A0A096NPN4_PAPAN Loading...

HS1-associating protein X-1

AlphaFold DB , UniProt , Accession A0A096NPN4, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 287 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
1M46.7Very low56.4Low241 Ų241129 Ų129100%1.18765%0.65SS**  01430-67159.598.500107.4
2S50.9Low55.9Low65 Ų65123.4 Ų123.446%0.45565%0.649SS.*  trans-82.7144.8-173-175.80000111.8F4 D5S2-F4 PolarHBondContact O-N 3.37Å; S2-F4 PolarHBondContact OG-N 3.17Å; S2-D5 PolarHBondContact O-N 2.82Å
3L56.4Low55.7Low124 Ų124125.5 Ų125.565%0.64965%0.65SS**Hα-helixtrans-57.4-29.2174.1-164.472.7000112D5 L6 F7L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 3.12Å; L3-L6 PolarHBondContact O-N 2.92Å; L3-F7 PolarHBondContact O-N 2.98Å
4F54.7Low55Low166 Ų166125.6 Ų125.673%0.72866%0.662SS**Hα-helixtrans-66.5-27.7175.8-77.3-90.8000114S2 R8S2-F4 PolarHBondContact O-N 3.37Å; S2-F4 PolarHBondContact OG-N 3.17Å; F4-R8 WeakPolarHBondContact O-CG 3.46Å; F4-R8 PolarHBondContact O-N 3.23Å
5D55.8Low54.7Low87 Ų87119.8 Ų119.847%0.46565%0.645SS.*Hα-helixtrans-77.7-33.8174.6-79.8-30.3000111.8S2 L3 F7 R8 G9S2-D5 PolarHBondContact O-N 2.82Å; L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 3.12Å; D5-F7 VanDerWaalsContact C-N 3.33Å; D5-F7 PolarHBondContact O-N 2.93Å; D5-R8 PolarHBondContact O-N 3.11Å; D5-R8 IonicContact OD1-CZ 2.97Å; D5-R8 IonicContact OD1-NH1 2.93Å; D5-R8 PolarHBondContact OD1-NH1 2.82Å; D5-G9 PolarHBondContact O-N 3.45Å
6L62.9Low54.3Low129 Ų129120.4 Ų120.468%0.67566%0.657SS**Hα-helixtrans-63.2-41.4175-170.764000111.1L3 F10L3-L6 PolarHBondContact O-N 2.92Å; L6-F10 PolarHBondContact O-N 3.29Å
7F59.1Low54.2Low131 Ų131127.9 Ų127.958%0.57567%0.674SS**Hα-helixtrans-66.7-37.7173.7-101.6-93.6000113.4L3 D5 F10 F11L3-F7 PolarHBondContact O-N 2.98Å; D5-F7 VanDerWaalsContact C-N 3.33Å; D5-F7 PolarHBondContact O-N 2.93Å; F7-F10 PolarHBondContact O-N 3.13Å; F7-F11 HydrophobicContact CD1-CD2 4.06Å; F7-F11 AromaticContact CD1-CE2 3.79Å; F7-F11 HydrophobicContact CD1-CE2 3.79Å; F7-F11 AromaticContact CE1-CE2 3.9Å; F7-F11 HydrophobicContact CE1-CE2 3.9Å; F7-F11 PolarHBondContact O-N 2.82Å
8R59.3Low53.8Low123 Ų123127.3 Ų127.346%0.46468%0.681SS.*Hα-helixtrans-67.2-35.5177.2-77168.265.8-142.25.6112.8F4 D5 F10 G12F4-R8 WeakPolarHBondContact O-CG 3.46Å; F4-R8 PolarHBondContact O-N 3.23Å; D5-R8 PolarHBondContact O-N 3.11Å; D5-R8 IonicContact OD1-CZ 2.97Å; D5-R8 IonicContact OD1-NH1 2.93Å; D5-R8 PolarHBondContact OD1-NH1 2.82Å; R8-F10 VanDerWaalsContact C-N 3.34Å; R8-G12 PolarHBondContact O-N 3.42Å
9G58.2Low53.4Low68 Ų68130.3 Ų130.370%0.70169%0.69SS**Hα-helixtrans-64.8-34.7174.700000113.6D5D5-G9 PolarHBondContact O-N 3.45Å
10F59.1Low53.1Low166 Ų166135.1 Ų135.173%0.72870%0.698SS**Hα-helixtrans-77.8-31.7-177.7-168.7-94.4000113.9L6 F7 R8L6-F10 PolarHBondContact O-N 3.29Å; F7-F10 PolarHBondContact O-N 3.13Å; R8-F10 VanDerWaalsContact C-N 3.34Å
11F57.5Low52.7Low119 Ų119133 Ų13352%0.52269%0.689SS.*Hα-helixtrans-105.26.9-176-70.3-76.2000115.2F7 F13F7-F11 HydrophobicContact CD1-CD2 4.06Å; F7-F11 AromaticContact CD1-CE2 3.79Å; F7-F11 HydrophobicContact CD1-CE2 3.79Å; F7-F11 AromaticContact CE1-CE2 3.9Å; F7-F11 HydrophobicContact CE1-CE2 3.9Å; F7-F11 PolarHBondContact O-N 2.82Å; F11-F13 VanDerWaalsContact C-N 3.3Å; F11-F13 HydrophobicContact CB-CD2 3.88Å; F11-F13 HydrophobicContact CB-CE2 3.64Å; F11-F13 PolarHBondContact O-N 3.46Å; F11-F13 VanDerWaalsContact O-N 3.15Å
12G50.4Low53.2Low62 Ų62127.2 Ų127.264%0.63967%0.669SS**THydrogen-bonded Turntrans68.315.3164.400000117.1R8 P14R8-G12 PolarHBondContact O-N 3.42Å; G12-P14 WeakPolarHBondContact O-CD 3.48Å
13F52.5Low53.3Low150 Ų150132.3 Ų132.366%0.65868%0.683SS**PPolyproline II helixtrans-68.6118179.3-68-74.5000111.6F11 G15F11-F13 VanDerWaalsContact C-N 3.3Å; F11-F13 HydrophobicContact CB-CD2 3.88Å; F11-F13 HydrophobicContact CB-CE2 3.64Å; F11-F13 PolarHBondContact O-N 3.46Å; F11-F13 VanDerWaalsContact O-N 3.15Å; F13-G15 PolarHBondContact O-N 3.28Å
14P46.1Very low53Low127 Ų127135 Ų13583%0.82569%0.69SS**PPolyproline II helixtrans-68.9117.6-176.927-33.6000111.1G12G12-P14 WeakPolarHBondContact O-CD 3.48Å
15G50.3Low52.6Low39 Ų39130.8 Ų130.840%0.40269%0.693SS.*PPolyproline II helixtrans-69.6161.1167.600000112F13 R17F13-G15 PolarHBondContact O-N 3.28Å; G15-R17 PolarHBondContact O-N 3.29Å
16P49.4Very low52.1Low129 Ų129129.9 Ų129.984%0.83870%0.704SS**SBendtrans-57.4134.2175.224.8-33.5000110.7S18P16-S18 PolarHBondContact O-N 2.94Å; P16-S18 VanDerWaalsContact O-N 3.12Å
17R52.2Low51.3Low249 Ų249132.5 Ų132.594%0.9472%0.715SS**  trans-43.8111.7-172.3-72.3171.7151.2101.7-4.1113G15G15-R17 PolarHBondContact O-N 3.29Å
18S47.2Very low50.7Low116 Ų116132.9 Ų132.981%0.81173%0.728SS**  trans-111.2147.6154.8-169.80000108.9P16P16-S18 PolarHBondContact O-N 2.94Å; P16-S18 VanDerWaalsContact O-N 3.12Å
19H46.8Very low50.3Low184 Ų184136.7 Ų136.785%0.85274%0.743SS**  trans-15.5124.4-171.8-140.5-67.6000117.9D21H19-D21 PolarHBondContact O-N 2.63Å
20R46.8Very low49.8Very low226 Ų226141.2 Ų141.285%0.85375%0.751SS**  trans-58.4135.2168.2-78.2176.4165167.7-8.1110.4
21D43.6Very low49.3Very low93 Ų93140.5 Ų140.550%0.49775%0.75SS.*  trans-84.5127.2166.9-179.5-7.8000109.1H19 F23H19-D21 PolarHBondContact O-N 2.63Å; D21-F23 PolarHBondContact O-N 3.11Å; D21-F23 VanDerWaalsContact O-N 3.16Å; D21-F23 PolarHBondContact OD1-N 3.25Å
22P58.1Low48.9Very low118 Ų118142.2 Ų142.277%0.76676%0.764SS**THydrogen-bonded Turntrans-62.7-13.7-178.524.1-35000115.7
23F53.5Low48.7Very low172 Ų172146.9 Ų146.975%0.75478%0.775SS**THydrogen-bonded Turntrans-87.9-20.5-173.2-79.3-84.5000116.6D21D21-F23 PolarHBondContact O-N 3.11Å; D21-F23 VanDerWaalsContact O-N 3.16Å; D21-F23 PolarHBondContact OD1-N 3.25Å
24F48.8Very low48.7Very low182 Ų182147.6 Ų147.680%0.79879%0.785SS**SBendtrans-127.219.7-168.7-65.4-78.4000115
25G47.9Very low48.8Very low76 Ų76150.9 Ų150.978%0.78479%0.789SS**SBendtrans-88.51.2-172.400000117.7
26G45.1Very low48.6Very low68 Ų68157.6 Ų157.670%0.70181%0.811SS**  trans-113.1-10.9-161.800000118.5T28G26-T28 PolarHBondContact O-N 3.06Å
27M45Very low48.3Very low185 Ų185159.8 Ų159.891%0.91181%0.81SS**SBendtrans-91.69.9-159.5-14378.5178.700116.4
28T47.4Very low47.8Very low138 Ų138156 Ų15685%0.84780%0.802SS**SBendtrans-141.142-173.769.80000113.1G26G26-T28 PolarHBondContact O-N 3.06Å
29R51.3Low47.8Very low204 Ų204158.6 Ų158.677%0.7780%0.802SS**  trans-141.878.2169-175176.8169.5105.31.4108.9
30D45.8Very low47.6Very low162 Ų162157.8 Ų157.887%0.86680%0.798SS**  trans-83.8160.1152.8-66.1-41.8000108.6
31E48.8Very low46.9Very low152 Ų152150.6 Ų150.671%0.7180%0.795SS**  trans-108.3178.2-161.7-63.7171.1135.600111.7
32D49.2Very low46.1Very low155 Ų155150.4 Ų150.483%0.82981%0.814SS**  trans73126.9174.8-44.1-27.2000115.7
33D47.6Very low45.1Very low160 Ų160148.9 Ų148.986%0.85681%0.807SS**  cis-133.4142.938.8-90.3-41.2000114
34D52.7Low44.3Very low164 Ų164152.6 Ų152.688%0.87782%0.816SS**  trans-105.3107.2167.8-71.5-45.3000110.1
35E46.5Very low43.3Very low196 Ų196147.5 Ų147.592%0.91682%0.815SS**  trans-131.2118.6159.2-73.7-166.6159.900109.8
36E46Very low43Very low181 Ų181156.1 Ų156.185%0.84682%0.824SS**  trans-88.6175.2176-61.9-174143.100111.4
37E43.6Very low42.2Very low175 Ų175156.6 Ų156.682%0.81883%0.828SS**  trans76137176-54.8178.1173.200114.8
38E42.9Very low41.8Very low168 Ų168155.3 Ų155.379%0.78583%0.825SS**  cis-156.5177.25-127.2174.5-171.600111.9
39E45.9Very low42.1Very low171 Ų171153.1 Ų153.180%0.79981%0.813SS**  trans-16.5162.6162.6-102.3-178.8174.700121.2
40E42.5Very low41.1Very low168 Ų168154.1 Ų154.179%0.78582%0.817SS**  cis-163.9151.67.9-165.2-166.7162.400110.3
41G31.7Very low40.3Very low75 Ų75156.4 Ų156.477%0.77382%0.82SS**  trans91.2125.5131.500000121.5
42G27.7Very low39.5Very low88 Ų88157.2 Ų157.291%0.90782%0.823SS**  trans158.360.9166.600000117.5
43S37Very low38.6Very low87 Ų87155.3 Ų155.361%0.60882%0.822SS**  trans-93.6164.8179.7-172.50000114.1
44W36.7Very low38.2Very low249 Ų249152.7 Ų152.794%0.94381%0.814SS**  trans80139.8169.2-40.6102.9000117.1
45G28.4Very low37.2Very low76 Ų76154 Ų15478%0.78481%0.814SS**  cis-168.2-169.46.900000115.7
46R40.2Very low36.6Very low257 Ų257153.6 Ų153.697%0.9781%0.812SS**  trans-106.6135.8-164.7170.5-158.9-73.1-111.63.5112.3
47G28.3Very low37Very low77 Ų77149.9 Ų149.979%0.79480%0.804SS**  trans-177.5151.2170.600000116.7
48N36.9Very low36.7Very low159 Ų159147.4 Ų147.485%0.8580%0.803SS**  trans-166.5169-171.6-147.38.9000107.8
49P53.4Low36.9Very low91 Ų91148.7 Ų148.759%0.59181%0.809SS**  cis-142-168.91.146-27.3000117.1
50R31.3Very low36.5Very low226 Ų226149.5 Ų149.585%0.85381%0.813SS**  trans74.3121.6157.8-73.3177.3175.3144.6-1.1120.3
51F28.9Very low36.7Very low209 Ų209151.3 Ų151.392%0.91782%0.818SS**  trans-148163.4131-130-93.9000111.1
52H31.8Very low36.9Very low170 Ų170150.7 Ų150.779%0.78781%0.812SS**  trans-84.3147.3-164.4-75.2-110.3000115.5
53S30.2Very low37.6Very low114 Ų114153.8 Ų153.880%0.79780%0.801SS**  trans-70.1156.9156-49.80000111.3
54P39.5Very low37.6Very low106 Ų106152.8 Ų152.869%0.68880%0.804SS**  -142.8160.5106.538.3-25.6000115.5
55Q30.9Very low37.9Very low191 Ų191147.1 Ų147.189%0.89379%0.787SS**  trans83.4117.5162.5-64.2158.117.900119.3
56H34.7Very low38.4Very low187 Ų187146.5 Ų146.587%0.86677%0.77SS**  trans-85175.5164.8-91.7-96.2000111.1
