A0A061I917_CRIGR Loading...

Enhancer of polycomb homolog

AlphaFold DB , UniProt , Accession A0A061I917, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Epc1, Length 812 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.1Very low49.2Very low249 Ų249165.8 Ų165.8100%1.22786%0.857SS**  01350-57.3176.8-169.900108
2S37.9Very low51.3Low115 Ų115157.8 Ų157.880%0.80482%0.816SS**  trans-82.1137.5174.740.80000110.8L4S2-L4 PolarHBondContact O-N 2.99Å
3K44.2Very low53Low209 Ų209154 Ų15491%0.90982%0.823SS**  trans-70.4118.6169-88.3-176.1172179.80108.9S5K3-S5 PolarHBondContact O-N 2.57Å
4L43.8Very low54.5Low158 Ų158149.9 Ų149.983%0.82781%0.812SS**  trans-67.796.3168.8-89.1156.1000109.4S2 F6S2-L4 PolarHBondContact O-N 2.99Å; L4-F6 PolarHBondContact O-N 3.03Å
5S45.2Very low56.2Low105 Ų105148.5 Ų148.573%0.73480%0.795SS**  trans-78.5104173.6-177.10000109.6K3 R7K3-S5 PolarHBondContact O-N 2.57Å; S5-R7 PolarHBondContact O-N 3.07Å
6F48.6Very low56.9Low190 Ų190146.8 Ų146.883%0.83380%0.795SS**  trans-71.574.7165.4-88.1-92.1000109.9L4 A8L4-F6 PolarHBondContact O-N 3.03Å; F6-A8 PolarHBondContact O-N 2.76Å
7R49Very low57.7Low219 Ų219145.6 Ų145.683%0.82679%0.787SS**  trans-79.7114.4164.1-166.3175.6-168.4174.43.9107.5S5 R9S5-R7 PolarHBondContact O-N 3.07Å; R7-R9 PolarHBondContact O-N 2.73Å; R7-R9 VanDerWaalsContact O-N 3.1Å
8A51.4Low58.5Low95 Ų95142.6 Ų142.679%0.78578%0.776SS**PPolyproline II helixtrans-52.4119.8171.200000108.8F6F6-A8 PolarHBondContact O-N 2.76Å
9R61.3Low59.1Low238 Ų238142.3 Ų142.390%0.89878%0.779SS**PPolyproline II helixtrans-74.9136.9170-62.5-171.6-175.5-159.42.9106.8R7R7-R9 PolarHBondContact O-N 2.73Å; R7-R9 VanDerWaalsContact O-N 3.1Å
10A61.1Low59.9Low96 Ų96141.6 Ų141.679%0.79377%0.768SS**PPolyproline II helixtrans-55.4144.2170.700000109.5D12A10-D12 PolarHBondContact O-N 2.85Å
11L60.3Low60.4Low150 Ų150142.6 Ų142.679%0.78576%0.761SS**PPolyproline II helixtrans-60.9120.7178.5-70.5172.8000109.3A13L11-A13 PolarHBondContact O-N 3.44Å
12D75.4Confident61.7Low69 Ų69135.1 Ų135.137%0.36973%0.732SS.*  trans-81100.2-179.4-177.3-15.2000108.8A10 S14 K15A10-D12 PolarHBondContact O-N 2.85Å; D12-S14 PolarHBondContact O-N 3.11Å; D12-S14 WeakPolarHBondContact OD1-CB 3.13Å; D12-S14 PolarHBondContact OD1-N 3.46Å; D12-S14 PolarHBondContact OD1-OG 2.89Å; D12-K15 HydrophobicContact CB-CB 4.38Å; D12-K15 HydrophobicContact CB-CD 4.2Å; D12-K15 HydrophobicContact CB-CG 4.28Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-K15 IonicContact OD2-NZ 2.81Å; D12-K15 PolarHBondContact OD2-NZ 2.83Å
13A72.8Confident63.3Low109 Ų109135.5 Ų135.590%0.90172%0.721SS**THydrogen-bonded Turntrans-60.7-13.1-177.800000114.2L11L11-A13 PolarHBondContact O-N 3.44Å
14S74.4Confident64.4Low96 Ų96129.7 Ų129.767%0.67170%0.7SS**THydrogen-bonded Turntrans-83.2-13.5172.775.60000113.7D12D12-S14 PolarHBondContact O-N 3.11Å; D12-S14 WeakPolarHBondContact OD1-CB 3.13Å; D12-S14 PolarHBondContact OD1-N 3.46Å; D12-S14 PolarHBondContact OD1-OG 2.89Å
15K80.3Confident65.4Low130 Ų130126.8 Ų126.857%0.56569%0.685SS**SBendtrans-99.3120.5178.8-71.5-17817558.80110.5D12 L17D12-K15 HydrophobicContact CB-CB 4.38Å; D12-K15 HydrophobicContact CB-CD 4.2Å; D12-K15 HydrophobicContact CB-CG 4.28Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-K15 IonicContact OD2-NZ 2.81Å; D12-K15 PolarHBondContact OD2-NZ 2.83Å; K15-L17 PolarHBondContact O-N 3.05Å
16P66.4Low66.3Low121 Ų121125.4 Ų125.479%0.78667%0.673SS**PPolyproline II helixtrans-64.2129.4171.327.7-33.2000109.5
17L70.5Confident66.7Low126 Ų126121.9 Ų121.966%0.6666%0.663SS**PPolyproline II helixtrans-69.2132.9171.6-85.476.5000109.2K15 V19K15-L17 PolarHBondContact O-N 3.05Å; L17-V19 PolarHBondContact O-N 3.35Å
18P72.3Confident67.1Low92 Ų92118 Ų11860%0.59766%0.658SS**PPolyproline II helixtrans-67.6125170.428.2-33000109.7F20P18-F20 HydrophobicContact CB-CE2 3.84Å; P18-F20 HydrophobicContact CB-CZ 3.9Å; P18-F20 HydrophobicContact CG-CE2 3.7Å; P18-F20 HydrophobicContact CG-CZ 3.97Å
19V71Confident67.4Low137 Ų137120.1 Ų120.183%0.8365%0.651SS**  trans-95.6105.7173.2-179.80000108.1L17L17-V19 PolarHBondContact O-N 3.35Å
20F73.9Confident66.9Low128 Ų128115.5 Ų115.556%0.56164%0.64SS**  trans-84.4141.8174.7-59.7-82.6000110.5P18 D24 L25P18-F20 HydrophobicContact CB-CE2 3.84Å; P18-F20 HydrophobicContact CB-CZ 3.9Å; P18-F20 HydrophobicContact CG-CE2 3.7Å; P18-F20 HydrophobicContact CG-CZ 3.97Å; F20-D24 HydrophobicContact CB-CB 4.18Å; F20-D24 HydrophobicContact CD1-CB 4.09Å; F20-L25 HydrophobicContact CB-CD2 3.97Å; F20-L25 HydrophobicContact CB-CG 4.44Å; F20-L25 HydrophobicContact CG-CD2 4.41Å
21R70Confident66.4Low163 Ų163118.7 Ų118.762%0.61563%0.633SS**  trans-87.5169.8167.6-54.7-178.5173.8-155.7-2.9110.3E23 D24 L25R21-E23 VanDerWaalsContact CB-CD 3.43Å; R21-E23 HydrophobicContact CB-CG 3.96Å; R21-E23 WeakPolarHBondContact CB-OE2 3.14Å; R21-E23 WeakPolarHBondContact CD-OE1 3.39Å; R21-E23 IonicContact NH1-OE1 3.88Å; R21-E23 PolarHBondContact O-N 3.38Å; R21-D24 VanDerWaalsContact CB-OD2 3.23Å; R21-D24 WeakPolarHBondContact CB-OD2 3.46Å; R21-D24 WeakPolarHBondContact CG-OD2 3.17Å; R21-D24 PolarHBondContact N-OD2 3.45Å; R21-D24 PolarHBondContact O-N 2.9Å; R21-L25 PolarHBondContact O-N 3.2Å
22C67.2Low66Low92 Ų92115.3 Ų115.362%0.62263%0.627SS**G310 helixtrans-57.7-37.6177-57.20000111.6D24 R732C22-D24 VanDerWaalsContact C-N 3.32Å; C22-R732 PolarHBondContact SG-NH2 2.87Å
23E70.2Confident64.8Low122 Ų122116 Ų11657%0.5764%0.637SS**G310 helixtrans-73.8-12.8175.958.1-91.3-151.700115.1R21R21-E23 VanDerWaalsContact CB-CD 3.43Å; R21-E23 HydrophobicContact CB-CG 3.96Å; R21-E23 WeakPolarHBondContact CB-OE2 3.14Å; R21-E23 WeakPolarHBondContact CD-OE1 3.39Å; R21-E23 IonicContact NH1-OE1 3.88Å; R21-E23 PolarHBondContact O-N 3.38Å
24D68.1Low63.4Low87 Ų87115.7 Ų115.747%0.46562%0.619SS.*G310 helixtrans-96.2-7.7177.5-55.8-48.6000113F20 R21 C22F20-D24 HydrophobicContact CB-CB 4.18Å; F20-D24 HydrophobicContact CD1-CB 4.09Å; R21-D24 VanDerWaalsContact CB-OD2 3.23Å; R21-D24 WeakPolarHBondContact CB-OD2 3.46Å; R21-D24 WeakPolarHBondContact CG-OD2 3.17Å; R21-D24 PolarHBondContact N-OD2 3.45Å; R21-D24 PolarHBondContact O-N 2.9Å; C22-D24 VanDerWaalsContact C-N 3.32Å
25L64.8Low62Low97 Ų97118.5 Ų118.551%0.50863%0.626SS.*SBendtrans-85.3130.2179.1-65.8172.5000109.8F20 R21F20-L25 HydrophobicContact CB-CD2 3.97Å; F20-L25 HydrophobicContact CB-CG 4.44Å; F20-L25 HydrophobicContact CG-CD2 4.41Å; R21-L25 PolarHBondContact O-N 3.2Å
26P64.4Low60.4Low77 Ų77122.4 Ų122.450%0.564%0.638SS.*PPolyproline II helixtrans-63.6147.4171.928.7-34.4000110.1L28 Y31P26-L28 PolarHBondContact O-N 2.95Å; P26-Y31 HydrophobicContact CG-CE2 4.28Å
27D56.8Low59.5Low115 Ų115121.8 Ų121.862%0.61564%0.642SS**PPolyproline II helixtrans-56.8125.1-176.3-168.3-22.9000110.6H29 E30D27-H29 PolarHBondContact O-N 2.8Å; D27-H29 PolarHBondContact OD1-N 3.05Å; D27-H29 VanDerWaalsContact OD1-N 3.11Å; D27-E30 PolarHBondContact O-N 2.84Å; D27-E30 VanDerWaalsContact O-N 3.08Å
28L57.4Low58.3Low137 Ų137121 Ų12172%0.71764%0.643SS**Hα-helixtrans-56.3-22.8-177.6-104.768.3000112.6P26 E30 Y31 A32P26-L28 PolarHBondContact O-N 2.95Å; L28-E30 VanDerWaalsContact C-N 3.32Å; L28-E30 PolarHBondContact O-N 2.94Å; L28-Y31 PolarHBondContact O-N 3.26Å; L28-A32 PolarHBondContact O-N 3.36Å
29H55.9Low57.2Low140 Ų140121.8 Ų121.865%0.64865%0.647SS**Hα-helixtrans-61.5-35.6177.5-132.494.4000113.5D27D27-H29 PolarHBondContact O-N 2.8Å; D27-H29 PolarHBondContact OD1-N 3.05Å; D27-H29 VanDerWaalsContact OD1-N 3.11Å
30E52Low56Low142 Ų142123.6 Ų123.666%0.66465%0.647SS**Hα-helixtrans-69.4-40.7179.3-67.6-162.3131.100111.5D27 L28 S33D27-E30 PolarHBondContact O-N 2.84Å; D27-E30 VanDerWaalsContact O-N 3.08Å; L28-E30 VanDerWaalsContact C-N 3.32Å; L28-E30 PolarHBondContact O-N 2.94Å; E30-S33 PolarHBondContact O-N 3.32Å; E30-S33 PolarHBondContact O-OG 3.25Å
31Y50.1Low54.8Low163 Ų163124.2 Ų124.264%0.63965%0.653SS**Hα-helixtrans-70.4-32.8179.4-95.3-85.2000113.7P26 L28 S33 I34P26-Y31 HydrophobicContact CG-CE2 4.28Å; L28-Y31 PolarHBondContact O-N 3.26Å; Y31-S33 PolarHBondContact O-N 3.5Å; Y31-S33 VanDerWaalsContact O-N 3.17Å; Y31-I34 HydrophobicContact CD1-CD1 4.19Å; Y31-I34 HydrophobicContact CE1-CD1 4.36Å; Y31-I34 PolarHBondContact O-N 3.5Å; Y31-I34 VanDerWaalsContact O-N 3.15Å
32A51.4Low54Low79 Ų79121.8 Ų121.865%0.65366%0.659SS**Hα-helixtrans-60.7-24.117800000113.4L28L28-A32 PolarHBondContact O-N 3.36Å
33S50.1Low53.7Low84 Ų84121.8 Ų121.859%0.58766%0.656SS**THydrogen-bonded Turntrans-77.4-18.5179.274.40000114.2E30 Y31 N35E30-S33 PolarHBondContact O-N 3.32Å; E30-S33 PolarHBondContact O-OG 3.25Å; Y31-S33 PolarHBondContact O-N 3.5Å; Y31-S33 VanDerWaalsContact O-N 3.17Å; S33-N35 VanDerWaalsContact C-N 3.33Å; S33-N35 PolarHBondContact O-N 3.27Å; S33-N35 PolarHBondContact O-ND2 2.92Å
34I45Very low53.2Low102 Ų102120 Ų12052%0.52367%0.67SS.*  trans-81.278.4-173-51.4-179.9000110.4Y31 R36Y31-I34 HydrophobicContact CD1-CD1 4.19Å; Y31-I34 HydrophobicContact CE1-CD1 4.36Å; Y31-I34 PolarHBondContact O-N 3.5Å; Y31-I34 VanDerWaalsContact O-N 3.15Å; I34-R36 PolarHBondContact O-N 2.94Å
35N45.1Very low53Low154 Ų154118.6 Ų118.682%0.82466%0.662SS**  trans-70.562.2176.6-80.8-81.3000113.2S33S33-N35 VanDerWaalsContact C-N 3.33Å; S33-N35 PolarHBondContact O-N 3.27Å; S33-N35 PolarHBondContact O-ND2 2.92Å
36R46.8Very low53Low213 Ų213121.1 Ų121.180%0.80467%0.671SS**  trans-102129.5155.5-78.3-172.2168.3-166-2.4108I34 V38I34-R36 PolarHBondContact O-N 2.94Å; R36-V38 VanDerWaalsContact C-N 3.33Å; R36-V38 PolarHBondContact O-N 3.42Å
37A46.2Very low52.9Low107 Ų107125.9 Ų125.988%0.88468%0.684SS**  trans-63.691.6176.600000110.7P39A37-P39 WeakPolarHBondContact O-CD 3.22Å
38V46.4Very low53.3Low111 Ų111128.1 Ų128.167%0.67369%0.69SS**  trans-65.1122.4167-179.90000106.7R36 Q40R36-V38 VanDerWaalsContact C-N 3.33Å; R36-V38 PolarHBondContact O-N 3.42Å; V38-Q40 PolarHBondContact O-N 2.94Å
39P47.7Very low53.5Low107 Ų107126.7 Ų126.770%0.69568%0.68SS**  trans-56.1126.2171.7-22.433.7000108.5A37 M41A37-P39 WeakPolarHBondContact O-CD 3.22Å; P39-M41 PolarHBondContact O-N 3.48Å
40Q47.2Very low53.8Low175 Ų175123.5 Ų123.582%0.81867%0.665SS**  trans-50.9109.8-172-174.3174.8-3.100110.2V38V38-Q40 PolarHBondContact O-N 2.94Å
41M49Very low54.5Low142 Ų142120.1 Ų120.170%0.766%0.657SS**  trans-63.7134.8-179.9-76-69.2-66.800108.5P39 T43P39-M41 PolarHBondContact O-N 3.48Å; M41-T43 PolarHBondContact O-N 2.93Å
42P53Low55.9Low112 Ų112117 Ų11773%0.72765%0.648SS**  trans-54.9133.8170.7-23.733.8000109.5G44P42-G44 PolarHBondContact O-N 2.89Å
43T59.9Low56.9Low92 Ų92118.7 Ų118.756%0.56464%0.643SS**  trans-69-2.6-164.5-17.50000114.3M41 M45 E50M41-T43 PolarHBondContact O-N 2.93Å; T43-M45 PolarHBondContact O-N 3.32Å; T43-E50 VanDerWaalsContact CB-OE1 3.26Å; T43-E50 WeakPolarHBondContact CB-OE1 3.44Å; T43-E50 PolarHBondContact OG1-OE1 2.85Å
44G59.3Low57.8Low84 Ų84120.7 Ų120.787%0.86664%0.642SS**SBendtrans73.78.4-178.400000114.1P42P42-G44 PolarHBondContact O-N 2.89Å
45M63.6Low59Low58 Ų58118.5 Ų118.529%0.28663%0.631SS.*SBendtrans-116.2158.3-165.1-155.5177.577.800109.9T43 E49 E50 L55T43-M45 PolarHBondContact O-N 3.32Å; M45-E49 HydrophobicContact CE-CB 3.81Å; M45-E49 HydrophobicContact CE-CG 3.82Å; M45-E49 HydrophobicContact CG-CB 4.13Å; M45-E49 HydrophobicContact CG-CG 4.04Å; M45-E49 WeakPolarHBondContact CG-OE2 3.37Å; M45-E49 HydrophobicContact SD-CB 4.46Å; M45-E49 HydrophobicContact SD-CG 4.01Å; M45-E50 HydrophobicContact CB-CG 4.27Å; M45-E50 HydrophobicContact CE-CB 4.14Å; M45-E50 HydrophobicContact CE-CG 3.58Å; M45-E50 VanDerWaalsContact CE-N 3.26Å; M45-L55 HydrophobicContact CE-CD2 3.18Å; M45-L55 HydrophobicContact SD-CD2 3.81Å
46E64.9Low60.3Low150 Ų150116 Ų11670%0.70162%0.615SS**  trans-75.7144.9-177-66.9-155.6161.300112E48 E49 E50E46-E48 PolarHBondContact O-N 3.14Å; E46-E48 VanDerWaalsContact O-N 3.08Å; E46-E49 WeakPolarHBondContact O-CA 3.41Å; E46-E49 VanDerWaalsContact O-CB 3.28Å; E46-E49 WeakPolarHBondContact O-CB 3.49Å; E46-E49 PolarHBondContact O-N 3.17Å; E46-E50 PolarHBondContact O-N 2.85Å
47K63.5Low61.6Low177 Ų177113.5 Ų113.577%0.7761%0.606SS**THydrogen-bonded Turntrans-61.5-24-171.3-174178.4175.4-1730114.1S51K47-S51 PolarHBondContact O-N 3.34Å
48E64.3Low62.6Low162 Ų162110.5 Ų110.576%0.75758%0.58SS**THydrogen-bonded Turntrans-76.2-39174.4-170.3157.6-138.400111.2E46 S51 E52E46-E48 PolarHBondContact O-N 3.14Å; E46-E48 VanDerWaalsContact O-N 3.08Å; E48-S51 WeakPolarHBondContact O-CA 3.37Å; E48-S51 WeakPolarHBondContact O-CB 3.41Å; E48-S51 PolarHBondContact O-N 2.82Å; E48-S51 PolarHBondContact O-OG 3.25Å; E48-E52 PolarHBondContact O-N 2.97Å
49E62.1Low63.7Low107 Ų107108.4 Ų108.450%0.557%0.565SS.*G310 helixtrans-66.4-41172.5-156174.9-168.900111M45 E46 S51 E52M45-E49 HydrophobicContact CE-CB 3.81Å; M45-E49 HydrophobicContact CE-CG 3.82Å; M45-E49 HydrophobicContact CG-CB 4.13Å; M45-E49 HydrophobicContact CG-CG 4.04Å; M45-E49 WeakPolarHBondContact CG-OE2 3.37Å; M45-E49 HydrophobicContact SD-CB 4.46Å; M45-E49 HydrophobicContact SD-CG 4.01Å; E46-E49 WeakPolarHBondContact O-CA 3.41Å; E46-E49 VanDerWaalsContact O-CB 3.28Å; E46-E49 WeakPolarHBondContact O-CB 3.49Å; E46-E49 PolarHBondContact O-N 3.17Å; E49-S51 PolarHBondContact O-N 3.39Å; E49-S51 VanDerWaalsContact O-N 3.09Å; E49-E52 PolarHBondContact O-N 2.93Å
50E62.8Low64.7Low73 Ų73106.1 Ų106.134%0.34155%0.551SS.*G310 helixtrans-61.7-15.8170.7-66.7-171.4149.600112.9T43 M45 E46 Q56T43-E50 VanDerWaalsContact CB-OE1 3.26Å; T43-E50 WeakPolarHBondContact CB-OE1 3.44Å; T43-E50 PolarHBondContact OG1-OE1 2.85Å; M45-E50 HydrophobicContact CB-CG 4.27Å; M45-E50 HydrophobicContact CE-CB 4.14Å; M45-E50 HydrophobicContact CE-CG 3.58Å; M45-E50 VanDerWaalsContact CE-N 3.26Å; E46-E50 PolarHBondContact O-N 2.85Å; E50-Q56 PolarHBondContact O-NE2 3.24Å
51S67.1Low65.6Low70 Ų7098.7 Ų98.749%0.4952%0.52SS..G310 helixtrans-94.4-4.3175.583.50000114.3K47 E48 E49 H53K47-S51 PolarHBondContact O-N 3.34Å; E48-S51 WeakPolarHBondContact O-CA 3.37Å; E48-S51 WeakPolarHBondContact O-CB 3.41Å; E48-S51 PolarHBondContact O-N 2.82Å; E48-S51 PolarHBondContact O-OG 3.25Å; E49-S51 PolarHBondContact O-N 3.39Å; E49-S51 VanDerWaalsContact O-N 3.09Å; S51-H53 PolarHBondContact O-N 3.01Å
52E78Confident66.3Low97 Ų9798.7 Ų98.745%0.45352%0.518SS..  trans-67.2121.8-179.1-161.3-166.4152.500111.3E48 E49 H54 L55 Q56E48-E52 PolarHBondContact O-N 2.97Å; E49-E52 PolarHBondContact O-N 2.93Å; E52-H54 VanDerWaalsContact C-N 3.27Å; E52-H54 PolarHBondContact O-N 3.19Å; E52-H54 IonicContact OE1-CE1 2.64Å; E52-H54 IonicContact OE1-CG 2.99Å; E52-H54 IonicContact OE1-ND1 3.53Å; E52-H54 PolarHBondContact OE1-ND1 2.91Å; E52-L55 HydrophobicContact CB-CB 4.35Å; E52-L55 PolarHBondContact O-N 3.4Å; E52-L55 VanDerWaalsContact O-N 3.09Å; E52-Q56 PolarHBondContact O-N 3.2Å
53H72.6Confident66.9Low115 Ų115100.3 Ų100.353%0.53252%0.516SS..Hα-helixtrans-54-37.3-179.2171.2-107.4000113.8S51 R57S51-H53 PolarHBondContact O-N 3.01Å; H53-R57 WeakPolarHBondContact O-CB 3.38Å; H53-R57 PolarHBondContact O-N 3.5Å
54H69.9Low67Low126 Ų126101.1 Ų101.158%0.58352%0.521SS*.Hα-helixtrans-68.6-42177.8-58.4122.2000112.3E52 R57 A58E52-H54 VanDerWaalsContact C-N 3.27Å; E52-H54 PolarHBondContact O-N 3.19Å; E52-H54 IonicContact OE1-CE1 2.64Å; E52-H54 IonicContact OE1-CG 2.99Å; E52-H54 IonicContact OE1-ND1 3.53Å; E52-H54 PolarHBondContact OE1-ND1 2.91Å; H54-R57 PolarHBondContact O-N 2.9Å; H54-A58 PolarHBondContact O-N 3.49Å
55L69.6Low66.9Low56 Ų56104.5 Ų104.529%0.29351%0.508SS..Hα-helixtrans-68.1-44.2177.7-176.263.4000111.3M45 E52 R57 A58 I59M45-L55 HydrophobicContact CE-CD2 3.18Å; M45-L55 HydrophobicContact SD-CD2 3.81Å; E52-L55 HydrophobicContact CB-CB 4.35Å; E52-L55 PolarHBondContact O-N 3.4Å; E52-L55 VanDerWaalsContact O-N 3.09Å; L55-R57 VanDerWaalsContact C-N 3.26Å; L55-R57 PolarHBondContact O-N 2.84Å; L55-A58 PolarHBondContact O-N 2.88Å; L55-I59 HydrophobicContact CD1-CD1 4.12Å; L55-I59 HydrophobicContact CD1-CG1 4.33Å; L55-I59 HydrophobicContact CD2-CD1 4.45Å; L55-I59 HydrophobicContact CG-CD1 3.84Å; L55-I59 HydrophobicContact CG-CG1 4.44Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 2.7Å
56Q73.4Confident66.5Low101 Ų101105 Ų10547%0.47253%0.529SS..Hα-helixtrans-60-37.8173.6-69.3-170.6-4.600112E50 E52 S60E50-Q56 PolarHBondContact O-NE2 3.24Å; E52-Q56 PolarHBondContact O-N 3.2Å; Q56-S60 VanDerWaalsContact O-CB 3.27Å; Q56-S60 WeakPolarHBondContact O-CB 3.23Å; Q56-S60 PolarHBondContact O-N 2.79Å; Q56-S60 PolarHBondContact O-OG 2.98Å
57R73.4Confident66Low162 Ų162105.3 Ų105.361%0.61153%0.53SS*.Hα-helixtrans-68.2-38.5175.6-165174.2-163.3168.76.8112.3H53 H54 L55 S60 A61H53-R57 WeakPolarHBondContact O-CB 3.38Å; H53-R57 PolarHBondContact O-N 3.5Å; H54-R57 PolarHBondContact O-N 2.9Å; L55-R57 VanDerWaalsContact C-N 3.26Å; L55-R57 PolarHBondContact O-N 2.84Å; R57-S60 PolarHBondContact O-OG 3.46Å; R57-A61 WeakPolarHBondContact O-CB 3.36Å; R57-A61 PolarHBondContact O-N 2.81Å; R57-A61 VanDerWaalsContact O-N 3.09Å
58A66.6Low65.5Low43 Ų43104.9 Ų104.936%0.35553%0.528SS..Hα-helixtrans-65-51173.200000111.5H54 L55 A61 Q62H54-A58 PolarHBondContact O-N 3.49Å; L55-A58 PolarHBondContact O-N 2.88Å; A58-A61 PolarHBondContact O-N 2.99Å; A58-Q62 WeakPolarHBondContact O-CB 3.26Å; A58-Q62 PolarHBondContact O-N 3.32Å
59I69.7Low65Low68 Ų68104.6 Ų104.635%0.34952%0.52SS..Hα-helixtrans-60.9-49.5-179.8-67.3168.9000111.3L55 Q62 Q63L55-I59 HydrophobicContact CD1-CD1 4.12Å; L55-I59 HydrophobicContact CD1-CG1 4.33Å; L55-I59 HydrophobicContact CD2-CD1 4.45Å; L55-I59 HydrophobicContact CG-CD1 3.84Å; L55-I59 HydrophobicContact CG-CG1 4.44Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 2.7Å; I59-Q62 PolarHBondContact O-N 2.9Å; I59-Q63 WeakPolarHBondContact O-CG 3.29Å; I59-Q63 PolarHBondContact O-N 3.4Å
60S69.4Low64.7Low58 Ų58106.4 Ų106.441%0.40653%0.533SS..Hα-helixtrans-65.3-40.6-179.155.60000112.3Q56 R57 Q63 V64Q56-S60 VanDerWaalsContact O-CB 3.27Å; Q56-S60 WeakPolarHBondContact O-CB 3.23Å; Q56-S60 PolarHBondContact O-N 2.79Å; Q56-S60 PolarHBondContact O-OG 2.98Å; R57-S60 PolarHBondContact O-OG 3.46Å; S60-Q63 PolarHBondContact O-N 3.37Å; S60-V64 WeakPolarHBondContact O-CB 3.25Å; S60-V64 VanDerWaalsContact O-CG2 3.28Å; S60-V64 WeakPolarHBondContact O-CG2 3.22Å; S60-V64 PolarHBondContact O-N 2.93Å
61A65.1Low64.4Low20 Ų20110.6 Ų110.617%0.16556%0.558CS.*Hα-helixtrans-69.9-35.4175.700000112R57 A58 Q63 V64 Y65 M72R57-A61 WeakPolarHBondContact O-CB 3.36Å; R57-A61 PolarHBondContact O-N 2.81Å; R57-A61 VanDerWaalsContact O-N 3.09Å; A58-A61 PolarHBondContact O-N 2.99Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; A61-Q63 PolarHBondContact O-N 3.27Å; A61-V64 PolarHBondContact O-N 3.49Å; A61-Y65 HydrophobicContact CB-CD2 4.28Å; A61-Y65 WeakPolarHBondContact O-CB 3.45Å; A61-Y65 WeakPolarHBondContact O-CD2 3.23Å; A61-Y65 PolarHBondContact O-N 3.19Å; A61-M72 HydrophobicContact CB-CE 3.59Å; A61-M72 HydrophobicContact CB-SD 3.35Å; A61-M72 WeakPolarHBondContact CB-SD 3.42Å; A61-M72 VanDerWaalsContact O-CE 3.28Å; A61-M72 WeakPolarHBondContact O-CE 3.37Å
62Q63.9Low63.8Low142 Ų142110.7 Ų110.766%0.66455%0.552SS**Hα-helixtrans-62.9-39172.9-172.1175.911.600111.9A58 I59A58-Q62 WeakPolarHBondContact O-CB 3.26Å; A58-Q62 PolarHBondContact O-N 3.32Å; I59-Q62 PolarHBondContact O-N 2.9Å
63Q66.3Low63.3Low146 Ų146110.8 Ų110.868%0.68256%0.558SS**Hα-helixtrans-67.8-34.6173.1-72.6175.9-2.800113.2I59 S60 A61I59-Q63 WeakPolarHBondContact O-CG 3.29Å; I59-Q63 PolarHBondContact O-N 3.4Å; S60-Q63 PolarHBondContact O-N 3.37Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; A61-Q63 PolarHBondContact O-N 3.27Å
64V60.7Low63.3Low108 Ų108112.4 Ų112.466%0.65557%0.569SS**Hα-helixtrans-82.7-37.1-177168.10000113.3S60 A61S60-V64 WeakPolarHBondContact O-CB 3.25Å; S60-V64 VanDerWaalsContact O-CG2 3.28Å; S60-V64 WeakPolarHBondContact O-CG2 3.22Å; S60-V64 PolarHBondContact O-N 2.93Å; A61-V64 PolarHBondContact O-N 3.49Å
65Y58.3Low63.7Low156 Ų156111.9 Ų111.961%0.61258%0.577SS**Hα-helixtrans-97.6-11.1-169.1-75.9-76.4000115.9A61 E67 M72A61-Y65 HydrophobicContact CB-CD2 4.28Å; A61-Y65 WeakPolarHBondContact O-CB 3.45Å; A61-Y65 WeakPolarHBondContact O-CD2 3.23Å; A61-Y65 PolarHBondContact O-N 3.19Å; Y65-E67 PolarHBondContact O-N 2.96Å; Y65-M72 HydrophobicContact CD2-CE 4.06Å; Y65-M72 HydrophobicContact CG-CE 4.36Å
66G54.2Low64.2Low69 Ų69115.1 Ų115.171%0.71160%0.599SS**THydrogen-bonded Turntrans64.9-42.115800000119.4
67E54.7Low64.7Low155 Ų155115.8 Ų115.872%0.72461%0.612SS**THydrogen-bonded Turntrans-147.3-29.1-162.3-164.8168-147.500113.7Y65 R69Y65-E67 PolarHBondContact O-N 2.96Å; E67-R69 PolarHBondContact O-N 2.75Å
68K53.5Low65.1Low168 Ų168117.2 Ų117.273%0.7363%0.626SS**  trans-81.881.7176.5-70.6-168176.1-1740111.6
69R54.4Low65.9Low157 Ų157119.7 Ų119.759%0.59265%0.646SS**  trans-68.1-37.6-173.2-61.5179.5-174.184.24.2113.7E67 N71 M72 V73E67-R69 PolarHBondContact O-N 2.75Å; R69-N71 VanDerWaalsContact C-N 3.31Å; R69-N71 PolarHBondContact O-N 3.45Å; R69-N71 VanDerWaalsContact O-N 3.15Å; R69-M72 PolarHBondContact O-N 2.81Å; R69-V73 PolarHBondContact O-N 3.2Å
70D56.2Low66.5Low145 Ų145125.1 Ų125.178%0.77567%0.67SS**THydrogen-bonded Turntrans-59.1-34.7-163.5-49.4-19.1000114.6M72D70-M72 PolarHBondContact O-N 2.95Å
71N55.4Low66.8Low160 Ų160126.7 Ų126.786%0.85668%0.681SS**THydrogen-bonded Turntrans-82.34.6-178.3-68.42.3000113.9R69R69-N71 VanDerWaalsContact C-N 3.31Å; R69-N71 PolarHBondContact O-N 3.45Å; R69-N71 VanDerWaalsContact O-N 3.15Å
72M54.2Low67.3Low73 Ų73133 Ų13336%0.3671%0.712SS.*THydrogen-bonded Turntrans-140.10.1-168.9-150.5111.665.900114.5A61 Y65 R69 D70A61-M72 HydrophobicContact CB-CE 3.59Å; A61-M72 HydrophobicContact CB-SD 3.35Å; A61-M72 WeakPolarHBondContact CB-SD 3.42Å; A61-M72 VanDerWaalsContact O-CE 3.28Å; A61-M72 WeakPolarHBondContact O-CE 3.37Å; Y65-M72 HydrophobicContact CD2-CE 4.06Å; Y65-M72 HydrophobicContact CG-CE 4.36Å; R69-M72 PolarHBondContact O-N 2.81Å; D70-M72 PolarHBondContact O-N 2.95Å
73V68.5Low68.4Low99 Ų99130.1 Ų130.160%0.670%0.7SS**SBendtrans-68.5132.5171.31680000108.7R69 P75R69-V73 PolarHBondContact O-N 3.2Å; V73-P75 WeakPolarHBondContact O-CD 3.46Å
74I71.5Confident69.4Low148 Ų148128.2 Ų128.276%0.75971%0.71SS**  trans-58.6120168.8-61.5172.8000106.8V76I74-V76 PolarHBondContact O-N 3.45Å
75P78.3Confident70.8Confident116 Ų116130.1 Ų130.175%0.75371%0.706SS**  trans-66.3104.6-174.225.8-33.7000109.9V73 P77V73-P75 WeakPolarHBondContact O-CD 3.46Å; P75-P77 WeakPolarHBondContact O-CD 3.41Å
76V81Confident72.3Confident123 Ų123128.4 Ų128.475%0.74570%0.699SS**PPolyproline II helixtrans-79119.1171.4-1780000107.2I74 E78I74-V76 PolarHBondContact O-N 3.45Å; V76-E78 PolarHBondContact O-N 2.93Å
77P84.3Confident74Confident115 Ų115132.2 Ų132.275%0.74770%0.699SS**PPolyproline II helixtrans-60.7136.9174.8-22.134.2000110.7P75 A79P75-P77 WeakPolarHBondContact O-CD 3.41Å; P77-A79 PolarHBondContact O-N 3.32Å
78E82.1Confident75.7Confident193 Ų193129.4 Ų129.490%0.90270%0.696SS**PPolyproline II helixtrans-65.2128.3172.8-65.6-173.6178.100109.6V76 E80V76-E78 PolarHBondContact O-N 2.93Å; E78-E80 PolarHBondContact O-N 2.95Å
79A83.3Confident77.5Confident94 Ų94125.8 Ų125.878%0.77768%0.684SS**  trans-82.8104.3179.200000109.9P77 S81P77-A79 PolarHBondContact O-N 3.32Å; A79-S81 PolarHBondContact O-N 3.41Å
80E80.8Confident79.1Confident182 Ų182125.1 Ų125.185%0.8568%0.682SS**  trans-55.2135.3169.6-68.6-174.3-171.300110.5E78E78-E80 PolarHBondContact O-N 2.95Å
81S77Confident80.6Confident91 Ų91122.3 Ų122.364%0.63667%0.672SS**  trans-140.2156.4-177.657.20000110.9A79A79-S81 PolarHBondContact O-N 3.41Å
82N74.8Confident81.9Confident153 Ų153118.5 Ų118.582%0.81867%0.671SS**  trans67.151.5-177.6-44.2-72.8000114.2A84N82-A84 PolarHBondContact O-N 2.75Å; N82-A84 VanDerWaalsContact O-N 3.09Å
83I87.5Confident83.6Confident81 Ų81122.7 Ų122.742%0.41569%0.689SS.*  trans-61.1109.5169.3-62.4174.2000109.1Y85 Y86I83-Y85 HydrophobicContact CG2-CD1 3.72Å; I83-Y85 HydrophobicContact CG2-CD2 3.76Å; I83-Y85 HydrophobicContact CG2-CE1 3.43Å; I83-Y85 VanDerWaalsContact CG2-CE1 3.43Å; I83-Y85 HydrophobicContact CG2-CE2 3.48Å; I83-Y85 VanDerWaalsContact CG2-CE2 3.48Å; I83-Y85 HydrophobicContact CG2-CG 3.88Å; I83-Y85 PolarHBondContact O-N 3.4Å; I83-Y85 VanDerWaalsContact O-N 3.08Å; I83-Y86 WeakPolarHBondContact O-CB 3.34Å; I83-Y86 PolarHBondContact O-N 3.44Å
84A87.9Confident84.6Confident107 Ų107125 Ų12588%0.88469%0.692SS**THydrogen-bonded Turntrans-61.3-23.7-168.900000115.1N82N82-A84 PolarHBondContact O-N 2.75Å; N82-A84 VanDerWaalsContact O-N 3.09Å
85Y89.3Confident85.5Confident148 Ų148125.4 Ų125.458%0.5869%0.688SS**THydrogen-bonded Turntrans-91.5-3.7177.559.7-103.5000114I83 E87 S88 I89I83-Y85 HydrophobicContact CG2-CD1 3.72Å; I83-Y85 HydrophobicContact CG2-CD2 3.76Å; I83-Y85 HydrophobicContact CG2-CE1 3.43Å; I83-Y85 VanDerWaalsContact CG2-CE1 3.43Å; I83-Y85 HydrophobicContact CG2-CE2 3.48Å; I83-Y85 VanDerWaalsContact CG2-CE2 3.48Å; I83-Y85 HydrophobicContact CG2-CG 3.88Å; I83-Y85 PolarHBondContact O-N 3.4Å; I83-Y85 VanDerWaalsContact O-N 3.08Å; Y85-E87 PolarHBondContact O-N 3.11Å; Y85-S88 WeakPolarHBondContact O-CB 3.36Å; Y85-S88 PolarHBondContact O-N 3.22Å; Y85-S88 PolarHBondContact O-OG 3.46Å; Y85-I89 HydrophobicContact CD2-CD1 3.51Å; Y85-I89 HydrophobicContact CD2-CG1 4.23Å; Y85-I89 HydrophobicContact CE2-CD1 3.86Å; Y85-I89 PolarHBondContact O-N 3.42Å
86Y89.9Confident86Confident119 Ų119127.8 Ų127.847%0.46769%0.691SS.*Hα-helixtrans-54.5-51.5-172.5179.1-98.9000113.3I83 S88 I89 Y90I83-Y86 WeakPolarHBondContact O-CB 3.34Å; I83-Y86 PolarHBondContact O-N 3.44Å; Y86-S88 PolarHBondContact O-N 3.08Å; Y86-S88 VanDerWaalsContact O-N 3.11Å; Y86-I89 PolarHBondContact O-N 3.43Å; Y86-Y90 AromaticContact CD2-CD2 3.59Å; Y86-Y90 HydrophobicContact CD2-CD2 3.59Å; Y86-Y90 HydrophobicContact CD2-CE2 4.2Å; Y86-Y90 AromaticContact CE2-CD2 3.46Å; Y86-Y90 HydrophobicContact CE2-CD2 3.46Å; Y86-Y90 VanDerWaalsContact CE2-CD2 3.46Å; Y86-Y90 HydrophobicContact CE2-CE2 4.12Å; Y86-Y90 HydrophobicContact CE2-CG 4.05Å; Y86-Y90 HydrophobicContact CG-CD2 4.4Å; Y86-Y90 PolarHBondContact O-N 2.99Å
87E89.4Confident86.5Confident150 Ų150125.2 Ų125.270%0.70168%0.677SS**Hα-helixtrans-62.2-18.7179.5-59.9-64153.200113.5Y85Y85-E87 PolarHBondContact O-N 3.11Å
88S90.5Very high86.9Confident96 Ų96128.5 Ų128.567%0.67168%0.679SS**Hα-helixtrans-87.3-19.6176.7720000113.9Y85 Y86Y85-S88 WeakPolarHBondContact O-CB 3.36Å; Y85-S88 PolarHBondContact O-N 3.22Å; Y85-S88 PolarHBondContact O-OG 3.46Å; Y86-S88 PolarHBondContact O-N 3.08Å; Y86-S88 VanDerWaalsContact O-N 3.11Å
89I90.8Very high87.4Confident92 Ų92127.2 Ų127.247%0.47267%0.673SS.*Hα-helixtrans-100.4-34.9178.5-58.9-174.4000111.2Y85 Y86 P91Y85-I89 HydrophobicContact CD2-CD1 3.51Å; Y85-I89 HydrophobicContact CD2-CG1 4.23Å; Y85-I89 HydrophobicContact CE2-CD1 3.86Å; Y85-I89 PolarHBondContact O-N 3.42Å; Y86-I89 PolarHBondContact O-N 3.43Å; I89-P91 VanDerWaalsContact C-CD 3.45Å; I89-P91 WeakPolarHBondContact O-CD 3.47Å
90Y89.2Confident87.8Confident143 Ų143131 Ų13156%0.56168%0.679SS**SBendtrans-117.971.4-173.3-62.1-72.1000112.5Y86 G92Y86-Y90 AromaticContact CD2-CD2 3.59Å; Y86-Y90 HydrophobicContact CD2-CD2 3.59Å; Y86-Y90 HydrophobicContact CD2-CE2 4.2Å; Y86-Y90 AromaticContact CE2-CD2 3.46Å; Y86-Y90 HydrophobicContact CE2-CD2 3.46Å; Y86-Y90 VanDerWaalsContact CE2-CD2 3.46Å; Y86-Y90 HydrophobicContact CE2-CE2 4.12Å; Y86-Y90 HydrophobicContact CE2-CG 4.05Å; Y86-Y90 HydrophobicContact CG-CD2 4.4Å; Y86-Y90 PolarHBondContact O-N 2.99Å; Y90-G92 PolarHBondContact O-N 3.37Å
91P86.1Confident88.2Confident85 Ų85127.4 Ų127.455%0.55267%0.665SS**  trans-63.9127.7178.727.5-34.8000111.4I89 E93I89-P91 VanDerWaalsContact C-CD 3.45Å; I89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-E93 HydrophobicContact CB-CG 4.36Å; P91-E93 PolarHBondContact O-N 3.35Å
92G83.9Confident88.6Confident81 Ų81131 Ų13184%0.83567%0.671SS**  trans-72.646.9-173.100000116.3Y90 F94Y90-G92 PolarHBondContact O-N 3.37Å; G92-F94 VanDerWaalsContact C-N 3.33Å; G92-F94 PolarHBondContact O-N 3.35Å
93E89Confident88.9Confident161 Ų161129.5 Ų129.575%0.75266%0.662SS**  trans-78.6-10.4-174-58.4-156.5159.800115.1P91 K95P91-E93 HydrophobicContact CB-CG 4.36Å; P91-E93 PolarHBondContact O-N 3.35Å; E93-K95 PolarHBondContact O-N 3.42Å
94F89.3Confident88.1Confident148 Ų148131.9 Ų131.965%0.64967%0.672SS**  trans-62.8125.9-174.8175.7-101.7000112.9G92 M96 I101G92-F94 VanDerWaalsContact C-N 3.33Å; G92-F94 PolarHBondContact O-N 3.35Å; F94-M96 HydrophobicContact CE1-CB 4.18Å; F94-I101 HydrophobicContact CE2-CD1 4.4Å; F94-I101 HydrophobicContact CZ-CD1 3.97Å
95K90.7Very high86.9Confident156 Ų156132.3 Ų132.368%0.67867%0.665SS**  trans-109.9107.8178.8-71166.7-170.8166.20110E93 P97E93-K95 PolarHBondContact O-N 3.42Å; K95-P97 VanDerWaalsContact O-CD 3.3Å; K95-P97 WeakPolarHBondContact O-CD 3.19Å
96M88.6Confident85.2Confident166 Ų166131.9 Ų131.982%0.81867%0.666SS**  trans-52.9118.7-179.1-175174.167.900112F94F94-M96 HydrophobicContact CE1-CB 4.18Å
97P91.8Very high83.6Confident68 Ų68130.8 Ų130.844%0.44268%0.677SS.*  trans-67.1159.3175.9-21.133.9000112.7K95 Q99K95-P97 VanDerWaalsContact O-CD 3.3Å; K95-P97 WeakPolarHBondContact O-CD 3.19Å; P97-Q99 PolarHBondContact O-N 3.35Å
98K93Very high81.8Confident184 Ų184128.6 Ų128.680%0.867%0.669SS**SBendtrans-75.3-4.9175.1-62.2-175.1-176.9178.30114.3S705K98-S705 PolarHBondContact NZ-OG 2.6Å
99Q93.1Very high80.1Confident167 Ų167130.6 Ų130.678%0.7867%0.672SS**SBendtrans-128.4157.6-178.9-70179-31.900108.2P97P97-Q99 PolarHBondContact O-N 3.35Å
100L92.1Very high78.6Confident173 Ų173130.6 Ų130.691%0.90669%0.686SS**  trans-59.2142.7175.2-61.8176.7000110.5H102L100-H102 PolarHBondContact O-N 3.05Å
101I88.2Confident77.4Confident107 Ų107132.2 Ų132.255%0.54970%0.699SS.*  trans-69.4105.7178-53.6176.1000108.1F94 I103F94-I101 HydrophobicContact CE2-CD1 4.4Å; F94-I101 HydrophobicContact CZ-CD1 3.97Å; I101-I103 VanDerWaalsContact C-N 3.35Å; I101-I103 HydrophobicContact CG2-CG1 3.86Å; I101-I103 PolarHBondContact O-N 2.58Å
