Å; L834-R865 WeakPolarHBondContact O-CD 3.49Å; P835-R865 PolarHBondContact O-NH1 3.4Å; S836-R865 VanDerWaalsContact O-CZ 3.25Å; S836-R865 PolarHBondContact O-NH1 3.15Å; S836-R865 PolarHBondContact O-NH2 2.73Å; V838-R865 PolarHBondContact O-NH1 2.88Å; I859-R865 WeakPolarHBondContact O-CA 3.5Å; I860-R865 HydrophobicContact CG1-CG 4.38Å
866C94.1Very high84.5Confident4 Ų468.1 Ų68.13%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-118.2135.8173.4-59.20000111I831 H832 I859I831-C866 CarbonylContact O-C 3.53Å; I831-C866 VanDerWaalsContact O-CA 3.24Å; I831-C866 WeakPolarHBondContact O-CA 3.49Å; H832-C866 PolarHBondContact ND1-SG 2.83Å; H832-C866 VanDerWaalsContact ND1-SG 3.39Å; I859-C866 HydrophobicContact CD1-CB 4.45Å; I859-C866 HydrophobicContact CG1-CB 3.92Å; I859-C866 WeakPolarHBondContact CG1-O 3.37Å; I859-C866 PolarHBondContact N-O 3.45Å; I859-C866 PolarHBondContact O-N 2.74Å
867G95.3Very high82.2Confident0 Ų075.6 Ų75.60%040%0.398CS..EExtended strand (participates in β ladder)trans-89.6131165.700000110Y830 I831 L834 K857Y830-G867 CarbonylContact C-O 3.6Å; Y830-G867 WeakPolarHBondContact CA-O 3.32Å; I831-G867 PolarHBondContact N-O 2.89Å; I831-G867 PolarHBondContact O-N 2.98Å; L834-G867 VanDerWaalsContact CD1-N 3.28Å; K857-G867 WeakPolarHBondContact O-CA 3.45Å
868V93.8Very high80Confident29 Ų2981.7 Ų81.718%0.17642%0.419CS..EExtended strand (participates in β ladder)trans-110.4128.4167-171.80000107.1V828 F829 Y830 C856 K857 I859V828-V868 HydrophobicContact CG1-CG1 3.95Å; F829-V868 WeakPolarHBondContact O-CA 3.3Å; Y830-V868 HydrophobicContact CD1-CG1 4.35Å; Y830-V868 HydrophobicContact CD1-CG2 3.88Å; Y830-V868 HydrophobicContact CE1-CB 4.4Å; Y830-V868 HydrophobicContact CE1-CG1 3.86Å; Y830-V868 HydrophobicContact CE1-CG2 3.77Å; C856-V868 CarbonylContact C-O 3.57Å; C856-V868 WeakPolarHBondContact CA-O 3.14Å; K857-V868 PolarHBondContact N-O 3.39Å; K857-V868 PolarHBondContact O-N 2.84Å; I859-V868 HydrophobicContact CD1-CG2 3.76Å; I859-V868 HydrophobicContact CG1-CG2 4.15Å
869I92.9Very high77.6Confident0 Ų087.2 Ų87.20%044%0.441CS..EExtended strand (participates in β ladder)trans-133.5109.7-177.3-59.5151.9000107.9V828 F829 I831 L843 F847 A853 I871V828-I869 CarbonylContact C-O 3.56Å; V828-I869 WeakPolarHBondContact CA-O 3.46Å; F829-I869 HydrophobicContact CB-CB 4.4Å; F829-I869 PolarHBondContact N-O 3.37Å; F829-I869 PolarHBondContact O-N 3.11Å; I831-I869 HydrophobicContact CD1-CD1 3.51Å; I831-I869 HydrophobicContact CG1-CD1 4.22Å; L843-I869 HydrophobicContact CB-CD1 4.4Å; L843-I869 HydrophobicContact CB-CG1 4.41Å; L843-I869 HydrophobicContact CD1-CD1 4.38Å; L843-I869 HydrophobicContact CD1-CG1 4.29Å; L843-I869 HydrophobicContact CD2-CD1 4.45Å; F847-I869 HydrophobicContact