A0A2K5LP06_CERAT Loading...

KLF transcription factor 8

AlphaFold DB , UniProt , Accession A0A2K5LP06, Species CERAT (Cercocebus atys, Sooty mangabey), Gene KLF8, Length 359 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
1M32.7Very low41.9Very low244 Ų244100.9 Ų100.9100%1.20252%0.524SS*.  0103.80-166165.2157.800105.6D3M1-D3 PolarHBondContact O-N 3.44Å
2V34.8Very low41.8Very low107 Ų10799.8 Ų99.865%0.64851%0.514SS*.  trans-73.9126-176.2-178.30000107.5M4 L7V2-M4 PolarHBondContact O-N 3.37Å; V2-M4 VanDerWaalsContact O-N 3.08Å; V2-L7 HydrophobicContact CG1-CD1 3.64Å; V2-L7 HydrophobicContact CG1-CG 4.14Å
3D36.6Very low41.7Very low94 Ų9498.9 Ų98.950%0.50352%0.516SS..  trans-64.3106.3174.4-168.3-63.5000108.8M1 D5 Q6 L7M1-D3 PolarHBondContact O-N 3.44Å; D3-D5 VanDerWaalsContact C-N 3.31Å; D3-D5 PolarHBondContact OD1-N 3.43Å; D3-Q6 HydrophobicContact CB-CB 4.09Å; D3-Q6 VanDerWaalsContact O-CB 3.25Å; D3-Q6 WeakPolarHBondContact O-CB 3.39Å; D3-Q6 PolarHBondContact O-N 3.31Å; D3-Q6 VanDerWaalsContact O-N 3.17Å; D3-Q6 PolarHBondContact OD1-N 2.74Å; D3-Q6 VanDerWaalsContact OD1-N 3.11Å; D3-L7 PolarHBondContact O-N 3.42Å
4M46.5Very low41.3Very low100 Ų100101.4 Ų101.449%0.49352%0.524SS..Hα-helixtrans-76.3-18.4-172.1-79.4-74.3-167.300112.9V2 Q6 L7 I8 I331V2-M4 PolarHBondContact O-N 3.37Å; V2-M4 VanDerWaalsContact O-N 3.08Å; M4-Q6 VanDerWaalsContact C-N 3.28Å; M4-L7 HydrophobicContact CE-CD1 4.17Å; M4-L7 PolarHBondContact O-N 3.16Å; M4-L7 HydrophobicContact SD-CB 4.33Å; M4-L7 HydrophobicContact SD-CD1 3.34Å; M4-L7 WeakPolarHBondContact SD-CD1 3.38Å; M4-L7 HydrophobicContact SD-CG 4.45Å; M4-I8 PolarHBondContact O-N 3.05Å; M4-I8 VanDerWaalsContact O-N 3.16Å; M4-I331 HydrophobicContact CB-CD1 4.36Å
5D42.8Very low41.3Very low103 Ų10398.3 Ų98.355%0.55151%0.508SS*.Hα-helixtrans-70.2-32.8168.4-73.2-35.5000109.9D3 I8 N9D3-D5 VanDerWaalsContact C-N 3.31Å; D3-D5 PolarHBondContact OD1-N 3.43Å; D5-I8 PolarHBondContact O-N 3.37Å; D5-N9 VanDerWaalsContact O-CB 3.27Å; D5-N9 WeakPolarHBondContact O-CB 3.49Å; D5-N9 VanDerWaalsContact O-CG 3.23Å; D5-N9 PolarHBondContact O-N 3.3Å; D5-N9 PolarHBondContact O-ND2 3.47Å; D5-N9 VanDerWaalsContact O-ND2 3.16Å
6Q42.6Very low40.9Very low118 Ų118100.3 Ų100.355%0.55152%0.52SS*.Hα-helixtrans-68.7-31.1170.9-149.4144.445.300112.9D3 M4 N10D3-Q6 HydrophobicContact CB-CB 4.09Å; D3-Q6 VanDerWaalsContact O-CB 3.25Å; D3-Q6 WeakPolarHBondContact O-CB 3.39Å; D3-Q6 PolarHBondContact O-N 3.31Å; D3-Q6 VanDerWaalsContact O-N 3.17Å; D3-Q6 PolarHBondContact OD1-N 2.74Å; D3-Q6 VanDerWaalsContact OD1-N 3.11Å; M4-Q6 VanDerWaalsContact C-N 3.28Å; Q6-N10 WeakPolarHBondContact O-CB 3.37Å; Q6-N10 PolarHBondContact O-N 2.96Å; Q6-N10 PolarHBondContact O-ND2 2.88Å; Q6-N10 VanDerWaalsContact O-ND2 3.1Å; Q6-N10 PolarHBondContact O-OD1 2.79Å
7L49.3Very low40.5Very low73 Ų7399.6 Ų99.638%0.38253%0.526SS..Hα-helixtrans-70.4-40.1173.7-87.7163.7000112.8V2 D3 M4 N10 L11V2-L7 HydrophobicContact CG1-CD1 3.64Å; V2-L7 HydrophobicContact CG1-CG 4.14Å; D3-L7 PolarHBondContact O-N 3.42Å; M4-L7 HydrophobicContact CE-CD1 4.17Å; M4-L7 PolarHBondContact O-N 3.16Å; M4-L7 HydrophobicContact SD-CB 4.33Å; M4-L7 HydrophobicContact SD-CD1 3.34Å; M4-L7 WeakPolarHBondContact SD-CD1 3.38Å; M4-L7 HydrophobicContact SD-CG 4.45Å; L7-N10 PolarHBondContact O-N 3.28Å; L7-L11 WeakPolarHBondContact O-CB 3.45Å; L7-L11 PolarHBondContact O-N 3.39Å
8I52.3Low40.3Very low36 Ų36103.2 Ų103.219%0.18554%0.539CS..Hα-helixtrans-67.9-44174.9-65.1171.4000110.2M4 D5 N10 L11 E12 T322 I331M4-I8 PolarHBondContact O-N 3.05Å; M4-I8 VanDerWaalsContact O-N 3.16Å; D5-I8 PolarHBondContact O-N 3.37Å; I8-N10 VanDerWaalsContact C-N 3.33Å; I8-N10 PolarHBondContact O-N 3.2Å; I8-L11 PolarHBondContact O-N 2.91Å; I8-E12 PolarHBondContact O-N 3.34Å; I8-T322 HydrophobicContact CG2-CG2 4.45Å; I8-I331 HydrophobicContact CD1-CD1 3.96Å
9N37Very low40Very low86 Ų86101.9 Ų101.946%0.4655%0.554SS.*Hα-helixtrans-63.8-37.2174.4-74.9-28.8000111.6D5 E12 V13D5-N9 VanDerWaalsContact O-CB 3.27Å; D5-N9 WeakPolarHBondContact O-CB 3.49Å; D5-N9 VanDerWaalsContact O-CG 3.23Å; D5-N9 PolarHBondContact O-N 3.3Å; D5-N9 PolarHBondContact O-ND2 3.47Å; D5-N9 VanDerWaalsContact O-ND2 3.16Å; N9-E12 PolarHBondContact O-N 3.17Å; N9-V13 VanDerWaalsContact O-CB 3.3Å; N9-V13 WeakPolarHBondContact O-CB 3.25Å; N9-V13 WeakPolarHBondContact O-CG2 3.49Å; N9-V13 PolarHBondContact O-N 3.49Å
10N38Very low39.5Very low82 Ų8299.7 Ų99.744%0.43956%0.556SS.*Hα-helixtrans-70.1-35176.1-74.9-20.2000112.4Q6 L7 I8 V13 Q14Q6-N10 WeakPolarHBondContact O-CB 3.37Å; Q6-N10 PolarHBondContact O-N 2.96Å; Q6-N10 PolarHBondContact O-ND2 2.88Å; Q6-N10 VanDerWaalsContact O-ND2 3.1Å; Q6-N10 PolarHBondContact O-OD1 2.79Å; L7-N10 PolarHBondContact O-N 3.28Å; I8-N10 VanDerWaalsContact C-N 3.33Å; I8-N10 PolarHBondContact O-N 3.2Å; N10-V13 PolarHBondContact O-N 3.26Å; N10-Q14 VanDerWaalsContact O-CB 3.29Å; N10-Q14 WeakPolarHBondContact O-CB 3.25Å; N10-Q14 VanDerWaalsContact O-CG 3.31Å; N10-Q14 WeakPolarHBondContact O-CG 3.33Å; N10-Q14 PolarHBondContact O-N 3Å
11L48.5Very low39Very low67 Ų6799.8 Ų99.835%0.35156%0.563SS.*Hα-helixtrans-65.5-43.4169.7-93.3146.3000111.1L7 I8 Q14 L15L7-L11 WeakPolarHBondContact O-CB 3.45Å; L7-L11 PolarHBondContact O-N 3.39Å; I8-L11 PolarHBondContact O-N 2.91Å; L11-Q14 PolarHBondContact O-N 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 VanDerWaalsContact O-CD1 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 2.89Å
12E40.8Very low39.2Very low87 Ų8796.3 Ų96.341%0.40755%0.546SS..Hα-helixtrans-64.9-37.8174.3-80.5-178.4160.400112.2I8 N9 L15 N16I8-E12 PolarHBondContact O-N 3.34Å; N9-E12 PolarHBondContact O-N 3.17Å; E12-L15 PolarHBondContact O-N 3.27Å; E12-N16 VanDerWaalsContact O-CB 3.25Å; E12-N16 WeakPolarHBondContact O-CB 3.17Å; E12-N16 PolarHBondContact O-N 3.2Å; E12-N16 PolarHBondContact O-ND2 3.48Å
13V39.6Very low39.2Very low89 Ų8998.8 Ų98.854%0.53955%0.551SS.*Hα-helixtrans-70.6-41.5176.2169.40000111.6N9 N10 L15 N16 S17N9-V13 VanDerWaalsContact O-CB 3.3Å; N9-V13 WeakPolarHBondContact O-CB 3.25Å; N9-V13 WeakPolarHBondContact O-CG2 3.49Å; N9-V13 PolarHBondContact O-N 3.49Å; N10-V13 PolarHBondContact O-N 3.26Å; V13-L15 VanDerWaalsContact C-N 3.29Å; V13-L15 PolarHBondContact O-N 3.42Å; V13-N16 PolarHBondContact O-N 3.23Å; V13-S17 WeakPolarHBondContact O-CB 3.37Å; V13-S17 PolarHBondContact O-N 3.39Å; V13-S17 PolarHBondContact O-OG 3.47Å
14Q36Very low38.7Very low133 Ų13399.8 Ų99.862%0.62156%0.56SS**Hα-helixtrans-64.4-33.2174.6-80.8-179.3-25.100112.4N10 L11 S17N10-Q14 VanDerWaalsContact O-CB 3.29Å; N10-Q14 WeakPolarHBondContact O-CB 3.25Å; N10-Q14 VanDerWaalsContact O-CG 3.31Å; N10-Q14 WeakPolarHBondContact O-CG 3.33Å; N10-Q14 PolarHBondContact O-N 3Å; L11-Q14 PolarHBondContact O-N 3.3Å; Q14-S17 PolarHBondContact O-OG 2.84Å
15L42.7Very low37.8Very low55 Ų55104 Ų10429%0.28858%0.576SS.*Hα-helixtrans-81.6-23178.1-68.7167000113.3L11 E12 V13 Y304L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 VanDerWaalsContact O-CD1 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 2.89Å; E12-L15 PolarHBondContact O-N 3.27Å; V13-L15 VanDerWaalsContact C-N 3.29Å; V13-L15 PolarHBondContact O-N 3.42Å; L15-Y304 HydrophobicContact CD2-CD1 4.34Å; L15-Y304 HydrophobicContact CD2-CE1 3.87Å
16N34.5Very low37.1Very low130 Ų130108.7 Ų108.770%0.69559%0.591SS**Hα-helixtrans-93.9-19.2178-69.4-28.7000113.4E12 V13E12-N16 VanDerWaalsContact O-CB 3.25Å; E12-N16 WeakPolarHBondContact O-CB 3.17Å; E12-N16 PolarHBondContact O-N 3.2Å; E12-N16 PolarHBondContact O-ND2 3.48Å; V13-N16 PolarHBondContact O-N 3.23Å
17S33.9Very low36.4Very low90 Ų90111.9 Ų111.963%0.62961%0.606SS**Hα-helixtrans-78.5-18.2174.869.10000113.4V13 Q14 G19V13-S17 WeakPolarHBondContact O-CB 3.37Å; V13-S17 PolarHBondContact O-N 3.39Å; V13-S17 PolarHBondContact O-OG 3.47Å; Q14-S17 PolarHBondContact O-OG 2.84Å; S17-G19 PolarHBondContact O-N 3.4Å
18E36.2Very low35.3Very low163 Ų163114.5 Ų114.576%0.76263%0.625SS**  trans-79.936.3169.9-62-161.1142.700112.9G20E18-G20 PolarHBondContact O-N 3.26Å
19G35.4Very low34.2Very low79 Ų79119.6 Ų119.681%0.81466%0.658SS**  trans-74.97.1168.600000114.2S17S17-G19 PolarHBondContact O-N 3.4Å
20G30.4Very low33.7Very low58 Ų58120.6 Ų120.660%0.59867%0.672SS**SBendtrans-142.8120.8-17900000112.2E18E18-G20 PolarHBondContact O-N 3.26Å
21S29.2Very low33.1Very low102 Ų102122.5 Ų122.571%0.71369%0.691SS**  trans63.890.5163.6-164.10000117.2Q23S21-Q23 PolarHBondContact O-N 3.32Å; S21-Q23 WeakPolarHBondContact OG-CG 3.47Å
22M35.3Very low32.3Very low170 Ų170125.3 Ų125.384%0.83771%0.711SS**  trans-67.188.9151.1-82.7-169.97600108.7K292M22-K292 PolarHBondContact SD-NZ 3.27Å; M22-K292 VanDerWaalsContact SD-NZ 3.38Å
23Q34.8Very low31.7Very low159 Ų159131.6 Ų131.674%0.74373%0.731SS**  trans-121.6146160-75.9-86.23.200107.4S21S21-Q23 PolarHBondContact O-N 3.32Å; S21-Q23 WeakPolarHBondContact OG-CG 3.47Å
24V27.3Very low31.1Very low115 Ų115134.4 Ų134.470%0.69774%0.743SS**  trans85.484.9179.8-158.70000114.6
25F26.4Very low30.8Very low188 Ų188140.1 Ų140.183%0.82576%0.759SS**  -164.8101.8100.3-97-77.1000108.5
26K28.7Very low29.9Very low203 Ų203144.3 Ų144.388%0.88378%0.782SS**  trans-86.2114155.1-77.5-179.8176.7177.80106.2
27Q28.8Very low29.9Very low185 Ų185143.7 Ų143.786%0.86479%0.785SS**  trans-131.5128.9144.5-84.4-165.2-7.600108.7
28V26.2Very low29.7Very low127 Ų127144.2 Ų144.277%0.7779%0.789SS**  trans-71.9125.5179.1171.30000108.4
29T27.4Very low29.4Very low144 Ų144145.8 Ų145.888%0.88380%0.796SS**  trans-139.2103.1137.951.70000109
30S27.5Very low29.3Very low107 Ų107149.7 Ų149.775%0.74880%0.797SS**  trans-73.3120.1158.148.70000108.8
31S24.8Very low29.3Very low121 Ų121155.9 Ų155.985%0.84681%0.81SS**  -170.9125.1129.8-150.60000110.9
32V33Very low29.2Very low127 Ų127159.9 Ų159.977%0.7781%0.81SS**  trans-79136.7175.2174.80000109
33R26.5Very low28.8Very low218 Ų218162.1 Ų162.182%0.82381%0.81SS**  174.6132.4125.1-95167.4-166.41754.4112.7
34N28.3Very low28.7Very low149 Ų149159.5 Ų159.580%0.79781%0.809SS**  trans54.6107.7149.3-60.3-28.4000118.5
35R28.6Very low28.8Very low252 Ų252160.2 Ų160.295%0.95181%0.809SS**  trans-132.4133.5138.8-81.7-169.5175.7164.8-1.2110.2
36D25Very low28.7Very low143 Ų143158 Ų15877%0.76580%0.803SS**  trans-50.7151.6178.3-85.7-66.7000114.6S38D36-S38 PolarHBondContact O-N 3.43Å
37P34.2Very low28.7Very low117 Ų117154.5 Ų154.576%0.7680%0.799SS**SBendtrans-86.388.1175.934.2-29.8000110.6
38S29.4Very low28.6Very low102 Ų102148.7 Ų148.771%0.71378%0.778SS**  trans-15059.8171.457.30000113.4D36D36-S38 PolarHBondContact O-N 3.43Å
39E30.5Very low28.8Very low195 Ų195148.2 Ų148.291%0.91178%0.778SS**  trans-16867.4150.2-116.6-176.4164.300109.7
40I33.3Very low28.9Very low162 Ų162147.2 Ų147.283%0.83177%0.772SS**  trans-106.477.2165.9-54.4177.2000107.4
41E30.1Very low29Very low188 Ų188149.6 Ų149.688%0.87978%0.775SS**  trans-129.388148.6-81.5-159.9154.200108.2
42Y27.4Very low29.2Very low185 Ų185151 Ų15173%0.72577%0.773SS**  trans-128.888152.7-152.6-100.3000109.7S44Y42-S44 PolarHBondContact O-N 3.47Å; Y42-S44 VanDerWaalsContact O-N 3.09Å
43R27.4Very low29Very low218 Ų218151.6 Ų151.682%0.82377%0.771SS**  trans-45.5112.8166.4-118.1174175.6167.8-1.5109N45R43-N45 PolarHBondContact O-N 3.27Å
