A0A096NHN0_PAPAN Loading...

Zinc finger protein 76

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096NHN0, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF76, Length 570 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.5Very low41.7Very low225 Ų22584.1 Ų84.1100%1.10847%0.467SS*.  056.70-65.3-154.1-63.400107.7
2E35.7Very low41.7Very low172 Ų17285.8 Ų85.880%0.80449%0.49SS*.  -8.893.458.1-68.7-176.1162.200114.9
3S41.7Very low41.8Very low90 Ų9088.2 Ų88.263%0.62950%0.5SS*.  trans175.163.2154.554.10000110.9
4L38.5Very low42.2Very low113 Ų11386.3 Ų86.359%0.59251%0.509SS*.  trans-135.4-6159.2-82.6-174.7000116.3L6 Q20L4-L6 HydrophobicContact CB-CD1 4.29Å; L4-L6 WeakPolarHBondContact O-CG 3.5Å; L4-L6 PolarHBondContact O-N 2.93Å; L4-Q20 VanDerWaalsContact CD2-NE2 3.28Å
5G39.7Very low42.4Very low53 Ų5386.1 Ų86.155%0.54651%0.509SS..  trans3747.7160.400000115.6
6L41.5Very low42.8Very low97 Ų9785 Ų8551%0.50850%0.504SS..EExtended strand (participates in β ladder)trans-84.7118.9-177.1-82.5149.5000108.4L4 Q20L4-L6 HydrophobicContact CB-CD1 4.29Å; L4-L6 WeakPolarHBondContact O-CG 3.5Å; L4-L6 PolarHBondContact O-N 2.93Å; L6-Q20 HydrophobicContact CD2-CB 3.7Å; L6-Q20 HydrophobicContact CD2-CG 4.02Å; L6-Q20 HydrophobicContact CG-CG 4.4Å
7Q47.3Very low43Very low58 Ų5882.4 Ų82.427%0.27149%0.494SS..EExtended strand (participates in β ladder)trans-103.2136.8170.7-83.6-174.6-20.300109.9V19Q7-V19 PolarHBondContact N-O 3Å; Q7-V19 VanDerWaalsContact N-O 3.15Å; Q7-V19 PolarHBondContact O-N 2.91Å
8T43.4Very low43.2Very low23 Ų2387.6 Ų87.614%0.14151%0.505CS..EExtended strand (participates in β ladder)trans-94.9132.1172.545.50000109.7A17 Y18 T48T8-A17 WeakPolarHBondContact CA-O 3.32Å; T8-Y18 HydrophobicContact CG2-CD1 3.34Å; T8-Y18 HydrophobicContact CG2-CE1 3.31Å; T8-Y18 HydrophobicContact CG2-CG 4.2Å; T8-T48 PolarHBondContact OG1-O 3.48Å
9V48.6Very low43.5Very low5 Ų586.2 Ų86.23%0.0350%0.498CS..EExtended strand (participates in β ladder)trans-123.3126175.1178.20000108.4L11 A17 I44V9-L11 HydrophobicContact CG1-CD2 4.28Å; V9-A17 PolarHBondContact N-O 2.63Å; V9-A17 PolarHBondContact O-N 3Å; V9-I44 HydrophobicContact CG1-CB 4.3Å; V9-I44 HydrophobicContact CG1-CG1 4.18Å; V9-I44 HydrophobicContact CG1-CG2 3.88Å
10T44.9Very low43.4Very low50 Ų5087.9 Ų87.931%0.30750%0.501SS..EExtended strand (participates in β ladder)trans-91122.5170.135.50000109.6T16T10-T16 HydrophobicContact CG2-CG2 3.89Å
11L48.4Very low43.7Very low39 Ų3989.1 Ų89.120%0.20450%0.503CS..  trans-82.6163174.9-61.5-178.6000110.6V9 D13 G14 T15 A42V9-L11 HydrophobicContact CG1-CD2 4.28Å; L11-D13 PolarHBondContact O-N 2.95Å; L11-G14 PolarHBondContact O-N 3.03Å; L11-T15 PolarHBondContact N-O 2.82Å; L11-A42 HydrophobicContact CD1-CB 4.15Å; L11-A42 HydrophobicContact CD2-CB 3.77Å
12S41.1Very low44Very low105 Ų10582.2 Ų82.273%0.73448%0.481SS*.THydrogen-bonded Turntrans-63.9-10-175.153.30000115.1
13D42.9Very low44.2Very low117 Ų11780.2 Ų80.263%0.62648%0.481SS*.THydrogen-bonded Turntrans-93.10.2173.762.97.1000113.5L11 T15L11-D13 PolarHBondContact O-N 2.95Å; D13-T15 VanDerWaalsContact CG-OG1 3.28Å; D13-T15 VanDerWaalsContact OD1-CB 3.32Å; D13-T15 WeakPolarHBondContact OD1-CB 3.46Å; D13-T15 PolarHBondContact OD1-N 3.46Å; D13-T15 PolarHBondContact OD1-OG1 3.43Å; D13-T15 PolarHBondContact OD2-OG1 2.92Å
14G47.7Very low44.1Very low61 Ų6185 Ų8563%0.62949%0.49SS*.SBendtrans88.74.3-179.900000114.5L11L11-G14 PolarHBondContact O-N 3.03Å
15T44.7Very low44.1Very low83 Ų8383.3 Ų83.351%0.50950%0.5SS..  trans-83.6128.9178.2-390000110.8L11 D13L11-T15 PolarHBondContact N-O 2.82Å; D13-T15 VanDerWaalsContact CG-OG1 3.28Å; D13-T15 VanDerWaalsContact OD1-CB 3.32Å; D13-T15 WeakPolarHBondContact OD1-CB 3.46Å; D13-T15 PolarHBondContact OD1-N 3.46Å; D13-T15 PolarHBondContact OD1-OG1 3.43Å; D13-T15 PolarHBondContact OD2-OG1 2.92Å
16T48.8Very low44.2Very low69 Ų6988.7 Ų88.742%0.42351%0.51SS..EExtended strand (participates in β ladder)trans-92.8113.8177.6-35.30000110.2T10T10-T16 HydrophobicContact CG2-CG2 3.89Å
17A47.1Very low44.7Very low41 Ų4192.7 Ų92.734%0.33952%0.524SS..EExtended strand (participates in β ladder)trans-98.3136.4174.700000110.6T8 V9T8-A17 WeakPolarHBondContact CA-O 3.32Å; V9-A17 PolarHBondContact N-O 2.63Å; V9-A17 PolarHBondContact O-N 3Å
18Y45.4Very low44.9Very low176 Ų17692.3 Ų92.369%0.6952%0.523SS*.EExtended strand (participates in β ladder)trans-97.5111.9175.3-64.5-94.4000108.5T8T8-Y18 HydrophobicContact CG2-CD1 3.34Å; T8-Y18 HydrophobicContact CG2-CE1 3.31Å; T8-Y18 HydrophobicContact CG2-CG 4.2Å
19V48.9Very low45.3Very low61 Ų6197 Ų9737%0.3755%0.547SS..EExtended strand (participates in β ladder)trans-101.6112.6-179.6-173.70000108.7Q7Q7-V19 PolarHBondContact N-O 3Å; Q7-V19 VanDerWaalsContact N-O 3.15Å; Q7-V19 PolarHBondContact O-N 2.91Å
20Q42.4Very low45.3Very low119 Ų119102.9 Ų102.956%0.55657%0.574SS**EExtended strand (participates in β ladder)trans-83.2114.5173.1-165.6171.87.300108.3L4 L6 A22L4-Q20 VanDerWaalsContact CD2-NE2 3.28Å; L6-Q20 HydrophobicContact CD2-CB 3.7Å; L6-Q20 HydrophobicContact CD2-CG 4.02Å; L6-Q20 HydrophobicContact CG-CG 4.4Å; Q20-A22 PolarHBondContact O-N 2.92Å
21Q48.9Very low45.7Very low115 Ų115103 Ų10354%0.53759%0.585SS.*  trans-70.192.5-176.5-164.3175.425.700110.4E26Q21-E26 PolarHBondContact NE2-O 2.84Å
22A37Very low46.1Very low80 Ų80105 Ų10566%0.66159%0.594SS**  trans-113.1124.4164.300000108.8Q20Q20-A22 PolarHBondContact O-N 2.92Å
23V39.3Very low46.7Very low130 Ų130103 Ų10379%0.78858%0.577SS**SBendtrans91111.5166.2-161.90000116.4
24K39.3Very low47.4Very low191 Ų191100.1 Ų100.183%0.8356%0.561SS**SBendtrans79.237.2159.5-78.3-177.8177.2-178.20120.7E26K24-E26 PolarHBondContact O-N 3.1Å
25G37.8Very low47.3Very low77 Ų77104.7 Ų104.779%0.79457%0.566SS**  trans59.415.2144.700000119.2
26E43.8Very low47.8Very low165 Ų165104.7 Ų104.777%0.77156%0.562SS**PPolyproline II helixtrans-102.2134.6174.4-70.5-173.1166.300110.5Q21 K24Q21-E26 PolarHBondContact NE2-O 2.84Å; K24-E26 PolarHBondContact O-N 3.1Å
27K50.1Low47.6Very low181 Ų181111.5 Ų111.579%0.78759%0.589SS**PPolyproline II helixtrans-82.3131.3177.1-71.6-179.4177.1-179.80109.2
28L52.2Low47.4Very low50 Ų50115.3 Ų115.326%0.26260%0.604SS.*PPolyproline II helixtrans-70.8135.8174-66171.5000110.3I44L28-I44 HydrophobicContact CB-CD1 4.09Å; L28-I44 HydrophobicContact CD1-CD1 4.32Å; L28-I44 HydrophobicContact CD2-CD1 4.19Å; L28-I44 HydrophobicContact CG-CD1 4.44Å
29L51.8Low47.3Very low122 Ų122109.7 Ų109.764%0.63960%0.599SS**  trans-108.8145179.6-65.4171.3000110.9G31 Q32L29-G31 PolarHBondContact O-N 3.09Å; L29-Q32 VanDerWaalsContact O-CB 3.29Å; L29-Q32 WeakPolarHBondContact O-CB 3.49Å; L29-Q32 PolarHBondContact O-N 2.98Å
30E49.1Very low47.3Very low128 Ų128110.3 Ų110.360%0.59860%0.604SS**THydrogen-bonded Turntrans-59.3130.4173.7-163.5174.8169.900110.1H45 Q46E30-H45 VanDerWaalsContact CG-O 3.29Å; E30-H45 WeakPolarHBondContact CG-O 3.48Å; E30-H45 VanDerWaalsContact OE1-O 3.05Å; E30-Q46 VanDerWaalsContact OE1-CG 3.3Å; E30-Q46 WeakPolarHBondContact OE1-CG 3.47Å
31G53.3Low47.5Very low53 Ų53108.9 Ų108.955%0.54660%0.603SS.*THydrogen-bonded Turntrans90.23.2-174.800000116L29 I44L29-G31 PolarHBondContact O-N 3.09Å; G31-I44 PolarHBondContact N-O 3.21Å
32Q55.6Low47.5Very low82 Ų82103.9 Ų103.938%0.38358%0.581SS.*  trans-77.2141174.2-169171.4-6.500111.8L29 I44L29-Q32 VanDerWaalsContact O-CB 3.29Å; L29-Q32 WeakPolarHBondContact O-CB 3.49Å; L29-Q32 PolarHBondContact O-N 2.98Å; Q32-I44 HydrophobicContact CB-CD1 4.24Å; Q32-I44 WeakPolarHBondContact O-CG1 3.29Å; Q32-I44 PolarHBondContact O-N 2.84Å; Q32-I44 VanDerWaalsContact O-N 3.1Å
33V53.8Low47.8Very low62 Ų62106.7 Ų106.738%0.37658%0.576SS.*EExtended strand (participates in β ladder)trans-100.9125.5176.8-168.90000109.1T41 A42 Y43V33-T41 HydrophobicContact CG1-CG2 3.67Å; V33-A42 WeakPolarHBondContact CA-O 3.49Å; V33-Y43 HydrophobicContact CB-CE2 4.44Å; V33-Y43 HydrophobicContact CG1-CD2 4.16Å; V33-Y43 HydrophobicContact CG1-CE2 3.89Å; V33-Y43 HydrophobicContact CG2-CD1 3.74Å; V33-Y43 HydrophobicContact CG2-CD2 4.14Å; V33-Y43 HydrophobicContact CG2-CE1 3.25Å; V33-Y43 HydrophobicContact CG2-CE2 3.68Å; V33-Y43 HydrophobicContact CG2-CG 4.16Å
34I58.9Low48.6Very low57 Ų57100.6 Ų100.629%0.29254%0.539SS..EExtended strand (participates in β ladder)trans-118.8136.9179.4-0.1173000109.4A42 I44I34-A42 PolarHBondContact N-O 3.4Å; I34-A42 PolarHBondContact O-N 3.21Å; I34-I44 HydrophobicContact CD1-CD1 3.63Å; I34-I44 HydrophobicContact CD1-CG1 3.78Å; I34-I44 HydrophobicContact CG1-CD1 4.07Å; I34-I44 HydrophobicContact CG1-CG1 4Å
35Q46.2Very low48.5Very low157 Ų15797.5 Ų97.573%0.73453%0.527SS*.EExtended strand (participates in β ladder)trans-90.4125.2170-80.7-173.77.600109.2T41Q35-T41 HydrophobicContact CG-CG2 3.59Å
36L54.3Low48.7Very low82 Ų8299 Ų9943%0.42951%0.513SS..  trans-83.6158.4174.1-62.6174.1000109.8D38 G39 T40 A42L36-D38 WeakPolarHBondContact CB-OD1 3.3Å; L36-D38 PolarHBondContact O-N 2.93Å; L36-D38 VanDerWaalsContact O-N 3.09Å; L36-G39 PolarHBondContact O-N 3.45Å; L36-T40 PolarHBondContact N-O 3.15Å; L36-A42 HydrophobicContact CD1-CB 4.14Å; L36-A42 HydrophobicContact CG-CB 4.36Å
37E43.5Very low48.8Very low212 Ų21293 Ų9399%0.99149%0.488SS*.THydrogen-bonded Turntrans-63.4-16.3-175.2-68.7-173.6158.100113.8G39E37-G39 VanDerWaalsContact C-N 3.28Å
38D42.9Very low48.4Very low121 Ų12188.2 Ų88.265%0.64747%0.474SS*.THydrogen-bonded Turntrans-83.50.5173.165.47.4000113.9L36 T40L36-D38 WeakPolarHBondContact CB-OD1 3.3Å; L36-D38 PolarHBondContact O-N 2.93Å; L36-D38 VanDerWaalsContact O-N 3.09Å; D38-T40 WeakPolarHBondContact OD1-CB 3.29Å; D38-T40 PolarHBondContact OD1-N 2.89Å; D38-T40 PolarHBondContact OD1-OG1 3.34Å; D38-T40 PolarHBondContact OD2-OG1 3.28Å
39G45.2Very low47.9Very low58 Ų5890.9 Ų90.960%0.59849%0.492SS*.SBendtrans85.73.5178.700000114.8L36 E37L36-G39 PolarHBondContact O-N 3.45Å; E37-G39 VanDerWaalsContact C-N 3.28Å
40T47.2Very low47Very low75 Ų7593 Ų9346%0.4650%0.499SS..  trans-83.4147.9173.856.60000112.2L36 D38L36-T40 PolarHBondContact N-O 3.15Å; D38-T40 WeakPolarHBondContact OD1-CB 3.29Å; D38-T40 PolarHBondContact OD1-N 2.89Å; D38-T40 PolarHBondContact OD1-OG1 3.34Å; D38-T40 PolarHBondContact OD2-OG1 3.28Å
41T47.2Very low46.4Very low88 Ų8895.6 Ų95.654%0.5451%0.508SS..EExtended strand (participates in β ladder)trans-101.5120.1178.67.10000109.7V33 Q35V33-T41 HydrophobicContact CG1-CG2 3.67Å; Q35-T41 HydrophobicContact CG-CG2 3.59Å
42A48.2Very low45.3Very low10 Ų10101.7 Ų101.78%0.08352%0.522CS..EExtended strand (participates in β ladder)trans-108136.7-17900000110.8L11 V33 I34 L36L11-A42 HydrophobicContact CD1-CB 4.15Å; L11-A42 HydrophobicContact CD2-CB 3.77Å; V33-A42 WeakPolarHBondContact CA-O 3.49Å; I34-A42 PolarHBondContact N-O 3.4Å; I34-A42 PolarHBondContact O-N 3.21Å; L36-A42 HydrophobicContact CD1-CB 4.14Å; L36-A42 HydrophobicContact CG-CB 4.36Å
43Y44.6Very low44Very low139 Ų139103.6 Ų103.655%0.54555%0.545SS..EExtended strand (participates in β ladder)trans-103.6126.6176.6-90.7-100.3000110.3V33 H45V33-Y43 HydrophobicContact CB-CE2 4.44Å; V33-Y43 HydrophobicContact CG1-CD2 4.16Å; V33-Y43 HydrophobicContact CG1-CE2 3.89Å; V33-Y43 HydrophobicContact CG2-CD1 3.74Å; V33-Y43 HydrophobicContact CG2-CD2 4.14Å; V33-Y43 HydrophobicContact CG2-CE1 3.25Å; V33-Y43 HydrophobicContact CG2-CE2 3.68Å; V33-Y43 HydrophobicContact CG2-CG 4.16Å; Y43-H45 PolarHBondContact O-N 2.83Å
44I55.2Low43.2Very low2 Ų2107 Ų1071%0.0156%0.56CS.*  trans-77104.1175.5-56.6-175.7000108.6V9 L28 G31 Q32 I34 V47V9-I44 HydrophobicContact CG1-CB 4.3Å; V9-I44 HydrophobicContact CG1-CG1 4.18Å; V9-I44 HydrophobicContact CG1-CG2 3.88Å; L28-I44 HydrophobicContact CB-CD1 4.09Å; L28-I44 HydrophobicContact CD1-CD1 4.32Å; L28-I44 HydrophobicContact CD2-CD1 4.19Å; L28-I44 HydrophobicContact CG-CD1 4.44Å; G31-I44 PolarHBondContact N-O 3.21Å; Q32-I44 HydrophobicContact CB-CD1 4.24Å; Q32-I44 WeakPolarHBondContact O-CG1 3.29Å; Q32-I44 PolarHBondContact O-N 2.84Å; Q32-I44 VanDerWaalsContact O-N 3.1Å; I34-I44 HydrophobicContact CD1-CD1 3.63Å; I34-I44 HydrophobicContact CD1-CG1 3.78Å; I34-I44 HydrophobicContact CG1-CD1 4.07Å; I34-I44 HydrophobicContact CG1-CG1 4Å; I44-V47 HydrophobicContact CG2-CG2 3.54Å
45H37.6Very low42Very low127 Ų127109.3 Ų109.359%0.58858%0.581SS**  trans-82.8-41.6-174.9-164.634.8000113.2E30 Y43E30-H45 VanDerWaalsContact CG-O 3.29Å; E30-H45 WeakPolarHBondContact CG-O 3.48Å; E30-H45 VanDerWaalsContact OE1-O 3.05Å; Y43-H45 PolarHBondContact O-N 2.83Å
46Q41.1Very low41.9Very low107 Ų107105.6 Ų105.650%0.556%0.563SS.*EExtended strand (participates in β ladder)trans-152.7142.7175.5-88.7-179.2-10.700110.1E30E30-Q46 VanDerWaalsContact OE1-CG 3.3Å; E30-Q46 WeakPolarHBondContact OE1-CG 3.47Å
47V47.1Very low41.5Very low39 Ų39109.3 Ų109.324%0.23658%0.578CS.*EExtended strand (participates in β ladder)trans-114108.5174.7-177.50000108.8I44I44-V47 HydrophobicContact CG2-CG2 3.54Å
48T41.9Very low41.7Very low81 Ų81103.4 Ų103.450%0.49755%0.554SS.*EExtended strand (participates in β ladder)trans-106.2118175.345.90000110.2T8 Q50T8-T48 PolarHBondContact OG1-O 3.48Å; T48-Q50 PolarHBondContact O-N 2.85Å
49V41.6Very low42.1Very low107 Ų10799 Ų9965%0.64854%0.536SS*.  trans-81.2101.2173.1-178.80000108.2K51V49-K51 PolarHBondContact O-N 2.88Å
50Q32.5Very low42.1Very low167 Ų16799.9 Ų99.978%0.7853%0.525SS*.  trans-78.7107.1165.4-80.7-174-8.700108.6T48T48-Q50 PolarHBondContact O-N 2.85Å
51K36.9Very low42Very low182 Ų18299.7 Ų99.779%0.79153%0.525SS*.  trans-87.3110165-111.4-179.8175-178.10107.3V49 S53V49-K51 PolarHBondContact O-N 2.88Å; K51-S53 PolarHBondContact O-N 3.42Å
52E29.5Very low42Very low180 Ų18097.6 Ų97.684%0.84151%0.512SS*.  trans-64.9128.3166.7-78.2-178.1151.900109.1L54E52-L54 PolarHBondContact O-N 2.96Å; E52-L54 VanDerWaalsContact O-N 3.17Å
53S29.2Very low41.6Very low122 Ų122103.6 Ų103.685%0.85354%0.538SS*.  trans-72.6103.5176.753.90000109.8K51K51-S53 PolarHBondContact O-N 3.42Å
54L35.8Very low41.8Very low134 Ų134100 Ų10070%0.70253%0.528SS*.PPolyproline II helixtrans-76.3119.9169.7-78.6156.9000109.4E52 F56E52-L54 PolarHBondContact O-N 2.96Å; E52-L54 VanDerWaalsContact O-N 3.17Å; L54-F56 HydrophobicContact CB-CE1 4.37Å; L54-F56 HydrophobicContact CB-CE2 4.13Å; L54-F56 HydrophobicContact CB-CZ 3.85Å; L54-F56 WeakPolarHBondContact O-CD2 3.21Å; L54-F56 WeakPolarHBondContact O-CE2 3.43Å
55S34Very low40.9Very low105 Ų105109.1 Ų109.173%0.73457%0.571SS**PPolyproline II helixtrans-82.8119.5170.760.30000109.9
56F43.5Very low40.9Very low80 Ų80109 Ų10935%0.35157%0.574SS.*PPolyproline II helixtrans-95141.8177.1-58.1-79.2000111.9L54 I72 R74L54-F56 HydrophobicContact CB-CE1 4.37Å; L54-F56 HydrophobicContact CB-CE2 4.13Å; L54-F56 HydrophobicContact CB-CZ 3.85Å; L54-F56 WeakPolarHBondContact O-CD2 3.21Å; L54-F56 WeakPolarHBondContact O-CE2 3.43Å; F56-I72 HydrophobicContact CG-CD1 4.48Å; F56-R74 PolarHBondContact O-NE 2.85Å; F56-R74 PolarHBondContact O-NH2 3.26Å
57E47.6Very low40.8Very low160 Ų160106 Ų10675%0.74857%0.573SS**PPolyproline II helixtrans-79.3148.7171.9-64.6-170.9163.200111G59 Q60E57-G59 PolarHBondContact O-N 3.08Å; E57-Q60 WeakPolarHBondContact O-CB 3.48Å; E57-Q60 PolarHBondContact O-N 3.17Å
58D46.8Very low40.6Very low88 Ų88105.6 Ų105.647%0.47157%0.571SS.*THydrogen-bonded Turntrans-65.6126-175.7-169.152000111.4H73 R74D58-H73 VanDerWaalsContact OD1-CA 3.24Å; D58-H73 WeakPolarHBondContact OD1-CA 3.44Å; D58-H73 IonicContact OD1-ND1 3.47Å; D58-H73 PolarHBondContact OD1-ND1 2.81Å; D58-H73 IonicContact OD2-ND1 3.95Å; D58-R74 PolarHBondContact OD1-N 3.25Å
59G52.2Low40.5Very low28 Ų28105.3 Ų105.329%0.28957%0.565SS.*THydrogen-bonded Turntrans85.312.9-177.300000115.2E57 P61 I72E57-G59 PolarHBondContact O-N 3.08Å; G59-P61 WeakPolarHBondContact O-CD 3.43Å; G59-I72 PolarHBondContact N-O 3.28Å
60Q45.1Very low40.7Very low77 Ų77100.5 Ų100.536%0.3654%0.537SS..EExtended strand (participates in β ladder)trans-65.9123.8176.5-170173.8-33.200111.1E57 I72E57-Q60 WeakPolarHBondContact O-CB 3.48Å; E57-Q60 PolarHBondContact O-N 3.17Å; Q60-I72 PolarHBondContact O-N 3.26Å
61P43.8Very low41.4Very low70 Ų7098 Ų9846%0.45552%0.521SS..EExtended strand (participates in β ladder)trans-75.7124.4175.928.2-31.1000110.4G59 M69 Y71G59-P61 WeakPolarHBondContact O-CD 3.43Å; P61-M69 HydrophobicContact CB-CE 3.63Å; P61-Y71 HydrophobicContact CB-CD1 4.03Å; P61-Y71 HydrophobicContact CB-CE1 3.67Å
62V48.5Very low42.1Very low45 Ų4591.4 Ų91.427%0.27349%0.494SS..EExtended strand (participates in β ladder)trans-116.9127.2176.7-1790000108.7A70 I72V62-A70 PolarHBondContact N-O 2.98Å; V62-A70 PolarHBondContact O-N 3.33Å; V62-I72 HydrophobicContact CG2-CD1 3.82Å; V62-I72 HydrophobicContact CG2-CG1 4.35Å
63Q39.8Very low43.2Very low136 Ų13685.3 Ų85.364%0.63647%0.466SS*.EExtended strand (participates in β ladder)trans-86.7121.6176.1-162169.121.200108.9S68 M69Q63-S68 CarbonylContact C-O 3.58Å; Q63-S68 WeakPolarHBondContact CA-O 3.4Å; Q63-M69 HydrophobicContact CB-CE 4.45Å; Q63-M69 HydrophobicContact CB-SD 3.62Å; Q63-M69 HydrophobicContact CG-SD 3.59Å; Q63-M69 VanDerWaalsContact CG-SD 3.59Å
64L47.2Very low44Very low64 Ų6487.2 Ų87.234%0.33545%0.454SS..  trans-78.6162.2178.1-61.2179.1000110.5D66 G67 S68 A70L64-D66 WeakPolarHBondContact CB-OD1 3.46Å; L64-D66 PolarHBondContact O-N 3.42Å; L64-D66 VanDerWaalsContact O-N 3.08Å; L64-G67 PolarHBondContact O-N 3.27Å; L64-S68 PolarHBondContact N-O 3.34Å; L64-A70 HydrophobicContact CD1-CB 4.06Å; L64-A70 HydrophobicContact CD2-CB 4.3Å; L64-A70 HydrophobicContact CG-CB 4.09Å
65E36.9Very low44.6Very low193 Ų19385 Ų8590%0.90245%0.446SS*.THydrogen-bonded Turntrans-59.7-20.8-178.4-69.8-170.9149.800113.7G67E65-G67 VanDerWaalsContact C-N 3.27Å; E65-G67 PolarHBondContact O-N 3.25Å
66D38.3Very low45Very low124 Ų12483.8 Ų83.866%0.66344%0.436SS*.THydrogen-bonded Turntrans-83.1-0.1174.970.2-2.2000113.8L64 S68L64-D66 WeakPolarHBondContact CB-OD1 3.46Å; L64-D66 PolarHBondContact O-N 3.42Å; L64-D66 VanDerWaalsContact O-N 3.08Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 VanDerWaalsContact CG-OG 3.31Å; D66-S68 VanDerWaalsContact OD1-CB 3.23Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 3.05Å; D66-S68 PolarHBondContact OD1-OG 2.92Å; D66-S68 PolarHBondContact OD2-OG 3.34Å
67G38.6Very low45Very low45 Ų4586.7 Ų86.746%0.46445%0.448SS..SBendtrans83.60.8-178.800000114.8L64 E65L64-G67 PolarHBondContact O-N 3.27Å; E65-G67 VanDerWaalsContact C-N 3.27Å; E65-G67 PolarHBondContact O-N 3.25Å
68S42.8Very low44.6Very low30 Ų3088.8 Ų88.821%0.2146%0.458CS..  trans-80156.7174.3720000111.9Q63 L64 D66Q63-S68 CarbonylContact C-O 3.58Å; Q63-S68 WeakPolarHBondContact CA-O 3.4Å; L64-S68 PolarHBondContact N-O 3.34Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 VanDerWaalsContact CG-OG 3.31Å; D66-S68 VanDerWaalsContact OD1-CB 3.23Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 3.05Å; D66-S68 PolarHBondContact OD1-OG 2.92Å; D66-S68 PolarHBondContact OD2-OG 3.34Å
69M39.4Very low44.5Very low75 Ų7588.5 Ų88.537%0.36948%0.475SS..EExtended strand (participates in β ladder)trans-104.8120.2-178.7-62.7-64.4-62.500109.7P61 Q63 Y71P61-M69 HydrophobicContact CB-CE 3.63Å; Q63-M69 HydrophobicContact CB-CE 4.45Å; Q63-M69 HydrophobicContact CB-SD 3.62Å; Q63-M69 HydrophobicContact CG-SD 3.59Å; Q63-M69 VanDerWaalsContact CG-SD 3.59Å; M69-Y71 HydrophobicContact CB-CE2 4.45Å
70A45.4Very low44.1Very low6 Ų693.6 Ų93.65%0.0549%0.487CS..EExtended strand (participates in β ladder)trans-104150.1170.900000110.4V62 L64 I98V62-A70 PolarHBondContact N-O 2.98Å; V62-A70 PolarHBondContact O-N 3.33Å; L64-A70 HydrophobicContact CD1-CB 4.06Å; L64-A70 HydrophobicContact CD2-CB 4.3Å; L64-A70 HydrophobicContact CG-CB 4.09Å; A70-I98 HydrophobicContact CB-CG2 4.39Å
71Y48.8Very low43.9Very low113 Ų11395.2 Ų95.244%0.44350%0.498SS..EExtended strand (participates in β ladder)trans-120126.9177.2-63.4-94.2000108.3P61 M69P61-Y71 HydrophobicContact CB-CD1 4.03Å; P61-Y71 HydrophobicContact CB-CE1 3.67Å; M69-Y71 HydrophobicContact CB-CE2 4.45Å
72I51.9Low44Very low45 Ų4597.2 Ų97.223%0.23151%0.511CS..EExtended strand (participates in β ladder)trans-94.4122.5-177.3-57.8176.4000108.8F56 G59 Q60 V62F56-I72 HydrophobicContact CG-CD1 4.48Å; G59-I72 PolarHBondContact N-O 3.28Å; Q60-I72 PolarHBondContact O-N 3.26Å; V62-I72 HydrophobicContact CG2-CD1 3.82Å; V62-I72 HydrophobicContact CG2-CG1 4.35Å
73H51.3Low43.9Very low52 Ų5299.7 Ų99.724%0.24153%0.53CS..EExtended strand (participates in β ladder)trans-118.1135.3175.4-69.7-66.3000112.1D58D58-H73 VanDerWaalsContact OD1-CA 3.24Å; D58-H73 WeakPolarHBondContact OD1-CA 3.44Å; D58-H73 IonicContact OD1-ND1 3.47Å; D58-H73 PolarHBondContact OD1-ND1 2.81Å; D58-H73 IonicContact OD2-ND1 3.95Å
74R46.4Very low44.3Very low161 Ų16195.9 Ų95.961%0.60852%0.517SS*.SBendtrans-85.4-17.9178.7-68.7-173.6-178.7-156.81.6113.7F56 D58F56-R74 PolarHBondContact O-NE 2.85Å; F56-R74 PolarHBondContact O-NH2 3.26Å; D58-R74 PolarHBondContact OD1-N 3.25Å
75T47.5Very low44.5Very low87 Ų8795.1 Ų95.153%0.53451%0.513SS..SBendtrans-137.8138.6176.351.40000110K77T75-K77 PolarHBondContact O-N 2.95Å; T75-K77 VanDerWaalsContact O-N 3.09Å
76P43.6Very low45.2Very low80 Ų8091.2 Ų91.252%0.51949%0.494SS..  trans-64.9114.6175.325.9-29.7000108.6E78 Y97P76-E78 PolarHBondContact O-N 2.76Å; P76-Y97 HydrophobicContact CB-CE2 4.36Å; P76-Y97 HydrophobicContact CG-CE2 4.22Å
77K42.7Very low45.5Very low142 Ų14288.1 Ų88.162%0.61749%0.486SS*.  trans-66.1125.7169.1-99.9179.8173.81740108.4T75 G79 Y80T75-K77 PolarHBondContact O-N 2.95Å; T75-K77 VanDerWaalsContact O-N 3.09Å; K77-G79 PolarHBondContact O-N 3.31Å; K77-Y80 HydrophobicContact CB-CD2 4.35Å; K77-Y80 HydrophobicContact CB-CE2 4.43Å
78E40Very low45.9Very low204 Ų20488.6 Ų88.695%0.95348%0.48SS*.THydrogen-bonded Turntrans-57.6123.7173.3-71.1-176.5158.700109.5P76P76-E78 PolarHBondContact O-N 2.76Å
79G43.9Very low45.6Very low81 Ų8194.1 Ų94.184%0.83550%0.502SS*.THydrogen-bonded Turntrans126.3-5-179.100000115.8K77K77-G79 PolarHBondContact O-N 3.31Å
80Y44.1Very low45.8Very low136 Ų13694.5 Ų94.553%0.53351%0.505SS..SBendtrans-97.8132.6172.6-74.2-83.6000111.9K77 P82K77-Y80 HydrophobicContact CB-CD2 4.35Å; K77-Y80 HydrophobicContact CB-CE2 4.43Å; Y80-P82 WeakPolarHBondContact O-CD 3.37Å
81D41.5Very low45.4Very low111 Ų111103.7 Ų103.759%0.59455%0.547SS*.  trans-63.5121.4177.8-152.3-21.5000109.3S83 T84D81-S83 PolarHBondContact O-N 3.26Å; D81-T84 PolarHBondContact O-N 3.39Å; D81-T84 PolarHBondContact O-OG1 3.38Å
82P45.6Very low44.7Very low111 Ų111103.9 Ų103.972%0.72156%0.556SS**THydrogen-bonded Turntrans-61.1-7.4-172.5-2432.7000115.4Y80Y80-P82 WeakPolarHBondContact O-CD 3.37Å
83S47.1Very low43.9Very low97 Ų97104.6 Ų104.668%0.67858%0.575SS**THydrogen-bonded Turntrans-86.7-11.1-177.359.60000114.8D81D81-S83 PolarHBondContact O-N 3.26Å
84T48.2Very low43.4Very low57 Ų57105 Ų10535%0.3558%0.584SS.*SBendtrans-107.34.4-179.4590000114.3D81D81-T84 PolarHBondContact O-N 3.39Å; D81-T84 PolarHBondContact O-OG1 3.38Å
85L51.2Low43.2Very low48 Ų4899.5 Ų99.525%0.25157%0.567SS.*EExtended strand (participates in β ladder)trans-106.4123-176.2-64.4170000110.2Y97 H99L85-Y97 HydrophobicContact CB-CD1 4.3Å; L85-H99 HydrophobicContact CD2-CB 4.34Å