102H85.5Confident77.3Confident165 Ų165134.3 Ų134.376%0.76470%0.701SS**  trans-77.188.4171.7-178.3-78.1000109.3L100 Q104L100-H102 PolarHBondContact O-N 3.05Å; H102-Q104 VanDerWaalsContact C-N 3.34Å; H102-Q104 PolarHBondContact O-N 2.9Å
103I80.8Confident77.6Confident123 Ų123131.1 Ų131.163%0.63167%0.666SS**  trans-69.391.9175.7-54.8175.8000108.7I101 F106I101-I103 VanDerWaalsContact C-N 3.35Å; I101-I103 HydrophobicContact CG2-CG1 3.86Å; I101-I103 PolarHBondContact O-N 2.58Å; I103-F106 HydrophobicContact CG2-CE2 4.25Å
104Q70.1Confident77.6Confident131 Ų131127.6 Ų127.661%0.61265%0.652SS**  trans-72.2135.7154.1-177.2169.1-5.100107.2H102 F106H102-Q104 VanDerWaalsContact C-N 3.34Å; H102-Q104 PolarHBondContact O-N 2.9Å; Q104-F106 PolarHBondContact O-N 3.02Å
105P64Low77.8Confident115 Ų115121.1 Ų121.175%0.74762%0.623SS**  trans-54.3114.7174.6-26.835.6000109.9
106F52.8Low77.9Confident139 Ų139119.3 Ų119.361%0.6162%0.621SS**  trans-73.3135.7-175.5-66.6-86.4000109.8I103 Q104 L108I103-F106 HydrophobicContact CG2-CE2 4.25Å; Q104-F106 PolarHBondContact O-N 3.02Å; F106-L108 HydrophobicContact CB-CB 4.28Å; F106-L108 HydrophobicContact CB-CD1 3.74Å; F106-L108 HydrophobicContact CB-CG 3.87Å; F106-L108 HydrophobicContact CD1-CD1 4.34Å; F106-L108 HydrophobicContact CG-CD1 4Å; F106-L108 HydrophobicContact CG-CG 4.49Å; F106-L108 PolarHBondContact O-N 3.1Å
107S56Low78.2Confident97 Ų97113.5 Ų113.568%0.67859%0.593SS**  trans-87.248.3167.1-52.10000110.4D109S107-D109 VanDerWaalsContact C-N 3.29Å
108L52.2Low78.3Confident104 Ų104113.4 Ų113.455%0.54559%0.589SS.*G310 helixtrans-69.1-29.9-177.5-90162.9000111.9F106 A110 E111F106-L108 HydrophobicContact CB-CB 4.28Å; F106-L108 HydrophobicContact CB-CD1 3.74Å; F106-L108 HydrophobicContact CB-CG 3.87Å; F106-L108 HydrophobicContact CD1-CD1 4.34Å; F106-L108 HydrophobicContact CG-CD1 4Å; F106-L108 HydrophobicContact CG-CG 4.49Å; F106-L108 PolarHBondContact O-N 3.1Å; L108-A110 PolarHBondContact O-N 2.93Å; L108-E111 PolarHBondContact O-N 3.21Å
109D56.1Low78.4Confident138 Ų138109 Ų10974%0.73858%0.581SS**G310 helixtrans-53.30.5174.3-41.510.2000115.1S107S107-D109 VanDerWaalsContact C-N 3.29Å
110A57.8Low78.4Confident92 Ų92105.4 Ų105.476%0.7656%0.564SS**G310 helixtrans-118.3-6.8-178.900000114.2L108L108-A110 PolarHBondContact O-N 2.93Å
111E65.3Low78.6Confident177 Ų17797.1 Ų97.183%0.82752%0.521SS*.THydrogen-bonded Turntrans-116.1-18-178.9-166.9164.4-157.500113.2L108L108-E111 PolarHBondContact O-N 3.21Å
112Q83Confident78.9Confident129 Ų12997.1 Ų97.160%0.60352%0.519SS*.SBendtrans-106.7144.6170.9-171.1172.8-20.200110.4
113P89.8Confident79.4Confident14 Ų1494.2 Ų94.29%0.09151%0.512CS..  trans-60.7152.3169.3-23.235.2000112.5Y115 L137 E140 E141 D144P113-Y115 PolarHBondContact O-N 3.49Å; P113-L137 HydrophobicContact CG-CD1 3.98Å; P113-E140 HydrophobicContact CB-CB 4.11Å; P113-E140 HydrophobicContact CG-CB 3.96Å; P113-E141 HydrophobicContact CG-CG 3.87Å; P113-D144 HydrophobicContact CB-CB 3.94Å
114D90.1Very high80Confident86 Ų8689.5 Ų89.546%0.4649%0.487SS..SBendtrans-842.1170.4-64.5-48.3000112D144 K148 I191D114-D144 WeakPolarHBondContact CB-OD1 3.34Å; D114-D144 PolarHBondContact N-OD1 3.29Å; D114-K148 WeakPolarHBondContact OD2-CE 3.38Å; D114-K148 IonicContact OD2-NZ 3.64Å; D114-K148 PolarHBondContact OD2-NZ 3.05Å; D114-I191 HydrophobicContact CB-CD1 4.03Å; D114-I191 WeakPolarHBondContact O-CD1 3.47Å
115Y92.8Very high81.2Confident13 Ų1383.7 Ų83.75%0.05146%0.46CS..  trans-112.3109-178.2-167.2-95.9000111P113 D121 E140 I143 K181 L190 I191P113-Y115 PolarHBondContact O-N 3.49Å; Y115-D121 PolarHBondContact OH-OD2 2.89Å; Y115-E140 VanDerWaalsContact O-CB 3.32Å; Y115-E140 WeakPolarHBondContact O-CB 3.23Å; Y115-E140 VanDerWaalsContact O-CG 3.3Å; Y115-E140 WeakPolarHBondContact O-CG 3.33Å; Y115-I143 HydrophobicContact CD1-CB 3.73Å; Y115-I143 HydrophobicContact CD1-CG1 4.34Å; Y115-I143 HydrophobicContact CD1-CG2 3.57Å; Y115-I143 HydrophobicContact CD2-CG2 3.78Å; Y115-I143 HydrophobicContact CE1-CB 4.05Å; Y115-I143 HydrophobicContact CE1-CG1 4.27Å; Y115-I143 HydrophobicContact CE1-CG2 3.63Å; Y115-I143 HydrophobicContact CE2-CG2 3.89Å; Y115-I143 HydrophobicContact CG-CB 4.1Å; Y115-I143 HydrophobicContact CG-CG2 3.64Å; Y115-K181 PolarHBondContact OH-NZ 2.93Å; Y115-L190 HydrophobicContact CE2-CB 3.79Å; Y115-L190 HydrophobicContact CE2-CD1 4.32Å; Y115-I191 HydrophobicContact CD2-CD1 4.38Å; Y115-I191 HydrophobicContact CD2-CG1 3.78Å; Y115-I191 HydrophobicContact CE2-CG1 4.49Å
116D93.3Very high82.6Confident117 Ų11783 Ų8363%0.62645%0.45SS*.  trans-84.6142167.5-56-58.7000110.5
117L94.1Very high84.5Confident44 Ų4482.8 Ų82.823%0.2345%0.449CS..  trans-59.7136.6171.1-71.2150.6000113D121 V125 P136 F139 E140L117-D121 HydrophobicContact CB-CB 4.33Å; L117-D121 HydrophobicContact CD2-CB 3.43Å; L117-D121 VanDerWaalsContact CD2-CB 3.43Å; L117-D121 HydrophobicContact CG-CB 4.47Å; L117-V125 HydrophobicContact CD2-CG2 4.08Å; L117-P136 HydrophobicContact CD1-CB 3.56Å; L117-F139 HydrophobicContact CD2-CD1 3.35Å; L117-F139 HydrophobicContact CD2-CE1 3.74Å; L117-F139 HydrophobicContact CD2-CG 4.28Å; L117-F139 HydrophobicContact CG-CD1 4.44Å; L117-E140 HydrophobicContact CD1-CG 3.91Å; L117-E140 VanDerWaalsContact CD1-OE1 3.32Å; L117-E140 WeakPolarHBondContact CD1-OE1 3.35Å; L117-E140 HydrophobicContact CD2-CG 4.41Å; L117-E140 HydrophobicContact CG-CG 3.63Å; L117-E140 WeakPolarHBondContact CG-OE1 3.45Å; L117-E140 PolarHBondContact N-OE1 2.82Å
118D93.8Very high86.2Confident67 Ų6778.2 Ų78.236%0.35842%0.417SS..  trans-101.1174.4163.575.929.2000113.4E120 D121 E122 K181D118-E120 PolarHBondContact O-N 3.49Å; D118-E120 WeakPolarHBondContact OD1-CA 3.1Å; D118-E120 WeakPolarHBondContact OD1-CB 3.18Å; D118-E120 PolarHBondContact OD1-N 2.9Å; D118-D121 PolarHBondContact N-OD2 3.05Å; D118-D121 CarbonylContact O-C 3.6Å; D118-D121 WeakPolarHBondContact O-CA 3.46Å; D118-D121 WeakPolarHBondContact O-CB 3.16Å; D118-D121 PolarHBondContact O-N 3.42Å; D118-D121 PolarHBondContact OD1-N 3.43Å; D118-E122 PolarHBondContact O-N 3.12Å; D118-K181 IonicContact OD1-NZ 2.8Å; D118-K181 PolarHBondContact OD1-NZ 3.41Å; D118-K181 WeakPolarHBondContact OD2-CE 3.49Å; D118-K181 IonicContact OD2-NZ 3.05Å; D118-K181 PolarHBondContact OD2-NZ 3.13Å
119S94.8Very high88Confident90 Ų9077.8 Ų77.863%0.62941%0.411SS*.Hα-helixtrans-68.5-13.7-178.3-49.60000114.9V123S119-V123 WeakPolarHBondContact O-CG2 3.5Å
120E94.7Very high89.7Confident92 Ų9280 Ų8043%0.4341%0.414SS..Hα-helixtrans-78.4-39.5166-165.7-176.3159.800109.8D118 V123 F124 Y177 K180D118-E120 PolarHBondContact O-N 3.49Å; D118-E120 WeakPolarHBondContact OD1-CA 3.1Å; D118-E120 WeakPolarHBondContact OD1-CB 3.18Å; D118-E120 PolarHBondContact OD1-N 2.9Å; E120-V123 PolarHBondContact O-N 2.98Å; E120-F124 PolarHBondContact O-N 2.9Å; E120-Y177 HydrophobicContact CG-CE2 4.33Å; E120-Y177 WeakPolarHBondContact CG-OH 3.36Å; E120-K180 IonicContact OE1-NZ 2.74Å
121D95.6Very high91.1Very high0 Ų081.9 Ų81.90%041%0.405CS..Hα-helixtrans-64.1-45175-57.1-49.3000111.9Y115 L117 D118 V123 F124 V125 F139 Y177 K181Y115-D121 PolarHBondContact OH-OD2 2.89Å; L117-D121 HydrophobicContact CB-CB 4.33Å; L117-D121 HydrophobicContact CD2-CB 3.43Å; L117-D121 VanDerWaalsContact CD2-CB 3.43Å; L117-D121 HydrophobicContact CG-CB 4.47Å; D118-D121 PolarHBondContact N-OD2 3.05Å; D118-D121 CarbonylContact O-C 3.6Å; D118-D121 WeakPolarHBondContact O-CA 3.46Å; D118-D121 WeakPolarHBondContact O-CB 3.16Å; D118-D121 PolarHBondContact O-N 3.42Å; D118-D121 PolarHBondContact OD1-N 3.43Å; D121-V123 PolarHBondContact O-N 3.42Å; D121-F124 CarbonylContact O-C 3.52Å; D121-F124 WeakPolarHBondContact O-CA 3.32Å; D121-F124 WeakPolarHBondContact O-CB 3.3Å; D121-F124 PolarHBondContact O-N 2.89Å; D121-V125 WeakPolarHBondContact O-CB 3.4Å; D121-V125 WeakPolarHBondContact O-CG2 3.3Å; D121-V125 PolarHBondContact O-N 3.15Å; D121-F139 HydrophobicContact CB-CE1 3.75Å; D121-F139 HydrophobicContact CB-CZ 4.25Å; D121-Y177 WeakPolarHBondContact OD1-CE1 3.38Å; D121-Y177 PolarHBondContact OD1-OH 3.08Å; D121-Y177 VanDerWaalsContact OD1-OH 3.11Å; D121-K181 IonicContact OD1-NZ 2.7Å; D121-K181 PolarHBondContact OD1-NZ 2.98Å; D121-K181 IonicContact OD2-NZ 2.72Å; D121-K181 PolarHBondContact OD2-NZ 3.04Å
122E94.6Very high92.2Very high107 Ų10775.8 Ų75.850%0.538%0.377SS..Hα-helixtrans-54.1-43.2177-73.4-170.3146.800111.4D118 N126D118-E122 PolarHBondContact O-N 3.12Å; E122-N126 WeakPolarHBondContact O-CB 3.44Å; E122-N126 PolarHBondContact O-N 3.17Å; E122-N126 PolarHBondContact O-ND2 3.09Å
123V95.2Very high92.4Very high103 Ų10375.9 Ų75.962%0.62438%0.382SS*.Hα-helixtrans-69.7-36.8178173.40000111.2S119 E120 D121 K127S119-V123 WeakPolarHBondContact O-CG2 3.5Å; E120-V123 PolarHBondContact O-N 2.98Å; D121-V123 PolarHBondContact O-N 3.42Å; V123-K127 VanDerWaalsContact O-CB 3.32Å; V123-K127 WeakPolarHBondContact O-CB 3.47Å; V123-K127 PolarHBondContact O-N 3.26Å
124F94.8Very high92.4Very high25 Ų2575.2 Ų75.211%0.1138%0.377CS..Hα-helixtrans-66.4-51.4174.2176.5-100.4000112.1E120 D121 N126 K127 L128 F139 E173 V174 Y177E120-F124 PolarHBondContact O-N 2.9Å; D121-F124 CarbonylContact O-C 3.52Å; D121-F124 WeakPolarHBondContact O-CA 3.32Å; D121-F124 WeakPolarHBondContact O-CB 3.3Å; D121-F124 PolarHBondContact O-N 2.89Å; F124-N126 PolarHBondContact O-N 3.17Å; F124-K127 CarbonylContact O-C 3.47Å; F124-K127 WeakPolarHBondContact O-CA 3.35Å; F124-K127 WeakPolarHBondContact O-CB 3.27Å; F124-K127 PolarHBondContact O-N 2.77Å; F124-L128 HydrophobicContact CE1-CD2 3.67Å; F124-L128 HydrophobicContact CZ-CD2 3.91Å; F124-L128 WeakPolarHBondContact O-CB 3.47Å; F124-L128 PolarHBondContact O-N 3.08Å; F124-F139 HydrophobicContact CD1-CD2 4.4Å; F124-F139 AromaticContact CD1-CE2 3.63Å; F124-F139 HydrophobicContact CD1-CE2 3.63Å; F124-F139 HydrophobicContact CD1-CZ 4.12Å; F124-F139 HydrophobicContact CE1-CD2 4.31Å; F124-F139 AromaticContact CE1-CE2 3.64Å; F124-F139 HydrophobicContact CE1-CE2 3.64Å; F124-F139 HydrophobicContact CE1-CZ 4.49Å; F124-E173 HydrophobicContact CE2-CG 4.14Å; F124-E173 HydrophobicContact CZ-CG 3.91Å; F124-V174 HydrophobicContact CE1-CG2 4.43Å; F124-Y177 HydrophobicContact CB-CD2 4.14Å; F124-Y177 HydrophobicContact CB-CE2 3.89Å; F124-Y177 HydrophobicContact CD1-CD1 4.07Å; F124-Y177 HydrophobicContact CD1-CD2 4.29Å; F124-Y177 HydrophobicContact CD1-CE1 4.48Å; F124-Y177 AromaticContact CD1-CG 3.99Å; F124-Y177 HydrophobicContact CD1-CG 3.99Å; F124-Y177 AromaticContact CD2-CD2 3.46Å; F124-Y177 HydrophobicContact CD2-CD2 3.46Å; F124-Y177 VanDerWaalsContact CD2-CD2 3.46Å; F124-Y177 HydrophobicContact CD2-CE2 4.09Å; F124-Y177 AromaticContact CD2-CG 3.79Å; F124-Y177 HydrophobicContact CD2-CG 3.79Å; F124-Y177 HydrophobicContact CE1-CD1 4.27Å; F124-Y177 HydrophobicContact CE1-CG 4.06Å; F124-Y177 AromaticContact CE2-CD2 3.9Å; F124-Y177 HydrophobicContact CE2-CD2 3.9Å; F124-Y177 AromaticContact CE2-CG 3.86Å; F124-Y177 HydrophobicContact CE2-CG 3.86Å; F124-Y177 HydrophobicContact CG-CD1 4.25Å; F124-Y177 AromaticContact CG-CD2 3.69Å; F124-Y177 HydrophobicContact CG-CD2 3.69Å; F124-Y177 AromaticContact CG-CE2 3.97Å; F124-Y177 HydrophobicContact CG-CE2 3.97Å; F124-Y177 AromaticContact CG-CG 3.85Å; F124-Y177 HydrophobicContact CG-CG 3.85Å; F124-Y177 HydrophobicContact CZ-CD2 4.47Å; F124-Y177 AromaticContact CZ-CG 3.98Å; F124-Y177 HydrophobicContact CZ-CG 3.98Å
125V94.2Very high92.4Very high8 Ų874.2 Ų74.25%0.04838%0.377CS..Hα-helixtrans-61.8-44.4179.1173.70000110.8L117 D121 K127 L128 K129 I134 F139L117-V125 HydrophobicContact CD2-CG2 4.08Å; D121-V125 WeakPolarHBondContact O-CB 3.4Å; D121-V125 WeakPolarHBondContact O-CG2 3.3Å; D121-V125 PolarHBondContact O-N 3.15Å; V125-K127 PolarHBondContact O-N 2.97Å; V125-L128 PolarHBondContact O-N 3.36Å; V125-K129 WeakPolarHBondContact O-CB 3.35Å; V125-K129 PolarHBondContact O-N 3.27Å; V125-I134 HydrophobicContact CG1-CG2 4.3Å; V125-F139 HydrophobicContact CG2-CB 3.98Å; V125-F139 HydrophobicContact CG2-CD1 3.98Å; V125-F139 HydrophobicContact CG2-CD2 3.78Å; V125-F139 HydrophobicContact CG2-CE1 4.36Å; V125-F139 HydrophobicContact CG2-CE2 4.21Å; V125-F139 HydrophobicContact CG2-CG 3.63Å; V125-F139 HydrophobicContact CG2-CZ 4.46Å
126N93.4Very high92.4Very high100 Ų10076.6 Ų76.654%0.53539%0.394SS..Hα-helixtrans-66.2-19.8175.1-80-66000114E122 F124 K130E122-N126 WeakPolarHBondContact O-CB 3.44Å; E122-N126 PolarHBondContact O-N 3.17Å; E122-N126 PolarHBondContact O-ND2 3.09Å; F124-N126 PolarHBondContact O-N 3.17Å; N126-K130 WeakPolarHBondContact O-CE 3.18Å
127K93.3Very high92.3Very high135 Ų13575 Ų7559%0.58738%0.384SS*.Hα-helixtrans-84.8-42.6171.5-179.3-174.8175.2-170.80111.4V123 F124 V125 K130V123-K127 VanDerWaalsContact O-CB 3.32Å; V123-K127 WeakPolarHBondContact O-CB 3.47Å; V123-K127 PolarHBondContact O-N 3.26Å; F124-K127 CarbonylContact O-C 3.47Å; F124-K127 WeakPolarHBondContact O-CA 3.35Å; F124-K127 WeakPolarHBondContact O-CB 3.27Å; F124-K127 PolarHBondContact O-N 2.77Å; V125-K127 PolarHBondContact O-N 2.97Å; K127-K130 PolarHBondContact O-N 3.05Å
128L91.2Very high92.3Very high1 Ų175.6 Ų75.61%0.00539%0.386CS..Hα-helixtrans-66-39.1178.3-177.853.7000111.6F124 V125 K130 K131 M132 I134 L170 E173 V174F124-L128 HydrophobicContact CE1-CD2 3.67Å; F124-L128 HydrophobicContact CZ-CD2 3.91Å; F124-L128 WeakPolarHBondContact O-CB 3.47Å; F124-L128 PolarHBondContact O-N 3.08Å; V125-L128 PolarHBondContact O-N 3.36Å; L128-K130 PolarHBondContact O-N 3.11Å; L128-K131 HydrophobicContact CD1-CD 4.48Å; L128-K131 WeakPolarHBondContact O-CA 3.47Å; L128-K131 WeakPolarHBondContact O-CB 3.34Å; L128-K131 PolarHBondContact O-N 3.4Å; L128-M132 HydrophobicContact CD1-CB 4.44Å; L128-M132 HydrophobicContact CD1-CG 4.29Å; L128-M132 HydrophobicContact CD1-SD 4.17Å; L128-M132 PolarHBondContact O-N 3.01Å; L128-M132 VanDerWaalsContact O-O 3.13Å; L128-I134 HydrophobicContact CB-CG2 4.5Å; L128-I134 HydrophobicContact CD2-CD1 4.29Å; L128-I134 HydrophobicContact CD2-CG2 4.31Å; L128-I134 HydrophobicContact CG-CG2 4.14Å; L128-L170 HydrophobicContact CD1-CD1 4.26Å; L128-L170 HydrophobicContact CD2-CD1 3.84Å; L128-L170 HydrophobicContact CG-CD1 4.22Å; L128-E173 HydrophobicContact CD1-CG 4.34Å; L128-V174 HydrophobicContact CD2-CG2 4.03Å
129K90.8Very high92.3Very high96 Ų9672.4 Ų72.442%0.41737%0.369SS..THydrogen-bonded Turntrans-58.4-14.9176-167161.2-169.7118.50114.8V125 M132 D133 I134V125-K129 WeakPolarHBondContact O-CB 3.35Å; V125-K129 PolarHBondContact O-N 3.27Å; K129-M132 VanDerWaalsContact CA-O 3.24Å; K129-M132 WeakPolarHBondContact CA-O 3.2Å; K129-D133 WeakPolarHBondContact CE-OD1 3.5Å; K129-D133 IonicContact NZ-OD1 3.19Å; K129-D133 PolarHBondContact NZ-OD1 2.95Å; K129-I134 HydrophobicContact CB-CG2 4.45Å; K129-I134 PolarHBondContact NZ-O 3.01Å
130K90.2Very high92.3Very high183 Ų18369.6 Ų69.680%0.79635%0.346SS*.THydrogen-bonded Turntrans-88.4-11.2173.6-61.1175.6-175.5176.10113.6N126 K127 L128N126-K130 WeakPolarHBondContact O-CE 3.18Å; K127-K130 PolarHBondContact O-N 3.05Å; L128-K130 PolarHBondContact O-N 3.11Å
131K88.2Confident92.3Very high132 Ų13268.3 Ų68.357%0.57434%0.34SS*.THydrogen-bonded Turntrans-106.3-44.5175.5-63.6177.9170.6-176.50112.1L128 E173L128-K131 HydrophobicContact CD1-CD 4.48Å; L128-K131 WeakPolarHBondContact O-CA 3.47Å; L128-K131 WeakPolarHBondContact O-CB 3.34Å; L128-K131 PolarHBondContact O-N 3.4Å; K131-E173 IonicContact NZ-OE1 2.64Å; K131-E173 PolarHBondContact NZ-OE1 2.79Å; K131-E173 IonicContact NZ-OE2 3.14Å; K131-E173 PolarHBondContact NZ-OE2 2.65Å
132M88.6Confident92.2Very high50 Ų5068.3 Ų68.325%0.24634%0.34CS..SBendtrans-141.4139-170-49.4-177.684.200107.7L128 K129 I134 E169 L170L128-M132 HydrophobicContact CD1-CB 4.44Å; L128-M132 HydrophobicContact CD1-CG 4.29Å; L128-M132 HydrophobicContact CD1-SD 4.17Å; L128-M132 PolarHBondContact O-N 3.01Å; L128-M132 VanDerWaalsContact O-O 3.13Å; K129-M132 VanDerWaalsContact CA-O 3.24Å; K129-M132 WeakPolarHBondContact CA-O 3.2Å; M132-I134 PolarHBondContact O-N 3.34Å; M132-E169 HydrophobicContact CE-CB 3.84Å; M132-L170 HydrophobicContact CB-CD1 4.21Å; M132-L170 HydrophobicContact CE-CB 3.95Å; M132-L170 HydrophobicContact CE-CD1 4.45Å; M132-L170 HydrophobicContact SD-CB 4.22Å; M132-L170 HydrophobicContact SD-CD1 3.82Å
133D86.4Confident92.2Very high130 Ų13063.3 Ų63.370%0.69532%0.316SS*.  trans-76.7126.2177.4-163.415.9000110.3K129K129-D133 WeakPolarHBondContact CE-OD1 3.5Å; K129-D133 IonicContact NZ-OD1 3.19Å; K129-D133 PolarHBondContact NZ-OD1 2.95Å
134I90.6Very high92.1Very high1 Ų159.1 Ų59.11%0.00529%0.291CS..  trans-142.1139.9179.1-177.5165.3000109.1V125 L128 K129 M132 Q138 F139 M142 L170 V174V125-I134 HydrophobicContact CG1-CG2 4.3Å; L128-I134 HydrophobicContact CB-CG2 4.5Å; L128-I134 HydrophobicContact CD2-CD1 4.29Å; L128-I134 HydrophobicContact CD2-CG2 4.31Å; L128-I134 HydrophobicContact CG-CG2 4.14Å; K129-I134 HydrophobicContact CB-CG2 4.45Å; K129-I134 PolarHBondContact NZ-O 3.01Å; M132-I134 PolarHBondContact O-N 3.34Å; I134-Q138 HydrophobicContact CG1-CB 4.41Å; I134-F139 HydrophobicContact CD1-CB 3.92Å; I134-F139 HydrophobicContact CD1-CD2 4.3Å; I134-F139 HydrophobicContact CG1-CB 4.45Å; I134-M142 HydrophobicContact CD1-SD 4.37Å; I134-L170 HydrophobicContact CD1-CD1 4.23Å; I134-L170 HydrophobicContact CD1-CD2 4.34Å; I134-V174 HydrophobicContact CD1-CG2 4.47Å
135C90.3Very high92Very high65 Ų6561.5 Ų61.544%0.43930%0.299SS..  trans-90.8143.3174.2-168.30000110.3L137 Q138 F139C135-L137 VanDerWaalsContact C-N 3.35Å; C135-L137 PolarHBondContact O-N 3.17Å; C135-Q138 HydrophobicContact CB-CB 3.9Å; C135-Q138 WeakPolarHBondContact O-CB 3.39Å; C135-Q138 PolarHBondContact O-N 3.23Å; C135-F139 PolarHBondContact O-N 3.22Å; C135-F139 VanDerWaalsContact O-N 3.08Å
136P92.4Very high91.9Very high63 Ų6361.1 Ų61.141%0.40930%0.297SS..Hα-helixtrans-45.9-54.2170.9-32.738.7000113.2L117 Q138 F139 E140L117-P136 HydrophobicContact CD1-CB 3.56Å; P136-Q138 VanDerWaalsContact C-N 3.26Å; P136-Q138 PolarHBondContact O-N 3.03Å; P136-F139 WeakPolarHBondContact O-CB 3.41Å; P136-F139 PolarHBondContact O-N 2.81Å; P136-E140 PolarHBondContact O-N 3.28Å
137L92.1Very high91.8Very high82 Ų8257 Ų5743%0.42927%0.274SS..Hα-helixtrans-59.1-32.6177.8-176.165.6000113.9P113 C135 E140 E141P113-L137 HydrophobicContact CG-CD1 3.98Å; C135-L137 VanDerWaalsContact C-N 3.35Å; C135-L137 PolarHBondContact O-N 3.17Å; L137-E140 WeakPolarHBondContact CA-OE2 3.39Å; L137-E140 PolarHBondContact O-N 2.96Å; L137-E141 WeakPolarHBondContact O-CB 3.36Å; L137-E141 WeakPolarHBondContact O-CG 3.37Å; L137-E141 PolarHBondContact O-N 3.38Å
138Q92.9Very high91.6Very high57 Ų5756 Ų5627%0.26627%0.27SS..Hα-helixtrans-70.9-36.5176.8-176.7-172400111.2I134 C135 P136 M142I134-Q138 HydrophobicContact CG1-CB 4.41Å; C135-Q138 HydrophobicContact CB-CB 3.9Å; C135-Q138 WeakPolarHBondContact O-CB 3.39Å; C135-Q138 PolarHBondContact O-N 3.23Å; P136-Q138 VanDerWaalsContact C-N 3.26Å; P136-Q138 PolarHBondContact O-N 3.03Å; Q138-M142 WeakPolarHBondContact O-CG 3.43Å; Q138-M142 PolarHBondContact O-N 3.05Å
139F94.9Very high91.4Very high0 Ų057.7 Ų57.70%029%0.288CS..Hα-helixtrans-66.2-43.2172.3178.5-89.7000110.9L117 D121 F124 V125 I134 C135 P136 M142 I143 V174 Y177L117-F139 HydrophobicContact CD2-CD1 3.35Å; L117-F139 HydrophobicContact CD2-CE1 3.74Å; L117-F139 HydrophobicContact CD2-CG 4.28Å; L117-F139 HydrophobicContact CG-CD1 4.44Å; D121-F139 HydrophobicContact CB-CE1 3.75Å; D121-F139 HydrophobicContact CB-CZ 4.25Å; F124-F139 HydrophobicContact CD1-CD2 4.4Å; F124-F139 AromaticContact CD1-CE2 3.63Å; F124-F139 HydrophobicContact CD1-CE2 3.63Å; F124-F139 HydrophobicContact CD1-CZ 4.12Å; F124-F139 HydrophobicContact CE1-CD2 4.31Å; F124-F139 AromaticContact CE1-CE2 3.64Å; F124-F139 HydrophobicContact CE1-CE2 3.64Å; F124-F139 HydrophobicContact CE1-CZ 4.49Å; V125-F139 HydrophobicContact CG2-CB 3.98Å; V125-F139 HydrophobicContact CG2-CD1 3.98Å; V125-F139 HydrophobicContact CG2-CD2 3.78Å; V125-F139 HydrophobicContact CG2-CE1 4.36Å; V125-F139 HydrophobicContact CG2-CE2 4.21Å; V125-F139 HydrophobicContact CG2-CG 3.63Å; V125-F139 HydrophobicContact CG2-CZ 4.46Å; I134-F139 HydrophobicContact CD1-CB 3.92Å; I134-F139 HydrophobicContact CD1-CD2 4.3Å; I134-F139 HydrophobicContact CG1-CB 4.45Å; C135-F139 PolarHBondContact O-N 3.22Å; C135-F139 VanDerWaalsContact O-N 3.08Å; P136-F139 WeakPolarHBondContact O-CB 3.41Å; P136-F139 PolarHBondContact O-N 2.81Å; F139-M142 PolarHBondContact O-N 2.63Å; F139-M142 VanDerWaalsContact O-N 3.09Å; F139-I143 HydrophobicContact CD1-CG1 3.89Å; F139-I143 HydrophobicContact CD2-CG1 4.49Å; F139-I143 HydrophobicContact CE1-CD1 4.14Å; F139-I143 HydrophobicContact CE1-CG1 3.48Å; F139-I143 VanDerWaalsContact CE1-CG1 3.48Å; F139-I143 HydrophobicContact CE2-CD1 4.04Å; F139-I143 HydrophobicContact CE2-CG1 4.1Å; F139-I143 HydrophobicContact CG-CG1 4.41Å; F139-I143 HydrophobicContact CZ-CD1 3.73Å; F139-I143 HydrophobicContact CZ-CG1 3.6Å; F139-I143 WeakPolarHBondContact O-CG1 3.39Å; F139-I143 PolarHBondContact O-N 2.97Å; F139-V174 HydrophobicContact CD2-CG1 4.24Å; F139-V174 HydrophobicContact CD2-CG2 4.19Å; F139-V174 HydrophobicContact CE2-CG1 4.06Å; F139-V174 HydrophobicContact CE2-CG2 4.38Å; F139-Y177 HydrophobicContact CE2-CD1 4.34Å; F139-Y177 AromaticContact CZ-CD1 3.99Å; F139-Y177 HydrophobicContact CZ-CD1 3.99Å; F139-Y177 AromaticContact CZ-CE1 3.93Å; F139-Y177 HydrophobicContact CZ-CE1 3.93Å
140E94.9Very high91.1Very high32 Ų3253.8 Ų53.815%0.1527%0.272CS..Hα-helixtrans-57.4-49.4174.9-68.2172.2147.100111.3P113 Y115 L117 P136 L137 M142 I143 D144P113-E140 HydrophobicContact CB-CB 4.11Å; P113-E140 HydrophobicContact CG-CB 3.96Å; Y115-E140 VanDerWaalsContact O-CB 3.32Å; Y115-E140 WeakPolarHBondContact O-CB 3.23Å; Y115-E140 VanDerWaalsContact O-CG 3.3Å; Y115-E140 WeakPolarHBondContact O-CG 3.33Å; L117-E140 HydrophobicContact CD1-CG 3.91Å; L117-E140 VanDerWaalsContact CD1-OE1 3.32Å; L117-E140 WeakPolarHBondContact CD1-OE1 3.35Å; L117-E140 HydrophobicContact CD2-CG 4.41Å; L117-E140 HydrophobicContact CG-CG 3.63Å; L117-E140 WeakPolarHBondContact CG-OE1 3.45Å; L117-E140 PolarHBondContact N-OE1 2.82Å; P136-E140 PolarHBondContact O-N 3.28Å; L137-E140 WeakPolarHBondContact CA-OE2 3.39Å; L137-E140 PolarHBondContact O-N 2.96Å; E140-M142 VanDerWaalsContact C-N 3.3Å; E140-M142 PolarHBondContact O-N 3.47Å; E140-I143 PolarHBondContact O-N 3.34Å; E140-D144 WeakPolarHBondContact O-CB 3.33Å; E140-D144 PolarHBondContact O-N 3.33Å
141E93.7Very high90.4Very high65 Ų6547.8 Ų47.830%0.30426%0.263SS..Hα-helixtrans-55.1-40.3171.8-80.2-178.4-147.600113.2P113 L137 R145P113-E141 HydrophobicContact CG-CG 3.87Å; L137-E141 WeakPolarHBondContact O-CB 3.36Å; L137-E141 WeakPolarHBondContact O-CG 3.37Å; L137-E141 PolarHBondContact O-N 3.38Å; E141-R145 WeakPolarHBondContact O-CB 3.35Å; E141-R145 VanDerWaalsContact O-CD 3.26Å; E141-R145 WeakPolarHBondContact O-CD 3.47Å; E141-R145 WeakPolarHBondContact O-CG 3.29Å; E141-R145 PolarHBondContact O-N 3.27Å; E141-R145 IonicContact OE2-CZ 2.85Å; E141-R145 IonicContact OE2-NH1 2.78Å; E141-R145 IonicContact OE2-NH2 3.26Å; E141-R145 PolarHBondContact OE2-NH2 2.97Å
142M94.3Very high89.4Confident0 Ų050.5 Ų50.50%028%0.277CS..Hα-helixtrans-70.2-44.7179.5-71.6173.782.100112I134 Q138 F139 E140 L146 L164 E166 L170 I171 V174I134-M142 HydrophobicContact CD1-SD 4.37Å; Q138-M142 WeakPolarHBondContact O-CG 3.43Å; Q138-M142 PolarHBondContact O-N 3.05Å; F139-M142 PolarHBondContact O-N 2.63Å; F139-M142 VanDerWaalsContact O-N 3.09Å; E140-M142 VanDerWaalsContact C-N 3.3Å; E140-M142 PolarHBondContact O-N 3.47Å; M142-L146 VanDerWaalsContact O-CG 3.3Å; M142-L146 WeakPolarHBondContact O-CG 3.45Å; M142-L146 PolarHBondContact O-N 3.41Å; M142-L164 HydrophobicContact CB-CD1 4.5Å; M142-L164 HydrophobicContact CB-CD2 4.1Å; M142-L164 HydrophobicContact CE-CD1 3.91Å; M142-L164 HydrophobicContact CG-CD2 4.09Å; M142-E166 HydrophobicContact CE-CB 4.12Å; M142-E166 HydrophobicContact CE-CG 4.21Å; M142-E166 HydrophobicContact CG-CG 4.26Å; M142-E166 HydrophobicContact SD-CB 4.4Å; M142-E166 HydrophobicContact SD-CG 3.91Å; M142-L170 HydrophobicContact CE-CG 4.3Å; M142-L170 HydrophobicContact SD-CD2 4.36Å; M142-I171 HydrophobicContact CE-CG1 4.1Å; M142-V174 HydrophobicContact CB-CG1 4.2Å; M142-V174 HydrophobicContact CE-CB 3.98Å; M142-V174 HydrophobicContact CE-CG1 4.13Å; M142-V174 HydrophobicContact CE-CG2 3.94Å; M142-V174 HydrophobicContact SD-CG2 4.27Å
143I94.1Very high88.9Confident1 Ų154.8 Ų54.81%0.00530%0.297CS..Hα-helixtrans-68-42.5178.4-60.5-61.9000111.1Y115 F139 E140 R145 L146 E147 V174 W178 L190Y115-I143 HydrophobicContact CD1-CB 3.73Å; Y115-I143 HydrophobicContact CD1-CG1 4.34Å; Y115-I143 HydrophobicContact CD1-CG2 3.57Å; Y115-I143 HydrophobicContact CD2-CG2 3.78Å; Y115-I143 HydrophobicContact CE1-CB 4.05Å; Y115-I143 HydrophobicContact CE1-CG1 4.27Å; Y115-I143 HydrophobicContact CE1-CG2 3.63Å; Y115-I143 HydrophobicContact CE2-CG2 3.89Å; Y115-I143 HydrophobicContact CG-CB 4.1Å; Y115-I143 HydrophobicContact CG-CG2 3.64Å; F139-I143 HydrophobicContact CD1-CG1 3.89Å; F139-I143 HydrophobicContact CD2-CG1 4.49Å; F139-I143 HydrophobicContact CE1-CD1 4.14Å; F139-I143 HydrophobicContact CE1-CG1 3.48Å; F139-I143 VanDerWaalsContact CE1-CG1 3.48Å; F139-I143 HydrophobicContact CE2-CD1 4.04Å; F139-I143 HydrophobicContact CE2-CG1 4.1Å; F139-I143 HydrophobicContact CG-CG1 4.41Å; F139-I143 HydrophobicContact CZ-CD1 3.73Å; F139-I143 HydrophobicContact CZ-CG1 3.6Å; F139-I143 WeakPolarHBondContact O-CG1 3.39Å; F139-I143 PolarHBondContact O-N 2.97Å; E140-I143 PolarHBondContact O-N 3.34Å; I143-R145 VanDerWaalsContact C-N 3.35Å; I143-R145 PolarHBondContact O-N 3.28Å; I143-L146 PolarHBondContact O-N 3.01Å; I143-L146 VanDerWaalsContact O-N 3.1Å; I143-E147 HydrophobicContact CG2-CG 4.33Å; I143-E147 PolarHBondContact O-N 3.47Å; I143-V174 HydrophobicContact CD1-CG1 3.94Å; I143-W178 HydrophobicContact CD1-CB 3.76Å; I143-W178 HydrophobicContact CD1-CG 4.09Å; I143-L190 HydrophobicContact CG2-CD1 4.18Å
144D92.9Very high88.6Confident16 Ų1651.9 Ų51.99%0.08629%0.285CS..Hα-helixtrans-55.9-46.3175.9179.573.4000112P113 D114 E140 L146 E147 K148P113-D144 HydrophobicContact CB-CB 3.94Å; D114-D144 WeakPolarHBondContact CB-OD1 3.34Å; D114-D144 PolarHBondContact N-OD1 3.29Å; E140-D144 WeakPolarHBondContact O-CB 3.33Å; E140-D144 PolarHBondContact O-N 3.33Å; D144-L146 VanDerWaalsContact C-N 3.34Å; D144-L146 PolarHBondContact O-N 2.97Å; D144-E147 PolarHBondContact O-N 3.47Å; D144-K148 VanDerWaalsContact O-CB 3.29Å; D144-K148 WeakPolarHBondContact O-CB 3.24Å; D144-K148 WeakPolarHBondContact O-CG 3.34Å; D144-K148 PolarHBondContact O-N 3.38Å; D144-K148 WeakPolarHBondContact OD1-CE 3.37Å; D144-K148 IonicContact OD1-NZ 3.01Å; D144-K148 PolarHBondContact OD1-NZ 3.44Å; D144-K148 WeakPolarHBondContact OD2-CD 3.37Å; D144-K148 WeakPolarHBondContact OD2-CE 3.26Å; D144-K148 IonicContact OD2-NZ 3.33Å; D144-K148 PolarHBondContact OD2-NZ 2.8Å
145R92.2Very high88.5Confident75 Ų7552.1 Ų52.128%0.28329%0.287SS..Hα-helixtrans-62.7-37.2175-72.4165.7-167.6150.810.9112.8E141 I143 G149 L164 E166E141-R145 WeakPolarHBondContact O-CB 3.35Å; E141-R145 VanDerWaalsContact O-CD 3.26Å; E141-R145 WeakPolarHBondContact O-CD 3.47Å; E141-R145 WeakPolarHBondContact O-CG 3.29Å; E141-R145 PolarHBondContact O-N 3.27Å; E141-R145 IonicContact OE2-CZ 2.85Å; E141-R145 IonicContact OE2-NH1 2.78Å; E141-R145 IonicContact OE2-NH2 3.26Å; E141-R145 PolarHBondContact OE2-NH2 2.97Å; I143-R145 VanDerWaalsContact C-N 3.35Å; I143-R145 PolarHBondContact O-N 3.28Å; R145-G149 PolarHBondContact O-N 3.3Å; R145-L164 HydrophobicContact CB-CD2 3.8Å; R145-L164 HydrophobicContact CG-CD2 4.42Å; R145-E166 IonicContact NH1-OE1 3.69Å; R145-E166 PolarHBondContact NH1-OE1 3.49Å
146L92.8Very high88.5Confident0 Ų050.8 Ų50.80%028%0.278CS..Hα-helixtrans-73.4-39.7178.7-68.9171.8000112.4M142 I143 D144 S150 V155 A160 L164 W178M142-L146 VanDerWaalsContact O-CG 3.3Å; M142-L146 WeakPolarHBondContact O-CG 3.45Å; M142-L146 PolarHBondContact O-N 3.41Å; I143-L146 PolarHBondContact O-N 3.01Å; I143-L146 VanDerWaalsContact O-N 3.1Å; D144-L146 VanDerWaalsContact C-N 3.34Å; D144-L146 PolarHBondContact O-N 2.97Å; L146-S150 PolarHBondContact O-N 3.27Å; L146-V155 HydrophobicContact CD2-CG1 4.34Å; L146-V155 WeakPolarHBondContact O-CG2 3.28Å; L146-A160 HydrophobicContact CD2-CB 3.61Å; L146-L164 HydrophobicContact CD1-CD1 4.21Å; L146-L164 HydrophobicContact CD2-CD1 4.17Å; L146-L164 HydrophobicContact CG-CD1 4.2Å; L146-W178 HydrophobicContact CB-CD2 3.89Å; L146-W178 HydrophobicContact CB-CE3 4.27Å; L146-W178 HydrophobicContact CB-CG 4.4Å; L146-W178 HydrophobicContact CB-CH2 4.03Å; L146-W178 HydrophobicContact CB-CZ2 3.67Å; L146-W178 HydrophobicContact CB-CZ3 4.35Å; L146-W178 HydrophobicContact CD1-CB 4.25Å; L146-W178 HydrophobicContact CD1-CD2 3.92Å; L146-W178 HydrophobicContact CD1-CE3 4.06Å; L146-W178 HydrophobicContact CD1-CG 4.02Å; L146-W178 HydrophobicContact CD2-CZ3 4.44Å; L146-W178 HydrophobicContact CG-CD2 4.46Å; L146-W178 WeakPolarHBondContact O-CZ2 3.48Å
147E91.4Very high88.5Confident14 Ų1449.7 Ų49.77%0.06527%0.268CS..Hα-helixtrans-67.6-43.9173.3-74.7-65.1110.800111.6I143 D144 G149 S150 W178 S189 L190I143-E147 HydrophobicContact CG2-CG 4.33Å; I143-E147 PolarHBondContact O-N 3.47Å; D144-E147 PolarHBondContact O-N 3.47Å; E147-G149 VanDerWaalsContact C-N 3.33Å; E147-G149 PolarHBondContact O-N 2.89Å; E147-S150 VanDerWaalsContact O-CB 3.23Å; E147-S150 WeakPolarHBondContact O-CB 3.21Å; E147-S150 PolarHBondContact O-N 3.05Å; E147-W178 WeakPolarHBondContact OE1-CZ2 3.41Å; E147-W178 PolarHBondContact OE1-NE1 3.03Å; E147-S189 VanDerWaalsContact OE2-CA 3.25Å; E147-S189 WeakPolarHBondContact OE2-CA 3.38Å; E147-S189 VanDerWaalsContact OE2-CB 3.31Å; E147-S189 WeakPolarHBondContact OE2-CB 3.21Å; E147-S189 PolarHBondContact OE2-OG 2.89Å; E147-L190 HydrophobicContact CG-CB 4.31Å; E147-L190 HydrophobicContact CG-CD1 4.29Å; E147-L190 HydrophobicContact CG-CG 4.46Å; E147-L190 PolarHBondContact OE2-N 3.23Å