44S31.6Very low29.1Very low103 Ų103145.3 Ų145.372%0.7277%0.766SS**SBendtrans-71.665.2163.7-63.40000109.7Y42Y42-S44 PolarHBondContact O-N 3.47Å; Y42-S44 VanDerWaalsContact O-N 3.09Å
45N29.2Very low29.4Very low130 Ų130145.7 Ų145.770%0.69577%0.768SS**  trans-161.194.4168.8-96.1-12.2000108.6R43R43-N45 PolarHBondContact O-N 3.27Å
46M25.8Very low29.8Very low142 Ų142139.2 Ų139.270%0.776%0.758SS**  trans-114.275.8160.2-78.9-87.3-17900107.4S48M46-S48 PolarHBondContact O-N 3.19Å
47T27.9Very low30.1Very low130 Ų130139.8 Ų139.880%0.79876%0.758SS**PPolyproline II helixtrans-54.6118.7138.1-53.20000105.5
48S27.3Very low30.2Very low63 Ų63142.4 Ų142.444%0.44176%0.761SS.*PPolyproline II helixtrans-60.7133.6-178.5-60.20000109.6M46 T50M46-S48 PolarHBondContact O-N 3.19Å; S48-T50 PolarHBondContact O-N 2.93Å
49P29Very low30.1Very low117 Ų117143.9 Ų143.976%0.7676%0.761SS**PPolyproline II helixtrans-69125.4164.427.5-28.9000108.3
50T29.3Very low30.4Very low123 Ų123141.1 Ų141.176%0.75576%0.76SS**PPolyproline II helixtrans-71.7147.3166.937.70000111.1S48S48-T50 PolarHBondContact O-N 2.93Å
51L30.7Very low30.4Very low156 Ų156136.5 Ų136.582%0.81775%0.746SS**  trans85127.5165.8-53.3-173000115
52L28.3Very low30.6Very low152 Ų152135 Ų13580%0.79674%0.743SS**  cis-143.712416.1-66.3162.5000108.5A54L52-A54 VanDerWaalsContact C-N 3.33Å; L52-A54 PolarHBondContact O-N 3.24Å
53D29.7Very low30.8Very low139 Ų139135.4 Ų135.474%0.74375%0.749SS**  trans-74.393.5160.7-87.8-28000107.2N55D53-N55 PolarHBondContact O-N 3.26Å
54A27.6Very low31Very low86 Ų86132.3 Ų132.371%0.71175%0.748SS**  trans-67.8118.1160.400000108L52L52-A54 VanDerWaalsContact C-N 3.33Å; L52-A54 PolarHBondContact O-N 3.24Å
55N36.3Very low30.9Very low156 Ų156134.7 Ų134.783%0.83475%0.753SS**  trans-61.8139.5155.2-104.5-20.3000107.9D53D53-N55 PolarHBondContact O-N 3.26Å
56P36.5Very low30.9Very low116 Ų116136 Ų13675%0.75376%0.758SS**  -134.4138.8114.424.7-7.2000113.1
57M31.6Very low30.9Very low155 Ų155137.5 Ų137.576%0.76476%0.761SS**  trans1.6132.9154.7-63.917564.400120.1
58E35.8Very low30.9Very low172 Ų172138.7 Ų138.780%0.80476%0.761SS**  45.1110.5129.8-52.9-165.6136.800119.4
59N26.1Very low30.9Very low134 Ų134142.6 Ų142.672%0.71777%0.772SS**  -175.8108.1123-164.8-10.5000111.3A61N59-A61 PolarHBondContact O-N 2.99Å; N59-A61 PolarHBondContact OD1-N 2.99Å
60P37.5Very low31Very low137 Ų137142.3 Ų142.389%0.8977%0.77SS**  trans-95.568.817137.2-28.6000109.9
61A33.4Very low31.2Very low65 Ų65142.5 Ų142.554%0.53777%0.773SS.*  trans-152.381.6172.900000111.4N59N59-A61 PolarHBondContact O-N 2.99Å; N59-A61 PolarHBondContact OD1-N 2.99Å
62L34.4Very low31.3Very low157 Ų157144.4 Ų144.482%0.82278%0.778SS**  trans-177161.5146.7-105.4157.9000108.7
63F31.4Very low31.5Very low193 Ų193146.5 Ų146.585%0.84678%0.784SS**  trans88.558.5-176.1-47.1-69.8000115.1
64N31.4Very low31.7Very low152 Ų152148 Ų14881%0.81379%0.791SS**  trans-90.4155.7134.9-82.2-21.4000108.9
65D29.4Very low31.8Very low154 Ų154152.6 Ų152.682%0.82480%0.803SS**  trans96.279.1167.1-49.5-28.7000116.9
66I28.7Very low31.6Very low157 Ų157149.7 Ų149.781%0.80580%0.801SS**  trans-116.9100.5145.6-59.5176000107.1
67K26.1Very low31.4Very low173 Ų173149.2 Ų149.275%0.75280%0.8SS**  trans-79.3119.2168.5-171.8169174.6-162.40107.5E69K67-E69 IonicContact NZ-OE1 3.59Å
68I27.6Very low31.3Very low155 Ų155148.7 Ų148.780%0.79580%0.8SS**  trans-85.7113174.2-57.8173.2000106.9
69E28.1Very low31.1Very low146 Ų146149.7 Ų149.768%0.68280%0.802SS**PPolyproline II helixtrans-101.8140.7161.5-67.7-165.3171.500109.4K67K67-E69 IonicContact NZ-OE1 3.59Å
70P31.7Very low31.4Very low111 Ų111148.3 Ų148.372%0.72180%0.803SS**PPolyproline II helixtrans-76.5155.5-177.631.5-33.8000112.2
71P32.4Very low31.4Very low126 Ų126150 Ų15082%0.81880%0.804SS**PPolyproline II helixtrans-79.4124.6179.831.3-30.9000111
72E33.8Very low31.5Very low196 Ų196152.2 Ų152.292%0.91681%0.813SS**PPolyproline II helixtrans-77.6148.3169.4-70.7-118.6139.400111.7
73E32.1Very low31.3Very low197 Ų197153.4 Ų153.492%0.92181%0.814SS**PPolyproline II helixtrans-67.6155.3-175.9-78.6-174.8122.600114.6
74L33.5Very low31.4Very low171 Ų171150.9 Ų150.990%0.89581%0.814SS**PPolyproline II helixtrans-64.7140.4178.5-62.4166.9000113.3
75L29.1Very low31.6Very low181 Ų181151.6 Ų151.695%0.94881%0.813SS**  trans-134131.7148-93.9164.2000109.7
76A32.8Very low32.2Very low96 Ų96150 Ų15079%0.79381%0.811SS**  trans-88145.1-177.100000112
77S32.6Very low32.6Very low106 Ų106149.2 Ų149.274%0.74181%0.813SS**  trans-171.1135.8135.246.90000113.9
78D29.6Very low32.9Very low144 Ų144147.8 Ų147.877%0.7781%0.814SS**  trans73.8107.2139.6-62.5-28.5000124.8
79F31.1Very low33.3Very low192 Ų192148 Ų14884%0.84282%0.816SS**  49.1106.4120-98-91.8000120.1
80S32.6Very low33.5Very low106 Ų106146.4 Ų146.474%0.74182%0.82SS**  168.4132.999.7-74.50000112
81L37.9Very low33.8Very low171 Ų171150.4 Ų150.490%0.89583%0.827SS**  trans-67.9150.1166.7-90.2146.2000111.4
82P34.7Very low34Very low113 Ų113153.7 Ų153.773%0.73483%0.831SS**  trans-130.3126.9137.628.8-12.7000113.6
83Q31.4Very low34.1Very low182 Ų182153.5 Ų153.585%0.8583%0.827SS**  trans25.5121.6137.4-55.3-84.1-0.200118.5
84V33.6Very low34.5Very low139 Ų139150.1 Ų150.184%0.84282%0.822SS**PPolyproline II helixtrans-96.7122.3169.2176.60000108.7
85E35.7Very low34.5Very low168 Ų168152 Ų15279%0.78582%0.823SS**PPolyproline II helixtrans-99.3146.2164.3-75.5-92.1148.600109.4
86P41.9Very low34.9Very low120 Ų120147.5 Ų147.578%0.77981%0.812SS**PPolyproline II helixtrans-78.7134.5-170.330.6-33.7000112.9
87V35.8Very low35.3Very low141 Ų141148.2 Ų148.286%0.85581%0.808SS**PPolyproline II helixtrans-93.2121.8173.5-179.50000110
88D32Very low35.4Very low143 Ų143151.8 Ų151.877%0.76582%0.818SS**PPolyproline II helixtrans-74.6140.5176.4-169.72.8000112
89L36.5Very low35.8Very low159 Ų159153.2 Ų153.283%0.83282%0.82SS**  trans-96.3110.2-179.9-83.1157.1000109.2
90S33.3Very low36.1Very low112 Ų112149.5 Ų149.578%0.78382%0.816SS**  trans-141122.8164.2-77.50000112.3
91F37.3Very low36.2Very low195 Ų195149.4 Ų149.486%0.85582%0.821SS**  trans-66.1139.2176.5-85.5-102.8000112.7
92H37.1Very low36Very low195 Ų195146 Ų14690%0.90381%0.812SS**  trans-153.8119.2142.1-97.5-62.6000113.9
93K34.8Very low36Very low192 Ų192148.4 Ų148.484%0.83582%0.815SS**  trans6145.4151.8-151.3163.9-177173.90121.7
94P40.7Very low36.3Very low126 Ų126148 Ų14882%0.81882%0.818SS**  trans-89.5152.7-174.436.3-34.2000114.2
95K34.1Very low36.4Very low211 Ų211150.7 Ų150.792%0.91782%0.821SS**  trans-137.8120.1165.6-160.2172.3-174.6-1800110
96A36.8Very low36.4Very low86 Ų86146.9 Ų146.971%0.71182%0.818SS**  trans-99.4-176.7166.900000109.3
97P42.1Very low36.2Very low111 Ų111147.2 Ų147.272%0.72182%0.821SS**  cis-123.3163.3-39.531.5-15.1000111.3
98L34.1Very low36.3Very low181 Ų181147.3 Ų147.395%0.94882%0.821SS**  trans-131.9142.5163-75.7174.4000111.7
99Q38.9Very low36.5Very low175 Ų175151.5 Ų151.582%0.81883%0.826SS**PPolyproline II helixtrans-71.4166.7-162.5-72.3-79.1-43.900115.1
100P36.8Very low36.7Very low114 Ų114149.3 Ų149.374%0.7482%0.822SS**PPolyproline II helixtrans-82.4138.6-170.832.5-33.1000113
101A35.1Very low36.6Very low104 Ų104150.2 Ų150.286%0.8683%0.825SS**PPolyproline II helixtrans-98.8121.7168.800000110.2
102S33.3Very low36.4Very low99 Ų99150.3 Ų150.369%0.69283%0.825SS**PPolyproline II helixtrans-77.4163.1171-620000112.3
103M35.8Very low36.1Very low164 Ų164147 Ų14781%0.80882%0.821SS**  trans93.9108157.1-52.4-63.7160.700117
104L36Very low35.9Very low173 Ų173147.2 Ų147.291%0.90683%0.825SS**  -179.3117105.8-93.3155.9000110.8
105Q36.9Very low35.4Very low195 Ų195147 Ų14791%0.91183%0.826SS**  trans-67.1135.9166.1-119.697.53100109.8
106A35.9Very low35.3Very low88 Ų88141.2 Ų141.273%0.72782%0.818SS**  trans-117.1153.2167.100000110.7
107P37.4Very low34.9Very low128 Ų128143.3 Ų143.383%0.83182%0.824SS**PPolyproline II helixtrans-82.7146.8-155.5-7.525.5000114.4
108V37Very low34.3Very low143 Ų143147.3 Ų147.387%0.86783%0.833SS**PPolyproline II helixtrans-65.2129.7171.9178.10000110.5
109R37.1Very low33.9Very low231 Ų231145.2 Ų145.287%0.87283%0.828SS**PPolyproline II helixtrans-101.6135.9172-155.7177.6-149.2-121.65109.6
110P39.4Very low33.1Very low113 Ų113144.9 Ų144.973%0.73483%0.831SS**PPolyproline II helixtrans-77.4154.9179.730.1-33.3000112.7
111P33.1Very low32.6Very low131 Ų131145.6 Ų145.685%0.85183%0.833SS**PPolyproline II helixtrans-78.1150.2-179.331.3-33.6000113.2
112K32.3Very low32Very low197 Ų197146.7 Ų146.786%0.85783%0.828SS**PPolyproline II helixtrans-88.1144.4179.9-165.1175.6-176.5-179.30110.6
113P30.7Very low31.5Very low125 Ų125147.4 Ų147.481%0.81283%0.834SS**PPolyproline II helixtrans-73.2142.4-175.326.9-33.6000113.8
114Q30.1Very low31Very low197 Ų197146.1 Ų146.192%0.92184%0.835SS**PPolyproline II helixtrans-85.5140.2175.2-72.5176-21.800111.7
115S29.8Very low30.4Very low120 Ų120143.3 Ų143.384%0.83983%0.83SS**PPolyproline II helixtrans-92135.1173.752.30000111.9
116A32.3Very low29.8Very low91 Ų91140.9 Ų140.975%0.75283%0.829SS**PPolyproline II helixtrans-71.8152.1177.900000113.5
117P29.3Very low29.4Very low129 Ų129141.4 Ų141.484%0.83883%0.827SS**PPolyproline II helixtrans-84.5141173.632.9-30.9000112.1
118Q28.2Very low28.8Very low196 Ų196141.7 Ų141.792%0.91682%0.822SS**PPolyproline II helixtrans-82.7132174.9-59.1-17420.800110.8
119T25.9Very low28.4Very low137 Ų137142.6 Ų142.684%0.8482%0.818SS**PPolyproline II helixtrans-78.6124.3172.127.30000111.6
120L23.3Very low27.9Very low168 Ų168137 Ų13788%0.8882%0.815SS**PPolyproline II helixtrans-82.1118.1168.9-109152.5000109.6
121V25Very low27.6Very low129 Ų129138.7 Ų138.778%0.78282%0.823SS**PPolyproline II helixtrans-96.3125.3170.2-77.90000109.2
122V23.3Very low27.3Very low126 Ų126137.9 Ų137.976%0.76482%0.82SS**  trans-125.2117166.4173.60000107.5
123S23.3Very low27.1Very low115 Ų115132.9 Ų132.980%0.80482%0.816SS**  trans-91130.9175-47.50000109.3
124T24.8Very low27Very low136 Ų136134.7 Ų134.783%0.83482%0.819SS**  trans-129.4119.815650.60000109.7
125S23.8Very low26.8Very low114 Ų114132 Ų13280%0.79781%0.809SS**  trans-76.5135.1178.450.20000111.2
126T24.6Very low26.6Very low145 Ų145132.2 Ų132.289%0.8981%0.807SS**  trans-136.9133.3143.848.30000108.9
127S27.3Very low26.5Very low98 Ų98133.2 Ų133.269%0.68580%0.804SS**  trans-81.6131.2-176.6580000109.9
128D24.7Very low26.4Very low135 Ų135133.4 Ų133.472%0.72280%0.803SS**  156130.2105-81.5-47.6000113.5
129M28.5Very low26.3Very low162 Ų162129.3 Ų129.380%0.79879%0.787SS**  trans54.592.8145.9-65.4-72.8100.300119.4
130S27.3Very low26.5Very low114 Ų114127.7 Ų127.780%0.79778%0.777SS**  161.5122.398.647.70000112.8
131T31.6Very low26.6Very low147 Ų147126.1 Ų126.190%0.90278%0.777SS**  trans8.4103.5162.1-24.20000120.3
132S27.5Very low27Very low114 Ų114123.8 Ų123.880%0.79778%0.778SS**  trans-161.1148.2131.7-164.40000110.4N134S132-N134 PolarHBondContact O-N 3.4Å
133A28.7Very low27.3Very low92 Ų92120.4 Ų120.476%0.7676%0.761SS**  trans-57.7129.1-167.700000114.2I135A133-I135 PolarHBondContact O-N 3.3Å
134N27.7Very low27.9Very low164 Ų164119.8 Ų119.888%0.87775%0.752SS**  trans-79.3109.6171.5-78.5-56.1000110.4S132S132-N134 PolarHBondContact O-N 3.4Å
135I27.3Very low28.3Very low141 Ų141119.2 Ų119.272%0.72374%0.743SS**  trans-100.1122.1157.8-61.6165.1000106.6A133 T137A133-I135 PolarHBondContact O-N 3.3Å; I135-T137 PolarHBondContact O-N 2.83Å; I135-T137 VanDerWaalsContact O-N 3.1Å