86E50.7Low43Very low110 Ų11095.9 Ų95.951%0.51455%0.546SS..EExtended strand (participates in β ladder)trans-90.6112.6167.1-168.3171.8178.400108.6V88 I98 H100E86-V88 HydrophobicContact CG-CG2 4.43Å; E86-I98 PolarHBondContact N-O 3.14Å; E86-I98 PolarHBondContact O-N 2.8Å; E86-H100 IonicContact OE2-CE1 3.12Å; E86-H100 PolarHBondContact OE2-CE1 3.32Å; E86-H100 IonicContact OE2-ND1 3.62Å
87A45.7Very low43.2Very low60 Ų6095.1 Ų95.150%0.49653%0.534SS..EExtended strand (participates in β ladder)trans-85.4114.7178.200000109.6T95 Y97A87-T95 HydrophobicContact CB-CG2 3.8Å; A87-Y97 HydrophobicContact CB-CD1 3.93Å; A87-Y97 HydrophobicContact CB-CE1 3.8Å
88V46.6Very low43.4Very low54 Ų5490.6 Ų90.633%0.32752%0.516SS..EExtended strand (participates in β ladder)trans-108.6123.4177.7-178.30000109E86 A96 I98E86-V88 HydrophobicContact CG-CG2 4.43Å; V88-A96 PolarHBondContact N-O 3.41Å; V88-A96 PolarHBondContact O-N 3.44Å; V88-I98 HydrophobicContact CB-CD1 4.42Å; V88-I98 HydrophobicContact CG2-CD1 3.67Å; V88-I98 HydrophobicContact CG2-CG1 4.29Å
89Q35.5Very low43.6Very low146 Ų14684.1 Ų84.168%0.68249%0.485SS*.EExtended strand (participates in β ladder)trans-76.2122.9173.8-130.8112.345.900109.1T95Q89-T95 PolarHBondContact NE2-OG1 3.49Å
90L43.2Very low43.6Very low83 Ų8383.9 Ų83.944%0.43546%0.462SS..  trans-83.4156.1173.3-61177.9000110D92 G93 S94 A96L90-D92 WeakPolarHBondContact CB-OD1 3.38Å; L90-D92 PolarHBondContact O-N 2.85Å; L90-D92 VanDerWaalsContact O-N 3.08Å; L90-G93 PolarHBondContact O-N 2.81Å; L90-S94 WeakPolarHBondContact CB-O 3.26Å; L90-S94 PolarHBondContact N-O 3.01Å; L90-A96 HydrophobicContact CD1-CB 4.01Å; L90-A96 HydrophobicContact CD2-CB 4.42Å; L90-A96 HydrophobicContact CG-CB 4.11Å
91E37.2Very low43.1Very low199 Ų19981.2 Ų81.293%0.9346%0.462SS*.THydrogen-bonded Turntrans-66.2-10.1-175.7-67.7-179.4165.600113.7
92D34.3Very low42.8Very low118 Ų11881.2 Ų81.263%0.63147%0.465SS*.THydrogen-bonded Turntrans-87.6-1.1172.169.5-2.2000113.8L90 S94L90-D92 WeakPolarHBondContact CB-OD1 3.38Å; L90-D92 PolarHBondContact O-N 2.85Å; L90-D92 VanDerWaalsContact O-N 3.08Å; D92-S94 WeakPolarHBondContact OD1-CB 3.36Å; D92-S94 PolarHBondContact OD1-N 2.87Å; D92-S94 PolarHBondContact OD1-OG 3.16Å; D92-S94 VanDerWaalsContact OD1-OG 3.05Å; D92-S94 PolarHBondContact OD2-OG 3.44Å
93G36Very low42.2Very low60 Ų6080.3 Ų80.362%0.61947%0.467SS*.SBendtrans89.61.2-178.200000114.9L90L90-G93 PolarHBondContact O-N 2.81Å
94S40.9Very low41.2Very low61 Ų6180.2 Ų80.243%0.42746%0.463SS..PPolyproline II helixtrans-87.4147.8177.2-48.90000111.6L90 D92L90-S94 WeakPolarHBondContact CB-O 3.26Å; L90-S94 PolarHBondContact N-O 3.01Å; D92-S94 WeakPolarHBondContact OD1-CB 3.36Å; D92-S94 PolarHBondContact OD1-N 2.87Å; D92-S94 PolarHBondContact OD1-OG 3.16Å; D92-S94 VanDerWaalsContact OD1-OG 3.05Å; D92-S94 PolarHBondContact OD2-OG 3.44Å
95T41.2Very low40.3Very low44 Ų4482.2 Ų82.227%0.2748%0.476SS..EExtended strand (participates in β ladder)trans-100.3117.4177.6-44.20000110.1A87 Q89 Y97A87-T95 HydrophobicContact CB-CG2 3.8Å; Q89-T95 PolarHBondContact NE2-OG1 3.49Å; T95-Y97 HydrophobicContact CG2-CE1 4.42Å; T95-Y97 HydrophobicContact CG2-CE2 4.38Å
96A43.2Very low39.4Very low11 Ų1186 Ų869%0.09151%0.507CS..EExtended strand (participates in β ladder)trans-95.5139.1172.200000110.1V88 L90V88-A96 PolarHBondContact N-O 3.41Å; V88-A96 PolarHBondContact O-N 3.44Å; L90-A96 HydrophobicContact CD1-CB 4.01Å; L90-A96 HydrophobicContact CD2-CB 4.42Å; L90-A96 HydrophobicContact CG-CB 4.11Å
97Y48.7Very low38.6Very low65 Ų6589.8 Ų89.826%0.25553%0.525SS..EExtended strand (participates in β ladder)trans-106.6118.7179.9-61.6-89.1000109.9P76 L85 A87 T95P76-Y97 HydrophobicContact CB-CE2 4.36Å; P76-Y97 HydrophobicContact CG-CE2 4.22Å; L85-Y97 HydrophobicContact CB-CD1 4.3Å; A87-Y97 HydrophobicContact CB-CD1 3.93Å; A87-Y97 HydrophobicContact CB-CE1 3.8Å; T95-Y97 HydrophobicContact CG2-CE1 4.42Å; T95-Y97 HydrophobicContact CG2-CE2 4.38Å
98I47.7Very low37.8Very low46 Ų4690.4 Ų90.424%0.23653%0.525CS..EExtended strand (participates in β ladder)trans-99.8122.4179.7-55178.8000108.7A70 E86 V88A70-I98 HydrophobicContact CB-CG2 4.39Å; E86-I98 PolarHBondContact N-O 3.14Å; E86-I98 PolarHBondContact O-N 2.8Å; V88-I98 HydrophobicContact CB-CD1 4.42Å; V88-I98 HydrophobicContact CG2-CD1 3.67Å; V88-I98 HydrophobicContact CG2-CG1 4.29Å
99H44.3Very low37.3Very low69 Ų6994.4 Ų94.432%0.31955%0.55SS..EExtended strand (participates in β ladder)trans-96.9102.1175.6-175.5-77000110L85L85-H99 HydrophobicContact CD2-CB 4.34Å
100H44Very low36.9Very low75 Ų7594 Ų9435%0.34755%0.551SS.*  trans-81.8124.3172.8-65.995.1000109.6E86 V102E86-H100 IonicContact OE2-CE1 3.12Å; E86-H100 PolarHBondContact OE2-CE1 3.32Å; E86-H100 IonicContact OE2-ND1 3.62Å; H100-V102 PolarHBondContact O-N 3.33Å
101P33Very low36.1Very low80 Ų8097.5 Ų97.552%0.51957%0.569SS.*  trans-65.5106.6168.125.1-28.9000108.6A103P101-A103 PolarHBondContact O-N 3.38Å
102V34.3Very low35.7Very low111 Ų11192.4 Ų92.467%0.67356%0.561SS**  trans-58.9108.8179.1177.30000109.3H100 V104H100-V102 PolarHBondContact O-N 3.33Å; V102-V104 PolarHBondContact O-N 2.92Å
103A33.4Very low35.2Very low92 Ų9293.3 Ų93.376%0.7657%0.571SS**  trans-70.3105.6166.800000108.3P101 P105P101-A103 PolarHBondContact O-N 3.38Å; A103-P105 WeakPolarHBondContact O-CD 3.34Å
104V26.8Very low34.6Very low96 Ų9698.9 Ų98.958%0.58258%0.58SS**  trans-71.1120.8177.9-167.10000108.8V102V102-V104 PolarHBondContact O-N 2.92Å
105P28.6Very low34.1Very low98 Ų98102 Ų10264%0.63660%0.597SS**  trans-63.7147.9172-15.729.6000110.3A103 E107A103-P105 WeakPolarHBondContact O-CD 3.34Å; P105-E107 PolarHBondContact O-N 2.9Å
106S32Very low33.5Very low127 Ų127108 Ų10889%0.88862%0.622SS**SBendtrans-677.8-162.4-41.20000117.5
107E34.8Very low32.8Very low191 Ų191114.4 Ų114.489%0.89366%0.66SS**SBendtrans-147.163.8179.8-70.5-153.1166.200114.5P105P105-E107 PolarHBondContact O-N 2.9Å
108S28.4Very low31.7Very low73 Ų73114.5 Ų114.551%0.5168%0.681SS.*  trans-141.6114.2164.1490000112.4I110S108-I110 PolarHBondContact O-N 3.45Å
109T36.8Very low30.8Very low137 Ų137120.8 Ų120.884%0.8471%0.714SS**  trans-66.8116.4169.9-47.30000109.4
110I26Very low30.1Very low137 Ų137126 Ų12670%0.70374%0.738SS**  trans-101.6113169.6-60.3-179.9000108.7S108S108-I110 PolarHBondContact O-N 3.45Å
111L27.2Very low29.2Very low157 Ų157129.4 Ų129.482%0.82276%0.759SS**  trans-66.5132.3166.5-83.8143.2000109.9
112A27.4Very low29Very low92 Ų92134.3 Ų134.376%0.7678%0.78SS**  trans55.4124.3159.300000118.7
113V24.8Very low28.6Very low137 Ų137134 Ų13483%0.8379%0.789SS**  trans-122.7114.3155.4175.80000107.2
114Q24.1Very low28.5Very low177 Ų177133.9 Ų133.983%0.82779%0.788SS**  trans-63139.9164.9-89.1156-56.300109.7
115T29.6Very low28.8Very low127 Ų127137.1 Ų137.178%0.77980%0.797SS**  trans-84.1122175.246.50000110
116E28.3Very low28.9Very low171 Ų171138.6 Ų138.680%0.79980%0.8SS**  trans-142.194.9160.4-61.6-79.3158.800109.7
117V29.6Very low29Very low144 Ų144138.7 Ų138.787%0.87379%0.79SS**  trans48.3134.9134.3-1590000122.3
118G24.8Very low29.2Very low68 Ų68137.9 Ų137.970%0.70179%0.787SS**  trans154.371.3157.100000114.4
119L28.3Very low29.1Very low178 Ų178137 Ų13793%0.93279%0.788SS**  trans-144.376.4170.7-131.1136000110.5
120E29.1Very low28.7Very low178 Ų178140.5 Ų140.583%0.83279%0.793SS**  trans-125.4121.5158.1-61.4177.6-178.800102.5
121D25.9Very low29.1Very low147 Ų147139.8 Ų139.879%0.78679%0.79SS**  -158.4135.569.5-72.4-43000111.5
122L28.3Very low29.7Very low182 Ų182135.8 Ų135.895%0.95378%0.78SS**  trans172.164.2131.4-85.6-174.3000106.9
123A27.2Very low30.2Very low105 Ų105137.4 Ų137.487%0.86878%0.776SS**  trans-128.7107159.400000106.5
124A30.1Very low31Very low90 Ų90135.2 Ų135.274%0.74476%0.762SS**  trans-124132.7154.900000103.9
125E32.9Very low32Very low163 Ų163131 Ų13176%0.76275%0.749SS**  cis-160.8145.40.3-103.7168.7-175.100104.4
126D31.5Very low32.7Very low130 Ų130128.8 Ų128.870%0.69574%0.735SS**  trans61.4138.7142.1-48.2-16.3000120
127D35Very low33.2Very low128 Ų128123.7 Ų123.768%0.68472%0.722SS**  cis-164.6150.810.2-120.1-16.8000112.2
128E37.3Very low33.7Very low175 Ų175123 Ų12382%0.81871%0.712SS**  trans57.4129.5149.5-61.5-64.1137.200122.1
129G27.1Very low34.5Very low53 Ų53126 Ų12655%0.54671%0.708SS.*  cis-178.7155.53.900000111.2
130F28.1Very low35Very low212 Ų212124.2 Ų124.293%0.9370%0.695SS**  trans-145.1134.4165.5-98.2-82.6000111.5
131N33.7Very low35.4Very low121 Ų121123.9 Ų123.965%0.64769%0.688SS**  trans-78.1150.6-159.4-145.5-9.8000114.6D133 T134N131-D133 PolarHBondContact O-N 3.07Å; N131-T134 PolarHBondContact O-OG1 3.43Å
132A40.2Very low36.1Very low73 Ų73119.9 Ų119.960%0.60368%0.675SS**THydrogen-bonded Turntrans-68.4-1.8-170.600000116.3T134A132-T134 PolarHBondContact O-N 3.25Å
133D38.7Very low36.8Very low127 Ų127116 Ų11668%0.67966%0.663SS**Hα-helixtrans-80.9-12.2-177.6-67.7-35.1000114.1N131N131-D133 PolarHBondContact O-N 3.07Å
134T42Very low37.4Very low90 Ų90119.8 Ų119.855%0.55266%0.66SS**Hα-helixtrans-83.8-22.9-178.349.40000113.8N131 A132N131-T134 PolarHBondContact O-OG1 3.43Å; A132-T134 PolarHBondContact O-N 3.25Å
135V44.8Very low38Very low89 Ų89120.3 Ų120.354%0.53965%0.654SS.*Hα-helixtrans-75-38.2-179.6-179.70000110.8A137 L138 E139V135-A137 VanDerWaalsContact C-N 3.33Å; V135-A137 PolarHBondContact O-N 3.46Å; V135-L138 PolarHBondContact O-N 2.77Å; V135-E139 PolarHBondContact O-N 3.07Å
136V43.5Very low38.4Very low81 Ų81119.6 Ų119.649%0.49165%0.654SS.*Hα-helixtrans-70.3-29.1179.4-177.90000112.2
137A39.1Very low38.6Very low63 Ų63121.8 Ų121.852%0.52166%0.66SS.*Hα-helixtrans-72.3-27.4176.200000113.4V135V135-A137 VanDerWaalsContact C-N 3.33Å; V135-A137 PolarHBondContact O-N 3.46Å
138L40.8Very low38.4Very low129 Ų129123.2 Ų123.268%0.67567%0.667SS**Hα-helixtrans-80.4-32.8179.4-82.4159.8000112.6V135 Y141 A142V135-L138 PolarHBondContact O-N 2.77Å; L138-Y141 PolarHBondContact O-N 3.43Å; L138-A142 PolarHBondContact O-N 3.27Å
139E41.4Very low38.2Very low131 Ų131120.5 Ų120.561%0.61267%0.668SS**Hα-helixtrans-71.4-33.1177.1-69.7-174.8156.500112.8V135 Y141 S143V135-E139 PolarHBondContact O-N 3.07Å; E139-Y141 VanDerWaalsContact C-N 3.33Å; E139-Y141 PolarHBondContact O-N 3.01Å; E139-S143 PolarHBondContact O-N 3.38Å; E139-S143 PolarHBondContact O-OG 3.4Å
140Q39Very low38.5Very low141 Ų141127 Ų12766%0.65968%0.684SS**Hα-helixtrans-71.5-26.8176.1-70.8-177.4-2.500113.1
141Y37.1Very low38.6Very low172 Ų172124.9 Ų124.968%0.67568%0.681SS**Hα-helixtrans-78.3-37.2176-168.9-99.3000111.9L138 E139 S143 K144 V145L138-Y141 PolarHBondContact O-N 3.43Å; E139-Y141 VanDerWaalsContact C-N 3.33Å; E139-Y141 PolarHBondContact O-N 3.01Å; Y141-S143 VanDerWaalsContact C-N 3.29Å; Y141-S143 PolarHBondContact O-N 3.44Å; Y141-K144 PolarHBondContact O-N 3.28Å; Y141-V145 HydrophobicContact CE1-CG2 4.42Å
142A40.5Very low38.6Very low63 Ų63124.6 Ų124.652%0.52169%0.685SS.*Hα-helixtrans-64.3-30.7178.800000113.3L138 K144L138-A142 PolarHBondContact O-N 3.27Å; A142-K144 VanDerWaalsContact C-N 3.35Å; A142-K144 PolarHBondContact O-N 2.94Å
143S42.3Very low38.3Very low99 Ų99130.1 Ų130.169%0.69270%0.698SS**THydrogen-bonded Turntrans-78.9-13.6-179.9-60.80000114.2E139 Y141E139-S143 PolarHBondContact O-N 3.38Å; E139-S143 PolarHBondContact O-OG 3.4Å; Y141-S143 VanDerWaalsContact C-N 3.29Å; Y141-S143 PolarHBondContact O-N 3.44Å
144K40.8Very low37.8Very low185 Ų185132.1 Ų132.180%0.80471%0.709SS**THydrogen-bonded Turntrans-93.1-12.3-176.9-107.5177.2179.9174.40115Y141 A142Y141-K144 PolarHBondContact O-N 3.28Å; A142-K144 VanDerWaalsContact C-N 3.35Å; A142-K144 PolarHBondContact O-N 2.94Å
145V42.9Very low37.1Very low102 Ų102131 Ų13162%0.61872%0.715SS**SBendtrans-98.9-4.3-173-172.60000112.8Y141Y141-V145 HydrophobicContact CE1-CG2 4.42Å
146L39.6Very low36.7Very low147 Ų147137.1 Ų137.177%0.7774%0.735SS**SBendtrans-104.834.8-176.7-67.2178.2000114.7
147H36.3Very low36Very low177 Ų177136.4 Ų136.482%0.81974%0.744SS**SBendtrans-136.926.3178.4-109.267.9000116.7
148D31.7Very low35.9Very low158 Ų158142.3 Ų142.385%0.84576%0.76SS**  trans-149.3108.3167.2-124.5-16.5000112.9
149S32.6Very low35.6Very low118 Ų118145.1 Ų145.183%0.82577%0.77SS**  trans153.294.1138.5-67.20000110.8
150Q34.3Very low35.5Very low190 Ų190144.4 Ų144.489%0.88877%0.774SS**  trans-81.5168.5154.8-78.1175.4-17.200110.2
151I30.3Very low36Very low167 Ų167140.6 Ų140.686%0.85677%0.773SS**  trans93.1147.7170.56.9-168.4000119.2
152P33.7Very low37Very low115 Ų115140.2 Ų140.275%0.74778%0.782SS**  -127.2173.5-97.442.8-26000114.8
153H34Very low37.9Very low188 Ų188147.9 Ų147.987%0.8780%0.798SS**  trans-42142.3176.1-80.6-89000117.2
154N26.9Very low39.7Very low169 Ų169145.5 Ų145.590%0.90478%0.784SS**  -171.8136112.4-151.22.5000111.9
155G27.4Very low41.8Very low66 Ų66140.9 Ų140.968%0.6876%0.764SS**  trans142.3104.7169.600000114.5G157G155-G157 PolarHBondContact O-N 2.96Å
156K36.4Very low43.9Very low219 Ų219143.7 Ų143.795%0.95276%0.763SS**  trans-55.3121-177.3-61.8176.5178.5-179.20112.4
157G29.6Very low46.4Very low66 Ų66136.9 Ų136.968%0.6873%0.728SS**  trans-158.9124.617100000110.1G155 Q159G155-G157 PolarHBondContact O-N 2.96Å; G157-Q159 PolarHBondContact O-N 2.76Å
158Q35.7Very low48.7Very low186 Ų186131.9 Ų131.987%0.86973%0.725SS**  trans-33.8115.4177.6-149.4106.4-10.100113V160Q158-V160 PolarHBondContact O-N 2.86Å
159Q35.9Very low51.4Low188 Ų188130.6 Ų130.688%0.87971%0.709SS**  trans-65.4117171.9-78.7-175.3-18.400109.3G157G157-Q159 PolarHBondContact O-N 2.76Å
160V38.7Very low54Low117 Ų117134.5 Ų134.571%0.70971%0.711SS**  trans-101.5125.31671790000106.2Q158Q158-V160 PolarHBondContact O-N 2.86Å
161G48.4Very low56.4Low60 Ų60129.6 Ų129.662%0.61971%0.711SS**  trans-44.9145.1-16100000118.4R163G161-R163 VanDerWaalsContact C-N 3.26Å; G161-R163 PolarHBondContact O-N 3.3Å
162D58.7Low59.1Low164 Ų164123 Ų12388%0.87768%0.679SS**SBendtrans-66.421.9-164.5-84.4-33.1000118.5
163R60Low61.5Low225 Ų225119.3 Ų119.385%0.84966%0.663SS**  trans-142.143.5174.2-76.6-171.6173.1155.5-4.2114.7G161G161-R163 VanDerWaalsContact C-N 3.26Å; G161-R163 PolarHBondContact O-N 3.3Å
164A79.4Confident64.1Low49 Ų49117.6 Ų117.641%0.40565%0.649SS.*  trans-92.1117.517100000111.5R166 L175 Y176A164-R166 PolarHBondContact O-N 3.39Å; A164-L175 HydrophobicContact CB-CB 4.24Å; A164-L175 HydrophobicContact CB-CD1 4.36Å; A164-L175 HydrophobicContact CB-CD2 4.21Å; A164-Y176 CarbonylContact C-O 3.51Å
165F84.4Confident67.1Low88 Ų88113.6 Ų113.639%0.38663%0.627SS.*EExtended strand (participates in β ladder)trans-74.9111.7171.6-65.5-87.5000109.5L175 Y176 A179 L182F165-L175 CarbonylContact O-C 3.5Å; F165-L175 WeakPolarHBondContact O-CA 3.43Å; F165-Y176 PolarHBondContact N-O 3.12Å; F165-Y176 PolarHBondContact O-N 3.03Å; F165-A179 HydrophobicContact CD1-CB 4.04Å; F165-A179 VanDerWaalsContact CD2-N 3.33Å; F165-A179 HydrophobicContact CE1-CB 3.71Å; F165-A179 HydrophobicContact CE2-CB 4.29Å; F165-A179 VanDerWaalsContact CE2-N 3.31Å; F165-A179 HydrophobicContact CG-CB 4.47Å; F165-A179 HydrophobicContact CZ-CB 3.84Å; F165-L182 HydrophobicContact CB-CB 3.97Å; F165-L182 HydrophobicContact CB-CD2 3.71Å; F165-L182 HydrophobicContact CB-CG 4.4Å
166R88.7Confident70.1Confident160 Ų160112.5 Ų112.560%0.60460%0.603SS**EExtended strand (participates in β ladder)trans-88.7134.4179.7-178.1-176-65.6-82.22.9110.9A164 G168 R174 L175A164-R166 PolarHBondContact O-N 3.39Å; R166-G168 PolarHBondContact O-N 3.11Å; R166-R174 WeakPolarHBondContact CA-O 3.4Å; R166-L175 HydrophobicContact CB-CD2 3.71Å; R166-L175 HydrophobicContact CG-CD2 3.98Å
167C90.7Very high72.6Confident4 Ų4107.9 Ų107.93%0.02759%0.593CS.*  trans-68.6122.4168.7-175.80000111.3Y169 C172 R174 L182C167-Y169 VanDerWaalsContact C-N 3.27Å; C167-Y169 PolarHBondContact O-N 3.17Å; C167-C172 HydrophobicContact CB-CB 4.38Å; C167-R174 PolarHBondContact N-O 2.95Å; C167-L182 HydrophobicContact CB-CD1 3.75Å
168G86.3Confident75.5Confident73 Ų73107.2 Ų107.275%0.75358%0.576SS**  trans-76.7-5.4178.600000114.9R166 K170R166-G168 PolarHBondContact O-N 3.11Å; G168-K170 PolarHBondContact O-N 3.3Å
169Y87.2Confident77.9Confident131 Ų131100.9 Ų100.951%0.51456%0.555SS.*SBendtrans-68.9130.4-178.4-158.7-94000111.3C167 G171 C172 H189C167-Y169 VanDerWaalsContact C-N 3.27Å; C167-Y169 PolarHBondContact O-N 3.17Å; Y169-G171 PolarHBondContact O-N 2.6Å; Y169-G171 VanDerWaalsContact O-N 3.13Å; Y169-C172 WeakPolarHBondContact O-CB 3.22Å; Y169-C172 PolarHBondContact O-N 2.88Å; Y169-H189 HydrophobicContact CD1-CB 4.31Å; Y169-H189 AromaticContact CD1-CE1 3.67Å; Y169-H189 AromaticContact CD1-CG 3.76Å; Y169-H189 AromaticContact CD1-ND1 3.31Å; Y169-H189 VanDerWaalsContact CD1-ND1 3.31Å; Y169-H189 WeakPolarHBondContact CD1-ND1 3.42Å; Y169-H189 HydrophobicContact CD2-CB 3.62Å; Y169-H189 AromaticContact CD2-CG 3.82Å; Y169-H189 HydrophobicContact CE1-CB 4.47Å; Y169-H189 AromaticContact CE1-ND1 3.68Å; Y169-H189 HydrophobicContact CE2-CB 3.82Å; Y169-H189 HydrophobicContact CG-CB 3.87Å; Y169-H189 AromaticContact CG-CD2 3.88Å; Y169-H189 AromaticContact CG-CE1 3.99Å; Y169-H189 AromaticContact CG-CG 3.51Å; Y169-H189 AromaticContact CG-ND1 3.59Å
170K87.4Confident80.4Confident200 Ų20097.9 Ų97.987%0.8754%0.541SS*.THydrogen-bonded Turntrans-56.2119.4-176.6-170.8179.9179.9-179.50110.3G168G168-K170 PolarHBondContact O-N 3.3Å
171G83.9Confident82.7Confident86 Ų8697.3 Ų97.389%0.88753%0.53SS*.THydrogen-bonded Turntrans84.91.7179.100000116Y169Y169-G171 PolarHBondContact O-N 2.6Å; Y169-G171 VanDerWaalsContact O-N 3.13Å
172C88.3Confident84.7Confident28 Ų2895.3 Ų95.319%0.18951%0.505CS..THydrogen-bonded Turntrans-86.2-55.6175.9-174.90000112.6C167 Y169 R174 H185 H189C167-C172 HydrophobicContact CB-CB 4.38Å; Y169-C172 WeakPolarHBondContact O-CB 3.22Å; Y169-C172 PolarHBondContact O-N 2.88Å; C172-R174 PolarHBondContact O-N 3.08Å; C172-H185 VanDerWaalsContact SG-CE1 3.52Å; C172-H185 PolarHBondContact SG-NE2 3.5Å; C172-H189 WeakPolarHBondContact CB-NE2 3.23Å; C172-H189 PolarHBondContact SG-NE2 2.89Å
173G83.8Confident86.2Confident39 Ų3993.7 Ų93.740%0.40249%0.49SS..  trans60.85.7175.200000116.3
174R88.3Confident87.6Confident152 Ų15284.5 Ų84.557%0.57446%0.459SS*.  trans-67.5145.2-177.7-71.5-174.6-176.4-1611.5111.8R166 C167 C172 Y176R166-R174 WeakPolarHBondContact CA-O 3.4Å; C167-R174 PolarHBondContact N-O 2.95Å; C172-R174 PolarHBondContact O-N 3.08Å; R174-Y176 HydrophobicContact CB-CE2 3.69Å; R174-Y176 WeakPolarHBondContact CD-OH 3.42Å
175L90.9Very high88Confident85 Ų8583.2 Ų83.245%0.44545%0.445SS..EExtended strand (participates in β ladder)trans-111.2139.2179.3-61.8179.4000109.6A164 F165 R166A164-L175 HydrophobicContact CB-CB 4.24Å; A164-L175 HydrophobicContact CB-CD1 4.36Å; A164-L175 HydrophobicContact CB-CD2 4.21Å; F165-L175 CarbonylContact O-C 3.5Å; F165-L175 WeakPolarHBondContact O-CA 3.43Å; R166-L175 HydrophobicContact CB-CD2 3.71Å; R166-L175 HydrophobicContact CG-CD2 3.98Å
176Y90.3Very high88.3Confident43 Ų4382.6 Ų82.617%0.16944%0.443CS..EExtended strand (participates in β ladder)trans-127.1144.3178.4-63.3-84.2000109.8A164 F165 R174 T178 H181 L182 H185A164-Y176 CarbonylContact C-O 3.51Å; F165-Y176 PolarHBondContact N-O 3.12Å; F165-Y176 PolarHBondContact O-N 3.03Å; R174-Y176 HydrophobicContact CB-CE2 3.69Å; R174-Y176 WeakPolarHBondContact CD-OH 3.42Å; Y176-T178 VanDerWaalsContact C-N 3.27Å; Y176-T178 PolarHBondContact O-N 2.83Å; Y176-H181 HydrophobicContact CD1-CB 3.81Å; Y176-H181 HydrophobicContact CG-CB 4.36Å; Y176-L182 HydrophobicContact CD2-CB 3.92Å; Y176-L182 HydrophobicContact CD2-CD1 3.7Å; Y176-L182 HydrophobicContact CD2-CG 4.43Å; Y176-L182 HydrophobicContact CE2-CD1 4.02Å; Y176-L182 HydrophobicContact CG-CB 4.15Å; Y176-H185 HydrophobicContact CE1-CB 3.93Å; Y176-H185 HydrophobicContact CE2-CB 3.8Å; Y176-H185 AromaticContact CE2-CD2 3.23Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.41Å; Y176-H185 AromaticContact CE2-CG 3.59Å; Y176-H185 AromaticContact CE2-NE2 3.91Å; Y176-H185 VanDerWaalsContact CZ-CB 3.4Å; Y176-H185 AromaticContact CZ-CD2 3.44Å; Y176-H185 VanDerWaalsContact CZ-CD2 3.44Å; Y176-H185 AromaticContact CZ-CG 3.3Å; Y176-H185 AromaticContact CZ-ND1 3.91Å; Y176-H185 WeakPolarHBondContact OH-CB 3.48Å; Y176-H185 PolarHBondContact OH-CD2 3.2Å; Y176-H185 PolarHBondContact OH-CE1 2.8Å; Y176-H185 VanDerWaalsContact OH-CE1 3.28Å; Y176-H185 PolarHBondContact OH-ND1 3.25Å; Y176-H185 PolarHBondContact OH-NE2 3.47Å
177T89.1Confident88.4Confident121 Ų12176.7 Ų76.774%0.74242%0.421SS*.SBendtrans-76-17.3177.5510000112.8
178T89.1Confident88.3Confident53 Ų5380.2 Ų80.233%0.32545%0.45SS..SBendtrans-138146.6-177.367.10000111.3Y176 H180 H181 L182Y176-T178 VanDerWaalsContact C-N 3.27Å; Y176-T178 PolarHBondContact O-N 2.83Å; T178-H180 VanDerWaalsContact C-N 3.29Å; T178-H180 PolarHBondContact O-N 2.89Å; T178-H181 PolarHBondContact O-N 2.63Å; T178-H181 WeakPolarHBondContact OG1-CB 3.35Å; T178-H181 VanDerWaalsContact OG1-CG 3.26Å; T178-H181 PolarHBondContact OG1-N 3.02Å; T178-H181 PolarHBondContact OG1-ND1 2.85Å; T178-L182 PolarHBondContact O-N 3.45Å
179A87.5Confident88.5Confident52 Ų5279.5 Ų79.543%0.4343%0.427SS..Hα-helixtrans-59-37.3174.800000113.1F165 L182 K183F165-A179 HydrophobicContact CD1-CB 4.04Å; F165-A179 VanDerWaalsContact CD2-N 3.33Å; F165-A179 HydrophobicContact CE1-CB 3.71Å; F165-A179 HydrophobicContact CE2-CB 4.29Å; F165-A179 VanDerWaalsContact CE2-N 3.31Å; F165-A179 HydrophobicContact CG-CB 4.47Å; F165-A179 HydrophobicContact CZ-CB 3.84Å; A179-L182 PolarHBondContact O-N 2.79Å; A179-K183 WeakPolarHBondContact O-CB 3.36Å; A179-K183 PolarHBondContact O-N 3.44Å
180H86.6Confident88.5Confident126 Ų12678.2 Ų78.258%0.58343%0.433SS*.Hα-helixtrans-60.1-49.4178.1-177.981.5000112T178 L182 K183 V184T178-H180 VanDerWaalsContact C-N 3.29Å; T178-H180 PolarHBondContact O-N 2.89Å; H180-L182 VanDerWaalsContact C-N 3.32Å; H180-L182 PolarHBondContact O-N 2.8Å; H180-K183 PolarHBondContact O-N 3.47Å; H180-V184 WeakPolarHBondContact O-CG2 3.37Å; H180-V184 PolarHBondContact O-N 2.89Å
181H88.6Confident88.5Confident104 Ų10471 Ų7148%0.48142%0.415SS..Hα-helixtrans-63.1-36.2176.4-67.9128.8000112.9Y176 T178 H185Y176-H181 HydrophobicContact CD1-CB 3.81Å; Y176-H181 HydrophobicContact CG-CB 4.36Å; T178-H181 PolarHBondContact O-N 2.63Å; T178-H181 WeakPolarHBondContact OG1-CB 3.35Å; T178-H181 VanDerWaalsContact OG1-CG 3.26Å; T178-H181 PolarHBondContact OG1-N 3.02Å; T178-H181 PolarHBondContact OG1-ND1 2.85Å; H181-H185 VanDerWaalsContact O-CB 3.31Å; H181-H185 WeakPolarHBondContact O-CB 3.05Å; H181-H185 PolarHBondContact O-N 3.19Å
182L90.8Very high88.9Confident19 Ų1970.4 Ų70.410%0.09939%0.392CS..Hα-helixtrans-61.2-49.6171.917261.4000110.8F165 C167 Y176 T178 A179 H180 V184 H185 E186F165-L182 HydrophobicContact CB-CB 3.97Å; F165-L182 HydrophobicContact CB-CD2 3.71Å; F165-L182 HydrophobicContact CB-CG 4.4Å; C167-L182 HydrophobicContact CB-CD1 3.75Å; Y176-L182 HydrophobicContact CD2-CB 3.92Å; Y176-L182 HydrophobicContact CD2-CD1 3.7Å; Y176-L182 HydrophobicContact CD2-CG 4.43Å; Y176-L182 HydrophobicContact CE2-CD1 4.02Å; Y176-L182 HydrophobicContact CG-CB 4.15Å; T178-L182 PolarHBondContact O-N 3.45Å; A179-L182 PolarHBondContact O-N 2.79Å; H180-L182 VanDerWaalsContact C-N 3.32Å; H180-L182 PolarHBondContact O-N 2.8Å; L182-V184 PolarHBondContact O-N 3.39Å; L182-H185 CarbonylContact O-C 3.54Å; L182-H185 WeakPolarHBondContact O-CA 3.42Å; L182-H185 WeakPolarHBondContact O-CB 3.26Å; L182-H185 PolarHBondContact O-N 2.95Å; L182-E186 HydrophobicContact CD1-CG 4.04Å; L182-E186 HydrophobicContact CG-CG 4.38Å; L182-E186 WeakPolarHBondContact O-CG 3.32Å; L182-E186 PolarHBondContact O-N 3.46Å