148K89.6Confident88.3Confident112 Ų11252.1 Ų52.149%0.48728%0.278SS..Hα-helixtrans-65.1-35.7174.9-73.9169.1177.8162.90112.5D114 D144 S150D114-K148 WeakPolarHBondContact OD2-CE 3.38Å; D114-K148 IonicContact OD2-NZ 3.64Å; D114-K148 PolarHBondContact OD2-NZ 3.05Å; D144-K148 VanDerWaalsContact O-CB 3.29Å; D144-K148 WeakPolarHBondContact O-CB 3.24Å; D144-K148 WeakPolarHBondContact O-CG 3.34Å; D144-K148 PolarHBondContact O-N 3.38Å; D144-K148 WeakPolarHBondContact OD1-CE 3.37Å; D144-K148 IonicContact OD1-NZ 3.01Å; D144-K148 PolarHBondContact OD1-NZ 3.44Å; D144-K148 WeakPolarHBondContact OD2-CD 3.37Å; D144-K148 WeakPolarHBondContact OD2-CE 3.26Å; D144-K148 IonicContact OD2-NZ 3.33Å; D144-K148 PolarHBondContact OD2-NZ 2.8Å; K148-S150 VanDerWaalsContact C-N 3.33Å
149G86.6Confident88.2Confident38 Ų3854.2 Ų54.239%0.39229%0.287SS..Hα-helixtrans-69.9-24.1173.600000114.5R145 E147 V155R145-G149 PolarHBondContact O-N 3.3Å; E147-G149 VanDerWaalsContact C-N 3.33Å; E147-G149 PolarHBondContact O-N 2.89Å; G149-V155 VanDerWaalsContact C-CG2 3.45Å
150S84.4Confident88.1Confident13 Ų1354.2 Ų54.29%0.09129%0.287CS..Hα-helixtrans-64.3-54.7-177.9173.50000113.5L146 E147 K148 Q152 Q153 R182L146-S150 PolarHBondContact O-N 3.27Å; E147-S150 VanDerWaalsContact O-CB 3.23Å; E147-S150 WeakPolarHBondContact O-CB 3.21Å; E147-S150 PolarHBondContact O-N 3.05Å; K148-S150 VanDerWaalsContact C-N 3.33Å; S150-Q152 PolarHBondContact O-N 2.91Å; S150-Q153 CarbonylContact C-O 3.22Å; S150-Q153 WeakPolarHBondContact CA-O 3.33Å; S150-Q153 PolarHBondContact O-N 2.91Å; S150-Q153 VanDerWaalsContact O-N 3.11Å; S150-Q153 PolarHBondContact OG-O 3.49Å; S150-R182 VanDerWaalsContact OG-CZ 3.25Å; S150-R182 PolarHBondContact OG-NH1 3.1Å; S150-R182 PolarHBondContact OG-NH2 3.38Å
151G74.9Confident88Confident57 Ų5756.3 Ų56.359%0.58830%0.296SS*.THydrogen-bonded Turntrans48-117.2-157.700000110.7
152Q68.2Low87.8Confident189 Ų18960.5 Ų60.588%0.88332%0.32SS*.THydrogen-bonded Turntrans-91.7-4-176.3-61.6-1755.900115.7S150S150-Q152 PolarHBondContact O-N 2.91Å
153Q77.4Confident87.6Confident140 Ų14063.9 Ų63.965%0.65434%0.338SS*.SBendtrans-131.8153.7-175.2-70.1-61.9-36.700111.6S150 V155S150-Q153 CarbonylContact C-O 3.22Å; S150-Q153 WeakPolarHBondContact CA-O 3.33Å; S150-Q153 PolarHBondContact O-N 2.91Å; S150-Q153 VanDerWaalsContact O-N 3.11Å; S150-Q153 PolarHBondContact OG-O 3.49Å; Q153-V155 PolarHBondContact O-N 2.8Å
154P80Confident87.5Confident70 Ų7064.2 Ų64.246%0.45534%0.339SS..PPolyproline II helixtrans-67.9119.7173.327.7-31.9000110.9S156 I179P154-S156 PolarHBondContact O-N 3.47Å; P154-I179 HydrophobicContact CB-CD1 3.65Å
155V87.6Confident87.3Confident6 Ų672.7 Ų72.74%0.03638%0.375CS..PPolyproline II helixtrans-50.9135.7165.3-1740000108.5L146 G149 Q153 E159 A160 L163 Y175 W178L146-V155 HydrophobicContact CD2-CG1 4.34Å; L146-V155 WeakPolarHBondContact O-CG2 3.28Å; G149-V155 VanDerWaalsContact C-CG2 3.45Å; Q153-V155 PolarHBondContact O-N 2.8Å; V155-E159 HydrophobicContact CG1-CB 3.54Å; V155-A160 HydrophobicContact CG1-CB 4.37Å; V155-L163 HydrophobicContact CG1-CD1 3.95Å; V155-L163 HydrophobicContact CG2-CD1 4.5Å; V155-Y175 VanDerWaalsContact O-CE2 3.3Å; V155-Y175 WeakPolarHBondContact O-CE2 3.36Å; V155-Y175 PolarHBondContact O-OH 2.72Å; V155-W178 HydrophobicContact CB-CH2 3.72Å; V155-W178 HydrophobicContact CB-CZ3 4.05Å; V155-W178 HydrophobicContact CG2-CH2 3.8Å
156S91.2Very high87.2Confident37 Ų3770.9 Ų70.926%0.25937%0.37SS..PPolyproline II helixtrans-82.2163.5173.365.80000112.3P154 Q158 E159 A160P154-S156 PolarHBondContact O-N 3.47Å; S156-Q158 PolarHBondContact O-N 2.92Å; S156-E159 VanDerWaalsContact CB-OE2 3.24Å; S156-E159 WeakPolarHBondContact CB-OE2 3.2Å; S156-E159 PolarHBondContact N-OE2 3.5Å; S156-E159 PolarHBondContact O-N 3.44Å; S156-E159 VanDerWaalsContact O-N 3.13Å; S156-E159 VanDerWaalsContact OG-CD 3.29Å; S156-E159 WeakPolarHBondContact OG-CG 3.37Å; S156-E159 PolarHBondContact OG-N 3.24Å; S156-E159 PolarHBondContact OG-OE2 3.21Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 2.95Å
157L91.4Very high87.1Confident39 Ų3976.6 Ų76.620%0.20440%0.401CS..Hα-helixtrans-60.3-30.3176.4-179.161.2000112.3K161 I171 R172 Y175L157-K161 VanDerWaalsContact O-CG 3.32Å; L157-K161 WeakPolarHBondContact O-CG 3.49Å; L157-K161 PolarHBondContact O-N 3.01Å; L157-I171 HydrophobicContact CD1-CG2 4.45Å; L157-R172 HydrophobicContact CD2-CG 4.43Å; L157-Y175 HydrophobicContact CB-CD1 4.21Å; L157-Y175 HydrophobicContact CB-CE1 3.89Å; L157-Y175 HydrophobicContact CB-CE2 4.43Å; L157-Y175 HydrophobicContact CD1-CD1 3.78Å; L157-Y175 HydrophobicContact CD1-CD2 4.46Å; L157-Y175 HydrophobicContact CD1-CE1 4.35Å; L157-Y175 HydrophobicContact CD1-CG 3.85Å; L157-Y175 PolarHBondContact N-OH 3.01Å
158Q89.8Confident87.1Confident134 Ų13479.7 Ų79.763%0.62642%0.418SS*.Hα-helixtrans-70.3-41.3175.4-73.676.72.600112S156 K161S156-Q158 PolarHBondContact O-N 2.92Å; Q158-K161 PolarHBondContact O-N 3.08Å
159E90.7Very high87.2Confident100 Ų10080.2 Ų80.247%0.46742%0.422SS..Hα-helixtrans-72.4-37176.2-69.1158134.900111.4V155 S156 K161 L162 L163V155-E159 HydrophobicContact CG1-CB 3.54Å; S156-E159 VanDerWaalsContact CB-OE2 3.24Å; S156-E159 WeakPolarHBondContact CB-OE2 3.2Å; S156-E159 PolarHBondContact N-OE2 3.5Å; S156-E159 PolarHBondContact O-N 3.44Å; S156-E159 VanDerWaalsContact O-N 3.13Å; S156-E159 VanDerWaalsContact OG-CD 3.29Å; S156-E159 WeakPolarHBondContact OG-CG 3.37Å; S156-E159 PolarHBondContact OG-N 3.24Å; S156-E159 PolarHBondContact OG-OE2 3.21Å; E159-K161 VanDerWaalsContact C-N 3.28Å; E159-K161 PolarHBondContact O-N 3.18Å; E159-L162 PolarHBondContact O-N 2.7Å; E159-L163 WeakPolarHBondContact O-CG 3.46Å; E159-L163 PolarHBondContact O-N 3.14Å
160A91.9Very high87.5Confident0 Ų078.7 Ų78.70%041%0.405CS..Hα-helixtrans-53.9-45.6172.200000111.2L146 V155 S156 L162 L163 L164 I171 Y175L146-A160 HydrophobicContact CD2-CB 3.61Å; V155-A160 HydrophobicContact CG1-CB 4.37Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 2.95Å; A160-L162 PolarHBondContact O-N 3.06Å; A160-L163 PolarHBondContact O-N 3.25Å; A160-L164 WeakPolarHBondContact O-CB 3.17Å; A160-L164 VanDerWaalsContact O-CG 3.3Å; A160-L164 WeakPolarHBondContact O-CG 3.4Å; A160-L164 PolarHBondContact O-N 3.42Å; A160-I171 HydrophobicContact CB-CG2 4.4Å; A160-Y175 HydrophobicContact CB-CD2 3.72Å; A160-Y175 HydrophobicContact CB-CE2 4.26Å
161K92.1Very high88Confident77 Ų7778.3 Ų78.334%0.33540%0.401SS..Hα-helixtrans-65-12.6174.7-72.5174.9173.2-145.30115.6L157 Q158 E159 D168 I171L157-K161 VanDerWaalsContact O-CG 3.32Å; L157-K161 WeakPolarHBondContact O-CG 3.49Å; L157-K161 PolarHBondContact O-N 3.01Å; Q158-K161 PolarHBondContact O-N 3.08Å; E159-K161 VanDerWaalsContact C-N 3.28Å; E159-K161 PolarHBondContact O-N 3.18Å; K161-D168 WeakPolarHBondContact CE-OD1 3.28Å; K161-D168 IonicContact NZ-OD1 2.6Å; K161-D168 PolarHBondContact NZ-OD1 3.45Å; K161-D168 IonicContact NZ-OD2 2.74Å; K161-D168 PolarHBondContact NZ-OD2 2.71Å; K161-I171 HydrophobicContact CG-CG2 3.91Å
162L91.2Very high88.9Confident152 Ų15280.3 Ų80.380%0.79639%0.391SS*.Hα-helixtrans-100.2-25.6175.8-64.8172.5000112.3E159 A160E159-L162 PolarHBondContact O-N 2.7Å; A160-L162 PolarHBondContact O-N 3.06Å
163L90.1Very high90.2Very high72 Ų7274.6 Ų74.638%0.37736%0.364SS..Hα-helixtrans-83-34.2174.5-65169.6000112.2V155 E159 A160V155-L163 HydrophobicContact CG1-CD1 3.95Å; V155-L163 HydrophobicContact CG2-CD1 4.5Å; E159-L163 WeakPolarHBondContact O-CG 3.46Å; E159-L163 PolarHBondContact O-N 3.14Å; A160-L163 PolarHBondContact O-N 3.25Å
164L91.3Very high91Very high8 Ų867.9 Ų67.94%0.04233%0.333CS..  trans-94.6154.6-177.6-61.8-175.6000111.2M142 R145 L146 A160 E166 I171M142-L164 HydrophobicContact CB-CD1 4.5Å; M142-L164 HydrophobicContact CB-CD2 4.1Å; M142-L164 HydrophobicContact CE-CD1 3.91Å; M142-L164 HydrophobicContact CG-CD2 4.09Å; R145-L164 HydrophobicContact CB-CD2 3.8Å; R145-L164 HydrophobicContact CG-CD2 4.42Å; L146-L164 HydrophobicContact CD1-CD1 4.21Å; L146-L164 HydrophobicContact CD2-CD1 4.17Å; L146-L164 HydrophobicContact CG-CD1 4.2Å; A160-L164 WeakPolarHBondContact O-CB 3.17Å; A160-L164 VanDerWaalsContact O-CG 3.3Å; A160-L164 WeakPolarHBondContact O-CG 3.4Å; A160-L164 PolarHBondContact O-N 3.42Å; L164-E166 WeakPolarHBondContact CA-OE2 3.28Å; L164-E166 VanDerWaalsContact CB-OE2 3.26Å; L164-E166 WeakPolarHBondContact CB-OE2 3.47Å; L164-I171 HydrophobicContact CB-CD1 3.69Å; L164-I171 HydrophobicContact CB-CG1 3.87Å; L164-I171 HydrophobicContact CD1-CB 4.5Å; L164-I171 HydrophobicContact CD1-CG1 4.01Å; L164-I171 HydrophobicContact CD1-CG2 4.16Å
165K87.8Confident91.7Very high193 Ų19365.9 Ų65.984%0.83932%0.317SS*.  trans-125.79.8-174.3-64-179.6-177171.40113
166E90.6Very high92.1Very high37 Ų3770.7 Ų70.717%0.17334%0.339CS..SBendtrans-93.4179.6-177.6-60.173.9-155.900111.3M142 R145 L164 L170 I171M142-E166 HydrophobicContact CE-CB 4.12Å; M142-E166 HydrophobicContact CE-CG 4.21Å; M142-E166 HydrophobicContact CG-CG 4.26Å; M142-E166 HydrophobicContact SD-CB 4.4Å; M142-E166 HydrophobicContact SD-CG 3.91Å; R145-E166 IonicContact NH1-OE1 3.69Å; R145-E166 PolarHBondContact NH1-OE1 3.49Å; L164-E166 WeakPolarHBondContact CA-OE2 3.28Å; L164-E166 VanDerWaalsContact CB-OE2 3.26Å; L164-E166 WeakPolarHBondContact CB-OE2 3.47Å; E166-L170 HydrophobicContact CB-CD2 4.26Å; E166-I171 HydrophobicContact CB-CG1 4.24Å; E166-I171 WeakPolarHBondContact O-CD1 3.35Å
167D90.8Very high92.3Very high120 Ų12069.8 Ų69.864%0.64233%0.33SS*.  trans-66.6145.2-176.7-72.7-55.9000113.8E169 L170 I171D167-E169 PolarHBondContact O-N 3.15Å; D167-L170 HydrophobicContact CB-CB 4.34Å; D167-L170 PolarHBondContact O-N 3.31Å; D167-I171 WeakPolarHBondContact O-CG1 3.44Å; D167-I171 PolarHBondContact O-N 3.31Å
168D91.3Very high92.4Very high79 Ų7967.9 Ų67.942%0.42232%0.32SS..Hα-helixtrans-60.2-22.5-174.1-155.880.2000114.4K161 R172K161-D168 WeakPolarHBondContact CE-OD1 3.28Å; K161-D168 IonicContact NZ-OD1 2.6Å; K161-D168 PolarHBondContact NZ-OD1 3.45Å; K161-D168 IonicContact NZ-OD2 2.74Å; K161-D168 PolarHBondContact NZ-OD2 2.71Å; D168-R172 PolarHBondContact O-NH2 3.2Å; D168-R172 VanDerWaalsContact O-NH2 3.12Å; D168-R172 IonicContact OD2-NH2 2.97Å; D168-R172 PolarHBondContact OD2-NH2 2.93Å
169E91.7Very high92.6Very high124 Ų12461.9 Ų61.958%0.57929%0.292SS*.Hα-helixtrans-85.8-38.5172.9-59.5-166.4156.500112.8M132 D167 R172 E173M132-E169 HydrophobicContact CE-CB 3.84Å; D167-E169 PolarHBondContact O-N 3.15Å; E169-R172 WeakPolarHBondContact O-CB 3.39Å; E169-R172 PolarHBondContact O-N 3.03Å; E169-E173 PolarHBondContact O-N 3.35Å
170L93.3Very high92.7Very high6 Ų662.3 Ų62.33%0.03129%0.292CS..Hα-helixtrans-68.6-45.5179.2-172.566.7000110.4L128 M132 I134 M142 E166 D167 R172 E173 V174L128-L170 HydrophobicContact CD1-CD1 4.26Å; L128-L170 HydrophobicContact CD2-CD1 3.84Å; L128-L170 HydrophobicContact CG-CD1 4.22Å; M132-L170 HydrophobicContact CB-CD1 4.21Å; M132-L170 HydrophobicContact CE-CB 3.95Å; M132-L170 HydrophobicContact CE-CD1 4.45Å; M132-L170 HydrophobicContact SD-CB 4.22Å; M132-L170 HydrophobicContact SD-CD1 3.82Å; I134-L170 HydrophobicContact CD1-CD1 4.23Å; I134-L170 HydrophobicContact CD1-CD2 4.34Å; M142-L170 HydrophobicContact CE-CG 4.3Å; M142-L170 HydrophobicContact SD-CD2 4.36Å; E166-L170 HydrophobicContact CB-CD2 4.26Å; D167-L170 HydrophobicContact CB-CB 4.34Å; D167-L170 PolarHBondContact O-N 3.31Å; L170-R172 PolarHBondContact O-N 2.92Å; L170-E173 PolarHBondContact O-N 3.47Å; L170-V174 HydrophobicContact CG-CG2 4.5Å; L170-V174 WeakPolarHBondContact O-CB 3.37Å; L170-V174 WeakPolarHBondContact O-CG2 3.14Å; L170-V174 PolarHBondContact O-N 3.34Å
171I94.5Very high92.7Very high4 Ų463.1 Ų63.12%0.02130%0.296CS..Hα-helixtrans-51.9-41.3171.7-71.7172.8000110.5M142 L157 A160 K161 L164 E166 D167 Y175M142-I171 HydrophobicContact CE-CG1 4.1Å; L157-I171 HydrophobicContact CD1-CG2 4.45Å; A160-I171 HydrophobicContact CB-CG2 4.4Å; K161-I171 HydrophobicContact CG-CG2 3.91Å; L164-I171 HydrophobicContact CB-CD1 3.69Å; L164-I171 HydrophobicContact CB-CG1 3.87Å; L164-I171 HydrophobicContact CD1-CB 4.5Å; L164-I171 HydrophobicContact CD1-CG1 4.01Å; L164-I171 HydrophobicContact CD1-CG2 4.16Å; E166-I171 HydrophobicContact CB-CG1 4.24Å; E166-I171 WeakPolarHBondContact O-CD1 3.35Å; D167-I171 WeakPolarHBondContact O-CG1 3.44Å; D167-I171 PolarHBondContact O-N 3.31Å; I171-Y175 WeakPolarHBondContact O-CB 3.44Å; I171-Y175 PolarHBondContact O-N 3.36Å
172R94.4Very high92.6Very high100 Ų10061 Ų6138%0.37729%0.286SS..Hα-helixtrans-68-48.3-178-164.2-173.7-50.7117.18.7112.6L157 D168 E169 L170 Y175 E176L157-R172 HydrophobicContact CD2-CG 4.43Å; D168-R172 PolarHBondContact O-NH2 3.2Å; D168-R172 VanDerWaalsContact O-NH2 3.12Å; D168-R172 IonicContact OD2-NH2 2.97Å; D168-R172 PolarHBondContact OD2-NH2 2.93Å; E169-R172 WeakPolarHBondContact O-CB 3.39Å; E169-R172 PolarHBondContact O-N 3.03Å; L170-R172 PolarHBondContact O-N 2.92Å; R172-Y175 PolarHBondContact O-N 2.92Å; R172-E176 WeakPolarHBondContact O-CG 3.44Å; R172-E176 PolarHBondContact O-N 3.43Å
173E94.9Very high92.5Very high68 Ų6861.1 Ų61.132%0.31828%0.28SS..Hα-helixtrans-70.9-36.5-179.2-169.8131.514700111.9F124 L128 K131 E169 L170 Y177F124-E173 HydrophobicContact CE2-CG 4.14Å; F124-E173 HydrophobicContact CZ-CG 3.91Å; L128-E173 HydrophobicContact CD1-CG 4.34Å; K131-E173 IonicContact NZ-OE1 2.64Å; K131-E173 PolarHBondContact NZ-OE1 2.79Å; K131-E173 IonicContact NZ-OE2 3.14Å; K131-E173 PolarHBondContact NZ-OE2 2.65Å; E169-E173 PolarHBondContact O-N 3.35Å; L170-E173 PolarHBondContact O-N 3.47Å; E173-Y177 WeakPolarHBondContact O-CB 3.46Å; E173-Y177 PolarHBondContact O-N 3.36Å; E173-Y177 VanDerWaalsContact O-N 3.14Å
174V94.9Very high92.5Very high0 Ų063 Ų630%029%0.291CS..Hα-helixtrans-66.1-43.5173174.70000111.3F124 L128 I134 F139 M142 I143 L170 Y177 W178F124-V174 HydrophobicContact CE1-CG2 4.43Å; L128-V174 HydrophobicContact CD2-CG2 4.03Å; I134-V174 HydrophobicContact CD1-CG2 4.47Å; F139-V174 HydrophobicContact CD2-CG1 4.24Å; F139-V174 HydrophobicContact CD2-CG2 4.19Å; F139-V174 HydrophobicContact CE2-CG1 4.06Å; F139-V174 HydrophobicContact CE2-CG2 4.38Å; M142-V174 HydrophobicContact CB-CG1 4.2Å; M142-V174 HydrophobicContact CE-CB 3.98Å; M142-V174 HydrophobicContact CE-CG1 4.13Å; M142-V174 HydrophobicContact CE-CG2 3.94Å; M142-V174 HydrophobicContact SD-CG2 4.27Å; I143-V174 HydrophobicContact CD1-CG1 3.94Å; L170-V174 HydrophobicContact CG-CG2 4.5Å; L170-V174 WeakPolarHBondContact O-CB 3.37Å; L170-V174 WeakPolarHBondContact O-CG2 3.14Å; L170-V174 PolarHBondContact O-N 3.34Å; V174-Y177 PolarHBondContact O-N 2.99Å; V174-W178 VanDerWaalsContact O-CB 3.3Å; V174-W178 WeakPolarHBondContact O-CB 3.32Å; V174-W178 PolarHBondContact O-N 3Å
175Y95.2Very high92.3Very high27 Ų2765 Ų6511%0.10630%0.304CS..Hα-helixtrans-61.8-47177171.5-89.8000112.5V155 L157 A160 I171 R172 Y177 W178 I179V155-Y175 VanDerWaalsContact O-CE2 3.3Å; V155-Y175 WeakPolarHBondContact O-CE2 3.36Å; V155-Y175 PolarHBondContact O-OH 2.72Å; L157-Y175 HydrophobicContact CB-CD1 4.21Å; L157-Y175 HydrophobicContact CB-CE1 3.89Å; L157-Y175 HydrophobicContact CB-CE2 4.43Å; L157-Y175 HydrophobicContact CD1-CD1 3.78Å; L157-Y175 HydrophobicContact CD1-CD2 4.46Å; L157-Y175 HydrophobicContact CD1-CE1 4.35Å; L157-Y175 HydrophobicContact CD1-CG 3.85Å; L157-Y175 PolarHBondContact N-OH 3.01Å; A160-Y175 HydrophobicContact CB-CD2 3.72Å; A160-Y175 HydrophobicContact CB-CE2 4.26Å; I171-Y175 WeakPolarHBondContact O-CB 3.44Å; I171-Y175 PolarHBondContact O-N 3.36Å; R172-Y175 PolarHBondContact O-N 2.92Å; Y175-Y177 VanDerWaalsContact C-N 3.3Å; Y175-Y177 PolarHBondContact O-N 3.35Å; Y175-W178 HydrophobicContact CD2-CE3 4.05Å; Y175-W178 HydrophobicContact CD2-CZ3 4.12Å; Y175-W178 HydrophobicContact CE2-CE3 4.27Å; Y175-W178 AromaticContact CE2-CZ3 3.96Å; Y175-W178 HydrophobicContact CE2-CZ3 3.96Å; Y175-W178 PolarHBondContact O-N 3.2Å; Y175-I179 HydrophobicContact CD1-CG2 4.46Å; Y175-I179 HydrophobicContact CE1-CG2 4.18Å; Y175-I179 WeakPolarHBondContact O-CB 3.33Å; Y175-I179 VanDerWaalsContact O-CG2 3.26Å; Y175-I179 WeakPolarHBondContact O-CG2 3.38Å; Y175-I179 PolarHBondContact O-N 2.88Å
176E95.2Very high91.8Very high107 Ų10767.9 Ų67.950%0.531%0.31SS..Hα-helixtrans-65-34.5179.3-74.3-60.2142.400112.2R172 K180R172-E176 WeakPolarHBondContact O-CG 3.44Å; R172-E176 PolarHBondContact O-N 3.43Å; E176-K180 WeakPolarHBondContact O-CB 3.38Å; E176-K180 PolarHBondContact O-N 3.4Å
177Y95Very high91.2Very high18 Ų1868 Ų687%0.07132%0.32CS..Hα-helixtrans-65.6-52.2170.2175.2-95000111.7E120 D121 F124 F139 E173 V174 Y175 I179 K180 K181E120-Y177 HydrophobicContact CG-CE2 4.33Å; E120-Y177 WeakPolarHBondContact CG-OH 3.36Å; D121-Y177 WeakPolarHBondContact OD1-CE1 3.38Å; D121-Y177 PolarHBondContact OD1-OH 3.08Å; D121-Y177 VanDerWaalsContact OD1-OH 3.11Å; F124-Y177 HydrophobicContact CB-CD2 4.14Å; F124-Y177 HydrophobicContact CB-CE2 3.89Å; F124-Y177 HydrophobicContact CD1-CD1 4.07Å; F124-Y177 HydrophobicContact CD1-CD2 4.29Å; F124-Y177 HydrophobicContact CD1-CE1 4.48Å; F124-Y177 AromaticContact CD1-CG 3.99Å; F124-Y177 HydrophobicContact CD1-CG 3.99Å; F124-Y177 AromaticContact CD2-CD2 3.46Å; F124-Y177 HydrophobicContact CD2-CD2 3.46Å; F124-Y177 VanDerWaalsContact CD2-CD2 3.46Å; F124-Y177 HydrophobicContact CD2-CE2 4.09Å; F124-Y177 AromaticContact CD2-CG 3.79Å; F124-Y177 HydrophobicContact CD2-CG 3.79Å; F124-Y177 HydrophobicContact CE1-CD1 4.27Å; F124-Y177 HydrophobicContact CE1-CG 4.06Å; F124-Y177 AromaticContact CE2-CD2 3.9Å; F124-Y177 HydrophobicContact CE2-CD2 3.9Å; F124-Y177 AromaticContact CE2-CG 3.86Å; F124-Y177 HydrophobicContact CE2-CG 3.86Å; F124-Y177 HydrophobicContact CG-CD1 4.25Å; F124-Y177 AromaticContact CG-CD2 3.69Å; F124-Y177 HydrophobicContact CG-CD2 3.69Å; F124-Y177 AromaticContact CG-CE2 3.97Å; F124-Y177 HydrophobicContact CG-CE2 3.97Å; F124-Y177 AromaticContact CG-CG 3.85Å; F124-Y177 HydrophobicContact CG-CG 3.85Å; F124-Y177 HydrophobicContact CZ-CD2 4.47Å; F124-Y177 AromaticContact CZ-CG 3.98Å; F124-Y177 HydrophobicContact CZ-CG 3.98Å; F139-Y177 HydrophobicContact CE2-CD1 4.34Å; F139-Y177 AromaticContact CZ-CD1 3.99Å; F139-Y177 HydrophobicContact CZ-CD1 3.99Å; F139-Y177 AromaticContact CZ-CE1 3.93Å; F139-Y177 HydrophobicContact CZ-CE1 3.93Å; E173-Y177 WeakPolarHBondContact O-CB 3.46Å; E173-Y177 PolarHBondContact O-N 3.36Å; E173-Y177 VanDerWaalsContact O-N 3.14Å; V174-Y177 PolarHBondContact O-N 2.99Å; Y175-Y177 VanDerWaalsContact C-N 3.3Å; Y175-Y177 PolarHBondContact O-N 3.35Å; Y177-I179 PolarHBondContact O-N 3.03Å; Y177-K180 WeakPolarHBondContact O-CB 3.48Å; Y177-K180 PolarHBondContact O-N 3.21Å; Y177-K181 HydrophobicContact CE1-CB 4.46Å; Y177-K181 HydrophobicContact CE1-CD 3.88Å; Y177-K181 PolarHBondContact O-N 3.39Å; Y177-K181 PolarHBondContact OH-NZ 2.86Å
178W94.3Very high90.7Very high0 Ų067.4 Ų67.40%032%0.323CS..Hα-helixtrans-59.6-48.3-178.416975.4000112.9I143 L146 E147 V155 V174 Y175 K180 K181 R182 L190I143-W178 HydrophobicContact CD1-CB 3.76Å; I143-W178 HydrophobicContact CD1-CG 4.09Å; L146-W178 HydrophobicContact CB-CD2 3.89Å; L146-W178 HydrophobicContact CB-CE3 4.27Å; L146-W178 HydrophobicContact CB-CG 4.4Å; L146-W178 HydrophobicContact CB-CH2 4.03Å; L146-W178 HydrophobicContact CB-CZ2 3.67Å; L146-W178 HydrophobicContact CB-CZ3 4.35Å; L146-W178 HydrophobicContact CD1-CB 4.25Å; L146-W178 HydrophobicContact CD1-CD2 3.92Å; L146-W178 HydrophobicContact CD1-CE3 4.06Å; L146-W178 HydrophobicContact CD1-CG 4.02Å; L146-W178 HydrophobicContact CD2-CZ3 4.44Å; L146-W178 HydrophobicContact CG-CD2 4.46Å; L146-W178 WeakPolarHBondContact O-CZ2 3.48Å; E147-W178 WeakPolarHBondContact OE1-CZ2 3.41Å; E147-W178 PolarHBondContact OE1-NE1 3.03Å; V155-W178 HydrophobicContact CB-CH2 3.72Å; V155-W178 HydrophobicContact CB-CZ3 4.05Å; V155-W178 HydrophobicContact CG2-CH2 3.8Å; V174-W178 VanDerWaalsContact O-CB 3.3Å; V174-W178 WeakPolarHBondContact O-CB 3.32Å; V174-W178 PolarHBondContact O-N 3Å; Y175-W178 HydrophobicContact CD2-CE3 4.05Å; Y175-W178 HydrophobicContact CD2-CZ3 4.12Å; Y175-W178 HydrophobicContact CE2-CE3 4.27Å; Y175-W178 AromaticContact CE2-CZ3 3.96Å; Y175-W178 HydrophobicContact CE2-CZ3 3.96Å; Y175-W178 PolarHBondContact O-N 3.2Å; W178-K180 PolarHBondContact O-N 2.78Å; W178-K181 PolarHBondContact O-N 2.93Å; W178-K181 VanDerWaalsContact O-N 3.13Å; W178-R182 WeakPolarHBondContact O-CB 3.21Å; W178-R182 PolarHBondContact O-N 2.88Å; W178-L190 VanDerWaalsContact CD1-CD1 3.49Å
179I92.6Very high90.5Very high8 Ų865.1 Ų65.14%0.04131%0.314CS..Hα-helixtrans-66.2-30.1-178.7-165.957.9000111.6P154 Y175 Y177 K183P154-I179 HydrophobicContact CB-CD1 3.65Å; Y175-I179 HydrophobicContact CD1-CG2 4.46Å; Y175-I179 HydrophobicContact CE1-CG2 4.18Å; Y175-I179 WeakPolarHBondContact O-CB 3.33Å; Y175-I179 VanDerWaalsContact O-CG2 3.26Å; Y175-I179 WeakPolarHBondContact O-CG2 3.38Å; Y175-I179 PolarHBondContact O-N 2.88Å; Y177-I179 PolarHBondContact O-N 3.03Å; I179-K183 HydrophobicContact CG1-CD 4.43Å; I179-K183 WeakPolarHBondContact O-CB 3.43Å; I179-K183 VanDerWaalsContact O-CD 3.31Å; I179-K183 WeakPolarHBondContact O-CD 3.44Å; I179-K183 WeakPolarHBondContact O-CG 3.38Å; I179-K183 PolarHBondContact O-N 3.29Å; I179-K183 VanDerWaalsContact O-N 3.08Å
180K93.7Very high90.3Very high108 Ų10860.4 Ų60.447%0.4729%0.292SS..Hα-helixtrans-69.1-49170.2178.1-162.7168-131.40110.9E120 E176 Y177 W178 R182 K183 N184E120-K180 IonicContact OE1-NZ 2.74Å; E176-K180 WeakPolarHBondContact O-CB 3.38Å; E176-K180 PolarHBondContact O-N 3.4Å; Y177-K180 WeakPolarHBondContact O-CB 3.48Å; Y177-K180 PolarHBondContact O-N 3.21Å; W178-K180 PolarHBondContact O-N 2.78Å; K180-R182 VanDerWaalsContact C-N 3.33Å; K180-R182 PolarHBondContact O-N 2.89Å; K180-K183 PolarHBondContact O-N 3.38Å; K180-N184 PolarHBondContact O-N 3.03Å
181K92.5Very high90.1Very high17 Ų1762.6 Ų62.67%0.07430%0.303CS..Hα-helixtrans-57.2-46.7178.4-162.1179.6-166.3171.30111Y115 D118 D121 Y177 W178 K183 N184 C185 L190Y115-K181 PolarHBondContact OH-NZ 2.93Å; D118-K181 IonicContact OD1-NZ 2.8Å; D118-K181 PolarHBondContact OD1-NZ 3.41Å; D118-K181 WeakPolarHBondContact OD2-CE 3.49Å; D118-K181 IonicContact OD2-NZ 3.05Å; D118-K181 PolarHBondContact OD2-NZ 3.13Å; D121-K181 IonicContact OD1-NZ 2.7Å; D121-K181 PolarHBondContact OD1-NZ 2.98Å; D121-K181 IonicContact OD2-NZ 2.72Å; D121-K181 PolarHBondContact OD2-NZ 3.04Å; Y177-K181 HydrophobicContact CE1-CB 4.46Å; Y177-K181 HydrophobicContact CE1-CD 3.88Å; Y177-K181 PolarHBondContact O-N 3.39Å; Y177-K181 PolarHBondContact OH-NZ 2.86Å; W178-K181 PolarHBondContact O-N 2.93Å; W178-K181 VanDerWaalsContact O-N 3.13Å; K181-K183 PolarHBondContact O-N 3.1Å; K181-N184 CarbonylContact O-C 3.5Å; K181-N184 WeakPolarHBondContact O-CB 3.26Å; K181-N184 PolarHBondContact O-N 3.01Å; K181-N184 VanDerWaalsContact O-N 3.12Å; K181-C185 PolarHBondContact O-N 3.36Å; K181-L190 HydrophobicContact CB-CD2 4.29Å; K181-L190 HydrophobicContact CD-CD1 4.25Å; K181-L190 HydrophobicContact CD-CD2 4.21Å; K181-L190 HydrophobicContact CG-CD2 3.88Å
182R89.3Confident89.8Confident32 Ų3268.5 Ų68.512%0.12134%0.342CS..Hα-helixtrans-74.3-23.3-179.7-168.8-101.7-77.5-116.5-21.8114.2S150 W178 K180 L190S150-R182 VanDerWaalsContact OG-CZ 3.25Å; S150-R182 PolarHBondContact OG-NH1 3.1Å; S150-R182 PolarHBondContact OG-NH2 3.38Å; W178-R182 WeakPolarHBondContact O-CB 3.21Å; W178-R182 PolarHBondContact O-N 2.88Å; K180-R182 VanDerWaalsContact C-N 3.33Å; K180-R182 PolarHBondContact O-N 2.89Å; R182-L190 HydrophobicContact CB-CD1 4.43Å; R182-L190 HydrophobicContact CB-CD2 3.98Å; R182-L190 HydrophobicContact CB-CG 4.12Å; R182-L190 HydrophobicContact CG-CD2 4.43Å; R182-L190 HydrophobicContact CG-CG 4.35Å
183K89.1Confident89.5Confident156 Ų15667.9 Ų67.968%0.67835%0.353SS*.Hα-helixtrans-71.6-29.2165.9-79.3166.6-177164.50112.9I179 K180 K181I179-K183 HydrophobicContact CG1-CD 4.43Å; I179-K183 WeakPolarHBondContact O-CB 3.43Å; I179-K183 VanDerWaalsContact O-CD 3.31Å; I179-K183 WeakPolarHBondContact O-CD 3.44Å; I179-K183 WeakPolarHBondContact O-CG 3.38Å; I179-K183 PolarHBondContact O-N 3.29Å; I179-K183 VanDerWaalsContact O-N 3.08Å; K180-K183 PolarHBondContact O-N 3.38Å; K181-K183 PolarHBondContact O-N 3.1Å
184N90.4Very high89.2Confident112 Ų11268.6 Ų68.660%0.59936%0.362SS*.Hα-helixtrans-83-22.5175.9-69.7-9.7000112.8K180 K181K180-N184 PolarHBondContact O-N 3.03Å; K181-N184 CarbonylContact O-C 3.5Å; K181-N184 WeakPolarHBondContact O-CB 3.26Å; K181-N184 PolarHBondContact O-N 3.01Å; K181-N184 VanDerWaalsContact O-N 3.12Å
185C86Confident88.9Confident48 Ų4874 Ų7432%0.32439%0.386SS..  trans-62.8138.2176-1690000111.4K181 G187 S189 L190K181-C185 PolarHBondContact O-N 3.36Å; C185-G187 PolarHBondContact SG-N 2.98Å; C185-S189 PolarHBondContact SG-O 3.17Å; C185-L190 HydrophobicContact CB-CD2 4.08Å
186R78.9Confident88.5Confident255 Ų25579 Ų7996%0.96241%0.41SS*.SBendtrans-87.9-9.5174.6-63179.8-178.7-93.41.9113.1
187G77.9Confident87.9Confident38 Ų3877 Ų7739%0.39240%0.401SS..SBendtrans-96.5173178.200000113C185 S189C185-G187 PolarHBondContact SG-N 2.98Å; G187-S189 VanDerWaalsContact C-N 3.27Å; G187-S189 PolarHBondContact O-N 3.34Å
188P79.4Confident87.2Confident108 Ų10883 Ų8370%0.70143%0.427SS*.SBendtrans-76.5-11.4178.232.7-36.2000114.1
189S86.6Confident86.1Confident32 Ų3294.7 Ų94.722%0.22447%0.471CS..SBendtrans-147.5164179.9172.70000108.5E147 C185 G187 I191E147-S189 VanDerWaalsContact OE2-CA 3.25Å; E147-S189 WeakPolarHBondContact OE2-CA 3.38Å; E147-S189 VanDerWaalsContact OE2-CB 3.31Å; E147-S189 WeakPolarHBondContact OE2-CB 3.21Å; E147-S189 PolarHBondContact OE2-OG 2.89Å; C185-S189 PolarHBondContact SG-O 3.17Å; G187-S189 VanDerWaalsContact C-N 3.27Å; G187-S189 PolarHBondContact O-N 3.34Å; S189-I191 PolarHBondContact OG-N 3Å; S189-I191 VanDerWaalsContact OG-N 3.15Å
190L89.4Confident85Confident25 Ų25100.2 Ų100.213%0.13150%0.501CS..SBendtrans-71.1-30.7167.3-63.3177.4000112.5Y115 I143 E147 W178 K181 R182 C185 P192Y115-L190 HydrophobicContact CE2-CB 3.79Å; Y115-L190 HydrophobicContact CE2-CD1 4.32Å; I143-L190 HydrophobicContact CG2-CD1 4.18Å; E147-L190 HydrophobicContact CG-CB 4.31Å; E147-L190 HydrophobicContact CG-CD1 4.29Å; E147-L190 HydrophobicContact CG-CG 4.46Å; E147-L190 PolarHBondContact OE2-N 3.23Å; W178-L190 VanDerWaalsContact CD1-CD1 3.49Å; K181-L190 HydrophobicContact CB-CD2 4.29Å; K181-L190 HydrophobicContact CD-CD1 4.25Å; K181-L190 HydrophobicContact CD-CD2 4.21Å; K181-L190 HydrophobicContact CG-CD2 3.88Å; R182-L190 HydrophobicContact CB-CD1 4.43Å; R182-L190 HydrophobicContact CB-CD2 3.98Å; R182-L190 HydrophobicContact CB-CG 4.12Å; R182-L190 HydrophobicContact CG-CD2 4.43Å; R182-L190 HydrophobicContact CG-CG 4.35Å; C185-L190 HydrophobicContact CB-CD2 4.08Å; L190-P192 WeakPolarHBondContact O-CD 3.1Å
191I89Confident83.6Confident51 Ų5198.3 Ų98.326%0.26251%0.511SS..SBendtrans-77.7122.7-178.5-60.7170.6000109.7D114 Y115 S189 S193D114-I191 HydrophobicContact CB-CD1 4.03Å; D114-I191 WeakPolarHBondContact O-CD1 3.47Å; Y115-I191 HydrophobicContact CD2-CD1 4.38Å; Y115-I191 HydrophobicContact CD2-CG1 3.78Å; Y115-I191 HydrophobicContact CE2-CG1 4.49Å; S189-I191 PolarHBondContact OG-N 3Å; S189-I191 VanDerWaalsContact OG-N 3.15Å; I191-S193 PolarHBondContact O-N 3.49Å
192P87.8Confident82.5Confident129 Ų129100.4 Ų100.484%0.83853%0.528SS*.  trans-62.4117.6175.5-22.534.5000111.3L190L190-P192 WeakPolarHBondContact O-CD 3.1Å
193S87.1Confident81.3Confident86 Ų86103.5 Ų103.560%0.60156%0.555SS**  trans-115.5138.2-176.741.60000112.1I191 K195I191-S193 PolarHBondContact O-N 3.49Å; S193-K195 PolarHBondContact O-N 3.38Å
194V89.1Confident80.3Confident84 Ų8498 Ų9851%0.50954%0.535SS..PPolyproline II helixtrans-66.1127.4176.7-178.40000109.6Q196 A210 F211V194-Q196 PolarHBondContact O-N 2.94Å; V194-A210 HydrophobicContact CG1-CB 3.83Å; V194-F211 HydrophobicContact CB-CD2 4.49Å; V194-F211 HydrophobicContact CB-CE2 4.42Å; V194-F211 HydrophobicContact CG1-CD2 3.85Å; V194-F211 HydrophobicContact CG1-CE2 3.89Å; V194-F211 HydrophobicContact CG2-CE2 4.36Å
195K88.2Confident79.9Confident114 Ų114100.6 Ų100.650%0.49655%0.548SS..PPolyproline II helixtrans-67116.5-175.7-163.9178.5-169.6171.80110.4S193 D206 V209 A210S193-K195 PolarHBondContact O-N 3.38Å; K195-D206 VanDerWaalsContact CE-OD2 3.31Å; K195-D206 WeakPolarHBondContact CE-OD2 3.45Å; K195-D206 IonicContact NZ-OD2 3.96Å; K195-D206 PolarHBondContact NZ-OD2 3.49Å; K195-V209 HydrophobicContact CD-CG2 3.98Å; K195-V209 HydrophobicContact CG-CG2 4.08Å; K195-V209 WeakPolarHBondContact O-CA 3.3Å; K195-A210 PolarHBondContact O-N 3.24Å
196Q86.2Confident79.9Confident130 Ų130100.2 Ų100.261%0.60754%0.543SS*.PPolyproline II helixtrans-95158.5177.9-63-173.913.900111.8V194V194-Q196 PolarHBondContact O-N 2.94Å
197E83.9Confident80.4Confident67 Ų6793.8 Ų93.831%0.31353%0.534SS..PPolyproline II helixtrans-67130.2174.7-175.9164.2-115.600110.8V209 R212E197-V209 HydrophobicContact CB-CG1 3.86Å; E197-R212 HydrophobicContact CB-CG 4.19Å; E197-R212 WeakPolarHBondContact OE1-CD 3.32Å; E197-R212 IonicContact OE1-CZ 2.73Å; E197-R212 IonicContact OE1-NE 2.8Å; E197-R212 IonicContact OE1-NH1 3.52Å; E197-R212 PolarHBondContact OE1-NH1 2.81Å
198K80.2Confident81Confident142 Ų142100.6 Ų100.662%0.61755%0.55SS*.PPolyproline II helixtrans-65.6139.8176.9-69.5-168.6174.8-170.60110.4D200 G201K198-D200 WeakPolarHBondContact CB-OD2 3.32Å; K198-D200 WeakPolarHBondContact CD-OD2 3.33Å; K198-D200 PolarHBondContact O-N 3.09Å; K198-G201 PolarHBondContact O-N 3.43Å
199R70.4Confident81.5Confident246 Ų24696 Ų9693%0.92852%0.52SS*.THydrogen-bonded Turntrans-58.8-19.8179.2-169.9178.5-66.4178.52.1113.2G201R199-G201 PolarHBondContact O-N 2.92Å
200D69.9Low81.6Confident125 Ų12596.2 Ų96.267%0.66852%0.523SS*.THydrogen-bonded Turntrans-64.2-4.8-178.2-39.3-38.3000114.2K198 S202K198-D200 WeakPolarHBondContact CB-OD2 3.32Å; K198-D200 WeakPolarHBondContact CD-OD2 3.33Å; K198-D200 PolarHBondContact O-N 3.09Å; D200-S202 PolarHBondContact O-N 3.3Å
201G63.8Low81.5Confident67 Ų67102.9 Ų102.969%0.69155%0.551SS**  trans74.56.9171.600000115.2K198 R199 S203K198-G201 PolarHBondContact O-N 3.43Å; R199-G201 PolarHBondContact O-N 2.92Å; G201-S203 PolarHBondContact O-N 2.83Å