57P53.6Low38.4Very low104 Ų104142.9 Ų142.968%0.67576%0.762SS**  cis-126.3-168.8-27.337.5-18.7000110.9
58P38.9Very low38.9Very low122 Ų122142.7 Ų142.779%0.79275%0.748SS**  -132.9169.283.237.5-25.1000114E60P58-E60 PolarHBondContact O-N 3.49Å
59E46.8Very low39.3Very low196 Ų196142.4 Ų142.492%0.91676%0.755SS**  trans-50.4109.3-177.1-67.3151.7-173.400114
60E38Very low39Very low188 Ų188141.2 Ų141.288%0.87976%0.759SS**  trans-100.5121.4164.9-166.6169-145.300108.7P58 G62P58-E60 PolarHBondContact O-N 3.49Å; E60-G62 PolarHBondContact O-N 3.37Å
61F44.7Very low39.9Very low206 Ų206134.7 Ų134.790%0.90476%0.763SS**  trans-76.759.9-173-136.6-92.6000111.3
62G37Very low40.6Very low62 Ų62127.2 Ų127.264%0.63974%0.744SS**  trans-86.2115.7-170.900000113.8E60 G64E60-G62 PolarHBondContact O-N 3.37Å; G62-G64 PolarHBondContact O-N 3.3Å
63F42.6Very low41.3Very low152 Ų152125.3 Ų125.367%0.66774%0.738SS**  trans-76.467.6174.5-144.2-80.8000111.3F65 F79F63-F65 HydrophobicContact CD1-CD2 4.37Å; F63-F65 AromaticContact CD1-CE2 3.76Å; F63-F65 HydrophobicContact CD1-CE2 3.76Å; F63-F65 HydrophobicContact CD1-CZ 4.28Å; F63-F65 AromaticContact CE1-CE2 3.81Å; F63-F65 HydrophobicContact CE1-CE2 3.81Å; F63-F65 AromaticContact CE1-CZ 3.86Å; F63-F65 HydrophobicContact CE1-CZ 3.86Å; F63-F65 PolarHBondContact O-N 3.21Å; F63-F79 HydrophobicContact CD2-CZ 4.11Å; F63-F79 HydrophobicContact CE2-CE1 4.24Å; F63-F79 HydrophobicContact CE2-CE2 4.13Å; F63-F79 AromaticContact CE2-CZ 3.54Å; F63-F79 HydrophobicContact CE2-CZ 3.54Å; F63-F79 HydrophobicContact CZ-CZ 4.34Å
64G37Very low42.2Very low67 Ų67125.5 Ų125.569%0.69172%0.722SS**  trans-88.297.2-17000000115G62 S66G62-G64 PolarHBondContact O-N 3.3Å; G64-S66 PolarHBondContact O-N 3.06Å; G64-S66 VanDerWaalsContact O-N 3.1Å
65F41.8Very low42.8Very low130 Ų130127.7 Ų127.757%0.5772%0.721SS**  trans-68.7102165.3-71.1-83.4000110.7F63 F67F63-F65 HydrophobicContact CD1-CD2 4.37Å; F63-F65 AromaticContact CD1-CE2 3.76Å; F63-F65 HydrophobicContact CD1-CE2 3.76Å; F63-F65 HydrophobicContact CD1-CZ 4.28Å; F63-F65 AromaticContact CE1-CE2 3.81Å; F63-F65 HydrophobicContact CE1-CE2 3.81Å; F63-F65 AromaticContact CE1-CZ 3.86Å; F63-F65 HydrophobicContact CE1-CZ 3.86Å; F63-F65 PolarHBondContact O-N 3.21Å; F65-F67 HydrophobicContact CB-CE2 3.98Å; F65-F67 HydrophobicContact CB-CZ 4.4Å
66S40.3Very low43.6Very low62 Ų62125.8 Ų125.843%0.43471%0.711SS.*  trans-96.1101.5174.953.10000111.6G64 S68 R74G64-S66 PolarHBondContact O-N 3.06Å; G64-S66 VanDerWaalsContact O-N 3.1Å; S66-S68 PolarHBondContact O-N 3.36Å; S66-R74 PolarHBondContact OG-NH1 2.6Å
67F40.5Very low44.4Very low182 Ų182123.8 Ų123.880%0.79871%0.707SS**  trans-78102.8173.9-62.7-84.6000110.5F65F65-F67 HydrophobicContact CB-CE2 3.98Å; F65-F67 HydrophobicContact CB-CZ 4.4Å
68S37.5Very low44.4Very low73 Ų73125.5 Ų125.551%0.5171%0.711SS.*  trans-79.8149.8165.7-69.60000110.8S66 G70S66-S68 PolarHBondContact O-N 3.36Å; S68-G70 PolarHBondContact O-N 3.46Å
69P45.9Very low45.4Very low152 Ų152126.8 Ų126.899%0.98770%0.704SS**SBendtrans-68.923.8-177.6-19.733.9000116.2
70G47.8Very low46Very low66 Ų66119.2 Ų119.268%0.6868%0.679SS**SBendtrans-141.153.8-17200000112.6S68 G72S68-G70 PolarHBondContact O-N 3.46Å; G70-G72 PolarHBondContact O-N 3.21Å
71G50Low47.2Very low90 Ų90116.9 Ų116.993%0.92867%0.666SS**SBendtrans50.740.515300000118.6
72G43.8Very low48.1Very low51 Ų51112.7 Ų112.753%0.52665%0.653SS.*  trans-145.8119.5177.600000112.8G70 R74G70-G72 PolarHBondContact O-N 3.21Å; G72-R74 PolarHBondContact O-N 3.02Å; G72-R74 VanDerWaalsContact O-N 3.14Å
73I45.8Very low49.5Very low130 Ų130113.5 Ų113.567%0.66764%0.643SS**  trans-79.592.8170.8-36.2172.4000107.4F75I73-F75 HydrophobicContact CB-CE2 4.18Å; I73-F75 HydrophobicContact CG2-CD2 4.42Å; I73-F75 HydrophobicContact CG2-CE1 4.42Å; I73-F75 HydrophobicContact CG2-CE2 3.89Å; I73-F75 HydrophobicContact CG2-CZ 3.89Å; I73-F75 PolarHBondContact O-N 3.3Å
74R49.3Very low50.9Low119 Ų119110.5 Ų110.545%0.44963%0.633SS.*  trans-83.694.217240.3178.8-86-86.63.5109.5S66 G72 H76S66-R74 PolarHBondContact OG-NH1 2.6Å; G72-R74 PolarHBondContact O-N 3.02Å; G72-R74 VanDerWaalsContact O-N 3.14Å; R74-H76 PolarHBondContact NH2-NE2 3.49Å
75F51Low52.6Low152 Ų152110.1 Ų110.167%0.66762%0.617SS**  trans-60136.4157.3-58.7-82.7000107.6I73I73-F75 HydrophobicContact CB-CE2 4.18Å; I73-F75 HydrophobicContact CG2-CD2 4.42Å; I73-F75 HydrophobicContact CG2-CE1 4.42Å; I73-F75 HydrophobicContact CG2-CE2 3.89Å; I73-F75 HydrophobicContact CG2-CZ 3.89Å; I73-F75 PolarHBondContact O-N 3.3Å
76H48.9Very low54.1Low150 Ų150111 Ų11169%0.69462%0.616SS**  trans-85.7135.3166.3-86.7-80.6000108.2R74 N78R74-H76 PolarHBondContact NH2-NE2 3.49Å; H76-N78 PolarHBondContact O-N 2.8Å
77D51.1Low55.4Low145 Ų145112.1 Ų112.178%0.77562%0.618SS**SBendtrans-74.158.2-173.5-59.2-40.8000112.6
78N54.5Low56.9Low140 Ų140109 Ų10975%0.74960%0.604SS**  trans-110.4-6.2-179.3-79.479.5000113.3H76H76-N78 PolarHBondContact O-N 2.8Å
79F58Low58.4Low150 Ų150110.2 Ų110.266%0.65861%0.605SS**SBendtrans-102.70.7-175-77.3-80.5000114.9F63 F81F63-F79 HydrophobicContact CD2-CZ 4.11Å; F63-F79 HydrophobicContact CE2-CE1 4.24Å; F63-F79 HydrophobicContact CE2-CE2 4.13Å; F63-F79 AromaticContact CE2-CZ 3.54Å; F63-F79 HydrophobicContact CE2-CZ 3.54Å; F63-F79 HydrophobicContact CZ-CZ 4.34Å; F79-F81 PolarHBondContact O-N 3.04Å; F79-F81 VanDerWaalsContact O-N 3.13Å
80G59.8Low59.6Low37 Ų37106.1 Ų106.138%0.38158%0.58SS.*  trans58.825.817900000114D82 D83 L84G80-D82 PolarHBondContact O-N 3.11Å; G80-D83 WeakPolarHBondContact O-CB 3.3Å; G80-D83 PolarHBondContact O-N 3.1Å; G80-L84 PolarHBondContact O-N 3.35Å
81F64Low60.7Low139 Ų139107.3 Ų107.361%0.6157%0.57SS**Hα-helixtrans-62.5-32.3-175.1-171.9-101.5000112F79 L84 V85F79-F81 PolarHBondContact O-N 3.04Å; F79-F81 VanDerWaalsContact O-N 3.13Å; F81-L84 HydrophobicContact CD2-CD2 4.27Å; F81-L84 HydrophobicContact CE2-CD2 4.41Å; F81-L84 PolarHBondContact O-N 3.15Å; F81-V85 HydrophobicContact CD1-CG2 4.02Å; F81-V85 HydrophobicContact CE1-CG2 3.65Å; F81-V85 HydrophobicContact CZ-CG2 3.94Å; F81-V85 WeakPolarHBondContact O-CG2 3.36Å; F81-V85 PolarHBondContact O-N 2.99Å
82D62.9Low61.4Low118 Ų118109.4 Ų109.463%0.63155%0.554SS**Hα-helixtrans-66.1-35.9172.8-65.2-34.3000112.8G80 R86G80-D82 PolarHBondContact O-N 3.11Å; D82-R86 VanDerWaalsContact O-CB 3.29Å; D82-R86 WeakPolarHBondContact O-CB 3.28Å; D82-R86 PolarHBondContact O-N 3.1Å
83D65.8Low62.5Low79 Ų79111.2 Ų111.242%0.42256%0.558SS.*Hα-helixtrans-68.1-43.3173.3-71.9-33.5000110.5G80 V85 R86 D87G80-D83 WeakPolarHBondContact O-CB 3.3Å; G80-D83 PolarHBondContact O-N 3.1Å; D83-V85 PolarHBondContact O-N 3.23Å; D83-R86 PolarHBondContact O-N 2.96Å; D83-R86 IonicContact OD1-CZ 3.88Å; D83-R86 IonicContact OD1-NH1 2.98Å; D83-R86 PolarHBondContact OD1-NH1 3.5Å; D83-R86 IonicContact OD1-NH2 2.74Å; D83-R86 PolarHBondContact OD1-NH2 3.14Å; D83-D87 WeakPolarHBondContact O-CB 3.32Å; D83-D87 PolarHBondContact O-N 3.22Å
84L73.4Confident63.2Low88 Ų88110.4 Ų110.446%0.46156%0.555SS.*Hα-helixtrans-59.1-45.4175.2179.765.2000112.1G80 F81 R86 D87 F88G80-L84 PolarHBondContact O-N 3.35Å; F81-L84 HydrophobicContact CD2-CD2 4.27Å; F81-L84 HydrophobicContact CE2-CD2 4.41Å; F81-L84 PolarHBondContact O-N 3.15Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-D87 PolarHBondContact O-N 3.21Å; L84-F88 HydrophobicContact CD1-CD2 4.01Å; L84-F88 HydrophobicContact CD1-CE2 3.9Å; L84-F88 HydrophobicContact CG-CD2 4.17Å; L84-F88 HydrophobicContact CG-CE2 4.31Å; L84-F88 WeakPolarHBondContact O-CD2 3.22Å; L84-F88 PolarHBondContact O-N 3.2Å
85V72.4Confident63.3Low59 Ų59109 Ų10936%0.35856%0.555SS.*Hα-helixtrans-67.6-34.7177.4171.70000111F81 D83 N89F81-V85 HydrophobicContact CD1-CG2 4.02Å; F81-V85 HydrophobicContact CE1-CG2 3.65Å; F81-V85 HydrophobicContact CZ-CG2 3.94Å; F81-V85 WeakPolarHBondContact O-CG2 3.36Å; F81-V85 PolarHBondContact O-N 2.99Å; D83-V85 PolarHBondContact O-N 3.23Å; V85-N89 PolarHBondContact O-N 2.87Å; V85-N89 VanDerWaalsContact O-N 3.12Å; V85-N89 PolarHBondContact O-ND2 3.18Å
86R74.3Confident63.5Low148 Ų148104.1 Ų104.156%0.55855%0.547SS*.Hα-helixtrans-67.4-42.8174.1-168.617967.2-120.6-9.3111.8D82 D83 L84 N89 S90D82-R86 VanDerWaalsContact O-CB 3.29Å; D82-R86 WeakPolarHBondContact O-CB 3.28Å; D82-R86 PolarHBondContact O-N 3.1Å; D83-R86 PolarHBondContact O-N 2.96Å; D83-R86 IonicContact OD1-CZ 3.88Å; D83-R86 IonicContact OD1-NH1 2.98Å; D83-R86 PolarHBondContact OD1-NH1 3.5Å; D83-R86 IonicContact OD1-NH2 2.74Å; D83-R86 PolarHBondContact OD1-NH2 3.14Å; L84-R86 VanDerWaalsContact C-N 3.33Å; R86-N89 PolarHBondContact O-N 2.92Å; R86-S90 PolarHBondContact O-N 3.44Å
87D67.4Low63.8Low87 Ų87100.7 Ų100.747%0.46554%0.544SS..Hα-helixtrans-65-42.1178.1-75.42.8000111.5D83 L84 N89 S90 I91D83-D87 WeakPolarHBondContact O-CB 3.32Å; D83-D87 PolarHBondContact O-N 3.22Å; L84-D87 PolarHBondContact O-N 3.21Å; D87-N89 VanDerWaalsContact C-N 3.35Å; D87-N89 PolarHBondContact O-N 2.96Å; D87-S90 WeakPolarHBondContact O-CB 3.42Å; D87-S90 PolarHBondContact O-N 3.06Å; D87-I91 WeakPolarHBondContact O-CD1 3.26Å; D87-I91 VanDerWaalsContact O-CG1 3.3Å; D87-I91 WeakPolarHBondContact O-CG1 3.44Å; D87-I91 PolarHBondContact O-N 3.47Å