CB-CG2 4.09Å; F847-I869 HydrophobicContact CD1-CD1 4.29Å; F847-I869 HydrophobicContact CD2-CD1 3.47Å; F847-I869 VanDerWaalsContact CD2-CD1 3.47Å; F847-I869 HydrophobicContact CD2-CG1 4.5Å; F847-I869 HydrophobicContact CE1-CD1 4.31Å; F847-I869 HydrophobicContact CE2-CD1 3.5Å; F847-I869 HydrophobicContact CG-CD1 3.89Å; F847-I869 HydrophobicContact CG-CG2 4.23Å; F847-I869 HydrophobicContact CZ-CD1 3.95Å; A853-I869 HydrophobicContact CB-CG2 4.31Å; I869-I871 HydrophobicContact CG2-CD1 4.09Å; I869-I871 HydrophobicContact CG2-CG1 3.62Å
870K90.4Very high75.2Confident47 Ų4795.3 Ų95.320%0.20447%0.467CS..EExtended strand (participates in β ladder)trans-92.3112.3168.8-175.6178.9177.2179.50107.4E823 C826 V828 D855E823-K870 IonicContact OE1-NZ 2.64Å; C826-K870 HydrophobicContact CB-CD 4.21Å; C826-K870 HydrophobicContact CB-CG 3.83Å; C826-K870 WeakPolarHBondContact SG-CE 3.45Å; V828-K870 HydrophobicContact CG2-CB 4.25Å; V828-K870 HydrophobicContact CG2-CG 4.13Å; D855-K870 HydrophobicContact CB-CB 3.7Å; D855-K870 HydrophobicContact CB-CD 4.31Å; D855-K870 HydrophobicContact CB-CG 4.45Å; D855-K870 PolarHBondContact O-N 2.84Å
871I89Confident72.8Confident2 Ų295.8 Ų95.81%0.0146%0.464CS..EExtended strand (participates in β ladder)trans-102.6121.7174.5-49.2-170.6000107.7C826 Q827 F829 F847 F850 A853 I869 Q873C826-I871 CarbonylContact C-O 3.53Å; C826-I871 WeakPolarHBondContact CA-O 3.42Å; Q827-I871 PolarHBondContact N-O 2.83Å; Q827-I871 PolarHBondContact O-N 3.32Å; F829-I871 HydrophobicContact CD2-CD1 4.02Å; F829-I871 HydrophobicContact CD2-CG1 4.09Å; F829-I871 HydrophobicContact CE2-CB 4.45Å; F829-I871 HydrophobicContact CE2-CD1 3.67Å; F829-I871 HydrophobicContact CE2-CG1 3.96Å; F847-I871 HydrophobicContact CB-CD1 4.09Å; F847-I871 HydrophobicContact CD1-CD1 4.01Å; F847-I871 HydrophobicContact CG-CD1 4.5Å; F850-I871 HydrophobicContact CB-CD1 3.91Å; A853-I871 HydrophobicContact CB-CG1 4.29Å; I869-I871 HydrophobicContact CG2-CD1 4.09Å; I869-I871 HydrophobicContact CG2-CG1 3.62Å; I871-Q873 PolarHBondContact O-N 2.9Å
872R84.5Confident70.3Confident66 Ų66101.7 Ų101.725%0.24949%0.486CS..EExtended strand (participates in β ladder)trans-72.5119.3163.9-61.7-173.5178.8-85.518.5108D822 N852 E854D822-R872 PolarHBondContact O-NH1 2.84Å; D822-R872 IonicContact OD1-CZ 3.21Å; D822-R872 IonicContact OD1-NH1 3.59Å; D822-R872 PolarHBondContact OD1-NH1 3.43Å; D822-R872 IonicContact OD1-NH2 3.58Å; D822-R872 IonicContact OD2-CZ 3.43Å; D822-R872 IonicContact OD2-NH1 2.73Å; D822-R872 PolarHBondContact OD2-NH1 3.45Å; D822-R872 IonicContact OD2-NH2 3.97Å; D822-R872 PolarHBondContact OD2-NH2 3.46Å; N852-R872 HydrophobicContact CB-CB 4.31Å; N852-R872 PolarHBondContact N-O 3.29Å; N852-R872 PolarHBondContact O-N 3.05Å; E854-R872 WeakPolarHBondContact OE1-CD 3.48Å; E854-R872 IonicContact OE1-NE 3.95Å; E854-R872 VanDerWaalsContact OE2-CD 3.3Å; E854-R872 WeakPolarHBondContact OE2-CD 3.3Å; E854-R872 IonicContact OE2-CZ 3.66Å; E854-R872 IonicContact OE2-NE 2.73Å; E854-R872 PolarHBondContact OE2-NE 3.29Å