202S70.5Confident81.3Confident62 Ų62104.2 Ų104.243%0.43455%0.553SS.*  trans-72120.9174.2480000110.7D200 T204D200-S202 PolarHBondContact O-N 3.3Å; S202-T204 VanDerWaalsContact C-N 3.32Å; S202-T204 PolarHBondContact O-N 2.86Å
203S63.3Low80.9Confident96 Ų96107.2 Ų107.267%0.67155%0.548SS*.  trans-6988177.457.20000110.4G201 N205G201-S203 PolarHBondContact O-N 2.83Å; S203-N205 PolarHBondContact O-N 3Å
204T67.5Low80.3Confident42 Ų42114 Ų11426%0.25856%0.56SS.*  trans-67.8113.2175.242.50000110S202 D206 R212S202-T204 VanDerWaalsContact C-N 3.32Å; S202-T204 PolarHBondContact O-N 2.86Å; T204-D206 PolarHBondContact O-N 2.92Å; T204-R212 PolarHBondContact O-NH1 2.92Å; T204-R212 PolarHBondContact O-NH2 3.23Å; T204-R212 PolarHBondContact OG1-NH1 2.88Å
205N82.3Confident79Confident165 Ų165115.2 Ų115.288%0.88257%0.568SS**  trans-78.336.4170.2-68.5-15.8000111.6S203S203-N205 PolarHBondContact O-N 3Å
206D86.8Confident77.5Confident40 Ų40116.6 Ų116.621%0.21458%0.576CS.*  trans-97.1119.3-174.8-178.4-20.5000108.9K195 T204 Y208 V209K195-D206 VanDerWaalsContact CE-OD2 3.31Å; K195-D206 WeakPolarHBondContact CE-OD2 3.45Å; K195-D206 IonicContact NZ-OD2 3.96Å; K195-D206 PolarHBondContact NZ-OD2 3.49Å; T204-D206 PolarHBondContact O-N 2.92Å; D206-Y208 PolarHBondContact O-N 2.74Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.47Å; D206-Y208 PolarHBondContact OD1-N 3.02Å; D206-V209 HydrophobicContact CB-CB 4.5Å; D206-V209 HydrophobicContact CB-CG2 3.76Å; D206-V209 PolarHBondContact O-N 3.01Å; D206-V209 VanDerWaalsContact O-N 3.12Å
207P89.9Confident76.2Confident121 Ų121119.1 Ų119.179%0.78659%0.585SS**THydrogen-bonded Turntrans-67-18.2-175.828.2-35.5000113.2V209P207-V209 VanDerWaalsContact C-N 3.3Å
208Y90.1Very high74.7Confident181 Ų181123.8 Ų123.871%0.7161%0.609SS**THydrogen-bonded Turntrans-81-8.2176.2-65.2-82.7000113.2D206 A210D206-Y208 PolarHBondContact O-N 2.74Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.47Å; D206-Y208 PolarHBondContact OD1-N 3.02Å; Y208-A210 PolarHBondContact O-N 3.4Å; Y208-A210 VanDerWaalsContact O-N 3.16Å
209V89.8Confident73.8Confident12 Ų12125.6 Ų125.67%0.07362%0.62CS.*  trans-84.191.6-177.9178.20000111.5K195 E197 D206 P207 R212K195-V209 HydrophobicContact CD-CG2 3.98Å; K195-V209 HydrophobicContact CG-CG2 4.08Å; K195-V209 WeakPolarHBondContact O-CA 3.3Å; E197-V209 HydrophobicContact CB-CG1 3.86Å; D206-V209 HydrophobicContact CB-CB 4.5Å; D206-V209 HydrophobicContact CB-CG2 3.76Å; D206-V209 PolarHBondContact O-N 3.01Å; D206-V209 VanDerWaalsContact O-N 3.12Å; P207-V209 VanDerWaalsContact C-N 3.3Å; V209-R212 HydrophobicContact CG1-CG 4.24Å; V209-R212 PolarHBondContact O-NE 3.2Å
210A88.6Confident73.1Confident36 Ų36119.8 Ų119.830%0.29861%0.612SS.*  trans-98176.9-179.200000113.1V194 K195 Y208 R212V194-A210 HydrophobicContact CG1-CB 3.83Å; K195-A210 PolarHBondContact O-N 3.24Å; Y208-A210 PolarHBondContact O-N 3.4Å; Y208-A210 VanDerWaalsContact O-N 3.16Å; A210-R212 PolarHBondContact O-N 3.23Å
211F88.1Confident72.5Confident164 Ų164124.6 Ų124.672%0.71962%0.62SS**SBendtrans48.636.2173.3-51.7-60.2000115.3V194 R213V194-F211 HydrophobicContact CB-CD2 4.49Å; V194-F211 HydrophobicContact CB-CE2 4.42Å; V194-F211 HydrophobicContact CG1-CD2 3.85Å; V194-F211 HydrophobicContact CG1-CE2 3.89Å; V194-F211 HydrophobicContact CG2-CE2 4.36Å; F211-R213 PolarHBondContact O-N 3.06Å
212R84.9Confident72.4Confident80 Ų80131.3 Ų131.330%0.30263%0.631SS.*  trans-56.1124.8-176.8-62.6-171.4-172.7-132.56.3111.1E197 T204 V209 A210 R214E197-R212 HydrophobicContact CB-CG 4.19Å; E197-R212 WeakPolarHBondContact OE1-CD 3.32Å; E197-R212 IonicContact OE1-CZ 2.73Å; E197-R212 IonicContact OE1-NE 2.8Å; E197-R212 IonicContact OE1-NH1 3.52Å; E197-R212 PolarHBondContact OE1-NH1 2.81Å; T204-R212 PolarHBondContact O-NH1 2.92Å; T204-R212 PolarHBondContact O-NH2 3.23Å; T204-R212 PolarHBondContact OG1-NH1 2.88Å; V209-R212 HydrophobicContact CG1-CG 4.24Å; V209-R212 PolarHBondContact O-NE 3.2Å; A210-R212 PolarHBondContact O-N 3.23Å; R212-R214 PolarHBondContact O-N 2.58Å
213R78.4Confident71.9Confident191 Ų191136 Ų13672%0.72165%0.651SS**  trans-78.268.2-178.2-59.1-171.376.31786.6110.7F211 T215F211-R213 PolarHBondContact O-N 3.06Å; R213-T215 PolarHBondContact O-N 2.81Å
214R75.3Confident72Confident228 Ų228141 Ų14186%0.8666%0.655SS**  trans-60.191164-69.1-173.1-178.1179.73108R212 E216R212-R214 PolarHBondContact O-N 2.58Å; R214-E216 VanDerWaalsContact C-N 3.3Å; R214-E216 PolarHBondContact O-N 2.97Å
215T61.1Low72Confident110 Ų110147 Ų14768%0.67568%0.677SS**  trans-69.495.7166.746.40000107.3R213 K217R213-T215 PolarHBondContact O-N 2.81Å; T215-K217 VanDerWaalsContact C-N 3.31Å; T215-K217 PolarHBondContact O-N 3.03Å
216E57Low71.5Confident144 Ų144145.4 Ų145.467%0.67367%0.669SS**  trans-48.8112.4143.1-175.7-178.9-120.800104.7R214 M218 Q644R214-E216 VanDerWaalsContact C-N 3.3Å; R214-E216 PolarHBondContact O-N 2.97Å; E216-M218 VanDerWaalsContact C-N 3.29Å; E216-M218 PolarHBondContact O-N 2.9Å; E216-Q644 PolarHBondContact OE1-NE2 2.89Å
217K59.5Low71.3Confident183 Ų183147.6 Ų147.680%0.79668%0.681SS**  trans-65.494.6-168.9-72.1-179.5179.3176.40107.2T215 Q219T215-K217 VanDerWaalsContact C-N 3.31Å; T215-K217 PolarHBondContact O-N 3.03Å; K217-Q219 VanDerWaalsContact C-N 3.31Å; K217-Q219 VanDerWaalsContact O-CA 3.23Å; K217-Q219 WeakPolarHBondContact O-CA 3.4Å; K217-Q219 WeakPolarHBondContact O-CB 3.46Å; K217-Q219 PolarHBondContact O-N 2.82Å
218M51.4Low71.3Confident164 Ų164149.3 Ų149.381%0.80868%0.678SS**  trans-55.596.4-168.8-170.2-174.478.400108.9E216 T220E216-M218 VanDerWaalsContact C-N 3.29Å; E216-M218 PolarHBondContact O-N 2.9Å; M218-T220 PolarHBondContact O-N 3.02Å
219Q61.6Low71.3Confident181 Ų181143 Ų14385%0.84666%0.664SS**  trans-79.298.4-154.4-157.61723100107.4K217 R221K217-Q219 VanDerWaalsContact C-N 3.31Å; K217-Q219 VanDerWaalsContact O-CA 3.23Å; K217-Q219 WeakPolarHBondContact O-CA 3.4Å; K217-Q219 WeakPolarHBondContact O-CB 3.46Å; K217-Q219 PolarHBondContact O-N 2.82Å; Q219-R221 PolarHBondContact O-N 3.42Å
220T55.3Low71.3Confident124 Ų124144.2 Ų144.276%0.76167%0.672SS**  trans-57.6100.7-168.639.20000109.4M218 K222M218-T220 PolarHBondContact O-N 3.02Å; T220-K222 PolarHBondContact O-N 3.03Å; T220-K222 VanDerWaalsContact O-N 3.09Å
221R57.6Low71.5Confident226 Ų226148.1 Ų148.185%0.85368%0.68SS**  trans-55.4121.4-177.1-71.1-174.7175.6-169.40.7108Q219 N223Q219-R221 PolarHBondContact O-N 3.42Å; R221-N223 PolarHBondContact O-N 3.01Å; R221-N223 VanDerWaalsContact O-N 3.13Å
222K61.9Low71.8Confident208 Ų208145.9 Ų145.990%0.90467%0.672SS**THydrogen-bonded Turntrans-24.7111.1-179.1-72.5-174.9173.3-171.30112T220 R224T220-K222 PolarHBondContact O-N 3.03Å; T220-K222 VanDerWaalsContact O-N 3.09Å; K222-R224 PolarHBondContact O-N 2.99Å; K222-R224 VanDerWaalsContact O-N 3.09Å
223N59.3Low72.3Confident161 Ų161149.2 Ų149.286%0.86169%0.689SS**THydrogen-bonded Turntrans13.380.3178.3-83.4-8.2000113.8R221 K225R221-N223 PolarHBondContact O-N 3.01Å; R221-N223 VanDerWaalsContact O-N 3.13Å; N223-K225 VanDerWaalsContact C-N 3.35Å; N223-K225 PolarHBondContact O-N 2.64Å
224R65Low73.1Confident200 Ų200144.8 Ų144.876%0.75568%0.677SS**  trans-56.1105.3162.4178.7178.7179.4-179.6-2.2106.5K222K222-R224 PolarHBondContact O-N 2.99Å; K222-R224 VanDerWaalsContact O-N 3.09Å
225K68.8Low74.2Confident168 Ų168135.9 Ų135.973%0.7365%0.647SS**  trans-58.4147.7173.6-68.5-171174.7-171.20108.1N223 D227N223-K225 VanDerWaalsContact C-N 3.35Å; N223-K225 PolarHBondContact O-N 2.64Å; K225-D227 PolarHBondContact O-N 2.89Å
226N71.1Confident75.9Confident131 Ų131137 Ų13770%0.70164%0.642SS**  trans-75.184173.9-171.925.6000108E228N226-E228 PolarHBondContact O-N 3.39Å
227D82.5Confident77.8Confident87 Ų87135.1 Ų135.147%0.46564%0.636SS.*  trans-64130.7-175.9-54.9-44.1000109.4K225 A229 S230 Y231K225-D227 PolarHBondContact O-N 2.89Å; D227-A229 VanDerWaalsContact C-N 3.33Å; D227-A229 PolarHBondContact O-N 3.46Å; D227-S230 WeakPolarHBondContact O-CA 3.39Å; D227-S230 WeakPolarHBondContact O-CB 3.21Å; D227-S230 PolarHBondContact O-N 3.42Å; D227-S230 PolarHBondContact O-OG 3.47Å; D227-Y231 PolarHBondContact O-N 3.2Å
228E90.4Very high79.7Confident157 Ų157134.8 Ų134.873%0.73463%0.63SS**Hα-helixtrans-51.9-48.1-176.8-177.4168.3-145.900112.4N226 S230 Y231 E232N226-E228 PolarHBondContact O-N 3.39Å; E228-S230 PolarHBondContact O-N 3.42Å; E228-Y231 CarbonylContact O-C 3.37Å; E228-Y231 WeakPolarHBondContact O-CA 3.31Å; E228-Y231 WeakPolarHBondContact O-CB 3.36Å; E228-Y231 PolarHBondContact O-N 2.83Å; E228-E232 PolarHBondContact O-N 3.37Å
229A90.5Very high81.9Confident49 Ų49134.7 Ų134.741%0.40562%0.621SS.*Hα-helixtrans-62.5-10.1175.300000114.9D227 K233D227-A229 VanDerWaalsContact C-N 3.33Å; D227-A229 PolarHBondContact O-N 3.46Å; A229-K233 WeakPolarHBondContact O-CD 3.45Å; A229-K233 WeakPolarHBondContact O-CE 3.43Å; A229-K233 WeakPolarHBondContact O-CG 3.34Å
230S89.7Confident83.6Confident36 Ų36129.4 Ų129.425%0.25260%0.598SS.*Hα-helixtrans-91.7-34.2169.677.40000112.4D227 E228 K233 M234D227-S230 WeakPolarHBondContact O-CA 3.39Å; D227-S230 WeakPolarHBondContact O-CB 3.21Å; D227-S230 PolarHBondContact O-N 3.42Å; D227-S230 PolarHBondContact O-OG 3.47Å; E228-S230 PolarHBondContact O-N 3.42Å; S230-K233 PolarHBondContact O-N 3.34Å; S230-M234 PolarHBondContact O-N 2.95Å
231Y92Very high85.6Confident118 Ų118128.4 Ų128.446%0.46359%0.587SS.*Hα-helixtrans-67.3-41.4170.2179.1-110000111.8D227 E228 K233 M234 L235D227-Y231 PolarHBondContact O-N 3.2Å; E228-Y231 CarbonylContact O-C 3.37Å; E228-Y231 WeakPolarHBondContact O-CA 3.31Å; E228-Y231 WeakPolarHBondContact O-CB 3.36Å; E228-Y231 PolarHBondContact O-N 2.83Å; Y231-K233 VanDerWaalsContact C-N 3.34Å; Y231-K233 PolarHBondContact O-N 3.18Å; Y231-M234 HydrophobicContact CD2-CE 3.58Å; Y231-M234 HydrophobicContact CE2-CE 3.49Å; Y231-M234 VanDerWaalsContact CE2-CE 3.49Å; Y231-M234 WeakPolarHBondContact O-CB 3.16Å; Y231-M234 PolarHBondContact O-N 3.33Å; Y231-L235 HydrophobicContact CD1-CD1 4.05Å; Y231-L235 HydrophobicContact CD1-CG 4.49Å; Y231-L235 HydrophobicContact CE1-CD1 3.55Å; Y231-L235 HydrophobicContact CE1-CG 4.17Å; Y231-L235 HydrophobicContact CE2-CD2 4.48Å; Y231-L235 HydrophobicContact CE2-CG 4.42Å; Y231-L235 WeakPolarHBondContact O-CG 3.2Å; Y231-L235 PolarHBondContact O-N 2.88Å
232E94.9Very high87.5Confident117 Ų117120.7 Ų120.755%0.54757%0.568SS.*Hα-helixtrans-57.2-45171.4-68.8-173.6125.400112.3E228 M234 L235 K236E228-E232 PolarHBondContact O-N 3.37Å; E232-M234 VanDerWaalsContact C-N 3.33Å; E232-M234 PolarHBondContact O-N 3.17Å; E232-L235 PolarHBondContact O-N 3.35Å; E232-K236 PolarHBondContact O-N 2.68Å
233K95.6Very high89.2Confident150 Ų150118.8 Ų118.865%0.65256%0.555SS**Hα-helixtrans-64.5-37.5177.4-73.5170.6-168.61740111.8A229 S230 Y231 K236 L237A229-K233 WeakPolarHBondContact O-CD 3.45Å; A229-K233 WeakPolarHBondContact O-CE 3.43Å; A229-K233 WeakPolarHBondContact O-CG 3.34Å; S230-K233 PolarHBondContact O-N 3.34Å; Y231-K233 VanDerWaalsContact C-N 3.34Å; Y231-K233 PolarHBondContact O-N 3.18Å; K233-K236 PolarHBondContact O-N 2.9Å; K233-L237 VanDerWaalsContact O-CB 3.31Å; K233-L237 WeakPolarHBondContact O-CB 3.2Å; K233-L237 PolarHBondContact O-N 3.35Å
234M95.4Very high91Very high98 Ų98113.1 Ų113.148%0.48353%0.531SS..Hα-helixtrans-64.1-43.4171.5-175.2-153.371.300111.7S230 Y231 E232 L237 R238S230-M234 PolarHBondContact O-N 2.95Å; Y231-M234 HydrophobicContact CD2-CE 3.58Å; Y231-M234 HydrophobicContact CE2-CE 3.49Å; Y231-M234 VanDerWaalsContact CE2-CE 3.49Å; Y231-M234 WeakPolarHBondContact O-CB 3.16Å; Y231-M234 PolarHBondContact O-N 3.33Å; E232-M234 VanDerWaalsContact C-N 3.33Å; E232-M234 PolarHBondContact O-N 3.17Å; M234-L237 PolarHBondContact O-N 3.24Å; M234-R238 WeakPolarHBondContact O-CB 3.27Å; M234-R238 PolarHBondContact O-N 3.09Å
235L96.9Very high92.6Very high42 Ų42105.4 Ų105.422%0.2251%0.506CS..Hα-helixtrans-65.7-37.1176.1-70.7-179.2000112.5Y231 E232 R239Y231-L235 HydrophobicContact CD1-CD1 4.05Å; Y231-L235 HydrophobicContact CD1-CG 4.49Å; Y231-L235 HydrophobicContact CE1-CD1 3.55Å; Y231-L235 HydrophobicContact CE1-CG 4.17Å; Y231-L235 HydrophobicContact CE2-CD2 4.48Å; Y231-L235 HydrophobicContact CE2-CG 4.42Å; Y231-L235 WeakPolarHBondContact O-CG 3.2Å; Y231-L235 PolarHBondContact O-N 2.88Å; E232-L235 PolarHBondContact O-N 3.35Å; L235-R239 WeakPolarHBondContact O-CG 3.17Å; L235-R239 PolarHBondContact O-N 2.92Å; L235-R239 VanDerWaalsContact O-N 3.17Å
236K97.3Very high93.9Very high134 Ų134101.3 Ų101.358%0.58350%0.495SS*.Hα-helixtrans-63.6-51.9171.4-179.6173.7178.7-179.30110.7E232 K233 R238 R239 D240E232-K236 PolarHBondContact O-N 2.68Å; K233-K236 PolarHBondContact O-N 2.9Å; K236-R238 VanDerWaalsContact C-N 3.28Å; K236-R238 PolarHBondContact O-N 3.09Å; K236-R239 WeakPolarHBondContact O-CB 3.36Å; K236-R239 PolarHBondContact O-N 2.83Å; K236-D240 WeakPolarHBondContact CE-OD2 3.38Å; K236-D240 VanDerWaalsContact CG-OD2 3.29Å; K236-D240 WeakPolarHBondContact CG-OD2 3.38Å; K236-D240 PolarHBondContact O-N 2.74Å
237L97.8Very high95.2Very high103 Ų10399.3 Ų99.354%0.53948%0.483SS..Hα-helixtrans-55.8-41.9178179.861.9000112K233 M234 D240 L241K233-L237 VanDerWaalsContact O-CB 3.31Å; K233-L237 WeakPolarHBondContact O-CB 3.2Å; K233-L237 PolarHBondContact O-N 3.35Å; M234-L237 PolarHBondContact O-N 3.24Å; L237-D240 PolarHBondContact O-N 2.86Å; L237-L241 HydrophobicContact CD1-CD1 3.96Å; L237-L241 HydrophobicContact CD1-CG 4.02Å; L237-L241 HydrophobicContact CG-CD1 3.92Å; L237-L241 HydrophobicContact CG-CG 4.39Å; L237-L241 WeakPolarHBondContact O-CB 3.28Å; L237-L241 VanDerWaalsContact O-CG 3.26Å; L237-L241 WeakPolarHBondContact O-CG 3.43Å; L237-L241 PolarHBondContact O-N 3.01Å
238R97.8Very high95.9Very high176 Ų17698.1 Ų98.166%0.66448%0.477SS*.Hα-helixtrans-58.4-48.4173.7-178.8179.2173.7-173.8-1.6111.7M234 K236 S242M234-R238 WeakPolarHBondContact O-CB 3.27Å; M234-R238 PolarHBondContact O-N 3.09Å; K236-R238 VanDerWaalsContact C-N 3.28Å; K236-R238 PolarHBondContact O-N 3.09Å; R238-S242 WeakPolarHBondContact O-CB 3.18Å; R238-S242 PolarHBondContact O-N 3.49Å; R238-S242 PolarHBondContact O-OG 2.7Å; R238-S242 VanDerWaalsContact O-OG 3.1Å
239R97.8Very high96.2Very high163 Ų16393.7 Ų93.762%0.61546%0.456SS*.Hα-helixtrans-63.4-42.7178.8-70172.2-176.9121.7-7.4112L235 K236 S242 R243L235-R239 WeakPolarHBondContact O-CG 3.17Å; L235-R239 PolarHBondContact O-N 2.92Å; L235-R239 VanDerWaalsContact O-N 3.17Å; K236-R239 WeakPolarHBondContact O-CB 3.36Å; K236-R239 PolarHBondContact O-N 2.83Å; R239-S242 PolarHBondContact O-N 2.97Å; R239-R243 WeakPolarHBondContact O-CB 3.45Å; R239-R243 PolarHBondContact O-N 3.04Å
240D97.9Very high96.6Very high70 Ų7097.1 Ų97.137%0.37447%0.465SS..Hα-helixtrans-70-38.3-178.6-67.9-21.6000111.5K236 L237 R243 A244K236-D240 WeakPolarHBondContact CE-OD2 3.38Å; K236-D240 VanDerWaalsContact CG-OD2 3.29Å; K236-D240 WeakPolarHBondContact CG-OD2 3.38Å; K236-D240 PolarHBondContact O-N 2.74Å; L237-D240 PolarHBondContact O-N 2.86Å; D240-R243 PolarHBondContact O-N 3.11Å; D240-A244 PolarHBondContact O-N 3.4Å
241L97.6Very high97Very high102 Ų10297.9 Ų97.953%0.53447%0.466SS..Hα-helixtrans-65.9-44.1170.9-72172.5000112.2L237 R243 A244 V245L237-L241 HydrophobicContact CD1-CD1 3.96Å; L237-L241 HydrophobicContact CD1-CG 4.02Å; L237-L241 HydrophobicContact CG-CD1 3.92Å; L237-L241 HydrophobicContact CG-CG 4.39Å; L237-L241 WeakPolarHBondContact O-CB 3.28Å; L237-L241 VanDerWaalsContact O-CG 3.26Å; L237-L241 WeakPolarHBondContact O-CG 3.43Å; L237-L241 PolarHBondContact O-N 3.01Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 3.02Å; L241-A244 PolarHBondContact O-N 3.05Å; L241-V245 WeakPolarHBondContact O-CG2 3.42Å; L241-V245 PolarHBondContact O-N 3.08Å
242S97.8Very high97.2Very high65 Ų6597.4 Ų97.446%0.45547%0.466SS..Hα-helixtrans-59.9-38.8174.3-66.40000112R238 R239 V245 T246R238-S242 WeakPolarHBondContact O-CB 3.18Å; R238-S242 PolarHBondContact O-N 3.49Å; R238-S242 PolarHBondContact O-OG 2.7Å; R238-S242 VanDerWaalsContact O-OG 3.1Å; R239-S242 PolarHBondContact O-N 2.97Å; S242-V245 PolarHBondContact O-N 3.17Å; S242-T246 PolarHBondContact O-N 3.48Å; S242-T246 PolarHBondContact O-OG1 2.74Å
243R97.8Very high97.4Very high168 Ų16898.9 Ų98.963%0.63447%0.467SS*.Hα-helixtrans-63.7-45.6173.9-172.7-168.3-62.8-97.72.3111.7R239 D240 L241 V245 T246 I247R239-R243 WeakPolarHBondContact O-CB 3.45Å; R239-R243 PolarHBondContact O-N 3.04Å; D240-R243 PolarHBondContact O-N 3.11Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 3.02Å; R243-V245 VanDerWaalsContact C-N 3.33Å; R243-V245 PolarHBondContact O-N 3Å; R243-T246 PolarHBondContact O-N 2.66Å; R243-I247 HydrophobicContact CG-CD1 4.15Å; R243-I247 WeakPolarHBondContact O-CG1 3.15Å; R243-I247 PolarHBondContact O-N 3.03Å
244A97.5Very high97.5Very high41 Ų4198.2 Ų98.234%0.33946%0.46SS..Hα-helixtrans-59.7-43.7176.700000111.7D240 L241 T246 I247 L248D240-A244 PolarHBondContact O-N 3.4Å; L241-A244 PolarHBondContact O-N 3.05Å; A244-T246 PolarHBondContact O-N 2.9Å; A244-I247 PolarHBondContact O-N 2.94Å; A244-L248 PolarHBondContact O-N 2.91Å
245V96.6Very high97.6Very high38 Ų3896.1 Ų96.123%0.2345%0.449CS..Hα-helixtrans-58.8-45.9174.2167.10000111.9L241 S242 R243 I247 L248 E249 H713 Q714L241-V245 WeakPolarHBondContact O-CG2 3.42Å; L241-V245 PolarHBondContact O-N 3.08Å; S242-V245 PolarHBondContact O-N 3.17Å; R243-V245 VanDerWaalsContact C-N 3.33Å; R243-V245 PolarHBondContact O-N 3Å; V245-I247 VanDerWaalsContact C-N 3.34Å; V245-I247 PolarHBondContact O-N 2.88Å; V245-L248 PolarHBondContact O-N 3.33Å; V245-E249 VanDerWaalsContact O-CB 3.28Å; V245-E249 WeakPolarHBondContact O-CB 3.42Å; V245-E249 PolarHBondContact O-N 2.9Å; V245-H713 WeakPolarHBondContact CA-NE2 3.36Å; V245-Q714 HydrophobicContact CG2-CG 4.13Å
246T97.6Very high97.7Very high83 Ų83100 Ų10051%0.50946%0.464SS..Hα-helixtrans-59.5-43.4176.1-52.90000112.1S242 R243 A244 M250S242-T246 PolarHBondContact O-N 3.48Å; S242-T246 PolarHBondContact O-OG1 2.74Å; R243-T246 PolarHBondContact O-N 2.66Å; A244-T246 PolarHBondContact O-N 2.9Å; T246-M250 WeakPolarHBondContact O-CG 3.46Å; T246-M250 PolarHBondContact O-N 2.93Å
247I97.9Very high97.7Very high88 Ų8896.8 Ų96.845%0.45146%0.459SS..Hα-helixtrans-65.2-44.4179.9-67.6164.3000111.2R243 A244 V245 M250 I251R243-I247 HydrophobicContact CG-CD1 4.15Å; R243-I247 WeakPolarHBondContact O-CG1 3.15Å; R243-I247 PolarHBondContact O-N 3.03Å; A244-I247 PolarHBondContact O-N 2.94Å; V245-I247 VanDerWaalsContact C-N 3.34Å; V245-I247 PolarHBondContact O-N 2.88Å; I247-M250 WeakPolarHBondContact O-CB 3.47Å; I247-M250 PolarHBondContact O-N 3.33Å; I247-I251 HydrophobicContact CG2-CD1 4.09Å; I247-I251 WeakPolarHBondContact O-CG1 3.08Å; I247-I251 PolarHBondContact O-N 3.18Å
248L96.8Very high97.7Very high63 Ų6397.1 Ų97.133%0.3346%0.456SS..Hα-helixtrans-74.4-30.5-178.5-82159.7000112.9A244 V245 I251 K252 H713A244-L248 PolarHBondContact O-N 2.91Å; V245-L248 PolarHBondContact O-N 3.33Å; L248-I251 HydrophobicContact CD2-CD1 4.05Å; L248-I251 PolarHBondContact O-N 3.25Å; L248-K252 WeakPolarHBondContact O-CB 3.36Å; L248-K252 PolarHBondContact O-N 3.09Å; L248-H713 VanDerWaalsContact CB-NE2 3.29Å; L248-H713 WeakPolarHBondContact CB-NE2 3.45Å; L248-H713 WeakPolarHBondContact CD1-CE1 3.21Å; L248-H713 VanDerWaalsContact CD1-NE2 3.35Å; L248-H713 WeakPolarHBondContact CD1-NE2 3.46Å
249E97.3Very high97.7Very high63 Ų6396.8 Ų96.829%0.29446%0.455SS..Hα-helixtrans-65.4-39.3167.2171.158.8-165.800111.6V245 I251 K252 R253V245-E249 VanDerWaalsContact O-CB 3.28Å; V245-E249 WeakPolarHBondContact O-CB 3.42Å; V245-E249 PolarHBondContact O-N 2.9Å; E249-I251 VanDerWaalsContact C-N 3.33Å; E249-I251 PolarHBondContact O-N 3.05Å; E249-K252 PolarHBondContact O-N 2.67Å; E249-K252 WeakPolarHBondContact OE2-CD 3.39Å; E249-R253 VanDerWaalsContact CG-NH2 3.32Å; E249-R253 WeakPolarHBondContact O-CG 2.89Å; E249-R253 PolarHBondContact O-N 2.8Å; E249-R253 IonicContact OE1-CZ 2.88Å; E249-R253 IonicContact OE1-NE 2.77Å; E249-R253 PolarHBondContact OE1-NE 3.31Å; E249-R253 IonicContact OE1-NH2 3.45Å; E249-R253 PolarHBondContact OE1-NH2 3.24Å
250M98Very high97.7Very high121 Ų12193.1 Ų93.160%0.59645%0.445SS*.Hα-helixtrans-62.7-38.5170.6-71.9174.367.800112.2T246 I247 R254T246-M250 WeakPolarHBondContact O-CG 3.46Å; T246-M250 PolarHBondContact O-N 2.93Å; I247-M250 WeakPolarHBondContact O-CB 3.47Å; I247-M250 PolarHBondContact O-N 3.33Å; M250-R254 WeakPolarHBondContact O-CB 3.26Å; M250-R254 PolarHBondContact O-N 2.97Å
251I98.3Very high97.7Very high52 Ų5295 Ų9527%0.26745%0.454SS..Hα-helixtrans-64.9-46.3174-69.4164.3000110.6I247 L248 E249 R253 R254 E255I247-I251 HydrophobicContact CG2-CD1 4.09Å; I247-I251 WeakPolarHBondContact O-CG1 3.08Å; I247-I251 PolarHBondContact O-N 3.18Å; L248-I251 HydrophobicContact CD2-CD1 4.05Å; L248-I251 PolarHBondContact O-N 3.25Å; E249-I251 VanDerWaalsContact C-N 3.33Å; E249-I251 PolarHBondContact O-N 3.05Å; I251-R253 VanDerWaalsContact C-N 3.35Å; I251-R253 PolarHBondContact O-N 2.73Å; I251-R254 WeakPolarHBondContact O-CB 3.16Å; I251-R254 PolarHBondContact O-N 3.17Å; I251-R254 VanDerWaalsContact O-N 3.12Å; I251-E255 HydrophobicContact CG2-CG 4.34Å; I251-E255 WeakPolarHBondContact O-CG 3.46Å; I251-E255 PolarHBondContact O-N 3.19Å
252K97.4Very high97.7Very high109 Ų10995 Ų9547%0.47445%0.454SS..Hα-helixtrans-55.2-47.5176.3-174.7-171.9-176.11790111.5L248 E249 E255 K256L248-K252 WeakPolarHBondContact O-CB 3.36Å; L248-K252 PolarHBondContact O-N 3.09Å; E249-K252 PolarHBondContact O-N 2.67Å; E249-K252 WeakPolarHBondContact OE2-CD 3.39Å; K252-E255 PolarHBondContact O-N 3.25Å; K252-K256 WeakPolarHBondContact O-CB 3.26Å; K252-K256 PolarHBondContact O-N 3.19Å
253R97.9Very high97.7Very high148 Ų14897.6 Ų97.656%0.55846%0.459SS*.Hα-helixtrans-60.3-47173.6-68.6174-163.5174.37112.1E249 I251 E255 K256 S257E249-R253 VanDerWaalsContact CG-NH2 3.32Å; E249-R253 WeakPolarHBondContact O-CG 2.89Å; E249-R253 PolarHBondContact O-N 2.8Å; E249-R253 IonicContact OE1-CZ 2.88Å; E249-R253 IonicContact OE1-NE 2.77Å; E249-R253 PolarHBondContact OE1-NE 3.31Å; E249-R253 IonicContact OE1-NH2 3.45Å; E249-R253 PolarHBondContact OE1-NH2 3.24Å; I251-R253 VanDerWaalsContact C-N 3.35Å; I251-R253 PolarHBondContact O-N 2.73Å; R253-E255 PolarHBondContact O-N 3.43Å; R253-K256 WeakPolarHBondContact O-CB 3.49Å; R253-K256 PolarHBondContact O-N 3.01Å; R253-S257 PolarHBondContact O-N 2.87Å; R253-S257 PolarHBondContact O-OG 2.93Å
254R98.3Very high97.6Very high135 Ų13593.8 Ų93.851%0.50945%0.45SS..Hα-helixtrans-59.4-43.8179.8-171.3-170.670.3-161.3-1.8112.2M250 I251 K258M250-R254 WeakPolarHBondContact O-CB 3.26Å; M250-R254 PolarHBondContact O-N 2.97Å; I251-R254 WeakPolarHBondContact O-CB 3.16Å; I251-R254 PolarHBondContact O-N 3.17Å; I251-R254 VanDerWaalsContact O-N 3.12Å; R254-K258 WeakPolarHBondContact O-CG 3.47Å; R254-K258 PolarHBondContact O-N 2.88Å; R254-K258 VanDerWaalsContact O-N 3.13Å
255E98.2Very high97.5Very high55 Ų5595.4 Ų95.426%0.25746%0.456SS..Hα-helixtrans-74.3-32177.1-55.2-44.4125.500112.5I251 K252 R253 K258 R259 A710I251-E255 HydrophobicContact CG2-CG 4.34Å; I251-E255 WeakPolarHBondContact O-CG 3.46Å; I251-E255 PolarHBondContact O-N 3.19Å; K252-E255 PolarHBondContact O-N 3.25Å; R253-E255 PolarHBondContact O-N 3.43Å; E255-K258 PolarHBondContact O-N 2.81Å; E255-K258 IonicContact OE1-NZ 2.75Å; E255-K258 PolarHBondContact OE1-NZ 3.06Å; E255-K258 WeakPolarHBondContact OE2-CD 3.34Å; E255-K258 IonicContact OE2-NZ 2.96Å; E255-K258 PolarHBondContact OE2-NZ 2.81Å; E255-R259 PolarHBondContact O-N 3Å; E255-A710 HydrophobicContact CG-CB 4.23Å
256K97.6Very high97.5Very high122 Ų12298.3 Ų98.353%0.5347%0.47SS..Hα-helixtrans-59.9-50.1170.4-173.2176.7-172.3-80.60111.1K252 R253 K258 R259 E260K252-K256 WeakPolarHBondContact O-CB 3.26Å; K252-K256 PolarHBondContact O-N 3.19Å; R253-K256 WeakPolarHBondContact O-CB 3.49Å; R253-K256 PolarHBondContact O-N 3.01Å; K256-K258 PolarHBondContact O-N 3.47Å; K256-R259 WeakPolarHBondContact O-CA 3.39Å; K256-R259 VanDerWaalsContact O-CB 3.32Å; K256-R259 WeakPolarHBondContact O-CB 3.45Å; K256-R259 PolarHBondContact O-N 3.19Å; K256-E260 IonicContact NZ-OE1 3.46Å; K256-E260 PolarHBondContact NZ-OE1 3.45Å; K256-E260 WeakPolarHBondContact O-CG 3.19Å; K256-E260 PolarHBondContact O-N 3.21Å
257S97.8Very high97.5Very high68 Ų6898.8 Ų98.848%0.47647%0.466SS..Hα-helixtrans-70.8-26.8-179.1-60.40000114.2R253 E260 L261R253-S257 PolarHBondContact O-N 2.87Å; R253-S257 PolarHBondContact O-OG 2.93Å; S257-E260 VanDerWaalsContact CA-OE2 3.27Å; S257-E260 WeakPolarHBondContact CA-OE2 3.17Å; S257-E260 PolarHBondContact OG-OE2 3.26Å; S257-L261 VanDerWaalsContact O-CB 3.3Å; S257-L261 WeakPolarHBondContact O-CB 3.44Å; S257-L261 PolarHBondContact O-N 2.64Å
258K98.3Very high97.2Very high109 Ų10997 Ų9747%0.47446%0.457SS..Hα-helixtrans-65-41.2165.6-74169.3-179.5175.90112.2R254 E255 K256 L261 L262R254-K258 WeakPolarHBondContact O-CG 3.47Å; R254-K258 PolarHBondContact O-N 2.88Å; R254-K258 VanDerWaalsContact O-N 3.13Å; E255-K258 PolarHBondContact O-N 2.81Å; E255-K258 IonicContact OE1-NZ 2.75Å; E255-K258 PolarHBondContact OE1-NZ 3.06Å; E255-K258 WeakPolarHBondContact OE2-CD 3.34Å; E255-K258 IonicContact OE2-NZ 2.96Å; E255-K258 PolarHBondContact OE2-NZ 2.81Å; K256-K258 PolarHBondContact O-N 3.47Å; K258-L261 PolarHBondContact O-N 3.13Å; K258-L262 WeakPolarHBondContact O-CB 3.44Å; K258-L262 PolarHBondContact O-N 3.36Å
259R97.7Very high97.1Very high169 Ų16999.8 Ų99.864%0.63847%0.47SS*.Hα-helixtrans-64.1-45176.5-167.7-164.8-64.5-179.1-3.4110.8E255 K256 L262 H263E255-R259 PolarHBondContact O-N 3Å; K256-R259 WeakPolarHBondContact O-CA 3.39Å; K256-R259 VanDerWaalsContact O-CB 3.32Å; K256-R259 WeakPolarHBondContact O-CB 3.45Å; K256-R259 PolarHBondContact O-N 3.19Å; R259-L262 PolarHBondContact O-N 3.18Å; R259-H263 PolarHBondContact O-CD2 2.84Å; R259-H263 PolarHBondContact O-N 2.87Å
260E97.4Very high97Very high87 Ų87101.6 Ų101.641%0.40748%0.478SS..Hα-helixtrans-60-45175.3-68.8164159.800111.6K256 S257 L262 H263 L264K256-E260 IonicContact NZ-OE1 3.46Å; K256-E260 PolarHBondContact NZ-OE1 3.45Å; K256-E260 WeakPolarHBondContact O-CG 3.19Å; K256-E260 PolarHBondContact O-N 3.21Å; S257-E260 VanDerWaalsContact CA-OE2 3.27Å; S257-E260 WeakPolarHBondContact CA-OE2 3.17Å; S257-E260 PolarHBondContact OG-OE2 3.26Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 3.15Å; E260-H263 PolarHBondContact O-N 3.25Å; E260-L264 WeakPolarHBondContact O-CB 3.41Å; E260-L264 PolarHBondContact O-N 3.43Å
261L97.4Very high96.8Very high108 Ų108100.1 Ų100.157%0.56547%0.469SS*.Hα-helixtrans-61.4-39.2174179.362000112.5S257 K258 T265S257-L261 VanDerWaalsContact O-CB 3.3Å; S257-L261 WeakPolarHBondContact O-CB 3.44Å; S257-L261 PolarHBondContact O-N 2.64Å; K258-L261 PolarHBondContact O-N 3.13Å; L261-T265 WeakPolarHBondContact O-CB 3.43Å; L261-T265 PolarHBondContact O-N 3.39Å; L261-T265 PolarHBondContact O-OG1 3Å
262L97.8Very high96.6Very high103 Ų103101 Ų10154%0.53947%0.469SS..Hα-helixtrans-66.4-46176.3-17764.7000111.6K258 R259 E260 L264 T265 L266K258-L262 WeakPolarHBondContact O-CB 3.44Å; K258-L262 PolarHBondContact O-N 3.36Å; R259-L262 PolarHBondContact O-N 3.18Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 3.15Å; L262-L264 PolarHBondContact O-N 2.82Å; L262-T265 WeakPolarHBondContact O-CB 3.39Å; L262-T265 PolarHBondContact O-N 3.26Å; L262-L266 HydrophobicContact CG-CD1 4.42Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 2.58Å
263H97.3Very high96.5Very high120 Ų120103 Ų10356%0.55647%0.474SS*.Hα-helixtrans-59.8-45.6175.1-73.2-65000111.6R259 E260 T265 L266 E267R259-H263 PolarHBondContact O-CD2 2.84Å; R259-H263 PolarHBondContact O-N 2.87Å; E260-H263 PolarHBondContact O-N 3.25Å; H263-T265 VanDerWaalsContact C-N 3.3Å; H263-T265 PolarHBondContact O-N 3.49Å; H263-L266 PolarHBondContact O-N 2.79Å; H263-E267 PolarHBondContact O-N 2.87Å
264L96.5Very high96.3Very high87 Ų87101 Ų10146%0.45547%0.474SS..Hα-helixtrans-62.4-36.3175.8-179.761.6000112.1E260 L262 E267 I268E260-L264 WeakPolarHBondContact O-CB 3.41Å; E260-L264 PolarHBondContact O-N 3.43Å; L262-L264 PolarHBondContact O-N 2.82Å; L264-E267 PolarHBondContact O-N 3.45Å; L264-I268 HydrophobicContact CD1-CD1 4.04Å; L264-I268 HydrophobicContact CD1-CG1 4.25Å; L264-I268 HydrophobicContact CG-CD1 3.89Å; L264-I268 WeakPolarHBondContact O-CB 3.26Å; L264-I268 WeakPolarHBondContact O-CD1 3.48Å; L264-I268 WeakPolarHBondContact O-CG1 3.31Å; L264-I268 PolarHBondContact O-N 3.41Å
265T95.8Very high96Very high76 Ų76100.2 Ų100.247%0.46648%0.48SS..Hα-helixtrans-66.7-41176.4-58.10000111.5L261 L262 H263 M269L261-T265 WeakPolarHBondContact O-CB 3.43Å; L261-T265 PolarHBondContact O-N 3.39Å; L261-T265 PolarHBondContact O-OG1 3Å; L262-T265 WeakPolarHBondContact O-CB 3.39Å; L262-T265 PolarHBondContact O-N 3.26Å; H263-T265 VanDerWaalsContact C-N 3.3Å; H263-T265 PolarHBondContact O-N 3.49Å; T265-M269 PolarHBondContact O-N 3.14Å
266L96.6Very high95.7Very high98 Ų9899.3 Ų99.351%0.51349%0.486SS..Hα-helixtrans-66.3-44.4174.9-68.9169.6000111.5L262 H263 I268 M269 E270L262-L266 HydrophobicContact CG-CD1 4.42Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 2.58Å; H263-L266 PolarHBondContact O-N 2.79Å; L266-I268 PolarHBondContact O-N 3.47Å; L266-M269 WeakPolarHBondContact O-CB 3.3Å; L266-M269 PolarHBondContact O-N 3.12Å; L266-E270 PolarHBondContact O-N 3.44Å
267E96.3Very high95.5Very high94 Ų9493.9 Ų93.944%0.43946%0.462SS..Hα-helixtrans-61.5-44.7175.7-179.7173.4-155.200111.6H263 L264 M269 E270 K271H263-E267 PolarHBondContact O-N 2.87Å; L264-E267 PolarHBondContact O-N 3.45Å; E267-M269 VanDerWaalsContact C-N 3.29Å; E267-M269 PolarHBondContact O-N 3.08Å; E267-E270 WeakPolarHBondContact O-CB 3.02Å; E267-E270 PolarHBondContact O-N 2.91Å; E267-K271 HydrophobicContact CG-CD 4.31Å; E267-K271 HydrophobicContact CG-CG 4.24Å; E267-K271 WeakPolarHBondContact O-CG 3.47Å; E267-K271 PolarHBondContact O-N 3.1Å; E267-K271 WeakPolarHBondContact OE1-CE 3.46Å; E267-K271 IonicContact OE1-NZ 3.7Å; E267-K271 PolarHBondContact OE1-NZ 2.91Å