88F71.9Confident63.7Low115 Ų115104.8 Ų104.850%0.50455%0.549SS..Hα-helixtrans-58.2-45.2171.6-96.6-73.5000112.1L84 S90 I91 F92L84-F88 HydrophobicContact CD1-CD2 4.01Å; L84-F88 HydrophobicContact CD1-CE2 3.9Å; L84-F88 HydrophobicContact CG-CD2 4.17Å; L84-F88 HydrophobicContact CG-CE2 4.31Å; L84-F88 WeakPolarHBondContact O-CD2 3.22Å; L84-F88 PolarHBondContact O-N 3.2Å; F88-S90 VanDerWaalsContact C-N 3.33Å; F88-S90 PolarHBondContact O-N 3.03Å; F88-I91 PolarHBondContact O-N 3.3Å; F88-F92 HydrophobicContact CD1-CE2 4.14Å; F88-F92 VanDerWaalsContact O-CD2 3.22Å; F88-F92 WeakPolarHBondContact O-CD2 3.3Å; F88-F92 PolarHBondContact O-N 3.16Å
89N69.1Low63.5Low100 Ų100103.5 Ų103.554%0.53555%0.546SS..Hα-helixtrans-64-37.4176.1-78-65.3000112.2V85 R86 D87 F92 S93V85-N89 PolarHBondContact O-N 2.87Å; V85-N89 VanDerWaalsContact O-N 3.12Å; V85-N89 PolarHBondContact O-ND2 3.18Å; R86-N89 PolarHBondContact O-N 2.92Å; D87-N89 VanDerWaalsContact C-N 3.35Å; D87-N89 PolarHBondContact O-N 2.96Å; N89-F92 PolarHBondContact O-N 3.49Å; N89-S93 PolarHBondContact O-N 3.18Å; N89-S93 PolarHBondContact O-OG 3.38Å; N89-S93 VanDerWaalsContact O-OG 3.09Å
90S70.9Confident62.7Low66 Ų66102.3 Ų102.346%0.46255%0.546SS..Hα-helixtrans-60.4-45.9173.2-163.70000111.8R86 D87 F88 F92 S93 D94R86-S90 PolarHBondContact O-N 3.44Å; D87-S90 WeakPolarHBondContact O-CB 3.42Å; D87-S90 PolarHBondContact O-N 3.06Å; F88-S90 VanDerWaalsContact C-N 3.33Å; F88-S90 PolarHBondContact O-N 3.03Å; S90-F92 VanDerWaalsContact C-N 3.35Å; S90-F92 PolarHBondContact O-N 3.09Å; S90-S93 WeakPolarHBondContact O-CB 3.48Å; S90-S93 PolarHBondContact O-N 2.93Å; S90-D94 PolarHBondContact O-N 3.29Å
91I69.8Low61.7Low90 Ų90106.7 Ų106.746%0.46257%0.568SS.*Hα-helixtrans-61.4-41.8178.6-70.5161.7000111.2D87 F88 D94 M95D87-I91 WeakPolarHBondContact O-CD1 3.26Å; D87-I91 VanDerWaalsContact O-CG1 3.3Å; D87-I91 WeakPolarHBondContact O-CG1 3.44Å; D87-I91 PolarHBondContact O-N 3.47Å; F88-I91 PolarHBondContact O-N 3.3Å; I91-D94 PolarHBondContact O-N 3.05Å; I91-M95 HydrophobicContact CG2-CE 3.75Å; I91-M95 WeakPolarHBondContact O-CG 3.45Å; I91-M95 PolarHBondContact O-N 2.63Å
92F64.7Low60.9Low135 Ų135105.4 Ų105.459%0.59258%0.577SS**Hα-helixtrans-70.6-32.4175.1-79.4-70.2000113.4F88 N89 S90 M95 G96F88-F92 HydrophobicContact CD1-CE2 4.14Å; F88-F92 VanDerWaalsContact O-CD2 3.22Å; F88-F92 WeakPolarHBondContact O-CD2 3.3Å; F88-F92 PolarHBondContact O-N 3.16Å; N89-F92 PolarHBondContact O-N 3.49Å; S90-F92 VanDerWaalsContact C-N 3.35Å; S90-F92 PolarHBondContact O-N 3.09Å; F92-M95 HydrophobicContact CD1-CE 3.5Å; F92-M95 VanDerWaalsContact CD1-CE 3.5Å; F92-M95 HydrophobicContact CE1-CE 3.66Å; F92-M95 HydrophobicContact CG-CE 4.08Å; F92-M95 HydrophobicContact CZ-CE 4.37Å; F92-G96 PolarHBondContact O-N 2.88Å; F92-G96 VanDerWaalsContact O-N 3.16Å
93S66.7Low59.9Low89 Ų89106.5 Ų106.562%0.62258%0.578SS**Hα-helixtrans-64.1-44.1171.8-660000112.1N89 S90 G96N89-S93 PolarHBondContact O-N 3.18Å; N89-S93 PolarHBondContact O-OG 3.38Å; N89-S93 VanDerWaalsContact O-OG 3.09Å; S90-S93 WeakPolarHBondContact O-CB 3.48Å; S90-S93 PolarHBondContact O-N 2.93Å; S93-G96 PolarHBondContact O-N 2.88Å
94D61.9Low58.9Low113 Ų113107.9 Ų107.960%0.60459%0.591SS**Hα-helixtrans-66.6-40177.3-80.5-16.3000112.4S90 I91 G96 A97S90-D94 PolarHBondContact O-N 3.29Å; I91-D94 PolarHBondContact O-N 3.05Å; D94-G96 PolarHBondContact O-N 3.48Å; D94-A97 PolarHBondContact O-N 2.79Å
95M51.4Low57.2Low90 Ų90108.8 Ų108.844%0.44360%0.602SS.*Hα-helixtrans-65.9-23.1174.5-73.9-173-62.400113.4I91 F92 A97 W98I91-M95 HydrophobicContact CG2-CE 3.75Å; I91-M95 WeakPolarHBondContact O-CG 3.45Å; I91-M95 PolarHBondContact O-N 2.63Å; F92-M95 HydrophobicContact CD1-CE 3.5Å; F92-M95 VanDerWaalsContact CD1-CE 3.5Å; F92-M95 HydrophobicContact CE1-CE 3.66Å; F92-M95 HydrophobicContact CG-CE 4.08Å; F92-M95 HydrophobicContact CZ-CE 4.37Å; M95-A97 PolarHBondContact O-N 2.9Å; M95-W98 PolarHBondContact O-N 3.46Å; M95-W98 VanDerWaalsContact O-N 3.14Å
96G54.5Low55.6Low49 Ų49110.6 Ų110.651%0.50562%0.623SS.*THydrogen-bonded Turntrans-61.2-21.3173.600000114.1F92 S93 D94F92-G96 PolarHBondContact O-N 2.88Å; F92-G96 VanDerWaalsContact O-N 3.16Å; S93-G96 PolarHBondContact O-N 2.88Å; D94-G96 PolarHBondContact O-N 3.48Å
97A55Low53.8Low77 Ų77109.5 Ų109.564%0.63663%0.628SS**THydrogen-bonded Turntrans-85.6-12.6176.800000114.3D94 M95D94-A97 PolarHBondContact O-N 2.79Å; M95-A97 PolarHBondContact O-N 2.9Å
98W48.2Very low52.3Low232 Ų232111.8 Ų111.888%0.87965%0.645SS**THydrogen-bonded Turntrans-102.2-8.8-172.4-72.965.1000114.2M95M95-W98 PolarHBondContact O-N 3.46Å; M95-W98 VanDerWaalsContact O-N 3.14Å
99T50.3Low50.5Low112 Ų112110.9 Ų110.969%0.68765%0.653SS**SBendtrans-993.5-175.855.60000114.7
100L41.9Very low48.8Very low125 Ų125114 Ų11465%0.65466%0.664SS**  trans-137.7122.3173.9-71.1173.8000111.5S102L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 2.69Å
101P39.5Very low47.1Very low130 Ų130119.4 Ų119.484%0.84469%0.686SS**  trans-7487.2164.630.2-30.9000109.2H103P101-H103 PolarHBondContact O-N 3.23Å; P101-H103 VanDerWaalsContact O-N 3.1Å
102S47.6Very low45.7Very low112 Ų112121 Ų12178%0.78371%0.706SS**  trans-81.127.8-173.453.50000115L100L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 2.69Å
103H41.8Very low44.4Very low141 Ų141119 Ų11965%0.65371%0.714SS**  trans-159.1114.3169.1-157.765.9000113.9P101P101-H103 PolarHBondContact O-N 3.23Å; P101-H103 VanDerWaalsContact O-N 3.1Å
104P43.5Very low42.8Very low107 Ų107123.7 Ų123.770%0.69573%0.726SS**  trans-76.2134.1150.831.6-29.5000108.8A106P104-A106 PolarHBondContact O-N 2.92Å
105P38.6Very low41.9Very low108 Ų108126.2 Ų126.270%0.70174%0.739SS**  trans-66.2106.9179.726.6-33.6000110.7N107P105-N107 PolarHBondContact O-N 3.34Å; P105-N107 VanDerWaalsContact O-N 3.15Å
106A37.8Very low41.3Very low96 Ų96127.7 Ų127.779%0.79376%0.755SS**  trans-83.383176.500000110.9P104P104-A106 PolarHBondContact O-N 2.92Å
107N37.6Very low40.1Very low126 Ų126128.4 Ų128.467%0.67476%0.762SS**  trans-123.8116.7157.861.9-23.9000111.5P105P105-N107 PolarHBondContact O-N 3.34Å; P105-N107 VanDerWaalsContact O-N 3.15Å
108T35.5Very low40.4Very low134 Ų134130 Ų13082%0.82277%0.766SS**SBendtrans70.2133.3-174.177.60000114.9
109C34.2Very low39.7Very low97 Ų97127.6 Ų127.666%0.65577%0.765SS**  cis-159.6136.3-12.7-116.50000110.5
110H33.4Very low39Very low166 Ų166127.4 Ų127.477%0.76977%0.768SS**  trans48.8108.8160.9-52-72.3000119.4
111L34.7Very low39.1Very low178 Ų178130.5 Ų130.593%0.93278%0.779SS**  -175.4135.297.2-93.4164.2000110.5
112S40.7Very low38.8Very low125 Ų125130.3 Ų130.387%0.87478%0.776SS**  trans-89.8131.7174.6-53.60000111
113A37.1Very low38.7Very low92 Ų92131.5 Ų131.576%0.7678%0.781SS**  trans-170.1100.4151.600000105.5
114E33.1Very low38.8Very low187 Ų187128.3 Ų128.387%0.87479%0.786SS**  57.6105.875.3-160.5166.5-174.200111.7P116E114-P116 WeakPolarHBondContact O-CD 3.22Å
115L43.7Very low38.5Very low167 Ų167131 Ų13187%0.87479%0.789SS**  trans-70.8135.2179.1-113.6156000110.4
116P39.5Very low38.9Very low120 Ų120137.9 Ų137.978%0.77980%0.801SS**  trans-145.1130131.535.1-20000115E114E114-P116 WeakPolarHBondContact O-CD 3.22Å
117G29.1Very low39.2Very low65 Ų65139.9 Ų139.967%0.6780%0.798SS**  trans72.8169.814200000119.7
118P61.2Low40.2Very low111 Ų111142.2 Ų142.272%0.72180%0.797SS**  trans-128.894.5-162.136.2-15.5000113.3
119E33.2Very low41.1Very low180 Ų180145.5 Ų145.584%0.84180%0.803SS**  trans-144.9154.3-179.2-49.5-69.5162.400113.4
120S35.9Very low42.3Very low108 Ų108142.8 Ų142.876%0.75579%0.792SS**  trans73.6108.7159.5-156.60000120.3
121E42.7Very low43.5Very low190 Ų190140.6 Ų140.689%0.88878%0.782SS**  trans-59.6146.4151-56.8174.5123.200111.2
122T33.7Very low45.3Very low126 Ų126135.7 Ų135.777%0.77376%0.759SS**  trans-142.2135.1150.150.60000110
123P46.7Very low46.5Very low138 Ų138136.6 Ų136.690%0.89675%0.754SS**  trans-95.4112.1-171.334.3-31000111.7
124G42.5Very low48.3Very low73 Ų73142.2 Ų142.275%0.75376%0.755SS**  trans168.942.9175.100000121
125E37.5Very low50Low164 Ų164135.2 Ų135.277%0.76672%0.723SS**  trans-158.9111.3146.9-118.6174.1173.200111.4L127E125-L127 HydrophobicContact CB-CD1 4.46Å; E125-L127 HydrophobicContact CB-CG 4.49Å; E125-L127 PolarHBondContact O-N 3.02Å
126R46.5Very low51.2Low253 Ų253131.9 Ų131.996%0.95571%0.714SS**  trans-78.771.5169.7-72.8-171.917897.6-1.1109.2R128R126-R128 PolarHBondContact O-N 3.44Å
127L44.7Very low53Low138 Ų138133.6 Ų133.672%0.72371%0.714SS**  trans-70.171.2177.2-104.1164.7000111.3E125 E129E125-L127 HydrophobicContact CB-CD1 4.46Å; E125-L127 HydrophobicContact CB-CG 4.49Å; E125-L127 PolarHBondContact O-N 3.02Å; L127-E129 VanDerWaalsContact C-N 3.27Å; L127-E129 PolarHBondContact O-N 3.04Å
128R59.1Low55.3Low174 Ų174135 Ų13566%0.65771%0.706SS**  trans31.754.1165.5-69.3-159.963.6-151.6-10.3116.1R126 G130 Q131R126-R128 PolarHBondContact O-N 3.44Å; R128-G130 PolarHBondContact O-N 3.01Å; R128-Q131 HydrophobicContact CB-CG 4.37Å; R128-Q131 VanDerWaalsContact NH2-CD 3.31Å; R128-Q131 PolarHBondContact O-N 3.45Å
129E54.5Low55.8Low204 Ų204138.9 Ų138.995%0.95371%0.711SS**THydrogen-bonded Turntrans-61121.4170.6-150.6160-156.400108.5L127L127-E129 VanDerWaalsContact C-N 3.27Å; L127-E129 PolarHBondContact O-N 3.04Å