183K88.7Confident89Confident129 Ų12976.1 Ų76.156%0.56141%0.409SS*.Hα-helixtrans-60.6-43-180-171.7173-174.2173.50112.2A179 H180 H185 E186 R187A179-K183 WeakPolarHBondContact O-CB 3.36Å; A179-K183 PolarHBondContact O-N 3.44Å; H180-K183 PolarHBondContact O-N 3.47Å; K183-H185 VanDerWaalsContact C-N 3.28Å; K183-H185 PolarHBondContact O-N 3.19Å; K183-E186 PolarHBondContact O-N 3.46Å; K183-R187 PolarHBondContact O-N 3.26Å
184V89Confident89.3Confident32 Ų3277.3 Ų77.319%0.19441%0.41CS..Hα-helixtrans-63-37.2174.2170.70000111.3H180 L182 R187 T208H180-V184 WeakPolarHBondContact O-CG2 3.37Å; H180-V184 PolarHBondContact O-N 2.89Å; L182-V184 PolarHBondContact O-N 3.39Å; V184-R187 WeakPolarHBondContact O-CB 3.24Å; V184-T208 HydrophobicContact CB-CG2 4.47Å; V184-T208 HydrophobicContact CG1-CG2 3.43Å; V184-T208 VanDerWaalsContact CG1-CG2 3.43Å; V184-T208 HydrophobicContact CG2-CG2 4.14Å
185H89.6Confident89.5Confident22 Ų2274.3 Ų74.310%0.10240%0.399CS..Hα-helixtrans-69-39.4175.3166.364.2000113C172 Y176 H181 L182 K183 R187 A188 H189C172-H185 VanDerWaalsContact SG-CE1 3.52Å; C172-H185 PolarHBondContact SG-NE2 3.5Å; Y176-H185 HydrophobicContact CE1-CB 3.93Å; Y176-H185 HydrophobicContact CE2-CB 3.8Å; Y176-H185 AromaticContact CE2-CD2 3.23Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.41Å; Y176-H185 AromaticContact CE2-CG 3.59Å; Y176-H185 AromaticContact CE2-NE2 3.91Å; Y176-H185 VanDerWaalsContact CZ-CB 3.4Å; Y176-H185 AromaticContact CZ-CD2 3.44Å; Y176-H185 VanDerWaalsContact CZ-CD2 3.44Å; Y176-H185 AromaticContact CZ-CG 3.3Å; Y176-H185 AromaticContact CZ-ND1 3.91Å; Y176-H185 WeakPolarHBondContact OH-CB 3.48Å; Y176-H185 PolarHBondContact OH-CD2 3.2Å; Y176-H185 PolarHBondContact OH-CE1 2.8Å; Y176-H185 VanDerWaalsContact OH-CE1 3.28Å; Y176-H185 PolarHBondContact OH-ND1 3.25Å; Y176-H185 PolarHBondContact OH-NE2 3.47Å; H181-H185 VanDerWaalsContact O-CB 3.31Å; H181-H185 WeakPolarHBondContact O-CB 3.05Å; H181-H185 PolarHBondContact O-N 3.19Å; L182-H185 CarbonylContact O-C 3.54Å; L182-H185 WeakPolarHBondContact O-CA 3.42Å; L182-H185 WeakPolarHBondContact O-CB 3.26Å; L182-H185 PolarHBondContact O-N 2.95Å; K183-H185 VanDerWaalsContact C-N 3.28Å; K183-H185 PolarHBondContact O-N 3.19Å; H185-R187 PolarHBondContact O-N 3.03Å; H185-A188 WeakPolarHBondContact O-CA 3.38Å; H185-A188 WeakPolarHBondContact O-CB 3.5Å; H185-A188 PolarHBondContact O-N 3.03Å; H185-H189 AromaticContact CE1-NE2 3.44Å; H185-H189 PolarHBondContact CE1-NE2 2.95Å; H185-H189 AromaticContact NE2-CD2 3.85Å; H185-H189 AromaticContact NE2-NE2 3.31Å; H185-H189 PolarHBondContact NE2-NE2 3.27Å
186E89.5Confident89.5Confident75 Ų7578.9 Ų78.935%0.3541%0.411SS..Hα-helixtrans-59.9-32.2177.4-73.9174.2160.500112.1L182 K183 A188 H189 T190L182-E186 HydrophobicContact CD1-CG 4.04Å; L182-E186 HydrophobicContact CG-CG 4.38Å; L182-E186 WeakPolarHBondContact O-CG 3.32Å; L182-E186 PolarHBondContact O-N 3.46Å; K183-E186 PolarHBondContact O-N 3.46Å; E186-A188 PolarHBondContact O-N 2.79Å; E186-A188 VanDerWaalsContact O-N 3.16Å; E186-H189 WeakPolarHBondContact O-CA 3.4Å; E186-H189 WeakPolarHBondContact O-CB 3.4Å; E186-H189 PolarHBondContact O-N 3.35Å; E186-T190 PolarHBondContact O-N 3.04Å; E186-T190 PolarHBondContact O-OG1 3.4Å
187R91.4Very high89.7Confident37 Ų3777.4 Ų77.414%0.1441%0.406CS..Hα-helixtrans-56.7-28170.1-66.5-179.9179.6151.94.4113.4K183 V184 H185 H189 T190 G191 D192 A207K183-R187 PolarHBondContact O-N 3.26Å; V184-R187 WeakPolarHBondContact O-CB 3.24Å; H185-R187 PolarHBondContact O-N 3.03Å; R187-H189 VanDerWaalsContact C-N 3.28Å; R187-H189 PolarHBondContact O-N 3.31Å; R187-T190 WeakPolarHBondContact CA-OG1 3.22Å; R187-G191 CarbonylContact O-C 3.58Å; R187-G191 WeakPolarHBondContact O-CA 3.4Å; R187-G191 PolarHBondContact O-N 3.47Å; R187-D192 HydrophobicContact CB-CB 4.29Å; R187-D192 WeakPolarHBondContact CB-O 3.41Å; R187-D192 HydrophobicContact CG-CB 4.1Å; R187-D192 IonicContact NE-OD2 3.71Å; R187-D192 PolarHBondContact O-N 3.12Å; R187-A207 HydrophobicContact CB-CB 4.19Å; R187-A207 WeakPolarHBondContact CD-O 3.24Å; R187-A207 PolarHBondContact NH1-O 3.49Å
188A88.8Confident89.8Confident77 Ų7778.8 Ų78.864%0.63641%0.409SS*.Hα-helixtrans-71.4-24.2174.800000112.8H185 E186H185-A188 WeakPolarHBondContact O-CA 3.38Å; H185-A188 WeakPolarHBondContact O-CB 3.5Å; H185-A188 PolarHBondContact O-N 3.03Å; E186-A188 PolarHBondContact O-N 2.79Å; E186-A188 VanDerWaalsContact O-N 3.16Å
189H89.3Confident89.8Confident58 Ų5881.2 Ų81.227%0.26942%0.416SS..Hα-helixtrans-84.5-43.1174.5-70.2-61.3000112.1Y169 C172 H185 E186 R187 G191Y169-H189 HydrophobicContact CD1-CB 4.31Å; Y169-H189 AromaticContact CD1-CE1 3.67Å; Y169-H189 AromaticContact CD1-CG 3.76Å; Y169-H189 AromaticContact CD1-ND1 3.31Å; Y169-H189 VanDerWaalsContact CD1-ND1 3.31Å; Y169-H189 WeakPolarHBondContact CD1-ND1 3.42Å; Y169-H189 HydrophobicContact CD2-CB 3.62Å; Y169-H189 AromaticContact CD2-CG 3.82Å; Y169-H189 HydrophobicContact CE1-CB 4.47Å; Y169-H189 AromaticContact CE1-ND1 3.68Å; Y169-H189 HydrophobicContact CE2-CB 3.82Å; Y169-H189 HydrophobicContact CG-CB 3.87Å; Y169-H189 AromaticContact CG-CD2 3.88Å; Y169-H189 AromaticContact CG-CE1 3.99Å; Y169-H189 AromaticContact CG-CG 3.51Å; Y169-H189 AromaticContact CG-ND1 3.59Å; C172-H189 WeakPolarHBondContact CB-NE2 3.23Å; C172-H189 PolarHBondContact SG-NE2 2.89Å; H185-H189 AromaticContact CE1-NE2 3.44Å; H185-H189 PolarHBondContact CE1-NE2 2.95Å; H185-H189 AromaticContact NE2-CD2 3.85Å; H185-H189 AromaticContact NE2-NE2 3.31Å; H185-H189 PolarHBondContact NE2-NE2 3.27Å; E186-H189 WeakPolarHBondContact O-CA 3.4Å; E186-H189 WeakPolarHBondContact O-CB 3.4Å; E186-H189 PolarHBondContact O-N 3.35Å; R187-H189 VanDerWaalsContact C-N 3.28Å; R187-H189 PolarHBondContact O-N 3.31Å; H189-G191 VanDerWaalsContact C-N 3.3Å
190T88.1Confident89.6Confident104 Ų10483.5 Ų83.564%0.63843%0.426SS*.Hα-helixtrans-78.8-16.7-179.859.90000112.9E186 R187 D192E186-T190 PolarHBondContact O-N 3.04Å; E186-T190 PolarHBondContact O-OG1 3.4Å; R187-T190 WeakPolarHBondContact CA-OG1 3.22Å; T190-D192 PolarHBondContact O-N 3.48Å; T190-D192 VanDerWaalsContact OG1-CB 3.31Å; T190-D192 WeakPolarHBondContact OG1-CB 3.48Å; T190-D192 PolarHBondContact OG1-N 3.09Å
191G87.7Confident89.5Confident49 Ų4984.1 Ų84.151%0.50544%0.444SS..  trans74.37.1-17200000113.3R187 H189 R193R187-G191 CarbonylContact O-C 3.58Å; R187-G191 WeakPolarHBondContact O-CA 3.4Å; R187-G191 PolarHBondContact O-N 3.47Å; H189-G191 VanDerWaalsContact C-N 3.3Å; G191-R193 PolarHBondContact O-N 3.3Å
192D90.9Very high89.6Confident74 Ų7480.3 Ų80.340%0.39643%0.429SS..  trans-61.6124.7-179.3178.729.1000111R187 T190R187-D192 HydrophobicContact CB-CB 4.29Å; R187-D192 WeakPolarHBondContact CB-O 3.41Å; R187-D192 HydrophobicContact CG-CB 4.1Å; R187-D192 IonicContact NE-OD2 3.71Å; R187-D192 PolarHBondContact O-N 3.12Å; T190-D192 PolarHBondContact O-N 3.48Å; T190-D192 VanDerWaalsContact OG1-CB 3.31Å; T190-D192 WeakPolarHBondContact OG1-CB 3.48Å; T190-D192 PolarHBondContact OG1-N 3.09Å
193R90.8Very high89.4Confident147 Ų14782.8 Ų82.856%0.55546%0.46SS*.  trans-135.177.9-177.4-72168.7176-137.112.5108.7G191 Y195 A205 F206G191-R193 PolarHBondContact O-N 3.3Å; R193-Y195 PolarHBondContact O-N 3.44Å; R193-A205 HydrophobicContact CB-CB 3.56Å; R193-A205 WeakPolarHBondContact CD-O 3.48Å; R193-A205 HydrophobicContact CG-CB 4.49Å; R193-A205 PolarHBondContact NH1-O 3.29Å; R193-F206 CarbonylContact C-O 3.57Å; R193-F206 WeakPolarHBondContact CA-O 3.42Å
194P90.2Very high89.5Confident64 Ų6481.7 Ų81.742%0.41646%0.455SS..  trans-64.6-26.6-173.3-22.233.5000113.4R196P194-R196 PolarHBondContact O-N 2.87Å
195Y92.6Very high89.6Confident90 Ų9080.9 Ų80.935%0.35345%0.451SS..EExtended strand (participates in β ladder)trans-96.198.3-171.8-56-84.2000110.2R193 A205 F206R193-Y195 PolarHBondContact O-N 3.44Å; Y195-A205 CarbonylContact O-C 3.57Å; Y195-A205 VanDerWaalsContact O-CA 3.31Å; Y195-A205 WeakPolarHBondContact O-CA 3.38Å; Y195-F206 WeakPolarHBondContact CD2-O 3.34Å; Y195-F206 PolarHBondContact N-O 3.46Å; Y195-F206 VanDerWaalsContact N-O 3.17Å; Y195-F206 PolarHBondContact O-N 3.46Å
196R91.7Very high89.7Confident181 Ų18182 Ų8268%0.68346%0.456SS*.EExtended strand (participates in β ladder)trans-90.3147.9178.6-65.1-171.8175.1-137.51.2111.1P194 A205 L212P194-R196 PolarHBondContact O-N 2.87Å; R196-A205 HydrophobicContact CG-CB 3.9Å; R196-L212 WeakPolarHBondContact O-CD1 3.42Å; R196-L212 VanDerWaalsContact O-CD2 3.29Å; R196-L212 WeakPolarHBondContact O-CD2 3.4Å
197C93.9Very high89.7Confident11 Ų1180 Ų807%0.07445%0.452CS..  trans-84.5121.9173.1-175.10000109.7F199 K204 L212 H219C197-F199 PolarHBondContact O-N 2.98Å; C197-K204 VanDerWaalsContact CB-O 3.27Å; C197-K204 WeakPolarHBondContact CB-O 3.4Å; C197-K204 PolarHBondContact N-O 2.95Å; C197-L212 HydrophobicContact CB-CD1 3.82Å; C197-H219 PolarHBondContact SG-NE2 3.33Å; C197-H219 VanDerWaalsContact SG-NE2 3.4Å
198D90.6Very high89.7Confident151 Ų15180.4 Ų80.481%0.80746%0.459SS*.  trans-79.3-5.1-177.9-52.5-40.4000112.9
199F88.9Confident89.7Confident104 Ų10478.1 Ų78.146%0.45644%0.443SS..SBendtrans-66.8126.1-179.7-146.2-89.4000110.4C197 S201 C202 H219C197-F199 PolarHBondContact O-N 2.98Å; F199-S201 PolarHBondContact O-N 2.98Å; F199-C202 HydrophobicContact CB-CB 4.19Å; F199-C202 WeakPolarHBondContact O-CB 3.14Å; F199-C202 PolarHBondContact O-N 2.99Å; F199-C202 VanDerWaalsContact O-N 3.1Å; F199-H219 HydrophobicContact CD1-CB 4.11Å; F199-H219 AromaticContact CD1-CG 3.87Å; F199-H219 AromaticContact CD1-ND1 3.97Å; F199-H219 HydrophobicContact CD2-CB 3.62Å; F199-H219 AromaticContact CD2-CG 3.89Å; F199-H219 HydrophobicContact CE1-CB 4.14Å; F199-H219 HydrophobicContact CE2-CB 3.65Å; F199-H219 HydrophobicContact CG-CB 3.86Å; F199-H219 AromaticContact CG-CD2 3.65Å; F199-H219 AromaticContact CG-CG 3.63Å; F199-H219 HydrophobicContact CZ-CB 3.91Å
200P84.6Confident89.6Confident99 Ų9981.7 Ų81.764%0.64346%0.455SS*.THydrogen-bonded Turntrans-54.2140.7180-25.133.3000110.9C202P200-C202 PolarHBondContact O-N 3.1Å
201S83.6Confident89.6Confident139 Ų13977.6 Ų77.697%0.97243%0.433SS*.THydrogen-bonded Turntrans67.7-2.4-175.978.50000117.5F199F199-S201 PolarHBondContact O-N 2.98Å
202C90.8Very high89.8Confident25 Ų2576.7 Ų76.717%0.16942%0.416CS..THydrogen-bonded Turntrans-82.7-50.6-179.5-170.60000113.8F199 P200 K204 H215 H219F199-C202 HydrophobicContact CB-CB 4.19Å; F199-C202 WeakPolarHBondContact O-CB 3.14Å; F199-C202 PolarHBondContact O-N 2.99Å; F199-C202 VanDerWaalsContact O-N 3.1Å; P200-C202 PolarHBondContact O-N 3.1Å; C202-K204 PolarHBondContact O-N 3.29Å; C202-H215 PolarHBondContact SG-NE2 3.46Å; C202-H219 PolarHBondContact SG-CE1 3.41Å; C202-H219 PolarHBondContact SG-NE2 3.44Å
203G86.9Confident89.7Confident71 Ų7179.8 Ų79.873%0.73243%0.426SS*.  trans59.85.2178.800000116.1
204K90.7Very high89.6Confident105 Ų10574 Ų7446%0.45741%0.408SS..  trans-77.7136.4-175.8-72.4177.3-174.5171.60111.2C197 C202 F206C197-K204 VanDerWaalsContact CB-O 3.27Å; C197-K204 WeakPolarHBondContact CB-O 3.4Å; C197-K204 PolarHBondContact N-O 2.95Å; C202-K204 PolarHBondContact O-N 3.29Å; K204-F206 HydrophobicContact CB-CE2 3.87Å; K204-F206 HydrophobicContact CB-CZ 3.98Å
205A92Very high89.6Confident15 Ų1571.6 Ų71.612%0.12439%0.392CS..EExtended strand (participates in β ladder)trans-121.6147.3176.600000111.6R193 Y195 R196R193-A205 HydrophobicContact CB-CB 3.56Å; R193-A205 WeakPolarHBondContact CD-O 3.48Å; R193-A205 HydrophobicContact CG-CB 4.49Å; R193-A205 PolarHBondContact NH1-O 3.29Å; Y195-A205 CarbonylContact O-C 3.57Å; Y195-A205 VanDerWaalsContact O-CA 3.31Å; Y195-A205 WeakPolarHBondContact O-CA 3.38Å; R196-A205 HydrophobicContact CG-CB 3.9Å
206F91.6Very high89.4Confident47 Ų4769.9 Ų69.921%0.20639%0.391CS..EExtended strand (participates in β ladder)trans-126.5149.6-172.9-59.3-89000111.2R193 Y195 K204 T208 L212 H215R193-F206 CarbonylContact C-O 3.57Å; R193-F206 WeakPolarHBondContact CA-O 3.42Å; Y195-F206 WeakPolarHBondContact CD2-O 3.34Å; Y195-F206 PolarHBondContact N-O 3.46Å; Y195-F206 VanDerWaalsContact N-O 3.17Å; Y195-F206 PolarHBondContact O-N 3.46Å; K204-F206 HydrophobicContact CB-CE2 3.87Å; K204-F206 HydrophobicContact CB-CZ 3.98Å; F206-T208 VanDerWaalsContact C-N 3.29Å; F206-L212 HydrophobicContact CB-CB 4.39Å; F206-L212 HydrophobicContact CD2-CB 3.98Å; F206-L212 HydrophobicContact CD2-CD1 3.96Å; F206-L212 HydrophobicContact CE2-CD1 4.21Å; F206-L212 HydrophobicContact CG-CB 4.38Å; F206-H215 HydrophobicContact CD2-CB 4.45Å; F206-H215 HydrophobicContact CE1-CB 3.79Å; F206-H215 HydrophobicContact CE2-CB 3.61Å; F206-H215 AromaticContact CE2-CD2 3.27Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.38Å; F206-H215 AromaticContact CE2-CG 3.47Å; F206-H215 VanDerWaalsContact CE2-CG 3.47Å; F206-H215 HydrophobicContact CZ-CB 3.23Å; F206-H215 AromaticContact CZ-CD2 3.4Å; F206-H215 VanDerWaalsContact CZ-CD2 3.4Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.35Å; F206-H215 AromaticContact CZ-CG 3.11Å; F206-H215 AromaticContact CZ-ND1 3.77Å
207A89.5Confident89.4Confident31 Ų3162.4 Ų62.426%0.25636%0.362SS..SBendtrans-76.9-15.3177.100000113R187R187-A207 HydrophobicContact CB-CB 4.19Å; R187-A207 WeakPolarHBondContact CD-O 3.24Å; R187-A207 PolarHBondContact NH1-O 3.49Å
208T90.8Very high89.1Confident47 Ų4764.4 Ų64.429%0.28837%0.374SS..SBendtrans-138.2148.5-179.363.90000111.6V184 F206 Y210 G211 L212V184-T208 HydrophobicContact CB-CG2 4.47Å; V184-T208 HydrophobicContact CG1-CG2 3.43Å; V184-T208 VanDerWaalsContact CG1-CG2 3.43Å; V184-T208 HydrophobicContact CG2-CG2 4.14Å; F206-T208 VanDerWaalsContact C-N 3.29Å; T208-Y210 VanDerWaalsContact C-N 3.33Å; T208-Y210 PolarHBondContact O-N 2.87Å; T208-G211 PolarHBondContact O-N 3.34Å; T208-G211 VanDerWaalsContact O-N 3.11Å; T208-G211 PolarHBondContact OG1-N 3.13Å; T208-L212 PolarHBondContact O-N 3.45Å; T208-L212 VanDerWaalsContact O-N 3.17Å
209G88.8Confident88.9Confident29 Ų2959.9 Ų59.930%0.29935%0.348SS..Hα-helixtrans-63.1-36.3176.600000113G211 L212 K213G209-G211 VanDerWaalsContact C-N 3.3Å; G209-G211 PolarHBondContact O-N 3.08Å; G209-L212 PolarHBondContact O-N 3.28Å; G209-K213 PolarHBondContact O-N 2.79Å
210Y86.5Confident88.8Confident132 Ų13258.3 Ų58.352%0.51835%0.347SS..Hα-helixtrans-59.8-40.4171.8177-96.7000112.2T208 L212 K213 S214T208-Y210 VanDerWaalsContact C-N 3.33Å; T208-Y210 PolarHBondContact O-N 2.87Å; Y210-L212 VanDerWaalsContact C-N 3.35Å; Y210-K213 PolarHBondContact O-N 3.1Å; Y210-S214 WeakPolarHBondContact O-CB 3.49Å; Y210-S214 PolarHBondContact O-N 3.17Å
211G88.1Confident88.9Confident18 Ų1855.2 Ų55.219%0.18633%0.333CS..Hα-helixtrans-61.5-42.917600000112.2T208 G209 H215T208-G211 PolarHBondContact O-N 3.34Å; T208-G211 VanDerWaalsContact O-N 3.11Å; T208-G211 PolarHBondContact OG1-N 3.13Å; G209-G211 VanDerWaalsContact C-N 3.3Å; G209-G211 PolarHBondContact O-N 3.08Å; G211-H215 WeakPolarHBondContact O-CB 3.48Å; G211-H215 PolarHBondContact O-N 3.41Å
212L92.2Very high89.1Confident30 Ų3053.9 Ų53.916%0.15731%0.312CS..Hα-helixtrans-62.5-50.8173.1173.761.9000111.6R196 C197 F206 T208 G209 Y210 S214 H215 V216R196-L212 WeakPolarHBondContact O-CD1 3.42Å; R196-L212 VanDerWaalsContact O-CD2 3.29Å; R196-L212 WeakPolarHBondContact O-CD2 3.4Å; C197-L212 HydrophobicContact CB-CD1 3.82Å; F206-L212 HydrophobicContact CB-CB 4.39Å; F206-L212 HydrophobicContact CD2-CB 3.98Å; F206-L212 HydrophobicContact CD2-CD1 3.96Å; F206-L212 HydrophobicContact CE2-CD1 4.21Å; F206-L212 HydrophobicContact CG-CB 4.38Å; T208-L212 PolarHBondContact O-N 3.45Å; T208-L212 VanDerWaalsContact O-N 3.17Å; G209-L212 PolarHBondContact O-N 3.28Å; Y210-L212 VanDerWaalsContact C-N 3.35Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 2.9Å; L212-H215 CarbonylContact O-C 3.59Å; L212-H215 WeakPolarHBondContact O-CA 3.42Å; L212-H215 WeakPolarHBondContact O-CB 3.48Å; L212-H215 PolarHBondContact O-N 3.49Å; L212-V216 HydrophobicContact CD1-CG2 3.99Å; L212-V216 HydrophobicContact CG-CG2 4.36Å; L212-V216 WeakPolarHBondContact O-CG2 3.48Å; L212-V216 PolarHBondContact O-N 3.43Å
213K89Confident89Confident139 Ų13958.1 Ų58.160%0.60433%0.327SS*.Hα-helixtrans-57.2-44.8179.5-172.6171.8-173.7170.10112G209 Y210 H215 V216G209-K213 PolarHBondContact O-N 2.79Å; Y210-K213 PolarHBondContact O-N 3.1Å; K213-H215 VanDerWaalsContact C-N 3.27Å; K213-H215 PolarHBondContact O-N 3.02Å; K213-V216 PolarHBondContact O-N 2.98Å
214S88.3Confident89Confident25 Ų2557.9 Ų57.918%0.17531%0.313CS..Hα-helixtrans-65.1-31.5175.1-1770000112.6Y210 L212 T238Y210-S214 WeakPolarHBondContact O-CB 3.49Å; Y210-S214 PolarHBondContact O-N 3.17Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 2.9Å; S214-T238 VanDerWaalsContact OG-CG2 3.27Å; S214-T238 WeakPolarHBondContact OG-CG2 3.32Å
215H90.1Very high89Confident15 Ų1556.1 Ų56.17%0.06930%0.304CS..Hα-helixtrans-75.1-38.8176.9170.559.1000112.6C202 F206 G211 L212 K213 R217 T218 H219C202-H215 PolarHBondContact SG-NE2 3.46Å; F206-H215 HydrophobicContact CD2-CB 4.45Å; F206-H215 HydrophobicContact CE1-CB 3.79Å; F206-H215 HydrophobicContact CE2-CB 3.61Å; F206-H215 AromaticContact CE2-CD2 3.27Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.38Å; F206-H215 AromaticContact CE2-CG 3.47Å; F206-H215 VanDerWaalsContact CE2-CG 3.47Å; F206-H215 HydrophobicContact CZ-CB 3.23Å; F206-H215 AromaticContact CZ-CD2 3.4Å; F206-H215 VanDerWaalsContact CZ-CD2 3.4Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.35Å; F206-H215 AromaticContact CZ-CG 3.11Å; F206-H215 AromaticContact CZ-ND1 3.77Å; G211-H215 WeakPolarHBondContact O-CB 3.48Å; G211-H215 PolarHBondContact O-N 3.41Å; L212-H215 CarbonylContact O-C 3.59Å; L212-H215 WeakPolarHBondContact O-CA 3.42Å; L212-H215 WeakPolarHBondContact O-CB 3.48Å; L212-H215 PolarHBondContact O-N 3.49Å; K213-H215 VanDerWaalsContact C-N 3.27Å; K213-H215 PolarHBondContact O-N 3.02Å; H215-R217 PolarHBondContact O-N 2.82Å; H215-T218 PolarHBondContact CE1-OG1 2.89Å; H215-T218 PolarHBondContact ND1-OG1 3.1Å; H215-T218 WeakPolarHBondContact O-CA 3.46Å; H215-T218 WeakPolarHBondContact O-CB 3.25Å; H215-T218 WeakPolarHBondContact O-CG2 3.45Å; H215-T218 PolarHBondContact O-N 3.1Å; H215-T218 PolarHBondContact O-OG1 3.27Å; H215-H219 AromaticContact CE1-CE1 3.97Å; H215-H219 AromaticContact CE1-NE2 3.53Å; H215-H219 AromaticContact NE2-CD2 3.96Å; H215-H219 AromaticContact NE2-CE1 3.91Å; H215-H219 AromaticContact NE2-NE2 3.12Å; H215-H219 PolarHBondContact NE2-NE2 3.22Å; H215-H219 VanDerWaalsContact NE2-NE2 3.12Å
216V89.8Confident88.9Confident54 Ų5463 Ų6333%0.32733%0.331SS..Hα-helixtrans-57.3-35.3177.7170.20000111.3L212 K213 T218 H219 T220L212-V216 HydrophobicContact CD1-CG2 3.99Å; L212-V216 HydrophobicContact CG-CG2 4.36Å; L212-V216 WeakPolarHBondContact O-CG2 3.48Å; L212-V216 PolarHBondContact O-N 3.43Å; K213-V216 PolarHBondContact O-N 2.98Å; V216-T218 PolarHBondContact O-N 3.24Å; V216-H219 WeakPolarHBondContact O-CB 3.24Å; V216-H219 PolarHBondContact O-N 3.13Å; V216-T220 HydrophobicContact CG1-CG2 4.15Å; V216-T220 PolarHBondContact O-N 3.48Å; V216-T220 VanDerWaalsContact O-N 3.15Å
217R90.3Very high88.9Confident24 Ų2461.4 Ų61.49%0.09133%0.325CS..THydrogen-bonded Turntrans-57.4-13.5170.4-63.7176.5-179.1151.30.3114.6H215 G221 E222 K237H215-R217 PolarHBondContact O-N 2.82Å; R217-G221 PolarHBondContact O-N 3.1Å; R217-E222 HydrophobicContact CG-CB 4.26Å; R217-K237 HydrophobicContact CB-CB 4.42Å; R217-K237 HydrophobicContact CB-CD 4.45Å; R217-K237 HydrophobicContact CB-CG 4.38Å; R217-K237 WeakPolarHBondContact CD-O 3.49Å; R217-K237 PolarHBondContact NH1-O 3.29Å; R217-K237 WeakPolarHBondContact O-CE 3.47Å
218T87.6Confident88.8Confident53 Ų5364.5 Ų64.533%0.32534%0.343SS..THydrogen-bonded Turntrans-80.2-25.8173.371.10000113.5H215 V216 K237H215-T218 PolarHBondContact CE1-OG1 2.89Å; H215-T218 PolarHBondContact ND1-OG1 3.1Å; H215-T218 WeakPolarHBondContact O-CA 3.46Å; H215-T218 WeakPolarHBondContact O-CB 3.25Å; H215-T218 WeakPolarHBondContact O-CG2 3.45Å; H215-T218 PolarHBondContact O-N 3.1Å; H215-T218 PolarHBondContact O-OG1 3.27Å; V216-T218 PolarHBondContact O-N 3.24Å; T218-K237 HydrophobicContact CG2-CD 4.13Å
219H87.6Confident88.7Confident55 Ų5566.6 Ų66.626%0.25535%0.35SS..THydrogen-bonded Turntrans-85.7-52.4174.1-57.2-53000110.6C197 F199 C202 H215 V216 G221C197-H219 PolarHBondContact SG-NE2 3.33Å; C197-H219 VanDerWaalsContact SG-NE2 3.4Å; F199-H219 HydrophobicContact CD1-CB 4.11Å; F199-H219 AromaticContact CD1-CG 3.87Å; F199-H219 AromaticContact CD1-ND1 3.97Å; F199-H219 HydrophobicContact CD2-CB 3.62Å; F199-H219 AromaticContact CD2-CG 3.89Å; F199-H219 HydrophobicContact CE1-CB 4.14Å; F199-H219 HydrophobicContact CE2-CB 3.65Å; F199-H219 HydrophobicContact CG-CB 3.86Å; F199-H219 AromaticContact CG-CD2 3.65Å; F199-H219 AromaticContact CG-CG 3.63Å; F199-H219 HydrophobicContact CZ-CB 3.91Å; C202-H219 PolarHBondContact SG-CE1 3.41Å; C202-H219 PolarHBondContact SG-NE2 3.44Å; H215-H219 AromaticContact CE1-CE1 3.97Å; H215-H219 AromaticContact CE1-NE2 3.53Å; H215-H219 AromaticContact NE2-CD2 3.96Å; H215-H219 AromaticContact NE2-CE1 3.91Å; H215-H219 AromaticContact NE2-NE2 3.12Å; H215-H219 PolarHBondContact NE2-NE2 3.22Å; H215-H219 VanDerWaalsContact NE2-NE2 3.12Å; V216-H219 WeakPolarHBondContact O-CB 3.24Å; V216-H219 PolarHBondContact O-N 3.13Å; H219-G221 PolarHBondContact O-N 3.21Å
220T86.7Confident88.4Confident72 Ų7273.5 Ų73.544%0.44237%0.374SS..SBendtrans-71.1-16.2-178.364.20000113.6V216 E222V216-T220 HydrophobicContact CG1-CG2 4.15Å; V216-T220 PolarHBondContact O-N 3.48Å; V216-T220 VanDerWaalsContact O-N 3.15Å; T220-E222 PolarHBondContact O-N 2.73Å; T220-E222 VanDerWaalsContact O-N 3.17Å; T220-E222 WeakPolarHBondContact OG1-CG 3.47Å; T220-E222 PolarHBondContact OG1-N 3.47Å
221G86.1Confident88.2Confident34 Ų3474.6 Ų74.635%0.35139%0.388SS..  trans73.7-1.5-177.300000114.6R217 H219 K223R217-G221 PolarHBondContact O-N 3.1Å; H219-G221 PolarHBondContact O-N 3.21Å; G221-K223 PolarHBondContact O-N 2.95Å
222E87Confident88.2Confident110 Ų11074.4 Ų74.451%0.51438%0.384SS..  trans-54.4132.2179.7-75.4176.4-165.500112.5R217 T220R217-E222 HydrophobicContact CG-CB 4.26Å; T220-E222 PolarHBondContact O-N 2.73Å; T220-E222 VanDerWaalsContact O-N 3.17Å; T220-E222 WeakPolarHBondContact OG1-CG 3.47Å; T220-E222 PolarHBondContact OG1-N 3.47Å
223K89.3Confident88Confident114 Ų11478.9 Ų78.950%0.49642%0.418SS..  trans-129.579.3177-72.3163171.3-173.10109.5G221 Y225 A235 F236 K237G221-K223 PolarHBondContact O-N 2.95Å; K223-Y225 PolarHBondContact O-N 3.43Å; K223-A235 HydrophobicContact CB-CB 3.61Å; K223-A235 HydrophobicContact CD-CB 4.26Å; K223-A235 WeakPolarHBondContact CD-O 3.42Å; K223-F236 CarbonylContact C-O 3.22Å; K223-F236 VanDerWaalsContact C-O 3.28Å; K223-F236 VanDerWaalsContact CA-O 3.29Å; K223-F236 WeakPolarHBondContact CA-O 3.38Å; K223-K237 HydrophobicContact CG-CG 4.12Å
224P87.9Confident87.9Confident67 Ų6778.3 Ų78.344%0.43542%0.415SS..  trans-66.1-22.9-173.3-22.534.9000113.8K226P224-K226 PolarHBondContact O-N 3.44Å