873Q69.4Low68.4Low106 Ų106106.9 Ų106.950%0.49550%0.495SS..PPolyproline II helixtrans-72.3129.8163.7-65.1-161.88.500107.6N825 I871 G875N825-Q873 PolarHBondContact O-N 3.36Å; N825-Q873 VanDerWaalsContact O-N 3.15Å; I871-Q873 PolarHBondContact O-N 2.9Å; Q873-G875 PolarHBondContact O-N 3.24Å
874P59.9Low66Low109 Ų109105 Ų10571%0.70849%0.486SS*.PPolyproline II helixtrans-60.8132.9169.626.7-32.7000108.4
875G53Low63.5Low53 Ų53107.5 Ų107.555%0.54650%0.5SS..PPolyproline II helixtrans-54.5150.2-179.900000111.9Q873 Q877Q873-G875 PolarHBondContact O-N 3.24Å; G875-Q877 PolarHBondContact O-N 2.97Å
876P46.7Very low61Low116 Ų116109.7 Ų109.775%0.75352%0.522SS*.  trans-66.794.6-163.426.1-35.9000113.2R878P876-R878 PolarHBondContact O-N 3.19Å
877Q41.6Very low58.4Low158 Ų158118.9 Ų118.974%0.73856%0.562SS**  trans-61.5121.4164-167.3-175.7-11.900108.4G875 H879G875-Q877 PolarHBondContact O-N 2.97Å; Q877-H879 PolarHBondContact O-N 3.34Å
878R46.7Very low56Low229 Ų229127.4 Ų127.486%0.86460%0.602SS**SBendtrans-76.853.1-166.4-69-169.3175.7-159.23.3114.7P876P876-R878 PolarHBondContact O-N 3.19Å
879H41.3Very low53.2Low163 Ų163134.4 Ų134.476%0.75564%0.638SS**SBendtrans-125.717.3172.6-53.7-63.5000113.4Q877Q877-H879 PolarHBondContact O-N 3.34Å
880R42.5Very low50.5Low244 Ų244139 Ų13992%0.92168%0.676SS**SBendtrans-145.234.6173.4-153.9-178.1178.4170.51.7113.4
881K42.3Very low48.1Very low142 Ų142142.4 Ų142.462%0.61770%0.703SS**  trans-143.346.2179.4-153.8178.8-177.7176.30114I885K881-I885 WeakPolarHBondContact O-CD1 3.18Å
882E34.1Very low46Very low176 Ų176149 Ų14982%0.82275%0.746SS**SBendtrans-105.7-40.9177.1-173.2167.8-15500111.4E884E882-E884 PolarHBondContact O-N 3.14Å
883R42.5Very low43.7Very low258 Ų258149.2 Ų149.297%0.97477%0.769SS**THydrogen-bonded Turntrans-73.817.9179.6-106.3-176.6-84.9-164.3-6.5115.9
884E39.2Very low42.4Very low158 Ų158152 Ų15274%0.73879%0.786SS**THydrogen-bonded Turntrans-147.536.3-175.1-153.6-179.3-141.300113.8E882E882-E884 PolarHBondContact O-N 3.14Å
885I39.5Very low41.8Very low120 Ų120157.3 Ų157.362%0.61579%0.792SS**  trans-115.5-16.9179.4-66-178.4000113.4K881 F887K881-I885 WeakPolarHBondContact O-CD1 3.18Å; I885-F887 VanDerWaalsContact C-N 3.28Å; I885-F887 PolarHBondContact O-N 2.94Å; I885-F887 VanDerWaalsContact O-N 3.15Å
886V43.4Very low41.4Very low124 Ų124165.4 Ų165.475%0.75281%0.806SS**THydrogen-bonded Turntrans-71.2-11.1-170-178.90000114.9