130G58.7Low57.3Low40 Ų40136.8 Ų136.841%0.41270%0.696SS.*THydrogen-bonded Turntrans117.87.3-168.100000116.2R128 D135R128-G130 PolarHBondContact O-N 3.01Å; G130-D135 VanDerWaalsContact CA-OD2 3.3Å; G130-D135 WeakPolarHBondContact CA-OD2 2.99Å
131Q59.2Low58.3Low120 Ų120136.5 Ų136.556%0.56169%0.692SS**  trans-96.58.9171.2-69.9-157.2-10300114.5R128R128-Q131 HydrophobicContact CB-CG 4.37Å; R128-Q131 VanDerWaalsContact NH2-CD 3.31Å; R128-Q131 PolarHBondContact O-N 3.45Å
132T72.4Confident58.8Low75 Ų75134.2 Ų134.246%0.4669%0.686SS.*SBendtrans-72.6154.5174.680.40000110.2R134 D135 S136T132-R134 PolarHBondContact O-N 3.17Å; T132-R134 PolarHBondContact OG1-N 3.12Å; T132-D135 VanDerWaalsContact CB-OD2 3.28Å; T132-D135 WeakPolarHBondContact CB-OD2 3.49Å; T132-D135 WeakPolarHBondContact CG2-OD2 3.23Å; T132-D135 PolarHBondContact N-OD2 2.81Å; T132-D135 VanDerWaalsContact N-OD2 3.11Å; T132-D135 PolarHBondContact O-N 3.42Å; T132-D135 PolarHBondContact OG1-N 3.04Å; T132-D135 PolarHBondContact OG1-OD1 3.48Å; T132-D135 PolarHBondContact OG1-OD2 3.18Å; T132-S136 PolarHBondContact O-N 3.32Å; T132-S136 PolarHBondContact O-OG 2.74Å
133L66.1Low59.9Low144 Ų144132.1 Ų132.175%0.75468%0.676SS**Hα-helixtrans-62.9-25.7178.2-156.1147.4000111.4M137L133-M137 WeakPolarHBondContact O-CG 3.37Å; L133-M137 PolarHBondContact O-N 3.19Å
134R75.4Confident60Low210 Ų210133.2 Ų133.279%0.79267%0.669SS**Hα-helixtrans-66.7-46.7170.8-67.1-179.6178.5161.4-0.2111.8T132 S136 M137 L138T132-R134 PolarHBondContact O-N 3.17Å; T132-R134 PolarHBondContact OG1-N 3.12Å; R134-S136 PolarHBondContact O-N 2.84Å; R134-M137 PolarHBondContact O-N 2.88Å; R134-L138 PolarHBondContact O-N 3.16Å; R134-L138 VanDerWaalsContact O-N 3.1Å
135D68.4Low60.1Low39 Ų39137.9 Ų137.921%0.20967%0.671CS.*Hα-helixtrans-65.2-31.5179.4-49.2-38.3000111.8G130 T132 M137 L138G130-D135 VanDerWaalsContact CA-OD2 3.3Å; G130-D135 WeakPolarHBondContact CA-OD2 2.99Å; T132-D135 VanDerWaalsContact CB-OD2 3.28Å; T132-D135 WeakPolarHBondContact CB-OD2 3.49Å; T132-D135 WeakPolarHBondContact CG2-OD2 3.23Å; T132-D135 PolarHBondContact N-OD2 2.81Å; T132-D135 VanDerWaalsContact N-OD2 3.11Å; T132-D135 PolarHBondContact O-N 3.42Å; T132-D135 PolarHBondContact OG1-N 3.04Å; T132-D135 PolarHBondContact OG1-OD1 3.48Å; T132-D135 PolarHBondContact OG1-OD2 3.18Å; D135-M137 VanDerWaalsContact C-N 3.29Å; D135-M137 PolarHBondContact O-N 3.04Å; D135-L138 PolarHBondContact O-N 2.79Å
136S69.1Low60.4Low97 Ų97134.9 Ų134.968%0.67867%0.666SS**Hα-helixtrans-72.5-19.1174.2-58.30000113.7T132 R134T132-S136 PolarHBondContact O-N 3.32Å; T132-S136 PolarHBondContact O-OG 2.74Å; R134-S136 PolarHBondContact O-N 2.84Å
137M76.6Confident60.3Low156 Ų156135.1 Ų135.177%0.76867%0.667SS**Hα-helixtrans-92.2-12169.3-58.4-143.1-41.900113.1L133 R134 D135 K139L133-M137 WeakPolarHBondContact O-CG 3.37Å; L133-M137 PolarHBondContact O-N 3.19Å; R134-M137 PolarHBondContact O-N 2.88Å; D135-M137 VanDerWaalsContact C-N 3.29Å; D135-M137 PolarHBondContact O-N 3.04Å; M137-K139 PolarHBondContact O-N 2.81Å
138L76.8Confident60.4Low96 Ų96134.5 Ų134.550%0.50366%0.663SS.*SBendtrans-78.7106.9174.8-82.8160.3000109.7R134 D135 Y140R134-L138 PolarHBondContact O-N 3.16Å; R134-L138 VanDerWaalsContact O-N 3.1Å; D135-L138 PolarHBondContact O-N 2.79Å; L138-Y140 HydrophobicContact CB-CE2 3.92Å; L138-Y140 VanDerWaalsContact O-CD2 3.22Å; L138-Y140 WeakPolarHBondContact O-CD2 3.37Å; L138-Y140 PolarHBondContact O-N 3.15Å
139K71.1Confident59.4Low191 Ų191135.9 Ų135.983%0.8367%0.674SS**  trans-75.292.5179.8-172.6178.4179.41800111M137M137-K139 PolarHBondContact O-N 2.81Å
140Y65.6Low58.3Low136 Ų136130.3 Ų130.353%0.53367%0.671SS.*  trans-74.2133168.4-62.8-84000110.7L138 D142 S143L138-Y140 HydrophobicContact CB-CE2 3.92Å; L138-Y140 VanDerWaalsContact O-CD2 3.22Å; L138-Y140 WeakPolarHBondContact O-CD2 3.37Å; L138-Y140 PolarHBondContact O-N 3.15Å; Y140-D142 PolarHBondContact O-N 2.95Å; Y140-S143 PolarHBondContact O-N 2.92Å; Y140-S143 PolarHBondContact O-OG 3Å
141P56.6Low57Low102 Ų102131.4 Ų131.466%0.66268%0.683SS**G310 helixtrans-64-27.3-178.225.3-34000113.3S143P141-S143 VanDerWaalsContact C-N 3.35Å; P141-S143 PolarHBondContact O-N 3.44Å
142D53.7Low55.7Low142 Ų142132.4 Ų132.476%0.75970%0.697SS**G310 helixtrans-92.49.6-173.2-53.2-34.6000113.7Y140 H144Y140-D142 PolarHBondContact O-N 2.95Å; D142-H144 PolarHBondContact O-N 3.23Å; D142-H144 VanDerWaalsContact O-N 3.11Å
143S57.7Low54.2Low83 Ų83136.7 Ų136.758%0.5872%0.716SS**G310 helixtrans-66.8-6.8177.752.20000114.2Y140 P141 Q145Y140-S143 PolarHBondContact O-N 2.92Å; Y140-S143 PolarHBondContact O-OG 3Å; P141-S143 VanDerWaalsContact C-N 3.35Å; P141-S143 PolarHBondContact O-N 3.44Å; S143-Q145 VanDerWaalsContact C-N 3.34Å; S143-Q145 PolarHBondContact O-N 3.12Å; S143-Q145 VanDerWaalsContact O-N 3.13Å
144H48.6Very low53.1Low161 Ų161138.7 Ų138.775%0.74572%0.722SS**  trans-8563.3175.8-65-61.8000113.3D142D142-H144 PolarHBondContact O-N 3.23Å; D142-H144 VanDerWaalsContact O-N 3.11Å
145Q44.4Very low51.2Low170 Ų170134.2 Ų134.279%0.79472%0.723SS**  trans-118.1107.6159.7-72.5-161.1-10.700110.4S143 R147S143-Q145 VanDerWaalsContact C-N 3.34Å; S143-Q145 PolarHBondContact O-N 3.12Å; S143-Q145 VanDerWaalsContact O-N 3.13Å; Q145-R147 PolarHBondContact O-N 3.41Å
146P43.9Very low49.4Very low101 Ų101140.4 Ų140.466%0.65676%0.755SS**  trans-70.1118.3173.730.9-33.2000108.4I148P146-I148 HydrophobicContact CB-CD1 4.16Å; P146-I148 HydrophobicContact CB-CG1 4Å; P146-I148 HydrophobicContact CG-CD1 3.88Å; P146-I148 HydrophobicContact CG-CG1 4.2Å; P146-I148 PolarHBondContact O-N 2.83Å
147R44.1Very low48Very low258 Ų258139.1 Ų139.197%0.97476%0.758SS**  trans-69.783.6170-85.6-172.3174.2-167.9-1.7109.8Q145 F149Q145-R147 PolarHBondContact O-N 3.41Å; R147-F149 PolarHBondContact O-N 3.17Å
148I45.8Very low45.9Very low126 Ų126141.6 Ų141.665%0.64676%0.758SS**  trans-82.2103.8176.9-69.9175.4000108.5P146P146-I148 HydrophobicContact CB-CD1 4.16Å; P146-I148 HydrophobicContact CB-CG1 4Å; P146-I148 HydrophobicContact CG-CD1 3.88Å; P146-I148 HydrophobicContact CG-CG1 4.2Å; P146-I148 PolarHBondContact O-N 2.83Å
149F39.2Very low44.3Very low203 Ų203143.1 Ų143.189%0.8978%0.777SS**  trans68147167.2-60.8-65.4000120.9R147R147-F149 PolarHBondContact O-N 3.17Å
150G31.1Very low42.5Very low86 Ų86140.8 Ų140.889%0.88777%0.769SS**  trans17948.8176.700000114
151G31.5Very low41.6Very low64 Ų64139.3 Ų139.366%0.6678%0.779SS**  trans155.5112.4164.400000118.4
152V31.7Very low40.9Very low141 Ų141140.4 Ų140.486%0.85579%0.786SS**  trans64.1112.1142.4-172.10000116.6
153L40.5Very low40.7Very low165 Ų165143.1 Ų143.186%0.86479%0.791SS**  cis-167159.131.5-165.377.2000108.9
154E42.6Very low40.3Very low186 Ų186144.8 Ų144.887%0.86980%0.8SS**  trans-81.3140.9177-59.5173.9117.700113.7
155S35.7Very low40.5Very low116 Ų116141.2 Ų141.281%0.81180%0.798SS**  trans-159.998147.966.30000112.7
156D31.4Very low41Very low168 Ų168137.8 Ų137.890%0.89879%0.791SS**  trans42117.9140.2-146.22.4000122
157G39.3Very low41.4Very low70 Ų70138.4 Ų138.472%0.72279%0.789SS**  78.345.1116.400000121.7
158R31.8Very low41.8Very low208 Ų208137.5 Ų137.579%0.78579%0.785SS**  trans-156.3135.7151.3-138.8175.4-173.3-164.59.1115.5E160R158-E160 HydrophobicContact CB-CG 4.48Å; R158-E160 WeakPolarHBondContact CD-OE1 3.24Å; R158-E160 HydrophobicContact CG-CG 4.47Å; R158-E160 IonicContact CZ-OE1 3.86Å; R158-E160 IonicContact NH1-OE1 3.74Å; R158-E160 PolarHBondContact NH1-OE1 2.92Å; R158-E160 PolarHBondContact O-N 2.93Å
159S45.1Very low42.1Very low128 Ų128134.8 Ų134.890%0.89579%0.788SS**  trans-71.4101.3164.8-54.70000109.7
160E33.1Very low42.8Very low143 Ų143129 Ų12967%0.66877%0.773SS**  trans-121.4156.1169.7-73.9-174.4175.700111.1R158R158-E160 HydrophobicContact CB-CG 4.48Å; R158-E160 WeakPolarHBondContact CD-OE1 3.24Å; R158-E160 HydrophobicContact CG-CG 4.47Å; R158-E160 IonicContact CZ-OE1 3.86Å; R158-E160 IonicContact NH1-OE1 3.74Å; R158-E160 PolarHBondContact NH1-OE1 2.92Å; R158-E160 PolarHBondContact O-N 2.93Å
161S45.1Very low43.8Very low104 Ų104133.3 Ų133.373%0.72777%0.77SS**PPolyproline II helixtrans-63.4158.8-160.439.80000115K163S161-K163 PolarHBondContact O-N 3.44Å; S161-K163 VanDerWaalsContact O-N 3.12Å
162P43.1Very low44.8Very low126 Ų126138.6 Ų138.682%0.81877%0.77SS**PPolyproline II helixtrans-58.4120.9171.625.1-33.8000110.1
163K49Very low46.1Very low198 Ų198137 Ų13786%0.86176%0.763SS**PPolyproline II helixtrans-52.3131.2174.5-117.2169179.7167.80109.6S161S161-K163 PolarHBondContact O-N 3.44Å; S161-K163 VanDerWaalsContact O-N 3.12Å
164P49.6Very low46.5Very low118 Ų118135.8 Ų135.877%0.76675%0.751SS**PPolyproline II helixtrans-61.3147.7167.427.8-33.1000109.3
165A52.4Low47.1Very low87 Ų87133.9 Ų133.972%0.71974%0.741SS**PPolyproline II helixtrans-58.2150.4174.900000110.5D167A165-D167 PolarHBondContact O-N 3.24Å
166P54Low47.8Very low98 Ų98139.3 Ų139.364%0.63674%0.744SS**PPolyproline II helixtrans-54.7131.3174.8-23.433.3000110.9W168P166-W168 PolarHBondContact O-N 2.88Å
167D54.2Low48.9Very low114 Ų114137.9 Ų137.961%0.6173%0.73SS**  trans-67.493.9174.7172.315.2000109.9A165 G169 S170A165-D167 PolarHBondContact O-N 3.24Å; D167-G169 VanDerWaalsContact C-N 3.26Å; D167-G169 WeakPolarHBondContact OD1-CA 3.07Å; D167-G169 PolarHBondContact OD1-N 3.32Å; D167-S170 VanDerWaalsContact CG-OG 3.26Å; D167-S170 PolarHBondContact OD1-N 3.3Å; D167-S170 VanDerWaalsContact OD1-N 3.11Å; D167-S170 PolarHBondContact OD1-OG 3.33Å; D167-S170 VanDerWaalsContact OD2-CB 3.26Å; D167-S170 WeakPolarHBondContact OD2-CB 3.23Å; D167-S170 PolarHBondContact OD2-OG 2.84Å
