A0A087YE85_POEFO Loading...

Leiomodin-2

Mediates nucleation of actin filaments and thereby promotes actin polymerization. Plays a role in the regulation of actin filament length. Required for normal sarcomere organization in the heart, and for normal heart function.

AlphaFold DB , UniProt , Accession A0A087YE85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 534 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
1M42.2Very low51.2Low244 Ų244141.6 Ų141.6100%1.20267%0.672SS**  0160.40-74.2163.817000108.8
2S40.4Very low52.4Low93 Ų93142.9 Ų142.965%0.6567%0.673SS**  trans-70.4134.9-179-178.20000111.2F4S2-F4 PolarHBondContact OG-N 3.31Å; S2-F4 VanDerWaalsContact OG-N 3.14Å
3F46.8Very low53.3Low168 Ų168144.6 Ų144.674%0.73767%0.671SS**  trans-100.95.7167.8-141.6-91000112.2G5F3-G5 VanDerWaalsContact C-N 3.31Å; F3-G5 PolarHBondContact O-N 3.27Å
4F45.8Very low54.2Low170 Ų170144.5 Ų144.575%0.74667%0.671SS**THydrogen-bonded Turntrans-82.9-1.2-176.3-104.5-86.6000114.6S2S2-F4 PolarHBondContact OG-N 3.31Å; S2-F4 VanDerWaalsContact OG-N 3.14Å
5G49.6Very low55.2Low37 Ų37145.3 Ų145.338%0.38168%0.682SS.*THydrogen-bonded Turntrans-78.5-68.9173.200000111.7F3 R7 R8F3-G5 VanDerWaalsContact C-N 3.31Å; F3-G5 PolarHBondContact O-N 3.27Å; G5-R7 VanDerWaalsContact C-N 3.29Å; G5-R7 PolarHBondContact O-N 3.16Å; G5-R8 WeakPolarHBondContact O-CB 3.45Å; G5-R8 PolarHBondContact O-N 3.29Å
6Y49.4Very low56.5Low148 Ų148140.1 Ų140.158%0.5866%0.663SS**G310 helixtrans-45.9-42-171.5-63.2-70000115.6R8 E9 L10Y6-R8 PolarHBondContact O-N 3.45Å; Y6-R8 VanDerWaalsContact O-N 3.15Å; Y6-E9 PolarHBondContact O-N 3.19Å; Y6-E9 VanDerWaalsContact O-N 3.09Å; Y6-L10 PolarHBondContact O-N 3.11Å
7R51.6Low57.6Low223 Ų223137.4 Ų137.484%0.84265%0.654SS**G310 helixtrans-66.3-16.1-179.6-151.5179.7-156.9-124.1-0.5114G5G5-R7 VanDerWaalsContact C-N 3.29Å; G5-R7 PolarHBondContact O-N 3.16Å
8R55.8Low58.5Low192 Ų192138.1 Ų138.173%0.72566%0.656SS**G310 helixtrans-96.8-4.5176.9-152.9-177.3-63.5-178.9-0.9113G5 Y6G5-R8 WeakPolarHBondContact O-CB 3.45Å; G5-R8 PolarHBondContact O-N 3.29Å; Y6-R8 PolarHBondContact O-N 3.45Å; Y6-R8 VanDerWaalsContact O-N 3.15Å
9E57.9Low59.2Low109 Ų109137.5 Ų137.551%0.50966%0.657SS.*THydrogen-bonded Turntrans-101-32.3177.5-68.1169.6147.300111.1Y6 S11 K12Y6-E9 PolarHBondContact O-N 3.19Å; Y6-E9 VanDerWaalsContact O-N 3.09Å; E9-S11 VanDerWaalsContact C-N 3.29Å; E9-S11 PolarHBondContact O-N 2.89Å; E9-K12 PolarHBondContact O-N 3.5Å
10L58.4Low60.4Low110 Ų110138 Ų13858%0.57666%0.659SS**G310 helixtrans-61.7-30.3174.3-74.2165.2000114Y6 K12 Y13Y6-L10 PolarHBondContact O-N 3.11Å; L10-K12 PolarHBondContact O-N 3.05Å; L10-Y13 WeakPolarHBondContact O-CB 3.25Å; L10-Y13 PolarHBondContact O-N 3.46Å
11S65.4Low61.2Low64 Ų64136 Ų13645%0.44865%0.651SS.*G310 helixtrans-66.6-3.4179.3-165.20000114.2E9 Y13 E14E9-S11 VanDerWaalsContact C-N 3.29Å; E9-S11 PolarHBondContact O-N 2.89Å; S11-Y13 VanDerWaalsContact C-N 3.31Å; S11-E14 WeakPolarHBondContact CA-OE2 3.43Å; S11-E14 WeakPolarHBondContact CB-OE2 3.42Å; S11-E14 PolarHBondContact OG-OE2 2.83Å
12K65.8Low62.8Low157 Ų157128.7 Ų128.768%0.68362%0.617SS**G310 helixtrans-84.2-6167.9-60.9178.3-179.1175.70113.8E9 L10E9-K12 PolarHBondContact O-N 3.5Å; L10-K12 PolarHBondContact O-N 3.05Å
13Y63.6Low64.5Low165 Ų165128.6 Ų128.665%0.64762%0.621SS**SBendtrans-118.62.8-177.4-57.9-88.1000111.9L10 S11 D15 V16L10-Y13 WeakPolarHBondContact O-CB 3.25Å; L10-Y13 PolarHBondContact O-N 3.46Å; S11-Y13 VanDerWaalsContact C-N 3.31Å; Y13-D15 VanDerWaalsContact C-N 3.32Å; Y13-V16 HydrophobicContact CD1-CG2 4.4Å
14E66.3Low66.1Low143 Ų143124.7 Ų124.767%0.66862%0.615SS**THydrogen-bonded Turntrans-75.8-21.1176-70.7172.6150.500112.2S11S11-E14 WeakPolarHBondContact CA-OE2 3.43Å; S11-E14 WeakPolarHBondContact CB-OE2 3.42Å; S11-E14 PolarHBondContact OG-OE2 2.83Å
15D69.4Low67.7Low157 Ų157119.1 Ų119.184%0.8459%0.593SS**THydrogen-bonded Turntrans-10520.4177.7-58.4-49.8000113Y13Y13-D15 VanDerWaalsContact C-N 3.32Å
16V75.5Confident69.4Low61 Ų61119.6 Ų119.637%0.3759%0.59SS.*  trans-97.1125.8-177.4171.30000110.3Y13 E18 L21Y13-V16 HydrophobicContact CD1-CG2 4.4Å; V16-E18 PolarHBondContact O-N 3.22Å; V16-L21 HydrophobicContact CG1-CD1 3.46Å; V16-L21 VanDerWaalsContact CG1-CD1 3.46Å; V16-L21 HydrophobicContact CG1-CG 4.27Å