136P24.8Very low28.9Very low123 Ų123118.5 Ų118.580%0.79973%0.734SS**  trans-71.4107.8178.927.4-31000109.9
137T28.9Very low29.4Very low112 Ų112115.4 Ų115.469%0.68772%0.718SS**  trans-100.5119.5170.5-56.80000109.1I135 L139I135-T137 PolarHBondContact O-N 2.83Å; I135-T137 VanDerWaalsContact O-N 3.1Å; T137-L139 PolarHBondContact O-N 3.45Å
138V27.3Very low29.8Very low134 Ų134115.4 Ų115.481%0.81272%0.718SS**  trans-73.2114.9173.5178.20000108.4
139L27.2Very low30.5Very low110 Ų110116.3 Ų116.358%0.57672%0.718SS**PPolyproline II helixtrans-89.5121177-70.1166.7000110.6T137T137-L139 PolarHBondContact O-N 3.45Å
140T29.5Very low30.9Very low102 Ų102113.8 Ų113.863%0.62672%0.716SS**PPolyproline II helixtrans-85.7159.6169.940.90000111.2G142 S143T140-G142 PolarHBondContact O-N 2.96Å; T140-S143 PolarHBondContact O-N 3.42Å; T140-S143 PolarHBondContact O-OG 3.36Å
141P25.7Very low31.3Very low136 Ų136114.1 Ų114.188%0.88371%0.713SS**THydrogen-bonded Turntrans-60.1126.9176.4-1628.6000110.4
142G33.9Very low31.7Very low79 Ų79110.7 Ų110.781%0.81471%0.708SS**THydrogen-bonded Turntrans108.18.8-17700000115.6T140T140-G142 PolarHBondContact O-N 2.96Å
143S29.1Very low32.4Very low56 Ų56109.3 Ų109.339%0.39271%0.711SS.*  trans-77.1125.2179-56.60000112.2T140T140-S143 PolarHBondContact O-N 3.42Å; T140-S143 PolarHBondContact O-OG 3.36Å
144V35.2Very low32.8Very low102 Ų102111.4 Ų111.462%0.61871%0.705SS**  trans-85.4114.8170.1-179.20000108.3T146V144-T146 HydrophobicContact CG1-CG2 4.09Å; V144-T146 PolarHBondContact O-N 3.29Å
145L33.2Very low33.1Very low124 Ų124112.3 Ų112.365%0.64970%0.704SS**  trans-83.1111.8167.9-71.6174.2000108.5
146T36.1Very low33.7Very low99 Ų99109.6 Ų109.661%0.60769%0.69SS**  trans-93.9113.4166.252.90000107.6V144 L157V144-T146 HydrophobicContact CG1-CG2 4.09Å; V144-T146 PolarHBondContact O-N 3.29Å; T146-L157 HydrophobicContact CG2-CD1 3.87Å
147S35.8Very low34.2Very low79 Ų79109.3 Ų109.355%0.55268%0.682SS**  trans-103.1126163.7-174.70000107.2
148S35.5Very low34.6Very low98 Ų98110 Ų11069%0.68568%0.677SS**  trans-107.6118.4170.959.80000107.9
149Q39.2Very low35Very low155 Ų155107.4 Ų107.472%0.72466%0.661SS**  trans-104.8121.6161.6-73.7-172.312.800107.6
150S37.7Very low35.4Very low108 Ų108108.5 Ų108.576%0.75567%0.666SS**BIsolated β-bridgetrans-93.4112.1172.3156.20000108.2
151T36.3Very low35.6Very low121 Ų121111.5 Ų111.574%0.74267%0.673SS**SBendtrans-137.7112.4160.3-190000107.6
152G38.2Very low35.9Very low76 Ų76111.1 Ų111.178%0.78467%0.668SS**SBendtrans67.749.817100000116.6Q154G152-Q154 PolarHBondContact O-N 2.74Å
153G43.3Very low35.9Very low84 Ų84114.2 Ų114.287%0.86666%0.664SS**SBendtrans75.411.6163.600000117
154Q36.5Very low35.9Very low137 Ų137116.6 Ų116.664%0.6468%0.678SS**  trans-116.6128170.4-68.2-177.51100110.1G152G152-Q154 PolarHBondContact O-N 2.74Å
155Q35.5Very low35.7Very low183 Ų183117.5 Ų117.586%0.85569%0.689SS**BIsolated β-bridgetrans-92.9117.3163.2-79.9-177.116.400108.4
156I38.3Very low35.5Very low84 Ų84117.3 Ų117.343%0.43169%0.693SS.*  trans-104.1112.7173.9-56.2176.6000107.6
157L35.2Very low35.2Very low117 Ų117117.8 Ų117.861%0.61370%0.7SS**  trans-91.3107.1176.6-160.776.7000109.3T146 V159T146-L157 HydrophobicContact CG2-CD1 3.87Å; L157-V159 HydrophobicContact CD2-CG2 4.35Å
158H37.6Very low34.9Very low127 Ų127121.1 Ų121.159%0.58871%0.711SS**  trans-89.7110.4170.4-77.1-86000109.8
159V35.5Very low34.6Very low79 Ų79122.6 Ų122.648%0.47972%0.718SS.*  trans-92.4106168.5-179.30000107.9L157L157-V159 HydrophobicContact CD2-CG2 4.35Å
160I36.4Very low34.3Very low133 Ų133122 Ų12268%0.68272%0.72SS**  trans-93.1108.3176.9-56.8174.1000108.2T162I160-T162 HydrophobicContact CG2-CG2 4.31Å; I160-T162 PolarHBondContact O-N 3.38Å
161H33.4Very low34.5Very low165 Ų165126.7 Ų126.776%0.76473%0.727SS**  trans-81109.6163.9-76-85.3000108.9I163H161-I163 PolarHBondContact O-N 3.49Å
162T32.5Very low34.8Very low127 Ų127129.1 Ų129.178%0.77973%0.732SS**  trans-79107.1167.753.50000109I160I160-T162 HydrophobicContact CG2-CG2 4.31Å; I160-T162 PolarHBondContact O-N 3.38Å
163I33.5Very low34.9Very low145 Ų145129.8 Ų129.874%0.74474%0.739SS**PPolyproline II helixtrans-81133.4167.5-55.6174.7000107.5H161 S165H161-I163 PolarHBondContact O-N 3.49Å; I163-S165 PolarHBondContact O-N 3.32Å
164P29.5Very low34.3Very low106 Ų106128.4 Ų128.469%0.68872%0.724SS**PPolyproline II helixtrans-68124.217027-31.1000110V166P164-V166 PolarHBondContact O-N 3.11Å
165S29.6Very low34Very low120 Ų120130.3 Ų130.384%0.83974%0.738SS**PPolyproline II helixtrans-59121172.1-44.60000110.3I163I163-S165 PolarHBondContact O-N 3.32Å
166V30.7Very low33.7Very low120 Ų120131.2 Ų131.273%0.72774%0.739SS**  trans-92.5108.2172.2-179.10000108.5P164 L168P164-V166 PolarHBondContact O-N 3.11Å; V166-L168 HydrophobicContact CG1-CD1 4.13Å
167S29.3Very low33.4Very low110 Ų110134 Ų13477%0.76976%0.76SS**  trans-81.1115.5167.1-75.30000109.5
168L29.5Very low33.1Very low148 Ų148135.2 Ų135.278%0.77577%0.766SS**PPolyproline II helixtrans-88.4131.9168.4-76.998.6000110.4V166V166-L168 HydrophobicContact CG1-CD1 4.13Å
169P28.8Very low32.6Very low130 Ų130134.5 Ų134.584%0.84477%0.773SS**PPolyproline II helixtrans-74.8130.3168.929.3-30.6000110.3
170N32.1Very low32.1Very low141 Ų141136.7 Ų136.775%0.75479%0.786SS**PPolyproline II helixtrans-102.2145170.4-160.5-1000110.2M172N170-M172 PolarHBondContact O-N 2.89Å
171K43.1Very low31.7Very low208 Ų208136.4 Ų136.490%0.90479%0.79SS**SBendtrans-7210.1-167-147175.2-178.3-178.60115.1
172M41.5Very low31.6Very low171 Ų171134.3 Ų134.384%0.84279%0.789SS**SBendtrans-149.176.2175.1-71.9-174-73.700110.7N170 G174N170-M172 PolarHBondContact O-N 2.89Å; M172-G174 PolarHBondContact O-N 3.21Å
173G40.3Very low31.5Very low90 Ų90136.7 Ų136.793%0.92879%0.791SS**SBendtrans45.332.814500000121.5
174G32.2Very low31.6Very low55 Ų55135 Ų13557%0.56779%0.792SS**  trans-150.7124.917500000113.5M172 K176M172-G174 PolarHBondContact O-N 3.21Å; G174-K176 PolarHBondContact O-N 3.1Å
175L29.2Very low31.6Very low177 Ų177137.1 Ų137.193%0.92780%0.797SS**  trans-76.2114.3175.2-74.7160.6000109.8
176K30.4Very low31.8Very low202 Ų202135.7 Ų135.788%0.87879%0.785SS**  trans-106.3113163.2-86.6-178.7175.81790108.9G174 I178G174-K176 PolarHBondContact O-N 3.1Å; K176-I178 PolarHBondContact O-N 3.09Å
177T30.9Very low32.2Very low143 Ų143136.2 Ų136.288%0.87778%0.781SS**  trans-71.51181675.60000108.9
178I28.4Very low32.2Very low142 Ų142136.2 Ų136.273%0.72878%0.776SS**  trans-97.8116.8169.3-57.5172.7000106.6K176 V180K176-I178 PolarHBondContact O-N 3.09Å; I178-V180 PolarHBondContact O-N 3Å; I178-V180 VanDerWaalsContact O-N 3.16Å
179P27.3Very low32.7Very low113 Ų113137.4 Ų137.473%0.73477%0.771SS**  trans-71.4110.1172.628.1-30.7000108.9V181P179-V181 PolarHBondContact O-N 3.45Å
180V25.7Very low32.8Very low124 Ų124136.1 Ų136.175%0.75276%0.761SS**  trans-80.898.1164.5-179.50000106.7I178 V182I178-V180 PolarHBondContact O-N 3Å; I178-V180 VanDerWaalsContact O-N 3.16Å; V180-V182 HydrophobicContact CG1-CG2 4.13Å; V180-V182 PolarHBondContact O-N 3.35Å
181V27.7Very low33.1Very low128 Ų128134.6 Ų134.678%0.77676%0.757SS**  trans-73.4104.5167.7178.20000106.9P179 Q183P179-V181 PolarHBondContact O-N 3.45Å; V181-Q183 PolarHBondContact O-N 2.86Å
182V31.3Very low32.6Very low121 Ų121131.7 Ų131.773%0.73375%0.751SS**  trans-78.5111.1169.3-176.30000107.2V180 S184V180-V182 HydrophobicContact CG1-CG2 4.13Å; V180-V182 PolarHBondContact O-N 3.35Å; V182-S184 PolarHBondContact O-N 3.09Å
183Q30.4Very low32.3Very low177 Ų177127.6 Ų127.683%0.82774%0.737SS**PPolyproline II helixtrans-63.3116.4171.8-163.5171.7-2.100108.3V181 L185V181-Q183 PolarHBondContact O-N 2.86Å; Q183-L185 PolarHBondContact O-N 2.75Å
184S35.8Very low32.4Very low108 Ų108128.3 Ų128.376%0.75573%0.734SS**PPolyproline II helixtrans-65120.9178.536.50000110.6V182V182-S184 PolarHBondContact O-N 3.09Å
185L29.7Very low32.7Very low151 Ų151132.8 Ų132.879%0.79175%0.745SS**PPolyproline II helixtrans-80131.1164.6-72.7165.9000108.4Q183 M187Q183-L185 PolarHBondContact O-N 2.75Å; L185-M187 PolarHBondContact O-N 2.7Å
186P34.2Very low33.4Very low91 Ų91128.5 Ų128.559%0.59174%0.744SS**PPolyproline II helixtrans-70.2130.2178.527.4-31.8000110.7I206P186-I206 HydrophobicContact CG-CD1 4.36Å
187M37.7Very low33.7Very low131 Ų131120.9 Ų120.965%0.64572%0.723SS**PPolyproline II helixtrans-74.3141.6174.1-70.7-74.8103.600110.6L185 Y189L185-M187 PolarHBondContact O-N 2.7Å; M187-Y189 HydrophobicContact CB-CE2 4.16Å; M187-Y189 WeakPolarHBondContact O-CD2 3.44Å; M187-Y189 VanDerWaalsContact O-CE2 3.25Å; M187-Y189 WeakPolarHBondContact O-CE2 3.48Å
188V30Very low33.9Very low110 Ų110120.6 Ų120.667%0.66772%0.723SS**PPolyproline II helixtrans-71.3128.3170.1178.30000108.2
189Y39.4Very low34.2Very low172 Ų172116.7 Ų116.768%0.67571%0.712SS**  trans-113.6128.4174.1-61.2-82.5000110.1M187M187-Y189 HydrophobicContact CB-CE2 4.16Å; M187-Y189 WeakPolarHBondContact O-CD2 3.44Å; M187-Y189 VanDerWaalsContact O-CE2 3.25Å; M187-Y189 WeakPolarHBondContact O-CE2 3.48Å
190T32.6Very low34.6Very low103 Ų103114.7 Ų114.763%0.63271%0.705SS**  trans-89.8124.7166.430.60000108.8
191T36.4Very low35Very low109 Ų109115.2 Ų115.267%0.66970%0.702SS**  trans-94.1122.316851.10000108.2
192L34.6Very low35.3Very low148 Ų148114.5 Ų114.578%0.77570%0.698SS**  trans-96.5114.8170.2-78.5163.8000107.8
193P35Very low35.2Very low84 Ų84113.5 Ų113.555%0.54569%0.693SS.*  trans-73.7144.2167.727.8-29.4000110.2D195P193-D195 PolarHBondContact O-N 3.01Å
194A41.5Very low35.5Very low105 Ų105109.7 Ų109.787%0.86868%0.683SS**SBendtrans-67.2-4-174.400000114.9
195D39.6Very low35.2Very low149 Ų149112.7 Ų112.780%0.79769%0.69SS**SBendtrans-119.173.6-177.6-69-47.7000111.1P193 G197P193-D195 PolarHBondContact O-N 3.01Å; D195-G197 PolarHBondContact O-N 3.3Å
196G42.9Very low35.5Very low88 Ų88112 Ų11291%0.90769%0.686SS**SBendtrans47.712.415100000122.1
197G36.5Very low35.3Very low42 Ų42110.4 Ų110.443%0.43369%0.685SS.*PPolyproline II helixtrans-98.3165-178.800000114.6D195D195-G197 PolarHBondContact O-N 3.3Å
198P35.3Very low35.1Very low136 Ų136107.2 Ų107.288%0.88369%0.686SS**PPolyproline II helixtrans-67.4134.9-175.627.8-33.8000112.3
199A35Very low35.4Very low60 Ų60109.2 Ų109.250%0.49669%0.693SS.*PPolyproline II helixtrans-67.5128-17600000112.4
200A34.8Very low35.5Very low72 Ų72105.1 Ų105.160%0.59570%0.703SS**PPolyproline II helixtrans-87.6127.9173.500000111
201I34Very low35.5Very low134 Ų134109.4 Ų109.469%0.68771%0.713SS**PPolyproline II helixtrans-93.4118.6173.9-58.4172.6000108V203I201-V203 HydrophobicContact CG2-CG2 4.12Å
202T33.7Very low35.3Very low113 Ų113112.6 Ų112.669%0.69373%0.725SS**  trans-108.8123.2172.9-52.70000109.3
203V31.2Very low35Very low101 Ų101109.8 Ų109.861%0.61272%0.724SS**  trans-113121.1175.8-174.70000108.5I201I201-V203 HydrophobicContact CG2-CG2 4.12Å
204P34.8Very low34.9Very low96 Ų96109.4 Ų109.462%0.62374%0.735SS**  trans-76.9126.1171.628.9-29.7000110.2
205L30.3Very low34.4Very low172 Ų172110.4 Ų110.490%0.90174%0.736SS**  trans-83115.9167.2-70.6172.9000108.7
206I36.2Very low33.9Very low137 Ų137109.4 Ų109.470%0.70374%0.735SS**  trans-94.499.8171.2-52.8174.1000107.1P186P186-I206 HydrophobicContact CG-CD1 4.36Å