887F39.4Very low41.5Very low196 Ų196167.6 Ų167.686%0.8681%0.811SS**THydrogen-bonded Turntrans-126.156.2-176.5-75-74.5000115.1I885I885-F887 VanDerWaalsContact C-N 3.28Å; I885-F887 PolarHBondContact O-N 2.94Å; I885-F887 VanDerWaalsContact O-N 3.15Å
888Q44Very low41.4Very low179 Ų179166.2 Ų166.284%0.83681%0.813SS**  trans-135.185.1156.5-75.4-165.151.400112
889N35.8Very low41.5Very low176 Ų176167 Ų16794%0.94182%0.816SS**  trans-146.574.5165.5-90.9-43.4000110.1
890A34.7Very low41.8Very low96 Ų96166.3 Ų166.379%0.79381%0.811SS**  trans-152.8146171.400000110.7
891P40.2Very low42.2Very low120 Ų120163.6 Ų163.678%0.77980%0.801SS**  trans-78.1162.2-167.230.3-36.1000115G893P891-G893 PolarHBondContact O-N 3.14Å; P891-G893 VanDerWaalsContact O-N 3.1Å
892P46.1Very low42.4Very low141 Ų141167.4 Ų167.492%0.91681%0.813SS**  trans-73.3101.5-168.628.2-35.8000114.4
893G35.9Very low43.6Very low70 Ų70165 Ų16572%0.72280%0.804SS**PPolyproline II helixtrans-86.7137172.300000114.4P891 R895P891-G893 PolarHBondContact O-N 3.14Å; P891-G893 VanDerWaalsContact O-N 3.1Å; G893-R895 PolarHBondContact O-N 3.31Å
894L40.8Very low44.1Very low165 Ų165157 Ų15786%0.86478%0.781SS**PPolyproline II helixtrans-59125.5-173.9-169.272.8000114.1R896L894-R896 PolarHBondContact O-N 2.97Å
895R48.4Very low44.9Very low219 Ų219155.9 Ų155.983%0.82678%0.779SS**PPolyproline II helixtrans-64.9127177.9-69.1-163.8-73.1-173.9-5.5112.8G893G893-R895 PolarHBondContact O-N 3.31Å
896R43.6Very low45.7Very low224 Ų224158.2 Ų158.285%0.84579%0.793SS**  trans-119.8119.8153.5-70.7-169.5-179.8-136.31.1109.4L894 T898L894-R896 PolarHBondContact O-N 2.97Å; R896-T898 PolarHBondContact O-N 2.82Å
897L49.7Very low46.1Very low162 Ų162161 Ų16185%0.84880%0.798SS**  trans-82.293.2-179.7-71.6105.5000111.6
898T40.3Very low46.6Very low128 Ų128155.9 Ų155.979%0.78579%0.792SS**  trans-94.2129.8156.245.70000109.4R896 K900R896-T898 PolarHBondContact O-N 2.82Å; T898-K900 PolarHBondContact O-N 3.15Å
899R48.9Very low47.1Very low245 Ų245150.3 Ų150.393%0.92578%0.782SS**  trans-78.583.8-172.7-172.8-179.8-178.1179.21.8110.8
900K46.4Very low48Very low150 Ų150148.6 Ų148.665%0.65278%0.781SS**  trans-52.6138.9173.4-152.7-177.1-171.1-1590109.8T898 D904T898-K900 PolarHBondContact O-N 3.15Å; K900-D904 WeakPolarHBondContact CE-OD2 3.49Å; K900-D904 WeakPolarHBondContact CG-OD2 3.06Å
901R50.1Low49.1Very low186 Ų186146.5 Ų146.570%0.70277%0.768SS**  trans-101.5151.7-177.4-66.7-173.8-64.7175.51110.1I903R901-I903 PolarHBondContact O-N 3.35Å
902Y48.2Very low50.1Low222 Ų222146.9 Ų146.987%0.87177%0.771SS**THydrogen-bonded Turntrans-73.249.1-179.9-84-92.4000113.3L905Y902-L905 HydrophobicContact CD1-CD1 4.34Å