17D76.2Confident70.8Confident95 Ų95117.6 Ų117.651%0.50860%0.595SS.*  trans-73.4106.2177.8-164.5-47.5000110.4D19 E20 L21D17-D19 VanDerWaalsContact C-N 3.32Å; D17-D19 PolarHBondContact OD1-N 3.39Å; D17-E20 HydrophobicContact CB-CB 4.03Å; D17-E20 PolarHBondContact OD1-N 3.41Å; D17-L21 PolarHBondContact O-N 3.03Å
18E72.6Confident72.1Confident149 Ų149115 Ų11570%0.69659%0.593SS**Hα-helixtrans-67.8-32.2-178.6-60.5-171.9167.300111.8V16 L22V16-E18 PolarHBondContact O-N 3.22Å; E18-L22 WeakPolarHBondContact O-CB 3.37Å; E18-L22 VanDerWaalsContact O-CG 3.25Å; E18-L22 WeakPolarHBondContact O-CG 3.29Å; E18-L22 PolarHBondContact O-N 3.13Å
19D72Confident73.3Confident127 Ų127110.7 Ų110.768%0.67958%0.581SS**Hα-helixtrans-75.5-38.7-179.9-78.1-34.4000111.5D17 L21 L22 A23D17-D19 VanDerWaalsContact C-N 3.32Å; D17-D19 PolarHBondContact OD1-N 3.39Å; D19-L21 VanDerWaalsContact C-N 3.35Å; D19-L22 PolarHBondContact O-N 2.86Å; D19-A23 VanDerWaalsContact O-CB 3.3Å; D19-A23 WeakPolarHBondContact O-CB 3.25Å; D19-A23 PolarHBondContact O-N 3.21Å
20E83.1Confident74.2Confident147 Ų147108.9 Ų108.969%0.68757%0.574SS**Hα-helixtrans-62.7-41.6172.1-172.4174.9-161.400111.2D17 A23 S24D17-E20 HydrophobicContact CB-CB 4.03Å; D17-E20 PolarHBondContact OD1-N 3.41Å; E20-A23 PolarHBondContact O-N 3.46Å; E20-S24 WeakPolarHBondContact O-CB 3.47Å; E20-S24 PolarHBondContact O-N 3.07Å; E20-S24 VanDerWaalsContact O-N 3.09Å
21L76.8Confident75Confident97 Ų97106.2 Ų106.251%0.50857%0.568SS.*Hα-helixtrans-63-47.9175.1-76-179.1000112.1V16 D17 D19 A23 S24 L25V16-L21 HydrophobicContact CG1-CD1 3.46Å; V16-L21 VanDerWaalsContact CG1-CD1 3.46Å; V16-L21 HydrophobicContact CG1-CG 4.27Å; D17-L21 PolarHBondContact O-N 3.03Å; D19-L21 VanDerWaalsContact C-N 3.35Å; L21-A23 VanDerWaalsContact C-N 3.3Å; L21-A23 PolarHBondContact O-N 3.3Å; L21-S24 PolarHBondContact O-N 3.35Å; L21-S24 PolarHBondContact O-OG 3.19Å; L21-L25 PolarHBondContact O-N 2.9Å
22L76.3Confident75.6Confident91 Ų91108.2 Ų108.248%0.47657%0.57SS.*Hα-helixtrans-62.3-36.2178.4-73.9169.6000112.4E18 D19 S24 L25 L30E18-L22 WeakPolarHBondContact O-CB 3.37Å; E18-L22 VanDerWaalsContact O-CG 3.25Å; E18-L22 WeakPolarHBondContact O-CG 3.29Å; E18-L22 PolarHBondContact O-N 3.13Å; D19-L22 PolarHBondContact O-N 2.86Å; L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 3.45Å; L22-L25 HydrophobicContact CD2-CD1 4.35Å; L22-L30 HydrophobicContact CD2-CD2 4.21Å
23A77.1Confident76Confident90 Ų90104.4 Ų104.474%0.74456%0.557SS**Hα-helixtrans-71.4-20.2174.500000113.9D19 E20 L21D19-A23 VanDerWaalsContact O-CB 3.3Å; D19-A23 WeakPolarHBondContact O-CB 3.25Å; D19-A23 PolarHBondContact O-N 3.21Å; E20-A23 PolarHBondContact O-N 3.46Å; L21-A23 VanDerWaalsContact C-N 3.3Å; L21-A23 PolarHBondContact O-N 3.3Å
24S80.4Confident76.3Confident86 Ų86102.2 Ų102.260%0.60155%0.553SS**Hα-helixtrans-84.6-19.2179.878.40000114.5E20 L21 L22E20-S24 WeakPolarHBondContact O-CB 3.47Å; E20-S24 PolarHBondContact O-N 3.07Å; E20-S24 VanDerWaalsContact O-N 3.09Å; L21-S24 PolarHBondContact O-N 3.35Å; L21-S24 PolarHBondContact O-OG 3.19Å; L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 3.45Å
25L79.1Confident76.7Confident54 Ų54101.2 Ų101.228%0.28355%0.546SS..SBendtrans-74.5146.1-177.4-71.1167.9000112.4L21 L22 E29 L30 L33L21-L25 PolarHBondContact O-N 2.9Å; L22-L25 HydrophobicContact CD2-CD1 4.35Å; L25-E29 HydrophobicContact CD2-CB 4.17Å; L25-L30 HydrophobicContact CB-CD1 4.44Å; L25-L30 HydrophobicContact CB-CD2 4.13Å; L25-L30 HydrophobicContact CB-CG 3.9Å; L25-L30 HydrophobicContact CD1-CD2 3.89Å; L25-L30 HydrophobicContact CD1-CG 4.46Å; L25-L33 HydrophobicContact CD1-CD1 3.57Å
26S85.4Confident76.7Confident46 Ų4699.8 Ų99.832%0.32254%0.535SS..  trans-73.2156171.973.60000111.6E28 E29 L30S26-E28 PolarHBondContact O-N 3.04Å; S26-E28 VanDerWaalsContact O-N 3.15Å; S26-E29 WeakPolarHBondContact CB-OE2 3.46Å; S26-E29 PolarHBondContact N-OE2 2.9Å; S26-E29 PolarHBondContact O-N 2.93Å; S26-E29 VanDerWaalsContact O-N 3.12Å; S26-E29 VanDerWaalsContact OG-CD 3.26Å; S26-E29 WeakPolarHBondContact OG-CG 3.32Å; S26-E29 PolarHBondContact OG-N 3.28Å; S26-E29 PolarHBondContact OG-OE2 3.07Å; S26-L30 PolarHBondContact O-N 2.94Å