168W51.5Low49.8Very low239 Ų239139.4 Ų139.491%0.90572%0.722SS**  trans-87.18.3168.1-65.8101.8000112.5P166P166-W168 PolarHBondContact O-N 2.88Å
169G51.6Low50.9Low68 Ų68137.1 Ų137.170%0.70173%0.725SS**SBendtrans-97-21.2-173.200000115.1D167D167-G169 VanDerWaalsContact C-N 3.26Å; D167-G169 WeakPolarHBondContact OD1-CA 3.07Å; D167-G169 PolarHBondContact OD1-N 3.32Å
170S55Low51.3Low83 Ų83137.2 Ų137.258%0.5871%0.714SS**SBendtrans-100.1-7.8-17161.70000116.4D167D167-S170 VanDerWaalsContact CG-OG 3.26Å; D167-S170 PolarHBondContact OD1-N 3.3Å; D167-S170 VanDerWaalsContact OD1-N 3.11Å; D167-S170 PolarHBondContact OD1-OG 3.33Å; D167-S170 VanDerWaalsContact OD2-CB 3.26Å; D167-S170 WeakPolarHBondContact OD2-CB 3.23Å; D167-S170 PolarHBondContact OD2-OG 2.84Å
171Q52.5Low52.2Low176 Ų176140.7 Ų140.782%0.82272%0.721SS**  trans-10386.3173.1-70.8-160.2-18.200112.7P173Q171-P173 VanDerWaalsContact O-CD 3.3Å; Q171-P173 WeakPolarHBondContact O-CD 3.28Å
172R52.4Low52.8Low175 Ų175141 Ų14166%0.6672%0.721SS**  trans-76.7115157.5-79.1-172.7177-161.50.8109F174R172-F174 PolarHBondContact O-N 2.87Å
173P58.5Low53.5Low107 Ų107141 Ų14170%0.69572%0.718SS**SBendtrans-76-4.4-180-13.730.6000113.9Q171Q171-P173 VanDerWaalsContact O-CD 3.3Å; Q171-P173 WeakPolarHBondContact O-CD 3.28Å
174F48.1Very low53.9Low140 Ų140137.8 Ų137.861%0.61471%0.711SS**  trans-134.856.5-161.2-60.2-63.4000114.1R172 R176 F177R172-F174 PolarHBondContact O-N 2.87Å; F174-R176 PolarHBondContact O-N 2.99Å; F174-F177 HydrophobicContact CB-CD2 4.19Å; F174-F177 HydrophobicContact CD1-CD2 4.43Å; F174-F177 HydrophobicContact CD1-CE2 4.12Å
175H56Low54.3Low146 Ų146137.4 Ų137.468%0.67671%0.708SS**THydrogen-bonded Turntrans-72.537.3169.7-84.5-60.3000114
176R50.6Low54.4Low229 Ų229138.7 Ų138.786%0.86470%0.699SS**THydrogen-bonded Turntrans-140.112-177.7-87.4-157.6-87.2-157.5-4.7115.6F174F174-R176 PolarHBondContact O-N 2.99Å
177F54.3Low54.5Low138 Ų138140.3 Ų140.361%0.60571%0.709SS**  trans-125.616.6179.1-64.4-64.9000114.1F174 D179F174-F177 HydrophobicContact CB-CD2 4.19Å; F174-F177 HydrophobicContact CD1-CD2 4.43Å; F174-F177 HydrophobicContact CD1-CE2 4.12Å; F177-D179 VanDerWaalsContact C-N 3.35Å; F177-D179 PolarHBondContact O-N 3.2Å
178D57Low54.6Low102 Ų102143.9 Ų143.955%0.54571%0.714SS.*SBendtrans-78.8-12.4-178-67.2-55.6000113.7
179D56.2Low55.2Low160 Ų160139 Ų13986%0.85671%0.711SS**SBendtrans-117.236-168.8-66.3-37.6000116F177F177-D179 VanDerWaalsContact C-N 3.35Å; F177-D179 PolarHBondContact O-N 3.2Å
180I53Low55.8Low131 Ų131147.4 Ų147.467%0.67272%0.722SS**SBendtrans-127.8-3.5178.1-42.7178.9000113.6
181W52.7Low56.7Low215 Ų215150.5 Ų150.581%0.81473%0.727SS**SBendtrans-93.7129.9171.8-62.8109.4000110.1V183W181-V183 PolarHBondContact O-N 3.27Å
182P57.2Low57.6Low110 Ų110147.6 Ų147.671%0.71472%0.717SS**  trans-6299.7168.4-17.830.7000108.9D184P182-D184 VanDerWaalsContact C-N 3.29Å; P182-D184 PolarHBondContact O-N 3.22Å
183V58.7Low58.8Low127 Ų127145 Ų14577%0.7772%0.717SS**  trans-7393.7164.41760000106W181 P185W181-V183 PolarHBondContact O-N 3.27Å; V183-P185 VanDerWaalsContact O-CD 3.23Å; V183-P185 WeakPolarHBondContact O-CD 3.23Å; V183-P185 VanDerWaalsContact O-N 3.12Å
184D57Low59.9Low131 Ų131142 Ų14270%0.70169%0.694SS**  trans-54.5116171-82.2-43.4000108.9P182 H186P182-D184 VanDerWaalsContact C-N 3.29Å; P182-D184 PolarHBondContact O-N 3.22Å; D184-H186 PolarHBondContact O-N 3.39Å
185P57.5Low61.4Low110 Ų110141.5 Ų141.571%0.71470%0.698SS**SBendtrans-82.654.6-174.835-36000110.5V183V183-P185 VanDerWaalsContact O-CD 3.23Å; V183-P185 WeakPolarHBondContact O-CD 3.23Å; V183-P185 VanDerWaalsContact O-N 3.12Å
186H53.6Low62.7Low114 Ų114139.7 Ų139.753%0.52869%0.693SS.*  trans-134.1103.6173.2-71.390.7000109.2D184 R188D184-H186 PolarHBondContact O-N 3.39Å; H186-R188 HydrophobicContact CB-CG 4.27Å; H186-R188 PolarHBondContact O-N 3.36Å
187P56.2Low64.2Low131 Ų131130.8 Ų130.885%0.85167%0.665SS**  trans-71.364.115833.9-34.5000108.5T189P187-T189 PolarHBondContact O-N 3.49Å
188R57.1Low65.4Low189 Ų189128.4 Ų128.471%0.71366%0.656SS**  trans-61.6116.8150.5-70.1-176.2-173.6123.65.9103.8H186 R190H186-R188 HydrophobicContact CB-CG 4.27Å; H186-R188 PolarHBondContact O-N 3.36Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R188-R190 PolarHBondContact O-N 3.03Å
189T63.9Low66.5Low136 Ų136125.8 Ų125.883%0.83464%0.644SS**  trans-47.8105.8165.842.20000106.4P187 E191P187-T189 PolarHBondContact O-N 3.49Å; T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 3.37Å
190R65.4Low67.7Low246 Ų246123.1 Ų123.193%0.92864%0.638SS**  trans-64.3101.7171.1-75.4-175.4177.4-176.4-1.1104.2R188 D192R188-R190 VanDerWaalsContact C-N 3.34Å; R188-R190 PolarHBondContact O-N 3.03Å; R190-D192 PolarHBondContact O-N 3.19Å; R190-D192 VanDerWaalsContact O-N 3.15Å
191E72.4Confident69Low147 Ų147124.2 Ų124.269%0.68764%0.64SS**  trans-58.7116.7168.1-174.9162.2-148.400105.5T189 N193T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 3.37Å; E191-N193 PolarHBondContact O-N 3.21Å; E191-N193 PolarHBondContact O-ND2 2.81Å
192D72.8Confident70.4Confident116 Ų116120.4 Ų120.462%0.6263%0.631SS**  trans-68.8104.6-179.9-139.7-27.3000106R190 D194R190-D192 PolarHBondContact O-N 3.19Å; R190-D192 VanDerWaalsContact O-N 3.15Å; D192-D194 PolarHBondContact O-N 3.49Å
193N77.2Confident71.5Confident121 Ų121116.6 Ų116.665%0.64761%0.612SS**  trans-84.743.5178.2-79.9-102.5000108.6E191E191-N193 PolarHBondContact O-N 3.21Å; E191-N193 PolarHBondContact O-ND2 2.81Å
194D82Confident72.5Confident42 Ų42115.2 Ų115.223%0.22560%0.6CS.*  trans-79.1157.6174.163.123000110.5D192 D196 S197 Q198D192-D194 PolarHBondContact O-N 3.49Å; D194-D196 VanDerWaalsContact C-N 3.3Å; D194-D196 WeakPolarHBondContact CB-OD1 3.29Å; D194-D196 VanDerWaalsContact CG-OD1 3.29Å; D194-S197 WeakPolarHBondContact OD1-CA 3.3Å; D194-S197 WeakPolarHBondContact OD1-CB 3.38Å; D194-S197 PolarHBondContact OD1-N 2.96Å; D194-S197 PolarHBondContact OD1-OG 3.41Å; D194-Q198 PolarHBondContact O-N 3.47Å
195L79.8Confident73.4Confident131 Ų131111 Ų11169%0.68659%0.587SS**Hα-helixtrans-74.4-26.6-173.4-68.1171000111.4Q198 V199L195-Q198 PolarHBondContact O-N 3.32Å; L195-V199 WeakPolarHBondContact O-CB 3.49Å; L195-V199 VanDerWaalsContact O-CG2 3.23Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.22Å
196D81.5Confident74Confident108 Ų108108.5 Ų108.558%0.57857%0.571SS**Hα-helixtrans-73.7-31.4177.544.2-47000113.2D194 S200D194-D196 VanDerWaalsContact C-N 3.3Å; D194-D196 WeakPolarHBondContact CB-OD1 3.29Å; D194-D196 VanDerWaalsContact CG-OD1 3.29Å; D196-S200 VanDerWaalsContact O-CB 3.24Å; D196-S200 WeakPolarHBondContact O-CB 3.3Å; D196-S200 PolarHBondContact O-N 3.25Å; D196-S200 PolarHBondContact O-OG 2.67Å
197S83.8Confident74.6Confident41 Ų41107.2 Ų107.229%0.28757%0.571SS.*Hα-helixtrans-64.9-45.1167.5-66.50000111.5D194 S200 Q201D194-S197 WeakPolarHBondContact OD1-CA 3.3Å; D194-S197 WeakPolarHBondContact OD1-CB 3.38Å; D194-S197 PolarHBondContact OD1-N 2.96Å; D194-S197 PolarHBondContact OD1-OG 3.41Å; S197-S200 PolarHBondContact O-N 3.35Å; S197-Q201 WeakPolarHBondContact O-CG 3.42Å; S197-Q201 PolarHBondContact O-N 3.49Å
198Q78.1Confident75.4Confident89 Ų89107.1 Ų107.142%0.41656%0.562SS.*Hα-helixtrans-62.2-47.1176.8-67.2-178.7-2.800111.8D194 L195 S200 Q201 E202D194-Q198 PolarHBondContact O-N 3.47Å; L195-Q198 PolarHBondContact O-N 3.32Å; Q198-S200 VanDerWaalsContact C-N 3.26Å; Q198-S200 PolarHBondContact O-N 3.5Å; Q198-Q201 PolarHBondContact O-N 2.7Å; Q198-E202 PolarHBondContact O-N 3.01Å
199V80.6Confident76.3Confident47 Ų47104.4 Ų104.429%0.28556%0.558SS.*Hα-helixtrans-64-29.8176.3169.30000112.2L195 G203 L204 V207L195-V199 WeakPolarHBondContact O-CB 3.49Å; L195-V199 VanDerWaalsContact O-CG2 3.23Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.22Å; V199-G203 WeakPolarHBondContact O-CA 3.45Å; V199-G203 PolarHBondContact O-N 3.26Å; V199-L204 HydrophobicContact CG1-CD2 3.67Å; V199-L204 HydrophobicContact CG1-CG 4.04Å; V199-L204 HydrophobicContact CG2-CD2 3.97Å; V199-V207 HydrophobicContact CG2-CG2 4.1Å
200S81.1Confident76.7Confident103 Ų103103.5 Ų103.572%0.7255%0.554SS**Hα-helixtrans-76.9-30.2176.3-60.90000113.3D196 S197 Q198D196-S200 VanDerWaalsContact O-CB 3.24Å; D196-S200 WeakPolarHBondContact O-CB 3.3Å; D196-S200 PolarHBondContact O-N 3.25Å; D196-S200 PolarHBondContact O-OG 2.67Å; S197-S200 PolarHBondContact O-N 3.35Å; Q198-S200 VanDerWaalsContact C-N 3.26Å; Q198-S200 PolarHBondContact O-N 3.5Å
201Q80.6Confident77.1Confident155 Ų15597.7 Ų97.772%0.72454%0.538SS*.Hα-helixtrans-87.6-46.1-179.9-67.8-179.425.500112.8S197 Q198S197-Q201 WeakPolarHBondContact O-CG 3.42Å; S197-Q201 PolarHBondContact O-N 3.49Å; Q198-Q201 PolarHBondContact O-N 2.7Å
202E82.6Confident76.9Confident135 Ų13596.9 Ų96.963%0.63155%0.545SS*.Hα-helixtrans-101.2-13-175.1-56.4-167.1161.800113.6Q198 P206Q198-E202 PolarHBondContact O-N 3.01Å; E202-P206 HydrophobicContact CB-CG 4.11Å; E202-P206 WeakPolarHBondContact O-CD 3.4Å
203G79.7Confident76.6Confident29 Ų2997.2 Ų97.230%0.29954%0.541SS..  trans76.5178.9-172.600000113.2V199 G205V199-G203 WeakPolarHBondContact O-CA 3.45Å; V199-G203 PolarHBondContact O-N 3.26Å; G203-G205 PolarHBondContact O-N 3.27Å