225Y89.7Confident88Confident67 Ų6778.4 Ų78.426%0.26342%0.417SS..EExtended strand (participates in β ladder)trans-97.793.7-173-56.8-82000110.1K223 A235 F236 K237K223-Y225 PolarHBondContact O-N 3.43Å; Y225-A235 CarbonylContact O-C 3.56Å; Y225-A235 WeakPolarHBondContact O-CA 3.24Å; Y225-F236 WeakPolarHBondContact CD2-O 3.32Å; Y225-F236 PolarHBondContact N-O 3.32Å; Y225-F236 VanDerWaalsContact N-O 3.13Å; Y225-F236 PolarHBondContact O-N 2.78Å; Y225-K237 WeakPolarHBondContact CE2-O 3.3Å
226K90Very high87.9Confident160 Ų16079.7 Ų79.770%0.69642%0.423SS*.EExtended strand (participates in β ladder)trans-81.7145.3177.1-62.4-178.2-178.6178.70110.7P224 A235 L242P224-K226 PolarHBondContact O-N 3.44Å; K226-A235 HydrophobicContact CG-CB 4.08Å; K226-L242 WeakPolarHBondContact O-CD2 3.4Å
227C92.6Very high87.8Confident13 Ų1380.1 Ų80.19%0.08842%0.42CS..  trans-65.1132.9169.9-172.60000109.3E229 C232 K234 L242 H249C227-E229 PolarHBondContact O-N 2.99Å; C227-C232 HydrophobicContact CB-CB 4.33Å; C227-C232 WeakPolarHBondContact CB-O 3.42Å; C227-K234 VanDerWaalsContact CB-O 3.24Å; C227-K234 WeakPolarHBondContact CB-O 3.4Å; C227-K234 PolarHBondContact N-O 3.35Å; C227-L242 HydrophobicContact CB-CD1 4.27Å; C227-H249 VanDerWaalsContact SG-CD2 3.56Å; C227-H249 PolarHBondContact SG-NE2 3.46Å
228P86.4Confident87.6Confident97 Ų9780 Ų8063%0.6342%0.422SS*.SBendtrans-76.1-12.7178.831.1-35.8000113.2E230P228-E230 PolarHBondContact O-N 3.31Å
229E87.8Confident87.6Confident91 Ų9180.1 Ų80.143%0.42543%0.425SS..  trans-73.3121.8178.8-170.364.4-121.400111.1C227 L231 C232C227-E229 PolarHBondContact O-N 2.99Å; E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 3.38Å; E229-C232 HydrophobicContact CB-CB 3.89Å; E229-C232 HydrophobicContact CG-CB 4.19Å; E229-C232 CarbonylContact O-C 3.43Å; E229-C232 WeakPolarHBondContact O-CA 3.39Å; E229-C232 PolarHBondContact O-N 3.18Å
230E82.7Confident87.6Confident174 Ų17479 Ų7981%0.81343%0.429SS*.THydrogen-bonded Turntrans-62.9-33.9-174.5-66.3-60.1145.200112.7P228 C232P228-E230 PolarHBondContact O-N 3.31Å; E230-C232 PolarHBondContact O-N 3.34Å
231L83.5Confident87.6Confident155 Ų15578.5 Ų78.581%0.81242%0.423SS*.THydrogen-bonded Turntrans-77.2-1.3174.6-62.8176000113E229E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 3.38Å
232C87.8Confident87.9Confident13 Ų1377.9 Ų77.99%0.08841%0.412CS..  trans-125.395.6-178.1-161.10000113.3C227 E229 E230 K234 H245 H249C227-C232 HydrophobicContact CB-CB 4.33Å; C227-C232 WeakPolarHBondContact CB-O 3.42Å; E229-C232 HydrophobicContact CB-CB 3.89Å; E229-C232 HydrophobicContact CG-CB 4.19Å; E229-C232 CarbonylContact O-C 3.43Å; E229-C232 WeakPolarHBondContact O-CA 3.39Å; E229-C232 PolarHBondContact O-N 3.18Å; E230-C232 PolarHBondContact O-N 3.34Å; C232-K234 PolarHBondContact O-N 3.27Å; C232-H245 PolarHBondContact SG-NE2 2.73Å; C232-H249 WeakPolarHBondContact CB-NE2 3.43Å; C232-H249 PolarHBondContact SG-CE1 3.29Å; C232-H249 PolarHBondContact SG-NE2 3.28Å; C232-H249 VanDerWaalsContact SG-NE2 3.44Å
233S87.1Confident87.9Confident125 Ų12577.9 Ų77.987%0.87441%0.412SS*.  trans-76.920.9176.6-37.20000114.7
234K88.1Confident87.8Confident126 Ų12677 Ų7755%0.54841%0.408SS..  trans-79.8137.7-177.3-72.4178.8-177.6168.20111.3C227 C232 F236C227-K234 VanDerWaalsContact CB-O 3.24Å; C227-K234 WeakPolarHBondContact CB-O 3.4Å; C227-K234 PolarHBondContact N-O 3.35Å; C232-K234 PolarHBondContact O-N 3.27Å; K234-F236 HydrophobicContact CB-CE2 3.96Å; K234-F236 HydrophobicContact CB-CZ 4.03Å
235A89.4Confident87.9Confident27 Ų2774.5 Ų74.522%0.22339%0.391CS..EExtended strand (participates in β ladder)trans-128.7149.5176.500000112.3K223 Y225 K226K223-A235 HydrophobicContact CB-CB 3.61Å; K223-A235 HydrophobicContact CD-CB 4.26Å; K223-A235 WeakPolarHBondContact CD-O 3.42Å; Y225-A235 CarbonylContact O-C 3.56Å; Y225-A235 WeakPolarHBondContact O-CA 3.24Å; K226-A235 HydrophobicContact CG-CB 4.08Å
236F89.4Confident87.8Confident43 Ų4372.9 Ų72.919%0.18939%0.388CS..EExtended strand (participates in β ladder)trans-127155.2-170.1-58.2-89.5000112.1K223 Y225 K234 D241 L242 H245K223-F236 CarbonylContact C-O 3.22Å; K223-F236 VanDerWaalsContact C-O 3.28Å; K223-F236 VanDerWaalsContact CA-O 3.29Å; K223-F236 WeakPolarHBondContact CA-O 3.38Å; Y225-F236 WeakPolarHBondContact CD2-O 3.32Å; Y225-F236 PolarHBondContact N-O 3.32Å; Y225-F236 VanDerWaalsContact N-O 3.13Å; Y225-F236 PolarHBondContact O-N 2.78Å; K234-F236 HydrophobicContact CB-CE2 3.96Å; K234-F236 HydrophobicContact CB-CZ 4.03Å; F236-D241 HydrophobicContact CB-CB 4.22Å; F236-D241 HydrophobicContact CD1-CB 3.99Å; F236-D241 HydrophobicContact CG-CB 4.38Å; F236-L242 HydrophobicContact CB-CB 4.24Å; F236-L242 HydrophobicContact CD2-CB 3.95Å; F236-L242 HydrophobicContact CD2-CD1 3.87Å; F236-L242 HydrophobicContact CE2-CD1 4.16Å; F236-L242 HydrophobicContact CG-CB 4.26Å; F236-H245 HydrophobicContact CE1-CB 3.79Å; F236-H245 HydrophobicContact CE2-CB 3.69Å; F236-H245 AromaticContact CE2-CD2 3.17Å; F236-H245 WeakPolarHBondContact CE2-CD2 3.36Å; F236-H245 AromaticContact CE2-CG 3.53Å; F236-H245 HydrophobicContact CZ-CB 3.27Å; F236-H245 AromaticContact CZ-CD2 3.29Å; F236-H245 WeakPolarHBondContact CZ-CD2 3.38Å; F236-H245 AromaticContact CZ-CG 3.16Å; F236-H245 AromaticContact CZ-ND1 3.92Å
237K86.6Confident87.7Confident63 Ų6367.9 Ų67.927%0.27437%0.365SS..SBendtrans-81.5-21.6-179.5-62.4179176.7172.90112.9R217 T218 K223 Y225R217-K237 HydrophobicContact CB-CB 4.42Å; R217-K237 HydrophobicContact CB-CD 4.45Å; R217-K237 HydrophobicContact CB-CG 4.38Å; R217-K237 WeakPolarHBondContact CD-O 3.49Å; R217-K237 PolarHBondContact NH1-O 3.29Å; R217-K237 WeakPolarHBondContact O-CE 3.47Å; T218-K237 HydrophobicContact CG2-CD 4.13Å; K223-K237 HydrophobicContact CG-CG 4.12Å; Y225-K237 WeakPolarHBondContact CE2-O 3.3Å
238T87.4Confident87.4Confident20 Ų2070.6 Ų70.612%0.12338%0.381CS..SBendtrans-134.8149.5-179.275.80000110.7S214 G240 D241 L242S214-T238 VanDerWaalsContact OG-CG2 3.27Å; S214-T238 WeakPolarHBondContact OG-CG2 3.32Å; T238-G240 VanDerWaalsContact C-N 3.28Å; T238-G240 PolarHBondContact O-N 3.15Å; T238-D241 PolarHBondContact O-N 3.5Å; T238-D241 WeakPolarHBondContact OG1-CB 3.48Å; T238-D241 PolarHBondContact OG1-N 3.46Å; T238-D241 VanDerWaalsContact OG1-N 3.14Å; T238-D241 PolarHBondContact OG1-OD2 2.79Å; T238-L242 PolarHBondContact O-N 3.37Å
239S87.4Confident87.4Confident56 Ų5668.3 Ų68.339%0.39236%0.361SS..Hα-helixtrans-61.4-37.7174.455.30000111.7D241 L242 Q243S239-D241 VanDerWaalsContact C-N 3.3Å; S239-D241 PolarHBondContact O-N 3.45Å; S239-L242 WeakPolarHBondContact O-CB 3.48Å; S239-L242 PolarHBondContact O-N 3.42Å; S239-Q243 WeakPolarHBondContact O-CG 3.29Å; S239-Q243 PolarHBondContact O-N 3.47Å
240G86.3Confident87.3Confident33 Ų3367.8 Ų67.834%0.3437%0.365SS..Hα-helixtrans-63.7-32.5177.900000113.5T238 K244T238-G240 VanDerWaalsContact C-N 3.28Å; T238-G240 PolarHBondContact O-N 3.15Å; G240-K244 WeakPolarHBondContact O-CE 3.49Å; G240-K244 VanDerWaalsContact O-CG 3.29Å; G240-K244 WeakPolarHBondContact O-CG 3.17Å; G240-K244 PolarHBondContact O-N 3.34Å
241D87.8Confident87.5Confident60 Ų6061.7 Ų61.732%0.32135%0.348SS..Hα-helixtrans-77.5-36.4175.3-63.6-34.6000112F236 T238 S239 K244 H245F236-D241 HydrophobicContact CB-CB 4.22Å; F236-D241 HydrophobicContact CD1-CB 3.99Å; F236-D241 HydrophobicContact CG-CB 4.38Å; T238-D241 PolarHBondContact O-N 3.5Å; T238-D241 WeakPolarHBondContact OG1-CB 3.48Å; T238-D241 PolarHBondContact OG1-N 3.46Å; T238-D241 VanDerWaalsContact OG1-N 3.14Å; T238-D241 PolarHBondContact OG1-OD2 2.79Å; S239-D241 VanDerWaalsContact C-N 3.3Å; S239-D241 PolarHBondContact O-N 3.45Å; D241-K244 PolarHBondContact O-N 2.95Å; D241-K244 IonicContact OD1-NZ 2.83Å; D241-K244 PolarHBondContact OD1-NZ 3.23Å; D241-H245 WeakPolarHBondContact O-CB 3.47Å; D241-H245 PolarHBondContact O-N 3.04Å
242L91.1Very high87.6Confident22 Ų2259.7 Ų59.712%0.11534%0.335CS..Hα-helixtrans-58-49168.9170.262.8000110.7K226 C227 F236 T238 S239 K244 H245 V246K226-L242 WeakPolarHBondContact O-CD2 3.4Å; C227-L242 HydrophobicContact CB-CD1 4.27Å; F236-L242 HydrophobicContact CB-CB 4.24Å; F236-L242 HydrophobicContact CD2-CB 3.95Å; F236-L242 HydrophobicContact CD2-CD1 3.87Å; F236-L242 HydrophobicContact CE2-CD1 4.16Å; F236-L242 HydrophobicContact CG-CB 4.26Å; T238-L242 PolarHBondContact O-N 3.37Å; S239-L242 WeakPolarHBondContact O-CB 3.48Å; S239-L242 PolarHBondContact O-N 3.42Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 3.4Å; L242-H245 CarbonylContact O-C 3.47Å; L242-H245 WeakPolarHBondContact O-CA 3.42Å; L242-H245 WeakPolarHBondContact O-CB 3.36Å; L242-H245 PolarHBondContact O-N 3.19Å; L242-V246 HydrophobicContact CD1-CG2 3.86Å; L242-V246 HydrophobicContact CG-CG2 4.25Å; L242-V246 WeakPolarHBondContact O-CG2 3.47Å; L242-V246 PolarHBondContact O-N 3.3Å
243Q88.3Confident87.7Confident109 Ų10965.8 Ų65.851%0.50936%0.356SS..Hα-helixtrans-60.1-39.8179.3-74.4-64.6-2900112.7S239 H245 V246 R247S239-Q243 WeakPolarHBondContact O-CG 3.29Å; S239-Q243 PolarHBondContact O-N 3.47Å; Q243-H245 VanDerWaalsContact C-N 3.29Å; Q243-H245 PolarHBondContact O-N 3.41Å; Q243-V246 PolarHBondContact O-N 2.8Å; Q243-R247 PolarHBondContact O-N 2.69Å
244K87.4Confident87.8Confident95 Ų9563.2 Ų63.241%0.41334%0.336SS..Hα-helixtrans-65-34.7172.8-69.4169.2-149.8154.40112.2G240 D241 L242 T268G240-K244 WeakPolarHBondContact O-CE 3.49Å; G240-K244 VanDerWaalsContact O-CG 3.29Å; G240-K244 WeakPolarHBondContact O-CG 3.17Å; G240-K244 PolarHBondContact O-N 3.34Å; D241-K244 PolarHBondContact O-N 2.95Å; D241-K244 IonicContact OD1-NZ 2.83Å; D241-K244 PolarHBondContact OD1-NZ 3.23Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 3.4Å; K244-T268 HydrophobicContact CD-CG2 4.38Å; K244-T268 HydrophobicContact CG-CG2 4.33Å
245H89.1Confident87.9Confident16 Ų1659.6 Ų59.67%0.07432%0.321CS..Hα-helixtrans-72.5-41.8177170.853.2000112.4C232 F236 D241 L242 Q243 R247 T248 H249C232-H245 PolarHBondContact SG-NE2 2.73Å; F236-H245 HydrophobicContact CE1-CB 3.79Å; F236-H245 HydrophobicContact CE2-CB 3.69Å; F236-H245 AromaticContact CE2-CD2 3.17Å; F236-H245 WeakPolarHBondContact CE2-CD2 3.36Å; F236-H245 AromaticContact CE2-CG 3.53Å; F236-H245 HydrophobicContact CZ-CB 3.27Å; F236-H245 AromaticContact CZ-CD2 3.29Å; F236-H245 WeakPolarHBondContact CZ-CD2 3.38Å; F236-H245 AromaticContact CZ-CG 3.16Å; F236-H245 AromaticContact CZ-ND1 3.92Å; D241-H245 WeakPolarHBondContact O-CB 3.47Å; D241-H245 PolarHBondContact O-N 3.04Å; L242-H245 CarbonylContact O-C 3.47Å; L242-H245 WeakPolarHBondContact O-CA 3.42Å; L242-H245 WeakPolarHBondContact O-CB 3.36Å; L242-H245 PolarHBondContact O-N 3.19Å; Q243-H245 VanDerWaalsContact C-N 3.29Å; Q243-H245 PolarHBondContact O-N 3.41Å; H245-R247 PolarHBondContact O-N 3.42Å; H245-R247 VanDerWaalsContact O-N 3.15Å; H245-T248 PolarHBondContact ND1-OG1 3.22Å; H245-T248 WeakPolarHBondContact O-CA 3.41Å; H245-T248 VanDerWaalsContact O-CB 3.32Å; H245-T248 WeakPolarHBondContact O-CB 3.34Å; H245-T248 WeakPolarHBondContact O-CG2 3.27Å; H245-T248 PolarHBondContact O-N 2.87Å; H245-T248 PolarHBondContact O-OG1 3.13Å; H245-H249 AromaticContact CD2-NE2 3.98Å; H245-H249 AromaticContact CE1-CE1 3.66Å; H245-H249 AromaticContact CE1-NE2 3.41Å; H245-H249 PolarHBondContact CE1-NE2 3.11Å; H245-H249 AromaticContact NE2-CE1 3.8Å; H245-H249 AromaticContact NE2-NE2 3.13Å; H245-H249 PolarHBondContact NE2-NE2 3.41Å; H245-H249 VanDerWaalsContact NE2-NE2 3.13Å
246V87.5Confident88.1Confident32 Ų3267.5 Ų67.519%0.19435%0.345CS..Hα-helixtrans-56.7-34.2178.7169.90000111.3L242 Q243 T248 H249 T250L242-V246 HydrophobicContact CD1-CG2 3.86Å; L242-V246 HydrophobicContact CG-CG2 4.25Å; L242-V246 WeakPolarHBondContact O-CG2 3.47Å; L242-V246 PolarHBondContact O-N 3.3Å; Q243-V246 PolarHBondContact O-N 2.8Å; V246-T248 PolarHBondContact O-N 2.77Å; V246-H249 WeakPolarHBondContact O-CB 3.48Å; V246-H249 PolarHBondContact O-N 3.44Å; V246-T250 HydrophobicContact CG1-CG2 4.1Å; V246-T250 PolarHBondContact O-N 3.18Å; V246-T250 VanDerWaalsContact O-N 3.1Å
247R88.5Confident88.3Confident56 Ų5666.2 Ų66.221%0.21134%0.341CS..THydrogen-bonded Turntrans-58.8-17171.9-64.9179.9-168.5148.88.2114.9Q243 H245 H249 T250 G251 E252 T267Q243-R247 PolarHBondContact O-N 2.69Å; H245-R247 PolarHBondContact O-N 3.42Å; H245-R247 VanDerWaalsContact O-N 3.15Å; R247-H249 VanDerWaalsContact C-N 3.35Å; R247-T250 WeakPolarHBondContact CA-OG1 3.33Å; R247-G251 WeakPolarHBondContact O-CA 3.44Å; R247-G251 PolarHBondContact O-N 3.12Å; R247-E252 HydrophobicContact CB-CB 4.41Å; R247-E252 HydrophobicContact CG-CB 4.15Å; R247-E252 PolarHBondContact O-N 3.46Å; R247-T267 PolarHBondContact NH1-O 3.43Å
248T86.9Confident88.5Confident70 Ų7067.4 Ų67.443%0.42936%0.355SS..THydrogen-bonded Turntrans-79.6-20.5173.671.20000112.9H245 V246H245-T248 PolarHBondContact ND1-OG1 3.22Å; H245-T248 WeakPolarHBondContact O-CA 3.41Å; H245-T248 VanDerWaalsContact O-CB 3.32Å; H245-T248 WeakPolarHBondContact O-CB 3.34Å; H245-T248 WeakPolarHBondContact O-CG2 3.27Å; H245-T248 PolarHBondContact O-N 2.87Å; H245-T248 PolarHBondContact O-OG1 3.13Å; V246-T248 PolarHBondContact O-N 2.77Å
249H85.3Confident88.6Confident48 Ų4870.1 Ų70.122%0.22237%0.365CS..THydrogen-bonded Turntrans-89.3-45.9174.2-57.1-44.3000110.5C227 C232 H245 V246 R247 G251C227-H249 VanDerWaalsContact SG-CD2 3.56Å; C227-H249 PolarHBondContact SG-NE2 3.46Å; C232-H249 WeakPolarHBondContact CB-NE2 3.43Å; C232-H249 PolarHBondContact SG-CE1 3.29Å; C232-H249 PolarHBondContact SG-NE2 3.28Å; C232-H249 VanDerWaalsContact SG-NE2 3.44Å; H245-H249 AromaticContact CD2-NE2 3.98Å; H245-H249 AromaticContact CE1-CE1 3.66Å; H245-H249 AromaticContact CE1-NE2 3.41Å; H245-H249 PolarHBondContact CE1-NE2 3.11Å; H245-H249 AromaticContact NE2-CE1 3.8Å; H245-H249 AromaticContact NE2-NE2 3.13Å; H245-H249 PolarHBondContact NE2-NE2 3.41Å; H245-H249 VanDerWaalsContact NE2-NE2 3.13Å; V246-H249 WeakPolarHBondContact O-CB 3.48Å; V246-H249 PolarHBondContact O-N 3.44Å; R247-H249 VanDerWaalsContact C-N 3.35Å; H249-G251 VanDerWaalsContact C-N 3.25Å; H249-G251 PolarHBondContact O-N 3.45Å
250T85.6Confident88.7Confident80 Ų8076.3 Ų76.349%0.49139%0.388SS..SBendtrans-76.5-11.5-179.265.30000113.8V246 R247 E252V246-T250 HydrophobicContact CG1-CG2 4.1Å; V246-T250 PolarHBondContact O-N 3.18Å; V246-T250 VanDerWaalsContact O-N 3.1Å; R247-T250 WeakPolarHBondContact CA-OG1 3.33Å; T250-E252 PolarHBondContact O-N 3.32Å; T250-E252 VanDerWaalsContact O-N 3.13Å; T250-E252 WeakPolarHBondContact OG1-CG 3.29Å; T250-E252 PolarHBondContact OG1-N 3.47Å
251G86.3Confident88.7Confident46 Ų4678.9 Ų78.947%0.47441%0.414SS..  trans68.93.7-174.700000114.5R247 H249 R253R247-G251 WeakPolarHBondContact O-CA 3.44Å; R247-G251 PolarHBondContact O-N 3.12Å; H249-G251 VanDerWaalsContact C-N 3.25Å; H249-G251 PolarHBondContact O-N 3.45Å; G251-R253 PolarHBondContact O-N 2.96Å
252E87.2Confident88.9Confident114 Ų11477.2 Ų77.253%0.53341%0.407SS..  trans-60.1126.9-176.8-79.9-175.5-17600112.6R247 T250 P254R247-E252 HydrophobicContact CB-CB 4.41Å; R247-E252 HydrophobicContact CG-CB 4.15Å; R247-E252 PolarHBondContact O-N 3.46Å; T250-E252 PolarHBondContact O-N 3.32Å; T250-E252 VanDerWaalsContact O-N 3.13Å; T250-E252 WeakPolarHBondContact OG1-CG 3.29Å; T250-E252 PolarHBondContact OG1-N 3.47Å; E252-P254 WeakPolarHBondContact O-CD 3.42Å
253R89Confident88.7Confident141 Ų14179.2 Ų79.253%0.53243%0.433SS..  trans-124.976.1178-73.5173.2142.6-164.6-2.7111.3G251 F255 S265 F266 T267G251-R253 PolarHBondContact O-N 2.96Å; R253-F255 PolarHBondContact O-N 3.47Å; R253-F255 VanDerWaalsContact O-N 3.1Å; R253-S265 VanDerWaalsContact CB-OG 3.3Å; R253-S265 WeakPolarHBondContact CB-OG 3.29Å; R253-S265 WeakPolarHBondContact CD-O 3.49Å; R253-S265 WeakPolarHBondContact CD-OG 3.33Å; R253-S265 VanDerWaalsContact CZ-O 3.24Å; R253-S265 PolarHBondContact NE-O 3.04Å; R253-S265 PolarHBondContact NH1-O 3.27Å; R253-F266 CarbonylContact C-O 3.46Å; R253-F266 VanDerWaalsContact C-O 3.3Å; R253-F266 WeakPolarHBondContact CA-O 3.35Å; R253-T267 HydrophobicContact CG-CG2 3.94Å
254P89Confident88.8Confident70 Ų7080 Ų8046%0.45543%0.432SS..  trans-64.3-20.4-173.3-2334.3000114.2E252 R256E252-P254 WeakPolarHBondContact O-CD 3.42Å; P254-R256 PolarHBondContact O-N 3.31Å
255F91.6Very high88.9Confident50 Ų5076.8 Ų76.822%0.21942%0.421CS..EExtended strand (participates in β ladder)trans-100.586.3-171.2-56.6-78.9000111.1R253 F266 T267 T268 S269 R272R253-F255 PolarHBondContact O-N 3.47Å; R253-F255 VanDerWaalsContact O-N 3.1Å; F255-F266 HydrophobicContact CB-CB 4.37Å; F255-F266 WeakPolarHBondContact CB-O 3.47Å; F255-F266 WeakPolarHBondContact CD2-O 3.28Å; F255-F266 PolarHBondContact N-O 2.94Å; F255-F266 WeakPolarHBondContact O-CD2 3.44Å; F255-F266 PolarHBondContact O-N 3.1Å; F255-T267 WeakPolarHBondContact CE2-O 3.44Å; F255-T268 VanDerWaalsContact CD2-CA 3.41Å; F255-S269 VanDerWaalsContact CD2-N 3.33Å; F255-R272 HydrophobicContact CB-CB 4.03Å
256R91.9Very high89Confident193 Ų19377.3 Ų77.373%0.72842%0.423SS*.EExtended strand (participates in β ladder)trans-72.6143.1174-66.7-173.5-177.9176.90.9112.6P254 R272P254-R256 PolarHBondContact O-N 3.31Å; R256-R272 WeakPolarHBondContact O-CD 3.49Å
257C93.6Very high88.9Confident16 Ų1677.4 Ų77.411%0.10842%0.424CS..  trans-63.1131.9171.6-171.10000109.5F259 C262 R264 F266 H275C257-F259 VanDerWaalsContact C-N 3.25Å; C257-F259 PolarHBondContact O-N 2.85Å; C257-C262 HydrophobicContact CB-CB 4.29Å; C257-R264 VanDerWaalsContact CB-O 3.27Å; C257-R264 WeakPolarHBondContact CB-O 3.37Å; C257-R264 PolarHBondContact N-O 2.77Å; C257-F266 HydrophobicContact CB-CE2 4.5Å; C257-H275 VanDerWaalsContact SG-CD2 3.6Å
258P91.4Very high88.9Confident88 Ų8876.3 Ų76.357%0.57142%0.423SS*.SBendtrans-78.3-4.9-18033-37.2000113.9V276P258-V276 HydrophobicContact CG-CG2 3.93Å
259F90.4Very high89Confident77 Ų7775.2 Ų75.234%0.33842%0.419SS..SBendtrans-84.5122.4178.4-74.1-85.8000110.7C257 C262 V276 H279 T280C257-F259 VanDerWaalsContact C-N 3.25Å; C257-F259 PolarHBondContact O-N 2.85Å; F259-C262 HydrophobicContact CB-CB 4.34Å; F259-C262 WeakPolarHBondContact O-CB 3.4Å; F259-C262 PolarHBondContact O-N 3.39Å; F259-V276 HydrophobicContact CE2-CB 4.42Å; F259-V276 HydrophobicContact CE2-CG1 3.9Å; F259-V276 HydrophobicContact CE2-CG2 4.45Å; F259-H279 HydrophobicContact CD1-CB 3.99Å; F259-H279 HydrophobicContact CD2-CB 3.53Å; F259-H279 AromaticContact CD2-CD2 3.43Å; F259-H279 VanDerWaalsContact CD2-CD2 3.43Å; F259-H279 WeakPolarHBondContact CD2-CD2 3.48Å; F259-H279 AromaticContact CD2-CG 3.56Å; F259-H279 HydrophobicContact CE1-CB 3.88Å; F259-H279 HydrophobicContact CE2-CB 3.38Å; F259-H279 AromaticContact CE2-CG 3.94Å; F259-H279 HydrophobicContact CG-CB 3.83Å; F259-H279 AromaticContact CG-CD2 3.93Å; F259-H279 AromaticContact CG-CG 3.76Å; F259-H279 HydrophobicContact CZ-CB 3.59Å; F259-T280 HydrophobicContact CE2-CG2 4.27Å; F259-T280 HydrophobicContact CZ-CG2 3.69Å
260E88.6Confident89.2Confident187 Ų18778.1 Ų78.187%0.87444%0.436SS*.THydrogen-bonded Turntrans-58137174.6-62.9-57149.600111C262E260-C262 VanDerWaalsContact C-N 3.28Å; E260-C262 PolarHBondContact O-N 3.2Å
261G86.4Confident89.4Confident86 Ų8678.3 Ų78.389%0.88743%0.433SS*.THydrogen-bonded Turntrans81.1-7.1-176.700000115.7
262C92.1Very high89.7Confident25 Ų2579.7 Ų79.717%0.16942%0.424CS..THydrogen-bonded Turntrans-81.5-37.7175.1-175.40000112.9C257 F259 E260 R264 H275 H279C257-C262 HydrophobicContact CB-CB 4.29Å; F259-C262 HydrophobicContact CB-CB 4.34Å; F259-C262 WeakPolarHBondContact O-CB 3.4Å; F259-C262 PolarHBondContact O-N 3.39Å; E260-C262 VanDerWaalsContact C-N 3.28Å; E260-C262 PolarHBondContact O-N 3.2Å; C262-R264 PolarHBondContact O-N 2.78Å; C262-H275 PolarHBondContact SG-NE2 3.06Å; C262-H279 VanDerWaalsContact SG-CE1 3.58Å; C262-H279 PolarHBondContact SG-NE2 3.38Å
263G87.4Confident89.9Confident65 Ų6579.9 Ų79.967%0.6742%0.423SS*.  trans64.2-16.6-179.900000116.7
264R88.8Confident90Very high126 Ų12674.7 Ų74.748%0.47541%0.407SS..  trans-67.4136.3-170.3-73.7-177.8170.5-173.8-2.3113.2C257 C262 F266C257-R264 VanDerWaalsContact CB-O 3.27Å; C257-R264 WeakPolarHBondContact CB-O 3.37Å; C257-R264 PolarHBondContact N-O 2.77Å; C262-R264 PolarHBondContact O-N 2.78Å; R264-F266 HydrophobicContact CB-CE2 4.07Å; R264-F266 HydrophobicContact CB-CZ 3.94Å
265S90.8Very high90.2Very high27 Ų2772.4 Ų72.419%0.18939%0.39CS..EExtended strand (participates in β ladder)trans-122.6148178.661.30000111.1R253R253-S265 VanDerWaalsContact CB-OG 3.3Å; R253-S265 WeakPolarHBondContact CB-OG 3.29Å; R253-S265 WeakPolarHBondContact CD-O 3.49Å; R253-S265 WeakPolarHBondContact CD-OG 3.33Å; R253-S265 VanDerWaalsContact CZ-O 3.24Å; R253-S265 PolarHBondContact NE-O 3.04Å; R253-S265 PolarHBondContact NH1-O 3.27Å
266F89.8Confident90.2Very high26 Ų2671.7 Ų71.711%0.11439%0.39CS..EExtended strand (participates in β ladder)trans-129.6151.2-174.2-56.1-83000111.7R253 F255 C257 R264 T268 I271 R272 H275R253-F266 CarbonylContact C-O 3.46Å; R253-F266 VanDerWaalsContact C-O 3.3Å; R253-F266 WeakPolarHBondContact CA-O 3.35Å; F255-F266 HydrophobicContact CB-CB 4.37Å; F255-F266 WeakPolarHBondContact CB-O 3.47Å; F255-F266 WeakPolarHBondContact CD2-O 3.28Å; F255-F266 PolarHBondContact N-O 2.94Å; F255-F266 WeakPolarHBondContact O-CD2 3.44Å; F255-F266 PolarHBondContact O-N 3.1Å; C257-F266 HydrophobicContact CB-CE2 4.5Å; R264-F266 HydrophobicContact CB-CE2 4.07Å; R264-F266 HydrophobicContact CB-CZ 3.94Å; F266-T268 VanDerWaalsContact C-N 3.31Å; F266-T268 PolarHBondContact O-N 2.87Å; F266-I271 HydrophobicContact CB-CB 4.42Å; F266-I271 HydrophobicContact CB-CG2 4.37Å; F266-I271 HydrophobicContact CD1-CB 4.35Å; F266-I271 HydrophobicContact CD1-CG2 3.44Å; F266-I271 VanDerWaalsContact CD1-CG2 3.44Å; F266-I271 HydrophobicContact CE1-CG2 4.04Å; F266-I271 HydrophobicContact CG-CG2 4.1Å; F266-R272 HydrophobicContact CB-CB 4.21Å; F266-R272 HydrophobicContact CD2-CB 3.63Å; F266-R272 HydrophobicContact CD2-CG 3.88Å; F266-R272 HydrophobicContact CE2-CB 4.4Å; F266-R272 HydrophobicContact CE2-CG 4.35Å; F266-R272 HydrophobicContact CG-CB 4.15Å; F266-H275 HydrophobicContact CE1-CB 4.05Å; F266-H275 HydrophobicContact CE2-CB 3.84Å; F266-H275 AromaticContact CE2-CD2 3.35Å; F266-H275 WeakPolarHBondContact CE2-CD2 3.33Å; F266-H275 AromaticContact CE2-CG 3.66Å; F266-H275 HydrophobicContact CZ-CB 3.44Å; F266-H275 VanDerWaalsContact CZ-CB 3.44Å; F266-H275 AromaticContact CZ-CD2 3.33Å; F266-H275 WeakPolarHBondContact CZ-CD2 3.35Å; F266-H275 AromaticContact CZ-CG 3.2Å; F266-H275 AromaticContact CZ-ND1 3.8Å; F266-H275 AromaticContact CZ-NE2 3.96Å
267T87.3Confident90.2Very high35 Ų3565.2 Ų65.222%0.21537%0.365CS..SBendtrans-74.1-22178.656.60000113R247 R253 F255R247-T267 PolarHBondContact NH1-O 3.43Å; R253-T267 HydrophobicContact CG-CG2 3.94Å; F255-T267 WeakPolarHBondContact CE2-O 3.44Å
268T87.9Confident90Very high32 Ų3268.4 Ų68.420%0.19639%0.385CS..SBendtrans-136.6147.6178.368.10000112.8K244 F255 F266 N270 I271 R272K244-T268 HydrophobicContact CD-CG2 4.38Å; K244-T268 HydrophobicContact CG-CG2 4.33Å; F255-T268 VanDerWaalsContact CD2-CA 3.41Å; F266-T268 VanDerWaalsContact C-N 3.31Å; F266-T268 PolarHBondContact O-N 2.87Å; T268-N270 VanDerWaalsContact C-N 3.28Å; T268-N270 PolarHBondContact O-N 3.22Å; T268-I271 PolarHBondContact O-N 3.5Å; T268-I271 VanDerWaalsContact OG1-CD1 3.25Å; T268-I271 WeakPolarHBondContact OG1-CD1 3.15Å; T268-I271 WeakPolarHBondContact OG1-CG1 3.43Å; T268-R272 PolarHBondContact O-N 2.98Å