27P77.2Confident76.2Confident107 Ų107102 Ų10270%0.69554%0.544SS*.Hα-helixtrans-64.6-17.3178.825.7-35.5000114.1A31P27-A31 PolarHBondContact O-N 3.28Å
28E79.4Confident75.5Confident167 Ų167101.5 Ų101.578%0.7854%0.544SS*.Hα-helixtrans-80.2-38.6173-63-171.7167.900111.3S26 A31 E32S26-E28 PolarHBondContact O-N 3.04Å; S26-E28 VanDerWaalsContact O-N 3.15Å; E28-A31 PolarHBondContact O-N 3.08Å; E28-E32 PolarHBondContact O-N 3.13Å
29E81Confident74.9Confident103 Ų103101.5 Ų101.548%0.48155%0.549SS..Hα-helixtrans-69-38175.4-68.8160.6133.100112.1L25 S26 A31 E32 L33L25-E29 HydrophobicContact CD2-CB 4.17Å; S26-E29 WeakPolarHBondContact CB-OE2 3.46Å; S26-E29 PolarHBondContact N-OE2 2.9Å; S26-E29 PolarHBondContact O-N 2.93Å; S26-E29 VanDerWaalsContact O-N 3.12Å; S26-E29 VanDerWaalsContact OG-CD 3.26Å; S26-E29 WeakPolarHBondContact OG-CG 3.32Å; S26-E29 PolarHBondContact OG-N 3.28Å; S26-E29 PolarHBondContact OG-OE2 3.07Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 3.36Å; E29-E32 PolarHBondContact O-N 2.97Å; E29-L33 PolarHBondContact O-N 3.38Å
30L77.2Confident74.4Confident70 Ų70100.7 Ų100.737%0.36654%0.544SS..Hα-helixtrans-61.4-37.8172.6-74166.9000112.1L22 L25 S26 L33 E34L22-L30 HydrophobicContact CD2-CD2 4.21Å; L25-L30 HydrophobicContact CB-CD1 4.44Å; L25-L30 HydrophobicContact CB-CD2 4.13Å; L25-L30 HydrophobicContact CB-CG 3.9Å; L25-L30 HydrophobicContact CD1-CD2 3.89Å; L25-L30 HydrophobicContact CD1-CG 4.46Å; S26-L30 PolarHBondContact O-N 2.94Å; L30-L33 PolarHBondContact O-N 3.03Å; L30-E34 PolarHBondContact O-N 3.33Å
31A74.8Confident73.2Confident55 Ų55101.2 Ų101.246%0.45555%0.551SS.*Hα-helixtrans-72.2-30175.700000113P27 E28 E29 K35P27-A31 PolarHBondContact O-N 3.28Å; E28-A31 PolarHBondContact O-N 3.08Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 3.36Å; A31-K35 WeakPolarHBondContact O-CB 3.46Å; A31-K35 PolarHBondContact O-N 3.16Å
32E78.6Confident72.6Confident105 Ų105100.4 Ų100.449%0.49155%0.551SS.*Hα-helixtrans-70.3-38.9170.7-170.4116.8-104.600111.2E28 E29 K35 E36E28-E32 PolarHBondContact O-N 3.13Å; E29-E32 PolarHBondContact O-N 2.97Å; E32-K35 CarbonylContact O-C 3.56Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 3.43Å; E32-K35 IonicContact OE1-NZ 2.76Å; E32-K35 PolarHBondContact OE1-NZ 3.17Å; E32-E36 PolarHBondContact O-N 3.38Å
33L73.7Confident72.1Confident77 Ų77100 Ų10040%0.40355%0.55SS.*Hα-helixtrans-63-44.2172.9-88158.9000113.3L25 E29 L30 K35 E36 L37L25-L33 HydrophobicContact CD1-CD1 3.57Å; E29-L33 PolarHBondContact O-N 3.38Å; L30-L33 PolarHBondContact O-N 3.03Å; L33-K35 PolarHBondContact O-N 3.12Å; L33-E36 PolarHBondContact O-N 3Å; L33-L37 WeakPolarHBondContact O-CB 3.27Å; L33-L37 PolarHBondContact O-N 3.33Å
34E70.5Confident71.6Confident119 Ų11999.8 Ų99.856%0.55655%0.548SS*.Hα-helixtrans-61.1-31.4174.9-163.2-161.5153.800112.2L30 L37 R53L30-E34 PolarHBondContact O-N 3.33Å; E34-L37 WeakPolarHBondContact O-CB 3.35Å; E34-R53 PolarHBondContact O-NH2 3.36Å
35K74.4Confident71.1Confident122 Ų122102.2 Ų102.253%0.5355%0.554SS.*Hα-helixtrans-76.2-38.3176.1169.5-172.3156.6-139.90112.2A31 E32 L33 L37 V38A31-K35 WeakPolarHBondContact O-CB 3.46Å; A31-K35 PolarHBondContact O-N 3.16Å; E32-K35 CarbonylContact O-C 3.56Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 3.43Å; E32-K35 IonicContact OE1-NZ 2.76Å; E32-K35 PolarHBondContact OE1-NZ 3.17Å; L33-K35 PolarHBondContact O-N 3.12Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-V38 WeakPolarHBondContact O-CB 3.41Å; K35-V38 WeakPolarHBondContact O-CG2 3.47Å; K35-V38 PolarHBondContact O-N 2.74Å; K35-V38 VanDerWaalsContact O-N 3.11Å
36E70.2Confident70.4Confident127 Ų127102.2 Ų102.259%0.59356%0.556SS**Hα-helixtrans-68.2-31.2171-68-158.2148.800111.9E32 L33 V38 D39E32-E36 PolarHBondContact O-N 3.38Å; L33-E36 PolarHBondContact O-N 3Å; E36-V38 PolarHBondContact O-N 2.97Å; E36-D39 PolarHBondContact O-N 3.34Å