903I58.7Low50.6Low126 Ų126147.1 Ų147.165%0.64677%0.769SS**THydrogen-bonded Turntrans-124-32.7175.5-65.1176.4000109.5R901 L905R901-I903 PolarHBondContact O-N 3.35Å; I903-L905 PolarHBondContact O-N 2.81Å
904D53.3Low51.9Low90 Ų90152 Ų15248%0.48177%0.771SS.*THydrogen-bonded Turntrans-83.543.1-176.3-24.9-33.5000112.6K900K900-D904 WeakPolarHBondContact CE-OD2 3.49Å; K900-D904 WeakPolarHBondContact CG-OD2 3.06Å
905L54.8Low53.4Low134 Ų134146.7 Ų146.770%0.70275%0.748SS**THydrogen-bonded Turntrans-137.5-3.3-177.2-79.9175.5000114.7Y902 I903 E907Y902-L905 HydrophobicContact CD1-CD1 4.34Å; I903-L905 PolarHBondContact O-N 2.81Å; L905-E907 VanDerWaalsContact C-N 3.33Å
906D56.4Low54.7Low169 Ų169142.1 Ų142.190%0.90473%0.734SS**  trans-94.216.1-176.5-12415000112.9
907E52.7Low56.4Low183 Ų183136.6 Ų136.686%0.85571%0.713SS**SBendtrans-105.9101.5-175.7-161.6161.5-13500112L905L905-E907 VanDerWaalsContact C-N 3.33Å
908A50.4Low57.9Low89 Ų89134.3 Ų134.374%0.73670%0.702SS**  trans39.888.1155.500000118.4
909G53.5Low60Low62 Ų62132.7 Ų132.764%0.63970%0.702SS**SBendtrans-59.9152135.200000109.5G911G909-G911 PolarHBondContact O-N 3.19Å
910P55.9Low62Low140 Ų140123.9 Ų123.991%0.90967%0.673SS**  trans-57.1107.4-178.6-24.534.4000110.9
911G56.9Low64Low51 Ų51121.3 Ų121.353%0.52667%0.666SS.*  trans-64.5160.5174.500000110.5G909 V913G909-G911 PolarHBondContact O-N 3.19Å; G911-V913 PolarHBondContact O-N 2.64Å
912P60.7Low66Low128 Ų128119.9 Ų119.983%0.83167%0.665SS**  trans-48128.5169.5-25.234.1000109.2K914P912-K914 VanDerWaalsContact C-N 3.34Å; P912-K914 PolarHBondContact O-N 3.13Å
913V56.1Low68.2Low147 Ų147113.4 Ų113.489%0.89165%0.646SS**  trans-62.5100.2-177.1-1800000107.2G911 S915G911-V913 PolarHBondContact O-N 2.64Å; V913-S915 PolarHBondContact O-N 3.17Å
914K63.7Low69.8Low172 Ų172110.1 Ų110.175%0.74863%0.632SS**  trans-53.8129.6-178-69-174.9179.6-178.70108.2P912 D918P912-K914 VanDerWaalsContact C-N 3.34Å; P912-K914 PolarHBondContact O-N 3.13Å; K914-D918 WeakPolarHBondContact CA-OD2 3.31Å; K914-D918 HydrophobicContact CB-CB 4.31Å
915S72.8Confident71.8Confident54 Ų54108.9 Ų108.938%0.37863%0.625SS.*  trans-57.8146.2-179.1-1720000108.9V913 Y917 D918V913-S915 PolarHBondContact O-N 3.17Å; S915-Y917 PolarHBondContact O-N 3.39Å; S915-Y917 VanDerWaalsContact OG-CD2 3.3Å; S915-Y917 WeakPolarHBondContact OG-CD2 3.44Å; S915-D918 PolarHBondContact N-OD2 2.84Å; S915-D918 WeakPolarHBondContact O-CB 3.44Å; S915-D918 PolarHBondContact O-N 3.45Å
916K75.6Confident73.6Confident123 Ų123106.1 Ų106.154%0.53561%0.61SS.*THydrogen-bonded Turntrans-56.5-18.6175.874.2179.8-170.369.60112.5L920 E928K916-L920 WeakPolarHBondContact O-CG 3.24Å; K916-E928 IonicContact NZ-OE1 2.83Å; K916-E928 PolarHBondContact NZ-OE1 2.86Å; K916-E928 IonicContact NZ-OE2 2.74Å; K916-E928 PolarHBondContact NZ-OE2 2.8Å