268I93.1Very high95.1Very high50 Ų5098.5 Ų98.526%0.25647%0.47SS..Hα-helixtrans-59.4-41.8175.2-73.9167.5000110.7L264 L266 K271 R272 M283L264-I268 HydrophobicContact CD1-CD1 4.04Å; L264-I268 HydrophobicContact CD1-CG1 4.25Å; L264-I268 HydrophobicContact CG-CD1 3.89Å; L264-I268 WeakPolarHBondContact O-CB 3.26Å; L264-I268 WeakPolarHBondContact O-CD1 3.48Å; L264-I268 WeakPolarHBondContact O-CG1 3.31Å; L264-I268 PolarHBondContact O-N 3.41Å; L266-I268 PolarHBondContact O-N 3.47Å; I268-K271 PolarHBondContact O-N 2.87Å; I268-R272 HydrophobicContact CG2-CG 4.4Å; I268-R272 WeakPolarHBondContact O-CB 3.46Å; I268-R272 VanDerWaalsContact O-CG 3.23Å; I268-R272 WeakPolarHBondContact O-CG 3.25Å; I268-R272 PolarHBondContact O-N 3.33Å; I268-M283 HydrophobicContact CD1-CE 4.5Å; I268-M283 HydrophobicContact CG2-CE 3.68Å; I268-M283 HydrophobicContact CG2-SD 3.75Å
269M94.4Very high94.6Very high122 Ų12297.3 Ų97.360%0.60148%0.476SS*.Hα-helixtrans-62.7-43.7175.9-164.3-166.185.100111.6T265 L266 E267 R272 Y273T265-M269 PolarHBondContact O-N 3.14Å; L266-M269 WeakPolarHBondContact O-CB 3.3Å; L266-M269 PolarHBondContact O-N 3.12Å; E267-M269 VanDerWaalsContact C-N 3.29Å; E267-M269 PolarHBondContact O-N 3.08Å; M269-R272 PolarHBondContact O-N 2.88Å; M269-Y273 WeakPolarHBondContact O-CB 3.43Å; M269-Y273 PolarHBondContact O-N 3.23Å
270E95.5Very high94.1Very high100 Ų10090 Ų9047%0.46745%0.452SS..Hα-helixtrans-62.4-47177.2-164.8-152.116100111.7L266 E267 R272 Y273 N274L266-E270 PolarHBondContact O-N 3.44Å; E267-E270 WeakPolarHBondContact O-CB 3.02Å; E267-E270 PolarHBondContact O-N 2.91Å; E270-R272 PolarHBondContact O-N 3.46Å; E270-Y273 PolarHBondContact O-N 3.49Å; E270-N274 WeakPolarHBondContact O-CB 3.32Å; E270-N274 VanDerWaalsContact O-CG 3.24Å; E270-N274 PolarHBondContact O-N 2.62Å; E270-N274 PolarHBondContact O-ND2 3.05Å
271K93.6Very high93.8Very high91 Ų9192.5 Ų92.540%0.39646%0.464SS..Hα-helixtrans-63-43.9176.9-58.8-31.8-176.4-142.50111.1E267 I268 Y273 N274 L275E267-K271 HydrophobicContact CG-CD 4.31Å; E267-K271 HydrophobicContact CG-CG 4.24Å; E267-K271 WeakPolarHBondContact O-CG 3.47Å; E267-K271 PolarHBondContact O-N 3.1Å; E267-K271 WeakPolarHBondContact OE1-CE 3.46Å; E267-K271 IonicContact OE1-NZ 3.7Å; E267-K271 PolarHBondContact OE1-NZ 2.91Å; I268-K271 PolarHBondContact O-N 2.87Å; K271-Y273 PolarHBondContact O-N 3.34Å; K271-N274 PolarHBondContact O-N 3.15Å; K271-L275 WeakPolarHBondContact O-CB 3.32Å; K271-L275 VanDerWaalsContact O-CG 3.23Å; K271-L275 WeakPolarHBondContact O-CG 3.29Å; K271-L275 PolarHBondContact O-N 3.17Å
272R93.9Very high93.3Very high71 Ų7191.2 Ų91.227%0.26846%0.457SS..Hα-helixtrans-60.8-44176.9-74.9179.167-140.3-17.7112I268 M269 E270 L275 G276 D277 M283I268-R272 HydrophobicContact CG2-CG 4.4Å; I268-R272 WeakPolarHBondContact O-CB 3.46Å; I268-R272 VanDerWaalsContact O-CG 3.23Å; I268-R272 WeakPolarHBondContact O-CG 3.25Å; I268-R272 PolarHBondContact O-N 3.33Å; M269-R272 PolarHBondContact O-N 2.88Å; E270-R272 PolarHBondContact O-N 3.46Å; R272-L275 CarbonylContact O-C 3.59Å; R272-L275 PolarHBondContact O-N 3.35Å; R272-G276 PolarHBondContact O-N 3.47Å; R272-G276 VanDerWaalsContact O-N 3.07Å; R272-D277 HydrophobicContact CB-CB 4.12Å; R272-D277 HydrophobicContact CG-CB 4.29Å; R272-D277 WeakPolarHBondContact CG-OD2 3.3Å; R272-D277 IonicContact CZ-OD2 3.64Å; R272-D277 IonicContact NE-OD2 2.76Å; R272-D277 PolarHBondContact NE-OD2 3.25Å; R272-D277 PolarHBondContact NH2-O 3.19Å; R272-D277 IonicContact NH2-OD2 3.72Å; R272-D277 PolarHBondContact O-N 2.94Å; R272-M283 HydrophobicContact CG-CB 4.42Å
273Y94.4Very high92.8Very high149 Ų14988.8 Ų88.858%0.58444%0.444SS*.Hα-helixtrans-60.2-48.7175.1-178.8-91.4000111.5M269 E270 K271 L275 G276 Y278M269-Y273 WeakPolarHBondContact O-CB 3.43Å; M269-Y273 PolarHBondContact O-N 3.23Å; E270-Y273 PolarHBondContact O-N 3.49Å; K271-Y273 PolarHBondContact O-N 3.34Å; Y273-L275 PolarHBondContact O-N 2.68Å; Y273-G276 PolarHBondContact O-N 3.01Å; Y273-Y278 AromaticContact CD2-CE1 3.87Å; Y273-Y278 HydrophobicContact CD2-CE1 3.87Å; Y273-Y278 HydrophobicContact CE2-CE1 4.05Å
274N94.6Very high92.4Very high106 Ų10686.8 Ų86.857%0.56744%0.443SS*.Hα-helixtrans-65.7-22.3178.4-68.4-24.3000113.6E270 K271E270-N274 WeakPolarHBondContact O-CB 3.32Å; E270-N274 VanDerWaalsContact O-CG 3.24Å; E270-N274 PolarHBondContact O-N 2.62Å; E270-N274 PolarHBondContact O-ND2 3.05Å; K271-N274 PolarHBondContact O-N 3.15Å
275L92.4Very high92.1Very high120 Ų12088.2 Ų88.263%0.62845%0.448SS*.THydrogen-bonded Turntrans-90.8-5.7173.6-70.3169.7000113.6K271 R272 Y273 D277K271-L275 WeakPolarHBondContact O-CB 3.32Å; K271-L275 VanDerWaalsContact O-CG 3.23Å; K271-L275 WeakPolarHBondContact O-CG 3.29Å; K271-L275 PolarHBondContact O-N 3.17Å; R272-L275 CarbonylContact O-C 3.59Å; R272-L275 PolarHBondContact O-N 3.35Å; Y273-L275 PolarHBondContact O-N 2.68Å; L275-D277 VanDerWaalsContact C-N 3.27Å; L275-D277 PolarHBondContact O-N 3.39Å
276G91.6Very high91.6Very high36 Ų3687.1 Ų87.137%0.37144%0.441SS..THydrogen-bonded Turntrans71.316-174.200000115R272 Y273 Y278R272-G276 PolarHBondContact O-N 3.47Å; R272-G276 VanDerWaalsContact O-N 3.07Å; Y273-G276 PolarHBondContact O-N 3.01Å; G276-Y278 WeakPolarHBondContact O-CD2 3.09Å; G276-Y278 PolarHBondContact O-N 3.17Å
277D92.2Very high91.2Very high7 Ų786.6 Ų86.64%0.03744%0.437CS..  trans-76.458.2179-179.141.3000111.6R272 L275 G280 E281 I282 M283R272-D277 HydrophobicContact CB-CB 4.12Å; R272-D277 HydrophobicContact CG-CB 4.29Å; R272-D277 WeakPolarHBondContact CG-OD2 3.3Å; R272-D277 IonicContact CZ-OD2 3.64Å; R272-D277 IonicContact NE-OD2 2.76Å; R272-D277 PolarHBondContact NE-OD2 3.25Å; R272-D277 PolarHBondContact NH2-O 3.19Å; R272-D277 IonicContact NH2-OD2 3.72Å; R272-D277 PolarHBondContact O-N 2.94Å; L275-D277 VanDerWaalsContact C-N 3.27Å; L275-D277 PolarHBondContact O-N 3.39Å; D277-G280 PolarHBondContact O-N 3.12Å; D277-G280 VanDerWaalsContact OD1-C 3.25Å; D277-G280 WeakPolarHBondContact OD1-CA 3.43Å; D277-G280 PolarHBondContact OD1-N 3.1Å; D277-G280 VanDerWaalsContact OD1-N 3.11Å; D277-G280 WeakPolarHBondContact OD2-CA 3.48Å; D277-E281 PolarHBondContact OD1-N 2.95Å; D277-I282 HydrophobicContact CB-CB 4.19Å; D277-I282 HydrophobicContact CB-CD1 4.18Å; D277-I282 HydrophobicContact CB-CG1 4.24Å; D277-I282 PolarHBondContact OD1-N 3.2Å; D277-M283 WeakPolarHBondContact OD2-CB 3.33Å; D277-M283 PolarHBondContact OD2-N 2.89Å
278Y89.6Confident90.7Very high166 Ų16685.2 Ų85.265%0.65144%0.441SS*.SBendtrans-68.5-35.4-177.7-55.7-66.3000112.3Y273 G276Y273-Y278 AromaticContact CD2-CE1 3.87Å; Y273-Y278 HydrophobicContact CD2-CE1 3.87Å; Y273-Y278 HydrophobicContact CE2-CE1 4.05Å; G276-Y278 WeakPolarHBondContact O-CD2 3.09Å; G276-Y278 PolarHBondContact O-N 3.17Å
279S89.3Confident90.2Very high84 Ų8489 Ų8959%0.58746%0.458SS*.SBendtrans-75-28.2176.852.80000113.4E281S279-E281 WeakPolarHBondContact CB-OE1 3.41Å; S279-E281 PolarHBondContact OG-OE1 3.37Å
280G86.9Confident89.3Confident14 Ų1492.2 Ų92.214%0.14446%0.464CS..SBendtrans88.515.5-177.100000114.2D277 S284D277-G280 PolarHBondContact O-N 3.12Å; D277-G280 VanDerWaalsContact OD1-C 3.25Å; D277-G280 WeakPolarHBondContact OD1-CA 3.43Å; D277-G280 PolarHBondContact OD1-N 3.1Å; D277-G280 VanDerWaalsContact OD1-N 3.11Å; D277-G280 WeakPolarHBondContact OD2-CA 3.48Å; G280-S284 VanDerWaalsContact O-CB 3.22Å; G280-S284 WeakPolarHBondContact O-CB 3.47Å; G280-S284 PolarHBondContact O-N 3.05Å
281E90Very high87.8Confident141 Ų14193.6 Ų93.666%0.65947%0.47SS*.Hα-helixtrans-63.7-45.3176.7-73.6162.1-113.300111.3D277 S279 S284 E285D277-E281 PolarHBondContact OD1-N 2.95Å; S279-E281 WeakPolarHBondContact CB-OE1 3.41Å; S279-E281 PolarHBondContact OG-OE1 3.37Å; E281-S284 WeakPolarHBondContact O-CB 3.41Å; E281-S284 PolarHBondContact O-N 2.96Å; E281-E285 PolarHBondContact O-N 3.19Å
282I87.7Confident86.2Confident81 Ų8194.1 Ų94.142%0.41548%0.483SS..Hα-helixtrans-66.8-42.9179.4-53.2-175.8000109.9D277 S284 E285 V286D277-I282 HydrophobicContact CB-CB 4.19Å; D277-I282 HydrophobicContact CB-CD1 4.18Å; D277-I282 HydrophobicContact CB-CG1 4.24Å; D277-I282 PolarHBondContact OD1-N 3.2Å; I282-S284 VanDerWaalsContact C-N 3.33Å; I282-S284 PolarHBondContact O-N 2.71Å; I282-E285 PolarHBondContact O-N 3.1Å; I282-V286 WeakPolarHBondContact O-CG2 3.14Å; I282-V286 PolarHBondContact O-N 3.45Å
283M87.4Confident84.6Confident51 Ų5197.1 Ų97.125%0.25151%0.509SS..Hα-helixtrans-60.7-39.8173.3-179.363.2173.500112.7I268 R272 D277 M287I268-M283 HydrophobicContact CD1-CE 4.5Å; I268-M283 HydrophobicContact CG2-CE 3.68Å; I268-M283 HydrophobicContact CG2-SD 3.75Å; R272-M283 HydrophobicContact CG-CB 4.42Å; D277-M283 WeakPolarHBondContact OD2-CB 3.33Å; D277-M283 PolarHBondContact OD2-N 2.89Å; M283-M287 HydrophobicContact CE-CE 3.41Å; M283-M287 VanDerWaalsContact CE-CE 3.41Å; M283-M287 HydrophobicContact CE-CG 4.23Å; M283-M287 VanDerWaalsContact O-CB 3.29Å; M283-M287 WeakPolarHBondContact O-CB 3.32Å; M283-M287 VanDerWaalsContact O-CG 3.26Å; M283-M287 WeakPolarHBondContact O-CG 3.43Å; M283-M287 PolarHBondContact O-N 2.96Å; M283-M287 HydrophobicContact SD-CE 4.38Å; M283-M287 HydrophobicContact SD-CG 4.41Å
284S88.9Confident82.5Confident79 Ų7998.4 Ų98.455%0.55252%0.517SS*.Hα-helixtrans-67.2-41.5177-173.20000111.6G280 E281 I282 M287 A288G280-S284 VanDerWaalsContact O-CB 3.22Å; G280-S284 WeakPolarHBondContact O-CB 3.47Å; G280-S284 PolarHBondContact O-N 3.05Å; E281-S284 WeakPolarHBondContact O-CB 3.41Å; E281-S284 PolarHBondContact O-N 2.96Å; I282-S284 VanDerWaalsContact C-N 3.33Å; I282-S284 PolarHBondContact O-N 2.71Å; S284-M287 PolarHBondContact O-N 3.22Å; S284-A288 WeakPolarHBondContact O-CB 3.34Å; S284-A288 PolarHBondContact O-N 3.48Å
285E88.9Confident80.2Confident116 Ų11698.7 Ų98.754%0.54253%0.525SS..Hα-helixtrans-63.3-49.5175.6-162.8-164.6154.100111.1E281 I282 M287 A288 Q289E281-E285 PolarHBondContact O-N 3.19Å; I282-E285 PolarHBondContact O-N 3.1Å; E285-M287 VanDerWaalsContact C-N 3.27Å; E285-M287 PolarHBondContact O-N 2.66Å; E285-A288 WeakPolarHBondContact O-CB 3.37Å; E285-A288 PolarHBondContact O-N 2.9Å; E285-Q289 WeakPolarHBondContact O-CG 3.4Å; E285-Q289 PolarHBondContact O-N 2.88Å; E285-Q289 PolarHBondContact OE1-NE2 3.45Å
286V87.1Confident78Confident53 Ų5399.1 Ų99.132%0.32153%0.532SS..Hα-helixtrans-61.1-36.5176.8172.40000111.5I282 R290I282-V286 WeakPolarHBondContact O-CG2 3.14Å; I282-V286 PolarHBondContact O-N 3.45Å; V286-R290 HydrophobicContact CG1-CG 4.42Å; V286-R290 VanDerWaalsContact O-CB 3.22Å; V286-R290 WeakPolarHBondContact O-CB 3.47Å; V286-R290 VanDerWaalsContact O-CG 3.25Å; V286-R290 WeakPolarHBondContact O-CG 3.48Å; V286-R290 PolarHBondContact O-N 2.77Å
287M86.3Confident76.2Confident87 Ų87106.9 Ų106.943%0.42955%0.552SS.*Hα-helixtrans-71.6-28.3174.4-77.9-67.2-178.700113.7M283 S284 E285 Q291M283-M287 HydrophobicContact CE-CE 3.41Å; M283-M287 VanDerWaalsContact CE-CE 3.41Å; M283-M287 HydrophobicContact CE-CG 4.23Å; M283-M287 VanDerWaalsContact O-CB 3.29Å; M283-M287 WeakPolarHBondContact O-CB 3.32Å; M283-M287 VanDerWaalsContact O-CG 3.26Å; M283-M287 WeakPolarHBondContact O-CG 3.43Å; M283-M287 PolarHBondContact O-N 2.96Å; M283-M287 HydrophobicContact SD-CE 4.38Å; M283-M287 HydrophobicContact SD-CG 4.41Å; S284-M287 PolarHBondContact O-N 3.22Å; E285-M287 VanDerWaalsContact C-N 3.27Å; E285-M287 PolarHBondContact O-N 2.66Å; M287-Q291 PolarHBondContact O-N 3.28Å; M287-Q291 VanDerWaalsContact O-N 3.14Å; M287-Q291 PolarHBondContact O-NE2 3.47Å
288A87.4Confident73.8Confident65 Ų65111.5 Ų111.554%0.53759%0.591SS.*Hα-helixtrans-73.3-44.8171.700000111.3S284 E285 R290 Q291S284-A288 WeakPolarHBondContact O-CB 3.34Å; S284-A288 PolarHBondContact O-N 3.48Å; E285-A288 WeakPolarHBondContact O-CB 3.37Å; E285-A288 PolarHBondContact O-N 2.9Å; A288-R290 VanDerWaalsContact C-N 3.27Å; A288-R290 PolarHBondContact O-N 3.43Å; A288-Q291 WeakPolarHBondContact O-CB 3.45Å; A288-Q291 PolarHBondContact O-N 2.82Å
289Q81.9Confident71.7Confident131 Ų131110.7 Ų110.761%0.61260%0.597SS**Hα-helixtrans-62.5-32.3173.1-66.3177.814.400112.4E285E285-Q289 WeakPolarHBondContact O-CG 3.4Å; E285-Q289 PolarHBondContact O-N 2.88Å; E285-Q289 PolarHBondContact OE1-NE2 3.45Å
290R74.9Confident69.6Low189 Ų189111.7 Ų111.771%0.71360%0.601SS**THydrogen-bonded Turntrans-86.7-1.9175.4-73.8-176.8178.7-157.92.3114.8V286 A288V286-R290 HydrophobicContact CG1-CG 4.42Å; V286-R290 VanDerWaalsContact O-CB 3.22Å; V286-R290 WeakPolarHBondContact O-CB 3.47Å; V286-R290 VanDerWaalsContact O-CG 3.25Å; V286-R290 WeakPolarHBondContact O-CG 3.48Å; V286-R290 PolarHBondContact O-N 2.77Å; A288-R290 VanDerWaalsContact C-N 3.27Å; A288-R290 PolarHBondContact O-N 3.43Å
291Q64.6Low67.5Low128 Ų128118.9 Ų118.960%0.59864%0.635SS**SBendtrans-58.5129.8164.3-72.7-55.2-62.300107.5M287 A288 V293M287-Q291 PolarHBondContact O-N 3.28Å; M287-Q291 VanDerWaalsContact O-N 3.14Å; M287-Q291 PolarHBondContact O-NE2 3.47Å; A288-Q291 WeakPolarHBondContact O-CB 3.45Å; A288-Q291 PolarHBondContact O-N 2.82Å; Q291-V293 PolarHBondContact O-N 2.98Å
292P60.4Low65.2Low103 Ų103118.7 Ų118.767%0.66964%0.637SS**  trans-61113.9174.725.2-32.1000107.6K294P292-K294 VanDerWaalsContact C-N 3.33Å; P292-K294 PolarHBondContact O-N 3.47Å
293V60.3Low62.9Low134 Ų134120 Ų12081%0.81265%0.65SS**  trans-52.9107.3161.6177.40000104.8Q291 P295Q291-V293 PolarHBondContact O-N 2.98Å; V293-P295 WeakPolarHBondContact O-CD 3.31Å; V293-P295 VanDerWaalsContact O-N 3.09Å
294K50.8Low60.5Low176 Ų176125.5 Ų125.577%0.76568%0.679SS**  trans-52123.2-176.6-67.1178.2-179176.70106.5P292 T296P292-K294 VanDerWaalsContact C-N 3.33Å; P292-K294 PolarHBondContact O-N 3.47Å; K294-T296 PolarHBondContact O-N 3.22Å; K294-T296 PolarHBondContact O-OG1 3.26Å
295P45.8Very low57.9Low111 Ų111127.5 Ų127.572%0.72169%0.688SS**  trans-63.1105.3178.423.6-31.7000107.7V293 Y297V293-P295 WeakPolarHBondContact O-CD 3.31Å; V293-P295 VanDerWaalsContact O-N 3.09Å; P295-Y297 PolarHBondContact O-N 3.31Å
296T46.4Very low55.2Low129 Ų129130 Ų13079%0.79171%0.705SS**  trans-76.749.5-179.3-48.60000110.6K294K294-T296 PolarHBondContact O-N 3.22Å; K294-T296 PolarHBondContact O-OG1 3.26Å
297Y52.7Low52.5Low199 Ų199132.7 Ų132.778%0.7873%0.727SS**  trans-135.192.5172.2-71.1-71000107P295 I299P295-Y297 PolarHBondContact O-N 3.31Å; Y297-I299 VanDerWaalsContact C-N 3.34Å; Y297-I299 PolarHBondContact O-N 2.96Å
298A42.3Very low49.8Very low105 Ų105134 Ų13487%0.86874%0.744SS**  trans-67.596.116800000108.3P300A298-P300 WeakPolarHBondContact O-CD 3.15Å
299I46.3Very low47.3Very low148 Ų148140.1 Ų140.176%0.75976%0.762SS**PPolyproline II helixtrans-72118.3167.3-59.9174.7000106.6Y297 I301Y297-I299 VanDerWaalsContact C-N 3.34Å; Y297-I299 PolarHBondContact O-N 2.96Å; I299-I301 PolarHBondContact O-N 3.12Å
300P44.5Very low44.7Very low105 Ų105143.6 Ų143.668%0.68278%0.775SS**PPolyproline II helixtrans-69123.1177.427.7-32.7000109.7A298 I302A298-P300 WeakPolarHBondContact O-CD 3.15Å; P300-I302 PolarHBondContact O-N 3.07Å
301I43Very low42.9Very low166 Ų166144.8 Ų144.885%0.85179%0.786SS**PPolyproline II helixtrans-76.7117.1170.5-65164.6000107.7I299I299-I301 PolarHBondContact O-N 3.12Å
302I42.3Very low41.1Very low136 Ų136146.7 Ų146.770%0.69779%0.794SS**  trans-117.5141.9166.2-65.6-179.6000106.9P300P300-I302 PolarHBondContact O-N 3.07Å
303P38.3Very low39.5Very low109 Ų109148 Ų14871%0.70879%0.791SS**  trans-69.9141.5-164.5-2033.6000113.8T305P303-T305 PolarHBondContact O-N 3.49Å
304I36.9Very low37.9Very low166 Ų166149 Ų14985%0.85179%0.787SS**  trans-86.8105.1166-58.7177.5000108.3
305T35.2Very low36.9Very low121 Ų121146.8 Ų146.874%0.74279%0.788SS**  trans-78.3129.8169.5480000110.7P303 S307P303-T305 PolarHBondContact O-N 3.49Å; T305-S307 PolarHBondContact O-N 3.13Å
306N31.3Very low36.2Very low169 Ų169147.1 Ų147.190%0.90479%0.788SS**  trans-76.9117.6167.9-99.5-28.7000110.6
307S31.7Very low35.5Very low110 Ų110148.2 Ų148.277%0.76979%0.789SS**  trans-155.2112.9146.755.60000111.7T305T305-S307 PolarHBondContact O-N 3.13Å
308S29.5Very low34.5Very low114 Ų114141.3 Ų141.380%0.79778%0.779SS**  trans-90107.5163.755.90000109.3
309Q33.2Very low34Very low193 Ų193144.9 Ų144.990%0.90277%0.774SS**  trans-159.7145.4155.5-117.1164.776.100112.1
310F28.9Very low33.2Very low204 Ų204144.2 Ų144.290%0.89577%0.768SS**  trans-71.2139.8-178.9-76.8-112.2000112
311K36.2Very low32.3Very low215 Ų215148.3 Ų148.394%0.93578%0.775SS**  -168.3176.8127.2-103.3154.1-172.1177.20112.3
312H27.6Very low31.5Very low167 Ų167149.6 Ų149.677%0.77378%0.775SS**  trans-110.2165.7-157.2-148.3-93000112.4
313Q27.2Very low30.8Very low130 Ų130150.2 Ų150.261%0.60779%0.785SS**  trans77.8104.2159.9-136.37530.900119.9
314E26.4Very low30.4Very low157 Ų157153.2 Ų153.273%0.73479%0.789SS**  84136.3126.8-81.9175.1-166.700127.9
315V30Very low30.1Very low128 Ų128153.3 Ų153.378%0.77678%0.783SS**  trans93.2132136.1165.60000122
316T30.5Very low29.8Very low119 Ų119154.4 Ų154.473%0.7378%0.78SS**  trans-69.716917951.90000114.2
317D31.6Very low29.7Very low152 Ų152151.5 Ų151.581%0.81376%0.764SS**  cis-155-1716.2-139.537000108.1
318G30.9Very low29.7Very low54 Ų54154.6 Ų154.656%0.55776%0.764SS**  cis157.3165.51.900000113
319K32Very low29.7Very low179 Ų179154 Ų15478%0.77877%0.766SS**  trans61.8156.2167.9-76.6-167.3170-129.50119.2
320E30.2Very low29.4Very low134 Ų134151.5 Ų151.563%0.62676%0.759SS**  cis-167178.6-28-121.4-180154.400110.7
321F24.8Very low29.4Very low191 Ų191148.3 Ų148.384%0.83875%0.75SS**  trans90.7157.2162.7-84.6-79.9000123.3
322K27.8Very low29Very low194 Ų194143.8 Ų143.884%0.84374%0.741SS**  trans-121.9169-161.2-61.1174.2174.8174.50113.2
323V27Very low29Very low149 Ų149147.3 Ų147.390%0.90375%0.747SS**  trans-160.5-174.4130.81350000110.3
324H28.6Very low29.5Very low171 Ų171147 Ų14779%0.79276%0.756SS**  trans-148.9172.6-142-151.818000115.7
325K30.7Very low29.6Very low169 Ų169148.7 Ų148.774%0.73576%0.761SS**  trans72.7157.7168.1-79.1-167.1174-1700117.8
326Q29.6Very low29.5Very low143 Ų143152.7 Ų152.767%0.66876%0.762SS**  cis162.9159.8-15.5-114.5-167.8-69.900104.6
327D29.1Very low29.5Very low108 Ų108155.7 Ų155.758%0.57877%0.765SS**  cis-172.3167-6.6-156.5-17.4000110.7
328K31.4Very low29.2Very low176 Ų176158 Ų15877%0.76576%0.764SS**  trans68.1141.5164.2-41.7-156.8178.3-163.30119.7
329A29.2Very low29.1Very low101 Ų101161.4 Ų161.484%0.83577%0.766SS**  cis90.3138.115.300000116.7
330D27.8Very low29Very low141 Ų141161 Ų16175%0.75476%0.764SS**  cis-168.4176.6-8.9175.943.4000110.6
331L30Very low29Very low137 Ų137164 Ų16472%0.71778%0.775SS**  trans139.3118.2141.4-71.8167000120.6
332T25.9Very low29.6Very low119 Ų119161.4 Ų161.473%0.7378%0.777SS**  trans59.9124.3137.457.10000127.9
333R29Very low29.7Very low241 Ų241160.4 Ų160.491%0.90977%0.773SS**  30.2154.8126.1-82-178.7173.3172.10.5122.6
334P37.9Very low29.7Very low124 Ų124160.1 Ų160.181%0.80577%0.771SS**  cis-150.3-150.539.344-20.2000119
335K26.9Very low29.5Very low192 Ų192158.4 Ų158.484%0.83577%0.767SS**  trans-70.2179.7-167.1-50.6176.7178.2177.30115.9
336R29Very low30.5Very low212 Ų212155.7 Ų155.780%0.877%0.767SS**  cis174.7154.848.4-141.4-173.2-176.8165.90.3114.9
337K29.9Very low30.2Very low182 Ų182153.8 Ų153.879%0.79177%0.769SS**  trans66.6168.9156.7-67.5-162.2-179.1-173.50120.4
338Y25Very low30.1Very low201 Ų201154 Ų15479%0.78878%0.779SS**  cis-173.4-179.1-45.1-150.7-103.3000110.3
339E29.4Very low29.8Very low126 Ų126150.2 Ų150.259%0.58978%0.781SS**  trans74159.6174.5-59.8-68.1101.400117.8
340K29Very low29.7Very low170 Ų170150.2 Ų150.274%0.73978%0.781SS**  cis-156.7172-46.4-119.9-160.2-160.280.50111.1
341K31.1Very low29.6Very low196 Ų196149.9 Ų149.985%0.85278%0.784SS**  trans-72.1163.1178.4-82.4179.3-178.8177.70113.2
342P36.9Very low30Very low138 Ų138148.5 Ų148.590%0.89678%0.783SS**  -148.1-150.156.243.5-20.8000117.9
343K29.6Very low30.1Very low173 Ų173151.7 Ų151.775%0.75279%0.79SS**  trans-149.8140.5-151.9166.6-168.5176.1-174.50111.3
344V26.9Very low30Very low142 Ų142148.3 Ų148.386%0.86179%0.785SS**  trans-138.5161.7169.4-174.80000110.2
345L25.8Very low29.8Very low135 Ų135147.9 Ų147.971%0.70778%0.781SS**  trans-134.5177.8-173-90.8169.7000111
346P50.4Low29.6Very low113 Ų113143.4 Ų143.473%0.73478%0.775SS**  trans-109.9-174.4-145.443.7-40.1000116.9
347S24.1Very low30.2Very low103 Ų103138.9 Ų138.972%0.7277%0.773SS**  trans-144.1135.8158.4-111.20000108.3
348S26.8Very low30Very low111 Ų111135 Ų13578%0.77677%0.774SS**  71.1133.382-53.20000113.4
349A25.9Very low30.1Very low98 Ų98130 Ų13081%0.8177%0.774SS**  cis-167-166.9-8.100000110
350A26.5Very low30Very low101 Ų101131.9 Ų131.984%0.83579%0.788SS**  trans93.1149.816400000120.1
351T25.6Very low30.5Very low133 Ų133128.8 Ų128.882%0.81679%0.785SS**  trans-125.9-175.9178.752.20000108
352P38.1Very low30.3Very low108 Ų108125.2 Ų125.270%0.70178%0.779SS**  cis-132.6-164.9-4.227.1-1.5000114.3
353Q28.8Very low29.9Very low187 Ų187128.9 Ų128.987%0.87478%0.782SS**  trans108.7147.1153.1-59-169.7-19.700119.9
354Q26.9Very low29.8Very low170 Ų170125.5 Ų125.579%0.79478%0.78SS**  trans-93.7175.7-179-73.2-86.1-12.900110
355P32.7Very low29.9Very low114 Ų114122.4 Ų122.474%0.7477%0.769SS**  cis-132-173.18.540.3-21.5000115.9
356S22.5Very low30.3Very low99 Ų99124.8 Ų124.869%0.69277%0.774SS**  trans-82.6-179.416959.50000111.9
357P41.1Very low29.4Very low117 Ų117124.4 Ų124.476%0.7677%0.766SS**  cis-142164.712.743.3-24.1000120
358A27.1Very low29.8Very low99 Ų99127 Ų12782%0.81877%0.771SS**  trans36.5121.9143.800000123.5
359A26.2Very low30.2Very low96 Ų96126.5 Ų126.579%0.79376%0.759SS**  -176.3126.9110.700000113.7
360L27.1Very low30.5Very low167 Ų167128.4 Ų128.487%0.87475%0.751SS**  trans25.5169.6138.3-60.6-179.6000123
361P39.3Very low30.7Very low105 Ų105132.7 Ų132.768%0.68275%0.747SS**  cis-132.9165.4-16.323.6-0.1000116.3
362V28.1Very low31.1Very low121 Ų121131.5 Ų131.573%0.73374%0.736SS**  trans32.5126.2139.3-174.80000121.2
363F28.3Very low30.7Very low215 Ų215134.7 Ų134.794%0.94374%0.739SS**  trans-131.2163.5131.1-125-91.3000110.3
364S27.2Very low31.5Very low101 Ų101131.6 Ų131.671%0.70674%0.735SS**  trans-147.6172.6-158.7-170.30000114.2
365A29.3Very low31.5Very low78 Ų78128.5 Ų128.565%0.64573%0.732SS**  trans91.8114152.500000120.6
366K34.3Very low31.4Very low184 Ų184127.7 Ų127.780%0.873%0.73SS**  75.8157.1125.1-69.2-164169.6-173.10120.5
367D31.6Very low31.7Very low106 Ų106129.5 Ų129.557%0.56773%0.731SS**  cis-170.8147-31.6-110.9-17.2000108.8
368L33.2Very low31.3Very low158 Ų158131.7 Ų131.783%0.82773%0.731SS**  trans179.3116.5136.5-118.754.9000107.8
369N35Very low31.7Very low100 Ų100133.2 Ų133.254%0.53572%0.722SS.*  67.214255-59.7-37.2000112.8
370Q32Very low32.3Very low137 Ų137133.6 Ų133.664%0.6472%0.716SS**  cis-164.3-175.3-7.1-115.1170.5-25.900107.6
371Y31Very low32.4Very low192 Ų192131.6 Ų131.675%0.75371%0.705SS**  cis-133.6-151.68.8-137.4-76.9000110.8
372D33.2Very low32Very low107 Ų107132.4 Ų132.457%0.57271%0.714SS**  trans-167166.3-136.3-147-10.8000114.6
373F30.7Very low32.1Very low175 Ų175134.8 Ų134.877%0.76872%0.717SS**  trans58.7177155-83.5-51.8000120.9
374P44.6Very low32.2Very low123 Ų123131.2 Ų131.280%0.79971%0.712SS**  cis-112.31759.741.6-27.3000115.5
375S26.2Very low32.3Very low105 Ų105133.9 Ų133.973%0.73472%0.718SS**  cis-161.8155.645.3-179.10000116.4
376S32Very low32.4Very low97 Ų97136 Ų13668%0.67873%0.728SS**  trans-14.4158.9158-85.80000120.7
377D27.2Very low32.7Very low137 Ų137131 Ų13173%0.73373%0.729SS**  cis-141.4147.13-94-13.6000106.5
378E32.6Very low33.1Very low162 Ų162131.4 Ų131.476%0.75774%0.74SS**  64.1148.453.8-55.1-64.58000113.7
379E36.2Very low33.5Very low132 Ų132128.1 Ų128.162%0.61773%0.73SS**  cis-169.9-174.7-34.3-110.9-7383.500104.6L381E379-L381 PolarHBondContact OE1-N 3.25Å; E379-L381 PolarHBondContact OE2-N 2.89Å
380P39.7Very low33.9Very low104 Ų104131.4 Ų131.468%0.67574%0.742SS**  cis-129153.11.339.9-21.6000118.9
381L28.6Very low34.5Very low124 Ų124129 Ų12965%0.64975%0.745SS**  trans43.6126.5140-72.2162.6000122.6E379E379-L381 PolarHBondContact OE1-N 3.25Å; E379-L381 PolarHBondContact OE2-N 2.89Å
382S30.1Very low35.2Very low123 Ų123126.6 Ų126.686%0.8674%0.741SS**  -145.5126128.7-76.50000110.7
383Q31.4Very low36Very low171 Ų171126.9 Ų126.980%0.79974%0.739SS**  trans-67.6156.4170.8-63.1162.1-78.200108.9
384V29.7Very low37.1Very low139 Ų139126.3 Ų126.384%0.84274%0.739SS**  cis-146.7152.842.8172.20000111.8
385L29.8Very low37.2Very low158 Ų158127.3 Ų127.383%0.82774%0.738SS**  trans-66.5137.6174.9-63.9157.4000113.2
386S31.1Very low38.6Very low121 Ų121124.8 Ų124.885%0.84672%0.716SS**  163.5120.9114.1-72.30000111.9
387G40.6Very low40Very low81 Ų81126.1 Ų126.184%0.83572%0.722SS**  trans-117.4114.316300000110
388S41.2Very low41.8Very low114 Ų114126.1 Ų126.180%0.79772%0.722SS**  trans-174.7115.7159.9-174.60000109.1
389S40.6Very low43.2Very low88 Ų88119.6 Ų119.662%0.61570%0.699SS**  trans-160.4-15.316766.50000115.6A391 E392S389-A391 PolarHBondContact O-N 3.42Å; S389-E392 PolarHBondContact O-N 3.2Å
390E42.8Very low44Very low170 Ų170117.7 Ų117.779%0.79470%0.697SS**G310 helixtrans-61.8-28.5176.7-71176.8112.800112.3E392 E393E390-E392 VanDerWaalsContact C-N 3.26Å; E390-E392 PolarHBondContact O-N 3.16Å; E390-E393 PolarHBondContact O-N 3.12Å
391A45.4Very low44.6Very low85 Ų85122.5 Ų122.570%0.70271%0.708SS**G310 helixtrans-71.7-11.7-18000000115S389S389-A391 PolarHBondContact O-N 3.42Å
392E46.1Very low46Very low143 Ų143118.3 Ų118.367%0.66869%0.692SS**G310 helixtrans-108.613.2176.1-66.2-165.8159.500113S389 E390 R404S389-E392 PolarHBondContact O-N 3.2Å; E390-E392 VanDerWaalsContact C-N 3.26Å; E390-E392 PolarHBondContact O-N 3.16Å; E392-R404 PolarHBondContact O-NH2 3.32Å
393E49.5Very low47.5Very low113 Ų113120 Ų12053%0.52868%0.684SS.*SBendtrans-93.8-19.2179.9-161.4163-145.700112.9E390E390-E393 PolarHBondContact O-N 3.12Å
394E52.8Low49.4Very low162 Ų162117.9 Ų117.976%0.75767%0.668SS**SBendtrans-92.8-7.7-177.4-164.8169.3-146.800114.3
395N47.4Very low51.4Low145 Ų145119.2 Ų119.278%0.77566%0.658SS**SBendtrans-12016-174.4-85.1-103.7000114.6
396D56.5Low53.5Low51 Ų51119 Ų11927%0.27365%0.651SS.*  trans-96.7118.4178.5-167-14.8000110.8D398 G399 R404D396-D398 PolarHBondContact O-N 3.46Å; D396-G399 PolarHBondContact O-N 3.08Å; D396-G399 VanDerWaalsContact O-N 3.08Å; D396-R404 IonicContact OD2-CZ 2.96Å; D396-R404 IonicContact OD2-NE 2.63Å; D396-R404 PolarHBondContact OD2-NE 3.03Å; D396-R404 VanDerWaalsContact OD2-NE 3.14Å; D396-R404 IonicContact OD2-NH2 2.6Å; D396-R404 PolarHBondContact OD2-NH2 3.04Å
397P60.2Low54.7Low126 Ų126118.3 Ų118.382%0.81865%0.652SS**THydrogen-bonded Turntrans-64.8-19.4-173.425.5-35.5000115.1G399P397-G399 VanDerWaalsContact C-N 3.32Å
398D65.8Low56.1Low137 Ų137118.7 Ų118.773%0.73366%0.656SS**THydrogen-bonded Turntrans-83.3-6.9176.7-73.8-16.2000113.3D396 A402D396-D398 PolarHBondContact O-N 3.46Å; D398-A402 HydrophobicContact CB-CB 3.79Å
399G61.2Low56.9Low25 Ų25116.4 Ų116.426%0.25864%0.639SS.*  trans79.5173.5169.100000116.8D396 P397 F401 A402D396-G399 PolarHBondContact O-N 3.08Å; D396-G399 VanDerWaalsContact O-N 3.08Å; P397-G399 VanDerWaalsContact C-N 3.32Å; G399-F401 PolarHBondContact O-N 2.84Å; G399-A402 WeakPolarHBondContact O-CB 3.42Å; G399-A402 PolarHBondContact O-N 3.31Å
400P52.8Low57.9Low91 Ų91120.1 Ų120.159%0.59165%0.647SS**THydrogen-bonded Turntrans-73.413.1-16430.8-38.4000115.7
401F52.5Low59Low205 Ų205115.5 Ų115.590%0.89962%0.622SS**THydrogen-bonded Turntrans-127.29.1173.2-59.1-66.5000112.8G399G399-F401 PolarHBondContact O-N 2.84Å
402A59.5Low59.7Low37 Ų37120.8 Ų120.831%0.30663%0.626SS.*  trans-62.6139.6174.400000111.8D398 G399 R404D398-A402 HydrophobicContact CB-CB 3.79Å; G399-A402 WeakPolarHBondContact O-CB 3.42Å; G399-A402 PolarHBondContact O-N 3.31Å; A402-R404 PolarHBondContact O-N 3.37Å
403F61Low60Low158 Ų158117.7 Ų117.769%0.69363%0.625SS**  trans-78.490.4-177.8179.4-99.4000111.5R405 Y411F403-R405 HydrophobicContact CE1-CG 4.34Å; F403-Y411 HydrophobicContact CE1-CD1 4.22Å; F403-Y411 HydrophobicContact CE1-CE1 4.19Å; F403-Y411 AromaticContact CZ-CD1 3.98Å; F403-Y411 HydrophobicContact CZ-CD1 3.98Å; F403-Y411 AromaticContact CZ-CE1 3.64Å; F403-Y411 HydrophobicContact CZ-CE1 3.64Å
404R70.6Confident59.8Low127 Ų127117.6 Ų117.648%0.47963%0.634SS.*PPolyproline II helixtrans-77.6129.3173.4-70.1-176.3169.1-170.30.5111.6E392 D396 A402E392-R404 PolarHBondContact O-NH2 3.32Å; D396-R404 IonicContact OD2-CZ 2.96Å; D396-R404 IonicContact OD2-NE 2.63Å; D396-R404 PolarHBondContact OD2-NE 3.03Å; D396-R404 VanDerWaalsContact OD2-NE 3.14Å; D396-R404 IonicContact OD2-NH2 2.6Å; D396-R404 PolarHBondContact OD2-NH2 3.04Å; A402-R404 PolarHBondContact O-N 3.37Å
405R72.8Confident59.5Low166 Ų166117 Ų11763%0.62663%0.631SS**PPolyproline II helixtrans-73.5127174.7-69.5-176.6177.9-141.4-7.1110.1F403 Y411F403-R405 HydrophobicContact CE1-CG 4.34Å; R405-Y411 HydrophobicContact CB-CD2 3.75Å; R405-Y411 HydrophobicContact CB-CE2 3.51Å; R405-Y411 HydrophobicContact CG-CD2 3.63Å; R405-Y411 HydrophobicContact CG-CE2 3.85Å; R405-Y411 HydrophobicContact CG-CG 4.13Å; R405-Y411 PolarHBondContact NH1-O 3.2Å
406K73.3Confident59.6Low155 Ų155116.9 Ų116.967%0.67463%0.629SS**PPolyproline II helixtrans-68.1135.9171.8-81.1-166.3169.4-168.50111.3C409 Y411K406-C409 HydrophobicContact CB-CB 4.25Å; K406-C409 PolarHBondContact O-N 2.91Å; K406-Y411 PolarHBondContact N-OH 2.85Å
407A55.7Low59.2Low106 Ų106121.9 Ų121.988%0.87666%0.656SS**THydrogen-bonded Turntrans-56.6139.1168.300000110.7C409A407-C409 VanDerWaalsContact C-N 3.25Å; A407-C409 PolarHBondContact O-N 2.86Å
408G69.4Low58.5Low88 Ų88121.7 Ų121.791%0.90764%0.644SS**THydrogen-bonded Turntrans80.1-12.3-175.400000115.7
409C58.3Low57.6Low66 Ų66121.1 Ų121.145%0.44665%0.646SS.*  trans-92.2123.7175.2-65.60000111.4K406 A407 Y411K406-C409 HydrophobicContact CB-CB 4.25Å; K406-C409 PolarHBondContact O-N 2.91Å; A407-C409 VanDerWaalsContact C-N 3.25Å; A407-C409 PolarHBondContact O-N 2.86Å; C409-Y411 HydrophobicContact CB-CD2 4.18Å; C409-Y411 HydrophobicContact CB-CE2 3.45Å; C409-Y411 VanDerWaalsContact CB-CE2 3.45Å; C409-Y411 WeakPolarHBondContact O-CD2 3.41Å; C409-Y411 WeakPolarHBondContact O-CE2 3.34Å
410Q62.2Low57Low166 Ų166122 Ų12278%0.77665%0.654SS**  trans-81.1118.1170.1-75.8178.2-27.100110.2