37L64.4Low69.5Low107 Ų107104.1 Ų104.156%0.5657%0.567SS**THydrogen-bonded Turntrans-62.93.9166.8-95.2155.5000114.7L33 E34 K35 R53L33-L37 WeakPolarHBondContact O-CB 3.27Å; L33-L37 PolarHBondContact O-N 3.33Å; E34-L37 WeakPolarHBondContact O-CB 3.35Å; K35-L37 VanDerWaalsContact C-N 3.3Å; L37-R53 PolarHBondContact O-NH2 3.43Å
38V62.3Low68.7Low86 Ų86105.9 Ų105.952%0.52157%0.569SS.*THydrogen-bonded Turntrans-81.7-36.1165.8-179.50000111.5K35 E36 R53K35-V38 WeakPolarHBondContact O-CB 3.41Å; K35-V38 WeakPolarHBondContact O-CG2 3.47Å; K35-V38 PolarHBondContact O-N 2.74Å; K35-V38 VanDerWaalsContact O-N 3.11Å; E36-V38 PolarHBondContact O-N 2.97Å; V38-R53 VanDerWaalsContact CG2-NH2 3.26Å
39D58.1Low67.9Low149 Ų149100.6 Ų100.680%0.79756%0.56SS**THydrogen-bonded Turntrans-97.9-1.8-169.5-68.6-30.7000113.2E36E36-D39 PolarHBondContact O-N 3.34Å
40I62.5Low67.1Low110 Ų110102.4 Ų102.456%0.56457%0.572SS**SBendtrans-88.8120.8173.4-59.8173.2000109.6P42I40-P42 WeakPolarHBondContact O-CD 3.4Å
41D57.6Low66.6Low158 Ų158103.4 Ų103.485%0.84557%0.571SS**PPolyproline II helixtrans-57.1119.7173.3-98.4-37.2000110.5D43D41-D43 PolarHBondContact O-N 3.48Å
42P64.8Low66.1Low79 Ų79107.1 Ų107.151%0.51358%0.579SS.*PPolyproline II helixtrans-72.9125.3-171.128-35.2000111.8I40 A44 R51I40-P42 WeakPolarHBondContact O-CD 3.4Å; P42-A44 PolarHBondContact O-N 2.89Å; P42-R51 HydrophobicContact CB-CG 4.39Å; P42-R51 PolarHBondContact O-NH1 3.31Å
43D64.9Low65.3Low84 Ų84107.6 Ų107.645%0.44958%0.576SS.*  trans-45124.2-167.5178.811.7000113.3D41 N45 V46 R51D41-D43 PolarHBondContact O-N 3.48Å; D43-N45 PolarHBondContact O-N 3.12Å; D43-N45 PolarHBondContact OD1-N 3.29Å; D43-N45 PolarHBondContact OD1-ND2 2.85Å; D43-N45 PolarHBondContact OD2-ND2 3.09Å; D43-V46 HydrophobicContact CB-CG2 4.12Å; D43-V46 PolarHBondContact O-N 3.49Å; D43-V46 VanDerWaalsContact O-N 3.08Å; D43-R51 PolarHBondContact O-NE 3.27Å; D43-R51 PolarHBondContact O-NH1 2.68Å; D43-R51 PolarHBondContact O-NH2 3.07Å; D43-R51 VanDerWaalsContact O-NH2 3.08Å
44A67.1Low64.6Low84 Ų84111.3 Ų111.369%0.69460%0.597SS**THydrogen-bonded Turntrans-48.2-26.3175.400000114.6P42 R51P42-A44 PolarHBondContact O-N 2.89Å; A44-R51 PolarHBondContact O-NH2 2.92Å
45N70.3Confident64.2Low138 Ų138112.6 Ų112.674%0.73860%0.602SS**THydrogen-bonded Turntrans-83.4-22.8-179.1-54.2-54.2000114.7D43D43-N45 PolarHBondContact O-N 3.12Å; D43-N45 PolarHBondContact OD1-N 3.29Å; D43-N45 PolarHBondContact OD1-ND2 2.85Å; D43-N45 PolarHBondContact OD2-ND2 3.09Å
46V63.4Low63.3Low53 Ų53110.7 Ų110.732%0.32160%0.601SS.*SBendtrans-75.7134.4-173.5176.60000111.2D43 L50 R51D43-V46 HydrophobicContact CB-CG2 4.12Å; D43-V46 PolarHBondContact O-N 3.49Å; D43-V46 VanDerWaalsContact O-N 3.08Å; V46-L50 HydrophobicContact CG1-CB 3.73Å; V46-R51 HydrophobicContact CB-CG 4.31Å; V46-R51 HydrophobicContact CG1-CG 4.12Å; V46-R51 PolarHBondContact O-NE 3.23Å; V46-R51 PolarHBondContact O-NH2 3.24Å
47P66.4Low62.8Low86 Ų86113.2 Ų113.256%0.55862%0.619SS**  trans-55.5139175.3-27.935.7000112.8G49 L50 R51P47-G49 VanDerWaalsContact C-N 3.25Å; P47-G49 PolarHBondContact O-N 3.07Å; P47-G49 VanDerWaalsContact O-N 3.1Å; P47-L50 HydrophobicContact CG-CD1 4.39Å; P47-L50 PolarHBondContact O-N 2.72Å; P47-R51 PolarHBondContact O-N 2.93Å
48I61.6Low62.8Low144 Ų144115.9 Ų115.974%0.73863%0.626SS**Hα-helixtrans-62.1-28.1-167.3-161.9161.6000114.5L50 R51 Q52I48-L50 VanDerWaalsContact C-N 3.29Å; I48-L50 PolarHBondContact O-N 3.5Å; I48-R51 PolarHBondContact O-N 3.3Å; I48-Q52 PolarHBondContact O-N 2.86Å
49G62Low62.6Low56 Ų56117.6 Ų117.658%0.57764%0.637SS**Hα-helixtrans-66.8-26.2173.400000114P47P47-G49 VanDerWaalsContact C-N 3.25Å; P47-G49 PolarHBondContact O-N 3.07Å; P47-G49 VanDerWaalsContact O-N 3.1Å
50L64.7Low62.8Low142 Ų142116.4 Ų116.474%0.74364%0.637SS**Hα-helixtrans-88.8-5.2175-63.8173000112.8V46 P47 I48V46-L50 HydrophobicContact CG1-CB 3.73Å; P47-L50 HydrophobicContact CG-CD1 4.39Å; P47-L50 PolarHBondContact O-N 2.72Å; I48-L50 VanDerWaalsContact C-N 3.29Å; I48-L50 PolarHBondContact O-N 3.5Å