207G29.4Very low33.3Very low57 Ų57114.7 Ų114.759%0.58873%0.733SS**  trans-67.1141.9159.800000109.2
208G34.7Very low33Very low63 Ų63118.9 Ų118.965%0.64975%0.749SS**SBendtrans-49.3149.4159.700000108.7
209D36.5Very low32.7Very low152 Ų152119.7 Ų119.781%0.81375%0.747SS**SBendtrans91.434.9174-23.7-22.5000116.3K211D209-K211 VanDerWaalsContact C-N 3.25Å; D209-K211 PolarHBondContact O-N 3.49Å
210G39.7Very low32.5Very low86 Ų86122.6 Ų122.689%0.88776%0.76SS**SBendtrans47.132144.300000119
211K32.8Very low32.4Very low193 Ų193125.7 Ų125.784%0.83977%0.772SS**  trans-136.4127.6175.5-69.7-178.5-179.8176.30109.6D209 A213D209-K211 VanDerWaalsContact C-N 3.25Å; D209-K211 PolarHBondContact O-N 3.49Å; K211-A213 PolarHBondContact O-N 3.38Å
212N32.8Very low32.2Very low176 Ų176124.2 Ų124.294%0.94177%0.774SS**  trans-66113.4-176.1-149.55.8000109.9
213A28.1Very low31.9Very low90 Ų90127.6 Ų127.674%0.74478%0.784SS**  trans-107.2131.6170.300000108.7K211K211-A213 PolarHBondContact O-N 3.38Å
214G32.7Very low31.9Very low75 Ų75128.2 Ų128.277%0.77379%0.792SS**PPolyproline II helixtrans-57.1169.7-164.700000118
215S31.7Very low31.6Very low127 Ų127129.7 Ų129.789%0.88880%0.802SS**PPolyproline II helixtrans-75136.2-177.5-520000113.1
216V29.6Very low31.3Very low127 Ų127129.7 Ų129.777%0.7780%0.802SS**PPolyproline II helixtrans-101.3123.5166.3177.90000108.5V218V216-V218 HydrophobicContact CG1-CG1 4.41Å
217K30.2Very low30.7Very low199 Ų199132 Ų13287%0.86581%0.81SS**PPolyproline II helixtrans-83130.2166.4-81.2-179.2172.7-176.80108.6
218V29.8Very low30.5Very low130 Ų130136.9 Ų136.979%0.78882%0.821SS**  trans-119116.3168.5-85.30000108.4V216V216-V218 HydrophobicContact CG1-CG1 4.41Å
219D28Very low30.1Very low154 Ų154139.4 Ų139.482%0.82483%0.826SS**  trans-81.7130173.8-80.7-54.6000110.2T221D219-T221 PolarHBondContact O-N 3.4Å
220P31.3Very low29.4Very low121 Ų121136.9 Ų136.979%0.78682%0.82SS**  trans-95.281.7176.835.5-28.8000109.8
221T32.6Very low28.6Very low137 Ų137140 Ų14084%0.8482%0.816SS**  trans-148.683.8162.8-54.90000109.5D219D219-T221 PolarHBondContact O-N 3.4Å
222S29.7Very low28.3Very low103 Ų103135.2 Ų135.272%0.7281%0.807SS**  trans178.484.4162.1159.60000108.5
223M28.4Very low28.2Very low183 Ų183135.5 Ų135.590%0.90180%0.803SS**  trans-161.7106.1144-81.4-43157.300107.4
224S30.8Very low28.2Very low114 Ų114138 Ų13880%0.79780%0.799SS**PPolyproline II helixtrans-73.6157.9169.4-62.20000110.7
225P27.2Very low27.8Very low127 Ų127139.7 Ų139.783%0.82580%0.799SS**PPolyproline II helixtrans-78.5136.8-174.3-2.521.1000111
226L24Very low27.6Very low172 Ų172139.2 Ų139.290%0.90179%0.791SS**PPolyproline II helixtrans-96122.7165.4-84.5168.6000109.5
227E24.2Very low27.6Very low185 Ų185140.7 Ų140.786%0.86479%0.793SS**PPolyproline II helixtrans-61.8141.5170.9-61.5-177.5123.500111
228I24.6Very low27.5Very low161 Ų161140.3 Ų140.383%0.82679%0.794SS**  trans-105.5115.7168.6-57.6172.7000106.3
229P26.6Very low27.5Very low115 Ų115139.8 Ų139.875%0.74780%0.796SS**  trans-8514016822.2-11.2000111.3
230S23.3Very low27.5Very low99 Ų99136.2 Ų136.269%0.69280%0.796SS**  trans-57.7151.2160.2-50.70000112.2
231D22.9Very low27.2Very low152 Ų152135.8 Ų135.881%0.81380%0.796SS**  trans165.2116.7138.9-78.4-23.9000107.3
232S25.8Very low27Very low92 Ų92135 Ų13564%0.64380%0.796SS**  62.1114.160.6-36.10000113.3
233E30.7Very low26.9Very low183 Ų183135 Ų13586%0.85580%0.802SS**  trans77.3151.3147.6-36.6-130.1127.100115
234E28.8Very low27.1Very low143 Ų143133.3 Ų133.367%0.66880%0.796SS**  cis-167.8140.2-12.4164.8174.8119.900103.9T236E234-T236 PolarHBondContact O-N 2.99Å
235S24.2Very low27.4Very low110 Ų110135.1 Ų135.177%0.76979%0.792SS**  trans-75.7113.9171.553.10000110.1
236T27.8Very low27.7Very low117 Ų117134 Ų13472%0.71879%0.787SS**  trans-114.1121.9160.932.30000110.3E234E234-T236 PolarHBondContact O-N 2.99Å
237I29.7Very low28.7Very low157 Ų157132.9 Ų132.981%0.80578%0.781SS**  trans-87.9117.3174.6-58.3163.5000105
238E28.2Very low29.3Very low192 Ų192133 Ų13390%0.89778%0.781SS**  trans-131.5130160.6-79.3-141.7133.400111.6
239S27.9Very low29.6Very low118 Ų118128.8 Ų128.883%0.82578%0.778SS**  trans-86.1138.6171.4-570000108
240G28.2Very low30Very low80 Ų80132 Ų13283%0.82579%0.788SS**  trans-169.5100.2179.300000112.8
241S26.6Very low30.8Very low111 Ų111135.8 Ų135.878%0.77680%0.795SS**  trans-67.8153.1176.4530000114.3
242S26.8Very low31.5Very low120 Ų120137.4 Ų137.484%0.83980%0.797SS**  trans78.4109146.2-57.20000119.4
243A28.6Very low32.1Very low103 Ų103141.1 Ų141.185%0.85181%0.805SS**  trans-155.711213100000110
244L32.5Very low33.4Very low148 Ų148137.2 Ų137.278%0.77580%0.795SS**  trans-67.9145.8157.1-74171.2000108.8
245Q36.6Very low33.8Very low153 Ų153135.2 Ų135.272%0.71580%0.803SS**  158.9133.2100.5-130.798.129.500111.9
246S34.7Very low34.3Very low103 Ų103134.9 Ų134.972%0.7281%0.807SS**  trans75.5134.8144.1-44.80000117.5
247L43.5Very low35Very low149 Ų149138.6 Ų138.678%0.7882%0.818SS**  cis-150.812924.4-72.2165.8000108.4
248Q38.2Very low35.6Very low186 Ų186135 Ų13587%0.86981%0.812SS**  51.6113.8103.9-80.6178.9-23.700117.8
249G30.8Very low36.5Very low73 Ų73133.6 Ų133.675%0.75381%0.805SS**  111.598.7129.600000117.3
250L35.1Very low37.1Very low183 Ų183137 Ų13796%0.95881%0.81SS**  -174.7128.5113.6-90.7172.6000109
251Q39.9Very low37.5Very low178 Ų178140.8 Ų140.883%0.83281%0.807SS**  trans-90.1164.1175-78.9172.8-13.100110.9
252Q37.3Very low38.7Very low186 Ų186139 Ų13987%0.86981%0.806SS**  trans90.9137.9166.4-55.2173.717.600114.8
253E38.6Very low39.7Very low170 Ų170142.9 Ų142.979%0.79481%0.811SS**  cis-172.4-173.4-23.4-121.3-64.896.100104.1
254P56.9Low40.8Very low102 Ų102146.7 Ų146.766%0.66281%0.811SS**  trans-106.1-172-133.142.2-26.6000114.3
255A37.6Very low41.6Very low100 Ų100143.1 Ų143.183%0.82680%0.798SS**  trans100.887.6167.200000116.8
256A34.8Very low42.4Very low103 Ų103142.8 Ų142.885%0.85180%0.801SS**  trans-137.989141.900000108.5A258A256-A258 PolarHBondContact O-N 2.84Å
257M43.5Very low43.2Very low195 Ų195145.4 Ų145.496%0.96181%0.807SS**  trans-72.8112.2157.1-75.9-173.8-106.500107.6
258A41.7Very low43.8Very low81 Ų81145.4 Ų145.467%0.66981%0.807SS**  trans-155.789.1157.500000109.5A256A256-A258 PolarHBondContact O-N 2.84Å
259Q46.2Very low44.7Very low163 Ų163144.9 Ų144.976%0.76280%0.801SS**  trans42.990.7132.9-59.6174.2-27.900116.9
260M40.2Very low46.1Very low189 Ų189152.5 Ų152.593%0.93181%0.808SS**  trans-111.281.5139.9-73.7-80.2-73.200106
261Q38.1Very low47.5Very low161 Ų161153 Ų15375%0.75280%0.797SS**  trans-59.1136.9166.3-71.5176-18.300107.9
262G50.4Low49.4Very low73 Ų73153.8 Ų153.875%0.75379%0.792SS**  trans-64.8134.8-164.800000113.9
263E48.6Very low51.9Low201 Ų201150.7 Ų150.794%0.93978%0.78SS**  trans-13840157.8-62.3-156.6167.600110.2
264E52.4Low54.3Low183 Ų183144.4 Ų144.486%0.85575%0.751SS**SBendtrans-123.5124.7170.2-153.6-175.814400109.7
265S49.6Very low56Low73 Ų73145.6 Ų145.651%0.5175%0.747SS.*  trans81.149.7164.6-170.40000118.4
266L52.1Low58.7Low147 Ų147141.2 Ų141.277%0.7771%0.711SS**SBendtrans-96.2-12.9155.6-69.1-176.6000114.5K269L266-K269 PolarHBondContact O-N 3.13Å
267D51.8Low61.4Low158 Ų158141.9 Ų141.985%0.84570%0.7SS**THydrogen-bonded Turntrans-80.4-18.2-178.8-84-66.1000115.4
268L55.9Low63.7Low148 Ų148137.6 Ų137.678%0.77568%0.676SS**THydrogen-bonded Turntrans-86.6-12171.8-90.578.8000113.4R270L268-R270 PolarHBondContact O-N 2.95Å
269K57.2Low66.2Low175 Ų175138.1 Ų138.176%0.76168%0.68SS**THydrogen-bonded Turntrans-909.8-166.5-134.1158.4-171.9170.90115.5L266L266-K269 PolarHBondContact O-N 3.13Å
270R60.2Low68.2Low234 Ų234134.6 Ų134.688%0.88369%0.688SS**THydrogen-bonded Turntrans-140.533.2173.7-154.2-177.5-78-149.1-2.5115.1L268 R272L268-R270 PolarHBondContact O-N 2.95Å; R270-R272 PolarHBondContact O-N 3.41Å; R270-R272 VanDerWaalsContact O-N 3.16Å
271R64.2Low70.7Confident194 Ų194126.4 Ų126.473%0.73265%0.649SS**  trans-79.196157.8-75.2-169.1-171.8-1482.4108.3I273R271-I273 PolarHBondContact O-N 2.86Å
272R79.6Confident73.3Confident194 Ų194123.9 Ų123.973%0.73265%0.649SS**  trans-58.2111.8171-177.9-176.6-72176.1-2.6108.2R270 H274R270-R272 PolarHBondContact O-N 3.41Å; R270-R272 VanDerWaalsContact O-N 3.16Å; R272-H274 PolarHBondContact O-CD2 3.33Å; R272-H274 VanDerWaalsContact O-CD2 3.31Å
273I89.6Confident75.3Confident120 Ų120126 Ų12662%0.61564%0.637SS**  trans-78.5133.5173.9-59.3171.9000107.9R271 V284R271-I273 PolarHBondContact O-N 2.86Å; I273-V284 HydrophobicContact CG2-CB 3.95Å; I273-V284 HydrophobicContact CG2-CG1 4.24Å
274H90.6Very high77.5Confident38 Ų38120.5 Ų120.518%0.17662%0.617CS.*EExtended strand (participates in β ladder)trans-109.499-179.2-67.5-76.2000109.1R272 V284 Y285 S288 L291R272-H274 PolarHBondContact O-CD2 3.33Å; R272-H274 VanDerWaalsContact O-CD2 3.31Å; H274-V284 CarbonylContact O-C 3.2Å; H274-Y285 WeakPolarHBondContact CA-O 3.31Å; H274-Y285 WeakPolarHBondContact CB-O 3.35Å; H274-Y285 PolarHBondContact N-O 3.43Å; H274-Y285 PolarHBondContact O-N 3.27Å; H274-S288 PolarHBondContact CD2-N 2.74Å; H274-S288 PolarHBondContact NE2-N 3.11Å; H274-L291 HydrophobicContact CB-CB 3.89Å; H274-L291 HydrophobicContact CB-CD2 3.74Å; H274-L291 HydrophobicContact CB-CG 4.39Å
275Q92Very high79.4Confident128 Ų128114 Ų11460%0.59859%0.586SS**EExtended strand (participates in β ladder)trans-87.3146.5178.2-173.3169.918.300111.5V284 L291Q275-V284 HydrophobicContact CB-CG1 3.99Å; Q275-V284 HydrophobicContact CG-CG1 3.86Å; Q275-L291 WeakPolarHBondContact O-CD2 3.4Å
276C93.6Very high81.4Confident8 Ų8114.6 Ų114.65%0.05459%0.586CS.*  trans-72.2132.4169.8-169.70000111.3F278 C281 K283 L291 H294C276-F278 VanDerWaalsContact SG-CB 3.6Å; C276-F278 PolarHBondContact SG-N 3.31Å; C276-C281 HydrophobicContact CB-CB 4.24Å; C276-K283 PolarHBondContact N-O 3.24Å; C276-L291 HydrophobicContact CB-CD1 4.02Å; C276-H294 PolarHBondContact SG-NE2 3.47Å
277D92.1Very high83.1Confident117 Ų117113.3 Ų113.363%0.62657%0.574SS**  trans-86.9-3.8178.956.1-26.8000113.4R295D277-R295 IonicContact OD1-NE 3.26Å; D277-R295 PolarHBondContact OD1-NE 2.96Å; D277-R295 IonicContact OD2-NE 3.9Å; D277-R295 IonicContact OD2-NH2 3.71Å
278F92.2Very high84.9Confident105 Ų105109.2 Ų109.246%0.46156%0.558SS.*SBendtrans-76.2135.7-175.4-164.9-95.4000112C276 G280 C281 H298C276-F278 VanDerWaalsContact SG-CB 3.6Å; C276-F278 PolarHBondContact SG-N 3.31Å; F278-G280 PolarHBondContact O-N 3.38Å; F278-C281 HydrophobicContact CB-CB 4.04Å; F278-C281 HydrophobicContact CD1-CB 4.49Å; F278-C281 WeakPolarHBondContact O-CB 3.47Å; F278-C281 PolarHBondContact O-N 2.65Å; F278-H298 HydrophobicContact CB-CB 4.47Å; F278-H298 HydrophobicContact CD1-CB 4.28Å; F278-H298 AromaticContact CD1-CE1 3.46Å; F278-H298 VanDerWaalsContact CD1-CE1 3.46Å; F278-H298 WeakPolarHBondContact CD1-CE1 3.25Å; F278-H298 AromaticContact CD1-CG 3.65Å; F278-H298 AromaticContact CD1-ND1 3.17Å; F278-H298 WeakPolarHBondContact CD1-ND1 3.31Å; F278-H298 HydrophobicContact CD2-CB 3.55Å; F278-H298 AromaticContact CD2-CG 3.69Å; F278-H298 HydrophobicContact CE1-CB 4.41Å; F278-H298 AromaticContact CE1-ND1 3.48Å; F278-H298 WeakPolarHBondContact CE1-ND1 3.36Å; F278-H298 HydrophobicContact CE2-CB 3.71Å; F278-H298 HydrophobicContact CG-CB 3.84Å; F278-H298 AromaticContact CG-CD2 3.74Å; F278-H298 AromaticContact CG-CE1 3.83Å; F278-H298 AromaticContact CG-CG 3.4Å; F278-H298 VanDerWaalsContact CG-CG 3.4Å; F278-H298 AromaticContact CG-ND1 3.47Å; F278-H298 WeakPolarHBondContact CG-ND1 3.38Å; F278-H298 HydrophobicContact CZ-CB 4.13Å