204L78.9Confident76.3Confident99 Ų9994.3 Ų94.352%0.51853%0.53SS..Hα-helixtrans-73.2-10.1173.9-67.3173.2000113.3V199 V207 L208V199-L204 HydrophobicContact CG1-CD2 3.67Å; V199-L204 HydrophobicContact CG1-CG 4.04Å; V199-L204 HydrophobicContact CG2-CD2 3.97Å; L204-V207 PolarHBondContact O-N 3.13Å; L204-L208 HydrophobicContact CB-CD1 3.78Å; L204-L208 HydrophobicContact CB-CG 4.12Å; L204-L208 VanDerWaalsContact O-CB 3.28Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 3.43Å
205G76Confident75.8Confident43 Ų43101 Ų10144%0.44355%0.554SS.*Hα-helixtrans-58.7-47.8-173.500000114.5G203 Q209G203-G205 PolarHBondContact O-N 3.27Å; G205-Q209 WeakPolarHBondContact O-CG 3.34Å; G205-Q209 PolarHBondContact O-NE2 3.01Å
206P70.9Confident75.8Confident57 Ų57100.8 Ų100.837%0.3755%0.548SS..Hα-helixtrans-73.3-35.8174.6-22.236.6000113.1E202 Q209E202-P206 HydrophobicContact CB-CG 4.11Å; E202-P206 WeakPolarHBondContact O-CD 3.4Å; P206-Q209 PolarHBondContact O-N 3.35Å
207V65.4Low76.2Confident87 Ų87101.8 Ų101.853%0.52755%0.547SS..Hα-helixtrans-68.1-35.5-178.5-177.50000112.2V199 L204V199-V207 HydrophobicContact CG2-CG2 4.1Å; L204-V207 PolarHBondContact O-N 3.13Å
208L73Confident76.4Confident128 Ų128102.9 Ų102.967%0.6755%0.554SS**THydrogen-bonded Turntrans-83.4-8.3178.2-67.1174.9000113.7L204 P210L204-L208 HydrophobicContact CB-CD1 3.78Å; L204-L208 HydrophobicContact CB-CG 4.12Å; L204-L208 VanDerWaalsContact O-CB 3.28Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 3.43Å; L208-P210 WeakPolarHBondContact O-CD 3.44Å
209Q76.9Confident77.2Confident132 Ų132103.1 Ų103.162%0.61756%0.557SS**SBendtrans-76.1119.5173.3-82.7170.764.200109.5G205 P206 Q211G205-Q209 WeakPolarHBondContact O-CG 3.34Å; G205-Q209 PolarHBondContact O-NE2 3.01Å; P206-Q209 PolarHBondContact O-N 3.35Å; Q209-Q211 VanDerWaalsContact C-N 3.33Å; Q209-Q211 PolarHBondContact O-N 2.93Å
210P72.1Confident77.6Confident117 Ų117103.7 Ų103.776%0.7656%0.564SS**  trans-6896.1172.329-32.9000108.4L208L208-P210 WeakPolarHBondContact O-CD 3.44Å
211Q73.7Confident78.3Confident124 Ų124102.5 Ų102.558%0.57955%0.552SS**  trans-55.5134.9169.9-73.9-178.1-16.800108.9Q209 K213Q209-Q211 VanDerWaalsContact C-N 3.33Å; Q209-Q211 PolarHBondContact O-N 2.93Å; Q211-K213 HydrophobicContact CB-CG 4.21Å; Q211-K213 PolarHBondContact O-N 2.79Å
212P67.3Low79Confident131 Ų13198.8 Ų98.885%0.85154%0.54SS*.  trans-67.987.5172.628.5-33.6000108.9
213K68.2Low79.6Confident122 Ų12298.9 Ų98.953%0.5354%0.538SS..  trans-89134.9175.5-69.9172.5177173.90108.3Q211 Y215Q211-K213 HydrophobicContact CB-CG 4.21Å; Q211-K213 PolarHBondContact O-N 2.79Å; K213-Y215 HydrophobicContact CB-CE1 4.06Å; K213-Y215 HydrophobicContact CB-CE2 4.3Å; K213-Y215 WeakPolarHBondContact O-CD2 3.46Å; K213-Y215 VanDerWaalsContact O-CE2 3.23Å; K213-Y215 WeakPolarHBondContact O-CE2 3.42Å; K213-Y215 PolarHBondContact O-N 3.34Å
214S70.6Confident80.2Confident60 Ų60100.8 Ų100.842%0.4254%0.541SS..  trans-71.392.6174.3179.60000109.7F216 S240S214-F216 VanDerWaalsContact C-N 3.32Å; S214-F216 PolarHBondContact O-N 3.26Å; S214-F216 PolarHBondContact OG-O 2.77Å; S214-S240 VanDerWaalsContact CA-OG 3.26Å; S214-S240 WeakPolarHBondContact CA-OG 3.44Å; S214-S240 WeakPolarHBondContact CB-OG 3.41Å; S214-S240 PolarHBondContact OG-OG 3.06Å; S214-S240 VanDerWaalsContact OG-OG 3.08Å
215Y70.7Confident80.9Confident183 Ų183100.6 Ų100.672%0.71854%0.544SS*.  trans-72.8-20.6-173.5-65.5-73.2000114.3K213K213-Y215 HydrophobicContact CB-CE1 4.06Å; K213-Y215 HydrophobicContact CB-CE2 4.3Å; K213-Y215 WeakPolarHBondContact O-CD2 3.46Å; K213-Y215 VanDerWaalsContact O-CE2 3.23Å; K213-Y215 WeakPolarHBondContact O-CE2 3.42Å; K213-Y215 PolarHBondContact O-N 3.34Å
216F80.2Confident81.7Confident127 Ų127101.9 Ų101.956%0.55754%0.537SS*.  trans-132.9145.217671.6-94.5000111.9S214 S240S214-F216 VanDerWaalsContact C-N 3.32Å; S214-F216 PolarHBondContact O-N 3.26Å; S214-F216 PolarHBondContact OG-O 2.77Å; F216-S240 VanDerWaalsContact CD1-CB 3.47Å; F216-S240 VanDerWaalsContact CE1-CB 3.44Å; F216-S240 VanDerWaalsContact CZ-CA 3.45Å; F216-S240 PolarHBondContact O-N 2.73Å; F216-S240 VanDerWaalsContact O-N 3.13Å
217K89.3Confident82.6Confident128 Ų128106.1 Ų106.156%0.55757%0.565SS**EExtended strand (participates in β ladder)trans-143.4102.3174.1-172.1165.9-173163.50107V237 V238K217-V237 HydrophobicContact CD-CG1 4.11Å; K217-V237 HydrophobicContact CG-CG1 3.92Å; K217-V238 CarbonylContact C-O 3.57Å; K217-V238 WeakPolarHBondContact CA-O 3.47Å
218S89.4Confident83.7Confident64 Ų64106.1 Ų106.145%0.44856%0.562SS.*EExtended strand (participates in β ladder)trans-81.7145.8177.3730000109.7V237 V238S218-V237 WeakPolarHBondContact O-CA 3.43Å; S218-V238 PolarHBondContact N-O 3.15Å; S218-V238 PolarHBondContact O-N 3.31Å; S218-V238 WeakPolarHBondContact OG-CB 3.23Å
219I94Very high84.4Confident94 Ų94101.4 Ų101.448%0.48254%0.544SS..EExtended strand (participates in β ladder)trans-132.1122-179.8-52178.5000107.3V221 R235 T236 V237I219-V221 HydrophobicContact CG2-CG2 4.14Å; I219-R235 HydrophobicContact CG2-CG 4.11Å; I219-T236 CarbonylContact C-O 3.54Å; I219-T236 WeakPolarHBondContact CA-O 3.02Å; I219-V237 HydrophobicContact CG1-CG2 4.39Å; I219-V237 HydrophobicContact CG2-CG2 4.31Å
220S89.9Confident85.1Confident59 Ų5995.9 Ų95.941%0.41352%0.519SS..EExtended strand (participates in β ladder)trans-111.1139.2168.155.20000109.5R235 T236S220-R235 CarbonylContact O-C 3.6Å; S220-R235 WeakPolarHBondContact O-CA 3.47Å; S220-T236 PolarHBondContact N-O 2.83Å; S220-T236 PolarHBondContact O-N 3.4Å; S220-T236 WeakPolarHBondContact OG-CB 3.36Å
221V95.3Very high86.1Confident78 Ų7891.4 Ų91.447%0.47349%0.489SS..EExtended strand (participates in β ladder)trans-128.4116179.2-177.20000108.1I219 E233 R234 R235I219-V221 HydrophobicContact CG2-CG2 4.14Å; V221-E233 HydrophobicContact CG1-CG 3.57Å; V221-E233 WeakPolarHBondContact CG1-OE1 3.37Å; V221-R234 CarbonylContact C-O 3.57Å; V221-R234 WeakPolarHBondContact CA-O 3.39Å; V221-R235 HydrophobicContact CG2-CG 4.3Å
222T94.1Very high87.1Confident77 Ų7786.8 Ų86.847%0.47247%0.467SS..EExtended strand (participates in β ladder)trans-113.7108.1179.9-55.80000108.8I224 R234T222-I224 HydrophobicContact CG2-CD1 4.42Å; T222-I224 HydrophobicContact CG2-CG1 4.08Å; T222-R234 PolarHBondContact N-O 3.21Å; T222-R234 PolarHBondContact O-N 3.27Å
223K95.1Very high88.4Confident138 Ų13883.5 Ų83.560%0.644%0.441SS*.EExtended strand (participates in β ladder)trans-97.7117.8177.2-178.9172170.8164.50109.9V231 E232K223-V231 HydrophobicContact CD-CG1 4.09Å; K223-V231 HydrophobicContact CG-CG1 3.77Å; K223-E232 WeakPolarHBondContact CA-O 3.26Å
224I93.5Very high89.7Confident68 Ų6883.4 Ų83.435%0.34944%0.437SS..EExtended strand (participates in β ladder)trans-114.2115.1-179.8-53176.7000108T222 E232T222-I224 HydrophobicContact CG2-CD1 4.42Å; T222-I224 HydrophobicContact CG2-CG1 4.08Å; I224-E232 PolarHBondContact N-O 3.27Å; I224-E232 PolarHBondContact O-N 3.23Å
225T94.1Very high90.9Very high96 Ų9686.4 Ų86.459%0.58944%0.439SS*.EExtended strand (participates in β ladder)trans-89.8119169.4-51.40000108.4V231T225-V231 HydrophobicContact CG2-CG2 4.32Å
226K91.9Very high92.1Very high70 Ų7079.1 Ų79.130%0.30441%0.414SS..  trans-84.2160177.4-77.3174.7167.5-178.70111.2D228 G229 I230 E232K226-D228 WeakPolarHBondContact CB-OD1 3.37Å; K226-D228 PolarHBondContact O-N 3.36Å; K226-G229 PolarHBondContact O-N 3.47Å; K226-I230 WeakPolarHBondContact CB-O 3.49Å; K226-I230 PolarHBondContact N-O 2.91Å; K226-E232 VanDerWaalsContact CE-CD 3.4Å; K226-E232 WeakPolarHBondContact CE-OE1 3.42Å; K226-E232 WeakPolarHBondContact CE-OE2 3.39Å; K226-E232 IonicContact NZ-OE1 2.65Å; K226-E232 PolarHBondContact NZ-OE1 3.08Å; K226-E232 IonicContact NZ-OE2 3.33Å; K226-E232 PolarHBondContact NZ-OE2 3.14Å
227P90.7Very high92.8Very high146 Ų14673.6 Ų73.695%0.94839%0.391SS*.THydrogen-bonded Turntrans-68.9-11.9178.129.2-36.9000114G229P227-G229 PolarHBondContact O-N 2.78Å
228D87.8Confident93Very high86 Ų8669.4 Ų69.446%0.4638%0.375SS..THydrogen-bonded Turntrans-76.22.5168.261.14.5000112.5K226 I230 R250K226-D228 WeakPolarHBondContact CB-OD1 3.37Å; K226-D228 PolarHBondContact O-N 3.36Å; D228-I230 HydrophobicContact CB-CD1 4.46Å; D228-I230 HydrophobicContact CB-CG1 4.45Å; D228-I230 PolarHBondContact O-N 2.82Å; D228-I230 VanDerWaalsContact OD1-CB 3.26Å; D228-I230 WeakPolarHBondContact OD1-CB 3.37Å; D228-I230 PolarHBondContact OD1-N 3.31Å; D228-R250 IonicContact OD2-NH2 3.49Å; D228-R250 PolarHBondContact OD2-NH2 2.96Å
229G88.3Confident93.1Very high29 Ų2967.2 Ų67.230%0.29936%0.359SS..SBendtrans81-5.1-174.600000113.6K226 P227 A253K226-G229 PolarHBondContact O-N 3.47Å; P227-G229 PolarHBondContact O-N 2.78Å; G229-A253 WeakPolarHBondContact O-CB 3.1Å
230I91.9Very high92.7Very high17 Ų1764.6 Ų64.69%0.08735%0.349CS..  trans-87.2131.3-171.3-57.6174.4000110.4K226 D228 R250 E252K226-I230 WeakPolarHBondContact CB-O 3.49Å; K226-I230 PolarHBondContact N-O 2.91Å; D228-I230 HydrophobicContact CB-CD1 4.46Å; D228-I230 HydrophobicContact CB-CG1 4.45Å; D228-I230 PolarHBondContact O-N 2.82Å; D228-I230 VanDerWaalsContact OD1-CB 3.26Å; D228-I230 WeakPolarHBondContact OD1-CB 3.37Å; D228-I230 PolarHBondContact OD1-N 3.31Å; I230-R250 HydrophobicContact CG2-CG 3.36Å; I230-R250 VanDerWaalsContact CG2-NE 3.34Å; I230-E252 HydrophobicContact CG1-CB 4.46Å; I230-E252 HydrophobicContact CG1-CG 4.23Å