917Y79.7Confident75.2Confident107 Ų107103.4 Ų103.442%0.4259%0.591SS.*THydrogen-bonded Turntrans-83.1-25.6176.3-55.6-60.7000114.1S915 A919 L920 L925 E928S915-Y917 PolarHBondContact O-N 3.39Å; S915-Y917 VanDerWaalsContact OG-CD2 3.3Å; S915-Y917 WeakPolarHBondContact OG-CD2 3.44Å; Y917-A919 PolarHBondContact O-N 2.96Å; Y917-L920 HydrophobicContact CD1-CD1 4.16Å; Y917-L920 PolarHBondContact O-N 3.07Å; Y917-L925 HydrophobicContact CD1-CD2 4.04Å; Y917-L925 HydrophobicContact CG-CD2 4.35Å; Y917-E928 WeakPolarHBondContact CE1-OE2 3.49Å
918D80.8Confident77.1Confident114 Ų11498.1 Ų98.161%0.6157%0.566SS**THydrogen-bonded Turntrans-68.4-17.3-178-68.2-30.3000113.6K914 S915K914-D918 WeakPolarHBondContact CA-OD2 3.31Å; K914-D918 HydrophobicContact CB-CB 4.31Å; S915-D918 PolarHBondContact N-OD2 2.84Å; S915-D918 WeakPolarHBondContact O-CB 3.44Å; S915-D918 PolarHBondContact O-N 3.45Å
919A84.4Confident79.1Confident94 Ų9496.5 Ų96.578%0.77755%0.553SS**THydrogen-bonded Turntrans-104.30.6-178.400000113.4Y917Y917-A919 PolarHBondContact O-N 2.96Å
920L90.5Very high80.8Confident60 Ų6098.6 Ų98.631%0.31455%0.546SS..SBendtrans-91.4148178.8-61.6-179.5000110.6K916 Y917 T924 L925K916-L920 WeakPolarHBondContact O-CG 3.24Å; Y917-L920 HydrophobicContact CD1-CD1 4.16Å; Y917-L920 PolarHBondContact O-N 3.07Å; L920-T924 HydrophobicContact CD1-CG2 4.28Å; L920-T924 HydrophobicContact CD2-CG2 4.08Å; L920-L925 HydrophobicContact CB-CD1 4.43Å; L920-L925 HydrophobicContact CB-CD2 4.24Å; L920-L925 HydrophobicContact CB-CG 3.86Å; L920-L925 HydrophobicContact CD1-CD2 4.17Å
921D89.9Confident82.4Confident96 Ų9699.9 Ų99.951%0.51354%0.537SS..  trans-74.6161168.864.46.3000111.3D923 T924 L925D921-D923 PolarHBondContact O-N 3.41Å; D921-T924 PolarHBondContact O-N 3.1Å; D921-T924 VanDerWaalsContact O-N 3.1Å; D921-T924 WeakPolarHBondContact OD1-CB 3.5Å; D921-T924 PolarHBondContact OD1-N 3.11Å; D921-T924 PolarHBondContact OD1-OG1 2.58Å; D921-L925 PolarHBondContact O-N 3.2Å
922F91.8Very high83.6Confident156 Ų156101 Ų10168%0.68454%0.537SS*.Hα-helixtrans-54.5-37.4-180-179.5-95000112L925 L926F922-L925 PolarHBondContact O-N 3.08Å; F922-L926 HydrophobicContact CE1-CD2 4.18Å; F922-L926 VanDerWaalsContact O-CB 3.24Å; F922-L926 WeakPolarHBondContact O-CB 3.37Å; F922-L926 PolarHBondContact O-N 3.19Å
923D94.3Very high84.7Confident86 Ų86101.8 Ų101.846%0.4653%0.533SS..Hα-helixtrans-65.2-40178.8-109.451.1000113.1D921 K927D921-D923 PolarHBondContact O-N 3.41Å; D923-K927 WeakPolarHBondContact O-CB 3.49Å; D923-K927 WeakPolarHBondContact O-CD 3.36Å; D923-K927 WeakPolarHBondContact O-CE 3.33Å; D923-K927 WeakPolarHBondContact O-CG 3.3Å; D923-K927 PolarHBondContact O-N 3.44Å; D923-K927 VanDerWaalsContact O-N 3.11Å; D923-K927 IonicContact OD2-NZ 3.14Å; D923-K927 PolarHBondContact OD2-NZ 3.45Å