279A92.8Very high86.4Confident91 Ų91105.4 Ų105.475%0.75254%0.544SS*.THydrogen-bonded Turntrans-57.8126.1-18000000111.2C281A279-C281 VanDerWaalsContact C-N 3.3Å; A279-C281 PolarHBondContact O-N 3.47Å
280G90.1Very high88Confident90 Ų90101.3 Ų101.393%0.92853%0.527SS*.THydrogen-bonded Turntrans78.85.1-177.300000115.1F278F278-G280 PolarHBondContact O-N 3.38Å
281C91.4Very high89.5Confident16 Ų1691.2 Ų91.211%0.10849%0.491CS..  trans-104.6116.8174.1-1700000111.7C276 F278 A279 H294 H298C276-C281 HydrophobicContact CB-CB 4.24Å; F278-C281 HydrophobicContact CB-CB 4.04Å; F278-C281 HydrophobicContact CD1-CB 4.49Å; F278-C281 WeakPolarHBondContact O-CB 3.47Å; F278-C281 PolarHBondContact O-N 2.65Å; A279-C281 VanDerWaalsContact C-N 3.3Å; A279-C281 PolarHBondContact O-N 3.47Å; C281-H294 PolarHBondContact SG-NE2 3.47Å; C281-H298 PolarHBondContact SG-NE2 2.92Å
282S92.4Very high90.7Very high108 Ų10887 Ų8776%0.75548%0.478SS*.  trans-101.320.4177.5-510000113.4
283K93.7Very high91Very high117 Ų11778.8 Ų78.851%0.50945%0.451SS..  trans-78.5135.4-176.8-63-161.4-173.5-134.50112C276 Y285C276-K283 PolarHBondContact N-O 3.24Å; K283-Y285 HydrophobicContact CB-CE2 3.8Å; K283-Y285 WeakPolarHBondContact CB-OH 3.47Å; K283-Y285 VanDerWaalsContact CD-OH 3.25Å; K283-Y285 WeakPolarHBondContact CD-OH 3.43Å
284V93.3Very high91Very high86 Ų8673.6 Ų73.652%0.52142%0.424SS..EExtended strand (participates in β ladder)trans-123.1146177.9-66.50000110.7I273 H274 Q275I273-V284 HydrophobicContact CG2-CB 3.95Å; I273-V284 HydrophobicContact CG2-CG1 4.24Å; H274-V284 CarbonylContact O-C 3.2Å; Q275-V284 HydrophobicContact CB-CG1 3.99Å; Q275-V284 HydrophobicContact CG-CG1 3.86Å
285Y92.5Very high91Very high48 Ų4877 Ų7719%0.18844%0.435CS..EExtended strand (participates in β ladder)trans-132.6146.7-175.9-58.8-84.3000110.5H274 K283 H290 L291 H294H274-Y285 WeakPolarHBondContact CA-O 3.31Å; H274-Y285 WeakPolarHBondContact CB-O 3.35Å; H274-Y285 PolarHBondContact N-O 3.43Å; H274-Y285 PolarHBondContact O-N 3.27Å; K283-Y285 HydrophobicContact CB-CE2 3.8Å; K283-Y285 WeakPolarHBondContact CB-OH 3.47Å; K283-Y285 VanDerWaalsContact CD-OH 3.25Å; K283-Y285 WeakPolarHBondContact CD-OH 3.43Å; Y285-H290 HydrophobicContact CD1-CB 3.61Å; Y285-H290 HydrophobicContact CE1-CB 4.41Å; Y285-H290 HydrophobicContact CG-CB 4.03Å; Y285-L291 HydrophobicContact CD2-CB 3.86Å; Y285-L291 HydrophobicContact CD2-CD1 3.85Å; Y285-L291 HydrophobicContact CD2-CG 4.47Å; Y285-L291 HydrophobicContact CE2-CD1 4.1Å; Y285-L291 HydrophobicContact CG-CB 4.28Å; Y285-H294 HydrophobicContact CE1-CB 4.17Å; Y285-H294 HydrophobicContact CE2-CB 3.67Å; Y285-H294 AromaticContact CE2-CD2 3.33Å; Y285-H294 WeakPolarHBondContact CE2-CD2 3.24Å; Y285-H294 AromaticContact CE2-CG 3.54Å; Y285-H294 VanDerWaalsContact CZ-CB 3.43Å; Y285-H294 AromaticContact CZ-CD2 3.68Å; Y285-H294 AromaticContact CZ-CG 3.41Å; Y285-H294 VanDerWaalsContact CZ-CG 3.41Å; Y285-H294 VanDerWaalsContact OH-CB 3.25Å; Y285-H294 WeakPolarHBondContact OH-CB 3.38Å; Y285-H294 PolarHBondContact OH-CD2 2.82Å; Y285-H294 VanDerWaalsContact OH-CD2 3.3Å; Y285-H294 PolarHBondContact OH-ND1 3.23Å
286T91.6Very high90.8Very high84 Ų8472.8 Ų72.852%0.51541%0.414SS..SBendtrans-85.1-12.3174.752.90000113
287K89Confident90.5Very high120 Ų12077.6 Ų77.652%0.52244%0.438SS..SBendtrans-126.7137-179.8-61.4-174.6-177.8-179.20110.6S289 H290 L291K287-S289 VanDerWaalsContact C-N 3.29Å; K287-S289 PolarHBondContact O-N 3.33Å; K287-H290 HydrophobicContact CB-CB 4.44Å; K287-H290 PolarHBondContact O-N 2.87Å; K287-L291 PolarHBondContact O-N 3.32Å
288S88.8Confident90.4Very high72 Ų7274.7 Ų74.750%0.50342%0.421SS..Hα-helixtrans-61.8-36176.857.70000112.6H274 H290 L291 K292H274-S288 PolarHBondContact CD2-N 2.74Å; H274-S288 PolarHBondContact NE2-N 3.11Å; S288-H290 VanDerWaalsContact C-N 3.31Å; S288-H290 PolarHBondContact O-N 3.34Å; S288-L291 PolarHBondContact O-N 3.34Å; S288-K292 PolarHBondContact O-N 3.32Å
289S88.2Confident90.1Very high68 Ų6873.5 Ų73.548%0.47642%0.422SS..Hα-helixtrans-61.4-38.9176.956.60000112.2K287 K292 A293K287-S289 VanDerWaalsContact C-N 3.29Å; K287-S289 PolarHBondContact O-N 3.33Å; S289-K292 PolarHBondContact O-N 3.43Å; S289-A293 WeakPolarHBondContact O-CB 3.39Å; S289-A293 PolarHBondContact O-N 3.27Å
290H90.1Very high89.9Confident89 Ų8971.5 Ų71.541%0.41241%0.411SS..Hα-helixtrans-69.2-41.3176.6-65.3179.6000111.6Y285 K287 S288 K292 A293 H294Y285-H290 HydrophobicContact CD1-CB 3.61Å; Y285-H290 HydrophobicContact CE1-CB 4.41Å; Y285-H290 HydrophobicContact CG-CB 4.03Å; K287-H290 HydrophobicContact CB-CB 4.44Å; K287-H290 PolarHBondContact O-N 2.87Å; S288-H290 VanDerWaalsContact C-N 3.31Å; S288-H290 PolarHBondContact O-N 3.34Å; H290-K292 VanDerWaalsContact C-N 3.35Å; H290-A293 PolarHBondContact O-N 3.45Å; H290-H294 VanDerWaalsContact O-CB 3.27Å; H290-H294 WeakPolarHBondContact O-CB 3.43Å; H290-H294 PolarHBondContact O-N 3.29Å
291L91.8Very high89.8Confident23 Ų2372.8 Ų72.812%0.1239%0.392CS..Hα-helixtrans-60.9-44.7172.8174.262.8000111.1H274 Q275 C276 Y285 K287 S288 A293 H294 R295H274-L291 HydrophobicContact CB-CB 3.89Å; H274-L291 HydrophobicContact CB-CD2 3.74Å; H274-L291 HydrophobicContact CB-CG 4.39Å; Q275-L291 WeakPolarHBondContact O-CD2 3.4Å; C276-L291 HydrophobicContact CB-CD1 4.02Å; Y285-L291 HydrophobicContact CD2-CB 3.86Å; Y285-L291 HydrophobicContact CD2-CD1 3.85Å; Y285-L291 HydrophobicContact CD2-CG 4.47Å; Y285-L291 HydrophobicContact CE2-CD1 4.1Å; Y285-L291 HydrophobicContact CG-CB 4.28Å; K287-L291 PolarHBondContact O-N 3.32Å; S288-L291 PolarHBondContact O-N 3.34Å; L291-A293 PolarHBondContact O-N 3.28Å; L291-H294 WeakPolarHBondContact O-CB 3.24Å; L291-H294 PolarHBondContact O-N 3.05Å; L291-R295 HydrophobicContact CD1-CG 4.23Å; L291-R295 WeakPolarHBondContact O-CG 3.43Å; L291-R295 PolarHBondContact O-N 3Å
292K88.7Confident89.7Confident106 Ų10677.9 Ų77.946%0.46141%0.413SS..Hα-helixtrans-60.3-46.2177.5-173178.7-178.9-177.80111.6M22 S288 S289 H290 H294 R295M22-K292 PolarHBondContact SD-NZ 3.27Å; M22-K292 VanDerWaalsContact SD-NZ 3.38Å; S288-K292 PolarHBondContact O-N 3.32Å; S289-K292 PolarHBondContact O-N 3.43Å; H290-K292 VanDerWaalsContact C-N 3.35Å; K292-H294 VanDerWaalsContact C-N 3.32Å; K292-H294 PolarHBondContact O-N 3.35Å; K292-R295 PolarHBondContact O-N 3.03Å
293A87.1Confident89.5Confident21 Ų2176.4 Ų76.417%0.17440%0.4CS..Hα-helixtrans-63.4-39175.800000111.8S289 H290 L291 R296 R317S289-A293 WeakPolarHBondContact O-CB 3.39Å; S289-A293 PolarHBondContact O-N 3.27Å; H290-A293 PolarHBondContact O-N 3.45Å; L291-A293 PolarHBondContact O-N 3.28Å; A293-R296 VanDerWaalsContact O-CB 3.31Å; A293-R296 WeakPolarHBondContact O-CB 3.28Å; A293-R296 PolarHBondContact O-N 2.91Å; A293-R317 HydrophobicContact CB-CG 4.5Å
294H89.4Confident89.3Confident10 Ų1073.4 Ų73.45%0.04639%0.386CS..Hα-helixtrans-64.5-40.6176.2167.359000113C276 C281 Y285 H290 L291 K292 R296 I297 H298C276-H294 PolarHBondContact SG-NE2 3.47Å; C281-H294 PolarHBondContact SG-NE2 3.47Å; Y285-H294 HydrophobicContact CE1-CB 4.17Å; Y285-H294 HydrophobicContact CE2-CB 3.67Å; Y285-H294 AromaticContact CE2-CD2 3.33Å; Y285-H294 WeakPolarHBondContact CE2-CD2 3.24Å; Y285-H294 AromaticContact CE2-CG 3.54Å; Y285-H294 VanDerWaalsContact CZ-CB 3.43Å; Y285-H294 AromaticContact CZ-CD2 3.68Å; Y285-H294 AromaticContact CZ-CG 3.41Å; Y285-H294 VanDerWaalsContact CZ-CG 3.41Å; Y285-H294 VanDerWaalsContact OH-CB 3.25Å; Y285-H294 WeakPolarHBondContact OH-CB 3.38Å; Y285-H294 PolarHBondContact OH-CD2 2.82Å; Y285-H294 VanDerWaalsContact OH-CD2 3.3Å; Y285-H294 PolarHBondContact OH-ND1 3.23Å; H290-H294 VanDerWaalsContact O-CB 3.27Å; H290-H294 WeakPolarHBondContact O-CB 3.43Å; H290-H294 PolarHBondContact O-N 3.29Å; L291-H294 WeakPolarHBondContact O-CB 3.24Å; L291-H294 PolarHBondContact O-N 3.05Å; K292-H294 VanDerWaalsContact C-N 3.32Å; K292-H294 PolarHBondContact O-N 3.35Å; H294-R296 PolarHBondContact O-N 3Å; H294-R296 VanDerWaalsContact O-N 3.1Å; H294-I297 VanDerWaalsContact O-CB 3.24Å; H294-I297 WeakPolarHBondContact O-CB 3.09Å; H294-I297 WeakPolarHBondContact O-CG1 3.03Å; H294-I297 PolarHBondContact O-N 2.72Å; H294-H298 AromaticContact CE1-NE2 3.43Å; H294-H298 PolarHBondContact CE1-NE2 2.82Å; H294-H298 AromaticContact NE2-CD2 3.96Å; H294-H298 AromaticContact NE2-NE2 3.32Å; H294-H298 PolarHBondContact NE2-NE2 3.25Å
295R89.3Confident89.2Confident110 Ų11075 Ų7542%0.41539%0.386SS..Hα-helixtrans-57.6-26.5178.1-73.6175.780.9-120.72.6112.6D277 L291 K292 I297 H298 T299D277-R295 IonicContact OD1-NE 3.26Å; D277-R295 PolarHBondContact OD1-NE 2.96Å; D277-R295 IonicContact OD2-NE 3.9Å; D277-R295 IonicContact OD2-NH2 3.71Å; L291-R295 HydrophobicContact CD1-CG 4.23Å; L291-R295 WeakPolarHBondContact O-CG 3.43Å; L291-R295 PolarHBondContact O-N 3Å; K292-R295 PolarHBondContact O-N 3.03Å; R295-I297 PolarHBondContact O-N 3.05Å; R295-H298 WeakPolarHBondContact O-CB 3.18Å; R295-H298 PolarHBondContact O-N 3.31Å; R295-T299 PolarHBondContact O-N 3.03Å; R295-T299 VanDerWaalsContact O-N 3.09Å; R295-T299 PolarHBondContact O-OG1 2.93Å
296R89.6Confident89.2Confident40 Ų4072.8 Ų72.815%0.15138%0.378CS..Hα-helixtrans-61.4-23.5173.5-61.2179.3-179.9148.4-2113.6A293 H294 H298 T299 G300 E301 A316A293-R296 VanDerWaalsContact O-CB 3.31Å; A293-R296 WeakPolarHBondContact O-CB 3.28Å; A293-R296 PolarHBondContact O-N 2.91Å; H294-R296 PolarHBondContact O-N 3Å; H294-R296 VanDerWaalsContact O-N 3.1Å; R296-H298 VanDerWaalsContact C-N 3.3Å; R296-T299 WeakPolarHBondContact CA-OG1 3.22Å; R296-G300 CarbonylContact O-C 3.59Å; R296-G300 VanDerWaalsContact O-CA 3.31Å; R296-G300 WeakPolarHBondContact O-CA 3.47Å; R296-G300 PolarHBondContact O-N 3.47Å; R296-E301 HydrophobicContact CB-CB 4.39Å; R296-E301 HydrophobicContact CG-CB 4.26Å; R296-E301 PolarHBondContact O-N 2.8Å; R296-A316 HydrophobicContact CB-CB 4.2Å; R296-A316 WeakPolarHBondContact CD-O 3.49Å; R296-A316 PolarHBondContact NH1-O 3.36Å
297I87.4Confident89.2Confident109 Ų10974.6 Ų74.656%0.55939%0.389SS*.Hα-helixtrans-68-35.8174.2-57.6177000110.3H294 R295H294-I297 VanDerWaalsContact O-CB 3.24Å; H294-I297 WeakPolarHBondContact O-CB 3.09Å; H294-I297 WeakPolarHBondContact O-CG1 3.03Å; H294-I297 PolarHBondContact O-N 2.72Å; R295-I297 PolarHBondContact O-N 3.05Å
298H88.4Confident89.3Confident55 Ų5574 Ų7426%0.25538%0.384SS..Hα-helixtrans-79.7-38178.7-63.5-57.1000112.6F278 C281 H294 R295 R296F278-H298 HydrophobicContact CB-CB 4.47Å; F278-H298 HydrophobicContact CD1-CB 4.28Å; F278-H298 AromaticContact CD1-CE1 3.46Å; F278-H298 VanDerWaalsContact CD1-CE1 3.46Å; F278-H298 WeakPolarHBondContact CD1-CE1 3.25Å; F278-H298 AromaticContact CD1-CG 3.65Å; F278-H298 AromaticContact CD1-ND1 3.17Å; F278-H298 WeakPolarHBondContact CD1-ND1 3.31Å; F278-H298 HydrophobicContact CD2-CB 3.55Å; F278-H298 AromaticContact CD2-CG 3.69Å; F278-H298 HydrophobicContact CE1-CB 4.41Å; F278-H298 AromaticContact CE1-ND1 3.48Å; F278-H298 WeakPolarHBondContact CE1-ND1 3.36Å; F278-H298 HydrophobicContact CE2-CB 3.71Å; F278-H298 HydrophobicContact CG-CB 3.84Å; F278-H298 AromaticContact CG-CD2 3.74Å; F278-H298 AromaticContact CG-CE1 3.83Å; F278-H298 AromaticContact CG-CG 3.4Å; F278-H298 VanDerWaalsContact CG-CG 3.4Å; F278-H298 AromaticContact CG-ND1 3.47Å; F278-H298 WeakPolarHBondContact CG-ND1 3.38Å; F278-H298 HydrophobicContact CZ-CB 4.13Å; C281-H298 PolarHBondContact SG-NE2 2.92Å; H294-H298 AromaticContact CE1-NE2 3.43Å; H294-H298 PolarHBondContact CE1-NE2 2.82Å; H294-H298 AromaticContact NE2-CD2 3.96Å; H294-H298 AromaticContact NE2-NE2 3.32Å; H294-H298 PolarHBondContact NE2-NE2 3.25Å; R295-H298 WeakPolarHBondContact O-CB 3.18Å; R295-H298 PolarHBondContact O-N 3.31Å; R296-H298 VanDerWaalsContact C-N 3.3Å