231V92.9Very high92.5Very high22 Ų2267.6 Ų67.613%0.13336%0.356CS..EExtended strand (participates in β ladder)trans-93.3121.8179.6173.30000109.4K223 T225 R250 H251K223-V231 HydrophobicContact CD-CG1 4.09Å; K223-V231 HydrophobicContact CG-CG1 3.77Å; T225-V231 HydrophobicContact CG2-CG2 4.32Å; V231-R250 CarbonylContact O-C 3.59Å; V231-R250 WeakPolarHBondContact O-CA 3.46Å; V231-H251 HydrophobicContact CB-CB 4.36Å; V231-H251 PolarHBondContact N-O 2.86Å; V231-H251 PolarHBondContact O-N 3.13Å
232E94.2Very high91.9Very high27 Ų2766.3 Ų66.313%0.12636%0.359CS..EExtended strand (participates in β ladder)trans-106112.5168.7-70.7-176.9171.600109.9K223 I224 K226 T249 R250K223-E232 WeakPolarHBondContact CA-O 3.26Å; I224-E232 PolarHBondContact N-O 3.27Å; I224-E232 PolarHBondContact O-N 3.23Å; K226-E232 VanDerWaalsContact CE-CD 3.4Å; K226-E232 WeakPolarHBondContact CE-OE1 3.42Å; K226-E232 WeakPolarHBondContact CE-OE2 3.39Å; K226-E232 IonicContact NZ-OE1 2.65Å; K226-E232 PolarHBondContact NZ-OE1 3.08Å; K226-E232 IonicContact NZ-OE2 3.33Å; K226-E232 PolarHBondContact NZ-OE2 3.14Å; E232-T249 WeakPolarHBondContact CA-O 3.43Å; E232-R250 HydrophobicContact CG-CB 4.45Å; E232-R250 HydrophobicContact CG-CG 4Å; E232-R250 IonicContact OE1-NE 2.95Å; E232-R250 PolarHBondContact OE1-NE 2.84Å
233E95.3Very high91.6Very high62 Ų6269.3 Ų69.329%0.2936%0.362SS..EExtended strand (participates in β ladder)trans-100.1115.9172.5-175180141.600109.5V221 V248 T249V221-E233 HydrophobicContact CG1-CG 3.57Å; V221-E233 WeakPolarHBondContact CG1-OE1 3.37Å; E233-V248 WeakPolarHBondContact O-CA 3.46Å; E233-T249 PolarHBondContact N-O 2.81Å; E233-T249 PolarHBondContact O-N 3.29Å
234R94.4Very high91.5Very high120 Ų12066.9 Ų66.945%0.45336%0.358SS..EExtended strand (participates in β ladder)trans-101.2110.1175.2-61-179168.5-173.9-5.2108.9V221 T222 T247 V248V221-R234 CarbonylContact C-O 3.57Å; V221-R234 WeakPolarHBondContact CA-O 3.39Å; T222-R234 PolarHBondContact N-O 3.21Å; T222-R234 PolarHBondContact O-N 3.27Å; R234-T247 CarbonylContact C-O 3.55Å; R234-T247 WeakPolarHBondContact CA-O 3.37Å; R234-V248 HydrophobicContact CG-CG1 4.12Å; R234-V248 HydrophobicContact CG-CG2 4.08Å
235R95.4Very high91.5Very high123 Ų12369.5 Ų69.546%0.46437%0.369SS..EExtended strand (participates in β ladder)trans-99.6110.9173.4179.5179.9-179.8-173.30.9108.9I219 S220 V221 V237 T246 T247I219-R235 HydrophobicContact CG2-CG 4.11Å; S220-R235 CarbonylContact O-C 3.6Å; S220-R235 WeakPolarHBondContact O-CA 3.47Å; V221-R235 HydrophobicContact CG2-CG 4.3Å; R235-V237 HydrophobicContact CG-CG2 4.17Å; R235-T246 WeakPolarHBondContact O-CA 3.39Å; R235-T247 PolarHBondContact N-O 2.32Å; R235-T247 PolarHBondContact O-N 3.39Å
236T95.6Very high91.5Very high31 Ų3168.9 Ų68.919%0.1937%0.365CS..EExtended strand (participates in β ladder)trans-104.5140.1172.5-62.50000109.6I219 S220 V238 T244 E245 T246I219-T236 CarbonylContact C-O 3.54Å; I219-T236 WeakPolarHBondContact CA-O 3.02Å; S220-T236 PolarHBondContact N-O 2.83Å; S220-T236 PolarHBondContact O-N 3.4Å; S220-T236 WeakPolarHBondContact OG-CB 3.36Å; T236-V238 HydrophobicContact CG2-CG2 4.39Å; T236-T244 HydrophobicContact CG2-CG2 3.57Å; T236-E245 CarbonylContact C-O 3.6Å; T236-E245 WeakPolarHBondContact CA-O 3.47Å; T236-T246 WeakPolarHBondContact CG2-OG1 3.35Å; T236-T246 WeakPolarHBondContact OG1-CG2 3.4Å; T236-T246 PolarHBondContact OG1-OG1 2.91Å
237V95.3Very high91.6Very high11 Ų1169.4 Ų69.47%0.06737%0.374CS..EExtended strand (participates in β ladder)trans-133.3118.5-171.3169.80000107.1K217 S218 I219 R235 T244 E245K217-V237 HydrophobicContact CD-CG1 4.11Å; K217-V237 HydrophobicContact CG-CG1 3.92Å; S218-V237 WeakPolarHBondContact O-CA 3.43Å; I219-V237 HydrophobicContact CG1-CG2 4.39Å; I219-V237 HydrophobicContact CG2-CG2 4.31Å; R235-V237 HydrophobicContact CG-CG2 4.17Å; V237-T244 CarbonylContact O-C 3.5Å; V237-T244 WeakPolarHBondContact O-CA 2.93Å; V237-E245 HydrophobicContact CB-CB 4.3Å; V237-E245 PolarHBondContact N-O 2.87Å; V237-E245 PolarHBondContact O-N 2.84Å
238V94.9Very high91.8Very high39 Ų3966.3 Ų66.324%0.23635%0.352CS..EExtended strand (participates in β ladder)trans-116.3124.2177.7-166.20000109K217 S218 T236 R243 T244K217-V238 CarbonylContact C-O 3.57Å; K217-V238 WeakPolarHBondContact CA-O 3.47Å; S218-V238 PolarHBondContact N-O 3.15Å; S218-V238 PolarHBondContact O-N 3.31Å; S218-V238 WeakPolarHBondContact OG-CB 3.23Å; T236-V238 HydrophobicContact CG2-CG2 4.39Å; V238-R243 WeakPolarHBondContact CA-O 3.49Å; V238-T244 HydrophobicContact CG2-CG2 4.15Å
239D91Very high92Very high19 Ų1964.5 Ų64.510%0.10235%0.345CS..EExtended strand (participates in β ladder)trans-87.9-178.817877.92.5000113E241 G242 R243D239-E241 PolarHBondContact O-N 2.74Å; D239-E241 WeakPolarHBondContact OD1-CA 3.49Å; D239-E241 WeakPolarHBondContact OD1-CB 3.46Å; D239-E241 PolarHBondContact OD1-N 3.05Å; D239-G242 PolarHBondContact O-N 2.84Å; D239-G242 PolarHBondContact OD1-N 2.8Å; D239-R243 PolarHBondContact N-O 2.93Å; D239-R243 WeakPolarHBondContact OD1-CB 3.41Å; D239-R243 PolarHBondContact OD1-N 2.97Å; D239-R243 IonicContact OD2-CZ 2.94Å; D239-R243 IonicContact OD2-NE 3.23Å; D239-R243 PolarHBondContact OD2-NE 3.04Å; D239-R243 IonicContact OD2-NH2 3.66Å; D239-R243 PolarHBondContact OD2-NH2 2.85Å
240S84.8Confident92.1Very high38 Ų3869.9 Ų69.927%0.26636%0.356SS..THydrogen-bonded Turntrans-73-10.8-179.464.20000115.2S214 F216S214-S240 VanDerWaalsContact CA-OG 3.26Å; S214-S240 WeakPolarHBondContact CA-OG 3.44Å; S214-S240 WeakPolarHBondContact CB-OG 3.41Å; S214-S240 PolarHBondContact OG-OG 3.06Å; S214-S240 VanDerWaalsContact OG-OG 3.08Å; F216-S240 VanDerWaalsContact CD1-CB 3.47Å; F216-S240 VanDerWaalsContact CE1-CB 3.44Å; F216-S240 VanDerWaalsContact CZ-CA 3.45Å; F216-S240 PolarHBondContact O-N 2.73Å; F216-S240 VanDerWaalsContact O-N 3.13Å
241E85.8Confident91.8Very high123 Ų12374.8 Ų74.858%0.57538%0.378SS*.THydrogen-bonded Turntrans-950176.3-65.4167.3-137.100111.2D239 R243D239-E241 PolarHBondContact O-N 2.74Å; D239-E241 WeakPolarHBondContact OD1-CA 3.49Å; D239-E241 WeakPolarHBondContact OD1-CB 3.46Å; D239-E241 PolarHBondContact OD1-N 3.05Å; E241-R243 VanDerWaalsContact C-N 3.3Å; E241-R243 HydrophobicContact CB-CG 4.42Å; E241-R243 IonicContact OE1-CZ 3.06Å; E241-R243 IonicContact OE1-NH2 3.16Å; E241-R243 PolarHBondContact OE1-NH2 2.62Å; E241-R243 IonicContact OE2-CZ 2.67Å; E241-R243 IonicContact OE2-NE 2.74Å; E241-R243 IonicContact OE2-NH1 2.73Å; E241-R243 PolarHBondContact OE2-NH1 2.94Å; E241-R243 IonicContact OE2-NH2 2.7Å; E241-R243 PolarHBondContact OE2-NH2 3.1Å
242G84.1Confident91.3Very high51 Ų5180.4 Ų80.453%0.52640%0.403SS..  trans80.94.6-176.800000114.1D239 T244D239-G242 PolarHBondContact O-N 2.84Å; D239-G242 PolarHBondContact OD1-N 2.8Å; G242-T244 PolarHBondContact O-N 3.4Å; G242-T244 PolarHBondContact O-OG1 2.89Å
243R87.6Confident89.9Confident140 Ų14082.9 Ų82.953%0.52843%0.428SS..  trans-68.5130.6175-60.4-177-65.5-136.8-16.4108.7V238 D239 E241V238-R243 WeakPolarHBondContact CA-O 3.49Å; D239-R243 PolarHBondContact N-O 2.93Å; D239-R243 WeakPolarHBondContact OD1-CB 3.41Å; D239-R243 PolarHBondContact OD1-N 2.97Å; D239-R243 IonicContact OD2-CZ 2.94Å; D239-R243 IonicContact OD2-NE 3.23Å; D239-R243 PolarHBondContact OD2-NE 3.04Å; D239-R243 IonicContact OD2-NH2 3.66Å; D239-R243 PolarHBondContact OD2-NH2 2.85Å; E241-R243 VanDerWaalsContact C-N 3.3Å; E241-R243 HydrophobicContact CB-CG 4.42Å; E241-R243 IonicContact OE1-CZ 3.06Å; E241-R243 IonicContact OE1-NH2 3.16Å; E241-R243 PolarHBondContact OE1-NH2 2.62Å; E241-R243 IonicContact OE2-CZ 2.67Å; E241-R243 IonicContact OE2-NE 2.74Å; E241-R243 IonicContact OE2-NH1 2.73Å; E241-R243 PolarHBondContact OE2-NH1 2.94Å; E241-R243 IonicContact OE2-NH2 2.7Å; E241-R243 PolarHBondContact OE2-NH2 3.1Å
244T92.5Very high87.7Confident87 Ų8787.5 Ų87.553%0.53445%0.45SS..EExtended strand (participates in β ladder)trans-116.3113.4-174.9-61.10000110.1T236 V237 V238 G242T236-T244 HydrophobicContact CG2-CG2 3.57Å; V237-T244 CarbonylContact O-C 3.5Å; V237-T244 WeakPolarHBondContact O-CA 2.93Å; V238-T244 HydrophobicContact CG2-CG2 4.15Å; G242-T244 PolarHBondContact O-N 3.4Å; G242-T244 PolarHBondContact O-OG1 2.89Å
245E93.5Very high85.3Confident123 Ų12387 Ų8758%0.57547%0.465SS*.EExtended strand (participates in β ladder)trans-99.3134.9171.7-62.9177.2152.300108.9T236 V237T236-E245 CarbonylContact C-O 3.6Å; T236-E245 WeakPolarHBondContact CA-O 3.47Å; V237-E245 HydrophobicContact CB-CB 4.3Å; V237-E245 PolarHBondContact N-O 2.87Å; V237-E245 PolarHBondContact O-N 2.84Å
246T93.9Very high83Confident82 Ų8286 Ų8650%0.50348%0.477SS..EExtended strand (participates in β ladder)trans-127.5121.5173.3-63.80000110.7R235 T236 V248R235-T246 WeakPolarHBondContact O-CA 3.39Å; T236-T246 WeakPolarHBondContact CG2-OG1 3.35Å; T236-T246 WeakPolarHBondContact OG1-CG2 3.4Å; T236-T246 PolarHBondContact OG1-OG1 2.91Å; T246-V248 HydrophobicContact CG2-CG2 4.35Å