269S89.8Confident90Very high48 Ų4867.9 Ų67.934%0.33637%0.374SS..Hα-helixtrans-63.3-32.2179.964.40000113.2F255 R272 K273F255-S269 VanDerWaalsContact CD2-N 3.33Å; S269-R272 PolarHBondContact O-N 3.44Å; S269-K273 WeakPolarHBondContact O-CG 3.42Å; S269-K273 PolarHBondContact O-N 2.87Å
270N88.5Confident90Very high108 Ų10867.3 Ų67.358%0.57838%0.377SS*.Hα-helixtrans-68.3-42-180-16957.2000111.8T268 R272 K273 V274T268-N270 VanDerWaalsContact C-N 3.28Å; T268-N270 PolarHBondContact O-N 3.22Å; N270-R272 VanDerWaalsContact C-N 3.34Å; N270-K273 PolarHBondContact O-N 3.26Å; N270-V274 WeakPolarHBondContact O-CG2 3.47Å; N270-V274 PolarHBondContact O-N 3.37Å
271I88.9Confident90Very high84 Ų8460.8 Ų60.843%0.43136%0.36SS..Hα-helixtrans-63.6-44.2175.6-62.2170.5000109.6F266 T268 K273 V274 H275F266-I271 HydrophobicContact CB-CB 4.42Å; F266-I271 HydrophobicContact CB-CG2 4.37Å; F266-I271 HydrophobicContact CD1-CB 4.35Å; F266-I271 HydrophobicContact CD1-CG2 3.44Å; F266-I271 VanDerWaalsContact CD1-CG2 3.44Å; F266-I271 HydrophobicContact CE1-CG2 4.04Å; F266-I271 HydrophobicContact CG-CG2 4.1Å; T268-I271 PolarHBondContact O-N 3.5Å; T268-I271 VanDerWaalsContact OG1-CD1 3.25Å; T268-I271 WeakPolarHBondContact OG1-CD1 3.15Å; T268-I271 WeakPolarHBondContact OG1-CG1 3.43Å; I271-K273 VanDerWaalsContact C-N 3.35Å; I271-K273 PolarHBondContact O-N 3.37Å; I271-V274 PolarHBondContact O-N 3.17Å; I271-H275 WeakPolarHBondContact O-CB 3.36Å; I271-H275 PolarHBondContact O-N 2.98Å
272R93.3Very high90.3Very high75 Ų7562 Ų6228%0.28334%0.343SS..Hα-helixtrans-55.6-47.7172.6-176.5-166.762.7-168.66.7111.8F255 R256 F266 T268 S269 N270 V274 H275 V276F255-R272 HydrophobicContact CB-CB 4.03Å; R256-R272 WeakPolarHBondContact O-CD 3.49Å; F266-R272 HydrophobicContact CB-CB 4.21Å; F266-R272 HydrophobicContact CD2-CB 3.63Å; F266-R272 HydrophobicContact CD2-CG 3.88Å; F266-R272 HydrophobicContact CE2-CB 4.4Å; F266-R272 HydrophobicContact CE2-CG 4.35Å; F266-R272 HydrophobicContact CG-CB 4.15Å; T268-R272 PolarHBondContact O-N 2.98Å; S269-R272 PolarHBondContact O-N 3.44Å; N270-R272 VanDerWaalsContact C-N 3.34Å; R272-V274 VanDerWaalsContact C-N 3.33Å; R272-V274 PolarHBondContact O-N 3.18Å; R272-H275 WeakPolarHBondContact O-CB 2.98Å; R272-H275 PolarHBondContact O-N 3.14Å; R272-H275 VanDerWaalsContact O-N 3.16Å; R272-V276 HydrophobicContact CG-CG2 4.34Å; R272-V276 WeakPolarHBondContact O-CG2 3.48Å; R272-V276 PolarHBondContact O-N 3.36Å
273K91.6Very high90.2Very high119 Ų11967.8 Ų67.852%0.51736%0.361SS..Hα-helixtrans-59.5-42.3179.1-77.7-179.3-177.3-176.60112.3S269 N270 I271 H275 V276 R277S269-K273 WeakPolarHBondContact O-CG 3.42Å; S269-K273 PolarHBondContact O-N 2.87Å; N270-K273 PolarHBondContact O-N 3.26Å; I271-K273 VanDerWaalsContact C-N 3.35Å; I271-K273 PolarHBondContact O-N 3.37Å; K273-H275 VanDerWaalsContact C-N 3.34Å; K273-V276 PolarHBondContact O-N 3.04Å; K273-R277 PolarHBondContact O-N 3.3Å
274V91.8Very high90.4Very high32 Ų3268 Ų6819%0.19435%0.351CS..Hα-helixtrans-66.4-38.4176.11730000111.2N270 I271 R272 R277N270-V274 WeakPolarHBondContact O-CG2 3.47Å; N270-V274 PolarHBondContact O-N 3.37Å; I271-V274 PolarHBondContact O-N 3.17Å; R272-V274 VanDerWaalsContact C-N 3.33Å; R272-V274 PolarHBondContact O-N 3.18Å; V274-R277 WeakPolarHBondContact O-CB 3.46Å; V274-R277 PolarHBondContact O-N 2.82Å
275H91.5Very high90.6Very high21 Ų2166 Ų6610%0.09734%0.344CS..Hα-helixtrans-65.9-42.1174.6170.769.3000112.6C257 C262 F266 I271 R272 K273 R277 T278 H279C257-H275 VanDerWaalsContact SG-CD2 3.6Å; C262-H275 PolarHBondContact SG-NE2 3.06Å; F266-H275 HydrophobicContact CE1-CB 4.05Å; F266-H275 HydrophobicContact CE2-CB 3.84Å; F266-H275 AromaticContact CE2-CD2 3.35Å; F266-H275 WeakPolarHBondContact CE2-CD2 3.33Å; F266-H275 AromaticContact CE2-CG 3.66Å; F266-H275 HydrophobicContact CZ-CB 3.44Å; F266-H275 VanDerWaalsContact CZ-CB 3.44Å; F266-H275 AromaticContact CZ-CD2 3.33Å; F266-H275 WeakPolarHBondContact CZ-CD2 3.35Å; F266-H275 AromaticContact CZ-CG 3.2Å; F266-H275 AromaticContact CZ-ND1 3.8Å; F266-H275 AromaticContact CZ-NE2 3.96Å; I271-H275 WeakPolarHBondContact O-CB 3.36Å; I271-H275 PolarHBondContact O-N 2.98Å; R272-H275 WeakPolarHBondContact O-CB 2.98Å; R272-H275 PolarHBondContact O-N 3.14Å; R272-H275 VanDerWaalsContact O-N 3.16Å; K273-H275 VanDerWaalsContact C-N 3.34Å; H275-R277 PolarHBondContact O-N 2.94Å; H275-R277 VanDerWaalsContact O-N 3.09Å; H275-T278 WeakPolarHBondContact O-CB 3.42Å; H275-T278 PolarHBondContact O-N 3.27Å; H275-T278 PolarHBondContact O-OG1 3.3Å; H275-H279 AromaticContact CD2-NE2 3.97Å; H275-H279 AromaticContact CE1-NE2 3.48Å; H275-H279 PolarHBondContact CE1-NE2 2.95Å; H275-H279 AromaticContact NE2-CD2 3.7Å; H275-H279 AromaticContact NE2-NE2 3.06Å; H275-H279 PolarHBondContact NE2-NE2 3.09Å
276V92Very high90.7Very high35 Ų3569 Ų6921%0.21236%0.361CS..Hα-helixtrans-52.6-34.9175.9159.40000111.7P258 F259 R272 K273 T278 H279 T280P258-V276 HydrophobicContact CG-CG2 3.93Å; F259-V276 HydrophobicContact CE2-CB 4.42Å; F259-V276 HydrophobicContact CE2-CG1 3.9Å; F259-V276 HydrophobicContact CE2-CG2 4.45Å; R272-V276 HydrophobicContact CG-CG2 4.34Å; R272-V276 WeakPolarHBondContact O-CG2 3.48Å; R272-V276 PolarHBondContact O-N 3.36Å; K273-V276 PolarHBondContact O-N 3.04Å; V276-T278 PolarHBondContact O-N 3.26Å; V276-H279 WeakPolarHBondContact O-CB 3.21Å; V276-H279 PolarHBondContact O-N 2.99Å; V276-T280 PolarHBondContact O-N 3.14Å
277R93.1Very high90.9Very high57 Ų5768.2 Ų68.222%0.21536%0.359CS..Hα-helixtrans-63.8-19.3175.3-64.1175.6-176.81521.6114.3K273 V274 H275 H279 T280 G281 E282 T297K273-R277 PolarHBondContact O-N 3.3Å; V274-R277 WeakPolarHBondContact O-CB 3.46Å; V274-R277 PolarHBondContact O-N 2.82Å; H275-R277 PolarHBondContact O-N 2.94Å; H275-R277 VanDerWaalsContact O-N 3.09Å; R277-H279 VanDerWaalsContact C-N 3.31Å; R277-T280 WeakPolarHBondContact CA-OG1 3.25Å; R277-G281 CarbonylContact O-C 3.34Å; R277-G281 WeakPolarHBondContact O-CA 3.34Å; R277-G281 PolarHBondContact O-N 3.42Å; R277-E282 HydrophobicContact CB-CB 4.32Å; R277-E282 HydrophobicContact CG-CB 4.18Å; R277-E282 PolarHBondContact O-N 3.29Å; R277-T297 HydrophobicContact CB-CG2 3.91Å; R277-T297 WeakPolarHBondContact CD-O 3.49Å; R277-T297 PolarHBondContact NH1-O 3.2Å
278T89.6Confident91Very high84 Ų8471.1 Ų71.152%0.51538%0.378SS..Hα-helixtrans-74.7-25.5174.170.60000112.2H275 V276H275-T278 WeakPolarHBondContact O-CB 3.42Å; H275-T278 PolarHBondContact O-N 3.27Å; H275-T278 PolarHBondContact O-OG1 3.3Å; V276-T278 PolarHBondContact O-N 3.26Å
279H89.9Confident91Very high76 Ų7673.4 Ų73.435%0.35239%0.387SS..Hα-helixtrans-82.5-43.2174.3-65.6-67.9000111.5F259 C262 H275 V276 R277 G281F259-H279 HydrophobicContact CD1-CB 3.99Å; F259-H279 HydrophobicContact CD2-CB 3.53Å; F259-H279 AromaticContact CD2-CD2 3.43Å; F259-H279 VanDerWaalsContact CD2-CD2 3.43Å; F259-H279 WeakPolarHBondContact CD2-CD2 3.48Å; F259-H279 AromaticContact CD2-CG 3.56Å; F259-H279 HydrophobicContact CE1-CB 3.88Å; F259-H279 HydrophobicContact CE2-CB 3.38Å; F259-H279 AromaticContact CE2-CG 3.94Å; F259-H279 HydrophobicContact CG-CB 3.83Å; F259-H279 AromaticContact CG-CD2 3.93Å; F259-H279 AromaticContact CG-CG 3.76Å; F259-H279 HydrophobicContact CZ-CB 3.59Å; C262-H279 VanDerWaalsContact SG-CE1 3.58Å; C262-H279 PolarHBondContact SG-NE2 3.38Å; H275-H279 AromaticContact CD2-NE2 3.97Å; H275-H279 AromaticContact CE1-NE2 3.48Å; H275-H279 PolarHBondContact CE1-NE2 2.95Å; H275-H279 AromaticContact NE2-CD2 3.7Å; H275-H279 AromaticContact NE2-NE2 3.06Å; H275-H279 PolarHBondContact NE2-NE2 3.09Å; V276-H279 WeakPolarHBondContact O-CB 3.21Å; V276-H279 PolarHBondContact O-N 2.99Å; R277-H279 VanDerWaalsContact C-N 3.31Å; H279-G281 VanDerWaalsContact C-N 3.28Å; H279-G281 PolarHBondContact O-N 3.24Å
280T90.1Very high90.7Very high66 Ų6675.7 Ų75.741%0.40540%0.4SS..Hα-helixtrans-76.3-17.1179.162.50000113.4F259 V276 R277 E282F259-T280 HydrophobicContact CE2-CG2 4.27Å; F259-T280 HydrophobicContact CZ-CG2 3.69Å; V276-T280 PolarHBondContact O-N 3.14Å; R277-T280 WeakPolarHBondContact CA-OG1 3.25Å; T280-E282 PolarHBondContact O-N 3.38Å; T280-E282 WeakPolarHBondContact OG1-CB 3.27Å; T280-E282 WeakPolarHBondContact OG1-CG 3.45Å; T280-E282 PolarHBondContact OG1-N 2.92Å
281G89.6Confident90.5Very high50 Ų5080.1 Ų80.152%0.51542%0.417SS..  trans73.93.2-173.200000114.1R277 H279 R283R277-G281 CarbonylContact O-C 3.34Å; R277-G281 WeakPolarHBondContact O-CA 3.34Å; R277-G281 PolarHBondContact O-N 3.42Å; H279-G281 VanDerWaalsContact C-N 3.28Å; H279-G281 PolarHBondContact O-N 3.24Å; G281-R283 PolarHBondContact O-N 3.4Å
282E91.7Very high90.7Very high112 Ų11277.9 Ų77.952%0.52341%0.408SS..  trans-60.5125.5180-76.9180-174.100111.7R277 T280 P284R277-E282 HydrophobicContact CB-CB 4.32Å; R277-E282 HydrophobicContact CG-CB 4.18Å; R277-E282 PolarHBondContact O-N 3.29Å; T280-E282 PolarHBondContact O-N 3.38Å; T280-E282 WeakPolarHBondContact OG1-CB 3.27Å; T280-E282 WeakPolarHBondContact OG1-CG 3.45Å; T280-E282 PolarHBondContact OG1-N 2.92Å; E282-P284 WeakPolarHBondContact O-CD 3.47Å
283R91.4Very high90.3Very high145 Ų14577.6 Ų77.655%0.54743%0.429SS..  trans-125.379.2176.2-72.3174.3171.6-145.812.5110.1G281 Y285 G295 F296 T297G281-R283 PolarHBondContact O-N 3.4Å; R283-Y285 PolarHBondContact O-N 3.1Å; R283-Y285 VanDerWaalsContact O-N 3.1Å; R283-G295 WeakPolarHBondContact CD-O 3.38Å; R283-G295 PolarHBondContact NH1-O 3.1Å; R283-F296 CarbonylContact C-O 3.52Å; R283-F296 WeakPolarHBondContact CA-O 3.37Å; R283-T297 HydrophobicContact CG-CG2 4.4Å
284P91.7Very high90.2Very high71 Ų7178.7 Ų78.746%0.46143%0.43SS..  trans-63.8-17.9-175.5-22.434000114.2E282E282-P284 WeakPolarHBondContact O-CD 3.47Å
285Y93.3Very high90.2Very high83 Ų8377.5 Ų77.533%0.32542%0.424SS..EExtended strand (participates in β ladder)trans-112.9100.1-175.8-51.8-77.5000109.9R283 G295 F296 A299R283-Y285 PolarHBondContact O-N 3.1Å; R283-Y285 VanDerWaalsContact O-N 3.1Å; Y285-G295 CarbonylContact O-C 3.37Å; Y285-G295 WeakPolarHBondContact O-CA 3.37Å; Y285-F296 PolarHBondContact N-O 3.42Å; Y285-F296 PolarHBondContact O-N 3.32Å; Y285-A299 HydrophobicContact CD1-CB 4.23Å; Y285-A299 HydrophobicContact CE1-CB 3.75Å; Y285-A299 HydrophobicContact CE2-CB 4.07Å; Y285-A299 VanDerWaalsContact CE2-N 3.33Å
286T92.8Very high90.2Very high90 Ų9077.7 Ų77.755%0.55243%0.425SS*.EExtended strand (participates in β ladder)trans-102.4134.8179.349.50000111.2P288 Y302T286-P288 WeakPolarHBondContact O-CD 3.33Å; T286-Y302 WeakPolarHBondContact O-CE2 3.4Å
287C93.4Very high90.1Very high9 Ų977.4 Ų77.46%0.06142%0.423CS..  trans-63.4123.2172.6-169.90000110.4E289 C292 R294 H309C287-E289 VanDerWaalsContact C-N 3.26Å; C287-E289 PolarHBondContact O-N 3.31Å; C287-C292 HydrophobicContact CB-CB 4.28Å; C287-R294 WeakPolarHBondContact CB-O 3.42Å; C287-R294 PolarHBondContact N-O 2.61Å; C287-H309 VanDerWaalsContact SG-CD2 3.53Å; C287-H309 PolarHBondContact SG-NE2 3.48Å
288P88.7Confident90Very high96 Ų9675.8 Ų75.862%0.62342%0.42SS*.  trans-77.9-12.7179.332.4-35.5000112.8T286T286-P288 WeakPolarHBondContact O-CD 3.33Å
289E88.7Confident90Very high81 Ų8173.3 Ų73.338%0.37941%0.409SS..SBendtrans-62.5130.2-176.5-70.4-62.4144.500111.7C287 H291 C292 H309C287-E289 VanDerWaalsContact C-N 3.26Å; C287-E289 PolarHBondContact O-N 3.31Å; E289-H291 PolarHBondContact O-N 3.04Å; E289-C292 HydrophobicContact CB-CB 4.11Å; E289-C292 PolarHBondContact O-N 3.05Å; E289-C292 VanDerWaalsContact O-N 3.14Å; E289-H309 HydrophobicContact CG-CB 3.88Å
290P83.6Confident89.9Confident95 Ų9573.9 Ų73.962%0.61742%0.418SS*.THydrogen-bonded Turntrans-59.9139.4177.426-32000109.2C292P290-C292 PolarHBondContact O-N 3.42Å
291H84.8Confident89.9Confident201 Ų20174.8 Ų74.893%0.93142%0.42SS*.THydrogen-bonded Turntrans71.3-1.5-176.4-41-69.3000116.7E289E289-H291 PolarHBondContact O-N 3.04Å
292C91.4Very high90Very high37 Ų3775.2 Ų75.225%0.2541%0.406CS..THydrogen-bonded Turntrans-88.3-53.5173.1-171.80000112.8C287 E289 P290 R294 H305 H309C287-C292 HydrophobicContact CB-CB 4.28Å; E289-C292 HydrophobicContact CB-CB 4.11Å; E289-C292 PolarHBondContact O-N 3.05Å; E289-C292 VanDerWaalsContact O-N 3.14Å; P290-C292 PolarHBondContact O-N 3.42Å; C292-R294 PolarHBondContact O-N 3.02Å; C292-H305 VanDerWaalsContact SG-CE1 3.51Å; C292-H305 PolarHBondContact SG-NE2 3.38Å; C292-H309 PolarHBondContact SG-NE2 2.88Å; C292-H309 VanDerWaalsContact SG-NE2 3.37Å
293G85.9Confident89.9Confident69 Ų6976.6 Ų76.671%0.71141%0.411SS*.  trans57.410.1178.300000115.8G295G293-G295 PolarHBondContact O-N 3.17Å
294R89.4Confident89.8Confident142 Ų14271.2 Ų71.254%0.53639%0.393SS..  trans-82.7121.1-168.9-162.4166.9177.7171.80.6111.1C287 C292 F296C287-R294 WeakPolarHBondContact CB-O 3.42Å; C287-R294 PolarHBondContact N-O 2.61Å; C292-R294 PolarHBondContact O-N 3.02Å; R294-F296 HydrophobicContact CB-CE2 4.02Å; R294-F296 HydrophobicContact CB-CZ 4.19Å; R294-F296 HydrophobicContact CG-CE1 4.42Å; R294-F296 HydrophobicContact CG-CE2 3.89Å; R294-F296 HydrophobicContact CG-CZ 3.66Å; R294-F296 WeakPolarHBondContact O-CE2 3.36Å
295G91.3Very high89.8Confident8 Ų868.5 Ų68.58%0.08237%0.374CS..EExtended strand (participates in β ladder)trans-93.9150.4172.700000113.4R283 Y285 G293R283-G295 WeakPolarHBondContact CD-O 3.38Å; R283-G295 PolarHBondContact NH1-O 3.1Å; Y285-G295 CarbonylContact O-C 3.37Å; Y285-G295 WeakPolarHBondContact O-CA 3.37Å; G293-G295 PolarHBondContact O-N 3.17Å
296F91.1Very high89.6Confident25 Ų2566.2 Ų66.211%0.1137%0.369CS..EExtended strand (participates in β ladder)trans-130.7147.2-178.8-60.6-92.7000111.5R283 Y285 R294 N301 Y302 H305R283-F296 CarbonylContact C-O 3.52Å; R283-F296 WeakPolarHBondContact CA-O 3.37Å; Y285-F296 PolarHBondContact N-O 3.42Å; Y285-F296 PolarHBondContact O-N 3.32Å; R294-F296 HydrophobicContact CB-CE2 4.02Å; R294-F296 HydrophobicContact CB-CZ 4.19Å; R294-F296 HydrophobicContact CG-CE1 4.42Å; R294-F296 HydrophobicContact CG-CE2 3.89Å; R294-F296 HydrophobicContact CG-CZ 3.66Å; R294-F296 WeakPolarHBondContact O-CE2 3.36Å; F296-N301 HydrophobicContact CD1-CB 3.99Å; F296-Y302 HydrophobicContact CD2-CD2 4.03Å; F296-H305 HydrophobicContact CE1-CB 3.83Å; F296-H305 HydrophobicContact CE2-CB 3.85Å; F296-H305 AromaticContact CE2-CD2 3.3Å; F296-H305 WeakPolarHBondContact CE2-CD2 3.39Å; F296-H305 AromaticContact CE2-CG 3.58Å; F296-H305 AromaticContact CE2-NE2 3.97Å; F296-H305 HydrophobicContact CZ-CB 3.32Å; F296-H305 AromaticContact CZ-CD2 3.37Å; F296-H305 WeakPolarHBondContact CZ-CD2 3.24Å; F296-H305 AromaticContact CZ-CG 3.13Å; F296-H305 AromaticContact CZ-ND1 3.67Å; F296-H305 AromaticContact CZ-NE2 3.96Å
297T91.2Very high89.5Confident28 Ų2864.5 Ų64.517%0.17235%0.352CS..SBendtrans-83.2-15.4176.957.20000113R277 R283R277-T297 HydrophobicContact CB-CG2 3.91Å; R277-T297 WeakPolarHBondContact CD-O 3.49Å; R277-T297 PolarHBondContact NH1-O 3.2Å; R283-T297 HydrophobicContact CG-CG2 4.4Å
298S90.4Very high89.2Confident23 Ų2369.2 Ų69.216%0.16138%0.376CS..SBendtrans-133.5138.3-177177.30000111.6T300 N301 Y302S298-T300 VanDerWaalsContact C-N 3.3Å; S298-T300 PolarHBondContact O-N 3.44Å; S298-T300 PolarHBondContact OG-N 3.06Å; S298-N301 PolarHBondContact O-N 3.26Å; S298-Y302 PolarHBondContact O-N 3.43Å; S298-Y302 VanDerWaalsContact O-N 3.11Å
299A89.7Confident89.2Confident33 Ų3368.3 Ų68.327%0.27336%0.363SS..Hα-helixtrans-62-36178.100000112.6Y285 Y302 K303Y285-A299 HydrophobicContact CD1-CB 4.23Å; Y285-A299 HydrophobicContact CE1-CB 3.75Å; Y285-A299 HydrophobicContact CE2-CB 4.07Å; Y285-A299 VanDerWaalsContact CE2-N 3.33Å; A299-Y302 WeakPolarHBondContact O-CB 3.34Å; A299-Y302 PolarHBondContact O-N 3.37Å; A299-K303 WeakPolarHBondContact O-CG 3.43Å; A299-K303 PolarHBondContact O-N 3.4Å
300T87.7Confident89.1Confident87 Ų8768 Ų6853%0.53437%0.366SS..Hα-helixtrans-64.6-44.5179.7-51.20000110.9S298 Y302 K303 N304S298-T300 VanDerWaalsContact C-N 3.3Å; S298-T300 PolarHBondContact O-N 3.44Å; S298-T300 PolarHBondContact OG-N 3.06Å; T300-Y302 VanDerWaalsContact C-N 3.32Å; T300-Y302 PolarHBondContact O-N 3.34Å; T300-K303 PolarHBondContact O-N 3.27Å; T300-N304 PolarHBondContact O-N 3.48Å
301N89.3Confident89.2Confident86 Ų8665.6 Ų65.646%0.4636%0.359SS..Hα-helixtrans-67.1-38.4179-65.17000110.9F296 S298 N304 H305F296-N301 HydrophobicContact CD1-CB 3.99Å; S298-N301 PolarHBondContact O-N 3.26Å; N301-N304 PolarHBondContact O-N 3.23Å; N301-H305 VanDerWaalsContact O-CB 3.32Å; N301-H305 WeakPolarHBondContact O-CB 3.4Å; N301-H305 PolarHBondContact O-N 3.48Å
302Y92.8Very high89.4Confident58 Ų5861.3 Ų61.323%0.22734%0.34CS..Hα-helixtrans-58.9-50.6171.7166.5-103.1000111.9T286 F296 S298 A299 T300 N304 H305 V306T286-Y302 WeakPolarHBondContact O-CE2 3.4Å; F296-Y302 HydrophobicContact CD2-CD2 4.03Å; S298-Y302 PolarHBondContact O-N 3.43Å; S298-Y302 VanDerWaalsContact O-N 3.11Å; A299-Y302 WeakPolarHBondContact O-CB 3.34Å; A299-Y302 PolarHBondContact O-N 3.37Å; T300-Y302 VanDerWaalsContact C-N 3.32Å; T300-Y302 PolarHBondContact O-N 3.34Å; Y302-N304 PolarHBondContact O-N 2.83Å; Y302-H305 WeakPolarHBondContact O-CB 3.37Å; Y302-H305 PolarHBondContact O-N 2.82Å; Y302-H305 VanDerWaalsContact O-N 3.11Å; Y302-V306 HydrophobicContact CD2-CG2 4.2Å; Y302-V306 HydrophobicContact CE1-CG2 4.16Å; Y302-V306 HydrophobicContact CE2-CG2 3.72Å; Y302-V306 WeakPolarHBondContact O-CG2 3.42Å; Y302-V306 PolarHBondContact O-N 3.26Å
303K90Very high89.3Confident141 Ų14164.4 Ų64.461%0.61335%0.349SS*.Hα-helixtrans-59.2-44.5178.1-75.1-175.8179.6-1710112.3A299 T300 H305 V306 R307A299-K303 WeakPolarHBondContact O-CG 3.43Å; A299-K303 PolarHBondContact O-N 3.4Å; T300-K303 PolarHBondContact O-N 3.27Å; K303-H305 VanDerWaalsContact C-N 3.29Å; K303-H305 PolarHBondContact O-N 3.1Å; K303-V306 PolarHBondContact O-N 3.24Å; K303-R307 PolarHBondContact O-N 3.25Å
304N88.8Confident89.4Confident32 Ų3264.1 Ų64.117%0.17134%0.335CS..Hα-helixtrans-63.5-37.1176.5-72.50.4000111.9T300 N301 Y302 R307 E328T300-N304 PolarHBondContact O-N 3.48Å; N301-N304 PolarHBondContact O-N 3.23Å; Y302-N304 PolarHBondContact O-N 2.83Å; N304-R307 WeakPolarHBondContact O-CB 3.48Å; N304-R307 PolarHBondContact O-N 2.75Å; N304-E328 HydrophobicContact CB-CG 4.46Å; N304-E328 PolarHBondContact ND2-OE1 3.23Å
305H90.8Very high89.5Confident14 Ų1461 Ų617%0.06532%0.323CS..Hα-helixtrans-67-42.4176.8169.769.8000112.7C292 F296 N301 Y302 K303 R307 I308 H309C292-H305 VanDerWaalsContact SG-CE1 3.51Å; C292-H305 PolarHBondContact SG-NE2 3.38Å; F296-H305 HydrophobicContact CE1-CB 3.83Å; F296-H305 HydrophobicContact CE2-CB 3.85Å; F296-H305 AromaticContact CE2-CD2 3.3Å; F296-H305 WeakPolarHBondContact CE2-CD2 3.39Å; F296-H305 AromaticContact CE2-CG 3.58Å; F296-H305 AromaticContact CE2-NE2 3.97Å; F296-H305 HydrophobicContact CZ-CB 3.32Å; F296-H305 AromaticContact CZ-CD2 3.37Å; F296-H305 WeakPolarHBondContact CZ-CD2 3.24Å; F296-H305 AromaticContact CZ-CG 3.13Å; F296-H305 AromaticContact CZ-ND1 3.67Å; F296-H305 AromaticContact CZ-NE2 3.96Å; N301-H305 VanDerWaalsContact O-CB 3.32Å; N301-H305 WeakPolarHBondContact O-CB 3.4Å; N301-H305 PolarHBondContact O-N 3.48Å; Y302-H305 WeakPolarHBondContact O-CB 3.37Å; Y302-H305 PolarHBondContact O-N 2.82Å; Y302-H305 VanDerWaalsContact O-N 3.11Å; K303-H305 VanDerWaalsContact C-N 3.29Å; K303-H305 PolarHBondContact O-N 3.1Å; H305-R307 PolarHBondContact O-N 2.82Å; H305-I308 WeakPolarHBondContact O-CB 3.29Å; H305-I308 WeakPolarHBondContact O-CG1 3.42Å; H305-I308 PolarHBondContact O-N 3.17Å; H305-H309 AromaticContact CE1-NE2 3.44Å; H305-H309 PolarHBondContact CE1-NE2 3.32Å; H305-H309 AromaticContact NE2-CD2 3.86Å; H305-H309 AromaticContact NE2-NE2 3.13Å; H305-H309 PolarHBondContact NE2-NE2 3.42Å; H305-H309 VanDerWaalsContact NE2-NE2 3.13Å
306V90Very high89.4Confident35 Ų3563.4 Ų63.421%0.21234%0.336CS..Hα-helixtrans-57.4-33178.3171.30000111.5Y302 K303 I308 H309 T310Y302-V306 HydrophobicContact CD2-CG2 4.2Å; Y302-V306 HydrophobicContact CE1-CG2 4.16Å; Y302-V306 HydrophobicContact CE2-CG2 3.72Å; Y302-V306 WeakPolarHBondContact O-CG2 3.42Å; Y302-V306 PolarHBondContact O-N 3.26Å; K303-V306 PolarHBondContact O-N 3.24Å; V306-I308 PolarHBondContact O-N 3.26Å; V306-I308 VanDerWaalsContact O-N 3.13Å; V306-H309 PolarHBondContact O-N 3.23Å; V306-T310 HydrophobicContact CG1-CG2 4.21Å; V306-T310 PolarHBondContact O-N 3.24Å; V306-T310 VanDerWaalsContact O-N 3.13Å
307R90.1Very high89.4Confident55 Ų5562.4 Ų62.421%0.20833%0.333CS..Hα-helixtrans-61.6-19.9174.9-64.6176.5-175.3-176.3-3.6114.5K303 N304 H305 H309 T310 G311 E312 Y315 T327K303-R307 PolarHBondContact O-N 3.25Å; N304-R307 WeakPolarHBondContact O-CB 3.48Å; N304-R307 PolarHBondContact O-N 2.75Å; H305-R307 PolarHBondContact O-N 2.82Å; R307-H309 VanDerWaalsContact C-N 3.32Å; R307-T310 WeakPolarHBondContact CA-OG1 3.46Å; R307-G311 CarbonylContact O-C 3.5Å; R307-G311 WeakPolarHBondContact O-CA 3.31Å; R307-G311 PolarHBondContact O-N 3.09Å; R307-E312 HydrophobicContact CB-CB 4.46Å; R307-E312 HydrophobicContact CG-CB 4.36Å; R307-E312 PolarHBondContact O-N 3.49Å; R307-Y315 VanDerWaalsContact NH1-CE2 3.35Å; R307-T327 HydrophobicContact CB-CG2 4.5Å; R307-T327 PolarHBondContact NH1-O 2.76Å
308I87.5Confident89.3Confident108 Ų10867.1 Ų67.155%0.55436%0.362SS*.Hα-helixtrans-69-37.9174.7-58.4174.1000109.7H305 V306H305-I308 WeakPolarHBondContact O-CB 3.29Å; H305-I308 WeakPolarHBondContact O-CG1 3.42Å; H305-I308 PolarHBondContact O-N 3.17Å; V306-I308 PolarHBondContact O-N 3.26Å; V306-I308 VanDerWaalsContact O-N 3.13Å
309H88.3Confident89.1Confident77 Ų7767.7 Ų67.736%0.35636%0.364SS..Hα-helixtrans-78.9-42.5-179.7-58.4-55.9000111.9C287 E289 C292 H305 V306 R307 G311C287-H309 VanDerWaalsContact SG-CD2 3.53Å; C287-H309 PolarHBondContact SG-NE2 3.48Å; E289-H309 HydrophobicContact CG-CB 3.88Å; C292-H309 PolarHBondContact SG-NE2 2.88Å; C292-H309 VanDerWaalsContact SG-NE2 3.37Å; H305-H309 AromaticContact CE1-NE2 3.44Å; H305-H309 PolarHBondContact CE1-NE2 3.32Å; H305-H309 AromaticContact NE2-CD2 3.86Å; H305-H309 AromaticContact NE2-NE2 3.13Å; H305-H309 PolarHBondContact NE2-NE2 3.42Å; H305-H309 VanDerWaalsContact NE2-NE2 3.13Å; V306-H309 PolarHBondContact O-N 3.23Å; R307-H309 VanDerWaalsContact C-N 3.32Å; H309-G311 PolarHBondContact O-N 3.15Å
310T86.9Confident88.7Confident73 Ų7372.1 Ų72.145%0.44839%0.39SS..Hα-helixtrans-73.2-14.7176.865.10000112.9V306 R307 E312V306-T310 HydrophobicContact CG1-CG2 4.21Å; V306-T310 PolarHBondContact O-N 3.24Å; V306-T310 VanDerWaalsContact O-N 3.13Å; R307-T310 WeakPolarHBondContact CA-OG1 3.46Å; T310-E312 PolarHBondContact O-N 3.07Å; T310-E312 WeakPolarHBondContact OG1-CB 3.37Å; T310-E312 WeakPolarHBondContact OG1-CG 3.32Å; T310-E312 PolarHBondContact OG1-N 3.29Å
311G86.4Confident88.5Confident46 Ų4672.4 Ų72.447%0.47441%0.41SS..  trans69.75.4-174.700000113.9R307 H309 K313R307-G311 CarbonylContact O-C 3.5Å; R307-G311 WeakPolarHBondContact O-CA 3.31Å; R307-G311 PolarHBondContact O-N 3.09Å; H309-G311 PolarHBondContact O-N 3.15Å; G311-K313 PolarHBondContact O-N 2.71Å