924T92.2Very high85.7Confident58 Ų58102.6 Ų102.636%0.35653%0.527SS..Hα-helixtrans-77.6-36.7176.8-55.70000111.4L920 D921 K927 E928L920-T924 HydrophobicContact CD1-CG2 4.28Å; L920-T924 HydrophobicContact CD2-CG2 4.08Å; D921-T924 PolarHBondContact O-N 3.1Å; D921-T924 VanDerWaalsContact O-N 3.1Å; D921-T924 WeakPolarHBondContact OD1-CB 3.5Å; D921-T924 PolarHBondContact OD1-N 3.11Å; D921-T924 PolarHBondContact OD1-OG1 2.58Å; T924-K927 PolarHBondContact O-N 3.47Å; T924-E928 WeakPolarHBondContact O-CB 3.46Å; T924-E928 PolarHBondContact O-N 3.4Å
925L94.3Very high85.3Confident63 Ų63108 Ų10833%0.3354%0.542SS..Hα-helixtrans-59-47.5170.9-76.9164.6000111.6Y917 L920 D921 F922 K927 E928 A929Y917-L925 HydrophobicContact CD1-CD2 4.04Å; Y917-L925 HydrophobicContact CG-CD2 4.35Å; L920-L925 HydrophobicContact CB-CD1 4.43Å; L920-L925 HydrophobicContact CB-CD2 4.24Å; L920-L925 HydrophobicContact CB-CG 3.86Å; L920-L925 HydrophobicContact CD1-CD2 4.17Å; D921-L925 PolarHBondContact O-N 3.2Å; F922-L925 PolarHBondContact O-N 3.08Å; L925-K927 VanDerWaalsContact C-N 3.34Å; L925-K927 PolarHBondContact O-N 3.34Å; L925-E928 PolarHBondContact O-N 3.07Å; L925-A929 WeakPolarHBondContact O-CB 3.37Å; L925-A929 PolarHBondContact O-N 3.26Å
926L93.4Very high86Confident77 Ų77110.7 Ų110.740%0.40355%0.551SS.*Hα-helixtrans-63.1-39.8177.6-176.260.1000111.6F922 Q930F922-L926 HydrophobicContact CE1-CD2 4.18Å; F922-L926 VanDerWaalsContact O-CB 3.24Å; F922-L926 WeakPolarHBondContact O-CB 3.37Å; F922-L926 PolarHBondContact O-N 3.19Å; L926-Q930 HydrophobicContact CD1-CG 4.46Å; L926-Q930 VanDerWaalsContact O-CB 3.32Å; L926-Q930 WeakPolarHBondContact O-CB 3.48Å; L926-Q930 WeakPolarHBondContact O-CG 3.28Å; L926-Q930 PolarHBondContact O-N 2.68Å
927K90.5Very high86.5Confident112 Ų112110 Ų11049%0.48755%0.552SS.*Hα-helixtrans-67.8-38.8174.6-72.6160.2-163.1142.30112.6D923 T924 L925 K931D923-K927 WeakPolarHBondContact O-CB 3.49Å; D923-K927 WeakPolarHBondContact O-CD 3.36Å; D923-K927 WeakPolarHBondContact O-CE 3.33Å; D923-K927 WeakPolarHBondContact O-CG 3.3Å; D923-K927 PolarHBondContact O-N 3.44Å; D923-K927 VanDerWaalsContact O-N 3.11Å; D923-K927 IonicContact OD2-NZ 3.14Å; D923-K927 PolarHBondContact OD2-NZ 3.45Å; T924-K927 PolarHBondContact O-N 3.47Å; L925-K927 VanDerWaalsContact C-N 3.34Å; L925-K927 PolarHBondContact O-N 3.34Å; K927-K931 WeakPolarHBondContact O-CB 3.36Å; K927-K931 PolarHBondContact O-N 3.04Å