411Y66.1Low56.7Low73 Ų73121.9 Ų121.929%0.28665%0.649SS.*  trans-106.8105.3177.4-63.2-88.6000109.8F403 R405 K406 C409F403-Y411 HydrophobicContact CE1-CD1 4.22Å; F403-Y411 HydrophobicContact CE1-CE1 4.19Å; F403-Y411 AromaticContact CZ-CD1 3.98Å; F403-Y411 HydrophobicContact CZ-CD1 3.98Å; F403-Y411 AromaticContact CZ-CE1 3.64Å; F403-Y411 HydrophobicContact CZ-CE1 3.64Å; R405-Y411 HydrophobicContact CB-CD2 3.75Å; R405-Y411 HydrophobicContact CB-CE2 3.51Å; R405-Y411 HydrophobicContact CG-CD2 3.63Å; R405-Y411 HydrophobicContact CG-CE2 3.85Å; R405-Y411 HydrophobicContact CG-CG 4.13Å; R405-Y411 PolarHBondContact NH1-O 3.2Å; K406-Y411 PolarHBondContact N-OH 2.85Å; C409-Y411 HydrophobicContact CB-CD2 4.18Å; C409-Y411 HydrophobicContact CB-CE2 3.45Å; C409-Y411 VanDerWaalsContact CB-CE2 3.45Å; C409-Y411 WeakPolarHBondContact O-CD2 3.41Å; C409-Y411 WeakPolarHBondContact O-CE2 3.34Å
412Y59.6Low56.9Low197 Ų197118.9 Ų118.977%0.77363%0.632SS**PPolyproline II helixtrans-61.7150.7174.6-60.3-80.9000111.6
413A52.3Low56.5Low78 Ų78121.3 Ų121.365%0.64565%0.645SS**PPolyproline II helixtrans-70152171.100000110.6H415A413-H415 PolarHBondContact O-N 3.24Å
414P45.2Very low56.3Low111 Ų111117 Ų11772%0.72162%0.623SS**PPolyproline II helixtrans-61.4127.7168.9-18.531.8000110.2L416P414-L416 HydrophobicContact CB-CD1 4.3Å; P414-L416 WeakPolarHBondContact O-CD1 3.3Å; P414-L416 PolarHBondContact O-N 3.28Å
415H47.6Very low55.6Low150 Ų150111.9 Ų111.969%0.69461%0.607SS**  trans-71.298.8168.9-89.9-82.4000109.4A413 D417 Q418A413-H415 PolarHBondContact O-N 3.24Å; H415-D417 VanDerWaalsContact C-N 3.26Å; H415-D417 PolarHBondContact O-N 3.26Å; H415-Q418 HydrophobicContact CB-CB 4.34Å
416L48.3Very low54.8Low142 Ų142104.7 Ų104.774%0.74358%0.582SS**THydrogen-bonded Turntrans-62.6-36173.4-91.264.7000111.4P414 Q418P414-L416 HydrophobicContact CB-CD1 4.3Å; P414-L416 WeakPolarHBondContact O-CD1 3.3Å; P414-L416 PolarHBondContact O-N 3.28Å; L416-Q418 PolarHBondContact O-N 2.81Å; L416-Q418 VanDerWaalsContact O-N 3.13Å
417D48.8Very low54.1Low155 Ų155102 Ų10283%0.82958%0.58SS**THydrogen-bonded Turntrans-76.62.9-172-44.9-52.9000114.6H415H415-D417 VanDerWaalsContact C-N 3.26Å; H415-D417 PolarHBondContact O-N 3.26Å
418Q46.1Very low54.2Low123 Ų123106.2 Ų106.258%0.57558%0.579SS**  trans-13070.7-173.6-162.1167.998.100113.1H415 L416 G420H415-Q418 HydrophobicContact CB-CB 4.34Å; L416-Q418 PolarHBondContact O-N 2.81Å; L416-Q418 VanDerWaalsContact O-N 3.13Å; Q418-G420 PolarHBondContact O-N 3.19Å
419T46.4Very low53.6Low125 Ų125105.7 Ų105.777%0.76756%0.555SS**  trans-67.874.117152.60000112.4
420G49Very low53.5Low42 Ų42105.3 Ų105.343%0.43356%0.562SS.*SBendtrans150.761171.400000117.2Q418Q418-G420 PolarHBondContact O-N 3.19Å
421N46.5Very low53.6Low90 Ų9097.8 Ų97.848%0.48153%0.529SS..  trans-152.453154.9-116.8-42.7000112
422W55.4Low53.2Low141 Ų141102.1 Ų102.153%0.53456%0.557SS.*  trans-72.1149.1-175.9-60.9103.9000111.9W424 T425W422-W424 HydrophobicContact CB-CD2 3.77Å; W422-W424 HydrophobicContact CB-CE3 4.34Å; W422-W424 HydrophobicContact CB-CG 4.19Å; W422-W424 HydrophobicContact CB-CH2 4.2Å; W422-W424 HydrophobicContact CB-CZ2 3.59Å; W422-W424 AromaticContact CD2-CH2 3.84Å; W422-W424 HydrophobicContact CD2-CH2 3.84Å; W422-W424 AromaticContact CD2-CZ2 3.44Å; W422-W424 HydrophobicContact CD2-CZ2 3.44Å; W422-W424 VanDerWaalsContact CD2-CZ2 3.44Å; W422-W424 AromaticContact CE3-CH2 3.39Å; W422-W424 HydrophobicContact CE3-CH2 3.39Å; W422-W424 AromaticContact CE3-CZ2 3.54Å; W422-W424 HydrophobicContact CE3-CZ2 3.54Å; W422-W424 HydrophobicContact CE3-CZ3 4.25Å; W422-W424 AromaticContact CG-CE2 3.66Å; W422-W424 HydrophobicContact CG-CH2 4.21Å; W422-W424 AromaticContact CG-CZ2 3.48Å; W422-W424 HydrophobicContact CG-CZ2 3.48Å; W422-W424 VanDerWaalsContact CG-CZ2 3.48Å; W422-W424 AromaticContact CG-NE1 3.75Å; W422-W424 HydrophobicContact CZ3-CH2 4.04Å; W422-W424 HydrophobicContact CZ3-CZ2 4.37Å; W422-W424 PolarHBondContact O-N 2.85Å; W422-T425 PolarHBondContact N-OG1 3.27Å; W422-T425 WeakPolarHBondContact O-CB 3.23Å; W422-T425 PolarHBondContact O-N 3.13Å; W422-T425 PolarHBondContact O-OG1 3.21Å
423P51.3Low53.3Low89 Ų8993.1 Ų93.158%0.57852%0.524SS*.THydrogen-bonded Turntrans-57.8-20.3179.3-27.535.7000115.2L432 G433P423-L432 CarbonylContact O-C 3.59Å; P423-L432 PolarHBondContact O-N 3.28Å; P423-G433 PolarHBondContact O-N 2.85Å; P423-G433 VanDerWaalsContact O-N 3.13Å
424W56.7Low53.7Low66 Ų6692.4 Ų92.425%0.2551%0.509CS..THydrogen-bonded Turntrans-94.99.4177.454.875.4000114.4W422 Y439W422-W424 HydrophobicContact CB-CD2 3.77Å; W422-W424 HydrophobicContact CB-CE3 4.34Å; W422-W424 HydrophobicContact CB-CG 4.19Å; W422-W424 HydrophobicContact CB-CH2 4.2Å; W422-W424 HydrophobicContact CB-CZ2 3.59Å; W422-W424 AromaticContact CD2-CH2 3.84Å; W422-W424 HydrophobicContact CD2-CH2 3.84Å; W422-W424 AromaticContact CD2-CZ2 3.44Å; W422-W424 HydrophobicContact CD2-CZ2 3.44Å; W422-W424 VanDerWaalsContact CD2-CZ2 3.44Å; W422-W424 AromaticContact CE3-CH2 3.39Å; W422-W424 HydrophobicContact CE3-CH2 3.39Å; W422-W424 AromaticContact CE3-CZ2 3.54Å; W422-W424 HydrophobicContact CE3-CZ2 3.54Å; W422-W424 HydrophobicContact CE3-CZ3 4.25Å; W422-W424 AromaticContact CG-CE2 3.66Å; W422-W424 HydrophobicContact CG-CH2 4.21Å; W422-W424 AromaticContact CG-CZ2 3.48Å; W422-W424 HydrophobicContact CG-CZ2 3.48Å; W422-W424 VanDerWaalsContact CG-CZ2 3.48Å; W422-W424 AromaticContact CG-NE1 3.75Å; W422-W424 HydrophobicContact CZ3-CH2 4.04Å; W422-W424 HydrophobicContact CZ3-CZ2 4.37Å; W422-W424 PolarHBondContact O-N 2.85Å; W424-Y439 AromaticContact CD1-CD2 3.64Å; W424-Y439 AromaticContact CD1-CE2 3.96Å; W424-Y439 HydrophobicContact CD2-CD2 4.32Å; W424-Y439 AromaticContact CD2-CE2 3.85Å; W424-Y439 HydrophobicContact CD2-CE2 3.85Å; W424-Y439 AromaticContact CE2-CD2 3.72Å; W424-Y439 AromaticContact CE2-CE2 3.42Å; W424-Y439 VanDerWaalsContact CE2-CE2 3.42Å; W424-Y439 HydrophobicContact CG-CD2 4.23Å; W424-Y439 HydrophobicContact CG-CE2 4.14Å; W424-Y439 HydrophobicContact CH2-CE2 4.5Å; W424-Y439 HydrophobicContact CZ2-CD2 4.3Å; W424-Y439 AromaticContact CZ2-CE2 3.78Å; W424-Y439 HydrophobicContact CZ2-CE2 3.78Å; W424-Y439 AromaticContact NE1-CD2 3.28Å; W424-Y439 VanDerWaalsContact NE1-CD2 3.28Å; W424-Y439 AromaticContact NE1-CE2 3.53Å
425T57.1Low54.4Low21 Ų2191.5 Ų91.513%0.12950%0.501CS..SBendtrans-81154.3172.7-29.30000109.8W422 D429 G431 L432 G433W422-T425 PolarHBondContact N-OG1 3.27Å; W422-T425 WeakPolarHBondContact O-CB 3.23Å; W422-T425 PolarHBondContact O-N 3.13Å; W422-T425 PolarHBondContact O-OG1 3.21Å; T425-D429 HydrophobicContact CG2-CB 3.62Å; T425-G431 CarbonylContact O-C 3.58Å; T425-G431 VanDerWaalsContact O-C 3.22Å; T425-G431 VanDerWaalsContact O-CA 3.25Å; T425-G431 WeakPolarHBondContact O-CA 3.39Å; T425-L432 PolarHBondContact O-N 2.95Å; T425-G433 WeakPolarHBondContact O-CA 3.01Å; T425-G433 PolarHBondContact O-N 2.73Å
426S56Low55Low15 Ų1593.6 Ų93.611%0.10550%0.503CS..  trans-61.9149.2-176.7-177.70000112.3K428 D429 G430 G431S426-K428 PolarHBondContact O-N 3.5Å; S426-K428 VanDerWaalsContact O-N 3.09Å; S426-K428 PolarHBondContact OG-N 3.27Å; S426-D429 CarbonylContact O-C 3.53Å; S426-D429 WeakPolarHBondContact O-CA 3.09Å; S426-D429 PolarHBondContact O-N 3.43Å; S426-G430 PolarHBondContact O-N 3.41Å; S426-G431 PolarHBondContact O-N 3.29Å
427P59.1Low55.6Low98 Ų9892.4 Ų92.464%0.63649%0.49SS*.THydrogen-bonded Turntrans-55-22.1166.6-2836.3000114.6D429 G431 G433P427-D429 VanDerWaalsContact C-N 3.32Å; P427-G431 VanDerWaalsContact CA-O 3.24Å; P427-G431 WeakPolarHBondContact CA-O 3.14Å; P427-G433 WeakPolarHBondContact CD-O 3.24Å
428K57.6Low56.6Low194 Ų19491 Ų9184%0.84347%0.473SS*.THydrogen-bonded Turntrans-77-18.7173.1-59.8-170.9178.4-172.60113.7S426S426-K428 PolarHBondContact O-N 3.5Å; S426-K428 VanDerWaalsContact O-N 3.09Å; S426-K428 PolarHBondContact OG-N 3.27Å
429D55.8Low57.7Low77 Ų7787 Ų8741%0.41245%0.453SS..THydrogen-bonded Turntrans-108.17.2-177.6-56-15.9000111.6T425 S426 P427 R438T425-D429 HydrophobicContact CG2-CB 3.62Å; S426-D429 CarbonylContact O-C 3.53Å; S426-D429 WeakPolarHBondContact O-CA 3.09Å; S426-D429 PolarHBondContact O-N 3.43Å; P427-D429 VanDerWaalsContact C-N 3.32Å; D429-R438 IonicContact OD2-CZ 3.92Å; D429-R438 IonicContact OD2-NH1 2.68Å; D429-R438 PolarHBondContact OD2-NH1 2.89Å; D429-R438 IonicContact OD2-NH2 3.94Å
430G55.9Low58.9Low58 Ų5883.8 Ų83.860%0.59843%0.434SS*.THydrogen-bonded Turntrans95.2-4-178.900000116.5S426S426-G430 PolarHBondContact O-N 3.41Å
431G64.9Low60.1Low8 Ų884.2 Ų84.28%0.08243%0.427CS..  trans-95.4-178.3-178.300000115.3T425 S426 P427T425-G431 CarbonylContact O-C 3.58Å; T425-G431 VanDerWaalsContact O-C 3.22Å; T425-G431 VanDerWaalsContact O-CA 3.25Å; T425-G431 WeakPolarHBondContact O-CA 3.39Å; S426-G431 PolarHBondContact O-N 3.29Å; P427-G431 VanDerWaalsContact CA-O 3.24Å; P427-G431 WeakPolarHBondContact CA-O 3.14Å
432L58.2Low61.5Low164 Ų16481 Ų8186%0.85941%0.41SS*.  trans-110.213.1-179.9-63.3175.1000113.1P423 T425P423-L432 CarbonylContact O-C 3.59Å; P423-L432 PolarHBondContact O-N 3.28Å; T425-L432 PolarHBondContact O-N 2.95Å
433G60.8Low62.5Low9 Ų978.3 Ų78.39%0.09341%0.41CS..  trans-100133.5-167.100000114.9P423 T425 P427 V435P423-G433 PolarHBondContact O-N 2.85Å; P423-G433 VanDerWaalsContact O-N 3.13Å; T425-G433 WeakPolarHBondContact O-CA 3.01Å; T425-G433 PolarHBondContact O-N 2.73Å; P427-G433 WeakPolarHBondContact CD-O 3.24Å; G433-V435 PolarHBondContact O-N 3.47Å
434D61.1Low63.5Low62 Ų6276.4 Ų76.433%0.33239%0.394SS..  trans-60.6127.7161.7169.4-2.8000110R436 Y437D434-R436 PolarHBondContact O-N 2.81Å; D434-R436 WeakPolarHBondContact OD1-CB 3.41Å; D434-R436 WeakPolarHBondContact OD1-CG 3.39Å; D434-R436 PolarHBondContact OD1-N 3.34Å; D434-R436 IonicContact OD1-NE 3.33Å; D434-R436 PolarHBondContact OD1-NE 3.46Å; D434-R436 IonicContact OD2-CZ 2.81Å; D434-R436 IonicContact OD2-NE 3.85Å; D434-R436 PolarHBondContact OD2-NE 2.97Å; D434-R436 IonicContact OD2-NH2 3.55Å; D434-R436 PolarHBondContact OD2-NH2 2.88Å; D434-Y437 HydrophobicContact CB-CD2 3.85Å; D434-Y437 HydrophobicContact CB-CE2 3.96Å; D434-Y437 PolarHBondContact O-N 3.13Å
435V59.3Low64.2Low92 Ų9277.1 Ų77.156%0.55841%0.406SS*.G310 helixtrans-50.6-28.3-177.6-175.20000112.6G433 Y437 R438G433-V435 PolarHBondContact O-N 3.47Å; V435-Y437 PolarHBondContact O-N 2.97Å; V435-Y437 VanDerWaalsContact O-N 3.13Å; V435-R438 WeakPolarHBondContact O-CB 3.15Å; V435-R438 PolarHBondContact O-N 2.96Å
436R59.9Low64.5Low194 Ų19482.4 Ų82.473%0.73244%0.438SS*.G310 helixtrans-62.1-15176.6-65.1-178.7-67.8-173.70.3114.4D434D434-R436 PolarHBondContact O-N 2.81Å; D434-R436 WeakPolarHBondContact OD1-CB 3.41Å; D434-R436 WeakPolarHBondContact OD1-CG 3.39Å; D434-R436 PolarHBondContact OD1-N 3.34Å; D434-R436 IonicContact OD1-NE 3.33Å; D434-R436 PolarHBondContact OD1-NE 3.46Å; D434-R436 IonicContact OD2-CZ 2.81Å; D434-R436 IonicContact OD2-NE 3.85Å; D434-R436 PolarHBondContact OD2-NE 2.97Å; D434-R436 IonicContact OD2-NH2 3.55Å; D434-R436 PolarHBondContact OD2-NH2 2.88Å
437Y62.1Low64.8Low117 Ų11785.7 Ų85.746%0.45946%0.459SS..G310 helixtrans-1117.9178.9-51.8-71.6000114.2D434 V435 R455D434-Y437 HydrophobicContact CB-CD2 3.85Å; D434-Y437 HydrophobicContact CB-CE2 3.96Å; D434-Y437 PolarHBondContact O-N 3.13Å; V435-Y437 PolarHBondContact O-N 2.97Å; V435-Y437 VanDerWaalsContact O-N 3.13Å; Y437-R455 VanDerWaalsContact O-CD 3.29Å; Y437-R455 WeakPolarHBondContact O-CD 3.39Å
438R69.6Low65.2Low127 Ų12786.9 Ų86.948%0.47946%0.456SS..  trans-61.3140.3174.2-172.8177.7-176.4125.12.7110.5D429 V435D429-R438 IonicContact OD2-CZ 3.92Å; D429-R438 IonicContact OD2-NH1 2.68Å; D429-R438 PolarHBondContact OD2-NH1 2.89Å; D429-R438 IonicContact OD2-NH2 3.94Å; V435-R438 WeakPolarHBondContact O-CB 3.15Å; V435-R438 PolarHBondContact O-N 2.96Å
439Y69.2Low65.9Low39 Ų3982.4 Ų82.415%0.15343%0.434CS..  trans-76.5136.3169.3-71.2-106.2000110.2W424 A454 R455 D467 A469W424-Y439 AromaticContact CD1-CD2 3.64Å; W424-Y439 AromaticContact CD1-CE2 3.96Å; W424-Y439 HydrophobicContact CD2-CD2 4.32Å; W424-Y439 AromaticContact CD2-CE2 3.85Å; W424-Y439 HydrophobicContact CD2-CE2 3.85Å; W424-Y439 AromaticContact CE2-CD2 3.72Å; W424-Y439 AromaticContact CE2-CE2 3.42Å; W424-Y439 VanDerWaalsContact CE2-CE2 3.42Å; W424-Y439 HydrophobicContact CG-CD2 4.23Å; W424-Y439 HydrophobicContact CG-CE2 4.14Å; W424-Y439 HydrophobicContact CH2-CE2 4.5Å; W424-Y439 HydrophobicContact CZ2-CD2 4.3Å; W424-Y439 AromaticContact CZ2-CE2 3.78Å; W424-Y439 HydrophobicContact CZ2-CE2 3.78Å; W424-Y439 AromaticContact NE1-CD2 3.28Å; W424-Y439 VanDerWaalsContact NE1-CD2 3.28Å; W424-Y439 AromaticContact NE1-CE2 3.53Å; Y439-A454 WeakPolarHBondContact CA-O 3.29Å; Y439-R455 HydrophobicContact CD1-CB 4.08Å; Y439-R455 HydrophobicContact CD1-CG 4.07Å; Y439-R455 HydrophobicContact CD2-CB 4.17Å; Y439-R455 HydrophobicContact CD2-CG 4.17Å; Y439-R455 HydrophobicContact CE1-CB 4.3Å; Y439-R455 HydrophobicContact CE1-CG 3.76Å; Y439-R455 HydrophobicContact CE2-CB 4.44Å; Y439-R455 HydrophobicContact CE2-CG 3.93Å; Y439-R455 HydrophobicContact CG-CB 4.01Å; Y439-R455 HydrophobicContact CG-CG 4.26Å; Y439-D467 HydrophobicContact CE1-CB 4.3Å; Y439-D467 VanDerWaalsContact CE1-O 3.26Å; Y439-D467 WeakPolarHBondContact CE1-O 3.48Å; Y439-A469 HydrophobicContact CD1-CB 3.59Å; Y439-A469 HydrophobicContact CE1-CB 3.59Å; Y439-A469 HydrophobicContact CG-CB 4.27Å
440C71.3Confident67Low56 Ų5679.3 Ų79.338%0.37842%0.418SS..EExtended strand (participates in β ladder)trans-133.8153.917754.70000110.8T442 A454C440-T442 PolarHBondContact O-N 2.87Å; C440-T442 VanDerWaalsContact O-N 3.12Å; C440-T442 PolarHBondContact O-OG1 3.03Å; C440-A454 PolarHBondContact N-O 3.05Å; C440-A454 PolarHBondContact O-N 2.78Å; C440-A454 VanDerWaalsContact O-O 3.06Å
441L75.1Confident67.9Low51 Ų5177.5 Ų77.527%0.26740%0.395SS..EExtended strand (participates in β ladder)trans-61.2116.8175.4-174.662.7000108.7F453 F477 I520L441-F453 HydrophobicContact CB-CE1 4.25Å; L441-F477 HydrophobicContact CD1-CD1 3.85Å; L441-F477 HydrophobicContact CD1-CD2 4.19Å; L441-F477 HydrophobicContact CD1-CE1 3.75Å; L441-F477 HydrophobicContact CD1-CE2 4.1Å; L441-F477 HydrophobicContact CD1-CG 4.09Å; L441-F477 HydrophobicContact CD1-CZ 3.89Å; L441-F477 HydrophobicContact CD2-CE1 4.05Å; L441-I520 HydrophobicContact CD2-CD1 3.65Å
442T75.6Confident68.5Low23 Ų2377.1 Ų77.114%0.14139%0.391CS..EExtended strand (participates in β ladder)trans-120126.7-165.9-65.60000110.9C440 L451 G452 A454C440-T442 PolarHBondContact O-N 2.87Å; C440-T442 VanDerWaalsContact O-N 3.12Å; C440-T442 PolarHBondContact O-OG1 3.03Å; T442-L451 HydrophobicContact CG2-CD1 4.36Å; T442-L451 PolarHBondContact O-N 2.92Å; T442-G452 PolarHBondContact N-O 2.85Å; T442-A454 HydrophobicContact CG2-CB 4.38Å
443T75.6Confident69.5Low85 Ų8572.9 Ų72.952%0.52137%0.365SS..EExtended strand (participates in β ladder)trans-105144.7169.350.40000111.1R449 C450T443-R449 CarbonylContact C-O 3.53Å; T443-R449 VanDerWaalsContact CA-O 3.24Å; T443-R449 WeakPolarHBondContact CA-O 3.41Å; T443-C450 HydrophobicContact CG2-CB 4.29Å
444L72.5Confident70.3Confident49 Ų4972.5 Ų72.526%0.25736%0.361SS..EExtended strand (participates in β ladder)trans-92.6155.5165.1-63.8-176.7000110P447 Q448 R449 L451 L466L444-P447 WeakPolarHBondContact CB-O 3.26Å; L444-Q448 WeakPolarHBondContact O-CA 3.46Å; L444-R449 HydrophobicContact CB-CG 4.23Å; L444-R449 HydrophobicContact CD1-CG 4.25Å; L444-R449 HydrophobicContact CG-CG 4.47Å; L444-R449 PolarHBondContact N-O 2.86Å; L444-R449 PolarHBondContact O-N 2.82Å; L444-L451 HydrophobicContact CD1-CD1 4.05Å; L444-L451 HydrophobicContact CD1-CD2 4.08Å; L444-L451 HydrophobicContact CD1-CG 4.29Å; L444-L451 HydrophobicContact CD2-CD1 3.89Å; L444-L451 HydrophobicContact CG-CD1 3.74Å; L444-L451 HydrophobicContact CG-CD2 4.31Å; L444-L451 HydrophobicContact CG-CG 3.99Å; L444-L466 HydrophobicContact CD2-CD1 3.85Å
445T71.1Confident71.1Confident81 Ų8172.1 Ų72.150%0.49736%0.355SS..EExtended strand (participates in β ladder)trans-98.1-25175.2-39.50000112.7Q448T445-Q448 WeakPolarHBondContact O-CG 3.29Å; T445-Q448 PolarHBondContact O-N 3.34Å
446V63.9Low71.8Confident132 Ų13274 Ų7480%0.835%0.353SS*.THydrogen-bonded Turntrans-144.2115.4177.7-175.20000109.9
447P62.2Low72.5Confident84 Ų8470.2 Ų70.255%0.54534%0.338SS..THydrogen-bonded Turncis-52.8150.8-22.928.2-35.5000110L444 R449L444-P447 WeakPolarHBondContact CB-O 3.26Å; P447-R449 HydrophobicContact CG-CG 4.47Å; P447-R449 PolarHBondContact O-N 3.09Å
448Q66.6Low73.1Confident122 Ų12269.2 Ų69.257%0.5734%0.344SS*.EExtended strand (participates in β ladder)trans-64.1120.3169-71.7-164.67.400107.9L444 T445L444-Q448 WeakPolarHBondContact O-CA 3.46Å; T445-Q448 WeakPolarHBondContact O-CG 3.29Å; T445-Q448 PolarHBondContact O-N 3.34Å
449R73.3Confident73.2Confident101 Ų10164.1 Ų64.138%0.38133%0.331SS..EExtended strand (participates in β ladder)trans-164.2153.5174.263.2178.3-176.71800.8114.5T443 L444 P447 L451 D481T443-R449 CarbonylContact C-O 3.53Å; T443-R449 VanDerWaalsContact CA-O 3.24Å; T443-R449 WeakPolarHBondContact CA-O 3.41Å; L444-R449 HydrophobicContact CB-CG 4.23Å; L444-R449 HydrophobicContact CD1-CG 4.25Å; L444-R449 HydrophobicContact CG-CG 4.47Å; L444-R449 PolarHBondContact N-O 2.86Å; L444-R449 PolarHBondContact O-N 2.82Å; P447-R449 HydrophobicContact CG-CG 4.47Å; P447-R449 PolarHBondContact O-N 3.09Å; R449-L451 HydrophobicContact CG-CD2 4.25Å; R449-D481 WeakPolarHBondContact CA-OD1 3.14Å; R449-D481 VanDerWaalsContact CB-CG 3.43Å; R449-D481 WeakPolarHBondContact CB-OD1 3.35Å; R449-D481 VanDerWaalsContact CB-OD2 3.24Å; R449-D481 WeakPolarHBondContact CB-OD2 3.34Å
450C78.8Confident73Confident11 Ų1174.1 Ų74.17%0.07437%0.369CS..EExtended strand (participates in β ladder)trans-82.7133.3166.1-161.80000110.7T443T443-C450 HydrophobicContact CG2-CB 4.29Å
451L74.1Confident73Confident21 Ų2175.3 Ų75.311%0.1139%0.39CS..EExtended strand (participates in β ladder)trans-98.8-0.6177-66-178.3000113.7T442 L444 R449 L466 R468T442-L451 HydrophobicContact CG2-CD1 4.36Å; T442-L451 PolarHBondContact O-N 2.92Å; L444-L451 HydrophobicContact CD1-CD1 4.05Å; L444-L451 HydrophobicContact CD1-CD2 4.08Å; L444-L451 HydrophobicContact CD1-CG 4.29Å; L444-L451 HydrophobicContact CD2-CD1 3.89Å; L444-L451 HydrophobicContact CG-CD1 3.74Å; L444-L451 HydrophobicContact CG-CD2 4.31Å; L444-L451 HydrophobicContact CG-CG 3.99Å; R449-L451 HydrophobicContact CG-CD2 4.25Å; L451-L466 HydrophobicContact CD1-CD1 3.95Å; L451-R468 WeakPolarHBondContact O-CD 3.24Å; L451-R468 PolarHBondContact O-NE 2.99Å
452G79.1Confident72.9Confident0 Ų075.4 Ų75.40%040%0.404CS..EExtended strand (participates in β ladder)trans72.5-150.3-162.800000111.5T442T442-G452 PolarHBondContact N-O 2.85Å
453F78.4Confident72.5Confident74 Ų7481.5 Ų81.533%0.32542%0.424SS..EExtended strand (participates in β ladder)trans-81119-179.2-73.2-83.6000111.9L441 A469 F477L441-F453 HydrophobicContact CB-CE1 4.25Å; F453-A469 PolarHBondContact O-N 2.64Å; F453-F477 HydrophobicContact CD2-CE2 4.06Å; F453-F477 AromaticContact CE2-CE2 3.75Å; F453-F477 HydrophobicContact CE2-CE2 3.75Å; F453-F477 AromaticContact CE2-CZ 3.95Å; F453-F477 HydrophobicContact CE2-CZ 3.95Å
454A78.4Confident72.5Confident1 Ų181 Ų811%0.00842%0.421CS..EExtended strand (participates in β ladder)trans-133.1157.1176.500000111.9Y439 C440 T442 D467Y439-A454 WeakPolarHBondContact CA-O 3.29Å; C440-A454 PolarHBondContact N-O 3.05Å; C440-A454 PolarHBondContact O-N 2.78Å; C440-A454 VanDerWaalsContact O-O 3.06Å; T442-A454 HydrophobicContact CG2-CB 4.38Å; A454-D467 CarbonylContact C-O 3.58Å; A454-D467 WeakPolarHBondContact CA-O 3.31Å; A454-D467 WeakPolarHBondContact CB-O 3.28Å
455R77.8Confident72.7Confident55 Ų5582 Ų8221%0.20843%0.426CS..EExtended strand (participates in β ladder)trans-118.7146.7167.866.3171.9-175.5-151.3-6.1110.6Y437 Y439 L466 D467Y437-R455 VanDerWaalsContact O-CD 3.29Å; Y437-R455 WeakPolarHBondContact O-CD 3.39Å; Y439-R455 HydrophobicContact CD1-CB 4.08Å; Y439-R455 HydrophobicContact CD1-CG 4.07Å; Y439-R455 HydrophobicContact CD2-CB 4.17Å; Y439-R455 HydrophobicContact CD2-CG 4.17Å; Y439-R455 HydrophobicContact CE1-CB 4.3Å; Y439-R455 HydrophobicContact CE1-CG 3.76Å; Y439-R455 HydrophobicContact CE2-CB 4.44Å; Y439-R455 HydrophobicContact CE2-CG 3.93Å; Y439-R455 HydrophobicContact CG-CB 4.01Å; Y439-R455 HydrophobicContact CG-CG 4.26Å; R455-L466 WeakPolarHBondContact O-CA 3.36Å; R455-D467 HydrophobicContact CG-CB 3.84Å; R455-D467 IonicContact CZ-OD2 3.31Å; R455-D467 VanDerWaalsContact CZ-OD2 3.26Å; R455-D467 PolarHBondContact N-O 3.36Å; R455-D467 IonicContact NE-OD2 2.79Å; R455-D467 PolarHBondContact NE-OD2 3.09Å; R455-D467 IonicContact NH2-OD2 2.7Å; R455-D467 PolarHBondContact NH2-OD2 3.22Å; R455-D467 PolarHBondContact O-N 3.06Å
456R74.2Confident73Confident132 Ų13281.7 Ų81.750%0.49842%0.421SS..EExtended strand (participates in β ladder)trans-101116-178.3-174.9179166.8-89.72.5111.4V464 L466R456-V464 HydrophobicContact CG-CG1 3.57Å; R456-L466 HydrophobicContact CB-CD2 3.88Å; R456-L466 HydrophobicContact CG-CD2 4.16Å
457R74Confident73.7Confident113 Ų11376.5 Ų76.543%0.42639%0.389SS..EExtended strand (participates in β ladder)trans-115.3159.6172.871.3-175.5-171.8-160.15.7111.6L465 D467R457-L465 HydrophobicContact CG-CB 3.77Å; R457-L465 HydrophobicContact CG-CD1 4.43Å; R457-L465 PolarHBondContact N-O 3.32Å; R457-L465 PolarHBondContact O-N 2.94Å; R457-D467 WeakPolarHBondContact CD-OD2 3.34Å; R457-D467 IonicContact CZ-OD1 2.7Å; R457-D467 IonicContact CZ-OD2 2.74Å; R457-D467 IonicContact NE-OD1 3.68Å; R457-D467 PolarHBondContact NE-OD1 3.49Å; R457-D467 IonicContact NE-OD2 2.7Å; R457-D467 IonicContact NH1-OD1 2.67Å; R457-D467 PolarHBondContact NH1-OD1 2.69Å; R457-D467 IonicContact NH1-OD2 3.03Å; R457-D467 PolarHBondContact NH1-OD2 2.92Å; R457-D467 IonicContact NH2-OD1 2.66Å; R457-D467 PolarHBondContact NH2-OD1 2.98Å
458V74Confident74.5Confident96 Ų9677.6 Ų77.658%0.58238%0.382SS*.EExtended strand (participates in β ladder)trans-105.5116.8175-178.10000108.8
459G72.1Confident74.8Confident21 Ų2173.1 Ų73.122%0.21637%0.366CS..  trans-84174.817900000113.6G461 G462 R463G459-G461 PolarHBondContact O-N 3.13Å; G459-G462 PolarHBondContact O-N 3.39Å; G459-R463 PolarHBondContact N-O 3.22Å
460R64.4Low74.8Confident248 Ų24875.7 Ų75.794%0.93638%0.382SS*.THydrogen-bonded Turntrans-56.3131.6172.3-78.5-176.3170.9-179.2-2.3110.2
461G72.3Confident74.4Confident81 Ų8176.2 Ų76.284%0.83539%0.385SS*.THydrogen-bonded Turntrans85.711.1-173.300000114.9G459 R463G459-G461 PolarHBondContact O-N 3.13Å; G461-R463 PolarHBondContact O-N 3.37Å
462G72.1Confident74.1Confident53 Ų5380.7 Ų80.755%0.54641%0.41SS..SBendtrans77.2-3.1176.200000114.8G459 V464G459-G462 PolarHBondContact O-N 3.39Å; G462-V464 PolarHBondContact O-N 3.38Å
463R67.3Low73.5Confident152 Ų15286.3 Ų86.357%0.57443%0.432SS*.  trans-60.2131.1176.2-71.9-170.3-80.6-161.5-3.5110.5G459 G461G459-R463 PolarHBondContact N-O 3.22Å; G461-R463 PolarHBondContact O-N 3.37Å
464V75.4Confident73.3Confident74 Ų7483.4 Ų83.445%0.44842%0.42SS..EExtended strand (participates in β ladder)trans-74.6130.6173.8178.90000108.7R456 G462R456-V464 HydrophobicContact CG-CG1 3.57Å; G462-V464 PolarHBondContact O-N 3.38Å
465L76.6Confident73Confident71 Ų7187 Ų8737%0.37244%0.444SS..EExtended strand (participates in β ladder)trans-116.8139.7172-57.3175000108.6R457R457-L465 HydrophobicContact CG-CB 3.77Å; R457-L465 HydrophobicContact CG-CD1 4.43Å; R457-L465 PolarHBondContact N-O 3.32Å; R457-L465 PolarHBondContact O-N 2.94Å
466L79.1Confident72.7Confident74 Ų7488.5 Ų88.539%0.38746%0.455SS..EExtended strand (participates in β ladder)trans-110.2112.7172.1-67.9170.9000107.9L444 L451 R455 R456L444-L466 HydrophobicContact CD2-CD1 3.85Å; L451-L466 HydrophobicContact CD1-CD1 3.95Å; R455-L466 WeakPolarHBondContact O-CA 3.36Å; R456-L466 HydrophobicContact CB-CD2 3.88Å; R456-L466 HydrophobicContact CG-CD2 4.16Å
467D77.1Confident72.6Confident23 Ų2382.7 Ų82.712%0.12343%0.433CS..EExtended strand (participates in β ladder)trans-85.2122.8169.6-57.1-15.1000106.9Y439 A454 R455 R457Y439-D467 HydrophobicContact CE1-CB 4.3Å; Y439-D467 VanDerWaalsContact CE1-O 3.26Å; Y439-D467 WeakPolarHBondContact CE1-O 3.48Å; A454-D467 CarbonylContact C-O 3.58Å; A454-D467 WeakPolarHBondContact CA-O 3.31Å; A454-D467 WeakPolarHBondContact CB-O 3.28Å; R455-D467 HydrophobicContact CG-CB 3.84Å; R455-D467 IonicContact CZ-OD2 3.31Å; R455-D467 VanDerWaalsContact CZ-OD2 3.26Å; R455-D467 PolarHBondContact N-O 3.36Å; R455-D467 IonicContact NE-OD2 2.79Å; R455-D467 PolarHBondContact NE-OD2 3.09Å; R455-D467 IonicContact NH2-OD2 2.7Å; R455-D467 PolarHBondContact NH2-OD2 3.22Å; R455-D467 PolarHBondContact O-N 3.06Å; R457-D467 WeakPolarHBondContact CD-OD2 3.34Å; R457-D467 IonicContact CZ-OD1 2.7Å; R457-D467 IonicContact CZ-OD2 2.74Å; R457-D467 IonicContact NE-OD1 3.68Å; R457-D467 PolarHBondContact NE-OD1 3.49Å; R457-D467 IonicContact NE-OD2 2.7Å; R457-D467 IonicContact NH1-OD1 2.67Å; R457-D467 PolarHBondContact NH1-OD1 2.69Å; R457-D467 IonicContact NH1-OD2 3.03Å; R457-D467 PolarHBondContact NH1-OD2 2.92Å; R457-D467 IonicContact NH2-OD1 2.66Å; R457-D467 PolarHBondContact NH2-OD1 2.98Å
468R78.7Confident72.4Confident107 Ų10781 Ų8140%0.40443%0.43SS..EExtended strand (participates in β ladder)trans-91.4138.2173.1176.6174.5173.3170.41.7110L451 D474 H478L451-R468 WeakPolarHBondContact O-CD 3.24Å; L451-R468 PolarHBondContact O-NE 2.99Å; R468-D474 IonicContact CZ-OD2 3.93Å; R468-D474 IonicContact NE-OD2 3.15Å; R468-D474 PolarHBondContact NE-OD2 2.78Å; R468-D474 IonicContact NH2-OD1 2.68Å; R468-D474 IonicContact NH2-OD2 3.73Å; R468-D474 PolarHBondContact NH2-OD2 3.39Å; R468-H478 PolarHBondContact NH1-NE2 2.82Å
469A73.4Confident71.9Confident27 Ų2783.2 Ų83.222%0.22343%0.434CS..PPolyproline II helixtrans-96148.3165.700000109.3Y439 F453Y439-A469 HydrophobicContact CD1-CB 3.59Å; Y439-A469 HydrophobicContact CE1-CB 3.59Å; Y439-A469 HydrophobicContact CG-CB 4.27Å; F453-A469 PolarHBondContact O-N 2.64Å
470H73Confident71.5Confident155 Ų15582.9 Ų82.972%0.71843%0.427SS*.PPolyproline II helixtrans-69.9141.7166.8-177.6-87.9000109.9D472H470-D472 IonicContact CE1-OD1 3.85Å; H470-D472 IonicContact ND1-OD1 3.44Å
471S70.6Confident71.2Confident22 Ų2273 Ų7315%0.15439%0.392CS..  trans-143.4144.3166.5-171.80000109.1Y473 D474S471-Y473 PolarHBondContact O-N 2.77Å; S471-Y473 VanDerWaalsContact O-N 3.1Å; S471-D474 PolarHBondContact N-OD2 3.25Å; S471-D474 WeakPolarHBondContact O-CB 3.15Å; S471-D474 VanDerWaalsContact O-CG 3.23Å; S471-D474 PolarHBondContact O-N 3.42Å
472D69Low70.2Confident116 Ų11675 Ų7562%0.6238%0.384SS*.THydrogen-bonded Turntrans-66.8-17.2-176.9-42.5-64.8000112.2H470H470-D472 IonicContact CE1-OD1 3.85Å; H470-D472 IonicContact ND1-OD1 3.44Å
473Y66.5Low69.3Low118 Ų11876.3 Ų76.346%0.46338%0.378SS..THydrogen-bonded Turntrans-83.2-1.2171.7-55.3-76.4000114.2S471 S475 M476 F477 L513S471-Y473 PolarHBondContact O-N 2.77Å; S471-Y473 VanDerWaalsContact O-N 3.1Å; Y473-S475 PolarHBondContact O-N 3.32Å; Y473-M476 HydrophobicContact CD1-SD 4.08Å; Y473-M476 WeakPolarHBondContact O-CA 3.44Å; Y473-M476 WeakPolarHBondContact O-CB 3.39Å; Y473-M476 PolarHBondContact O-N 3.11Å; Y473-F477 WeakPolarHBondContact O-CD2 3.27Å; Y473-F477 PolarHBondContact O-N 3.26Å; Y473-L513 HydrophobicContact CD1-CD2 3.82Å; Y473-L513 HydrophobicContact CE1-CD2 3.84Å
474D72.4Confident68.7Low13 Ų1372.3 Ų72.37%0.0737%0.367CS..Hα-helixtrans-60.2-30-177.1-85.41.3000113R468 S471 F477 H478R468-D474 IonicContact CZ-OD2 3.93Å; R468-D474 IonicContact NE-OD2 3.15Å; R468-D474 PolarHBondContact NE-OD2 2.78Å; R468-D474 IonicContact NH2-OD1 2.68Å; R468-D474 IonicContact NH2-OD2 3.73Å; R468-D474 PolarHBondContact NH2-OD2 3.39Å; S471-D474 PolarHBondContact N-OD2 3.25Å; S471-D474 WeakPolarHBondContact O-CB 3.15Å; S471-D474 VanDerWaalsContact O-CG 3.23Å; S471-D474 PolarHBondContact O-N 3.42Å; D474-F477 PolarHBondContact O-N 3.26Å; D474-H478 WeakPolarHBondContact O-CB 3.23Å; D474-H478 PolarHBondContact O-CD2 3.03Å; D474-H478 PolarHBondContact O-N 2.8Å
475S73.8Confident67.4Low76 Ų7675.1 Ų75.153%0.53138%0.378SS..Hα-helixtrans-61.3-45.1170.656.20000111.9Y473 H478 H479Y473-S475 PolarHBondContact O-N 3.32Å; S475-H478 PolarHBondContact O-N 2.74Å; S475-H479 PolarHBondContact O-CD2 3.02Å; S475-H479 PolarHBondContact O-N 2.59Å; S475-H479 VanDerWaalsContact O-N 3.12Å
476M71.1Confident65.9Low86 Ų8676.5 Ų76.542%0.42439%0.394SS..Hα-helixtrans-68-39.4176.8-59.3-175.97200111.8Y473 H478 H479 L480 L513 L517Y473-M476 HydrophobicContact CD1-SD 4.08Å; Y473-M476 WeakPolarHBondContact O-CA 3.44Å; Y473-M476 WeakPolarHBondContact O-CB 3.39Å; Y473-M476 PolarHBondContact O-N 3.11Å; M476-H478 VanDerWaalsContact C-N 3.31Å; M476-H478 PolarHBondContact O-N 2.95Å; M476-H479 PolarHBondContact O-N 3.48Å; M476-H479 VanDerWaalsContact O-N 3.17Å; M476-L480 PolarHBondContact O-N 3.32Å; M476-L513 HydrophobicContact CE-CD2 4.11Å; M476-L513 HydrophobicContact SD-CD2 4.09Å; M476-L517 HydrophobicContact CE-CD1 4.21Å
477F72.7Confident64.2Low11 Ų1177.1 Ų77.15%0.04841%0.405CS..Hα-helixtrans-65.3-34.3175.4-63.8-46.9000112.4L441 F453 Y473 D474 L480L441-F477 HydrophobicContact CD1-CD1 3.85Å; L441-F477 HydrophobicContact CD1-CD2 4.19Å; L441-F477 HydrophobicContact CD1-CE1 3.75Å; L441-F477 HydrophobicContact CD1-CE2 4.1Å; L441-F477 HydrophobicContact CD1-CG 4.09Å; L441-F477 HydrophobicContact CD1-CZ 3.89Å; L441-F477 HydrophobicContact CD2-CE1 4.05Å; F453-F477 HydrophobicContact CD2-CE2 4.06Å; F453-F477 AromaticContact CE2-CE2 3.75Å; F453-F477 HydrophobicContact CE2-CE2 3.75Å; F453-F477 AromaticContact CE2-CZ 3.95Å; F453-F477 HydrophobicContact CE2-CZ 3.95Å; Y473-F477 WeakPolarHBondContact O-CD2 3.27Å; Y473-F477 PolarHBondContact O-N 3.26Å; D474-F477 PolarHBondContact O-N 3.26Å; F477-L480 HydrophobicContact CD1-CD1 4.24Å