312E88.4Confident88.5Confident111 Ų11169.6 Ų69.652%0.51940%0.397SS..  trans-62.4121.2-179.6-76179.5-175.600111.1R307 T310 P314R307-E312 HydrophobicContact CB-CB 4.46Å; R307-E312 HydrophobicContact CG-CB 4.36Å; R307-E312 PolarHBondContact O-N 3.49Å; T310-E312 PolarHBondContact O-N 3.07Å; T310-E312 WeakPolarHBondContact OG1-CB 3.37Å; T310-E312 WeakPolarHBondContact OG1-CG 3.32Å; T310-E312 PolarHBondContact OG1-N 3.29Å; E312-P314 WeakPolarHBondContact O-CD 3.4Å
313K88.8Confident88.1Confident101 Ų10169.3 Ų69.344%0.43941%0.412SS..  trans-12282.5174.1-67173.3179.7-176.10109.1G311 Y315 R325 F326 T327G311-K313 PolarHBondContact O-N 2.71Å; K313-Y315 PolarHBondContact O-N 3.19Å; K313-R325 HydrophobicContact CB-CB 3.54Å; K313-R325 HydrophobicContact CD-CB 4.01Å; K313-R325 HydrophobicContact CG-CB 4.39Å; K313-R325 PolarHBondContact O-NE 3.19Å; K313-R325 VanDerWaalsContact O-NE 3.15Å; K313-R325 PolarHBondContact O-NH2 3.49Å; K313-R325 VanDerWaalsContact O-NH2 3.13Å; K313-F326 CarbonylContact C-O 3.5Å; K313-F326 VanDerWaalsContact CA-O 3.29Å; K313-F326 WeakPolarHBondContact CA-O 3.42Å; K313-T327 HydrophobicContact CG-CG2 3.87Å
314P88.7Confident88Confident64 Ų6468.2 Ų68.242%0.41641%0.407SS..  trans-68.5-25.7-174.7-20.434000112.8E312E312-P314 WeakPolarHBondContact O-CD 3.4Å
315Y90.6Very high88.1Confident76 Ų7673.5 Ų73.530%0.29842%0.424SS..EExtended strand (participates in β ladder)trans-94108.6-173-54.7-72.4000109.8R307 K313 R325 F326 T327 Y329R307-Y315 VanDerWaalsContact NH1-CE2 3.35Å; K313-Y315 PolarHBondContact O-N 3.19Å; Y315-R325 CarbonylContact O-C 3.3Å; Y315-R325 WeakPolarHBondContact O-CA 3.43Å; Y315-F326 PolarHBondContact N-O 3.05Å; Y315-F326 PolarHBondContact O-N 3.2Å; Y315-T327 VanDerWaalsContact CE2-O 3.31Å; Y315-T327 WeakPolarHBondContact CE2-O 3.37Å; Y315-Y329 HydrophobicContact CD1-CD2 4.09Å; Y315-Y329 HydrophobicContact CE1-CD2 4.29Å; Y315-Y329 VanDerWaalsContact CE2-N 3.33Å
316V90Very high88Confident58 Ų5874.9 Ų74.935%0.35243%0.43SS..EExtended strand (participates in β ladder)trans-104.2137.1-179.4-172.40000109.5T318 R325V316-T318 PolarHBondContact O-N 3.02Å; V316-R325 HydrophobicContact CG1-CG 4.32Å; V316-R325 HydrophobicContact CG2-CG 4.05Å
317C91.5Very high87.9Confident5 Ų574.9 Ų74.93%0.03443%0.431CS..  trans-69.6118.3170.3-170.10000109.6V319 C322 K324 L332 H339C317-V319 VanDerWaalsContact C-N 3.26Å; C317-V319 PolarHBondContact O-N 3.04Å; C317-C322 HydrophobicContact CB-CB 4.35Å; C317-K324 HydrophobicContact CB-CB 4.49Å; C317-K324 WeakPolarHBondContact CB-O 3.22Å; C317-K324 PolarHBondContact N-O 3.45Å; C317-L332 HydrophobicContact CB-CD1 3.77Å; C317-H339 PolarHBondContact SG-NE2 2.88Å; C317-H339 VanDerWaalsContact SG-NE2 3.38Å
318T88.3Confident87.8Confident127 Ų12775.4 Ų75.478%0.77944%0.435SS*.  trans-81-4.718052.90000113.2V316 P320V316-T318 PolarHBondContact O-N 3.02Å; T318-P320 WeakPolarHBondContact O-CD 3.34Å
319V86Confident87.8Confident35 Ų3577.1 Ų77.121%0.21244%0.436CS..SBendtrans-66123.3177.1178.70000108.9C317 G321 C322 H339C317-V319 VanDerWaalsContact C-N 3.26Å; C317-V319 PolarHBondContact O-N 3.04Å; V319-G321 PolarHBondContact O-N 3.07Å; V319-C322 HydrophobicContact CB-CB 4.3Å; V319-C322 WeakPolarHBondContact O-CB 3.5Å; V319-C322 PolarHBondContact O-N 3.46Å; V319-C322 VanDerWaalsContact O-N 3.07Å; V319-H339 HydrophobicContact CG1-CB 4.2Å; V319-H339 HydrophobicContact CG2-CB 4.07Å
320P82.9Confident87.7Confident125 Ų12575.9 Ų75.981%0.81244%0.436SS*.THydrogen-bonded Turntrans-52.2135.5180-27.434.9000111.8T318 C322T318-P320 WeakPolarHBondContact O-CD 3.34Å; P320-C322 VanDerWaalsContact C-N 3.25Å; P320-C322 PolarHBondContact O-N 3.2Å
321G82.3Confident87.8Confident94 Ų9474.5 Ų74.597%0.96943%0.429SS*.THydrogen-bonded Turntrans78.4-5.4-179.200000115.7V319V319-G321 PolarHBondContact O-N 3.07Å
322C90.1Very high87.9Confident26 Ų2673.5 Ų73.518%0.17641%0.413CS..THydrogen-bonded Turntrans-87.7-55177.8-171.90000113.7C317 V319 P320 K324 H335 H339C317-C322 HydrophobicContact CB-CB 4.35Å; V319-C322 HydrophobicContact CB-CB 4.3Å; V319-C322 WeakPolarHBondContact O-CB 3.5Å; V319-C322 PolarHBondContact O-N 3.46Å; V319-C322 VanDerWaalsContact O-N 3.07Å; P320-C322 VanDerWaalsContact C-N 3.25Å; P320-C322 PolarHBondContact O-N 3.2Å; C322-K324 PolarHBondContact O-N 3.43Å; C322-K324 VanDerWaalsContact SG-CG 3.58Å; C322-H335 PolarHBondContact SG-NE2 2.75Å; C322-H339 PolarHBondContact SG-CE1 3.35Å; C322-H339 PolarHBondContact SG-NE2 2.9Å
323G84.6Confident87.8Confident52 Ų5274.5 Ų74.554%0.53641%0.413SS..  trans59.64.6178.800000116.4
324K87.8Confident87.6Confident119 Ų11975.2 Ų75.252%0.51742%0.416SS..  trans-68.8136.6-175.2-73.5179.5-175.3176.40111.2C317 C322 F326C317-K324 HydrophobicContact CB-CB 4.49Å; C317-K324 WeakPolarHBondContact CB-O 3.22Å; C317-K324 PolarHBondContact N-O 3.45Å; C322-K324 PolarHBondContact O-N 3.43Å; C322-K324 VanDerWaalsContact SG-CG 3.58Å; K324-F326 HydrophobicContact CB-CE2 3.82Å; K324-F326 HydrophobicContact CB-CZ 3.93Å
325R90.9Very high87.6Confident143 Ų14373 Ų7354%0.5440%0.4SS..EExtended strand (participates in β ladder)trans-113.9143.7-177.8-47-176.164.7137.5-0.5111.2K313 Y315 V316K313-R325 HydrophobicContact CB-CB 3.54Å; K313-R325 HydrophobicContact CD-CB 4.01Å; K313-R325 HydrophobicContact CG-CB 4.39Å; K313-R325 PolarHBondContact O-NE 3.19Å; K313-R325 VanDerWaalsContact O-NE 3.15Å; K313-R325 PolarHBondContact O-NH2 3.49Å; K313-R325 VanDerWaalsContact O-NH2 3.13Å; Y315-R325 CarbonylContact O-C 3.3Å; Y315-R325 WeakPolarHBondContact O-CA 3.43Å; V316-R325 HydrophobicContact CG1-CG 4.32Å; V316-R325 HydrophobicContact CG2-CG 4.05Å
326F88.9Confident87.2Confident42 Ų4273 Ų7318%0.18440%0.403CS..EExtended strand (participates in β ladder)trans-130.7148.6-176-57.4-88.7000111.1K313 Y315 K324 L332 H335K313-F326 CarbonylContact C-O 3.5Å; K313-F326 VanDerWaalsContact CA-O 3.29Å; K313-F326 WeakPolarHBondContact CA-O 3.42Å; Y315-F326 PolarHBondContact N-O 3.05Å; Y315-F326 PolarHBondContact O-N 3.2Å; K324-F326 HydrophobicContact CB-CE2 3.82Å; K324-F326 HydrophobicContact CB-CZ 3.93Å; F326-L332 HydrophobicContact CB-CB 4.27Å; F326-L332 HydrophobicContact CD2-CB 3.76Å; F326-L332 HydrophobicContact CD2-CD1 3.71Å; F326-L332 HydrophobicContact CD2-CG 4.33Å; F326-L332 HydrophobicContact CE2-CB 4.47Å; F326-L332 HydrophobicContact CE2-CD1 3.8Å; F326-L332 HydrophobicContact CG-CB 4.13Å; F326-H335 HydrophobicContact CE1-CB 3.89Å; F326-H335 HydrophobicContact CE2-CB 3.9Å; F326-H335 AromaticContact CE2-CD2 3.4Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.47Å; F326-H335 AromaticContact CE2-CG 3.74Å; F326-H335 HydrophobicContact CZ-CB 3.35Å; F326-H335 AromaticContact CZ-CD2 3.38Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.47Å; F326-H335 AromaticContact CZ-CG 3.24Å
327T87.9Confident86.8Confident36 Ų3671.3 Ų71.322%0.22139%0.392CS..SBendtrans-77.4-25.5175.351.90000112.1R307 K313 Y315R307-T327 HydrophobicContact CB-CG2 4.5Å; R307-T327 PolarHBondContact NH1-O 2.76Å; K313-T327 HydrophobicContact CG-CG2 3.87Å; Y315-T327 VanDerWaalsContact CE2-O 3.31Å; Y315-T327 WeakPolarHBondContact CE2-O 3.37Å
328E87.9Confident86.3Confident66 Ų6674 Ų7431%0.30841%0.408SS..SBendtrans-128.4144-178.5-58.9-170161.700112.7N304 S330 S331 L332N304-E328 HydrophobicContact CB-CG 4.46Å; N304-E328 PolarHBondContact ND2-OE1 3.23Å; E328-S330 PolarHBondContact O-N 3.39Å; E328-S330 PolarHBondContact OE2-OG 3.46Å; E328-S331 WeakPolarHBondContact O-CB 3.45Å; E328-S331 PolarHBondContact O-N 3.45Å; E328-L332 PolarHBondContact O-N 2.83Å
329Y86.1Confident86Confident143 Ų14370.9 Ų70.956%0.56139%0.385SS*.Hα-helixtrans-64.6-38.6177.4-179.2-95.6000112.6Y315 S331 L332 Y333Y315-Y329 HydrophobicContact CD1-CD2 4.09Å; Y315-Y329 HydrophobicContact CE1-CD2 4.29Å; Y315-Y329 VanDerWaalsContact CE2-N 3.33Å; Y329-S331 PolarHBondContact O-N 2.91Å; Y329-L332 WeakPolarHBondContact O-CB 3.37Å; Y329-L332 PolarHBondContact O-N 3.41Å; Y329-L332 VanDerWaalsContact O-N 3.1Å; Y329-Y333 PolarHBondContact O-N 3.09Å
330S85.8Confident85.3Confident52 Ų5272.1 Ų72.136%0.36439%0.393SS..Hα-helixtrans-56.6-36.3176.258.30000112.1E328 K334E328-S330 PolarHBondContact O-N 3.39Å; E328-S330 PolarHBondContact OE2-OG 3.46Å; S330-K334 VanDerWaalsContact O-CG 3.28Å; S330-K334 WeakPolarHBondContact O-CG 3.43Å; S330-K334 PolarHBondContact O-N 3.42Å
331S89Confident84.6Confident43 Ų4372.5 Ų72.530%0.30138%0.383SS..Hα-helixtrans-72.9-40.8177.4-63.60000111.5E328 Y329 H335E328-S331 WeakPolarHBondContact O-CB 3.45Å; E328-S331 PolarHBondContact O-N 3.45Å; Y329-S331 PolarHBondContact O-N 2.91Å; S331-H335 WeakPolarHBondContact O-CB 3.37Å; S331-H335 PolarHBondContact O-N 3.24Å
332L90Very high83.8Confident25 Ų2570.4 Ų70.413%0.13135%0.353CS..Hα-helixtrans-60.8-44.7171.4172.762000111.5C317 F326 E328 Y329 H335 H336C317-L332 HydrophobicContact CB-CD1 3.77Å; F326-L332 HydrophobicContact CB-CB 4.27Å; F326-L332 HydrophobicContact CD2-CB 3.76Å; F326-L332 HydrophobicContact CD2-CD1 3.71Å; F326-L332 HydrophobicContact CD2-CG 4.33Å; F326-L332 HydrophobicContact CE2-CB 4.47Å; F326-L332 HydrophobicContact CE2-CD1 3.8Å; F326-L332 HydrophobicContact CG-CB 4.13Å; E328-L332 PolarHBondContact O-N 2.83Å; Y329-L332 WeakPolarHBondContact O-CB 3.37Å; Y329-L332 PolarHBondContact O-N 3.41Å; Y329-L332 VanDerWaalsContact O-N 3.1Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 WeakPolarHBondContact O-CA 3.4Å; L332-H335 WeakPolarHBondContact O-CB 3.41Å; L332-H335 PolarHBondContact O-N 3Å; L332-H335 VanDerWaalsContact O-N 3.14Å; L332-H336 PolarHBondContact O-N 3Å
333Y86.4Confident83.1Confident132 Ų13274.2 Ų74.252%0.51837%0.367SS..Hα-helixtrans-60.8-49178.8-179.6-96.2000111.7Y329 H335 H336 V337Y329-Y333 PolarHBondContact O-N 3.09Å; Y333-H335 PolarHBondContact O-N 2.81Å; Y333-H336 WeakPolarHBondContact O-CB 3.48Å; Y333-H336 PolarHBondContact O-N 3.16Å; Y333-V337 PolarHBondContact O-N 2.89Å
334K84.4Confident82.7Confident117 Ų11775.6 Ų75.651%0.50937%0.366SS..Hα-helixtrans-58.3-35.7174.2-71.9171.6-1731780112.3S330S330-K334 VanDerWaalsContact O-CG 3.28Å; S330-K334 WeakPolarHBondContact O-CG 3.43Å; S330-K334 PolarHBondContact O-N 3.42Å
335H87.3Confident82.3Confident18 Ų1873.9 Ų73.98%0.08336%0.357CS..Hα-helixtrans-70.3-37175.5171.957.8000112.4C322 F326 S331 L332 Y333 V337 V338 H339C322-H335 PolarHBondContact SG-NE2 2.75Å; F326-H335 HydrophobicContact CE1-CB 3.89Å; F326-H335 HydrophobicContact CE2-CB 3.9Å; F326-H335 AromaticContact CE2-CD2 3.4Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.47Å; F326-H335 AromaticContact CE2-CG 3.74Å; F326-H335 HydrophobicContact CZ-CB 3.35Å; F326-H335 AromaticContact CZ-CD2 3.38Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.47Å; F326-H335 AromaticContact CZ-CG 3.24Å; S331-H335 WeakPolarHBondContact O-CB 3.37Å; S331-H335 PolarHBondContact O-N 3.24Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 WeakPolarHBondContact O-CA 3.4Å; L332-H335 WeakPolarHBondContact O-CB 3.41Å; L332-H335 PolarHBondContact O-N 3Å; L332-H335 VanDerWaalsContact O-N 3.14Å; Y333-H335 PolarHBondContact O-N 2.81Å; H335-V337 PolarHBondContact O-N 3.24Å; H335-V338 WeakPolarHBondContact O-CB 3.38Å; H335-V338 WeakPolarHBondContact O-CG2 3.31Å; H335-V338 PolarHBondContact O-N 3.11Å; H335-H339 AromaticContact CD2-NE2 3.85Å; H335-H339 AromaticContact CE1-CE1 3.84Å; H335-H339 AromaticContact CE1-NE2 3.3Å; H335-H339 PolarHBondContact CE1-NE2 3.45Å; H335-H339 VanDerWaalsContact CE1-NE2 3.3Å; H335-H339 AromaticContact NE2-CD2 3.77Å; H335-H339 AromaticContact NE2-CE1 3.82Å; H335-H339 AromaticContact NE2-NE2 2.94Å; H335-H339 PolarHBondContact NE2-NE2 3.22Å
336H83.3Confident82.1Confident76 Ų7671.1 Ų71.135%0.35236%0.356SS..Hα-helixtrans-59.9-36.1178.9-168.372.2000112.4L332 Y333 V338 H339 T340L332-H336 PolarHBondContact O-N 3Å; Y333-H336 WeakPolarHBondContact O-CB 3.48Å; Y333-H336 PolarHBondContact O-N 3.16Å; H336-V338 PolarHBondContact O-N 3.4Å; H336-V338 VanDerWaalsContact O-N 3.09Å; H336-H339 WeakPolarHBondContact O-CB 3.37Å; H336-H339 PolarHBondContact O-N 3.21Å; H336-T340 PolarHBondContact O-N 3.4Å
337V81.4Confident82Confident21 Ų2169.2 Ų69.213%0.12735%0.348CS..Hα-helixtrans-59.6-20.8173.6-176.80000112.8Y333 H335 T340 C342 R355Y333-V337 PolarHBondContact O-N 2.89Å; H335-V337 PolarHBondContact O-N 3.24Å; V337-T340 PolarHBondContact O-OG1 2.94Å; V337-C342 WeakPolarHBondContact CG1-O 3.47Å; V337-R355 HydrophobicContact CG1-CB 4.11Å; V337-R355 HydrophobicContact CG1-CG 4.48Å
338V81.8Confident81.9Confident62 Ų6272.4 Ų72.438%0.37637%0.372SS..Hα-helixtrans-69.2-37.4174-177.80000111.1H335 H336H335-V338 WeakPolarHBondContact O-CB 3.38Å; H335-V338 WeakPolarHBondContact O-CG2 3.31Å; H335-V338 PolarHBondContact O-N 3.11Å; H336-V338 PolarHBondContact O-N 3.4Å; H336-V338 VanDerWaalsContact O-N 3.09Å
339H80.4Confident81.7Confident61 Ų6173.1 Ų73.128%0.28238%0.381SS..Hα-helixtrans-77.9-35-178.2-63.7-56.4000112.7C317 V319 C322 H335 H336 H341C317-H339 PolarHBondContact SG-NE2 2.88Å; C317-H339 VanDerWaalsContact SG-NE2 3.38Å; V319-H339 HydrophobicContact CG1-CB 4.2Å; V319-H339 HydrophobicContact CG2-CB 4.07Å; C322-H339 PolarHBondContact SG-CE1 3.35Å; C322-H339 PolarHBondContact SG-NE2 2.9Å; H335-H339 AromaticContact CD2-NE2 3.85Å; H335-H339 AromaticContact CE1-CE1 3.84Å; H335-H339 AromaticContact CE1-NE2 3.3Å; H335-H339 PolarHBondContact CE1-NE2 3.45Å; H335-H339 VanDerWaalsContact CE1-NE2 3.3Å; H335-H339 AromaticContact NE2-CD2 3.77Å; H335-H339 AromaticContact NE2-CE1 3.82Å; H335-H339 AromaticContact NE2-NE2 2.94Å; H335-H339 PolarHBondContact NE2-NE2 3.22Å; H336-H339 WeakPolarHBondContact O-CB 3.37Å; H336-H339 PolarHBondContact O-N 3.21Å; H339-H341 PolarHBondContact O-CD2 3.34Å; H339-H341 PolarHBondContact O-N 3.01Å
340T72.7Confident81.8Confident62 Ų6268.7 Ų68.738%0.3837%0.37SS..SBendtrans-75.7-8.8179.7650000112.4H336 V337 C342H336-T340 PolarHBondContact O-N 3.4Å; V337-T340 PolarHBondContact O-OG1 2.94Å; T340-C342 VanDerWaalsContact CB-SG 3.59Å; T340-C342 PolarHBondContact O-N 3.42Å; T340-C342 PolarHBondContact O-SG 2.84Å; T340-C342 PolarHBondContact OG1-SG 2.76Å
341H67Low81.7Confident133 Ų13368.7 Ų68.762%0.61638%0.378SS*.  trans52.50.1-170.1-71.3-98.8000115.5H339 K343 R355H339-H341 PolarHBondContact O-CD2 3.34Å; H339-H341 PolarHBondContact O-N 3.01Å; H341-K343 PolarHBondContact O-N 3.38Å; H341-R355 PolarHBondContact ND1-NH2 3.12Å; H341-R355 VanDerWaalsContact ND1-NH2 3.11Å
342C65.9Low81.4Confident50 Ų5072.5 Ų72.534%0.33839%0.389SS..  trans-60.4132.3179.7-57.70000110.7V337 T340 P344V337-C342 WeakPolarHBondContact CG1-O 3.47Å; T340-C342 VanDerWaalsContact CB-SG 3.59Å; T340-C342 PolarHBondContact O-N 3.42Å; T340-C342 PolarHBondContact O-SG 2.84Å; T340-C342 PolarHBondContact OG1-SG 2.76Å; C342-P344 VanDerWaalsContact O-CD 3.24Å; C342-P344 WeakPolarHBondContact O-CD 3.43Å
343K76.3Confident81Confident106 Ų10674 Ų7446%0.46140%0.4SS..  trans-114.373.7171.5-70.5173.3173.2-171.40108.3H341 Y345 T353 Y354 R355H341-K343 PolarHBondContact O-N 3.38Å; K343-Y345 PolarHBondContact O-N 2.81Å; K343-Y345 VanDerWaalsContact O-N 3.1Å; K343-T353 WeakPolarHBondContact CB-OG1 3.42Å; K343-T353 WeakPolarHBondContact CD-O 3.36Å; K343-T353 WeakPolarHBondContact CD-OG1 3.48Å; K343-Y354 CarbonylContact C-O 3.6Å; K343-Y354 VanDerWaalsContact C-O 3.22Å; K343-Y354 VanDerWaalsContact CA-O 3.25Å; K343-Y354 WeakPolarHBondContact CA-O 3.4Å; K343-R355 HydrophobicContact CG-CG 3.73Å
344P75.3Confident80.9Confident80 Ų8069.8 Ų69.852%0.51938%0.383SS..  trans-69.8-10.9-16928.9-35.3000113.3C342C342-P344 VanDerWaalsContact O-CD 3.24Å; C342-P344 WeakPolarHBondContact O-CD 3.43Å
345Y80.8Confident80.6Confident83 Ų8368 Ų6833%0.32537%0.374SS..EExtended strand (participates in β ladder)trans-104.4108.9-176.6-55-71.2000110.2K343 T353 Y354 T357K343-Y345 PolarHBondContact O-N 2.81Å; K343-Y345 VanDerWaalsContact O-N 3.1Å; Y345-T353 CarbonylContact O-C 3.5Å; Y345-T353 WeakPolarHBondContact O-CA 3.45Å; Y345-Y354 PolarHBondContact N-O 3.22Å; Y345-Y354 PolarHBondContact O-N 3.05Å; Y345-T357 HydrophobicContact CD1-CG2 3.56Å; Y345-T357 HydrophobicContact CD2-CG2 4.34Å; Y345-T357 HydrophobicContact CE1-CG2 3.24Å; Y345-T357 HydrophobicContact CE2-CG2 4.08Å; Y345-T357 HydrophobicContact CG-CG2 4.1Å
346T85.4Confident80.4Confident86 Ų8670.8 Ų70.853%0.52839%0.386SS..EExtended strand (participates in β ladder)trans-99.8140.3179.259.60000110.6S348 K352 T353T346-S348 PolarHBondContact O-N 2.95Å; T346-K352 CarbonylContact C-O 3.55Å; T346-T353 HydrophobicContact CG2-CG2 3.42Å; T346-T353 VanDerWaalsContact CG2-CG2 3.42Å
347C87.6Confident80.3Confident1 Ų171 Ų711%0.00739%0.394CS..  trans-78.3115.7169.9-174.60000108.4T349 C350 G351 K352 Y354 L360 H363 H368C347-T349 PolarHBondContact O-N 2.78Å; C347-C350 PolarHBondContact O-N 2.88Å; C347-G351 VanDerWaalsContact O-CA 3.22Å; C347-G351 WeakPolarHBondContact O-CA 3.42Å; C347-G351 PolarHBondContact O-N 2.76Å; C347-K352 WeakPolarHBondContact CB-O 3.32Å; C347-K352 PolarHBondContact N-O 2.88Å; C347-Y354 HydrophobicContact CB-CE2 4.25Å; C347-L360 HydrophobicContact CB-CD1 3.57Å; C347-H363 PolarHBondContact SG-NE2 2.61Å; C347-H368 VanDerWaalsContact SG-CD2 3.56Å
348S84.6Confident80.4Confident103 Ų10373.2 Ų73.272%0.7241%0.409SS*.THydrogen-bonded Turntrans-58.6-32.4176.546.90000112.5T346T346-S348 PolarHBondContact O-N 2.95Å
349T84.9Confident80.6Confident82 Ų8272.3 Ų72.350%0.50340%0.404SS..THydrogen-bonded Turntrans-77.5-31.7-176.3-39.10000114.1C347 H368C347-T349 PolarHBondContact O-N 2.78Å; T349-H368 HydrophobicContact CG2-CB 4.49Å
350C87.5Confident81Confident49 Ų4970.4 Ų70.433%0.33140%0.396SS..THydrogen-bonded Turntrans-135.57.4-175.972.50000115.5C347 K352 H363 H368C347-C350 PolarHBondContact O-N 2.88Å; C350-K352 PolarHBondContact O-N 3.4Å; C350-K352 VanDerWaalsContact SG-CG 3.59Å; C350-H363 PolarHBondContact SG-NE2 3.38Å; C350-H368 PolarHBondContact SG-NE2 3.4Å
351G83.1Confident81.6Confident52 Ų5269.5 Ų69.554%0.53640%0.395SS..  trans68.2-2.6178.900000115.3C347 T353C347-G351 VanDerWaalsContact O-CA 3.22Å; C347-G351 WeakPolarHBondContact O-CA 3.42Å; C347-G351 PolarHBondContact O-N 2.76Å; G351-T353 PolarHBondContact O-N 2.94Å
352K83.3Confident82.5Confident123 Ų12368.6 Ų68.654%0.53539%0.392SS..  trans-66.6133.7-178.4-71.6178.7-175.31720110.9T346 C347 C350 Y354T346-K352 CarbonylContact C-O 3.55Å; C347-K352 WeakPolarHBondContact CB-O 3.32Å; C347-K352 PolarHBondContact N-O 2.88Å; C350-K352 PolarHBondContact O-N 3.4Å; C350-K352 VanDerWaalsContact SG-CG 3.59Å; K352-Y354 HydrophobicContact CB-CE2 3.68Å; K352-Y354 WeakPolarHBondContact CB-OH 3.29Å; K352-Y354 WeakPolarHBondContact O-CD2 3.41Å; K352-Y354 WeakPolarHBondContact O-CE2 3.27Å
353T82.6Confident83.5Confident58 Ų5867 Ų6736%0.35638%0.38SS..EExtended strand (participates in β ladder)trans-102.2142.8-176.867.10000111.6K343 Y345 T346 G351K343-T353 WeakPolarHBondContact CB-OG1 3.42Å; K343-T353 WeakPolarHBondContact CD-O 3.36Å; K343-T353 WeakPolarHBondContact CD-OG1 3.48Å; Y345-T353 CarbonylContact O-C 3.5Å; Y345-T353 WeakPolarHBondContact O-CA 3.45Å; T346-T353 HydrophobicContact CG2-CG2 3.42Å; T346-T353 VanDerWaalsContact CG2-CG2 3.42Å; G351-T353 PolarHBondContact O-N 2.94Å
354Y82.6Confident83.9Confident43 Ų4363.7 Ų63.717%0.16937%0.366CS..EExtended strand (participates in β ladder)trans-132.2149.2-173.1-63.6-87.3000110.8K343 Y345 C347 K352 L360 H363K343-Y354 CarbonylContact C-O 3.6Å; K343-Y354 VanDerWaalsContact C-O 3.22Å; K343-Y354 VanDerWaalsContact CA-O 3.25Å; K343-Y354 WeakPolarHBondContact CA-O 3.4Å; Y345-Y354 PolarHBondContact N-O 3.22Å; Y345-Y354 PolarHBondContact O-N 3.05Å; C347-Y354 HydrophobicContact CB-CE2 4.25Å; K352-Y354 HydrophobicContact CB-CE2 3.68Å; K352-Y354 WeakPolarHBondContact CB-OH 3.29Å; K352-Y354 WeakPolarHBondContact O-CD2 3.41Å; K352-Y354 WeakPolarHBondContact O-CE2 3.27Å; Y354-L360 HydrophobicContact CD2-CB 3.95Å; Y354-L360 HydrophobicContact CD2-CD1 3.65Å; Y354-L360 HydrophobicContact CD2-CG 4.38Å; Y354-L360 HydrophobicContact CE2-CD1 3.9Å; Y354-L360 HydrophobicContact CG-CB 4.08Å; Y354-H363 HydrophobicContact CE1-CB 3.85Å; Y354-H363 HydrophobicContact CE2-CB 4.13Å; Y354-H363 AromaticContact CE2-CD2 3.42Å; Y354-H363 VanDerWaalsContact CE2-CD2 3.42Å; Y354-H363 WeakPolarHBondContact CE2-CD2 3.37Å; Y354-H363 AromaticContact CE2-CG 3.82Å; Y354-H363 AromaticContact CZ-CD2 3.45Å; Y354-H363 VanDerWaalsContact CZ-CD2 3.45Å; Y354-H363 AromaticContact CZ-CG 3.35Å; Y354-H363 AromaticContact CZ-ND1 3.96Å; Y354-H363 PolarHBondContact OH-CD2 2.83Å; Y354-H363 PolarHBondContact OH-CE1 3.28Å; Y354-H363 VanDerWaalsContact OH-CE1 3.31Å; Y354-H363 PolarHBondContact OH-ND1 2.77Å; Y354-H363 PolarHBondContact OH-NE2 3.32Å
355R79.6Confident84.3Confident80 Ų8067.6 Ų67.630%0.30237%0.37SS..SBendtrans-80.4-20.3178.2-64.7-173.7173.4175.9-7.8113.1V337 H341 K343V337-R355 HydrophobicContact CG1-CB 4.11Å; V337-R355 HydrophobicContact CG1-CG 4.48Å; H341-R355 PolarHBondContact ND1-NH2 3.12Å; H341-R355 VanDerWaalsContact ND1-NH2 3.11Å; K343-R355 HydrophobicContact CG-CG 3.73Å
356Q81.5Confident84.7Confident75 Ų7568.2 Ų68.235%0.3539%0.386SS..SBendtrans-137.4144.3-176.2-60.6-178.3-3.700111.1S358 T359 L360Q356-S358 VanDerWaalsContact C-N 3.28Å; Q356-S358 PolarHBondContact O-N 2.92Å; Q356-S358 PolarHBondContact OE1-OG 3.21Å; Q356-T359 HydrophobicContact CB-CG2 4.34Å; Q356-T359 PolarHBondContact N-OG1 3.23Å; Q356-T359 PolarHBondContact O-N 3.27Å; Q356-T359 PolarHBondContact O-OG1 3.35Å; Q356-L360 PolarHBondContact O-N 3.31Å; Q356-L360 VanDerWaalsContact O-N 3.1Å
357T82.9Confident84.5Confident82 Ų8266.8 Ų66.850%0.50338%0.383SS..Hα-helixtrans-58-39.6173.6510000112.3Y345 T359 L360 A361Y345-T357 HydrophobicContact CD1-CG2 3.56Å; Y345-T357 HydrophobicContact CD2-CG2 4.34Å; Y345-T357 HydrophobicContact CE1-CG2 3.24Å; Y345-T357 HydrophobicContact CE2-CG2 4.08Å; Y345-T357 HydrophobicContact CG-CG2 4.1Å; T357-T359 VanDerWaalsContact C-N 3.33Å; T357-T359 PolarHBondContact O-N 2.95Å; T357-L360 PolarHBondContact O-N 3.33Å; T357-A361 WeakPolarHBondContact O-CB 3.35Å; T357-A361 PolarHBondContact O-N 3.3Å
358S83.7Confident84.3Confident66 Ų6669.7 Ų69.746%0.46240%0.397SS..Hα-helixtrans-60.6-40.7177.152.50000112.6Q356 A361 M362Q356-S358 VanDerWaalsContact C-N 3.28Å; Q356-S358 PolarHBondContact O-N 2.92Å; Q356-S358 PolarHBondContact OE1-OG 3.21Å; S358-A361 PolarHBondContact O-N 2.98Å; S358-M362 WeakPolarHBondContact O-CB 3.43Å; S358-M362 PolarHBondContact O-N 2.89Å
359T85.8Confident83.5Confident43 Ų4367.5 Ų67.526%0.26439%0.39SS..Hα-helixtrans-70.9-36177.552.40000112.1Q356 T357 H363Q356-T359 HydrophobicContact CB-CG2 4.34Å; Q356-T359 PolarHBondContact N-OG1 3.23Å; Q356-T359 PolarHBondContact O-N 3.27Å; Q356-T359 PolarHBondContact O-OG1 3.35Å; T357-T359 VanDerWaalsContact C-N 3.33Å; T357-T359 PolarHBondContact O-N 2.95Å; T359-H363 WeakPolarHBondContact O-CB 3.43Å; T359-H363 PolarHBondContact O-N 2.77Å
360L88.1Confident82.1Confident22 Ų2267.1 Ų67.112%0.11538%0.382CS..Hα-helixtrans-64.4-47.4171.2171.961000111C347 Y354 Q356 T357 M362 H363 K364C347-L360 HydrophobicContact CB-CD1 3.57Å; Y354-L360 HydrophobicContact CD2-CB 3.95Å; Y354-L360 HydrophobicContact CD2-CD1 3.65Å; Y354-L360 HydrophobicContact CD2-CG 4.38Å; Y354-L360 HydrophobicContact CE2-CD1 3.9Å; Y354-L360 HydrophobicContact CG-CB 4.08Å; Q356-L360 PolarHBondContact O-N 3.31Å; Q356-L360 VanDerWaalsContact O-N 3.1Å; T357-L360 PolarHBondContact O-N 3.33Å; L360-M362 VanDerWaalsContact C-N 3.33Å; L360-M362 PolarHBondContact O-N 2.74Å; L360-H363 CarbonylContact O-C 3.54Å; L360-H363 WeakPolarHBondContact O-CA 3.37Å; L360-H363 WeakPolarHBondContact O-CB 3.27Å; L360-H363 PolarHBondContact O-N 3.48Å; L360-H363 VanDerWaalsContact O-N 3.1Å; L360-K364 HydrophobicContact CD1-CG 4.16Å; L360-K364 WeakPolarHBondContact O-CG 3.42Å; L360-K364 PolarHBondContact O-N 3.35Å