51R66.5Low62.7Low91 Ų91118 Ų11834%0.34365%0.652SS.*Hα-helixtrans-91.8-16.8167.4-52.9-177.4-159.3-150.78112.7P42 D43 A44 V46 P47 I48 R53P42-R51 HydrophobicContact CB-CG 4.39Å; P42-R51 PolarHBondContact O-NH1 3.31Å; D43-R51 PolarHBondContact O-NE 3.27Å; D43-R51 PolarHBondContact O-NH1 2.68Å; D43-R51 PolarHBondContact O-NH2 3.07Å; D43-R51 VanDerWaalsContact O-NH2 3.08Å; A44-R51 PolarHBondContact O-NH2 2.92Å; V46-R51 HydrophobicContact CB-CG 4.31Å; V46-R51 HydrophobicContact CG1-CG 4.12Å; V46-R51 PolarHBondContact O-NE 3.23Å; V46-R51 PolarHBondContact O-NH2 3.24Å; P47-R51 PolarHBondContact O-N 2.93Å; I48-R51 PolarHBondContact O-N 3.3Å; R51-R53 PolarHBondContact O-N 3.05Å
52Q64Low63.4Low133 Ų133113.6 Ų113.662%0.62164%0.644SS**SBendtrans-81.1112-178.8-179.8171.9-25.900108.7I48I48-Q52 PolarHBondContact O-N 2.86Å
53R61Low63.7Low115 Ų115116.5 Ų116.543%0.43466%0.66SS.*  trans-56.1142.4172.8-62.9-177.7179.1-154-6.3110.8E34 L37 V38 R51 Q55E34-R53 PolarHBondContact O-NH2 3.36Å; L37-R53 PolarHBondContact O-NH2 3.43Å; V38-R53 VanDerWaalsContact CG2-NH2 3.26Å; R51-R53 PolarHBondContact O-N 3.05Å; R53-Q55 PolarHBondContact O-N 2.98Å; R53-Q55 PolarHBondContact O-NE2 2.93Å; R53-Q55 VanDerWaalsContact O-NE2 3.12Å
54D60.4Low64Low155 Ų155120.1 Ų120.183%0.82967%0.672SS**  trans-59.9128.9168.2-94.3-43000109.8
55Q62.4Low64.3Low145 Ų145119 Ų11968%0.67866%0.659SS**  trans-11128.5-173.9-76.8155.764.700111.2R53R53-Q55 PolarHBondContact O-N 2.98Å; R53-Q55 PolarHBondContact O-NE2 2.93Å; R53-Q55 VanDerWaalsContact O-NE2 3.12Å
56T54.7Low64.6Low82 Ų82121 Ų12150%0.50366%0.656SS.*  trans-145.9118.9-173.449.80000112.7K58T56-K58 PolarHBondContact O-N 2.76Å
57D59Low65.4Low180 Ų180125.8 Ų125.896%0.96368%0.675SS**  trans-71.226.7173.8-32.8-82.4000113.3
58K65.1Low66Low164 Ų164124.6 Ų124.671%0.71367%0.672SS**SBendtrans-105.5124.9-174.3-66.9178.4-177.9172.70109T56T56-K58 PolarHBondContact O-N 2.76Å
59T58.7Low66.9Low122 Ų122121 Ų12175%0.74866%0.655SS**  trans-57136.4171.846.20000110.5T61T59-T61 PolarHBondContact O-N 3.37Å; T59-T61 VanDerWaalsContact O-N 3.14Å; T59-T61 PolarHBondContact O-OG1 3.44Å
60P61.7Low67.7Low124 Ų124122.8 Ų122.881%0.80565%0.649SS**  trans-60120.7-173.622-32.8000110.2G62P60-G62 PolarHBondContact O-N 3.37Å
61T61.2Low68.7Low144 Ų144122.5 Ų122.588%0.88364%0.641SS**  trans-83.561.5-170.3-490000111.3T59T59-T61 PolarHBondContact O-N 3.37Å; T59-T61 VanDerWaalsContact O-N 3.14Å; T59-T61 PolarHBondContact O-OG1 3.44Å
62G71.8Confident69.7Low64 Ų64124 Ų12466%0.6665%0.648SS**SBendtrans76175.2-178.200000114.3P60P60-G62 PolarHBondContact O-N 3.37Å
63T70.9Confident70.8Confident141 Ų141125.6 Ų125.687%0.86565%0.648SS**  trans-77.8149175.746.80000111.6S65T63-S65 PolarHBondContact O-N 3.04Å
64F70.6Confident72Confident160 Ų160125.2 Ų125.270%0.70265%0.652SS**  trans-70.7100.6-178.6173.9-100.3000111.7R66 L69F64-R66 HydrophobicContact CE1-CB 4.23Å; F64-R66 PolarHBondContact O-N 3.25Å; F64-L69 HydrophobicContact CE2-CD2 3.91Å; F64-L69 HydrophobicContact CZ-CB 4.47Å; F64-L69 HydrophobicContact CZ-CD2 3.65Å
65S74.9Confident73.2Confident59 Ų59121.7 Ų121.741%0.41363%0.633SS.*  trans-79.6106.4171.2176.70000111.1T63 E67 A68 L69T63-S65 PolarHBondContact O-N 3.04Å; S65-E67 PolarHBondContact O-N 2.9Å; S65-A68 PolarHBondContact O-N 3.09Å; S65-A68 PolarHBondContact OG-N 3.38Å; S65-L69 PolarHBondContact O-N 2.98Å; S65-L69 VanDerWaalsContact O-N 3.14Å
66R74.9Confident74.3Confident180 Ų180117.5 Ų117.568%0.67961%0.613SS**Hα-helixtrans-57.1-37.3173.1-178.7177.2174.9-88.10.1112.1F64 L69 M70F64-R66 HydrophobicContact CE1-CB 4.23Å; F64-R66 PolarHBondContact O-N 3.25Å; R66-L69 PolarHBondContact O-N 3.1Å; R66-M70 WeakPolarHBondContact O-CG 3.46Å; R66-M70 PolarHBondContact O-N 3.18Å
67E80.3Confident75.6Confident155 Ų155117 Ų11772%0.72461%0.61SS**Hα-helixtrans-67.1-43.5177.9-61.1-172.1159.400112.4S65 L69 M70 K71S65-E67 PolarHBondContact O-N 2.9Å; E67-L69 PolarHBondContact O-N 3.21Å; E67-M70 PolarHBondContact O-N 3.21Å; E67-K71 VanDerWaalsContact O-CB 3.23Å; E67-K71 WeakPolarHBondContact O-CB 3.44Å; E67-K71 PolarHBondContact O-N 3.23Å
68A79.6Confident76.6Confident60 Ų60115.1 Ų115.150%0.49659%0.59SS.*Hα-helixtrans-61.2-36.8175.700000111.4S65 Y72S65-A68 PolarHBondContact O-N 3.09Å; S65-A68 PolarHBondContact OG-N 3.38Å; A68-Y72 WeakPolarHBondContact O-CB 3.42Å; A68-Y72 PolarHBondContact O-N 3.34Å