299T86.9Confident89.4Confident80 Ų8077.7 Ų77.749%0.49140%0.397SS..Hα-helixtrans-84-15179.561.30000113.3R295 R296 E301R295-T299 PolarHBondContact O-N 3.03Å; R295-T299 VanDerWaalsContact O-N 3.09Å; R295-T299 PolarHBondContact O-OG1 2.93Å; R296-T299 WeakPolarHBondContact CA-OG1 3.22Å; T299-E301 PolarHBondContact O-N 3.28Å; T299-E301 WeakPolarHBondContact OG1-CG 3.22Å; T299-E301 PolarHBondContact OG1-N 3.05Å
300G87.2Confident89.5Confident50 Ų5078.1 Ų78.152%0.51541%0.413SS..  trans69.99.7-173.500000114R296 K302R296-G300 CarbonylContact O-C 3.59Å; R296-G300 VanDerWaalsContact O-CA 3.31Å; R296-G300 WeakPolarHBondContact O-CA 3.47Å; R296-G300 PolarHBondContact O-N 3.47Å; G300-K302 PolarHBondContact O-N 2.9Å
301E87.9Confident89.6Confident116 Ų11674.7 Ų74.754%0.54240%0.399SS..  trans-64.7124.5-178.9-77.1178.1-175.700111.6R296 T299 P303R296-E301 HydrophobicContact CB-CB 4.39Å; R296-E301 HydrophobicContact CG-CB 4.26Å; R296-E301 PolarHBondContact O-N 2.8Å; T299-E301 PolarHBondContact O-N 3.28Å; T299-E301 WeakPolarHBondContact OG1-CG 3.22Å; T299-E301 PolarHBondContact OG1-N 3.05Å; E301-P303 WeakPolarHBondContact O-CD 3.25Å
302K89.9Confident89.6Confident124 Ų12478.2 Ų78.254%0.53943%0.425SS..  trans-12479.3177.5-67173.5175-174.10110.1G300 Y304 K314 F315G300-K302 PolarHBondContact O-N 2.9Å; K302-Y304 VanDerWaalsContact C-N 3.27Å; K302-Y304 PolarHBondContact O-N 3Å; K302-K314 HydrophobicContact CB-CB 3.6Å; K302-K314 HydrophobicContact CD-CB 4.15Å; K302-K314 WeakPolarHBondContact CD-O 3.08Å; K302-K314 HydrophobicContact CG-CB 4.49Å; K302-F315 CarbonylContact C-O 3.46Å; K302-F315 VanDerWaalsContact C-O 3.27Å; K302-F315 VanDerWaalsContact CA-O 3.24Å; K302-F315 WeakPolarHBondContact CA-O 3.36Å
303P88.3Confident89.7Confident76 Ų7680.9 Ų80.949%0.49443%0.432SS..  trans-71-21.6-174.126-32.1000113.3E301E301-P303 WeakPolarHBondContact O-CD 3.25Å
304Y89.6Confident90Very high55 Ų5585.3 Ų85.322%0.21645%0.448CS..EExtended strand (participates in β ladder)trans-94.8108.8-175.5-55.2-78.6000110.4L15 K302 K314 F315 A316 R317L15-Y304 HydrophobicContact CD2-CD1 4.34Å; L15-Y304 HydrophobicContact CD2-CE1 3.87Å; K302-Y304 VanDerWaalsContact C-N 3.27Å; K302-Y304 PolarHBondContact O-N 3Å; Y304-K314 CarbonylContact O-C 3.27Å; Y304-K314 VanDerWaalsContact O-CA 3.26Å; Y304-K314 WeakPolarHBondContact O-CA 3.35Å; Y304-F315 WeakPolarHBondContact CD2-O 3.33Å; Y304-F315 PolarHBondContact N-O 3.38Å; Y304-F315 VanDerWaalsContact N-O 3.13Å; Y304-F315 PolarHBondContact O-N 3.38Å; Y304-A316 WeakPolarHBondContact CE2-O 3.41Å; Y304-R317 VanDerWaalsContact CE2-C 3.47Å; Y304-R317 VanDerWaalsContact CE2-CA 3.47Å
305K90.9Very high90Very high119 Ų11986 Ų8652%0.51745%0.451SS..EExtended strand (participates in β ladder)trans-98.8139.7179.2-170.8-169.6172.1-167.30110.6K314K305-K314 HydrophobicContact CB-CG 4.26Å; K305-K314 HydrophobicContact CG-CG 4.05Å
306C92.1Very high89.9Confident1 Ų181.7 Ų81.71%0.00744%0.438CS..  trans-68.1131.6166.8-166.60000110.4C311 W313 L321 H324 H328C306-C311 HydrophobicContact CB-CB 4.23Å; C306-W313 WeakPolarHBondContact CB-O 3.34Å; C306-W313 PolarHBondContact N-O 2.93Å; C306-L321 HydrophobicContact CB-CD1 4.1Å; C306-H324 PolarHBondContact SG-NE2 3.39Å; C306-H324 VanDerWaalsContact SG-NE2 3.44Å; C306-H328 PolarHBondContact SG-NE2 3.13Å
307T91.8Very high89.7Confident122 Ų12285 Ų8575%0.74845%0.451SS*.  trans-98.82.4178.952.30000112.9
308W91.3Very high89.7Confident109 Ų10981.6 Ų81.641%0.41344%0.437SS..SBendtrans-68.3138.4176.8-165.9-86.5000110.9G310 C311 F325 H328 T329W308-G310 PolarHBondContact O-N 3.39Å; W308-C311 HydrophobicContact CB-CB 3.95Å; W308-C311 WeakPolarHBondContact O-CB 3.13Å; W308-C311 PolarHBondContact O-N 3.46Å; W308-F325 AromaticContact CE3-CE1 3.89Å; W308-F325 HydrophobicContact CE3-CE1 3.89Å; W308-F325 AromaticContact CE3-CZ 3.98Å; W308-F325 HydrophobicContact CE3-CZ 3.98Å; W308-F325 HydrophobicContact CZ3-CE1 4.24Å; W308-H328 AromaticContact CD1-CE1 3.64Å; W308-H328 AromaticContact CD1-CG 3.83Å; W308-H328 AromaticContact CD1-ND1 3.38Å; W308-H328 HydrophobicContact CD2-CB 3.41Å; W308-H328 VanDerWaalsContact CD2-CB 3.41Å; W308-H328 AromaticContact CD2-CG 3.53Å; W308-H328 AromaticContact CD2-ND1 3.88Å; W308-H328 AromaticContact CE2-CG 3.95Å; W308-H328 AromaticContact CE2-ND1 3.96Å; W308-H328 HydrophobicContact CE3-CB 3.46Å; W308-H328 VanDerWaalsContact CE3-CB 3.46Å; W308-H328 AromaticContact CE3-CG 3.98Å; W308-H328 HydrophobicContact CG-CB 3.94Å; W308-H328 AromaticContact CG-CD2 3.7Å; W308-H328 AromaticContact CG-CE1 3.77Å; W308-H328 AromaticContact CG-CG 3.47Å; W308-H328 VanDerWaalsContact CG-CG 3.47Å; W308-H328 AromaticContact CG-ND1 3.51Å; W308-H328 AromaticContact CG-NE2 3.91Å; W308-H328 HydrophobicContact CH2-CB 4Å; W308-H328 HydrophobicContact CZ2-CB 3.98Å; W308-H328 HydrophobicContact CZ3-CB 3.76Å; W308-H328 AromaticContact NE1-ND1 3.68Å; W308-T329 HydrophobicContact CZ3-CG2 4.01Å
309D92.1Very high89.5Confident148 Ų14882.6 Ų82.679%0.79144%0.444SS*.THydrogen-bonded Turntrans-60.2133.2-177.4-168.271.3000111.7C311D309-C311 PolarHBondContact O-N 3.23Å
310G89.9Confident89.6Confident78 Ų7881.3 Ų81.380%0.80443%0.432SS*.THydrogen-bonded Turntrans72.2-3-172.800000115.5W308W308-G310 PolarHBondContact O-N 3.39Å
311C91.8Very high89.8Confident17 Ų1780 Ų8012%0.11541%0.413CS..  trans-98.1118.8176.4-166.80000112C306 W308 D309 H324 H328C306-C311 HydrophobicContact CB-CB 4.23Å; W308-C311 HydrophobicContact CB-CB 3.95Å; W308-C311 WeakPolarHBondContact O-CB 3.13Å; W308-C311 PolarHBondContact O-N 3.46Å; D309-C311 PolarHBondContact O-N 3.23Å; C311-H324 PolarHBondContact SG-NE2 3.37Å; C311-H328 PolarHBondContact SG-NE2 2.85Å; C311-H328 VanDerWaalsContact SG-NE2 3.43Å
312S91.1Very high89.9Confident96 Ų9675.5 Ų75.567%0.67139%0.394SS*.  trans-107.315.9177.7-680000113.6
313W92.5Very high89.8Confident163 Ų16374.5 Ų74.562%0.61739%0.386SS*.  trans-70.7139.3-177.6-77.956.7000111.7C306 F315 H324C306-W313 WeakPolarHBondContact CB-O 3.34Å; C306-W313 PolarHBondContact N-O 2.93Å; W313-F315 HydrophobicContact CB-CE2 3.92Å; W313-F315 HydrophobicContact CB-CZ 3.85Å; W313-F315 HydrophobicContact CE3-CE1 4.1Å; W313-F315 AromaticContact CE3-CZ 3.89Å; W313-F315 HydrophobicContact CE3-CZ 3.89Å; W313-H324 AromaticContact CG-CE1 3.91Å
314K92.3Very high90Very high114 Ų11471.6 Ų71.650%0.49637%0.366SS..EExtended strand (participates in β ladder)trans-125.9147.4177.2-57.7179.9-178175.80110.4K302 Y304 K305K302-K314 HydrophobicContact CB-CB 3.6Å; K302-K314 HydrophobicContact CD-CB 4.15Å; K302-K314 WeakPolarHBondContact CD-O 3.08Å; K302-K314 HydrophobicContact CG-CB 4.49Å; Y304-K314 CarbonylContact O-C 3.27Å; Y304-K314 VanDerWaalsContact O-CA 3.26Å; Y304-K314 WeakPolarHBondContact O-CA 3.35Å; K305-K314 HydrophobicContact CB-CG 4.26Å; K305-K314 HydrophobicContact CG-CG 4.05Å
315F88.9Confident90Very high25 Ų2571.2 Ų71.211%0.1137%0.366CS..EExtended strand (participates in β ladder)trans-129.1150.7-173.5-57.7-80.7000111.5K302 Y304 W313 E320 L321 H324K302-F315 CarbonylContact C-O 3.46Å; K302-F315 VanDerWaalsContact C-O 3.27Å; K302-F315 VanDerWaalsContact CA-O 3.24Å; K302-F315 WeakPolarHBondContact CA-O 3.36Å; Y304-F315 WeakPolarHBondContact CD2-O 3.33Å; Y304-F315 PolarHBondContact N-O 3.38Å; Y304-F315 VanDerWaalsContact N-O 3.13Å; Y304-F315 PolarHBondContact O-N 3.38Å; W313-F315 HydrophobicContact CB-CE2 3.92Å; W313-F315 HydrophobicContact CB-CZ 3.85Å; W313-F315 HydrophobicContact CE3-CE1 4.1Å; W313-F315 AromaticContact CE3-CZ 3.89Å; W313-F315 HydrophobicContact CE3-CZ 3.89Å; F315-E320 HydrophobicContact CB-CB 3.91Å; F315-E320 HydrophobicContact CD1-CB 3.79Å; F315-E320 HydrophobicContact CG-CB 4.05Å; F315-L321 HydrophobicContact CB-CB 4.4Å; F315-L321 HydrophobicContact CD2-CB 3.85Å; F315-L321 HydrophobicContact CD2-CD1 3.79Å; F315-L321 HydrophobicContact CD2-CG 4.43Å; F315-L321 HydrophobicContact CE2-CD1 3.95Å; F315-L321 HydrophobicContact CG-CB 4.32Å; F315-H324 HydrophobicContact CE1-CB 3.97Å; F315-H324 HydrophobicContact CE2-CB 3.71Å; F315-H324 AromaticContact CE2-CD2 3.51Å; F315-H324 AromaticContact CE2-CG 3.55Å; F315-H324 HydrophobicContact CZ-CB 3.33Å; F315-H324 AromaticContact CZ-CD2 3.64Å; F315-H324 AromaticContact CZ-CG 3.21Å; F315-H324 AromaticContact CZ-ND1 3.5Å; F315-H324 WeakPolarHBondContact CZ-ND1 3.5Å
316A87.8Confident90Very high18 Ų1867.8 Ų67.815%0.14935%0.35CS..SBendtrans-82.9-20.9178.300000111.5R296 Y304 E320R296-A316 HydrophobicContact CB-CB 4.2Å; R296-A316 WeakPolarHBondContact CD-O 3.49Å; R296-A316 PolarHBondContact NH1-O 3.36Å; Y304-A316 WeakPolarHBondContact CE2-O 3.41Å; A316-E320 PolarHBondContact N-OE2 2.83Å
317R85Confident89.9Confident111 Ų11175.6 Ų75.642%0.41938%0.383SS..SBendtrans-131.1155.9179.7-55.4167.448.3150.6-5.7112.2A293 Y304 D319 E320 L321A293-R317 HydrophobicContact CB-CG 4.5Å; Y304-R317 VanDerWaalsContact CE2-C 3.47Å; Y304-R317 VanDerWaalsContact CE2-CA 3.47Å; R317-D319 WeakPolarHBondContact CB-OD1 3.43Å; R317-D319 IonicContact CZ-OD1 3.49Å; R317-D319 IonicContact CZ-OD2 3.39Å; R317-D319 IonicContact NE-OD1 2.82Å; R317-D319 PolarHBondContact NE-OD1 3.33Å; R317-D319 IonicContact NE-OD2 3.43Å; R317-D319 PolarHBondContact NE-OD2 2.76Å; R317-D319 VanDerWaalsContact NH2-CG 3.33Å; R317-D319 IonicContact NH2-OD1 3.29Å; R317-D319 PolarHBondContact NH2-OD1 3.48Å; R317-D319 IonicContact NH2-OD2 2.74Å; R317-D319 PolarHBondContact NH2-OD2 2.92Å; R317-E320 HydrophobicContact CB-CB 4.47Å; R317-E320 HydrophobicContact CB-CG 4.04Å; R317-E320 PolarHBondContact N-OE2 3.16Å; R317-L321 PolarHBondContact O-N 3.48Å
318S87.4Confident89.8Confident37 Ų3772.4 Ų72.426%0.25936%0.36SS..Hα-helixtrans-69.7-41.6179.345.40000112.8E320 L321 T322S318-E320 PolarHBondContact O-N 2.78Å; S318-L321 WeakPolarHBondContact O-CA 3.49Å; S318-L321 WeakPolarHBondContact O-CB 3.34Å; S318-L321 PolarHBondContact O-N 3.41Å; S318-T322 PolarHBondContact O-N 3.47Å; S318-T322 PolarHBondContact O-OG1 2.87Å
319D85.2Confident89.7Confident76 Ų7669.4 Ų69.441%0.40635%0.354SS..Hα-helixtrans-61.5-31.8177.760.2-49.5000112.3R317 R323R317-D319 WeakPolarHBondContact CB-OD1 3.43Å; R317-D319 IonicContact CZ-OD1 3.49Å; R317-D319 IonicContact CZ-OD2 3.39Å; R317-D319 IonicContact NE-OD1 2.82Å; R317-D319 PolarHBondContact NE-OD1 3.33Å; R317-D319 IonicContact NE-OD2 3.43Å; R317-D319 PolarHBondContact NE-OD2 2.76Å; R317-D319 VanDerWaalsContact NH2-CG 3.33Å; R317-D319 IonicContact NH2-OD1 3.29Å; R317-D319 PolarHBondContact NH2-OD1 3.48Å; R317-D319 IonicContact NH2-OD2 2.74Å; R317-D319 PolarHBondContact NH2-OD2 2.92Å; D319-R323 VanDerWaalsContact O-CB 3.29Å; D319-R323 WeakPolarHBondContact O-CB 3.35Å; D319-R323 PolarHBondContact O-N 3.29Å