361A85.3Confident80.6Confident43 Ų4372.8 Ų72.836%0.35541%0.409SS..Hα-helixtrans-64-36.7179.100000112.5T357 S358 R365T357-A361 WeakPolarHBondContact O-CB 3.35Å; T357-A361 PolarHBondContact O-N 3.3Å; S358-A361 PolarHBondContact O-N 2.98Å; A361-R365 WeakPolarHBondContact O-CB 3.43Å; A361-R365 WeakPolarHBondContact O-CG 3.49Å; A361-R365 PolarHBondContact O-N 3.42Å; A361-R365 VanDerWaalsContact O-N 3.08Å; A361-R365 PolarHBondContact O-NE 3.48Å
362M86.4Confident79.2Confident114 Ų11474.5 Ų74.556%0.56240%0.402SS*.Hα-helixtrans-64.8-42.7171.7-177.1176.162.200111.2S358 L360 R365 S366S358-M362 WeakPolarHBondContact O-CB 3.43Å; S358-M362 PolarHBondContact O-N 2.89Å; L360-M362 VanDerWaalsContact C-N 3.33Å; L360-M362 PolarHBondContact O-N 2.74Å; M362-R365 PolarHBondContact O-N 3.26Å; M362-S366 WeakPolarHBondContact O-CB 3.47Å; M362-S366 PolarHBondContact O-N 3.38Å; M362-S366 PolarHBondContact O-OG 3.29Å
363H86.4Confident77.5Confident17 Ų1773.1 Ų73.18%0.07941%0.414CS..Hα-helixtrans-63.7-44175.6163.865.7000112.6C347 C350 Y354 T359 L360 R365 S366 A367 H368C347-H363 PolarHBondContact SG-NE2 2.61Å; C350-H363 PolarHBondContact SG-NE2 3.38Å; Y354-H363 HydrophobicContact CE1-CB 3.85Å; Y354-H363 HydrophobicContact CE2-CB 4.13Å; Y354-H363 AromaticContact CE2-CD2 3.42Å; Y354-H363 VanDerWaalsContact CE2-CD2 3.42Å; Y354-H363 WeakPolarHBondContact CE2-CD2 3.37Å; Y354-H363 AromaticContact CE2-CG 3.82Å; Y354-H363 AromaticContact CZ-CD2 3.45Å; Y354-H363 VanDerWaalsContact CZ-CD2 3.45Å; Y354-H363 AromaticContact CZ-CG 3.35Å; Y354-H363 AromaticContact CZ-ND1 3.96Å; Y354-H363 PolarHBondContact OH-CD2 2.83Å; Y354-H363 PolarHBondContact OH-CE1 3.28Å; Y354-H363 VanDerWaalsContact OH-CE1 3.31Å; Y354-H363 PolarHBondContact OH-ND1 2.77Å; Y354-H363 PolarHBondContact OH-NE2 3.32Å; T359-H363 WeakPolarHBondContact O-CB 3.43Å; T359-H363 PolarHBondContact O-N 2.77Å; L360-H363 CarbonylContact O-C 3.54Å; L360-H363 WeakPolarHBondContact O-CA 3.37Å; L360-H363 WeakPolarHBondContact O-CB 3.27Å; L360-H363 PolarHBondContact O-N 3.48Å; L360-H363 VanDerWaalsContact O-N 3.1Å; H363-R365 VanDerWaalsContact C-N 3.34Å; H363-R365 PolarHBondContact O-N 2.95Å; H363-S366 PolarHBondContact O-N 3.11Å; H363-S366 PolarHBondContact O-OG 2.96Å; H363-A367 VanDerWaalsContact CE1-CB 3.41Å; H363-A367 WeakPolarHBondContact CE1-CB 3.38Å; H363-A367 WeakPolarHBondContact ND1-CB 3.2Å; H363-A367 VanDerWaalsContact O-CB 3.24Å; H363-A367 WeakPolarHBondContact O-CB 3.23Å; H363-A367 PolarHBondContact O-N 3.48Å; H363-H368 AromaticContact CE1-NE2 3.54Å; H363-H368 AromaticContact NE2-CD2 3.64Å; H363-H368 AromaticContact NE2-NE2 3.2Å; H363-H368 PolarHBondContact NE2-NE2 2.9Å
364K84.6Confident75.9Confident36 Ų3674.5 Ų74.516%0.15742%0.423CS..Hα-helixtrans-57.9-47175.2-74.4-170.5168.3-156.20111.2L360 S366 H368 G369L360-K364 HydrophobicContact CD1-CG 4.16Å; L360-K364 WeakPolarHBondContact O-CG 3.42Å; L360-K364 PolarHBondContact O-N 3.35Å; K364-S366 PolarHBondContact O-N 3.35Å; K364-H368 CarbonylContact O-C 3.56Å; K364-H368 WeakPolarHBondContact O-CA 3.36Å; K364-H368 WeakPolarHBondContact O-CB 3.3Å; K364-H368 PolarHBondContact O-N 3.17Å; K364-G369 PolarHBondContact O-N 2.93Å
365R84.4Confident74.7Confident162 Ų16278.8 Ų78.861%0.61144%0.444SS*.Hα-helixtrans-63.5-39.5176.8-75.9-175.2-68.2165.5-2.7113.7A361 M362 H363A361-R365 WeakPolarHBondContact O-CB 3.43Å; A361-R365 WeakPolarHBondContact O-CG 3.49Å; A361-R365 PolarHBondContact O-N 3.42Å; A361-R365 VanDerWaalsContact O-N 3.08Å; A361-R365 PolarHBondContact O-NE 3.48Å; M362-R365 PolarHBondContact O-N 3.26Å; H363-R365 VanDerWaalsContact C-N 3.34Å; H363-R365 PolarHBondContact O-N 2.95Å
366S87.8Confident73.2Confident95 Ų9582.2 Ų82.266%0.66446%0.464SS*.Hα-helixtrans-89.9-32.8-17466.30000114.7M362 H363 K364M362-S366 WeakPolarHBondContact O-CB 3.47Å; M362-S366 PolarHBondContact O-N 3.38Å; M362-S366 PolarHBondContact O-OG 3.29Å; H363-S366 PolarHBondContact O-N 3.11Å; H363-S366 PolarHBondContact O-OG 2.96Å; K364-S366 PolarHBondContact O-N 3.35Å
367A82.1Confident72Confident56 Ų5679.3 Ų79.346%0.46345%0.452SS..Hα-helixtrans-104.1-23.9-174.400000113.4H363H363-A367 VanDerWaalsContact CE1-CB 3.41Å; H363-A367 WeakPolarHBondContact CE1-CB 3.38Å; H363-A367 WeakPolarHBondContact ND1-CB 3.2Å; H363-A367 VanDerWaalsContact O-CB 3.24Å; H363-A367 WeakPolarHBondContact O-CB 3.23Å; H363-A367 PolarHBondContact O-N 3.48Å
368H82.9Confident70.9Confident63 Ų6382.7 Ų82.729%0.29246%0.462SS..SBendtrans-115.9-1179.7-58.5-54.9000112.8C347 T349 C350 H363 K364 E370C347-H368 VanDerWaalsContact SG-CD2 3.56Å; T349-H368 HydrophobicContact CG2-CB 4.49Å; C350-H368 PolarHBondContact SG-NE2 3.4Å; H363-H368 AromaticContact CE1-NE2 3.54Å; H363-H368 AromaticContact NE2-CD2 3.64Å; H363-H368 AromaticContact NE2-NE2 3.2Å; H363-H368 PolarHBondContact NE2-NE2 2.9Å; K364-H368 CarbonylContact O-C 3.56Å; K364-H368 WeakPolarHBondContact O-CA 3.36Å; K364-H368 WeakPolarHBondContact O-CB 3.3Å; K364-H368 PolarHBondContact O-N 3.17Å; H368-E370 PolarHBondContact O-N 3.44Å
369G67.5Low69.7Low56 Ų5685.7 Ų85.758%0.57747%0.469SS*.  trans61.214.7174.900000114.1K364 L371K364-G369 PolarHBondContact O-N 2.93Å; G369-L371 PolarHBondContact O-N 3.11Å
370E55.2Low68.4Low74 Ų7486 Ų8635%0.34648%0.476SS..  trans-74.196-175.6-145.9176.4-154.700108.4H368 E372H368-E370 PolarHBondContact O-N 3.44Å; E370-E372 VanDerWaalsContact C-N 3.26Å; E370-E372 HydrophobicContact CG-CG 3.78Å; E370-E372 PolarHBondContact O-N 3.49Å; E370-E372 VanDerWaalsContact O-N 3.1Å
371L57.6Low67.2Low169 Ų16988.6 Ų88.689%0.88549%0.489SS*.  trans-75.282.2166.5-74.7172.6000108G369G369-L371 PolarHBondContact O-N 3.11Å
372E53.3Low66.3Low87 Ų8791.4 Ų91.441%0.40749%0.491SS..  trans-97.8103.7168.6-70.9-116.113900109.1E370 S377 L381E370-E372 VanDerWaalsContact C-N 3.26Å; E370-E372 HydrophobicContact CG-CG 3.78Å; E370-E372 PolarHBondContact O-N 3.49Å; E370-E372 VanDerWaalsContact O-N 3.1Å; E372-S377 WeakPolarHBondContact OE1-CB 3.5Å; E372-S377 WeakPolarHBondContact OE2-CB 3.34Å; E372-S377 PolarHBondContact OE2-OG 2.92Å; E372-L381 WeakPolarHBondContact OE2-CD1 3.43Å
373A47.5Very low65.6Low95 Ų9591.5 Ų91.579%0.78549%0.49SS*.  trans-157.374.1155.500000110.3
374T49.8Very low64.8Low87 Ų8795.7 Ų95.753%0.53451%0.51SS..SBendtrans-121149.413858.70000107.3E376 S377T374-E376 PolarHBondContact O-N 3.05Å; T374-S377 PolarHBondContact O-N 3.21Å; T374-S377 PolarHBondContact O-OG 3.45Å
375E56.4Low64.3Low132 Ų132100.5 Ų100.562%0.61753%0.533SS*.Hα-helixtrans-58.3-15.5-178.9-63.9-177154.400112.3
376E48.6Very low63.9Low152 Ų15297.1 Ų97.171%0.7152%0.524SS*.Hα-helixtrans-73-29.3175.1-64.5175.6167.500113.1T374 Q379 A380T374-E376 PolarHBondContact O-N 3.05Å; E376-Q379 PolarHBondContact O-N 3.22Å; E376-A380 WeakPolarHBondContact O-CB 3.39Å; E376-A380 PolarHBondContact O-N 3.24Å
377S55.9Low63.1Low15 Ų1598.5 Ų98.511%0.10552%0.523CS..Hα-helixtrans-81.7-32.8-176.486.90000112.9E372 T374 Q379 A380 L381E372-S377 WeakPolarHBondContact OE1-CB 3.5Å; E372-S377 WeakPolarHBondContact OE2-CB 3.34Å; E372-S377 PolarHBondContact OE2-OG 2.92Å; T374-S377 PolarHBondContact O-N 3.21Å; T374-S377 PolarHBondContact O-OG 3.45Å; S377-Q379 VanDerWaalsContact C-N 3.28Å; S377-Q379 PolarHBondContact O-N 3.17Å; S377-A380 PolarHBondContact O-N 3.15Å; S377-L381 WeakPolarHBondContact O-CB 3.33Å; S377-L381 PolarHBondContact O-N 3.32Å
378E60.5Low62.6Low153 Ų153101 Ų10172%0.71553%0.525SS*.Hα-helixtrans-66-32.9168.7-69.8-171.3161.500111.7Y382E378-Y382 WeakPolarHBondContact O-CB 3.46Å; E378-Y382 PolarHBondContact O-N 3.4Å
379Q57.1Low61.8Low128 Ų128100.5 Ų100.560%0.59853%0.532SS*.Hα-helixtrans-76.3-38.7177.2-161.4160.5-12.600111.6E376 S377 Y382 E383E376-Q379 PolarHBondContact O-N 3.22Å; S377-Q379 VanDerWaalsContact C-N 3.28Å; S377-Q379 PolarHBondContact O-N 3.17Å; Q379-Y382 PolarHBondContact O-N 3.12Å; Q379-E383 PolarHBondContact O-N 3.41Å
380A59Low61.6Low50 Ų50100.4 Ų100.441%0.41353%0.526SS..Hα-helixtrans-66.6-37.7172.600000112.8E376 S377 Y382 E383 Q384E376-A380 WeakPolarHBondContact O-CB 3.39Å; E376-A380 PolarHBondContact O-N 3.24Å; S377-A380 PolarHBondContact O-N 3.15Å; A380-Y382 VanDerWaalsContact C-N 3.29Å; A380-Y382 PolarHBondContact O-N 3.26Å; A380-E383 PolarHBondContact O-N 3.11Å; A380-Q384 VanDerWaalsContact O-CB 3.26Å; A380-Q384 WeakPolarHBondContact O-CB 3.15Å; A380-Q384 PolarHBondContact O-N 3.22Å
381L62.6Low61.4Low76 Ų76100.3 Ų100.340%0.39853%0.534SS..Hα-helixtrans-64.6-34.5172.5-92.3156.1000112.2E372 S377 Q385E372-L381 WeakPolarHBondContact OE2-CD1 3.43Å; S377-L381 WeakPolarHBondContact O-CB 3.33Å; S377-L381 PolarHBondContact O-N 3.32Å; L381-Q385 VanDerWaalsContact O-CB 3.26Å; L381-Q385 WeakPolarHBondContact O-CB 3.44Å; L381-Q385 PolarHBondContact O-N 3.13Å
382Y66.5Low61.4Low103 Ų10395.5 Ų95.540%0.40452%0.518SS..Hα-helixtrans-71.8-41.6175.9-170.7-107.9000111.7E378 Q379 A380 Q385 Q386E378-Y382 WeakPolarHBondContact O-CB 3.46Å; E378-Y382 PolarHBondContact O-N 3.4Å; Q379-Y382 PolarHBondContact O-N 3.12Å; A380-Y382 VanDerWaalsContact C-N 3.29Å; A380-Y382 PolarHBondContact O-N 3.26Å; Y382-Q385 PolarHBondContact O-N 2.76Å; Y382-Q386 WeakPolarHBondContact O-CG 3.39Å; Y382-Q386 PolarHBondContact O-N 3.37Å; Y382-Q386 PolarHBondContact OH-NE2 3.34Å
383E72.7Confident61.6Low115 Ų11595.4 Ų95.454%0.53753%0.532SS..Hα-helixtrans-65.8-41.2172.5-85.3179.4160.900112.5Q379 A380 Q385 Q386 L387Q379-E383 PolarHBondContact O-N 3.41Å; A380-E383 PolarHBondContact O-N 3.11Å; E383-Q385 VanDerWaalsContact C-N 3.32Å; E383-Q385 PolarHBondContact O-N 3.21Å; E383-Q386 PolarHBondContact O-N 3.1Å; E383-Q386 VanDerWaalsContact O-N 3.16Å; E383-L387 WeakPolarHBondContact O-CG 3.43Å; E383-L387 PolarHBondContact O-N 3.48Å
384Q69.1Low61.7Low106 Ų10699.3 Ų99.350%0.49553%0.534SS..Hα-helixtrans-63.3-39.6176-172.7176.2-3.500111.3A380 Q386 L387 E388A380-Q384 VanDerWaalsContact O-CB 3.26Å; A380-Q384 WeakPolarHBondContact O-CB 3.15Å; A380-Q384 PolarHBondContact O-N 3.22Å; Q384-Q386 VanDerWaalsContact C-N 3.31Å; Q384-Q386 PolarHBondContact O-N 3.1Å; Q384-L387 PolarHBondContact O-N 2.74Å; Q384-E388 PolarHBondContact NE2-OE1 2.76Å; Q384-E388 WeakPolarHBondContact O-CB 3.2Å; Q384-E388 WeakPolarHBondContact O-CG 3.43Å; Q384-E388 PolarHBondContact O-N 3.15Å
385Q73.6Confident61.6Low137 Ų137102.8 Ų102.864%0.6454%0.544SS*.Hα-helixtrans-68.6-28.8175.8-168.6163.852.700112.7L381 Y382 E383 A389L381-Q385 VanDerWaalsContact O-CB 3.26Å; L381-Q385 WeakPolarHBondContact O-CB 3.44Å; L381-Q385 PolarHBondContact O-N 3.13Å; Y382-Q385 PolarHBondContact O-N 2.76Å; E383-Q385 VanDerWaalsContact C-N 3.32Å; E383-Q385 PolarHBondContact O-N 3.21Å; Q385-A389 WeakPolarHBondContact O-CB 3.42Å; Q385-A389 PolarHBondContact O-N 2.79Å
386Q75.6Confident60.9Low91 Ų91101.4 Ų101.443%0.42555%0.55SS..Hα-helixtrans-74.9-38.8171.7-74-178.5-0.400112.4Y382 E383 Q384 A389 A390Y382-Q386 WeakPolarHBondContact O-CG 3.39Å; Y382-Q386 PolarHBondContact O-N 3.37Å; Y382-Q386 PolarHBondContact OH-NE2 3.34Å; E383-Q386 PolarHBondContact O-N 3.1Å; E383-Q386 VanDerWaalsContact O-N 3.16Å; Q384-Q386 VanDerWaalsContact C-N 3.31Å; Q384-Q386 PolarHBondContact O-N 3.1Å; Q386-A389 PolarHBondContact O-N 3.32Å; Q386-A390 WeakPolarHBondContact O-CB 3.41Å; Q386-A390 PolarHBondContact O-N 2.88Å
387L72.4Confident60.5Low123 Ų12399.7 Ų99.764%0.64455%0.551SS**Hα-helixtrans-68-39.4176.2-73.9164000112.1E383 Q384 A389 A390 S391E383-L387 WeakPolarHBondContact O-CG 3.43Å; E383-L387 PolarHBondContact O-N 3.48Å; Q384-L387 PolarHBondContact O-N 2.74Å; L387-A389 VanDerWaalsContact C-N 3.34Å; L387-A390 PolarHBondContact O-N 2.88Å; L387-S391 PolarHBondContact O-N 2.9Å; L387-S391 PolarHBondContact O-OG 3.37Å
388E71.6Confident59.5Low108 Ų108104.4 Ų104.451%0.50558%0.582SS.*Hα-helixtrans-64.9-37.8173.8-74.9174.2-175.100111.6Q384 S391 A392Q384-E388 PolarHBondContact NE2-OE1 2.76Å; Q384-E388 WeakPolarHBondContact O-CB 3.2Å; Q384-E388 WeakPolarHBondContact O-CG 3.43Å; Q384-E388 PolarHBondContact O-N 3.15Å; E388-S391 WeakPolarHBondContact CA-OG 3.34Å; E388-S391 PolarHBondContact O-OG 2.84Å; E388-A392 WeakPolarHBondContact O-CB 3.37Å; E388-A392 PolarHBondContact O-N 3.04Å
389A66.4Low58.2Low53 Ų53103.1 Ų103.144%0.43859%0.587SS.*Hα-helixtrans-68.6-33.7173.300000112.8Q385 Q386 L387 A393Q385-A389 WeakPolarHBondContact O-CB 3.42Å; Q385-A389 PolarHBondContact O-N 2.79Å; Q386-A389 PolarHBondContact O-N 3.32Å; L387-A389 VanDerWaalsContact C-N 3.34Å; A389-A393 PolarHBondContact O-N 3.41Å
390A62.6Low57.3Low55 Ų55106.8 Ų106.846%0.45560%0.601SS.*Hα-helixtrans-72.1-39.9174.300000112.1Q386 L387 A392 A393 E394Q386-A390 WeakPolarHBondContact O-CB 3.41Å; Q386-A390 PolarHBondContact O-N 2.88Å; L387-A390 PolarHBondContact O-N 2.88Å; A390-A392 VanDerWaalsContact C-N 3.33Å; A390-A392 PolarHBondContact O-N 2.89Å; A390-A393 WeakPolarHBondContact O-CB 3.43Å; A390-A393 PolarHBondContact O-N 3.3Å; A390-A393 VanDerWaalsContact O-N 3.14Å; A390-E394 PolarHBondContact O-N 3.28Å
391S51.5Low56Low72 Ų72115.7 Ų115.750%0.50362%0.624SS.*Hα-helixtrans-68.9-30.8175600000113L387 E388 A393 E394 E395L387-S391 PolarHBondContact O-N 2.9Å; L387-S391 PolarHBondContact O-OG 3.37Å; E388-S391 WeakPolarHBondContact CA-OG 3.34Å; E388-S391 PolarHBondContact O-OG 2.84Å; S391-A393 PolarHBondContact O-N 3.31Å; S391-E394 PolarHBondContact O-N 3.44Å; S391-E395 PolarHBondContact O-N 3.09Å
392A57.8Low54.3Low67 Ų67117.8 Ų117.855%0.55464%0.642SS**Hα-helixtrans-71.1-15.917300000113E388 A390E388-A392 WeakPolarHBondContact O-CB 3.37Å; E388-A392 PolarHBondContact O-N 3.04Å; A390-A392 VanDerWaalsContact C-N 3.33Å; A390-A392 PolarHBondContact O-N 2.89Å
393A56.8Low52.5Low85 Ų85124.5 Ų124.570%0.70267%0.667SS**Hα-helixtrans-88-18173.100000113.1A389 A390 S391A389-A393 PolarHBondContact O-N 3.41Å; A390-A393 WeakPolarHBondContact O-CB 3.43Å; A390-A393 PolarHBondContact O-N 3.3Å; A390-A393 VanDerWaalsContact O-N 3.14Å; S391-A393 PolarHBondContact O-N 3.31Å
394E50.3Low50.2Low177 Ų177125.9 Ų125.983%0.82768%0.676SS**Hα-helixtrans-84.8-18.1174-72.2-96.514300112.6A390 S391 S396A390-E394 PolarHBondContact O-N 3.28Å; S391-E394 PolarHBondContact O-N 3.44Å; E394-S396 PolarHBondContact O-N 2.95Å
395E46.9Very low48.2Very low160 Ų160124.8 Ų124.875%0.74869%0.685SS**SBendtrans-75.8114.7169.8-111.3-18017300110.2S391S391-E395 PolarHBondContact O-N 3.09Å
396S41.9Very low45.9Very low104 Ų104128.6 Ų128.673%0.72770%0.695SS**PPolyproline II helixtrans-47.4136.6-176.453.50000113E394E394-S396 PolarHBondContact O-N 2.95Å
397P39.3Very low43.6Very low115 Ų115131.7 Ų131.775%0.74771%0.714SS**PPolyproline II helixtrans-63.5142.9-177.225.8-32.8000110.8
398P36.3Very low41.5Very low114 Ų114131.2 Ų131.274%0.7472%0.721SS**PPolyproline II helixtrans-60.3144.3174.124.7-32000110.1K400P398-K400 PolarHBondContact O-N 2.86Å
399P32.5Very low39.4Very low127 Ų127134.4 Ų134.483%0.82574%0.736SS**PPolyproline II helixtrans-59.2128.8-174.722.5-32000110.9R401P399-R401 PolarHBondContact O-N 3.27Å
400K38.3Very low37.5Very low204 Ų204138 Ų13889%0.88775%0.752SS**PPolyproline II helixtrans-53.6123.9175.5-66.9176.6-179.5174.90109.3P398P398-K400 PolarHBondContact O-N 2.86Å
401R30.7Very low35.8Very low237 Ų237144.7 Ų144.789%0.89477%0.771SS**PPolyproline II helixtrans-57.2135.3167.9-71.7-176.7178.8-160.2-0.1109P399 R403P399-R401 PolarHBondContact O-N 3.27Å; R401-R403 PolarHBondContact O-N 3.41Å
402P28.3Very low34.7Very low121 Ų121150 Ų15079%0.78679%0.788SS**PPolyproline II helixtrans-64.7130.2178.325.9-31.5000109.6I404P402-I404 PolarHBondContact O-N 2.94Å
403R27.2Very low33.3Very low243 Ų243155.8 Ų155.892%0.91780%0.803SS**PPolyproline II helixtrans-68.7116.5168.8-157.8172.8176.9146.6-1.5106.3R401 A405R401-R403 PolarHBondContact O-N 3.41Å; R403-A405 PolarHBondContact O-N 3.13Å
404I26Very low31.9Very low145 Ų145156.1 Ų156.174%0.74480%0.801SS**  trans-63.1105.7174.3-62.6171.4000107P402 Y406P402-I404 PolarHBondContact O-N 2.94Å; I404-Y406 HydrophobicContact CG2-CD2 3.9Å; I404-Y406 HydrophobicContact CG2-CE2 3.89Å
405A25.8Very low30.8Very low83 Ų83154.6 Ų154.669%0.68680%0.798SS**  trans-81.2118.2162.200000107R403 L407R403-A405 PolarHBondContact O-N 3.13Å; A405-L407 PolarHBondContact O-N 3.44Å
406Y24.8Very low29.7Very low217 Ų217154.5 Ų154.585%0.85180%0.803SS**  trans-80.395.2159.1-90.8-89.9000107.1I404I404-Y406 HydrophobicContact CG2-CD2 3.9Å; I404-Y406 HydrophobicContact CG2-CE2 3.89Å
407L28.3Very low28.8Very low156 Ų156156.9 Ų156.982%0.81781%0.806SS**  trans-98.7121.5152.1-82167.7000106.5A405A405-L407 PolarHBondContact O-N 3.44Å
408S28.1Very low28.9Very low112 Ų112156.6 Ų156.678%0.78380%0.804SS**  trans-121.4108.1159.554.30000107
409E28.3Very low28.3Very low175 Ų175155.4 Ų155.482%0.81880%0.804SS**  trans-99.5173.9159.8-80.5-171.6164.600109.9
410V26.8Very low27.9Very low129 Ų129157.7 Ų157.778%0.78280%0.803SS**  trans91.8115.1175.4-153.10000111.9
411K25.4Very low27.1Very low196 Ų196154.1 Ų154.185%0.85280%0.798SS**  cis-166159.540.8-143.7161.5-173.1178.20112.2
412E29.6Very low26.6Very low183 Ų183146.9 Ų146.986%0.85579%0.789SS**  trans-62.1150.3176.2-54.1-175.3146.800116
413E27.6Very low26.2Very low188 Ų188149.1 Ų149.188%0.87979%0.791SS**  trans167.4103.1138.9-98.1175.9172.600107.7
414S27.3Very low25.9Very low93 Ų93142.9 Ų142.965%0.6578%0.78SS**  86.8128.690.2710000115
415D26.8Very low25.7Very low144 Ų144141 Ų14177%0.7778%0.776SS**  trans90.3123.8153-56.8-26.1000122.4
416D24.8Very low25.6Very low158 Ų158145 Ų14585%0.84578%0.78SS**  trans90.4106.7149.2-63.9-30.3000122.7
417I22.9Very low25.5Very low155 Ų155142.2 Ų142.280%0.79578%0.775SS**  trans-80.5179.8154.3-29.1176.1000107.4
418P40.7Very low25.4Very low108 Ų108142.3 Ų142.370%0.70178%0.776SS**  cis-136.7-177.7-17.915.112.6000114.9
419A25.1Very low25.3Very low90 Ų90140.4 Ų140.474%0.74477%0.774SS**  trans139.8115.613500000111.8
420Q23.7Very low25Very low175 Ų175136.7 Ų136.782%0.81877%0.774SS**  82110.868.7-71.6-169.744.700116.3
421V20.9Very low24.9Very low128 Ų128136.6 Ų136.678%0.77678%0.775SS**  81.1125125.5-176.90000122.3
422A20.5Very low24.8Very low86 Ų86136.2 Ų136.271%0.71178%0.777SS**  trans63.9163.514500000120.5
423M18.8Very low24.4Very low167 Ų167134.3 Ų134.382%0.82378%0.777SS**  cis-177.2168.6-26.5-89.8-116.9-68.600105.3
424V20.7Very low24.2Very low112 Ų112129.4 Ų129.468%0.67977%0.769SS**  trans97.4104.8148.3-144.30000120.9
425T21.8Very low24Very low107 Ų107133 Ų13366%0.65678%0.78SS**  trans57133.9133.571.50000127
426E24.1Very low24Very low167 Ų167133.8 Ų133.878%0.7878%0.783SS**  trans57.2146.8131-63.3178.3-176.100119.2
427E23.9Very low24.2Very low157 Ų157131.9 Ų131.973%0.73478%0.777SS**  cis-168.8154.721.8-130.3175-172.500108.8
428D25.1Very low24.6Very low158 Ų158133.1 Ų133.185%0.84578%0.779SS**  trans60.4132.5153.6-76.3-21.4000125.9
429G25.6Very low24.1Very low72 Ų72135.6 Ų135.674%0.74279%0.787SS**  trans15471.115400000116.9
430A22.5Very low24.6Very low98 Ų98134.8 Ų134.881%0.8179%0.787SS**  trans-68.7153.6169.900000113
431P25Very low24.8Very low126 Ų126131.1 Ų131.182%0.81879%0.787SS**  trans-116.8131.4133.832.2-28.1000112.4
432Q22.8Very low25.2Very low188 Ų188134.7 Ų134.788%0.87980%0.795SS**  trans-72.6141.9173-74.2164.4-3.500111.7
433V22.7Very low25.5Very low143 Ų143139.5 Ų139.587%0.86780%0.802SS**  trans-134.3121.5153-179.70000108.3
434A21.7Very low25.8Very low86 Ų86138.3 Ų138.371%0.71180%0.804SS**  trans-98140.6175.200000110.2
435L23.3Very low26.1Very low169 Ų169138.3 Ų138.389%0.88581%0.81SS**  trans-129.8125.6158.5-79.3171.9000108.8
436I26.6Very low26.4Very low160 Ų160140.1 Ų140.182%0.82181%0.814SS**PPolyproline II helixtrans-87.2128.3-179-62.2166.8000107.9
437T30.3Very low26.6Very low118 Ų118135 Ų13572%0.72480%0.797SS**PPolyproline II helixtrans-94.9130.6165.253.30000109.2
438Q30.8Very low27.2Very low181 Ų181132.7 Ų132.785%0.84680%0.796SS**SBendtrans-74.4135.2159.3-82.5-179.6-2200108
439D29.7Very low27.9Very low160 Ų160132.9 Ų132.986%0.85679%0.791SS**SBendtrans84.171.6-179.4-50.4-21.4000114.7
440G35.3Very low28.3Very low72 Ų72133.4 Ų133.474%0.74278%0.777SS**  trans-75.6131176.600000114.1
441A28.5Very low29Very low99 Ų99135 Ų13582%0.81877%0.772SS**  trans-164.7115.8137.300000110.9
442Q29.5Very low29.5Very low202 Ų202136.7 Ų136.794%0.94477%0.768SS**  trans83.2123.5158-116.3163.95.200121.4
443Q26.9Very low30Very low187 Ų187131.2 Ų131.287%0.87476%0.755SS**  trans-93.3144.4-176.9-63167.5-1700110.4
444V25.2Very low30.4Very low142 Ų142129.8 Ų129.886%0.86174%0.742SS**  trans-130121.9153.6178.50000107.3
445S26.2Very low30.9Very low113 Ų113128.5 Ų128.579%0.7974%0.737SS**PPolyproline II helixtrans-92.3127.4177.353.10000110.4
446L28.1Very low31.3Very low144 Ų144125.5 Ų125.575%0.75473%0.731SS**PPolyproline II helixtrans-95.1152.2165.9-72.1170000110.3
447S28.8Very low31.5Very low59 Ų59121.8 Ų121.841%0.41372%0.724SS.*PPolyproline II helixtrans-78.2161.6-169.979.70000112.8E449 D450S447-E449 PolarHBondContact O-N 3.35Å; S447-E449 VanDerWaalsContact O-N 3.07Å; S447-D450 PolarHBondContact O-N 3.44Å
448P36.4Very low31.6Very low110 Ų110122.8 Ų122.871%0.71472%0.723SS**Hα-helixtrans-63-14.3-176.5-20.132.6000115.2
449E40.4Very low31.6Very low161 Ų161119 Ų11975%0.75272%0.717SS**Hα-helixtrans-75.2-28.8178.2-64.7-175.5170.200112.1S447 L451 Q452S447-E449 PolarHBondContact O-N 3.35Å; S447-E449 VanDerWaalsContact O-N 3.07Å; E449-L451 VanDerWaalsContact C-N 3.32Å; E449-L451 PolarHBondContact O-N 3.28Å; E449-Q452 PolarHBondContact O-N 3.31Å
450D33.7Very low31.6Very low83 Ų83120.2 Ų120.244%0.44472%0.719SS.*Hα-helixtrans-75.5-20.6176.8-64.2-42.4000112.7S447S447-D450 PolarHBondContact O-N 3.44Å
451L36.1Very low31.2Very low133 Ų133123.4 Ų123.470%0.69672%0.724SS**Hα-helixtrans-82.5-21.6175.8-91162.5000113.1E449E449-L451 VanDerWaalsContact C-N 3.32Å; E449-L451 PolarHBondContact O-N 3.28Å
452Q36.4Very low31.2Very low160 Ų160124.6 Ų124.675%0.74872%0.722SS**Hα-helixtrans-84.7-22.5177-161.7154.7-2.900112.6E449E449-Q452 PolarHBondContact O-N 3.31Å
453A32.9Very low31.3Very low73 Ų73122.8 Ų122.860%0.60371%0.713SS**Hα-helixtrans-71.7-26.6168.900000113.2
454L31.8Very low31.3Very low114 Ų114122 Ų12260%0.59771%0.709SS**SBendtrans-79.9-19.1177.1-104.8144.9000113.8
455G31.7Very low31.4Very low58 Ų58120.9 Ų120.960%0.59871%0.707SS**SBendtrans-83.7-15.5-179.900000115.7
456S32.4Very low31.4Very low107 Ų107120.4 Ų120.475%0.74870%0.704SS**SBendtrans-102.8-6.7-177.3-60.40000114.2
457A30.9Very low31.4Very low82 Ų82118.6 Ų118.668%0.67870%0.699SS**SBendtrans-92-4.2176.300000114.1
458I30.9Very low31.2Very low139 Ų139121.2 Ų121.271%0.71371%0.713SS**SBendtrans-113.132.4-173.9-50-178.6000112.4
459S30.8Very low30.6Very low102 Ų102122.3 Ų122.371%0.71371%0.712SS**SBendtrans-132.413.9173.5-140.80000117.5
460M29.7Very low29.9Very low184 Ų184120.9 Ų120.991%0.90672%0.715SS**SBendtrans-143.246.7165-67.9-162.2-154.200114.3
461V27.5Very low29.5Very low140 Ų140124.5 Ų124.585%0.84873%0.732SS**  trans-133.765.6151-170.90000108.8
462T29.1Very low28.9Very low124 Ų124123.9 Ų123.976%0.76174%0.736SS**  trans-120.5108.8144.756.50000102.6