69L81.4Confident77.4Confident70 Ų70112.3 Ų112.337%0.36658%0.577SS.*Hα-helixtrans-65.6-52.9172.7-174.866.7000111.7F64 S65 R66 E67 K71 Y72 W73F64-L69 HydrophobicContact CE2-CD2 3.91Å; F64-L69 HydrophobicContact CZ-CB 4.47Å; F64-L69 HydrophobicContact CZ-CD2 3.65Å; S65-L69 PolarHBondContact O-N 2.98Å; S65-L69 VanDerWaalsContact O-N 3.14Å; R66-L69 PolarHBondContact O-N 3.1Å; E67-L69 PolarHBondContact O-N 3.21Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3.39Å; L69-Y72 WeakPolarHBondContact O-CB 3.42Å; L69-Y72 PolarHBondContact O-N 3.12Å; L69-W73 VanDerWaalsContact O-CD1 3.3Å; L69-W73 PolarHBondContact O-N 3.12Å
70M77.9Confident78.2Confident92 Ų92111.8 Ų111.845%0.45357%0.57SS.*Hα-helixtrans-55.8-46.1179.4-70.7-58.6-60.100111.5R66 E67 Y72 W73 E74R66-M70 WeakPolarHBondContact O-CG 3.46Å; R66-M70 PolarHBondContact O-N 3.18Å; E67-M70 PolarHBondContact O-N 3.21Å; M70-Y72 VanDerWaalsContact C-N 3.31Å; M70-Y72 PolarHBondContact O-N 3.14Å; M70-W73 PolarHBondContact O-N 3.45Å; M70-W73 VanDerWaalsContact O-N 3.14Å; M70-E74 WeakPolarHBondContact O-CG 3.42Å; M70-E74 PolarHBondContact O-N 3.14Å
71K86.1Confident78.8Confident136 Ų136110.3 Ų110.359%0.59155%0.554SS**Hα-helixtrans-64.9-30.8177-168.8169.4-173.4167.90113.3E67 L69 N75E67-K71 VanDerWaalsContact O-CB 3.23Å; E67-K71 WeakPolarHBondContact O-CB 3.44Å; E67-K71 PolarHBondContact O-N 3.23Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3.39Å; K71-N75 WeakPolarHBondContact O-CB 3.46Å; K71-N75 VanDerWaalsContact O-CG 3.26Å; K71-N75 PolarHBondContact O-N 3.02Å; K71-N75 PolarHBondContact O-ND2 2.98Å
72Y87.6Confident79.4Confident123 Ų123109 Ų10948%0.48254%0.538SS..Hα-helixtrans-67-47.2170.1173-107.9000111.3A68 L69 M70 E74 N75 E76A68-Y72 WeakPolarHBondContact O-CB 3.42Å; A68-Y72 PolarHBondContact O-N 3.34Å; L69-Y72 WeakPolarHBondContact O-CB 3.42Å; L69-Y72 PolarHBondContact O-N 3.12Å; M70-Y72 VanDerWaalsContact C-N 3.31Å; M70-Y72 PolarHBondContact O-N 3.14Å; Y72-E74 PolarHBondContact O-N 3.37Å; Y72-N75 PolarHBondContact O-N 3.2Å; Y72-E76 HydrophobicContact CE2-CB 4.41Å; Y72-E76 WeakPolarHBondContact CE2-OE2 3.5Å; Y72-E76 PolarHBondContact O-N 3.36Å; Y72-E76 PolarHBondContact OH-OE2 2.98Å
73W86.1Confident79.3Confident166 Ų166110 Ų11063%0.62953%0.529SS*.Hα-helixtrans-63.7-39.7177.8-81.580.3000112.8L69 M70 T77L69-W73 VanDerWaalsContact O-CD1 3.3Å; L69-W73 PolarHBondContact O-N 3.12Å; M70-W73 PolarHBondContact O-N 3.45Å; M70-W73 VanDerWaalsContact O-N 3.14Å; W73-T77 VanDerWaalsContact O-CB 3.25Å; W73-T77 WeakPolarHBondContact O-CB 3.34Å; W73-T77 PolarHBondContact O-N 2.67Å; W73-T77 PolarHBondContact O-OG1 2.82Å
74E87.4Confident79.2Confident107 Ų107110.6 Ų110.650%0.552%0.522SS..Hα-helixtrans-59.5-45.3172.7-74.7169.9-164.800112.2M70 Y72 R78M70-E74 WeakPolarHBondContact O-CG 3.42Å; M70-E74 PolarHBondContact O-N 3.14Å; Y72-E74 PolarHBondContact O-N 3.37Å; E74-R78 WeakPolarHBondContact O-CB 3.23Å; E74-R78 PolarHBondContact O-N 3.44Å
75N84.3Confident79Confident82 Ų82110.1 Ų110.144%0.43953%0.525SS..Hα-helixtrans-68.2-43.2179-76.6-37.7000112.2K71 Y72 T77 R78 K79K71-N75 WeakPolarHBondContact O-CB 3.46Å; K71-N75 VanDerWaalsContact O-CG 3.26Å; K71-N75 PolarHBondContact O-N 3.02Å; K71-N75 PolarHBondContact O-ND2 2.98Å; Y72-N75 PolarHBondContact O-N 3.2Å; N75-T77 VanDerWaalsContact C-N 3.35Å; N75-R78 PolarHBondContact O-N 2.93Å; N75-K79 WeakPolarHBondContact O-CB 3.48Å; N75-K79 PolarHBondContact O-N 3.27Å
76E85.9Confident78Confident56 Ų56111 Ų11126%0.26254%0.535SS..Hα-helixtrans-69.1-34.9178.5-155.169.8-108.500111.1Y72 K79 L80Y72-E76 HydrophobicContact CE2-CB 4.41Å; Y72-E76 WeakPolarHBondContact CE2-OE2 3.5Å; Y72-E76 PolarHBondContact O-N 3.36Å; Y72-E76 PolarHBondContact OH-OE2 2.98Å; E76-K79 PolarHBondContact O-N 3.32Å; E76-K79 WeakPolarHBondContact OE1-CD 3.31Å; E76-K79 WeakPolarHBondContact OE1-CE 3.47Å; E76-K79 IonicContact OE1-NZ 3.58Å; E76-K79 PolarHBondContact OE1-NZ 3.5Å; E76-K79 IonicContact OE2-NZ 3.98Å; E76-L80 WeakPolarHBondContact O-CG 3.32Å; E76-L80 PolarHBondContact O-N 3.45Å