247T94.6Very high80.7Confident81 Ų8190.8 Ų90.850%0.49751%0.508SS..EExtended strand (participates in β ladder)trans-105.7133.7173.7-48.70000108.9R234 R235 T249R234-T247 CarbonylContact C-O 3.55Å; R234-T247 WeakPolarHBondContact CA-O 3.37Å; R235-T247 PolarHBondContact N-O 2.32Å; R235-T247 PolarHBondContact O-N 3.39Å; T247-T249 HydrophobicContact CG2-CG2 4.45Å
248V93.1Very high78.3Confident81 Ų81102 Ų10249%0.49155%0.549SS..EExtended strand (participates in β ladder)trans-117.2122.2173.7-172.50000108.3E233 R234 T246E233-V248 WeakPolarHBondContact O-CA 3.46Å; R234-V248 HydrophobicContact CG-CG1 4.12Å; R234-V248 HydrophobicContact CG-CG2 4.08Å; T246-V248 HydrophobicContact CG2-CG2 4.35Å
249T92.1Very high75.3Confident49 Ų49103.8 Ų103.830%0.30158%0.575SS.*EExtended strand (participates in β ladder)trans-111.3142.5171.2620000109.5E232 E233 T247 H251E232-T249 WeakPolarHBondContact CA-O 3.43Å; E233-T249 PolarHBondContact N-O 2.81Å; E233-T249 PolarHBondContact O-N 3.29Å; T247-T249 HydrophobicContact CG2-CG2 4.45Å; T249-H251 WeakPolarHBondContact CB-NE2 3.31Å; T249-H251 PolarHBondContact OG1-NE2 2.82Å
250R90.3Very high72.8Confident142 Ų142109.7 Ų109.754%0.53661%0.607SS.*EExtended strand (participates in β ladder)trans-123.7122.5-178.3-170.1174.7-169.4-134.9-3108.1D228 I230 V231 E232D228-R250 IonicContact OD2-NH2 3.49Å; D228-R250 PolarHBondContact OD2-NH2 2.96Å; I230-R250 HydrophobicContact CG2-CG 3.36Å; I230-R250 VanDerWaalsContact CG2-NE 3.34Å; V231-R250 CarbonylContact O-C 3.59Å; V231-R250 WeakPolarHBondContact O-CA 3.46Å; E232-R250 HydrophobicContact CG-CB 4.45Å; E232-R250 HydrophobicContact CG-CG 4Å; E232-R250 IonicContact OE1-NE 2.95Å; E232-R250 PolarHBondContact OE1-NE 2.84Å
251H85.9Confident71.1Confident119 Ų119113.6 Ų113.655%0.55163%0.631SS**EExtended strand (participates in β ladder)trans-123.5121-177.1-56.1-83.1000108.9V231 T249V231-H251 HydrophobicContact CB-CB 4.36Å; V231-H251 PolarHBondContact N-O 2.86Å; V231-H251 PolarHBondContact O-N 3.13Å; T249-H251 WeakPolarHBondContact CB-NE2 3.31Å; T249-H251 PolarHBondContact OG1-NE2 2.82Å
252E83.6Confident68.8Low141 Ų141116.5 Ų116.566%0.65965%0.645SS**  trans-76.1143.1174.1-171.3156.7-15800109.9I230 E254I230-E252 HydrophobicContact CG1-CB 4.46Å; I230-E252 HydrophobicContact CG1-CG 4.23Å; E252-E254 PolarHBondContact O-N 2.83Å
253A65.2Low66.8Low78 Ų78118.3 Ų118.365%0.64565%0.65SS**  trans-80.455.4-176.300000113G229G229-A253 WeakPolarHBondContact O-CB 3.1Å
254E48.8Very low64.7Low160 Ų160117.3 Ų117.375%0.74866%0.661SS**  trans-109.4115.6169-68.7-153.6145.700111.9E252E252-E254 PolarHBondContact O-N 2.83Å
255S43.8Very low62Low110 Ų110124.8 Ų124.877%0.76968%0.68SS**  trans50.8123.215857.40000121.1
256S46.7Very low59.4Low102 Ų102123.4 Ų123.471%0.71368%0.681SS**SBendtrans-8.5131.9138.5-176.40000116.4R258S256-R258 PolarHBondContact O-N 2.85Å
257P47.4Very low57Low131 Ų131125.2 Ų125.285%0.85169%0.694SS**SBendtrans-66.899.9-173.928.2-35.3000112.5
258R44.6Very low54.6Low246 Ų246125 Ų12593%0.92870%0.701SS**  trans-142.1101.5161.7-104.1-169.8177.6-161.70.3109.7S256S256-R258 PolarHBondContact O-N 2.85Å
259G32.8Very low52.5Low76 Ų76127.6 Ų127.678%0.78471%0.711SS**  trans112.29717100000113.5
260D37.9Very low50.3Low144 Ų144131.4 Ų131.477%0.7773%0.73SS**  trans-56.2148.6137.2-120.1-46.5000108E262D260-E262 PolarHBondContact OD1-N 2.8Å
261P49.5Very low48.5Very low119 Ų119131.4 Ų131.477%0.77374%0.741SS**  -141.9164.165.737.7-20.5000117.8
262E36.1Very low46.8Very low185 Ų185128.7 Ų128.786%0.86474%0.738SS**  trans90.457.6151.5-142.7164.3-154.900117.6D260D260-E262 PolarHBondContact OD1-N 2.8Å
263S42.4Very low45.3Very low89 Ų89129.2 Ų129.262%0.62274%0.739SS**  trans-66138.5159.9-178.70000112.7R265S263-R265 PolarHBondContact O-N 3.45Å
264P43.2Very low44.8Very low119 Ų119129.2 Ų129.277%0.77373%0.734SS**  trans-64.813216528.7-33.2000110.5P266P264-P266 VanDerWaalsContact O-CD 3.31Å; P264-P266 WeakPolarHBondContact O-CD 3.34Å
265R35.9Very low45.3Very low244 Ų244126.6 Ų126.692%0.92172%0.724SS**  trans-50.8111.7-170.2-170.7-178.6-159.6150.15114.5S263S263-R265 PolarHBondContact O-N 3.45Å
266P40.2Very low46Very low93 Ų93126.2 Ų126.260%0.60471%0.713SS**PPolyproline II helixtrans-73.9159.7165.232.1-33.8000111.1P264P264-P266 VanDerWaalsContact O-CD 3.31Å; P264-P266 WeakPolarHBondContact O-CD 3.34Å
267P43.7Very low46.5Very low120 Ų120127.1 Ų127.178%0.77971%0.71SS**PPolyproline II helixtrans-63.1141.2171.327.8-34.1000110.8L269P267-L269 PolarHBondContact O-N 3.42Å
268A44.1Very low47.2Very low77 Ų77127.4 Ų127.464%0.63670%0.703SS**PPolyproline II helixtrans-59.2126.3-16900000113.6
269L48.2Very low47.7Very low136 Ų136123.1 Ų123.171%0.71269%0.692SS**  trans-127.755.1168.7-75175.3000108.9P267 D271P267-L269 PolarHBondContact O-N 3.42Å; L269-D271 VanDerWaalsContact C-N 3.27Å; L269-D271 PolarHBondContact O-N 2.86Å
270D46.5Very low49Very low128 Ų128124 Ų12468%0.68468%0.678SS**Hα-helixtrans-72.4-13.1-168-64.7-34.2000114.4
271D52.2Low49.7Very low143 Ų143119 Ų11977%0.76566%0.66SS**Hα-helixtrans-82.2-32.5-176.8-102.4-12.2000114.4L269 F273L269-D271 VanDerWaalsContact C-N 3.27Å; L269-D271 PolarHBondContact O-N 2.86Å; D271-F273 PolarHBondContact O-N 3.41Å
272A51Low50.1Low61 Ų61123.9 Ų123.950%0.50466%0.663SS.*Hα-helixtrans-74.1-29.7-170.500000113.6
273F51.8Low50.8Low153 Ų153125.4 Ų125.467%0.67166%0.661SS**Hα-helixtrans-79.3-28.3-177.1-68.5-80.4000113.1D271 I275 L276 D277D271-F273 PolarHBondContact O-N 3.41Å; F273-I275 VanDerWaalsContact C-N 3.3Å; F273-I275 PolarHBondContact O-N 2.9Å; F273-L276 PolarHBondContact O-N 3.42Å; F273-D277 PolarHBondContact O-N 3Å
274S53.5Low51.3Low78 Ų78129.3 Ų129.355%0.54567%0.667SS.*Hα-helixtrans-62.3-35178.4-68.50000113.1L278S274-L278 PolarHBondContact O-N 3.24Å
275I59.3Low51.8Low104 Ų104134.8 Ų134.853%0.53367%0.673SS.*Hα-helixtrans-69.1-45.1179.4-67.2167.7000110.7F273 D277 L278 F279F273-I275 VanDerWaalsContact C-N 3.3Å; F273-I275 PolarHBondContact O-N 2.9Å; I275-D277 PolarHBondContact O-N 2.87Å; I275-L278 WeakPolarHBondContact O-CB 3.41Å; I275-L278 PolarHBondContact O-N 2.8Å; I275-F279 HydrophobicContact CG2-CD2 3.92Å; I275-F279 HydrophobicContact CG2-CE2 3.86Å; I275-F279 VanDerWaalsContact O-CD2 3.3Å; I275-F279 WeakPolarHBondContact O-CD2 3.44Å; I275-F279 PolarHBondContact O-N 2.9Å
276L59.2Low52.4Low103 Ų103128.4 Ų128.454%0.53967%0.665SS.*Hα-helixtrans-65.7-40-177.5-64.6176.3000111.9F273 L278 F279 L280F273-L276 PolarHBondContact O-N 3.42Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 2.82Å; L276-F279 PolarHBondContact O-N 2.87Å; L276-L280 WeakPolarHBondContact O-CB 3.21Å; L276-L280 WeakPolarHBondContact O-CG 2.92Å; L276-L280 PolarHBondContact O-N 2.82Å
277D57.8Low52.6Low121 Ų121139.4 Ų139.465%0.64770%0.695SS**Hα-helixtrans-65.8-35.6175.8-164.750.9000112.1F273 I275 F279 L280 G281F273-D277 PolarHBondContact O-N 3Å; I275-D277 PolarHBondContact O-N 2.87Å; D277-F279 VanDerWaalsContact C-N 3.34Å; D277-F279 PolarHBondContact O-N 3.23Å; D277-L280 PolarHBondContact O-N 3.21Å; D277-G281 WeakPolarHBondContact O-CA 3.26Å; D277-G281 PolarHBondContact O-N 3.46Å
278L61.3Low53Low137 Ų137140.4 Ų140.472%0.71769%0.691SS**Hα-helixtrans-63.3-37.2175.5-144.683.4000112.9S274 I275 L276S274-L278 PolarHBondContact O-N 3.24Å; I275-L278 WeakPolarHBondContact O-CB 3.41Å; I275-L278 PolarHBondContact O-N 2.8Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 2.82Å
279F55Low53.5Low156 Ų156143.7 Ų143.768%0.68469%0.693SS**Hα-helixtrans-77.2-42.3177-82.3-73.8000112.6I275 L276 D277I275-F279 HydrophobicContact CG2-CD2 3.92Å; I275-F279 HydrophobicContact CG2-CE2 3.86Å; I275-F279 VanDerWaalsContact O-CD2 3.3Å; I275-F279 WeakPolarHBondContact O-CD2 3.44Å; I275-F279 PolarHBondContact O-N 2.9Å; L276-F279 PolarHBondContact O-N 2.87Å; D277-F279 VanDerWaalsContact C-N 3.34Å; D277-F279 PolarHBondContact O-N 3.23Å
280L60.9Low53.8Low94 Ų94144.2 Ų144.249%0.49269%0.692SS.*Hα-helixtrans-79.2-42.4-176-70.8162.3000112.3L276 D277 R282 W283 F284L276-L280 WeakPolarHBondContact O-CB 3.21Å; L276-L280 WeakPolarHBondContact O-CG 2.92Å; L276-L280 PolarHBondContact O-N 2.82Å; D277-L280 PolarHBondContact O-N 3.21Å; L280-R282 PolarHBondContact O-N 3.38Å; L280-W283 PolarHBondContact O-N 3.33Å; L280-F284 WeakPolarHBondContact O-CD2 3.38Å; L280-F284 PolarHBondContact O-N 3.49Å
281G52.8Low54.2Low38 Ų38145.1 Ų145.139%0.39269%0.693SS.*Hα-helixtrans-61.3-28.2-179.800000113.7D277D277-G281 WeakPolarHBondContact O-CA 3.26Å; D277-G281 PolarHBondContact O-N 3.46Å
282R56.6Low54.3Low222 Ų222145.3 Ų145.384%0.83869%0.688SS**Hα-helixtrans-75.3-23.4175.9-168.8170.8179.1176.6-0.8113.6L280L280-R282 PolarHBondContact O-N 3.38Å
283W51.2Low54.5Low217 Ų217150.9 Ų150.982%0.82270%0.701SS**Hα-helixtrans-83.7-34-178.6-147.9-24.3000112.3L280L280-W283 PolarHBondContact O-N 3.33Å
284F53.4Low54.7Low172 Ų172150.7 Ų150.775%0.75470%0.703SS**Hα-helixtrans-87.1-5.3-175.8-71-74.8000115.5L280 S286L280-F284 WeakPolarHBondContact O-CD2 3.38Å; L280-F284 PolarHBondContact O-N 3.49Å; F284-S286 PolarHBondContact O-N 2.65Å
285R52.4Low54.8Low234 Ų234156.3 Ų156.388%0.88372%0.715SS**  trans-96.168171.3-83.1-169.1176.7-134.23112.9
286S49.3Very low54.5Low110 Ų110160.7 Ų160.777%0.76973%0.73SS**  trans-149.781.7157.5-163.50000111.5F284F284-S286 PolarHBondContact O-N 2.65Å
287R43.7Very low54Low324 Ų324165.9 Ų165.9100%1.22375%0.747SS**  trans-1660155.2-105.5171-161.7-129.63.4108.9

Retrieved 287 of 287 residues in 73.7 ms (Link to these results)