478H68.2Low62.3Low78 Ų7881.5 Ų81.536%0.36143%0.434SS..Hα-helixtrans-69.3-30.7171.3-78.5-51.4000113.4R468 D474 S475 M476 L480 D481R468-H478 PolarHBondContact NH1-NE2 2.82Å; D474-H478 WeakPolarHBondContact O-CB 3.23Å; D474-H478 PolarHBondContact O-CD2 3.03Å; D474-H478 PolarHBondContact O-N 2.8Å; S475-H478 PolarHBondContact O-N 2.74Å; M476-H478 VanDerWaalsContact C-N 3.31Å; M476-H478 PolarHBondContact O-N 2.95Å; H478-L480 VanDerWaalsContact C-N 3.34Å; H478-L480 PolarHBondContact O-N 3.11Å; H478-D481 WeakPolarHBondContact O-CB 3.35Å; H478-D481 PolarHBondContact O-N 3.19Å
479H64.4Low60.3Low141 Ų14185.4 Ų85.465%0.65346%0.457SS*.Hα-helixtrans-70.8-24.4175.6-91.8-77.1000114.3S475 M476 D481 L482S475-H479 PolarHBondContact O-CD2 3.02Å; S475-H479 PolarHBondContact O-N 2.59Å; S475-H479 VanDerWaalsContact O-N 3.12Å; M476-H479 PolarHBondContact O-N 3.48Å; M476-H479 VanDerWaalsContact O-N 3.17Å; H479-D481 PolarHBondContact O-N 2.96Å; H479-L482 PolarHBondContact O-N 3.29Å
480L63.2Low58.5Low14 Ų1489.8 Ų89.87%0.07348%0.484CS..Hα-helixtrans-63.1-23.6172.6-68172000113.2M476 F477 H478 L482 D483 M484 L517 I520 K521M476-L480 PolarHBondContact O-N 3.32Å; F477-L480 HydrophobicContact CD1-CD1 4.24Å; H478-L480 VanDerWaalsContact C-N 3.34Å; H478-L480 PolarHBondContact O-N 3.11Å; L480-L482 VanDerWaalsContact C-N 3.28Å; L480-L482 PolarHBondContact O-N 3.44Å; L480-D483 PolarHBondContact O-N 2.71Å; L480-M484 WeakPolarHBondContact O-CG 3.24Å; L480-M484 PolarHBondContact O-N 3.27Å; L480-L517 HydrophobicContact CD1-CD2 3.88Å; L480-L517 HydrophobicContact CD2-CD2 4.1Å; L480-L517 HydrophobicContact CG-CD2 4.35Å; L480-I520 HydrophobicContact CD1-CG2 4.29Å; L480-K521 HydrophobicContact CD2-CG 4.29Å
481D58.3Low56.5Low40 Ų4086.9 Ų86.921%0.21448%0.48CS..Hα-helixtrans-63.9-33.8-177.8-147.68.6000111.9R449 H478 H479R449-D481 WeakPolarHBondContact CA-OD1 3.14Å; R449-D481 VanDerWaalsContact CB-CG 3.43Å; R449-D481 WeakPolarHBondContact CB-OD1 3.35Å; R449-D481 VanDerWaalsContact CB-OD2 3.24Å; R449-D481 WeakPolarHBondContact CB-OD2 3.34Å; H478-D481 WeakPolarHBondContact O-CB 3.35Å; H478-D481 PolarHBondContact O-N 3.19Å; H479-D481 PolarHBondContact O-N 2.96Å
482L52.1Low55Low125 Ų12592 Ų9265%0.65451%0.513SS*.Hα-helixtrans-79.1-40.9-179.2-16467.3000112.3H479 L480H479-L482 PolarHBondContact O-N 3.29Å; L480-L482 VanDerWaalsContact C-N 3.28Å; L480-L482 PolarHBondContact O-N 3.44Å
483D53Low53.1Low80 Ų8091.3 Ų91.343%0.42851%0.513SS..Hα-helixtrans-64.9-40.7178.4-84.69.5000112.1L480 L485 S486 K521L480-D483 PolarHBondContact O-N 2.71Å; D483-L485 PolarHBondContact O-N 2.6Å; D483-S486 VanDerWaalsContact O-CB 3.27Å; D483-S486 WeakPolarHBondContact O-CB 3.25Å; D483-S486 PolarHBondContact O-N 3.19Å; D483-S486 PolarHBondContact O-OG 2.82Å; D483-K521 WeakPolarHBondContact OD2-CE 3.4Å; D483-K521 IonicContact OD2-NZ 3.34Å; D483-K521 PolarHBondContact OD2-NZ 3.22Å
484M53.8Low51.8Low67 Ų6793.8 Ų93.833%0.3353%0.534SS..Hα-helixtrans-60-29.8-176.7-70.2-102.173.900113.1L480 S486L480-M484 WeakPolarHBondContact O-CG 3.24Å; L480-M484 PolarHBondContact O-N 3.27Å; M484-S486 PolarHBondContact O-N 2.86Å
485L49.2Very low49.8Very low133 Ų133101 Ų10170%0.69657%0.567SS**THydrogen-bonded Turntrans-73.6-8.6178.5-64.1171.8000113.7D483D483-L485 PolarHBondContact O-N 2.6Å
486S43.8Very low47.9Very low100 Ų100107.8 Ų107.870%0.69959%0.588SS**THydrogen-bonded Turntrans-88.5-6.2-176.4-52.20000114.3D483 M484D483-S486 VanDerWaalsContact O-CB 3.27Å; D483-S486 WeakPolarHBondContact O-CB 3.25Å; D483-S486 PolarHBondContact O-N 3.19Å; D483-S486 PolarHBondContact O-OG 2.82Å; M484-S486 PolarHBondContact O-N 2.86Å
487S43.6Very low45.9Very low87 Ų87107.6 Ų107.661%0.60860%0.6SS**SBendtrans-90.9138-173.5-165.90000112.4
488P37.9Very low43.8Very low115 Ų115114 Ų11475%0.74763%0.634SS**PPolyproline II helixtrans-58.9142176-23.433.8000113.1
489Q36.5Very low41.8Very low189 Ų189116.6 Ų116.688%0.88366%0.656SS**PPolyproline II helixtrans-62.7131.7175.1-82.9-162.9-14.600111.8
490P34.7Very low40.1Very low120 Ų120114.9 Ų114.978%0.77966%0.66SS**PPolyproline II helixtrans-70.7141.9159.131.1-32.6000109.9
491S31.3Very low38.6Very low93 Ų93120.5 Ų120.565%0.6569%0.686SS**PPolyproline II helixtrans-68.1155.3-177.950.70000113.3V493S491-V493 PolarHBondContact O-N 3.42Å
492P39.8Very low37.1Very low130 Ų130124.8 Ų124.884%0.84471%0.714SS**  trans-75.483.7-17430.7-36.4000112.7
493V29.3Very low36.1Very low101 Ų101125.4 Ų125.461%0.61272%0.718SS**  trans-89.4109.1174.5178.50000110.7S491 Q495S491-V493 PolarHBondContact O-N 3.42Å; V493-Q495 HydrophobicContact CG1-CB 4.3Å; V493-Q495 HydrophobicContact CG1-CG 3.92Å; V493-Q495 PolarHBondContact O-N 3.19Å
494N38.5Very low34.9Very low171 Ų171127.8 Ų127.891%0.91474%0.736SS**  trans-7185.8169.9-85.8-39.2000111.1
495Q30.4Very low33.9Very low163 Ų163129.3 Ų129.376%0.76275%0.752SS**  trans-136.2125.1166.8-74-171.9-3.100111.9V493 A497V493-Q495 HydrophobicContact CG1-CB 4.3Å; V493-Q495 HydrophobicContact CG1-CG 3.92Å; V493-Q495 PolarHBondContact O-N 3.19Å; Q495-A497 PolarHBondContact O-N 3.09Å
496F34.7Very low32.9Very low219 Ų219130.1 Ų130.196%0.96176%0.758SS**  trans-73.691.2170-76.3-86.3000110N498F496-N498 PolarHBondContact O-N 2.99Å
497A27.6Very low32.3Very low82 Ų82135.2 Ų135.268%0.67876%0.761SS**  trans-70.293.4175.500000111.7Q495Q495-A497 PolarHBondContact O-N 3.09Å
498N29.5Very low32.1Very low145 Ų145136.4 Ų136.478%0.77577%0.77SS**  trans-69.6177.7152.9-92.7-17.3000110.3F496F496-N498 PolarHBondContact O-N 2.99Å
499T26.9Very low31.8Very low134 Ų134135.7 Ų135.782%0.82277%0.768SS**  trans79.3148.5-17275.60000114.8
500S27.4Very low31.9Very low105 Ų105132.6 Ų132.673%0.73477%0.767SS**  cis-159.5172.6-24.3-97.80000108.3T502S500-T502 PolarHBondContact O-N 3.31Å
501E33.1Very low32.3Very low132 Ų132134.3 Ų134.362%0.61776%0.762SS**  trans-65.4132.1178-59.1-159.1125.600112.4R531E501-R531 IonicContact OE1-CZ 3.37Å; E501-R531 IonicContact OE1-NH1 3.22Å; E501-R531 PolarHBondContact OE1-NH1 2.96Å; E501-R531 VanDerWaalsContact OE1-NH1 3.1Å; E501-R531 IonicContact OE1-NH2 2.71Å; E501-R531 PolarHBondContact OE1-NH2 3.28Å
502T26.6Very low33.1Very low130 Ų130134.8 Ų134.880%0.79876%0.758SS**  trans-126.9115.7162.234.80000108.3S500 T504S500-T502 PolarHBondContact O-N 3.31Å; T502-T504 PolarHBondContact O-N 3.12Å
503N29.6Very low33.8Very low137 Ų137131.1 Ų131.173%0.73373%0.731SS**  trans-71.9124.9178.3-68.8-54.6000110
504T28.6Very low35.1Very low131 Ų131129.3 Ų129.380%0.80472%0.722SS**  trans-124.330.9163.666.30000111.5T502 D506T502-T504 PolarHBondContact O-N 3.12Å; T504-D506 PolarHBondContact O-N 2.89Å
505S32.4Very low36.1Very low98 Ų98125.6 Ų125.669%0.68570%0.699SS**  trans-84.686.3160.254.50000108.7
506D29.3Very low37.4Very low150 Ų150120.4 Ų120.480%0.80268%0.676SS**  trans-151.8159.9155.9-125.3-36000114.3T504T504-D506 PolarHBondContact O-N 2.89Å
507R31.5Very low38.5Very low207 Ų207111.5 Ų111.578%0.78164%0.639SS**  trans-51.8129.7-155-62.5169.377.6-1392.2117.7S509R507-S509 PolarHBondContact O-N 2.89Å
508S38.8Very low40.2Very low113 Ų113111.5 Ų111.579%0.7963%0.63SS**  trans22.285.6138.262.90000118.4
509S32Very low41.5Very low100 Ų100106 Ų10670%0.69960%0.601SS**  trans-151.4150.5148.5530000109.2R507 K511R507-S509 PolarHBondContact O-N 2.89Å; S509-K511 PolarHBondContact O-N 2.55Å; S509-K511 VanDerWaalsContact O-N 3.12Å
510S37.3Very low43Very low124 Ų124101.1 Ų101.187%0.86757%0.569SS**  trans-71.4104.1178.349.70000109.8D512S510-D512 PolarHBondContact O-N 3.21Å
511K42.9Very low44.2Very low155 Ų155101.5 Ų101.567%0.67456%0.558SS**  trans-66.7121168-68.8-172.7177.7-176.20108.5S509S509-K511 PolarHBondContact O-N 2.55Å; S509-K511 VanDerWaalsContact O-N 3.12Å
512D49.4Very low45.2Very low104 Ų10498.1 Ų98.156%0.55655%0.548SS*.  trans-56.1142.5178.5-177.720.3000111S510 S514 Q515 I516S510-D512 PolarHBondContact O-N 3.21Å; D512-S514 VanDerWaalsContact CG-OG 3.23Å; D512-S514 PolarHBondContact O-N 3.19Å; D512-S514 WeakPolarHBondContact OD2-CB 3.49Å; D512-S514 PolarHBondContact OD2-OG 3.13Å; D512-Q515 PolarHBondContact O-N 2.97Å; D512-I516 PolarHBondContact O-N 3.28Å
513L54.3Low46.3Very low53 Ų5396 Ų9628%0.27754%0.538SS..Hα-helixtrans-58.1-34.1-177.9-166.274.3000110.6Y473 M476 Q515 I516 L517Y473-L513 HydrophobicContact CD1-CD2 3.82Å; Y473-L513 HydrophobicContact CE1-CD2 3.84Å; M476-L513 HydrophobicContact CE-CD2 4.11Å; M476-L513 HydrophobicContact SD-CD2 4.09Å; L513-Q515 VanDerWaalsContact C-N 3.34Å; L513-Q515 PolarHBondContact O-N 3.38Å; L513-I516 PolarHBondContact O-N 2.86Å; L513-L517 HydrophobicContact CD2-CD1 4.44Å; L513-L517 HydrophobicContact CG-CD1 4.15Å; L513-L517 VanDerWaalsContact O-CG 3.25Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.35Å
514S57.3Low47.4Very low62 Ų6297.6 Ų97.643%0.43453%0.533SS..Hα-helixtrans-52.5-47.517470.10000112.6D512 I516 L517 V518D512-S514 VanDerWaalsContact CG-OG 3.23Å; D512-S514 PolarHBondContact O-N 3.19Å; D512-S514 WeakPolarHBondContact OD2-CB 3.49Å; D512-S514 PolarHBondContact OD2-OG 3.13Å; S514-I516 PolarHBondContact O-N 2.93Å; S514-L517 PolarHBondContact O-N 2.83Å; S514-V518 WeakPolarHBondContact O-CG2 3.25Å; S514-V518 PolarHBondContact O-N 3.38Å
515Q58.5Low48.3Very low93 Ų9399.9 Ų99.944%0.43553%0.528SS..Hα-helixtrans-70.2-35.3-176.7-173.658.966.700111.9D512 L513 V518 D519D512-Q515 PolarHBondContact O-N 2.97Å; L513-Q515 VanDerWaalsContact C-N 3.34Å; L513-Q515 PolarHBondContact O-N 3.38Å; Q515-V518 PolarHBondContact O-N 3.04Å; Q515-D519 PolarHBondContact O-N 3.09Å
516I58.4Low48.6Very low55 Ų55105.3 Ų105.328%0.28253%0.533SS..Hα-helixtrans-65.9-44.1174.8-61173.8000109.9D512 L513 S514 V518 D519 I520D512-I516 PolarHBondContact O-N 3.28Å; L513-I516 PolarHBondContact O-N 2.86Å; S514-I516 PolarHBondContact O-N 2.93Å; I516-V518 VanDerWaalsContact C-N 3.34Å; I516-V518 PolarHBondContact O-N 3.27Å; I516-D519 PolarHBondContact O-N 2.88Å; I516-I520 HydrophobicContact CG2-CD1 3.99Å; I516-I520 WeakPolarHBondContact O-CD1 3.38Å; I516-I520 VanDerWaalsContact O-CG1 3.29Å; I516-I520 WeakPolarHBondContact O-CG1 3.35Å; I516-I520 PolarHBondContact O-N 3.39Å
517L57.8Low48.9Very low32 Ų32104.9 Ų104.917%0.16853%0.526CS..Hα-helixtrans-63.8-37.5176.3-65.6167.3000111.9M476 L480 L513 S514 I520 K521M476-L517 HydrophobicContact CE-CD1 4.21Å; L480-L517 HydrophobicContact CD1-CD2 3.88Å; L480-L517 HydrophobicContact CD2-CD2 4.1Å; L480-L517 HydrophobicContact CG-CD2 4.35Å; L513-L517 HydrophobicContact CD2-CD1 4.44Å; L513-L517 HydrophobicContact CG-CD1 4.15Å; L513-L517 VanDerWaalsContact O-CG 3.25Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.35Å; S514-L517 PolarHBondContact O-N 2.83Å; L517-I520 PolarHBondContact O-N 2.96Å; L517-K521 WeakPolarHBondContact O-CB 3.43Å; L517-K521 WeakPolarHBondContact O-CG 3.43Å; L517-K521 PolarHBondContact O-N 3.37Å
518V63.1Low48.9Very low82 Ų82102.9 Ų102.950%0.49752%0.523SS..Hα-helixtrans-65.4-43.3174.1168.30000112.2S514 Q515 I516 I520 K521 S522S514-V518 WeakPolarHBondContact O-CG2 3.25Å; S514-V518 PolarHBondContact O-N 3.38Å; Q515-V518 PolarHBondContact O-N 3.04Å; I516-V518 VanDerWaalsContact C-N 3.34Å; I516-V518 PolarHBondContact O-N 3.27Å; V518-I520 VanDerWaalsContact C-N 3.29Å; V518-I520 PolarHBondContact O-N 3.3Å; V518-K521 PolarHBondContact O-N 2.97Å; V518-S522 WeakPolarHBondContact O-CB 3.35Å; V518-S522 PolarHBondContact O-N 3.32Å; V518-S522 PolarHBondContact O-OG 2.84Å
519D57.3Low48.6Very low30 Ų30108.5 Ų108.516%0.1653%0.527CS..Hα-helixtrans-68.4-26.4177.9-80.2-20.9000113.3Q515 I516 S522 R524Q515-D519 PolarHBondContact O-N 3.09Å; I516-D519 PolarHBondContact O-N 2.88Å; D519-S522 WeakPolarHBondContact CA-OG 3.24Å; D519-S522 PolarHBondContact O-OG 3.25Å; D519-R524 PolarHBondContact O-N 2.84Å; D519-R524 IonicContact OD1-CZ 2.67Å; D519-R524 IonicContact OD1-NE 3.1Å; D519-R524 IonicContact OD1-NH1 2.62Å; D519-R524 PolarHBondContact OD1-NH1 3.34Å
520I56.4Low48.6Very low30 Ų30107.7 Ų107.715%0.15452%0.519CS..Hα-helixtrans-74.1-52.5170.2-66.5163.2000110.6L441 L480 I516 L517 V518 S522 C523L441-I520 HydrophobicContact CD2-CD1 3.65Å; L480-I520 HydrophobicContact CD1-CG2 4.29Å; I516-I520 HydrophobicContact CG2-CD1 3.99Å; I516-I520 WeakPolarHBondContact O-CD1 3.38Å; I516-I520 VanDerWaalsContact O-CG1 3.29Å; I516-I520 WeakPolarHBondContact O-CG1 3.35Å; I516-I520 PolarHBondContact O-N 3.39Å; L517-I520 PolarHBondContact O-N 2.96Å; V518-I520 VanDerWaalsContact C-N 3.29Å; V518-I520 PolarHBondContact O-N 3.3Å; I520-S522 PolarHBondContact O-N 2.88Å; I520-C523 PolarHBondContact O-N 2.89Å
521K54.3Low48.2Very low114 Ų114111.5 Ų111.550%0.49651%0.514SS..Hα-helixtrans-61.9-25.6-179.5-72.3-167.7-173.7-162.90113.5L480 D483 L517 V518 C523L480-K521 HydrophobicContact CD2-CG 4.29Å; D483-K521 WeakPolarHBondContact OD2-CE 3.4Å; D483-K521 IonicContact OD2-NZ 3.34Å; D483-K521 PolarHBondContact OD2-NZ 3.22Å; L517-K521 WeakPolarHBondContact O-CB 3.43Å; L517-K521 WeakPolarHBondContact O-CG 3.43Å; L517-K521 PolarHBondContact O-N 3.37Å; V518-K521 PolarHBondContact O-N 2.97Å; K521-C523 VanDerWaalsContact C-N 3.34Å
522S53.3Low47.6Very low61 Ų61110.3 Ų110.343%0.42752%0.52SS..THydrogen-bonded Turntrans-899.1174.856.20000114.4V518 D519 I520 R524V518-S522 WeakPolarHBondContact O-CB 3.35Å; V518-S522 PolarHBondContact O-N 3.32Å; V518-S522 PolarHBondContact O-OG 2.84Å; D519-S522 WeakPolarHBondContact CA-OG 3.24Å; D519-S522 PolarHBondContact O-OG 3.25Å; I520-S522 PolarHBondContact O-N 2.88Å; S522-R524 PolarHBondContact O-N 3.43Å; S522-R524 VanDerWaalsContact O-N 3.1Å; S522-R524 WeakPolarHBondContact OG-CD 3.47Å; S522-R524 WeakPolarHBondContact OG-CG 3.46Å
523C50.3Low46.7Very low84 Ų84111.2 Ų111.257%0.56853%0.532SS*.THydrogen-bonded Turntrans56.124.2177.3-63.80000115I520 K521 W525I520-C523 PolarHBondContact O-N 2.89Å; K521-C523 VanDerWaalsContact C-N 3.34Å; C523-W525 VanDerWaalsContact C-N 3.35Å
524R52.6Low45.4Very low171 Ų171113.9 Ų113.965%0.64556%0.555SS**  trans-75.8-25-176.1-63.3175.779.7-160.710.7112.5D519 S522 R526D519-R524 PolarHBondContact O-N 2.84Å; D519-R524 IonicContact OD1-CZ 2.67Å; D519-R524 IonicContact OD1-NE 3.1Å; D519-R524 IonicContact OD1-NH1 2.62Å; D519-R524 PolarHBondContact OD1-NH1 3.34Å; S522-R524 PolarHBondContact O-N 3.43Å; S522-R524 VanDerWaalsContact O-N 3.1Å; S522-R524 WeakPolarHBondContact OG-CD 3.47Å; S522-R524 WeakPolarHBondContact OG-CG 3.46Å; R524-R526 PolarHBondContact O-N 2.93Å
525W47.3Very low44.3Very low180 Ų180118.7 Ų118.768%0.68258%0.575SS**SBendtrans-83.7102.6176.8-78.455.7000111.2C523C523-W525 VanDerWaalsContact C-N 3.35Å
526R38.1Very low42.9Very low211 Ų211122.8 Ų122.880%0.79659%0.594SS**  trans-93123.8178-71.7-174.4168.6-162.6-4.2112.4R524R524-R526 PolarHBondContact O-N 2.93Å
527H35.7Very low41.5Very low142 Ų142126.8 Ų126.866%0.65762%0.616SS**  trans6.1120.2162.9-57.492.5000119R529H527-R529 PolarHBondContact O-N 2.94Å; H527-R529 VanDerWaalsContact O-N 3.14Å
528F32.7Very low40.2Very low164 Ų164130 Ų13072%0.71964%0.641SS**  trans-62.8108.7173.3-178.7-99000113P530F528-P530 HydrophobicContact CD1-CG 4.4Å; F528-P530 HydrophobicContact CE1-CG 3.86Å
529R32.5Very low38.6Very low232 Ų232132.9 Ų132.988%0.87565%0.654SS**PPolyproline II helixtrans-99.1126.3158.4-96.3-170.8173.2-169-0.1109.5H527H527-R529 PolarHBondContact O-N 2.94Å; H527-R529 VanDerWaalsContact O-N 3.14Å
530P30.1Very low37.2Very low82 Ų82136.6 Ų136.653%0.53268%0.682SS.*PPolyproline II helixtrans-62.1135.4166.2-1729.2000110.4F528 T532F528-P530 HydrophobicContact CD1-CG 4.4Å; F528-P530 HydrophobicContact CE1-CG 3.86Å; P530-T532 PolarHBondContact O-N 3.37Å
531R29.8Very low35.9Very low204 Ų204142 Ų14277%0.7771%0.711SS**PPolyproline II helixtrans-66126.6165.1-70.9-170.2-176.9-145.4-3.9108.9E501E501-R531 IonicContact OE1-CZ 3.37Å; E501-R531 IonicContact OE1-NH1 3.22Å; E501-R531 PolarHBondContact OE1-NH1 2.96Å; E501-R531 VanDerWaalsContact OE1-NH1 3.1Å; E501-R531 IonicContact OE1-NH2 2.71Å; E501-R531 PolarHBondContact OE1-NH2 3.28Å
532T31.2Very low34.7Very low130 Ų130144.7 Ų144.780%0.79873%0.725SS**PPolyproline II helixtrans-67.8135.815141.40000108P530 S534P530-T532 PolarHBondContact O-N 3.37Å; T532-S534 PolarHBondContact O-N 2.92Å
533P29.9Very low33.5Very low124 Ų124148.4 Ų148.481%0.80574%0.74SS**PPolyproline II helixtrans-58.5137.6172.6-22.433.6000110.7
534S27.1Very low32.4Very low109 Ų109149.4 Ų149.476%0.76275%0.748SS**PPolyproline II helixtrans-68.6132.7162.445.70000109T532T532-S534 PolarHBondContact O-N 2.92Å
535L34.7Very low31.2Very low163 Ų163145.5 Ų145.585%0.85375%0.747SS**PPolyproline II helixtrans-62.1138.2158-119.474000108.1
536H27.4Very low30.3Very low179 Ų179147.4 Ų147.483%0.82975%0.754SS**  trans-148.2133.6160.4-147.3-70.6000108.9
537D29.8Very low29.9Very low138 Ų138146.4 Ų146.474%0.73876%0.755SS**  trans-80.7158.6-176.4-71-60.6000113.3
538S30.6Very low29.4Very low100 Ų100145.8 Ų145.870%0.69976%0.756SS**  trans-178.9137.3136.7-950000108.9
539D29.6Very low29.1Very low142 Ų142146.1 Ų146.176%0.75976%0.76SS**  cis-154.7165.6-4.5-79.2-39.3000110
540S28.3Very low28.7Very low108 Ų108145.9 Ų145.976%0.75576%0.759SS**  trans62.9139.5164.3-100.40000118.7
541D29.1Very low28.5Very low144 Ų144147 Ų14777%0.7777%0.768SS**  cis-144.8150.821.9-90.2-37.4000115.1
542E28.3Very low28.3Very low170 Ų170143.7 Ų143.779%0.79477%0.765SS**  trans43152.1146.6-106-164.915700127.6
543L28.7Very low28.2Very low140 Ų140144.1 Ų144.173%0.73376%0.762SS**  trans80.674.2152.4-67.8166.9000123.1
544S27.4Very low28.1Very low104 Ų104149.7 Ų149.773%0.72777%0.767SS**  75.4122.8111.3-159.60000123.3
545S27.4Very low28Very low90 Ų90150.9 Ų150.963%0.62977%0.77SS**  122.4110.5124.6-87.60000122.4
546R28.7Very low27.6Very low220 Ų220146.4 Ų146.483%0.8376%0.763SS**  trans93.1107135.5-63.9171-171.3-156.42.4122.5
547K28.9Very low27.5Very low189 Ų189144.8 Ų144.882%0.82277%0.766SS**  56.8151.6115.5-66.5-173.5179.4-175.80121.8
548L25.9Very low27.2Very low130 Ų130142.6 Ų142.668%0.68177%0.767SS**  cis-178.9140-29.9-112.3-179.6000109.7
549H25.1Very low27Very low170 Ų170146.5 Ų146.579%0.78777%0.774SS**  trans61.5171.1168.8-63.6-62.2000117.2
550R25.5Very low27.4Very low227 Ų227145 Ų14586%0.85777%0.772SS**  cis-154.2165.721.2174.4173.4-77.1-128.41.3112.7
551S24.3Very low27.2Very low105 Ų105143.1 Ų143.173%0.73477%0.77SS**  trans-133.4-176.2174-47.60000110.8
552I27.6Very low27Very low136 Ų136141.5 Ų141.570%0.69777%0.766SS**  cis-166.8161.418-155.1175.9000112
553N27.4Very low26.9Very low139 Ų139141.4 Ų141.474%0.74377%0.765SS**  trans67.4162.2164-61.7-24.1000117.8
554R28Very low26.7Very low241 Ų241140.6 Ų140.691%0.90977%0.766SS**  cis-158-16044.4-133.6178.6-168.9-137.4-0.7115.6
555T25.4Very low26.5Very low134 Ų134140.8 Ų140.882%0.82277%0.766SS**  trans-138.6156.8-15151.50000117.8
556G25.8Very low26.4Very low68 Ų68141.6 Ų141.670%0.70177%0.771SS**  trans107162.5157.900000117
557T25.1Very low26.2Very low145 Ų145137 Ų13789%0.8977%0.768SS**  cis-171.8153.8-1440000112.2
558A24.9Very low26Very low93 Ų93132.8 Ų132.877%0.76976%0.762SS**  trans72.6118.2154.800000124.9
559Q25.3Very low26.1Very low181 Ų181132.4 Ų132.485%0.84677%0.765SS**  33.5163.8118.8-68.7-78.9-75.400123.2
560P37.6Very low26.2Very low111 Ų111133.1 Ų133.172%0.72177%0.769SS**  cis-143.5175.1-22.438.6-19.1000118.2
561G24.3Very low26.2Very low69 Ų69127.5 Ų127.571%0.71177%0.765SS**  trans88.2162.1154.800000118.9
562T26.1Very low26.5Very low110 Ų110131.8 Ų131.868%0.67577%0.77SS**  cis-168.9175.6-15.514.70000110.1
563H26.2Very low26.5Very low168 Ų168130.4 Ų130.478%0.77877%0.772SS**  trans57.7156.3162.423.1-115.9000120.2
564T24.2Very low26.6Very low123 Ų123128.8 Ų128.876%0.75577%0.772SS**  cis-165.6157.8-7.817.90000112.3
565C22.8Very low26.7Very low108 Ų108123.5 Ų123.573%0.7377%0.772SS**  trans52.9123.8146.9-62.40000122.3
566S25.2Very low26.8Very low106 Ų106120.7 Ų120.774%0.74177%0.77SS**  83.3154.191.3-50.10000114.4
567T25.1Very low27.1Very low123 Ų123123.4 Ų123.476%0.75578%0.778SS**  cis-163.116021-26.40000112.2
568S24.8Very low27.4Very low101 Ų101120.2 Ų120.271%0.70677%0.766SS**  trans32.5147.3146.862.60000122.9
569T26.8Very low27.7Very low122 Ų122124.9 Ų124.975%0.74877%0.772SS**  cis-158.9146.948.943.20000112
570Q27.1Very low28.4Very low186 Ų186122.6 Ų122.687%0.86977%0.774SS**  44.3144.696.7-55-164.624.400117.2
571S27.1Very low28.4Very low109 Ų109121.4 Ų121.476%0.76277%0.774SS**  cis-153.8175.519.956.20000116.4
572K29.3Very low29.5Very low195 Ų195126.6 Ų126.685%0.84878%0.777SS**  trans-37.7157.9171.9-60.7168.4-177.9176.80116.9
573S28.3Very low31.8Very low106 Ų106124.7 Ų124.774%0.74177%0.765SS**  cis-156.1-131.7-7.537.80000108.4
574S29.2Very low34.1Very low105 Ų105120.5 Ų120.573%0.73476%0.76SS**  cis-180159.1-5.618.20000106.9
575S30.2Very low36.7Very low130 Ų130121.4 Ų121.491%0.90976%0.756SS**  cis-171.3160.7-18.3-169.30000108.4
576G27.5Very low39.1Very low75 Ų75120.7 Ų120.777%0.77374%0.742SS**  trans178.1133.3177.600000115.8
577S32.2Very low41.4Very low126 Ų126122.2 Ų122.288%0.88173%0.732SS**  trans-89.1154.3-175168.60000113
578A32Very low44.2Very low77 Ų77122.1 Ų122.164%0.63672%0.723SS**  cis-174.9155.5-24.500000108.6
579H31.3Very low46.9Very low191 Ų191123.3 Ų123.388%0.88472%0.717SS**SBendtrans-162.8134.1146.8-108.4-77.9000110.5A581H579-A581 PolarHBondContact O-N 3.32Å
580C39.7Very low49.5Very low134 Ų134122 Ų12291%0.90570%0.703SS**  trans13.993.1172-163.90000118.8
581A37.6Very low52.2Low86 Ų86117.9 Ų117.971%0.71168%0.684SS**  trans-108.2151.3166.200000111.3H579 T583H579-A581 PolarHBondContact O-N 3.32Å; A581-T583 PolarHBondContact O-N 3Å
582F47.9Very low55.1Low177 Ų177118.7 Ų118.778%0.77668%0.675SS**  trans-53.2134.2170.8-100.2-104.7000110.7Q586F582-Q586 HydrophobicContact CD1-CB 3.99Å
583T74.3Confident57.7Low70 Ų70115.8 Ų115.843%0.42967%0.665SS.*  trans-75.3150.8176.262.20000111.2A581 E585 Q586 Y587A581-T583 PolarHBondContact O-N 3Å; T583-E585 PolarHBondContact O-N 3.35Å; T583-Q586 VanDerWaalsContact N-OE1 3.08Å; T583-Q586 WeakPolarHBondContact O-CB 3.4Å; T583-Q586 PolarHBondContact O-N 2.95Å; T583-Q586 VanDerWaalsContact O-N 3.09Å; T583-Q586 VanDerWaalsContact OG1-CG 3.28Å; T583-Q586 WeakPolarHBondContact OG1-CG 3.37Å; T583-Q586 PolarHBondContact OG1-N 2.97Å; T583-Q586 PolarHBondContact OG1-OE1 3.43Å; T583-Y587 PolarHBondContact O-N 2.84Å
584A73.2Confident60.2Low81 Ų81114.6 Ų114.667%0.66965%0.65SS**Hα-helixtrans-57.9-33.8177.100000112.1Y587 Q588A584-Y587 PolarHBondContact O-N 3.01Å; A584-Q588 WeakPolarHBondContact O-CB 3.47Å; A584-Q588 PolarHBondContact O-N 3.4Å
585E78.7Confident63Low141 Ų141112.2 Ų112.266%0.65964%0.636SS**Hα-helixtrans-65.2-43175.3-62.1176.8163.200112.1T583 Y587 Q588 Q589T583-E585 PolarHBondContact O-N 3.35Å; E585-Y587 VanDerWaalsContact C-N 3.35Å; E585-Y587 PolarHBondContact O-N 3.5Å; E585-Q588 PolarHBondContact O-N 3.32Å; E585-Q589 WeakPolarHBondContact O-CB 3.4Å; E585-Q589 VanDerWaalsContact O-CG 3.29Å; E585-Q589 WeakPolarHBondContact O-CG 3.46Å; E585-Q589 PolarHBondContact O-N 2.98Å
586Q74.6Confident65.7Low93 Ų93111.5 Ų111.544%0.43562%0.622SS.*Hα-helixtrans-62.6-41.2173.6-74.9169.6-26.200111.7F582 T583 H590F582-Q586 HydrophobicContact CD1-CB 3.99Å; T583-Q586 VanDerWaalsContact N-OE1 3.08Å; T583-Q586 WeakPolarHBondContact O-CB 3.4Å; T583-Q586 PolarHBondContact O-N 2.95Å; T583-Q586 VanDerWaalsContact O-N 3.09Å; T583-Q586 VanDerWaalsContact OG1-CG 3.28Å; T583-Q586 WeakPolarHBondContact OG1-CG 3.37Å; T583-Q586 PolarHBondContact OG1-N 2.97Å; T583-Q586 PolarHBondContact OG1-OE1 3.43Å; Q586-H590 WeakPolarHBondContact O-CB 3.48Å; Q586-H590 PolarHBondContact O-N 3.14Å
587Y72.8Confident68.5Low139 Ų139112.6 Ų112.655%0.54561%0.608SS.*Hα-helixtrans-64.2-41.1175.5-177-101.1000112T583 A584 E585 H590 Q591T583-Y587 PolarHBondContact O-N 2.84Å; A584-Y587 PolarHBondContact O-N 3.01Å; E585-Y587 VanDerWaalsContact C-N 3.35Å; E585-Y587 PolarHBondContact O-N 3.5Å; Y587-H590 PolarHBondContact O-N 3.41Å; Y587-Q591 HydrophobicContact CD1-CG 4.45Å; Y587-Q591 HydrophobicContact CE1-CG 4.01Å; Y587-Q591 PolarHBondContact O-N 3.22Å; Y587-Q591 PolarHBondContact OH-NE2 3.04Å
588Q83.3Confident70.7Confident120 Ų120112.7 Ų112.756%0.56159%0.594SS**Hα-helixtrans-72.4-36.3179.6-165.3165.71100112.5A584 E585 Q591 Q592A584-Q588 WeakPolarHBondContact O-CB 3.47Å; A584-Q588 PolarHBondContact O-N 3.4Å; E585-Q588 PolarHBondContact O-N 3.32Å; Q588-Q591 PolarHBondContact O-N 2.9Å; Q588-Q592 WeakPolarHBondContact O-CG 3.48Å; Q588-Q592 PolarHBondContact O-N 3.18Å
589Q82.2Confident73.3Confident126 Ų126115.3 Ų115.359%0.58959%0.593SS**Hα-helixtrans-61.8-42.6168.6-75.1175.10.500111.4E585 Q592 Q593E585-Q589 WeakPolarHBondContact O-CB 3.4Å; E585-Q589 VanDerWaalsContact O-CG 3.29Å; E585-Q589 WeakPolarHBondContact O-CG 3.46Å; E585-Q589 PolarHBondContact O-N 2.98Å; Q589-Q592 PolarHBondContact O-N 3.4Å; Q589-Q593 WeakPolarHBondContact O-CB 3.47Å; Q589-Q593 PolarHBondContact O-N 3.12Å
590H81Confident75.8Confident95 Ų95112.2 Ų112.244%0.4458%0.579SS.*Hα-helixtrans-63.9-41175.9-173.863.1000112.2Q586 Y587 Q593 L594Q586-H590 WeakPolarHBondContact O-CB 3.48Å; Q586-H590 PolarHBondContact O-N 3.14Å; Y587-H590 PolarHBondContact O-N 3.41Å; H590-Q593 PolarHBondContact O-N 3.38Å; H590-L594 WeakPolarHBondContact O-CG 3.47Å; H590-L594 PolarHBondContact O-N 3.02Å
591Q84Confident77.4Confident100 Ų100111.3 Ų111.347%0.46756%0.562SS.*Hα-helixtrans-62.4-41.3172-75.5-163.1-14.500112.6Y587 Q588 Q593 L594 A595Y587-Q591 HydrophobicContact CD1-CG 4.45Å; Y587-Q591 HydrophobicContact CE1-CG 4.01Å; Y587-Q591 PolarHBondContact O-N 3.22Å; Y587-Q591 PolarHBondContact OH-NE2 3.04Å; Q588-Q591 PolarHBondContact O-N 2.9Å; Q591-Q593 VanDerWaalsContact C-N 3.34Å; Q591-L594 PolarHBondContact O-N 3.19Å; Q591-A595 WeakPolarHBondContact O-CB 3.42Å; Q591-A595 PolarHBondContact O-N 2.98Å
592Q87.7Confident79.2Confident126 Ų126112.5 Ų112.559%0.58956%0.556SS**Hα-helixtrans-63.9-38.2174.3-75.3-177.8-900112.3Q588 Q589 A595 L596Q588-Q592 WeakPolarHBondContact O-CG 3.48Å; Q588-Q592 PolarHBondContact O-N 3.18Å; Q589-Q592 PolarHBondContact O-N 3.4Å; Q592-A595 PolarHBondContact O-N 3.38Å; Q592-L596 PolarHBondContact O-N 3.41Å
593Q84.1Confident80.7Confident133 Ų133106.7 Ų106.762%0.62154%0.54SS*.Hα-helixtrans-64.9-41.7175.8-168.51791800111.9Q589 H590 Q591 L596 M597Q589-Q593 WeakPolarHBondContact O-CB 3.47Å; Q589-Q593 PolarHBondContact O-N 3.12Å; H590-Q593 PolarHBondContact O-N 3.38Å; Q591-Q593 VanDerWaalsContact C-N 3.34Å; Q593-L596 PolarHBondContact O-N 3.44Å; Q593-M597 WeakPolarHBondContact O-CB 3.4Å; Q593-M597 PolarHBondContact O-N 3.2Å
594L79.9Confident80.7Confident82 Ų82108.6 Ų108.643%0.42954%0.544SS..Hα-helixtrans-64.6-39.9173.5-71.7171000112.2H590 Q591 M597 Q598H590-L594 WeakPolarHBondContact O-CG 3.47Å; H590-L594 PolarHBondContact O-N 3.02Å; Q591-L594 PolarHBondContact O-N 3.19Å; L594-M597 HydrophobicContact CD2-CE 4.15Å; L594-M597 PolarHBondContact O-N 2.69Å; L594-Q598 WeakPolarHBondContact O-CB 3.47Å; L594-Q598 PolarHBondContact O-N 2.95Å
595A88.6Confident80.5Confident55 Ų55108.2 Ų108.246%0.45553%0.533SS..Hα-helixtrans-63.9-43.2175.300000112.1Q591 Q592 Q598 Q599Q591-A595 WeakPolarHBondContact O-CB 3.42Å; Q591-A595 PolarHBondContact O-N 2.98Å; Q592-A595 PolarHBondContact O-N 3.38Å; A595-Q598 PolarHBondContact O-N 2.93Å; A595-Q599 WeakPolarHBondContact O-CB 3.25Å; A595-Q599 PolarHBondContact O-N 2.96Å
596L88.1Confident79.8Confident114 Ų114108.4 Ų108.460%0.59754%0.535SS*.Hα-helixtrans-62.1-42.7173.6-93.5168.1000112.3Q592 Q593 Q599 Q600Q592-L596 PolarHBondContact O-N 3.41Å; Q593-L596 PolarHBondContact O-N 3.44Å; L596-Q599 PolarHBondContact O-N 3.05Å; L596-Q600 WeakPolarHBondContact O-CB 3.47Å; L596-Q600 PolarHBondContact O-N 3.48Å
597M85.4Confident79.2Confident99 Ų99110.9 Ų110.949%0.48855%0.546SS..Hα-helixtrans-62.2-43.5176.2-172.9-1737300111.6Q593 L594 Q600 Q601Q593-M597 WeakPolarHBondContact O-CB 3.4Å; Q593-M597 PolarHBondContact O-N 3.2Å; L594-M597 HydrophobicContact CD2-CE 4.15Å; L594-M597 PolarHBondContact O-N 2.69Å; M597-Q600 PolarHBondContact O-N 3.46Å; M597-Q601 PolarHBondContact O-N 2.99Å
598Q78.9Confident78.4Confident128 Ų128111.3 Ų111.360%0.59855%0.553SS**Hα-helixtrans-63.9-42.8175.4-177.4174.588.800111.7L594 A595 Q600 Q601 L602L594-Q598 WeakPolarHBondContact O-CB 3.47Å; L594-Q598 PolarHBondContact O-N 2.95Å; A595-Q598 PolarHBondContact O-N 2.93Å; Q598-Q600 VanDerWaalsContact C-N 3.31Å; Q598-Q600 PolarHBondContact O-N 3.41Å; Q598-Q601 PolarHBondContact O-N 3.06Å; Q598-L602 HydrophobicContact CG-CD1 4.34Å; Q598-L602 WeakPolarHBondContact O-CG 3.5Å; Q598-L602 PolarHBondContact O-N 3.44Å
599Q87.1Confident77Confident131 Ų131111.4 Ų111.461%0.61255%0.553SS**Hα-helixtrans-62.6-37.7175.6-16817718.800111.8A595 L596 L602 A603A595-Q599 WeakPolarHBondContact O-CB 3.25Å; A595-Q599 PolarHBondContact O-N 2.96Å; L596-Q599 PolarHBondContact O-N 3.05Å; Q599-L602 PolarHBondContact O-N 3.3Å; Q599-A603 WeakPolarHBondContact O-CB 3.38Å; Q599-A603 PolarHBondContact O-N 2.68Å
600Q82.7Confident75.4Confident127 Ų127108.9 Ų108.959%0.59355%0.554SS**Hα-helixtrans-68.6-39.4176.3-169.9174.364.600112.5L596 M597 Q598 A603 Q604L596-Q600 WeakPolarHBondContact O-CB 3.47Å; L596-Q600 PolarHBondContact O-N 3.48Å; M597-Q600 PolarHBondContact O-N 3.46Å; Q598-Q600 VanDerWaalsContact C-N 3.31Å; Q598-Q600 PolarHBondContact O-N 3.41Å; Q600-A603 PolarHBondContact O-N 3.49Å; Q600-Q604 WeakPolarHBondContact O-CG 3.36Å; Q600-Q604 PolarHBondContact O-N 3.32Å
601Q74.5Confident73.7Confident114 Ų114112 Ų11253%0.53357%0.574SS.*Hα-helixtrans-63.7-41.2172.3-74.6-176.6-10.500112.3M597 Q598 Q604 T605M597-Q601 PolarHBondContact O-N 2.99Å; Q598-Q601 PolarHBondContact O-N 3.06Å; Q601-Q604 PolarHBondContact O-N 3.31Å; Q601-T605 WeakPolarHBondContact O-CB 3.29Å; Q601-T605 PolarHBondContact O-N 2.7Å; Q601-T605 PolarHBondContact O-OG1 3.3Å
602L75.3Confident72.1Confident112 Ų112111.2 Ų111.259%0.58658%0.58SS**Hα-helixtrans-64.5-40.4174.8-70.5171.3000111.6Q598 Q599 T605 Q606Q598-L602 HydrophobicContact CG-CD1 4.34Å; Q598-L602 WeakPolarHBondContact O-CG 3.5Å; Q598-L602 PolarHBondContact O-N 3.44Å; Q599-L602 PolarHBondContact O-N 3.3Å; L602-T605 PolarHBondContact O-N 3.12Å; L602-Q606 WeakPolarHBondContact O-CB 3.4Å; L602-Q606 PolarHBondContact O-N 2.92Å