77T82.8Confident77Confident72 Ų72105.7 Ų105.744%0.44254%0.537SS..Hα-helixtrans-65-44.9172.1-56.20000111.7W73 N75 K79 L80 L81W73-T77 VanDerWaalsContact O-CB 3.25Å; W73-T77 WeakPolarHBondContact O-CB 3.34Å; W73-T77 PolarHBondContact O-N 2.67Å; W73-T77 PolarHBondContact O-OG1 2.82Å; N75-T77 VanDerWaalsContact C-N 3.35Å; T77-K79 VanDerWaalsContact C-N 3.34Å; T77-K79 PolarHBondContact O-N 3.16Å; T77-L80 PolarHBondContact O-N 2.67Å; T77-L81 HydrophobicContact CG2-CD1 4.48Å; T77-L81 WeakPolarHBondContact O-CG 3.43Å; T77-L81 PolarHBondContact O-N 3.3Å; T77-L81 VanDerWaalsContact O-N 3.09Å
78R78.8Confident75.2Confident141 Ų141100.8 Ų100.853%0.53253%0.528SS..Hα-helixtrans-60.7-43.8175.3-172.3-179.6-54.8178.55.9111.7E74 N75 L80 L81 E82E74-R78 WeakPolarHBondContact O-CB 3.23Å; E74-R78 PolarHBondContact O-N 3.44Å; N75-R78 PolarHBondContact O-N 2.93Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 3.11Å; R78-L81 WeakPolarHBondContact O-CB 3.2Å; R78-L81 PolarHBondContact O-N 3.1Å; R78-E82 WeakPolarHBondContact O-CG 3.43Å; R78-E82 PolarHBondContact O-N 3.11Å
79K82.2Confident73.2Confident104 Ų104103 Ų10345%0.45254%0.54SS..Hα-helixtrans-65.9-32.9177.5-179.6173.5157.1-139.30112.5N75 E76 T77 N83N75-K79 WeakPolarHBondContact O-CB 3.48Å; N75-K79 PolarHBondContact O-N 3.27Å; E76-K79 PolarHBondContact O-N 3.32Å; E76-K79 WeakPolarHBondContact OE1-CD 3.31Å; E76-K79 WeakPolarHBondContact OE1-CE 3.47Å; E76-K79 IonicContact OE1-NZ 3.58Å; E76-K79 PolarHBondContact OE1-NZ 3.5Å; E76-K79 IonicContact OE2-NZ 3.98Å; T77-K79 VanDerWaalsContact C-N 3.34Å; T77-K79 PolarHBondContact O-N 3.16Å; K79-N83 WeakPolarHBondContact O-CB 3.4Å; K79-N83 VanDerWaalsContact O-CG 3.27Å; K79-N83 PolarHBondContact O-N 3.25Å; K79-N83 PolarHBondContact O-ND2 3Å
80L76.8Confident71.4Confident112 Ų112105.9 Ų105.959%0.58656%0.563SS**Hα-helixtrans-64.7-45.7169.9-76.1165.7000111.6E76 T77 R78 N83 E84E76-L80 WeakPolarHBondContact O-CG 3.32Å; E76-L80 PolarHBondContact O-N 3.45Å; T77-L80 PolarHBondContact O-N 2.67Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 3.11Å; L80-N83 PolarHBondContact O-N 3.34Å; L80-E84 PolarHBondContact O-N 3.42Å
81L74.3Confident69.4Low93 Ų93110.2 Ų110.249%0.48758%0.579SS.*Hα-helixtrans-63.4-40.8175.7-68.4164.2000112.3T77 R78 N83 E84 I85T77-L81 HydrophobicContact CG2-CD1 4.48Å; T77-L81 WeakPolarHBondContact O-CG 3.43Å; T77-L81 PolarHBondContact O-N 3.3Å; T77-L81 VanDerWaalsContact O-N 3.09Å; R78-L81 WeakPolarHBondContact O-CB 3.2Å; R78-L81 PolarHBondContact O-N 3.1Å; L81-N83 PolarHBondContact O-N 2.78Å; L81-E84 PolarHBondContact O-N 3.44Å; L81-I85 VanDerWaalsContact O-CG1 3.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.37Å; L81-I85 PolarHBondContact O-N 2.86Å
82E72.8Confident66.9Low115 Ų115112.1 Ų112.154%0.53760%0.595SS.*Hα-helixtrans-62.6-39.6174.5-74.6170.5-178.400112R78 A86R78-E82 WeakPolarHBondContact O-CG 3.43Å; R78-E82 PolarHBondContact O-N 3.11Å; E82-A86 WeakPolarHBondContact O-CB 3.1Å; E82-A86 PolarHBondContact O-N 3.33Å
83N70.9Confident64.4Low87 Ų87114.3 Ų114.347%0.46561%0.609SS.*Hα-helixtrans-66.3-36.6174.2-74.9-51.3000112.7K79 L80 L81 A86 G87K79-N83 WeakPolarHBondContact O-CB 3.4Å; K79-N83 VanDerWaalsContact O-CG 3.27Å; K79-N83 PolarHBondContact O-N 3.25Å; K79-N83 PolarHBondContact O-ND2 3Å; L80-N83 PolarHBondContact O-N 3.34Å; L81-N83 PolarHBondContact O-N 2.78Å; N83-A86 PolarHBondContact O-N 2.82Å; N83-G87 PolarHBondContact O-N 2.86Å
84E67.4Low61.6Low153 Ų153111.6 Ų111.672%0.71562%0.615SS**Hα-helixtrans-67.2-44.2176.4-171.9168-154.800111.2L80 L81 A86 G87L80-E84 PolarHBondContact O-N 3.42Å; L81-E84 PolarHBondContact O-N 3.44Å; E84-A86 VanDerWaalsContact C-N 3.33Å; E84-A86 PolarHBondContact O-N 3.47Å; E84-G87 PolarHBondContact O-N 3.17Å
85I65.9Low59.3Low149 Ų149111.9 Ų111.976%0.76463%0.626SS**Hα-helixtrans-64.5-36.1174-66.6164.8000111.6L81 G87L81-I85 VanDerWaalsContact O-CG1 3.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.37Å; L81-I85 PolarHBondContact O-N 2.86Å; I85-G87 VanDerWaalsContact C-N 3.27Å; I85-G87 PolarHBondContact O-N 3.44Å
86A54.8Low56.6Low77 Ų77116.6 Ų116.664%0.63665%0.646SS**THydrogen-bonded Turntrans-77.8-3.3-179.300000114.8E82 N83 E84 G88E82-A86 WeakPolarHBondContact O-CB 3.1Å; E82-A86 PolarHBondContact O-N 3.33Å; N83-A86 PolarHBondContact O-N 2.82Å; E84-A86 VanDerWaalsContact C-N 3.33Å; E84-A86 PolarHBondContact O-N 3.47Å; A86-G88 PolarHBondContact O-N 3.5Å