928E92.2Very high86.9Confident71 Ų71110.2 Ų110.233%0.33256%0.559SS.*Hα-helixtrans-68.6-42.6176.4-165.7171179.200110.8K916 Y917 T924 L925 K931 S932K916-E928 IonicContact NZ-OE1 2.83Å; K916-E928 PolarHBondContact NZ-OE1 2.86Å; K916-E928 IonicContact NZ-OE2 2.74Å; K916-E928 PolarHBondContact NZ-OE2 2.8Å; Y917-E928 WeakPolarHBondContact CE1-OE2 3.49Å; T924-E928 WeakPolarHBondContact O-CB 3.46Å; T924-E928 PolarHBondContact O-N 3.4Å; L925-E928 PolarHBondContact O-N 3.07Å; E928-K931 CarbonylContact O-C 3.48Å; E928-K931 PolarHBondContact O-N 3.37Å; E928-S932 PolarHBondContact O-N 3.32Å; E928-S932 PolarHBondContact O-OG 3.3Å
929A92.3Very high87.2Confident56 Ų56109.9 Ų109.946%0.46356%0.556SS.*Hα-helixtrans-63.9-43.9175.500000113L925 K931 S932 L933L925-A929 WeakPolarHBondContact O-CB 3.37Å; L925-A929 PolarHBondContact O-N 3.26Å; A929-K931 VanDerWaalsContact C-N 3.28Å; A929-K931 PolarHBondContact O-N 3.39Å; A929-S932 WeakPolarHBondContact CA-OG 3.36Å; A929-S932 PolarHBondContact O-N 3.38Å; A929-S932 PolarHBondContact O-OG 2.6Å; A929-L933 PolarHBondContact O-N 2.74Å; A929-L933 VanDerWaalsContact O-N 3.1Å
930Q90Very high87.4Confident106 Ų106110.9 Ų110.950%0.49554%0.542SS..Hα-helixtrans-61.8-38.1172.7-75.8173.6-1.400111.4L926 L933 H934L926-Q930 HydrophobicContact CD1-CG 4.46Å; L926-Q930 VanDerWaalsContact O-CB 3.32Å; L926-Q930 WeakPolarHBondContact O-CB 3.48Å; L926-Q930 WeakPolarHBondContact O-CG 3.28Å; L926-Q930 PolarHBondContact O-N 2.68Å; Q930-L933 PolarHBondContact O-N 3.35Å; Q930-H934 PolarHBondContact O-ND1 2.98Å
931K87.6Confident87.2Confident166 Ų166114.3 Ų114.372%0.72256%0.557SS**Hα-helixtrans-73.7-30.9178.9-172.4176.3-179.9-178.10113.2K927 E928 A929K927-K931 WeakPolarHBondContact O-CB 3.36Å; K927-K931 PolarHBondContact O-N 3.04Å; E928-K931 CarbonylContact O-C 3.48Å; E928-K931 PolarHBondContact O-N 3.37Å; A929-K931 VanDerWaalsContact C-N 3.28Å; A929-K931 PolarHBondContact O-N 3.39Å
932S83.5Confident87Confident75 Ų75115.6 Ų115.652%0.52456%0.56SS.*Hα-helixtrans-73.1-28.7171.755.60000112.8E928 A929 H934 R935E928-S932 PolarHBondContact O-N 3.32Å; E928-S932 PolarHBondContact O-OG 3.3Å; A929-S932 WeakPolarHBondContact CA-OG 3.36Å; A929-S932 PolarHBondContact O-N 3.38Å; A929-S932 PolarHBondContact O-OG 2.6Å; S932-H934 PolarHBondContact O-N 2.72Å; S932-R935 PolarHBondContact O-N 3.12Å
933L83.1Confident86.7Confident145 Ų145112.5 Ų112.576%0.75955%0.551SS**THydrogen-bonded Turntrans-71.6-13176.6-169.262000113.6A929 Q930A929-L933 PolarHBondContact O-N 2.74Å; A929-L933 VanDerWaalsContact O-N 3.1Å; Q930-L933 PolarHBondContact O-N 3.35Å
934H77Confident86Confident164 Ų164114.8 Ų114.876%0.75956%0.559SS**THydrogen-bonded Turntrans-109.127.9177.9-66.976.4000112.3Q930 S932Q930-H934 PolarHBondContact O-ND1 2.98Å; S932-H934 PolarHBondContact O-N 2.72Å
935R56.2Low85.5Confident284 Ų284119.9 Ų119.9100%1.07258%0.577SS**  trans-134.70-174.8-167.1-177.8-168.3-144.51.3112.3S932S932-R935 PolarHBondContact O-N 3.12Å

Retrieved 935 of 935 residues in 209 ms (Link to these results)