320E89Confident89.6Confident53 Ų5364.7 Ų64.725%0.24834%0.34CS..Hα-helixtrans-66.4-42.8172.4-66.4172.7169.100112F315 A316 R317 S318 H324F315-E320 HydrophobicContact CB-CB 3.91Å; F315-E320 HydrophobicContact CD1-CB 3.79Å; F315-E320 HydrophobicContact CG-CB 4.05Å; A316-E320 PolarHBondContact N-OE2 2.83Å; R317-E320 HydrophobicContact CB-CB 4.47Å; R317-E320 HydrophobicContact CB-CG 4.04Å; R317-E320 PolarHBondContact N-OE2 3.16Å; S318-E320 PolarHBondContact O-N 2.78Å; E320-H324 WeakPolarHBondContact O-CB 3.42Å; E320-H324 PolarHBondContact O-N 3.49Å
321L91.5Very high89.6Confident21 Ų2162.8 Ų62.811%0.1131%0.311CS..Hα-helixtrans-63.5-48.4174.8173.362.8000110.8C306 F315 R317 S318 R323 H324 F325C306-L321 HydrophobicContact CB-CD1 4.1Å; F315-L321 HydrophobicContact CB-CB 4.4Å; F315-L321 HydrophobicContact CD2-CB 3.85Å; F315-L321 HydrophobicContact CD2-CD1 3.79Å; F315-L321 HydrophobicContact CD2-CG 4.43Å; F315-L321 HydrophobicContact CE2-CD1 3.95Å; F315-L321 HydrophobicContact CG-CB 4.32Å; R317-L321 PolarHBondContact O-N 3.48Å; S318-L321 WeakPolarHBondContact O-CA 3.49Å; S318-L321 WeakPolarHBondContact O-CB 3.34Å; S318-L321 PolarHBondContact O-N 3.41Å; L321-R323 VanDerWaalsContact C-N 3.32Å; L321-R323 PolarHBondContact O-N 2.92Å; L321-H324 CarbonylContact O-C 3.46Å; L321-H324 WeakPolarHBondContact O-CA 3.48Å; L321-H324 WeakPolarHBondContact O-CB 3.29Å; L321-H324 PolarHBondContact O-N 3.45Å; L321-H324 VanDerWaalsContact O-N 3.08Å; L321-F325 HydrophobicContact CD1-CD2 4.4Å; L321-F325 PolarHBondContact O-N 3.2Å
322T89Confident89.6Confident22 Ų2267 Ų6714%0.13533%0.327CS..Hα-helixtrans-58.1-45.9178.5-57.20000111.3I8 S318 H324 F325 R326I8-T322 HydrophobicContact CG2-CG2 4.45Å; S318-T322 PolarHBondContact O-N 3.47Å; S318-T322 PolarHBondContact O-OG1 2.87Å; T322-H324 VanDerWaalsContact C-N 3.31Å; T322-H324 PolarHBondContact O-N 3.44Å; T322-F325 WeakPolarHBondContact O-CB 3.27Å; T322-F325 PolarHBondContact O-N 2.89Å; T322-R326 PolarHBondContact O-N 3.24Å
323R88.3Confident89.4Confident103 Ų10365.6 Ų65.639%0.38932%0.316SS..Hα-helixtrans-62.6-38.9175.9179.4178.462-174.7-3.1112.1D319 L321 R345D319-R323 VanDerWaalsContact O-CB 3.29Å; D319-R323 WeakPolarHBondContact O-CB 3.35Å; D319-R323 PolarHBondContact O-N 3.29Å; L321-R323 VanDerWaalsContact C-N 3.32Å; L321-R323 PolarHBondContact O-N 2.92Å; R323-R345 HydrophobicContact CG-CG 4.24Å
324H91.9Very high89.5Confident16 Ų1660.7 Ų60.77%0.07430%0.299CS..Hα-helixtrans-65.4-41174.7169.282.6000111.5C306 C311 W313 F315 E320 L321 T322 R326 K327 H328C306-H324 PolarHBondContact SG-NE2 3.39Å; C306-H324 VanDerWaalsContact SG-NE2 3.44Å; C311-H324 PolarHBondContact SG-NE2 3.37Å; W313-H324 AromaticContact CG-CE1 3.91Å; F315-H324 HydrophobicContact CE1-CB 3.97Å; F315-H324 HydrophobicContact CE2-CB 3.71Å; F315-H324 AromaticContact CE2-CD2 3.51Å; F315-H324 AromaticContact CE2-CG 3.55Å; F315-H324 HydrophobicContact CZ-CB 3.33Å; F315-H324 AromaticContact CZ-CD2 3.64Å; F315-H324 AromaticContact CZ-CG 3.21Å; F315-H324 AromaticContact CZ-ND1 3.5Å; F315-H324 WeakPolarHBondContact CZ-ND1 3.5Å; E320-H324 WeakPolarHBondContact O-CB 3.42Å; E320-H324 PolarHBondContact O-N 3.49Å; L321-H324 CarbonylContact O-C 3.46Å; L321-H324 WeakPolarHBondContact O-CA 3.48Å; L321-H324 WeakPolarHBondContact O-CB 3.29Å; L321-H324 PolarHBondContact O-N 3.45Å; L321-H324 VanDerWaalsContact O-N 3.08Å; T322-H324 VanDerWaalsContact C-N 3.31Å; T322-H324 PolarHBondContact O-N 3.44Å; H324-R326 PolarHBondContact O-N 3.21Å; H324-K327 WeakPolarHBondContact O-CB 3.24Å; H324-K327 WeakPolarHBondContact O-CG 3.41Å; H324-K327 PolarHBondContact O-N 2.81Å; H324-H328 AromaticContact CD2-NE2 3.92Å; H324-H328 AromaticContact CE1-NE2 3.75Å; H324-H328 AromaticContact NE2-CD2 3.87Å; H324-H328 AromaticContact NE2-NE2 3.18Å; H324-H328 PolarHBondContact NE2-NE2 2.92Å; H324-H328 VanDerWaalsContact NE2-NE2 3.18Å
325F90.1Very high89.5Confident47 Ų4763 Ų6321%0.20631%0.305CS..Hα-helixtrans-61.2-30.7179.4-136.3-89.3000112.9W308 L321 T322 K327 H328 T329W308-F325 AromaticContact CE3-CE1 3.89Å; W308-F325 HydrophobicContact CE3-CE1 3.89Å; W308-F325 AromaticContact CE3-CZ 3.98Å; W308-F325 HydrophobicContact CE3-CZ 3.98Å; W308-F325 HydrophobicContact CZ3-CE1 4.24Å; L321-F325 HydrophobicContact CD1-CD2 4.4Å; L321-F325 PolarHBondContact O-N 3.2Å; T322-F325 WeakPolarHBondContact O-CB 3.27Å; T322-F325 PolarHBondContact O-N 2.89Å; F325-K327 PolarHBondContact O-N 3.43Å; F325-H328 PolarHBondContact O-N 3.08Å; F325-H328 VanDerWaalsContact O-N 3.08Å; F325-T329 HydrophobicContact CD1-CG2 4.09Å; F325-T329 HydrophobicContact CE1-CG2 4.35Å; F325-T329 PolarHBondContact O-N 2.74Å; F325-T329 VanDerWaalsContact O-N 3.17Å; F325-T329 PolarHBondContact O-OG1 3.18Å
326R91.1Very high89.8Confident46 Ų4661.9 Ų61.917%0.17430%0.3CS..Hα-helixtrans-60.7-22.3171.4-66.8179.7-176159.24.6113.6T322 H324 T329 G330 S344T322-R326 PolarHBondContact O-N 3.24Å; H324-R326 PolarHBondContact O-N 3.21Å; R326-T329 WeakPolarHBondContact CA-OG1 3.14Å; R326-G330 WeakPolarHBondContact O-CA 3.31Å; R326-G330 PolarHBondContact O-N 3.23Å; R326-S344 WeakPolarHBondContact CD-O 3.3Å; R326-S344 PolarHBondContact NH1-O 3.2Å
327K90.1Very high90.1Very high165 Ų16566.1 Ų66.172%0.71732%0.324SS*.Hα-helixtrans-72.9-33.4174.5-60.6-175.1173-169.50112.3H324 F325H324-K327 WeakPolarHBondContact O-CB 3.24Å; H324-K327 WeakPolarHBondContact O-CG 3.41Å; H324-K327 PolarHBondContact O-N 2.81Å; F325-K327 PolarHBondContact O-N 3.43Å
328H90Very high90.4Very high55 Ų5565.3 Ų65.326%0.25533%0.328SS..Hα-helixtrans-75.6-42.5177.3-68.1-58.4000111.8C306 W308 C311 H324 F325C306-H328 PolarHBondContact SG-NE2 3.13Å; W308-H328 AromaticContact CD1-CE1 3.64Å; W308-H328 AromaticContact CD1-CG 3.83Å; W308-H328 AromaticContact CD1-ND1 3.38Å; W308-H328 HydrophobicContact CD2-CB 3.41Å; W308-H328 VanDerWaalsContact CD2-CB 3.41Å; W308-H328 AromaticContact CD2-CG 3.53Å; W308-H328 AromaticContact CD2-ND1 3.88Å; W308-H328 AromaticContact CE2-CG 3.95Å; W308-H328 AromaticContact CE2-ND1 3.96Å; W308-H328 HydrophobicContact CE3-CB 3.46Å; W308-H328 VanDerWaalsContact CE3-CB 3.46Å; W308-H328 AromaticContact CE3-CG 3.98Å; W308-H328 HydrophobicContact CG-CB 3.94Å; W308-H328 AromaticContact CG-CD2 3.7Å; W308-H328 AromaticContact CG-CE1 3.77Å; W308-H328 AromaticContact CG-CG 3.47Å; W308-H328 VanDerWaalsContact CG-CG 3.47Å; W308-H328 AromaticContact CG-ND1 3.51Å; W308-H328 AromaticContact CG-NE2 3.91Å; W308-H328 HydrophobicContact CH2-CB 4Å; W308-H328 HydrophobicContact CZ2-CB 3.98Å; W308-H328 HydrophobicContact CZ3-CB 3.76Å; W308-H328 AromaticContact NE1-ND1 3.68Å; C311-H328 PolarHBondContact SG-NE2 2.85Å; C311-H328 VanDerWaalsContact SG-NE2 3.43Å; H324-H328 AromaticContact CD2-NE2 3.92Å; H324-H328 AromaticContact CE1-NE2 3.75Å; H324-H328 AromaticContact NE2-CD2 3.87Å; H324-H328 AromaticContact NE2-NE2 3.18Å; H324-H328 PolarHBondContact NE2-NE2 2.92Å; H324-H328 VanDerWaalsContact NE2-NE2 3.18Å; F325-H328 PolarHBondContact O-N 3.08Å; F325-H328 VanDerWaalsContact O-N 3.08Å
329T89.5Confident90.7Very high46 Ų4666.2 Ų66.228%0.28233%0.334SS..Hα-helixtrans-84.7-16.8-176.455.10000113.6W308 F325 R326 I331W308-T329 HydrophobicContact CZ3-CG2 4.01Å; F325-T329 HydrophobicContact CD1-CG2 4.09Å; F325-T329 HydrophobicContact CE1-CG2 4.35Å; F325-T329 PolarHBondContact O-N 2.74Å; F325-T329 VanDerWaalsContact O-N 3.17Å; F325-T329 PolarHBondContact O-OG1 3.18Å; R326-T329 WeakPolarHBondContact CA-OG1 3.14Å; T329-I331 HydrophobicContact CG2-CD1 4.31Å; T329-I331 PolarHBondContact O-N 3.06Å
330G89.4Confident91Very high49 Ų4967.8 Ų67.851%0.50534%0.342SS..  trans69.18-174.700000114.3R326 K332R326-G330 WeakPolarHBondContact O-CA 3.31Å; R326-G330 PolarHBondContact O-N 3.23Å; G330-K332 PolarHBondContact O-N 3.39Å
331I88.6Confident91.3Very high39 Ų3972.1 Ų72.120%0.236%0.356CS..  trans-65.8127.7-176.2-65.8169000110.4M4 I8 T329M4-I331 HydrophobicContact CB-CD1 4.36Å; I8-I331 HydrophobicContact CD1-CD1 3.96Å; T329-I331 HydrophobicContact CG2-CD1 4.31Å; T329-I331 PolarHBondContact O-N 3.06Å
332K92.4Very high91.4Very high104 Ų10472.6 Ų72.645%0.45236%0.362SS..  trans-125.781.6-179.5-71.8173.8175.4-175.90109.7G330 F334 F343G330-K332 PolarHBondContact O-N 3.39Å; K332-F334 VanDerWaalsContact C-N 3.25Å; K332-F334 PolarHBondContact O-N 3.29Å; K332-F343 CarbonylContact C-O 3.57Å; K332-F343 VanDerWaalsContact CA-O 3.26Å; K332-F343 WeakPolarHBondContact CA-O 3.3Å
333P88.3Confident91.5Very high67 Ų6773 Ų7344%0.43536%0.362SS..  trans-75.2-15.4-169.829.1-29.9000113F343P333-F343 WeakPolarHBondContact CD-O 3.46Å
334F92.8Very high91.6Very high61 Ų6170.1 Ų70.127%0.26836%0.357SS..EExtended strand (participates in β ladder)trans-99.1100-174.9-56.4-75.7000110.5K332 S342 F343 R345 S346 L349K332-F334 VanDerWaalsContact C-N 3.25Å; K332-F334 PolarHBondContact O-N 3.29Å; F334-S342 CarbonylContact O-C 3.6Å; F334-S342 WeakPolarHBondContact O-CA 3.29Å; F334-F343 HydrophobicContact CB-CB 4.27Å; F334-F343 WeakPolarHBondContact CD2-O 3.39Å; F334-F343 PolarHBondContact N-O 3.21Å; F334-F343 PolarHBondContact O-N 3.26Å; F334-R345 VanDerWaalsContact CD2-CA 3.47Å; F334-S346 VanDerWaalsContact CD2-N 3.34Å; F334-S346 VanDerWaalsContact CE2-N 3.31Å; F334-L349 HydrophobicContact CB-CB 4.11Å; F334-L349 HydrophobicContact CB-CD2 3.92Å
335R94.1Very high91.6Very high163 Ų16371.9 Ų71.962%0.61536%0.363SS*.EExtended strand (participates in β ladder)trans-94.9135177.1-174.1175.9-70.2-178.8-0.2111.3S342R335-S342 PolarHBondContact NE-OG 3.11Å
336C94.6Very high91.7Very high1 Ų172.7 Ų72.71%0.00738%0.375CS..  trans-76.5130169-1750000109.9D338 N340 R341 F343 L349 H352 H356C336-D338 VanDerWaalsContact C-N 3.33Å; C336-N340 WeakPolarHBondContact O-CA 3.36Å; C336-N340 PolarHBondContact O-N 3.16Å; C336-R341 WeakPolarHBondContact CB-O 3.26Å; C336-R341 PolarHBondContact N-O 3.17Å; C336-F343 HydrophobicContact CB-CE2 4.24Å; C336-L349 HydrophobicContact CB-CD1 3.6Å; C336-H352 VanDerWaalsContact SG-CD2 3.6Å; C336-H356 PolarHBondContact SG-NE2 3.3Å
337T93.1Very high91.8Very high107 Ų10773.5 Ų73.566%0.65638%0.383SS*.THydrogen-bonded Turntrans-71.4-30.5179.2460000112.6
338D92.2Very high92Very high94 Ų9468.7 Ų68.750%0.50336%0.362SS..THydrogen-bonded Turntrans-85.5-29.3-168-43.6-35.1000111.8C336 H356C336-D338 VanDerWaalsContact C-N 3.33Å; D338-H356 IonicContact OD2-CD2 3.49Å; D338-H356 PolarHBondContact OD2-CD2 3.3Å; D338-H356 IonicContact OD2-CG 3.92Å
339C93.9Very high92.2Very high56 Ų5667.3 Ų67.338%0.37836%0.357SS..THydrogen-bonded Turntrans-133.28.8-179.4740000114.4R341 H352 H356C339-R341 PolarHBondContact O-N 3.1Å; C339-R341 VanDerWaalsContact SG-CB 3.57Å; C339-H352 VanDerWaalsContact SG-CE1 3.58Å; C339-H352 PolarHBondContact SG-NE2 3.47Å; C339-H356 PolarHBondContact SG-NE2 2.93Å; C339-H356 VanDerWaalsContact SG-NE2 3.4Å
340N92Very high92.4Very high109 Ų10968.4 Ų68.458%0.58337%0.366SS*.  trans57.38.8-179.7-71.7-41.6000116.2C336 S342C336-N340 WeakPolarHBondContact O-CA 3.36Å; C336-N340 PolarHBondContact O-N 3.16Å; N340-S342 PolarHBondContact O-N 3.31Å
341R93.4Very high92.6Very high143 Ų14370.6 Ų70.654%0.5437%0.366SS..  trans-69.7131.5177.3-162.7166.5-175.5148.21.4110.2C336 C339 F343C336-R341 WeakPolarHBondContact CB-O 3.26Å; C336-R341 PolarHBondContact N-O 3.17Å; C339-R341 PolarHBondContact O-N 3.1Å; C339-R341 VanDerWaalsContact SG-CB 3.57Å; R341-F343 HydrophobicContact CB-CE2 4.06Å; R341-F343 HydrophobicContact CB-CZ 4.1Å; R341-F343 HydrophobicContact CG-CE1 4.46Å; R341-F343 HydrophobicContact CG-CE2 4.16Å; R341-F343 HydrophobicContact CG-CZ 3.82Å; R341-F343 WeakPolarHBondContact O-CE2 3.44Å