603A78.8Confident69.6Low54 Ų54111.8 Ų111.845%0.44659%0.587SS.*Hα-helixtrans-62.5-45174.900000112.3Q599 Q600 T605 Q606 Q607Q599-A603 WeakPolarHBondContact O-CB 3.38Å; Q599-A603 PolarHBondContact O-N 2.68Å; Q600-A603 PolarHBondContact O-N 3.49Å; A603-T605 PolarHBondContact O-N 2.79Å; A603-Q606 PolarHBondContact O-N 3.31Å; A603-Q607 WeakPolarHBondContact O-CB 3.34Å; A603-Q607 PolarHBondContact O-N 3.36Å
604Q73.7Confident67.2Low111 Ų111110.5 Ų110.552%0.51959%0.592SS.*Hα-helixtrans-62.6-40.9174.8-73.1-179.31.400112.2Q600 Q601 Q607 Q608Q600-Q604 WeakPolarHBondContact O-CG 3.36Å; Q600-Q604 PolarHBondContact O-N 3.32Å; Q601-Q604 PolarHBondContact O-N 3.31Å; Q604-Q607 PolarHBondContact O-N 3.03Å; Q604-Q608 WeakPolarHBondContact O-CG 3.36Å; Q604-Q608 PolarHBondContact O-N 3.32Å
605T69.5Low64.9Low72 Ų72111.3 Ų111.344%0.44261%0.605SS.*Hα-helixtrans-62.9-43.6176.7-540000111.2Q601 L602 A603 Q608 Q609Q601-T605 WeakPolarHBondContact O-CB 3.29Å; Q601-T605 PolarHBondContact O-N 2.7Å; Q601-T605 PolarHBondContact O-OG1 3.3Å; L602-T605 PolarHBondContact O-N 3.12Å; A603-T605 PolarHBondContact O-N 2.79Å; T605-Q608 PolarHBondContact O-N 3.43Å; T605-Q609 PolarHBondContact O-N 3.48Å; T605-Q609 VanDerWaalsContact O-N 3.11Å
606Q63.9Low62.2Low146 Ų146115.1 Ų115.168%0.68262%0.623SS**Hα-helixtrans-68-36177.2-173.2168.286.700112L602 A603 Q609 A610L602-Q606 WeakPolarHBondContact O-CB 3.4Å; L602-Q606 PolarHBondContact O-N 2.92Å; A603-Q606 PolarHBondContact O-N 3.31Å; Q606-Q609 PolarHBondContact O-N 2.9Å; Q606-A610 PolarHBondContact O-N 2.88Å
607Q62.9Low59.5Low144 Ų144114.9 Ų114.967%0.67364%0.637SS**Hα-helixtrans-69-33.9175.7-163.9171.224.300112.3A603 Q604 A610A603-Q607 WeakPolarHBondContact O-CB 3.34Å; A603-Q607 PolarHBondContact O-N 3.36Å; Q604-Q607 PolarHBondContact O-N 3.03Å; Q607-A610 PolarHBondContact O-N 2.88Å
608Q55.8Low56.9Low149 Ų149114.6 Ų114.670%0.69665%0.651SS**Hα-helixtrans-65.7-40169.7-73.8-178.1-1.400112Q604 T605 A610 N611Q604-Q608 WeakPolarHBondContact O-CG 3.36Å; Q604-Q608 PolarHBondContact O-N 3.32Å; T605-Q608 PolarHBondContact O-N 3.43Å; Q608-A610 VanDerWaalsContact C-N 3.33Å; Q608-A610 PolarHBondContact O-N 3.34Å; Q608-N611 PolarHBondContact O-N 3.33Å
609Q52Low55.2Low121 Ų121114 Ų11457%0.56566%0.658SS**Hα-helixtrans-70.5-25.1175.9-70.9-179.8-1300113.9T605 Q606 N611 N613T605-Q609 PolarHBondContact O-N 3.48Å; T605-Q609 VanDerWaalsContact O-N 3.11Å; Q606-Q609 PolarHBondContact O-N 2.9Å; Q609-N611 VanDerWaalsContact C-N 3.34Å; Q609-N613 PolarHBondContact O-ND2 3.42Å; Q609-N613 VanDerWaalsContact O-ND2 3.09Å
610A48.6Very low52.7Low74 Ų74117.2 Ų117.261%0.61267%0.673SS**Hα-helixtrans-68.9-31175.100000112.9Q606 Q607 Q608 S612Q606-A610 PolarHBondContact O-N 2.88Å; Q607-A610 PolarHBondContact O-N 2.88Å; Q608-A610 VanDerWaalsContact C-N 3.33Å; Q608-A610 PolarHBondContact O-N 3.34Å; A610-S612 VanDerWaalsContact C-N 3.28Å; A610-S612 PolarHBondContact O-N 2.9Å
611N46.9Very low50.1Low159 Ų159114.2 Ų114.285%0.8568%0.676SS**THydrogen-bonded Turntrans-80.6-0.8-180-103.823.5000114.4Q608 Q609Q608-N611 PolarHBondContact O-N 3.33Å; Q609-N611 VanDerWaalsContact C-N 3.34Å
612S50.1Low48Very low84 Ų84119 Ų11959%0.58770%0.695SS**SBendtrans-137.865.2-175.666.40000112.4A610A610-S612 VanDerWaalsContact C-N 3.28Å; A610-S612 PolarHBondContact O-N 2.9Å
613N35.2Very low45.9Very low139 Ų139120.3 Ų120.374%0.74371%0.708SS**  trans-140.5103.5174.7-99-65.9000113.3Q609Q609-N613 PolarHBondContact O-ND2 3.42Å; Q609-N613 VanDerWaalsContact O-ND2 3.09Å
614S32.6Very low43.9Very low105 Ų105123.4 Ų123.473%0.73473%0.726SS**  trans-122.6136.3153.857.90000108.5
615S32.1Very low42.3Very low100 Ų100128.1 Ų128.170%0.69975%0.745SS**SBendtrans65.7109176.646.40000119.7
616T32.4Very low41Very low135 Ų135131 Ų13183%0.82876%0.762SS**  trans70.993.913456.50000122.3
617A30.5Very low39.9Very low108 Ų108131 Ų13189%0.89377%0.767SS**  53.3134.5121.700000122.5
618A30.6Very low39.5Very low93 Ų93128.3 Ų128.377%0.76976%0.757SS**  trans-111.3-173.4173.200000111.5
619P44.8Very low39.1Very low115 Ų115125.6 Ų125.675%0.74775%0.754SS**  -154.9150.974.241.1-20.8000119.3
620Q32.8Very low38.8Very low199 Ų199122.4 Ų122.493%0.9375%0.749SS**  trans64.1156.2159-49.6-137.51.500118.7
621G28.9Very low38.8Very low64 Ų64121.5 Ų121.566%0.6674%0.738SS**  cis-158.7-174.13.200000113.8
622F29.9Very low39Very low214 Ų214116.6 Ų116.694%0.93972%0.72SS**  trans-78139.8-167.2-81.3-107.1000115.9
623V31.1Very low38.8Very low140 Ų140119.4 Ų119.485%0.84872%0.723SS**  trans-140.7146.5154.8-177.60000109.4
624S37.8Very low39.5Very low119 Ų119120.6 Ų120.683%0.83272%0.722SS**  trans-60140.5-175.2-51.30000114.5
625K38.9Very low40.1Very low210 Ų210118.5 Ų118.591%0.91371%0.711SS**  trans-89.3115.4169-70-173.3178-177.10111.1
626T42.7Very low40.6Very low132 Ų132117 Ų11781%0.8171%0.705SS**PPolyproline II helixtrans-66156.8152.848.80000109.8
627L42Very low41.3Very low147 Ų147114.1 Ų114.177%0.7769%0.69SS**PPolyproline II helixtrans-54140.4169.2-80.1163000110.5
628D53.7Low42Very low88 Ų88112.7 Ų112.747%0.47168%0.678SS.*PPolyproline II helixtrans-83.6161.6174.972.5-20.8000111.4A630 S631 A632D628-A630 PolarHBondContact O-N 3.39Å; D628-S631 PolarHBondContact O-N 3.26Å; D628-S631 WeakPolarHBondContact OD1-CB 3.39Å; D628-S631 PolarHBondContact OD1-N 2.99Å; D628-S631 PolarHBondContact OD1-OG 3.11Å; D628-A632 PolarHBondContact O-N 3.48Å; D628-A632 VanDerWaalsContact O-N 3.1Å
629S47.4Very low42.4Very low91 Ų91115.3 Ų115.364%0.63668%0.679SS**Hα-helixtrans-66.9-21.7-178.352.70000112.9Q633S629-Q633 WeakPolarHBondContact O-CB 3.37Å; S629-Q633 VanDerWaalsContact O-CG 3.25Å; S629-Q633 WeakPolarHBondContact O-CG 3.37Å; S629-Q633 PolarHBondContact O-N 3.38Å
630A46.7Very low42.1Very low55 Ų55116.7 Ų116.746%0.45568%0.677SS.*Hα-helixtrans-69.4-49173.600000111.7D628 A632 Q633 F634D628-A630 PolarHBondContact O-N 3.39Å; A630-A632 VanDerWaalsContact C-N 3.29Å; A630-A632 PolarHBondContact O-N 3.4Å; A630-Q633 PolarHBondContact O-N 2.95Å; A630-F634 PolarHBondContact O-N 3.43Å
631S48.1Very low42.5Very low55 Ų55112.3 Ų112.339%0.38566%0.664SS.*Hα-helixtrans-62.8-37.4175.2-56.10000112D628 F634 A635D628-S631 PolarHBondContact O-N 3.26Å; D628-S631 WeakPolarHBondContact OD1-CB 3.39Å; D628-S631 PolarHBondContact OD1-N 2.99Å; D628-S631 PolarHBondContact OD1-OG 3.11Å; S631-F634 PolarHBondContact O-N 2.94Å; S631-A635 WeakPolarHBondContact O-CB 3.34Å; S631-A635 PolarHBondContact O-N 2.96Å
632A51.4Low43.1Very low56 Ų56114.2 Ų114.246%0.46367%0.667SS.*Hα-helixtrans-65.3-36.817500000112.8D628 A630 A636D628-A632 PolarHBondContact O-N 3.48Å; D628-A632 VanDerWaalsContact O-N 3.1Å; A630-A632 VanDerWaalsContact C-N 3.29Å; A630-A632 PolarHBondContact O-N 3.4Å; A632-A636 WeakPolarHBondContact O-CB 3.41Å; A632-A636 PolarHBondContact O-N 3.32Å; A632-A636 VanDerWaalsContact O-N 3.12Å
633Q45.7Very low43.6Very low143 Ų143112 Ų11267%0.66866%0.66SS**Hα-helixtrans-71.3-39.9174.2-77.1175.24.500112.1S629 A630 A635 A636 S637S629-Q633 WeakPolarHBondContact O-CB 3.37Å; S629-Q633 VanDerWaalsContact O-CG 3.25Å; S629-Q633 WeakPolarHBondContact O-CG 3.37Å; S629-Q633 PolarHBondContact O-N 3.38Å; A630-Q633 PolarHBondContact O-N 2.95Å; Q633-A635 PolarHBondContact O-N 3.1Å; Q633-A636 PolarHBondContact O-N 3.1Å; Q633-A636 VanDerWaalsContact O-N 3.14Å; Q633-S637 PolarHBondContact O-N 3.38Å; Q633-S637 PolarHBondContact O-OG 2.7Å; Q633-S637 VanDerWaalsContact O-OG 3.11Å
634F50.2Low44Very low163 Ų163111.4 Ų111.472%0.71565%0.648SS**Hα-helixtrans-59.1-46.9174.8-175.5-105.3000111.8A630 S631 A636 S637 A638A630-F634 PolarHBondContact O-N 3.43Å; S631-F634 PolarHBondContact O-N 2.94Å; F634-A636 VanDerWaalsContact C-N 3.3Å; F634-A636 PolarHBondContact O-N 2.95Å; F634-S637 WeakPolarHBondContact CA-OG 3.44Å; F634-S637 PolarHBondContact O-N 2.75Å; F634-S637 PolarHBondContact O-OG 2.59Å; F634-A638 PolarHBondContact O-N 3.26Å
635A43.3Very low44.2Very low62 Ų62113 Ų11351%0.51265%0.646SS.*Hα-helixtrans-63.7-32174.600000113.2S631 Q633S631-A635 WeakPolarHBondContact O-CB 3.34Å; S631-A635 PolarHBondContact O-N 2.96Å; Q633-A635 PolarHBondContact O-N 3.1Å
636A43.2Very low44.1Very low67 Ų67111.3 Ų111.355%0.55464%0.644SS**Hα-helixtrans-75.3-28.9175.900000113.4A632 Q633 F634A632-A636 WeakPolarHBondContact O-CB 3.41Å; A632-A636 PolarHBondContact O-N 3.32Å; A632-A636 VanDerWaalsContact O-N 3.12Å; Q633-A636 PolarHBondContact O-N 3.1Å; Q633-A636 VanDerWaalsContact O-N 3.14Å; F634-A636 VanDerWaalsContact C-N 3.3Å; F634-A636 PolarHBondContact O-N 2.95Å
637S46.5Very low43.9Very low75 Ų75108 Ų10852%0.52464%0.635SS.*Hα-helixtrans-73.5-26.7174.339.50000113.7Q633 F634 L639Q633-S637 PolarHBondContact O-N 3.38Å; Q633-S637 PolarHBondContact O-OG 2.7Å; Q633-S637 VanDerWaalsContact O-OG 3.11Å; F634-S637 WeakPolarHBondContact CA-OG 3.44Å; F634-S637 PolarHBondContact O-N 2.75Å; F634-S637 PolarHBondContact O-OG 2.59Å; S637-L639 PolarHBondContact O-N 3.14Å
638A45.5Very low43.3Very low78 Ų78108.9 Ų108.965%0.64563%0.633SS**THydrogen-bonded Turntrans-75.117.3-179.400000115F634F634-A638 PolarHBondContact O-N 3.26Å
639L39.1Very low42.2Very low149 Ų149113 Ų11378%0.7865%0.647SS**THydrogen-bonded Turntrans-128.917.8-179.7-74.2174.3000113.6S637S637-L639 PolarHBondContact O-N 3.14Å
640M37.9Very low41.2Very low144 Ų144117.5 Ų117.571%0.70966%0.66SS**  trans-92.1111.7171.7-76.9-71.9164.600110.7
641T42.5Very low40.3Very low106 Ų106122.7 Ų122.765%0.6567%0.673SS**  trans-84.3151171.451.20000111.5E643T641-E643 PolarHBondContact O-N 3.41Å; T641-E643 VanDerWaalsContact O-N 3.08Å
642S42.1Very low39.4Very low105 Ų105125.1 Ų125.173%0.73468%0.681SS**G310 helixtrans-61.3-18.7-17248.50000115.5Q644 L645S642-Q644 VanDerWaalsContact C-N 3.35Å; S642-Q644 PolarHBondContact O-N 3.41Å; S642-L645 WeakPolarHBondContact O-CB 3.12Å; S642-L645 PolarHBondContact O-N 2.98Å; S642-L645 VanDerWaalsContact O-N 3.15Å
643E39.6Very low38.2Very low168 Ų168129.3 Ų129.379%0.78570%0.696SS**G310 helixtrans-61.6-35.8-177.2-168.7170.8-162.800113.5T641 L645 M646T641-E643 PolarHBondContact O-N 3.41Å; T641-E643 VanDerWaalsContact O-N 3.08Å; E643-L645 PolarHBondContact O-N 3.45Å; E643-M646 PolarHBondContact O-N 3.09Å
644Q40.4Very low37.4Very low127 Ų127128.2 Ų128.259%0.59370%0.698SS**G310 helixtrans-72.5-5.4179-73.9-163.9-17.300114.2E216 S642E216-Q644 PolarHBondContact OE1-NE2 2.89Å; S642-Q644 VanDerWaalsContact C-N 3.35Å; S642-Q644 PolarHBondContact O-N 3.41Å
645L40.5Very low36.2Very low153 Ų153126.7 Ų126.780%0.80170%0.702SS**G310 helixtrans-85.3-25.4178.3-160.165.6000113.3S642 E643 G647S642-L645 WeakPolarHBondContact O-CB 3.12Å; S642-L645 PolarHBondContact O-N 2.98Å; S642-L645 VanDerWaalsContact O-N 3.15Å; E643-L645 PolarHBondContact O-N 3.45Å; L645-G647 VanDerWaalsContact C-N 3.27Å; L645-G647 PolarHBondContact O-N 3.47Å
646M37.9Very low35.6Very low174 Ų174130.2 Ų130.286%0.85771%0.712SS**  trans-87.718.7-173.8-68.7-67.3-83.700114.4E643 F648E643-M646 PolarHBondContact O-N 3.09Å; M646-F648 PolarHBondContact O-N 2.67Å
647G37.4Very low34.8Very low61 Ų61130.1 Ų130.163%0.62972%0.717SS**  trans-82.10.2-171.300000117.6L645L645-G647 VanDerWaalsContact C-N 3.27Å; L645-G647 PolarHBondContact O-N 3.47Å
648F30Very low33.9Very low167 Ų167134.3 Ų134.373%0.73273%0.732SS**SBendtrans-136.9106176.7-86.3-81.7000112.1M646 M650M646-F648 PolarHBondContact O-N 2.67Å; F648-M650 PolarHBondContact O-N 3.04Å
649K29.8Very low33Very low173 Ų173133.8 Ų133.875%0.75273%0.734SS**  trans-53.5129.9169.7-97.8-154.3172.4-1540111.4D652K649-D652 IonicContact NZ-OD1 3.87Å
650M26.9Very low32.4Very low187 Ų187133 Ų13392%0.92174%0.735SS**  -77.8146.8126.1-70.5-171.5171.900108.1F648F648-M650 PolarHBondContact O-N 3.04Å
651K29.1Very low31.8Very low164 Ų164133.6 Ų133.671%0.71374%0.741SS**  trans-105.7126.7175.7178.4-170.2170.1-164.70107
652D29Very low31Very low105 Ų105132.2 Ų132.256%0.56175%0.748SS**  trans39.2134.1153.9-39.5-12.8000118.5K649K649-D652 IonicContact NZ-OD1 3.87Å
653D25.5Very low30.2Very low145 Ų145133.2 Ų133.278%0.77575%0.749SS**  -134.5129.4119.3-151.3-16.9000109.9
654V28.1Very low29.6Very low119 Ų119132.8 Ų132.872%0.72175%0.752SS**  trans-141.5103.6176.4170.20000105.8
655V25.6Very low29.4Very low131 Ų131132.6 Ų132.679%0.79476%0.761SS**  trans-77139.9177.6178.30000110.2
656L31Very low28.8Very low137 Ų137129.8 Ų129.872%0.71776%0.76SS**  trans-92.4171.8-167.3-77.4154.7000114.3
657G26Very low28.3Very low64 Ų64127.8 Ų127.866%0.6676%0.763SS**  trans125.4115.2170.700000112.3
658I27.4Very low27.7Very low164 Ų164127.7 Ų127.784%0.84176%0.763SS**  cis59.6105.818.4-43177.1000111.8
659G26.3Very low27.6Very low66 Ų66125.7 Ų125.768%0.6876%0.764SS**  cis173.5-142.6-1.300000111.9
660V26.7Very low27.4Very low132 Ų132128.7 Ų128.780%0.877%0.772SS**  trans87112.9164.4-172.60000119.1
661N26.8Very low27.5Very low157 Ų157128.4 Ų128.484%0.8477%0.765SS**  trans38.6117.4148-58.6-24.4000122.5
662G25.5Very low27.3Very low77 Ų77124.3 Ų124.379%0.79477%0.77SS**  trans-152137.4152.600000110.6
663V25.4Very low27.2Very low127 Ų127126.3 Ų126.377%0.7778%0.78SS**  trans-138.6125.5-170.6172.10000111.8
664L25.5Very low27.3Very low159 Ų159126.4 Ų126.483%0.83278%0.775SS**  trans63.3167.7170-70.6169000116
665P37.3Very low27.2Very low122 Ų122127.7 Ų127.779%0.79278%0.777SS**  cis-119.8-170.3-4.735.2-16.8000114
666A27.4Very low27.1Very low94 Ų94126.3 Ų126.378%0.77777%0.774SS**  trans-96.1-171.5173.800000112.7
667S28.2Very low26.8Very low132 Ų132124.5 Ų124.592%0.92377%0.772SS**  trans83.9140.7-178-153.90000114.5
668G24.5Very low26.8Very low60 Ų60126.9 Ų126.962%0.61977%0.774SS**  cis172.4162.6-700000114.2
669V27.1Very low26.7Very low124 Ų124124.4 Ų124.475%0.75277%0.767SS**  trans16.9118.2160.7-1730000118.3
670Y26.3Very low27Very low236 Ų236127.2 Ų127.293%0.92577%0.773SS**  trans-130.1132.9136.3-101.3-85000110.6
671K28.5Very low27Very low181 Ų181126 Ų12679%0.78777%0.766SS**  trans-97.3138.4169.8-72.1-176.3176.3-177.90109.2
672G25.9Very low27Very low79 Ų79122.9 Ų122.981%0.81476%0.763SS**  trans-119.2120.9161.300000109.6
673L25.7Very low26.9Very low146 Ų146125.8 Ų125.876%0.76476%0.759SS**  trans-90.2176166.4-67.9128.8000108
674H27.7Very low26.9Very low147 Ų147125.6 Ų125.668%0.68176%0.758SS**  cis-169.8165.329.6-148.2-64.8000112
675L26.3Very low26.9Very low146 Ų146125.6 Ų125.676%0.76475%0.754SS**  trans68.7132.5164.5-77.8130.5000116.2
676S24.3Very low26.3Very low102 Ų102126.1 Ų126.171%0.71375%0.754SS**  cis-140.8-1668-53.60000109.9
677S24.2Very low26.1Very low99 Ų99126.9 Ų126.969%0.69275%0.754SS**  cis-158.8173.36.6-156.80000113.7
678T25.2Very low26.8Very low114 Ų114126.2 Ų126.270%0.69975%0.747SS**  trans14101.9153.746.90000122
679T25.3Very low26.9Very low112 Ų112128.2 Ų128.269%0.68775%0.751SS**  18153.4107.555.90000120.3
680P34.3Very low26.9Very low125 Ų125129.1 Ų129.181%0.81276%0.757SS**  cis-121.7167.425.639.5-26.9000115.9
681T26.6Very low27Very low106 Ų106122.7 Ų122.765%0.6575%0.753SS**  cis112.298.47.9-580000115.8L683T681-L683 HydrophobicContact CG2-CD1 4.29Å
682A25.1Very low26.9Very low93 Ų93117.2 Ų117.277%0.76975%0.748SS**  trans-159.1131.314300000106.4
683L23.9Very low26.9Very low138 Ų138119 Ų11972%0.72375%0.748SS**  cis67.6126.744.5-59.2172.7000111.2T681T681-L683 HydrophobicContact CG2-CD1 4.29Å
684V25.5Very low26.9Very low122 Ų122117.3 Ų117.374%0.73974%0.744SS**  cis-144.8156.830.5161.90000113.2
685H25.3Very low26.8Very low160 Ų160117.4 Ų117.474%0.74175%0.748SS**  trans-12.8164.4152.9-51.3-119.7000119.2
686T25.2Very low26.9Very low132 Ų132117.9 Ų117.981%0.8175%0.751SS**  cis-158.1163.442.752.50000116.1
687S23.3Very low27Very low110 Ų110121.2 Ų121.277%0.76976%0.755SS**  trans-83.2-164.4163.4-38.50000111.5
688P42.7Very low27.7Very low118 Ų118121 Ų12177%0.76675%0.752SS**  cis-144.8-152.55.145.7-24000116.5
689S27.3Very low27.7Very low103 Ų103120.6 Ų120.672%0.7275%0.754SS**  trans94.5118.3167.170.10000117.8
690T26.4Very low27.7Very low142 Ų142121.9 Ų121.987%0.87176%0.756SS**  63.3135.469430000115.4
691A28.6Very low27.3Very low101 Ų101122.1 Ų122.184%0.83575%0.749SS**  cis-156.5176.3-1.100000108.6
692G26Very low27.3Very low66 Ų66122 Ų12268%0.6875%0.748SS**  cis163.3167.7-300000110.9
693S25.8Very low27.4Very low118 Ų118126.2 Ų126.283%0.82575%0.752SS**  trans67.9151.7172-73.50000118
694T26.4Very low27.4Very low110 Ų110124.5 Ų124.568%0.67575%0.747SS**  cis-160.4146.9-2.210.80000110.7
695L26Very low27.4Very low148 Ų148123.1 Ų123.178%0.77574%0.743SS**  trans55147.6152.2-81.770.3000119
696L26.8Very low27.4Very low156 Ų156118.9 Ų118.982%0.81774%0.743SS**  cis-146.1164.2-0.3-115.3176000110.8
697Q26.8Very low27.5Very low173 Ų173116.2 Ų116.281%0.80873%0.73SS**  trans-96.9-176.6174.9-117.7-174.97.700110.8
698P38.5Very low27.7Very low94 Ų94119.7 Ų119.761%0.6173%0.734SS**  cis-138.9-168.5-15.736.7-16.4000114.6
699S25.9Very low27.1Very low106 Ų106119.8 Ų119.874%0.74174%0.737SS**  trans75.5145.6143.9-75.30000120.9
700N25Very low27.1Very low139 Ų139117.7 Ų117.774%0.74373%0.726SS**  cis-169.6173.7-18.3-152-11.6000111.2
701I26.7Very low27.2Very low130 Ų130118.8 Ų118.867%0.66773%0.726SS**  trans76.9102.3155.6-61.6161.6000120.3
702T26.2Very low27.3Very low103 Ų103115.4 Ų115.463%0.63270%0.696SS**  35.9117.6120.6-37.30000123.1T704T702-T704 HydrophobicContact CG2-CG2 3.85Å
703Q27.5Very low27.4Very low182 Ų182116.9 Ų116.985%0.8569%0.685SS**  trans-168.8134.8135.5-100.4145.498.600107.8
704T24.4Very low27.6Very low101 Ų101117.8 Ų117.862%0.6268%0.676SS**  cis90.790.416.377.10000118.3T702T702-T704 HydrophobicContact CG2-CG2 3.85Å
705S25.6Very low27.6Very low93 Ų93117.6 Ų117.665%0.6568%0.675SS**  trans71.1157.6164.2-240000115.5K98K98-S705 PolarHBondContact NZ-OG 2.6Å
706G25.2Very low27.6Very low72 Ų72117.6 Ų117.674%0.74268%0.681SS**  cis170.6153.9-5.400000111.1
707S25.9Very low27.5Very low76 Ų76114.5 Ų114.553%0.53168%0.678SS.*  trans-60.2147.7178.6-59.60000112.1
708H28.4Very low27.4Very low183 Ų183111.1 Ų111.185%0.84768%0.679SS**  37.1138.685.8-39.7-77.7000113.8
709S30.6Very low26.8Very low120 Ų120114.2 Ų114.284%0.83969%0.691SS**  cis-142.6-179.116.9540000112.3
710A26.2Very low26.9Very low59 Ų59114.7 Ų114.749%0.48869%0.694SS.*  trans-115.7160.416600000109E255E255-A710 HydrophobicContact CG-CB 4.23Å
711L29.6Very low27Very low165 Ų165112.9 Ų112.986%0.86470%0.699SS**  trans-164.5176.7144.9-108.2165.1000111.4
712S29.4Very low27.1Very low30 Ų30113.2 Ų113.221%0.2171%0.707CS.*  trans-159.1129.6-159.759.30000114.4
713H29.3Very low27.2Very low97 Ų97114.5 Ų114.545%0.44972%0.715SS.*  trans61.4154.6146.9-74.3-20.7000119.6V245 L248V245-H713 WeakPolarHBondContact CA-NE2 3.36Å; L248-H713 VanDerWaalsContact CB-NE2 3.29Å; L248-H713 WeakPolarHBondContact CB-NE2 3.45Å; L248-H713 WeakPolarHBondContact CD1-CE1 3.21Å; L248-H713 VanDerWaalsContact CD1-NE2 3.35Å; L248-H713 WeakPolarHBondContact CD1-NE2 3.46Å
714Q29.8Very low27.2Very low137 Ų137114.4 Ų114.464%0.6471%0.714SS**  cis-150.2170.76.1-137.5172.2-71.700111.5V245V245-Q714 HydrophobicContact CG2-CG 4.13Å
715V26.3Very low27.4Very low106 Ų106114.3 Ų114.364%0.64271%0.713SS**  trans-107.9147.3-170.3174.90000113.2
716T25.7Very low27.4Very low147 Ų147118.1 Ų118.190%0.90273%0.725SS**  trans-135156.1147.7-58.60000109.1
717A24.6Very low27.5Very low91 Ų91123 Ų12375%0.75273%0.726SS**  trans-101.5148-150.200000117.4
718A25.2Very low27.6Very low102 Ų102122.8 Ų122.884%0.84374%0.736SS**  trans-142.6156.2154.100000109.8
719N26Very low27.6Very low160 Ų160120.3 Ų120.386%0.85673%0.729SS**  trans-102.7135.6-173.2-57.9-68.4000112.8
720S26.7Very low27.4Very low116 Ų116122.3 Ų122.381%0.81173%0.731SS**  trans-159.8164.9151.7-85.70000111.7
721A27.7Very low27.6Very low101 Ų101126 Ų12684%0.83574%0.741SS**  trans-91.4155-166.700000113.8
722T28.2Very low27.4Very low137 Ų137126.4 Ų126.484%0.8473%0.731SS**  trans-85.612917749.40000112.2
723T29.5Very low27.3Very low130 Ų130132.7 Ų132.780%0.79876%0.761SS**  trans-104.6131.4162.1-54.40000108.9
724Q27.1Very low27.2Very low180 Ų180133.6 Ų133.684%0.84177%0.774SS**  trans-81.4132.8175.1-70.7-90.14.300110
725V27.6Very low27.1Very low99 Ų99133.7 Ų133.760%0.678%0.783SS**  trans-131.2123.4169.7-179.10000108.6F727V725-F727 HydrophobicContact CB-CE2 4.27Å; V725-F727 HydrophobicContact CG1-CD2 4.42Å; V725-F727 HydrophobicContact CG1-CE2 3.96Å; V725-F727 HydrophobicContact CG1-CZ 4.19Å
726L26.8Very low27.4Very low172 Ų172134.5 Ų134.590%0.90179%0.791SS**  trans-84.9115179.5-80.1154.7000110.4
727F26.8Very low27.4Very low174 Ų174133.1 Ų133.176%0.76379%0.787SS**  trans-95.2103.4171.8-73.5-83.5000110.9V725 N729V725-F727 HydrophobicContact CB-CE2 4.27Å; V725-F727 HydrophobicContact CG1-CD2 4.42Å; V725-F727 HydrophobicContact CG1-CE2 3.96Å; V725-F727 HydrophobicContact CG1-CZ 4.19Å; F727-N729 PolarHBondContact O-N 2.97Å
728G27.1Very low27.7Very low72 Ų72133.8 Ų133.874%0.74279%0.787SS**  trans-87.986.2174.800000112.5N730G728-N730 PolarHBondContact O-N 3.46Å
729N28.4Very low27.9Very low131 Ų131135.8 Ų135.870%0.70179%0.788SS**  trans-76.5104.1179-82.614000112.6F727F727-N729 PolarHBondContact O-N 2.97Å
730N27.1Very low28.1Very low162 Ų162133.2 Ų133.287%0.86678%0.78SS**  trans-111.980.4166.8-81.3-44.3000110.6G728G728-N730 PolarHBondContact O-N 3.46Å
731I30.9Very low28.2Very low137 Ų137133.5 Ų133.570%0.70378%0.777SS**  trans-96.2109.6175.5-59.6178.2000109.2L733I731-L733 PolarHBondContact O-N 3.1Å
732R25.8Very low28.2Very low173 Ų173135.8 Ų135.865%0.65378%0.78SS**  trans-71.9118.4167.3-90-174.4168.5-127.2-0.1109.2C22C22-R732 PolarHBondContact SG-NH2 2.87Å
733L26.4Very low28.3Very low162 Ų162136.2 Ų136.285%0.84878%0.777SS**  trans-87.6116.7164.8-70.6170.3000109.4I731I731-L733 PolarHBondContact O-N 3.1Å
734T26.3Very low28.1Very low117 Ų117135.6 Ų135.672%0.71878%0.778SS**  trans-124.2115.3171.343.50000110.1
735V29.3Very low28.2Very low138 Ų138134.8 Ų134.884%0.83678%0.778SS**  trans-99.8123.6179.6174.40000109.8
736P31.6Very low28.3Very low123 Ų123134.2 Ų134.280%0.79978%0.783SS**  trans-82.4153.8160.7-11.930.1000111.5
737S26.9Very low28.4Very low118 Ų118131.6 Ų131.683%0.82578%0.777SS**  trans-104166.7-173.7-155.90000114.3
738S29.6Very low28.6Very low106 Ų106131.6 Ų131.674%0.74178%0.783SS**  trans-68.1145.5-169.7540000117.2
739V29.1Very low28.6Very low144 Ų144135.7 Ų135.787%0.87379%0.788SS**  trans-153.5163.6146.6-100.30000109.7
740P31.8Very low28.6Very low106 Ų106134.4 Ų134.469%0.68880%0.796SS**  trans-125.3161.9-140.643.7-33.6000119.4
741T28.2Very low28.6Very low121 Ų121138.2 Ų138.274%0.74280%0.798SS**  trans43.2119.614755.90000122.6
742V27.3Very low28.3Very low149 Ų149140.4 Ų140.490%0.90381%0.805SS**  trans-136.2156.8140.2-179.20000108.3
743N29.8Very low28.5Very low146 Ų146139.5 Ų139.578%0.78181%0.811SS**  trans-106.1166.2-162-72.7-36.9000116.6
744S26.9Very low28.9Very low117 Ų117136.7 Ų136.782%0.81880%0.803SS**  trans80.1146164-1310000115.4
745I28.1Very low29Very low164 Ų164143 Ų14384%0.84181%0.814SS**  cis-129170.826.3-71.5172.3000112.7
746A29.1Very low29Very low86 Ų86142.1 Ų142.171%0.71181%0.808SS**PPolyproline II helixtrans-72.5162.6-16600000117.9
747P30.3Very low28.9Very low117 Ų117144.2 Ų144.276%0.7681%0.812SS**PPolyproline II helixtrans-90.8159.7-175.937-36.8000115
748I29.9Very low28.8Very low174 Ų174144.3 Ų144.389%0.89281%0.813SS**PPolyproline II helixtrans-97.7136.6171.849.6172.6000112.3
749N27.4Very low28.7Very low158 Ų158143.9 Ų143.985%0.84582%0.816SS**PPolyproline II helixtrans-91.1129.3-177.7-80.4-87.3000112.2
750A28.5Very low28.8Very low105 Ų105143.5 Ų143.587%0.86881%0.813SS**  trans-122.390.1169.800000111.3
751R27Very low28.9Very low241 Ų241144 Ų14491%0.90982%0.817SS**  trans-42.4131.2-179.8-67.3166.3169.1144.7-3.3115.8
752H25.9Very low28.9Very low183 Ų183144.3 Ų144.385%0.84782%0.824SS**  trans-80132.5157.6-161.3-90.8000109.8
753I30Very low29Very low154 Ų154142.9 Ų142.979%0.7982%0.82SS**  trans-164.5146.2162.4-111.6158.5000109.8
754P34.8Very low29Very low103 Ų103140.8 Ų140.867%0.66982%0.823SS**  trans-97171-156.637.9-37.9000115.6
755R27.8Very low29.1Very low251 Ų251143.7 Ų143.795%0.94783%0.829SS**  trans-131.5159157-83.2-163.5173.799-0.1111.2
756T29Very low29.1Very low118 Ų118144.2 Ų144.272%0.72483%0.825SS**  trans-123.3145-160.250.10000113.2
757L28.8Very low29Very low167 Ų167147.5 Ų147.587%0.87483%0.83SS**  trans50111144.4-61.1170000119
758S26.3Very low28.8Very low121 Ų121146.6 Ų146.685%0.84683%0.832SS**  -144.7139.8116.868.80000110.2
759A27.7Very low28.6Very low97 Ų97143 Ų14380%0.80283%0.828SS**  trans-145.9132.9173.700000108.1
760V30.1Very low28.6Very low136 Ų136140.4 Ų140.482%0.82483%0.829SS**  trans-135130.5178.9-177.50000107.6
761P34Very low28.7Very low117 Ų117140 Ų14076%0.7683%0.826SS**PPolyproline II helixtrans-86.8156.3-172.234.6-36.1000112.9
762S27.8Very low28.8Very low127 Ų127135.6 Ų135.689%0.88882%0.82SS**PPolyproline II helixtrans-102.5118.5162-60.50000110.1
763S30.6Very low28.9Very low119 Ų119133.1 Ų133.183%0.83282%0.822SS**PPolyproline II helixtrans-84.8159.1177.3460000112.1
764A28.2Very low28.9Very low102 Ų102133.7 Ų133.784%0.84382%0.821SS**PPolyproline II helixtrans-82.9145.5179.800000112.7
765L29.3Very low28.6Very low178 Ų178134.7 Ų134.793%0.93283%0.825SS**  trans-138.8160.9162.4-115.3164.7000109.7
766K28.5Very low28.5Very low174 Ų174128.8 Ų128.876%0.75782%0.822SS**  trans-149.7145.6-155.7-174.1-169176.1-175.90110.9
767L26.6Very low28.5Very low155 Ų155132 Ų13281%0.81283%0.826SS**  trans68.1159.3-176.8-55.5119.5000113.1
768A26Very low28.6Very low99 Ų99129.6 Ų129.682%0.81882%0.818SS**  cis-134.1-168.33.400000111.6
769A26.6Very low29.2Very low98 Ų98129.5 Ų129.581%0.8181%0.814SS**  trans-129.2173.8-176.500000113.3
770A28.1Very low29.2Very low104 Ų104129.7 Ų129.786%0.8681%0.81SS**  trans91.4164.7161.900000120
771A29.6Very low29.2Very low96 Ų96128.5 Ų128.579%0.79381%0.808SS**  trans79.167.116800000120.4
772N29.1Very low29Very low149 Ų149127.5 Ų127.580%0.79780%0.804SS**  10.2125.6115.6-175.524.5000118.7
773C28.6Very low29.2Very low130 Ų130126.7 Ų126.788%0.87880%0.798SS**  trans-163.3170.4145.3-130.40000113.4
774Q29.3Very low29.3Very low167 Ų167126.6 Ų126.678%0.7879%0.792SS**  trans-115.1152.4-160.4-67.9-177.4-14.400116.6
775V29.4Very low29.3Very low123 Ų123128.6 Ų128.675%0.74579%0.788SS**  trans35.4132.8137.2-176.90000120.5
776S26Very low29.2Very low127 Ų127125.4 Ų125.489%0.88878%0.781SS**  trans-147.7159.5147.2-83.60000111.6
777K28.5Very low29.2Very low186 Ų186122.8 Ų122.881%0.80978%0.779SS**  trans-147.5124.7-155.3172.5-176.4174.2-175.80113.7
778V29.5Very low30.2Very low117 Ų117120.8 Ų120.871%0.70978%0.776SS**  trans44.8120.5146.6-177.60000119.2
779P39.3Very low30.6Very low118 Ų118125.1 Ų125.177%0.76677%0.771SS**  -121.6152101.9-4.226000111.9
780S28.4Very low30.8Very low101 Ų101126.3 Ų126.371%0.70676%0.76SS**  cis66131.237.378.40000114.7
781S30.5Very low31Very low112 Ų112126.9 Ų126.978%0.78375%0.749SS**  cis-162-163.3-3.458.90000107.7
782S29.9Very low31.4Very low96 Ų96130.2 Ų130.267%0.67175%0.747SS**  cis-166.4-178.95.848.20000110.1
783S31.1Very low31.4Very low110 Ų110131 Ų13177%0.76975%0.746SS**  trans74154.1153.4-85.40000120.5
784V33.1Very low31.5Very low116 Ų116129.1 Ų129.170%0.70373%0.734SS**  cis-142.3152.44.3-980000112.5
785D27.1Very low31.5Very low144 Ų144128.9 Ų128.977%0.7773%0.733SS**  trans54.4153.6144.8-77.3-58.3000123.4
786S29Very low31.6Very low111 Ų111131.8 Ų131.878%0.77674%0.736SS**  cis-145.8169.410.1290000114.3
787V28.4Very low32.6Very low119 Ų119131.4 Ų131.472%0.72173%0.73SS**  trans-127143.7-167.1161.30000110.1R789V787-R789 HydrophobicContact CG1-CG 4.18Å
788P47.2Very low32.7Very low114 Ų114126.4 Ų126.474%0.7472%0.724SS**  -146.4127.8108.627.6-6000115.8
789R34.7Very low32.9Very low189 Ų189128 Ų12871%0.71373%0.727SS**  79.3145.888.2-68169.897.8112.122.6113.4V787V787-R789 HydrophobicContact CG1-CG 4.18Å
790E31.2Very low32.4Very low123 Ų123130 Ų13058%0.57573%0.732SS**  cis-165179.5-0.5-116165.5152.600107.8
791N30.9Very low32.5Very low117 Ų117131.6 Ų131.663%0.62673%0.732SS**  cis-152.6-170.89.8-137.9-47.3000113.5
792H37.8Very low32.5Very low166 Ų166133.8 Ų133.877%0.76973%0.734SS**  trans-77.1177.3-178.3-73.2-60.1000118.1
793E30.3Very low32.6Very low166 Ų166133.4 Ų133.478%0.77674%0.736SS**  cis-150.5-166.4-4.9-131.8-150.9109.800109.3
794S30.6Very low32.7Very low89 Ų89136.1 Ų136.162%0.62274%0.742SS**  cis-144.5-158.84.251.70000109.5
795E27.8Very low32.6Very low163 Ų163137.4 Ų137.476%0.76275%0.745SS**  cis-157.8-167.53-149.6-156.3-104.400110.3
796K32.9Very low32.8Very low184 Ų184137.5 Ų137.580%0.875%0.751SS**  trans-169.9157.4173.3-109.3170.6-168.5176.80111.6
797P47.6Very low32.9Very low119 Ų119138.4 Ų138.477%0.77375%0.752SS**  cis-133.4-146.549.832.5-8.5000112.2
798A30.4Very low33.2Very low81 Ų81137 Ų13767%0.66975%0.753SS**  cis-153.4134.82.100000109.4
799L33.5Very low32.3Very low149 Ų149140.7 Ų140.778%0.7876%0.762SS**  64.5111.487.6-62179.8000118.8
800N29.1Very low32.1Very low162 Ų162139.9 Ų139.987%0.86677%0.766SS**  -160170.2105.3-117.5-28.3000113.2
801N28.9Very low32.3Very low134 Ų134140.1 Ų140.172%0.71778%0.776SS**  trans-124.4-175.3-161.2-88.5-44.4000114.5
802I30.9Very low32.6Very low158 Ų158144.6 Ų144.681%0.8181%0.808SS**  trans81.6111.7167.2-61.5150.1000112.6
803A32.2Very low32.3Very low88 Ų88143.5 Ų143.573%0.72781%0.81SS**  cis82.5126.328.500000115.3
804D32.3Very low32.4Very low166 Ų166142.3 Ų142.389%0.88881%0.812SS**  trans-154.2149149.2-129.8-25.4000111.4
805N31.3Very low32.5Very low143 Ų143145.3 Ų145.377%0.76582%0.822SS**  trans-110.6144.2173.5-78.6-87.1000109.2
806T31.6Very low32.8Very low146 Ų146144.2 Ų144.290%0.89683%0.826SS**  trans-133.4135.7150.6-53.70000109.4
807V31.6Very low32.8Very low130 Ų130141.8 Ų141.879%0.78883%0.827SS**  trans-89.2157.3-166.7178.90000111.2
808A34.3Very low31.8Very low90 Ų90143.3 Ų143.374%0.74483%0.831SS**  trans-64.2162.7172.700000112.6
809M27.7Very low31.9Very low191 Ų191147.7 Ų147.794%0.94184%0.843SS**  trans-137.9137.7156.5-146.8178.879.800109.5
810E32Very low31.8Very low172 Ų172147.6 Ų147.680%0.80485%0.847SS**  trans-87.8152.2-174.1-69-170.3135.300113
811V33.9Very low32Very low128 Ų128146.4 Ų146.478%0.77685%0.846SS**  trans42.4119143-179.40000119.2
812T37.3Very low32.3Very low211 Ų211147.5 Ų147.5100%1.29486%0.857SS**  -137.10129-500000108.4

Retrieved 812 of 812 residues in 383.1 ms (Link to these results)