463Q31.1Very low28.7Very low163 Ų163121.2 Ų121.276%0.76274%0.735SS**SBend-156.4137.878.5-78.7163.16.100110.4
464H27Very low28.5Very low171 Ų171126.3 Ų126.379%0.79275%0.746SS**SBendtrans93.297170.7-54.8-69.5000118.4
465S27.6Very low28.7Very low118 Ų118128.5 Ų128.583%0.82576%0.759SS**  trans70.5104.9152.749.40000120.1
466S26.9Very low28.5Very low104 Ų104130 Ų13073%0.72777%0.765SS**  trans-71.6138.9172.9-40.50000112.9
467T26.8Very low28.3Very low105 Ų105132.2 Ų132.264%0.64477%0.769SS**  trans-113.6131.5169.2-46.80000109
468T25.7Very low28.4Very low114 Ų114136.6 Ų136.670%0.69978%0.78SS**  trans-112.4130.9-177.3-23.30000110
469L23.3Very low28.5Very low134 Ų134133.8 Ų133.870%0.70278%0.777SS**  trans-89.5125.8176.1-81.5156.3000110.3M488L469-M488 HydrophobicContact CD2-CE 4.24Å; L469-M488 HydrophobicContact CD2-SD 3.88Å
470T24.7Very low28.6Very low131 Ų131134.3 Ų134.380%0.80478%0.776SS**  trans-121.3121.3169.223.70000109.9
471I26.3Very low29.1Very low159 Ų159129.2 Ų129.282%0.81576%0.759SS**PPolyproline II helixtrans-97126.8174.3-57.2172.2000107.3S473I471-S473 PolarHBondContact O-N 3.44Å
472P24.3Very low29.3Very low119 Ų119123.7 Ų123.777%0.77373%0.73SS**PPolyproline II helixtrans-74.5124.3172.1-1.718000109.3H474P472-H474 PolarHBondContact O-N 3.18Å
473S31.6Very low29.7Very low105 Ų105122.3 Ų122.373%0.73472%0.722SS**PPolyproline II helixtrans-65.5116.4169.650.80000110.7I471I471-S473 PolarHBondContact O-N 3.44Å
474H29.4Very low30Very low180 Ų180118.7 Ų118.783%0.83370%0.704SS**  trans-164135.8139.6-102.9-66.7000110.2P472 A476P472-H474 PolarHBondContact O-N 3.18Å; H474-A476 PolarHBondContact O-N 3.38Å
475D34.9Very low30.5Very low160 Ų160115.1 Ų115.186%0.85669%0.694SS**  trans-35.1119.5-175.2-62.8-65.3000116.2
476A27.2Very low30.9Very low88 Ų88112.5 Ų112.573%0.72767%0.673SS**  trans-163.3123.7149.100000110.6H474 L478H474-A476 PolarHBondContact O-N 3.38Å; A476-L478 PolarHBondContact O-N 2.99Å
477D27.6Very low31.4Very low155 Ų155111.4 Ų111.483%0.82966%0.662SS**  trans-48.3121.9179.6-65.2-59000114.3A479D477-A479 VanDerWaalsContact C-N 3.28Å; D477-A479 PolarHBondContact O-N 3.13Å
478L34.5Very low31.7Very low174 Ų174110.3 Ų110.391%0.91165%0.651SS**SBendtrans-77.576.3166.2-87.5108.3000110.4A476A476-L478 PolarHBondContact O-N 2.99Å
479A32.3Very low32.2Very low80 Ų80108.2 Ų108.266%0.66164%0.638SS**  trans-142.516.2171.800000114.7D477D477-A479 VanDerWaalsContact C-N 3.28Å; D477-A479 PolarHBondContact O-N 3.13Å
480T32.7Very low32.7Very low113 Ų113104.5 Ų104.569%0.69362%0.623SS**SBendtrans-132.7139.4-179.949.70000113.4G482T480-G482 PolarHBondContact O-N 2.91Å
481S39.5Very low33.2Very low77 Ų77101.6 Ų101.654%0.53861%0.612SS.*  trans-51.5123.7170.1173.80000110.9T503S481-T503 WeakPolarHBondContact CA-O 3.48Å
482G33Very low33.7Very low23 Ų23100.1 Ų100.124%0.23761%0.606CS.*EExtended strand (participates in β ladder)trans-163.7153.2-175.200000114.3T480 T503T480-G482 PolarHBondContact O-N 2.91Å; G482-T503 PolarHBondContact N-O 2.82Å; G482-T503 PolarHBondContact O-N 3.45Å
483T36.9Very low34.3Very low96 Ų9697.1 Ų97.159%0.58960%0.597SS**EExtended strand (participates in β ladder)trans-84.1114.5164.735.20000108.9T500 I501 I502T483-T500 HydrophobicContact CG2-CG2 4.21Å; T483-I501 CarbonylContact C-O 3.53Å; T483-I501 WeakPolarHBondContact CA-O 3.48Å; T483-I502 HydrophobicContact CG2-CB 4.42Å; T483-I502 HydrophobicContact CG2-CD1 3.67Å; T483-I502 HydrophobicContact CG2-CG1 3.59Å; T483-I502 HydrophobicContact CG2-CG2 4.27Å
484H38.5Very low34.7Very low87 Ų8797.6 Ų97.640%0.40360%0.596SS.*EExtended strand (participates in β ladder)trans-104.2115.5175.4-62-76.4000110T500 I501H484-T500 CarbonylContact O-C 3.28Å; H484-T500 WeakPolarHBondContact O-CA 3.34Å; H484-I501 PolarHBondContact N-O 3.24Å; H484-I501 PolarHBondContact O-N 2.77Å
485T36Very low34.9Very low95 Ų9595.1 Ų95.158%0.58358%0.584SS**EExtended strand (participates in β ladder)trans-88113169.225.30000109.8V499 T500T485-V499 CarbonylContact C-O 3.54Å; T485-V499 WeakPolarHBondContact CA-O 3.46Å; T485-T500 HydrophobicContact CG2-CG2 4.05Å; T485-T500 WeakPolarHBondContact CG2-OG1 3.4Å
486V37.3Very low35Very low63 Ų6391.9 Ų91.938%0.38257%0.571SS.*EExtended strand (participates in β ladder)trans-102.3130.8174-178.10000108.4V499 I501V486-V499 PolarHBondContact N-O 3.17Å; V486-V499 PolarHBondContact O-N 3.2Å; V486-I501 HydrophobicContact CG2-CD1 4.12Å
487T37.1Very low35.4Very low81 Ų8193 Ų9350%0.49756%0.561SS.*EExtended strand (participates in β ladder)trans-96.2115178.4-23.80000109Q497T487-Q497 WeakPolarHBondContact CA-O 3.47Å
488M33.4Very low35.7Very low83 Ų8390.2 Ų90.241%0.40955%0.551SS.*EExtended strand (participates in β ladder)trans-82.6128.1173.4-67.7-67.8-75.900108.6L469 T496 Q497 V499L469-M488 HydrophobicContact CD2-CE 4.24Å; L469-M488 HydrophobicContact CD2-SD 3.88Å; M488-T496 WeakPolarHBondContact O-CA 3.31Å; M488-Q497 PolarHBondContact N-O 3.41Å; M488-Q497 PolarHBondContact O-N 3.32Å; M488-V499 HydrophobicContact CG-CG2 4.17Å
489V35.9Very low35.8Very low70 Ų7085.2 Ų85.242%0.42453%0.528SS..EExtended strand (participates in β ladder)trans-110.3127.9177.5-1690000108.1Q495 T496V489-Q495 WeakPolarHBondContact CA-O 3.46Å; V489-T496 HydrophobicContact CG1-CG2 4.24Å; V489-T496 HydrophobicContact CG2-CG2 3.99Å
490S33.8Very low35.9Very low56 Ų5685.4 Ų85.439%0.39252%0.521SS..  trans-63.4151.7172-176.60000110.7D492 G493 Q495S490-D492 PolarHBondContact O-N 2.75Å; S490-G493 PolarHBondContact O-N 3.13Å; S490-Q495 PolarHBondContact N-O 3.04Å; S490-Q495 VanDerWaalsContact N-O 3.12Å
491A35.9Very low36.1Very low69 Ų6984.1 Ų84.157%0.5751%0.509SS*.THydrogen-bonded Turntrans-56.3-19-179.200000114
492D35.7Very low35.8Very low128 Ų12886 Ų8668%0.68451%0.512SS*.THydrogen-bonded Turntrans-91.2-1-179.6-40.2-19.5000112.9S490 T494S490-D492 PolarHBondContact O-N 2.75Å; D492-T494 PolarHBondContact O-N 2.94Å
493G37Very low36Very low57 Ų5788.2 Ų88.259%0.58852%0.52SS*.SBendtrans71.83.8177.900000116.2S490S490-G493 PolarHBondContact O-N 3.13Å
494T40.6Very low35.7Very low115 Ų11589 Ų8971%0.70653%0.53SS*.  trans-100.5-16.6-169.3510000115.6D492D492-T494 PolarHBondContact O-N 2.94Å
495Q33.3Very low35.4Very low127 Ų12787.1 Ų87.159%0.59353%0.534SS*.  trans-126.6128.1175.3-75.4-17123.100111.6V489 S490V489-Q495 WeakPolarHBondContact CA-O 3.46Å; S490-Q495 PolarHBondContact N-O 3.04Å; S490-Q495 VanDerWaalsContact N-O 3.12Å
496T36.4Very low35Very low93 Ų9387 Ų8757%0.57154%0.543SS*.EExtended strand (participates in β ladder)trans-117.7126173.158.40000108.4M488 V489M488-T496 WeakPolarHBondContact O-CA 3.31Å; V489-T496 HydrophobicContact CG1-CG2 4.24Å; V489-T496 HydrophobicContact CG2-CG2 3.99Å
497Q36.3Very low34.5Very low112 Ų11290.5 Ų90.552%0.52356%0.564SS.*EExtended strand (participates in β ladder)trans-127.7130.2173.5-67.9-163.915.400111T487 M488T487-Q497 WeakPolarHBondContact CA-O 3.47Å; M488-Q497 PolarHBondContact N-O 3.41Å; M488-Q497 PolarHBondContact O-N 3.32Å
498P34.4Very low33.9Very low95 Ų9592.8 Ų92.862%0.61758%0.578SS**EExtended strand (participates in β ladder)trans-80.9127.5178.730.9-31.8000111.1
499V35.3Very low33.6Very low70 Ų7093.3 Ų93.342%0.42460%0.595SS.*EExtended strand (participates in β ladder)trans-111.1123.5173.2179.60000108.2T485 V486 M488T485-V499 CarbonylContact C-O 3.54Å; T485-V499 WeakPolarHBondContact CA-O 3.46Å; V486-V499 PolarHBondContact N-O 3.17Å; V486-V499 PolarHBondContact O-N 3.2Å; M488-V499 HydrophobicContact CG-CG2 4.17Å
500T34.7Very low33.3Very low83 Ų8399 Ų9951%0.50962%0.617SS.*EExtended strand (participates in β ladder)trans-98116-179.1-42.50000110.7T483 H484 T485T483-T500 HydrophobicContact CG2-CG2 4.21Å; H484-T500 CarbonylContact O-C 3.28Å; H484-T500 WeakPolarHBondContact O-CA 3.34Å; T485-T500 HydrophobicContact CG2-CG2 4.05Å; T485-T500 WeakPolarHBondContact CG2-OG1 3.4Å
501I36.6Very low32.9Very low87 Ų87103.5 Ų103.545%0.44664%0.637SS.*EExtended strand (participates in β ladder)trans-101.5127.7176.1-56.2175.5000108.1T483 H484 V486 T503T483-I501 CarbonylContact C-O 3.53Å; T483-I501 WeakPolarHBondContact CA-O 3.48Å; H484-I501 PolarHBondContact N-O 3.24Å; H484-I501 PolarHBondContact O-N 2.77Å; V486-I501 HydrophobicContact CG2-CD1 4.12Å; I501-T503 HydrophobicContact CG2-CG2 4.32Å
502I34.4Very low32.4Very low117 Ų117105.9 Ų105.960%0.665%0.649SS**EExtended strand (participates in β ladder)trans-113.7114.2178.5-48.6-171.1000109T483T483-I502 HydrophobicContact CG2-CB 4.42Å; T483-I502 HydrophobicContact CG2-CD1 3.67Å; T483-I502 HydrophobicContact CG2-CG1 3.59Å; T483-I502 HydrophobicContact CG2-CG2 4.27Å
503T35.5Very low32Very low68 Ų68103.3 Ų103.342%0.41765%0.653SS.*EExtended strand (participates in β ladder)trans-107.3121.9175.849.30000110.1S481 G482 I501S481-T503 WeakPolarHBondContact CA-O 3.48Å; G482-T503 PolarHBondContact N-O 2.82Å; G482-T503 PolarHBondContact O-N 3.45Å; I501-T503 HydrophobicContact CG2-CG2 4.32Å
504S32.3Very low31.6Very low112 Ų112107.3 Ų107.378%0.78367%0.666SS**  trans-100.2106.9178.6-55.80000110.2
505G30.8Very low30.8Very low49 Ų49106 Ų10651%0.50567%0.666SS.*  trans-106.2128.117000000110.6
506A28.2Very low30.5Very low92 Ų92105.4 Ų105.476%0.7668%0.677SS**  trans-90.2115.8174.900000110.2
507V26.1Very low29.9Very low137 Ų137108.3 Ų108.383%0.8369%0.688SS**PPolyproline II helixtrans-94.2126.9168-172.80000108.1
508V26.3Very low29.5Very low129 Ų129112.6 Ų112.678%0.78270%0.699SS**PPolyproline II helixtrans-92.9123.2177.1-178.10000108.8
509A25.4Very low29.6Very low93 Ų93116 Ų11677%0.76971%0.707SS**PPolyproline II helixtrans-91.5135.5161.300000108.9D511A509-D511 PolarHBondContact O-N 3.37Å
510E30.4Very low29.5Very low189 Ų189119.5 Ų119.588%0.88372%0.718SS**PPolyproline II helixtrans-66.4116.9-179.4-57.6-166.9151.800111.1
511D26.3Very low29.4Very low152 Ų152122.6 Ų122.681%0.81373%0.727SS**  -179.1134.8115.8-118.4-27.5000111.3A509A509-D511 PolarHBondContact O-N 3.37Å
512S25.4Very low29.2Very low118 Ų118122 Ų12283%0.82573%0.727SS**  trans67.5107.2164.170.70000120.9
513G26.8Very low29.3Very low75 Ų75118.3 Ų118.377%0.77371%0.714SS**  80.782.4127.400000121.7
514V28.1Very low29.2Very low141 Ų141120.5 Ų120.586%0.85572%0.723SS**  trans62.6103.1150.3-164.40000119
515A23.8Very low29.5Very low86 Ų86119.7 Ų119.771%0.71171%0.709SS**  trans-156.4123.3132.200000110.9
516S27Very low29.5Very low116 Ų116120.9 Ų120.981%0.81171%0.714SS**  trans-75.5119168.1176.60000108.3
517L23.4Very low30Very low154 Ų154118.8 Ų118.881%0.80669%0.692SS**  trans-117.3113.9167.8-85.7152.5000107.3
518R29.1Very low30.4Very low202 Ų202116.9 Ų116.976%0.76269%0.69SS**  trans-65.3132.2176.5-70.3177.2169.6-169.1-11.8109.2Q520R518-Q520 PolarHBondContact O-N 2.91Å
519H35.4Very low30.8Very low167 Ų167117.9 Ų117.977%0.77369%0.691SS**  trans-73.6113.9169.5-73.378.4000108.5
520Q32.7Very low31.3Very low143 Ų143116.3 Ų116.367%0.66869%0.685SS**  trans-105.6107.9157.6-94.3175.7-14.200106R518 V522R518-Q520 PolarHBondContact O-N 2.91Å; Q520-V522 PolarHBondContact O-N 3.32Å
521Q33.1Very low31.5Very low148 Ų148111.2 Ų111.269%0.69267%0.667SS**  trans-75.6114.3169.5-70.8177.4-8.100107.2
522V33.8Very low32Very low73 Ų73110.7 Ų110.744%0.44266%0.659SS.*EExtended strand (participates in β ladder)trans-107.6111.8171.2178.90000106.6Q520 L524 A534Q520-V522 PolarHBondContact O-N 3.32Å; V522-L524 HydrophobicContact CG1-CG 4.31Å; V522-A534 HydrophobicContact CG1-CB 4.45Å
523A35.9Very low32.5Very low41 Ų41107.8 Ų107.834%0.33963%0.634SS.*EExtended strand (participates in β ladder)trans-86.2121.5167.900000108V535A523-V535 PolarHBondContact N-O 3Å; A523-V535 PolarHBondContact O-N 3.03Å; A523-V535 VanDerWaalsContact O-N 3.1Å
524L33.2Very low32.9Very low114 Ų114107.5 Ų107.560%0.59762%0.624SS**EExtended strand (participates in β ladder)trans-103.5110173-86.8160.1000108.3V522 H532 A534V522-L524 HydrophobicContact CG1-CG 4.31Å; L524-H532 HydrophobicContact CD2-CB 4.31Å; L524-A534 HydrophobicContact CD2-CB 3.86Å
525L38.5Very low33.3Very low94 Ų94102.2 Ų102.249%0.49259%0.592SS.*EExtended strand (participates in β ladder)trans-94.9118.1169.7-74.8158.7000107.8I533L525-I533 PolarHBondContact N-O 3.21Å; L525-I533 PolarHBondContact O-N 3.41Å; L525-I533 VanDerWaalsContact O-N 3.1Å
526A31.5Very low34Very low74 Ų74103.3 Ų103.361%0.61258%0.582SS**EExtended strand (participates in β ladder)trans-93.5122171.300000108.6
527T38.6Very low34.5Very low49 Ų4999.8 Ų99.830%0.30155%0.554SS.*PPolyproline II helixtrans-100.5159.2172.863.80000110.6N529 G530 T531 M554T527-N529 PolarHBondContact O-N 3.32Å; T527-G530 PolarHBondContact O-N 3.41Å; T527-T531 PolarHBondContact N-O 3.46Å; T527-T531 PolarHBondContact OG1-OG1 3.36Å; T527-T531 VanDerWaalsContact OG1-OG1 3.05Å; T527-M554 HydrophobicContact CG2-CE 4.46Å
528A34.8Very low35.2Very low96 Ų96100.1 Ų100.179%0.79355%0.551SS**THydrogen-bonded Turntrans-60.1-6.3-167.600000116.5
529N33.9Very low36Very low150 Ų150100.2 Ų100.280%0.80256%0.56SS**THydrogen-bonded Turntrans-101.412179.2-68.3-11.9000114T527 T531T527-N529 PolarHBondContact O-N 3.32Å; N529-T531 VanDerWaalsContact C-N 3.26Å; N529-T531 PolarHBondContact O-N 2.92Å
530G35.8Very low36.3Very low61 Ų61101.3 Ų101.363%0.62957%0.566SS**SBendtrans76.210.5178.600000114.4T527T527-G530 PolarHBondContact O-N 3.41Å
531T33.7Very low36.6Very low82 Ų8299.4 Ų99.450%0.50356%0.557SS.*  trans-85119.5169.242.80000109.9T527 N529T527-T531 PolarHBondContact N-O 3.46Å; T527-T531 PolarHBondContact OG1-OG1 3.36Å; T527-T531 VanDerWaalsContact OG1-OG1 3.05Å; N529-T531 VanDerWaalsContact C-N 3.26Å; N529-T531 PolarHBondContact O-N 2.92Å
532H36.9Very low37.3Very low141 Ų14196.3 Ų96.365%0.65355%0.548SS*.EExtended strand (participates in β ladder)trans-90.8118172-67.1-70.3000109.1L524L524-H532 HydrophobicContact CD2-CB 4.31Å
533I35.6Very low37.6Very low57 Ų5798.1 Ų98.129%0.29256%0.555SS.*EExtended strand (participates in β ladder)trans-96.4111.8171.9-56.9176.5000106.9L525 V535L525-I533 PolarHBondContact N-O 3.21Å; L525-I533 PolarHBondContact O-N 3.41Å; L525-I533 VanDerWaalsContact O-N 3.1Å; I533-V535 HydrophobicContact CG2-CG2 3.96Å
534A36.6Very low38Very low68 Ų68104 Ų10456%0.56258%0.575SS**EExtended strand (participates in β ladder)trans-90.9111.9171.300000108.1V522 L524V522-A534 HydrophobicContact CG1-CB 4.45Å; L524-A534 HydrophobicContact CD2-CB 3.86Å
535V36.4Very low38.4Very low30 Ų30103.2 Ų103.218%0.18257%0.569CS.*EExtended strand (participates in β ladder)trans-97.1116.9173.6-173.40000108.3A523 I533 L537 A546A523-V535 PolarHBondContact N-O 3Å; A523-V535 PolarHBondContact O-N 3.03Å; A523-V535 VanDerWaalsContact O-N 3.1Å; I533-V535 HydrophobicContact CG2-CG2 3.96Å; V535-L537 HydrophobicContact CG1-CD2 4.28Å; V535-A546 HydrophobicContact CG1-CB 4.13Å
536Q37.8Very low38.5Very low109 Ų10999.2 Ų99.251%0.50955%0.549SS..EExtended strand (participates in β ladder)trans-96.5106.5174.4-173.3127.313.600107.7E538Q536-E538 PolarHBondContact O-N 3.5Å
537L38.5Very low39.1Very low43 Ų4399.8 Ų99.823%0.22554%0.541CS..  trans-75.4118.1177.6-64.1168.4000108.8V535 A546V535-L537 HydrophobicContact CG1-CD2 4.28Å; L537-A546 HydrophobicContact CD2-CB 3.56Å
538E36.6Very low39.4Very low161 Ų161101.2 Ų101.275%0.75255%0.553SS**  trans-81.9152.8161.7-70.3-170.3163.900109.3Q536 Q540 Q541Q536-E538 PolarHBondContact O-N 3.5Å; E538-Q540 PolarHBondContact O-N 3.14Å; E538-Q541 PolarHBondContact O-N 3.26Å
539E46.7Very low39.9Very low203 Ų203101.1 Ų101.195%0.94954%0.543SS*.THydrogen-bonded Turntrans-65.216.4-150.1-149.2166.4-17000117.2
540Q41.7Very low40.3Very low191 Ų19195 Ų9589%0.89351%0.512SS*.THydrogen-bonded Turntrans-142.44.7176.5-71.9-167.6-42.400116.9E538E538-Q540 PolarHBondContact O-N 3.14Å
541Q38.4Very low40.7Very low102 Ų10295.3 Ų95.348%0.47750%0.502SS..  trans-89.9128.8175.3-76.6-175.8-22.800111.9E538E538-Q541 PolarHBondContact O-N 3.26Å
542T49Very low41.1Very low83 Ų8394 Ų9451%0.50950%0.499SS..  trans-71.6152172.162.10000109.8E544 E545 A546T542-E544 PolarHBondContact O-N 3.46Å; T542-E545 PolarHBondContact O-N 3.35Å; T542-A546 PolarHBondContact O-N 3.4Å
543L39.9Very low41.4Very low112 Ų11290.8 Ų90.859%0.58650%0.497SS*.Hα-helixtrans-53.8-27.7-178.5-174.667000112.6I547L543-I547 HydrophobicContact CG-CD1 4.17Å; L543-I547 WeakPolarHBondContact O-CD1 3.4Å; L543-I547 VanDerWaalsContact O-CG1 3.24Å; L543-I547 WeakPolarHBondContact O-CG1 3.31Å; L543-I547 PolarHBondContact O-N 3.28Å
544E43.8Very low41.8Very low163 Ų16394 Ų9476%0.76251%0.513SS*.Hα-helixtrans-73.7-37.9178.7-63.6-173.915900113.2T542 A546 I547 S548T542-E544 PolarHBondContact O-N 3.46Å; E544-A546 VanDerWaalsContact C-N 3.34Å; E544-I547 PolarHBondContact O-N 3.43Å; E544-S548 PolarHBondContact O-N 3.42Å
545E40.8Very low42.4Very low99 Ų9998.3 Ų98.346%0.46352%0.521SS..Hα-helixtrans-66.4-38.7174.3-73.5-176.7151.700111.5T542 S548 V549T542-E545 PolarHBondContact O-N 3.35Å; E545-S548 PolarHBondContact O-N 3.49Å; E545-V549 WeakPolarHBondContact O-CG2 3.45Å; E545-V549 PolarHBondContact O-N 3.49Å
546A41.8Very low42.5Very low10 Ų10105 Ų1058%0.08355%0.551CS.*Hα-helixtrans-66.2-36.9177.700000112.8V535 L537 T542 E544 A550V535-A546 HydrophobicContact CG1-CB 4.13Å; L537-A546 HydrophobicContact CD2-CB 3.56Å; T542-A546 PolarHBondContact O-N 3.4Å; E544-A546 VanDerWaalsContact C-N 3.34Å; A546-A550 WeakPolarHBondContact O-CB 3.38Å; A546-A550 PolarHBondContact O-N 3.33Å
547I44Very low42.5Very low86 Ų86103.2 Ų103.244%0.44156%0.562SS.*Hα-helixtrans-69.6-41.3174.3-68.2165.1000110.1L543 E544 V549 A550 T551L543-I547 HydrophobicContact CG-CD1 4.17Å; L543-I547 WeakPolarHBondContact O-CD1 3.4Å; L543-I547 VanDerWaalsContact O-CG1 3.24Å; L543-I547 WeakPolarHBondContact O-CG1 3.31Å; L543-I547 PolarHBondContact O-N 3.28Å; E544-I547 PolarHBondContact O-N 3.43Å; I547-V549 PolarHBondContact O-N 3.48Å; I547-A550 PolarHBondContact O-N 3.29Å; I547-T551 WeakPolarHBondContact O-CB 3.48Å; I547-T551 PolarHBondContact O-N 3.41Å; I547-T551 PolarHBondContact O-OG1 2.9Å
548S44.7Very low42.5Very low79 Ų79105.9 Ų105.955%0.55259%0.59SS**Hα-helixtrans-60.3-44.5177.4-170.20000112.6E544 E545 T551 A552E544-S548 PolarHBondContact O-N 3.42Å; E545-S548 PolarHBondContact O-N 3.49Å; S548-T551 PolarHBondContact O-N 3.31Å; S548-A552 WeakPolarHBondContact O-CB 3.32Å; S548-A552 PolarHBondContact O-N 3.06Å
549V46.2Very low42.2Very low94 Ų94104.6 Ų104.657%0.5759%0.593SS**Hα-helixtrans-65.1-41.6176.7173.60000112E545 I547 T551 A552 A553E545-V549 WeakPolarHBondContact O-CG2 3.45Å; E545-V549 PolarHBondContact O-N 3.49Å; I547-V549 PolarHBondContact O-N 3.48Å; V549-T551 VanDerWaalsContact C-N 3.31Å; V549-T551 PolarHBondContact O-N 2.89Å; V549-A552 PolarHBondContact O-N 3.16Å; V549-A553 PolarHBondContact O-N 3.22Å; V549-A553 VanDerWaalsContact O-N 3.12Å
550A41.3Very low41.4Very low20 Ų20100.9 Ų100.917%0.16558%0.584CS.*Hα-helixtrans-64.6-35.717600000112.2A546 I547 M554A546-A550 WeakPolarHBondContact O-CB 3.38Å; A546-A550 PolarHBondContact O-N 3.33Å; I547-A550 PolarHBondContact O-N 3.29Å; A550-M554 WeakPolarHBondContact O-CG 3.31Å; A550-M554 PolarHBondContact O-N 3.48Å
551T44.7Very low40.8Very low68 Ų6899.6 Ų99.642%0.41758%0.582SS.*Hα-helixtrans-75.5-34.6179.9-39.80000111.7I547 S548 V549 M554I547-T551 WeakPolarHBondContact O-CB 3.48Å; I547-T551 PolarHBondContact O-N 3.41Å; I547-T551 PolarHBondContact O-OG1 2.9Å; S548-T551 PolarHBondContact O-N 3.31Å; V549-T551 VanDerWaalsContact C-N 3.31Å; V549-T551 PolarHBondContact O-N 2.89Å; T551-M554 PolarHBondContact O-N 3.34Å
552A42.7Very low40.2Very low54 Ų54102.9 Ų102.945%0.44660%0.598SS.*Hα-helixtrans-66.4-36.8173.200000112.7S548 V549 M554 Q555S548-A552 WeakPolarHBondContact O-CB 3.32Å; S548-A552 PolarHBondContact O-N 3.06Å; V549-A552 PolarHBondContact O-N 3.16Å; A552-M554 PolarHBondContact O-N 3.32Å; A552-Q555 PolarHBondContact O-N 3.39Å
553A42.6Very low39.3Very low74 Ų74105.3 Ų105.361%0.61261%0.612SS**Hα-helixtrans-66.7-24.3175.800000113.2V549V549-A553 PolarHBondContact O-N 3.22Å; V549-A553 VanDerWaalsContact O-N 3.12Å
554M44Very low38.7Very low124 Ų124106.1 Ų106.161%0.61162%0.622SS**THydrogen-bonded Turntrans-81.2-13.9178.2-68.6178.970.800113.8T527 A550 T551 A552T527-M554 HydrophobicContact CG2-CE 4.46Å; A550-M554 WeakPolarHBondContact O-CG 3.31Å; A550-M554 PolarHBondContact O-N 3.48Å; T551-M554 PolarHBondContact O-N 3.34Å; A552-M554 PolarHBondContact O-N 3.32Å
555Q48.8Very low37.9Very low160 Ų160104.6 Ų104.675%0.74862%0.624SS**SBendtrans-94.1-10.2-177.5-73.2171.9-1.300114.1A552 G557A552-Q555 PolarHBondContact O-N 3.39Å; Q555-G557 PolarHBondContact O-N 3.06Å
556Q38.4Very low37.4Very low170 Ų170102 Ų10279%0.79462%0.617SS**SBendtrans-94.195.2172.5-64.5-1719.300110
557G38.5Very low37.1Very low72 Ų72111.7 Ų111.774%0.74266%0.66SS**  trans-65.4142.817800000113.9Q555Q555-G557 PolarHBondContact O-N 3.06Å
558A37.6Very low36.7Very low98 Ų98112.4 Ų112.481%0.8167%0.673SS**  trans57.386.7164.300000117.5
559V30.7Very low36.3Very low135 Ų135111.6 Ų111.682%0.81868%0.677SS**  trans-86.8108157.4-179.50000108.7L561V559-L561 PolarHBondContact O-N 3Å
560T30.3Very low35.8Very low125 Ų125114.2 Ų114.277%0.76770%0.698SS**  trans-70.8117.3163.343.40000109.1E562T560-E562 PolarHBondContact O-N 3.4Å; T560-E562 VanDerWaalsContact O-N 3.17Å
561L28Very low35.5Very low164 Ų164119 Ų11986%0.85973%0.725SS**  trans-71.999.5170.6-88.5151.3000109.5V559V559-L561 PolarHBondContact O-N 3Å
562E26.6Very low35Very low171 Ų171121.6 Ų121.680%0.79974%0.741SS**  trans-79.8112.3156.5-75.9-167.5160.500108.6T560 T564T560-E562 PolarHBondContact O-N 3.4Å; T560-E562 VanDerWaalsContact O-N 3.17Å; E562-T564 PolarHBondContact O-N 3.38Å; E562-T564 VanDerWaalsContact O-N 3.11Å
563T29.4Very low34.6Very low133 Ų133125.4 Ų125.482%0.81676%0.757SS**  trans-66.9103.8169.540.80000109.5
564T27.3Very low34.1Very low129 Ų129128.4 Ų128.479%0.79177%0.766SS**  trans-91113.4160.646.60000108E562 S566E562-T564 PolarHBondContact O-N 3.38Å; E562-T564 VanDerWaalsContact O-N 3.11Å; T564-S566 PolarHBondContact O-N 3.44Å
565V28.4Very low33.5Very low131 Ų131128.7 Ų128.779%0.79478%0.776SS**  trans-71119.9172.6177.60000107.3
566S28.7Very low32.5Very low45 Ų45126.6 Ų126.632%0.31578%0.777SS.*  trans-66.2139.7170.7680000109.7T564 S568 G569 C570T564-S566 PolarHBondContact O-N 3.44Å; S566-S568 PolarHBondContact O-N 3.35Å; S566-S568 PolarHBondContact OG-OG 3.34Å; S566-G569 PolarHBondContact O-N 3.47Å; S566-C570 PolarHBondContact OG-N 3.13Å; S566-C570 PolarHBondContact OG-O 3.28Å
567E36.7Very low32Very low214 Ų214123.5 Ų123.5100%178%0.776SS**THydrogen-bonded Turntrans-64.80.2176.2-79.3-176.415100113.7
568S36Very low31.5Very low100 Ų100127.5 Ų127.570%0.69978%0.779SS**THydrogen-bonded Turntrans-99.67.6166.953.40000114.6S566 C570S566-S568 PolarHBondContact O-N 3.35Å; S566-S568 PolarHBondContact OG-OG 3.34Å; S568-C570 VanDerWaalsContact C-N 3.32Å; S568-C570 PolarHBondContact O-N 3.46Å
569G35.6Very low31Very low63 Ų63129.9 Ų129.965%0.64978%0.776SS**  trans57.540.3173.500000114.2S566S566-G569 PolarHBondContact O-N 3.47Å
570C34.7Very low31.1Very low149 Ų149129.5 Ų129.5100%1.00777%0.772SS**  trans-115.70164.1-72.90000109.3S566 S568S566-C570 PolarHBondContact OG-N 3.13Å; S566-C570 PolarHBondContact OG-O 3.28Å; S568-C570 VanDerWaalsContact C-N 3.32Å; S568-C570 PolarHBondContact O-N 3.46Å

Retrieved 570 of 570 residues in 240.6 ms (Link to these results)