342S93.7Very high92.9Very high32 Ų3269.7 Ų69.722%0.22436%0.361CS..EExtended strand (participates in β ladder)trans-104.9144.4-177.8-55.20000111.7F334 R335 N340F334-S342 CarbonylContact O-C 3.6Å; F334-S342 WeakPolarHBondContact O-CA 3.29Å; R335-S342 PolarHBondContact NE-OG 3.11Å; N340-S342 PolarHBondContact O-N 3.31Å
343F92.1Very high92.9Very high30 Ų3070.4 Ų70.413%0.13236%0.361CS..EExtended strand (participates in β ladder)trans-130.1149.1-174.2-57.9-87.7000110.8K332 P333 F334 C336 R341 R345 H348 L349 H352K332-F343 CarbonylContact C-O 3.57Å; K332-F343 VanDerWaalsContact CA-O 3.26Å; K332-F343 WeakPolarHBondContact CA-O 3.3Å; P333-F343 WeakPolarHBondContact CD-O 3.46Å; F334-F343 HydrophobicContact CB-CB 4.27Å; F334-F343 WeakPolarHBondContact CD2-O 3.39Å; F334-F343 PolarHBondContact N-O 3.21Å; F334-F343 PolarHBondContact O-N 3.26Å; C336-F343 HydrophobicContact CB-CE2 4.24Å; R341-F343 HydrophobicContact CB-CE2 4.06Å; R341-F343 HydrophobicContact CB-CZ 4.1Å; R341-F343 HydrophobicContact CG-CE1 4.46Å; R341-F343 HydrophobicContact CG-CE2 4.16Å; R341-F343 HydrophobicContact CG-CZ 3.82Å; R341-F343 WeakPolarHBondContact O-CE2 3.44Å; F343-R345 VanDerWaalsContact C-N 3.31Å; F343-H348 HydrophobicContact CB-CB 4.2Å; F343-H348 HydrophobicContact CD1-CB 3.95Å; F343-H348 HydrophobicContact CG-CB 4.31Å; F343-L349 HydrophobicContact CB-CB 4.46Å; F343-L349 HydrophobicContact CD2-CB 3.92Å; F343-L349 HydrophobicContact CD2-CD1 3.84Å; F343-L349 HydrophobicContact CD2-CG 4.48Å; F343-L349 HydrophobicContact CE2-CD1 3.92Å; F343-L349 HydrophobicContact CG-CB 4.35Å; F343-H352 HydrophobicContact CE1-CB 4.04Å; F343-H352 HydrophobicContact CE2-CB 4.01Å; F343-H352 AromaticContact CE2-CD2 3.57Å; F343-H352 AromaticContact CE2-CG 3.74Å; F343-H352 HydrophobicContact CZ-CB 3.52Å; F343-H352 AromaticContact CZ-CD2 3.56Å; F343-H352 AromaticContact CZ-CG 3.26Å; F343-H352 AromaticContact CZ-ND1 3.61Å
344S90.1Very high93.2Very high42 Ų4274.8 Ų74.829%0.29437%0.369SS..SBendtrans-80.9-12.2177.858.50000113.4R326R326-S344 WeakPolarHBondContact CD-O 3.3Å; R326-S344 PolarHBondContact NH1-O 3.2Å
345R91.3Very high93.1Very high54 Ų5479.5 Ų79.520%0.20439%0.385CS..SBendtrans-139.4145.8-178.2-56.7161.156.5166.8-3111.6R323 F334 F343 D347 H348 L349R323-R345 HydrophobicContact CG-CG 4.24Å; F334-R345 VanDerWaalsContact CD2-CA 3.47Å; F343-R345 VanDerWaalsContact C-N 3.31Å; R345-D347 WeakPolarHBondContact CB-OD1 3.4Å; R345-D347 IonicContact CZ-OD1 3.6Å; R345-D347 IonicContact CZ-OD2 3.34Å; R345-D347 IonicContact NE-OD1 2.92Å; R345-D347 PolarHBondContact NE-OD1 3.15Å; R345-D347 IonicContact NE-OD2 3.47Å; R345-D347 PolarHBondContact NE-OD2 3.08Å; R345-D347 IonicContact NH2-OD1 3.47Å; R345-D347 PolarHBondContact NH2-OD1 3.17Å; R345-D347 IonicContact NH2-OD2 2.65Å; R345-D347 PolarHBondContact NH2-OD2 3.49Å; R345-H348 HydrophobicContact CB-CB 4.44Å; R345-H348 VanDerWaalsContact CD-CD2 3.42Å; R345-H348 WeakPolarHBondContact CD-CD2 3.48Å; R345-H348 WeakPolarHBondContact CD-NE2 3.48Å; R345-H348 PolarHBondContact NE-CD2 3.21Å; R345-H348 VanDerWaalsContact NE-CD2 3.27Å; R345-H348 PolarHBondContact NE-NE2 2.96Å; R345-H348 PolarHBondContact NH1-NE2 3.16Å; R345-H348 PolarHBondContact O-N 3.44Å; R345-L349 PolarHBondContact O-N 3.47Å
346S92.7Very high92.8Very high64 Ų6474.6 Ų74.645%0.44837%0.369SS..Hα-helixtrans-67.7-38.4179.8530000112.4F334 H348 L349 S350F334-S346 VanDerWaalsContact CD2-N 3.34Å; F334-S346 VanDerWaalsContact CE2-N 3.31Å; S346-H348 PolarHBondContact O-N 3.43Å; S346-L349 WeakPolarHBondContact O-CB 3.26Å; S346-L349 PolarHBondContact O-N 3.35Å; S346-L349 VanDerWaalsContact O-N 3.11Å; S346-S350 PolarHBondContact O-N 3.48Å; S346-S350 PolarHBondContact O-OG 3.42Å
347D92.7Very high92.1Very high63 Ų6380 Ų8034%0.33740%0.397SS..Hα-helixtrans-62.5-33.617862.3-53000112R345 S350 L351R345-D347 WeakPolarHBondContact CB-OD1 3.4Å; R345-D347 IonicContact CZ-OD1 3.6Å; R345-D347 IonicContact CZ-OD2 3.34Å; R345-D347 IonicContact NE-OD1 2.92Å; R345-D347 PolarHBondContact NE-OD1 3.15Å; R345-D347 IonicContact NE-OD2 3.47Å; R345-D347 PolarHBondContact NE-OD2 3.08Å; R345-D347 IonicContact NH2-OD1 3.47Å; R345-D347 PolarHBondContact NH2-OD1 3.17Å; R345-D347 IonicContact NH2-OD2 2.65Å; R345-D347 PolarHBondContact NH2-OD2 3.49Å; D347-S350 PolarHBondContact O-N 3.08Å; D347-L351 WeakPolarHBondContact O-CB 3.2Å; D347-L351 WeakPolarHBondContact O-CG 3.49Å; D347-L351 PolarHBondContact O-N 3.46Å
348H94.4Very high91.1Very high64 Ų6480.3 Ų80.330%0.29640%0.399SS..Hα-helixtrans-68-41.4174.6-71.7-116.4000111.5F343 R345 S346 H352F343-H348 HydrophobicContact CB-CB 4.2Å; F343-H348 HydrophobicContact CD1-CB 3.95Å; F343-H348 HydrophobicContact CG-CB 4.31Å; R345-H348 HydrophobicContact CB-CB 4.44Å; R345-H348 VanDerWaalsContact CD-CD2 3.42Å; R345-H348 WeakPolarHBondContact CD-CD2 3.48Å; R345-H348 WeakPolarHBondContact CD-NE2 3.48Å; R345-H348 PolarHBondContact NE-CD2 3.21Å; R345-H348 VanDerWaalsContact NE-CD2 3.27Å; R345-H348 PolarHBondContact NE-NE2 2.96Å; R345-H348 PolarHBondContact NH1-NE2 3.16Å; R345-H348 PolarHBondContact O-N 3.44Å; S346-H348 PolarHBondContact O-N 3.43Å; H348-H352 VanDerWaalsContact O-CB 3.24Å; H348-H352 WeakPolarHBondContact O-CB 3.5Å; H348-H352 PolarHBondContact O-N 3.34Å
349L94.6Very high89.4Confident25 Ų2587 Ų8713%0.13143%0.43CS..Hα-helixtrans-62.2-46.9172.917362.6000111F334 C336 F343 R345 S346 L351 H352 R353F334-L349 HydrophobicContact CB-CB 4.11Å; F334-L349 HydrophobicContact CB-CD2 3.92Å; C336-L349 HydrophobicContact CB-CD1 3.6Å; F343-L349 HydrophobicContact CB-CB 4.46Å; F343-L349 HydrophobicContact CD2-CB 3.92Å; F343-L349 HydrophobicContact CD2-CD1 3.84Å; F343-L349 HydrophobicContact CD2-CG 4.48Å; F343-L349 HydrophobicContact CE2-CD1 3.92Å; F343-L349 HydrophobicContact CG-CB 4.35Å; R345-L349 PolarHBondContact O-N 3.47Å; S346-L349 WeakPolarHBondContact O-CB 3.26Å; S346-L349 PolarHBondContact O-N 3.35Å; S346-L349 VanDerWaalsContact O-N 3.11Å; L349-L351 PolarHBondContact O-N 3.47Å; L349-H352 WeakPolarHBondContact O-CB 3.47Å; L349-H352 PolarHBondContact O-N 3.48Å; L349-H352 VanDerWaalsContact O-N 3.13Å; L349-R353 HydrophobicContact CD1-CG 3.97Å; L349-R353 HydrophobicContact CG-CG 4.36Å; L349-R353 WeakPolarHBondContact O-CG 3.33Å; L349-R353 PolarHBondContact O-N 3.31Å
350S94.1Very high89.2Confident69 Ų6988.6 Ų88.648%0.48343%0.433SS..Hα-helixtrans-59.8-45.7178.9-59.60000112S346 D347 H352 R353 R354S346-S350 PolarHBondContact O-N 3.48Å; S346-S350 PolarHBondContact O-OG 3.42Å; D347-S350 PolarHBondContact O-N 3.08Å; S350-H352 VanDerWaalsContact C-N 3.29Å; S350-H352 PolarHBondContact O-N 3.19Å; S350-R353 PolarHBondContact O-N 2.92Å; S350-R354 PolarHBondContact O-N 3.4Å
351L94.1Very high89Confident95 Ų9587.5 Ų87.550%0.49743%0.425SS..Hα-helixtrans-62-38.3175.1-69.4174.7000112.2D347 L349D347-L351 WeakPolarHBondContact O-CB 3.2Å; D347-L351 WeakPolarHBondContact O-CG 3.49Å; D347-L351 PolarHBondContact O-N 3.46Å; L349-L351 PolarHBondContact O-N 3.47Å
352H94Very high88.8Confident21 Ų2184.4 Ų84.410%0.09742%0.418CS..Hα-helixtrans-67.3-42.6177.7168.478.3000112.3C336 C339 F343 H348 L349 S350 R354 R355 H356C336-H352 VanDerWaalsContact SG-CD2 3.6Å; C339-H352 VanDerWaalsContact SG-CE1 3.58Å; C339-H352 PolarHBondContact SG-NE2 3.47Å; F343-H352 HydrophobicContact CE1-CB 4.04Å; F343-H352 HydrophobicContact CE2-CB 4.01Å; F343-H352 AromaticContact CE2-CD2 3.57Å; F343-H352 AromaticContact CE2-CG 3.74Å; F343-H352 HydrophobicContact CZ-CB 3.52Å; F343-H352 AromaticContact CZ-CD2 3.56Å; F343-H352 AromaticContact CZ-CG 3.26Å; F343-H352 AromaticContact CZ-ND1 3.61Å; H348-H352 VanDerWaalsContact O-CB 3.24Å; H348-H352 WeakPolarHBondContact O-CB 3.5Å; H348-H352 PolarHBondContact O-N 3.34Å; L349-H352 WeakPolarHBondContact O-CB 3.47Å; L349-H352 PolarHBondContact O-N 3.48Å; L349-H352 VanDerWaalsContact O-N 3.13Å; S350-H352 VanDerWaalsContact C-N 3.29Å; S350-H352 PolarHBondContact O-N 3.19Å; H352-R354 PolarHBondContact O-N 3.46Å; H352-R355 VanDerWaalsContact O-CB 3.28Å; H352-R355 WeakPolarHBondContact O-CB 3.25Å; H352-R355 PolarHBondContact O-N 2.88Å; H352-H356 AromaticContact CD2-NE2 3.78Å; H352-H356 AromaticContact CE1-NE2 3.59Å; H352-H356 AromaticContact NE2-CD2 3.82Å; H352-H356 AromaticContact NE2-CE1 3.9Å; H352-H356 AromaticContact NE2-NE2 2.99Å; H352-H356 PolarHBondContact NE2-NE2 3.35Å
353R92.9Very high88.5Confident119 Ų11987.5 Ų87.545%0.44943%0.43SS..Hα-helixtrans-59.1-34.7179.5-76.7-179.667.8-151-3.7112.7L349 S350 R355 H356 D357L349-R353 HydrophobicContact CD1-CG 3.97Å; L349-R353 HydrophobicContact CG-CG 4.36Å; L349-R353 WeakPolarHBondContact O-CG 3.33Å; L349-R353 PolarHBondContact O-N 3.31Å; S350-R353 PolarHBondContact O-N 2.92Å; R353-R355 PolarHBondContact O-N 2.87Å; R353-H356 WeakPolarHBondContact O-CA 3.09Å; R353-H356 WeakPolarHBondContact O-CB 3.38Å; R353-H356 PolarHBondContact O-N 3.31Å; R353-D357 PolarHBondContact O-N 3.42Å
354R93.8Very high88.3Confident159 Ų15991.1 Ų91.160%0.645%0.449SS*.THydrogen-bonded Turntrans-58.1-18.4174-63.3-169-60.7174.98.3114.5S350 H352 T358S350-R354 PolarHBondContact O-N 3.4Å; H352-R354 PolarHBondContact O-N 3.46Å; R354-T358 WeakPolarHBondContact O-CG2 3.34Å
355R91Very high88.1Confident160 Ų16094.3 Ų94.360%0.60446%0.459SS*.THydrogen-bonded Turntrans-79.2-24.4173.7-174.1-178.7-73.298.9-4112.4H352 R353 T358H352-R355 VanDerWaalsContact O-CB 3.28Å; H352-R355 WeakPolarHBondContact O-CB 3.25Å; H352-R355 PolarHBondContact O-N 2.88Å; R353-R355 PolarHBondContact O-N 2.87Å; R355-T358 PolarHBondContact O-OG1 3.49Å; R355-T358 VanDerWaalsContact O-OG1 3.11Å
356H88.6Confident87.9Confident60 Ų6097.2 Ų97.228%0.27848%0.477SS..THydrogen-bonded Turntrans-81-31173.6-60.2-52.3000111.3C336 D338 C339 H352 R353 T358C336-H356 PolarHBondContact SG-NE2 3.3Å; D338-H356 IonicContact OD2-CD2 3.49Å; D338-H356 PolarHBondContact OD2-CD2 3.3Å; D338-H356 IonicContact OD2-CG 3.92Å; C339-H356 PolarHBondContact SG-NE2 2.93Å; C339-H356 VanDerWaalsContact SG-NE2 3.4Å; H352-H356 AromaticContact CD2-NE2 3.78Å; H352-H356 AromaticContact CE1-NE2 3.59Å; H352-H356 AromaticContact NE2-CD2 3.82Å; H352-H356 AromaticContact NE2-CE1 3.9Å; H352-H356 AromaticContact NE2-NE2 2.99Å; H352-H356 PolarHBondContact NE2-NE2 3.35Å; R353-H356 WeakPolarHBondContact O-CA 3.09Å; R353-H356 WeakPolarHBondContact O-CB 3.38Å; R353-H356 PolarHBondContact O-N 3.31Å; H356-T358 PolarHBondContact O-N 3.42Å
357D80.2Confident87.5Confident114 Ų11499.8 Ų99.861%0.6148%0.479SS*.THydrogen-bonded Turntrans-68.5-15.4178.1-57.6-24.2000113.5R353 M359R353-D357 PolarHBondContact O-N 3.42Å; D357-M359 PolarHBondContact O-N 3.1Å
358T71.8Confident87.1Confident113 Ų113102.8 Ų102.869%0.69349%0.491SS*.THydrogen-bonded Turntrans-94.932.1-177.355.20000113.8R354 R355 H356R354-T358 WeakPolarHBondContact O-CG2 3.34Å; R355-T358 PolarHBondContact O-OG1 3.49Å; R355-T358 VanDerWaalsContact O-OG1 3.11Å; H356-T358 PolarHBondContact O-N 3.42Å
359M56Low86.5Confident235 Ų235106.4 Ų106.4100%1.15851%0.509SS*.  trans-1190177.1-68.5-130.1179.800112.4D357D357-M359 PolarHBondContact O-N 3.1Å

Retrieved 359 of 359 residues in 40.2 ms (Link to these results)