87G53.6Low53.8Low70 Ų70120.7 Ų120.772%0.72267%0.674SS**THydrogen-bonded Turntrans65.319.4174.900000115.3N83 E84 I85N83-G87 PolarHBondContact O-N 2.86Å; E84-G87 PolarHBondContact O-N 3.17Å; I85-G87 VanDerWaalsContact C-N 3.27Å; I85-G87 PolarHBondContact O-N 3.44Å
88G42.4Very low51.3Low51 Ų51123.9 Ų123.953%0.52669%0.694SS.*  trans-91114-173.800000113.5A86A86-G88 PolarHBondContact O-N 3.5Å
89S38.3Very low48.8Very low108 Ų108123.8 Ų123.876%0.75571%0.709SS**PPolyproline II helixtrans-65127.4175.960.50000111.9K91S89-K91 PolarHBondContact O-N 3.39Å
90P42.8Very low46.3Very low130 Ų130123.7 Ų123.784%0.84472%0.721SS**PPolyproline II helixtrans-72.4120.6-172.327.5-34.6000112.4
91K35.6Very low44.1Very low183 Ų183125.2 Ų125.280%0.79674%0.735SS**PPolyproline II helixtrans-84.5119.5169.2-78.2-178.3177.3174.20110.4S89S89-K91 PolarHBondContact O-N 3.39Å
92L35.4Very low42.1Very low176 Ų176129.9 Ų129.992%0.92175%0.751SS**PPolyproline II helixtrans-52.9140.3166.1-137.976.2000110.4
93H34Very low39.9Very low169 Ų169132.5 Ų132.578%0.78277%0.768SS**  trans-130.7123.3168.4-88.638000109.6
94S28.4Very low38Very low108 Ų108134.5 Ų134.576%0.75578%0.783SS**  trans-78.4145.6161.152.30000109.6
95P39Very low36.2Very low113 Ų113136.9 Ų136.973%0.73479%0.791SS**  trans-72142.218030.9-35.4000111.6
96H27.7Very low34.3Very low182 Ų182138.8 Ų138.884%0.84379%0.794SS**  trans-173168.2142.6-93.1-45.2000111.4
97T26.5Very low32.9Very low141 Ų141145 Ų14587%0.86580%0.802SS**  trans60.5104.3174.951.50000118
98V29.6Very low31.7Very low140 Ų140151.2 Ų151.285%0.84881%0.812SS**  trans-71.2139.7160.5176.10000109.9
99T26Very low31Very low138 Ų138155 Ų15585%0.84782%0.821SS**  trans-157.8140.4145.4-76.30000109.7
100S30.1Very low30.5Very low102 Ų102156.4 Ų156.471%0.71383%0.825SS**  trans-89.5143-173.457.40000114.2
101V30.3Very low29.9Very low145 Ų145158.3 Ų158.388%0.87982%0.823SS**  trans-134.5137.5148.7-1740000108.8
102K32.5Very low29.5Very low190 Ų190160.9 Ų160.983%0.82683%0.829SS**  trans-85.3143177.6-60.3170.1-178.8174.20110
103L27Very low29.2Very low171 Ų171156.8 Ų156.890%0.89582%0.815SS**  trans-134112.5155.2-161.573.9000110.8
104V30.7Very low29Very low128 Ų128153 Ų15378%0.77681%0.813SS**  trans-108.3126.3168173.30000107.5
105K28.7Very low29Very low204 Ų204156.7 Ų156.789%0.88782%0.815SS**  trans-151.9131.6152.8-112.1169.7-174.9-179.20109.6
106K27.6Very low28.5Very low189 Ų189156.8 Ų156.882%0.82281%0.809SS**  trans-83.8152.9177-80.2-177.1171.7-177.40110.7
107Y25.4Very low28.6Very low206 Ų206156.2 Ų156.281%0.80881%0.806SS**  trans2.2133.3142.7-64.8-95.4000118
108Q28.8Very low28.7Very low201 Ų201153.6 Ų153.694%0.93979%0.794SS**  -124159.2115-77.8-163.6-32.200109.5
109N26.7Very low28.6Very low132 Ų132152.4 Ų152.471%0.70679%0.791SS**  trans-138134.5-174.2179.545.2000108.2
110T27Very low28.6Very low137 Ų137154.7 Ų154.784%0.8479%0.789SS**  trans-143.7137.4168.545.60000109.2
111E31.6Very low28.4Very low170 Ų170156 Ų15679%0.79479%0.793SS**  trans-87170.8-163-55.9151.7120.800113.2
112Y27.3Very low28.3Very low236 Ų236158 Ų15893%0.92579%0.792SS**  -158150119.3-112.9-76.3000111.9
113S27.7Very low28.1Very low90 Ų90155.7 Ų155.763%0.62979%0.789SS**  trans-50.7141.4-177.2-164.60000113.5
114A29.6Very low28.2Very low89 Ų89155.3 Ų155.374%0.73679%0.788SS**  cis76.5152.233.200000115.4
115K28.4Very low28.2Very low186 Ų186158 Ų15881%0.80979%0.792SS**  trans107.4137-175.1-67-174.8174.1-173.40114.1
116I29.1Very low28.1Very low116 Ų116156 Ų15660%0.59579%0.786SS**  cis-156.7145.83.5-128.6171.8000113.8
117E30.3Very low28.1Very low169 Ų169154.8 Ų154.879%0.7978%0.783SS**  trans46.5168.6150.9-69.3148.7-155.300122.3
118S29.4Very low28.4Very low87 Ų87152.4 Ų152.461%0.60878%0.784SS**  cis-178.4154.7-31.2-171.90000105.5
119C26Very low28.3Very low115 Ų115152.5 Ų152.578%0.77779%0.785SS**  cis-150.7158.539.2-70.20000109
120K26.8Very low28.2Very low186 Ų186151.3 Ų151.381%0.80979%0.785SS**  cis90.397.833.5-79.9-162.5172.8-167.90117.1
121T24.7Very low28.3Very low130 Ų130151.9 Ų151.980%0.79878%0.783SS**  trans-153101.814043.90000105
122Q29.3Very low28Very low185 Ų185149.4 Ų149.486%0.86478%0.779SS**  69.310382.4-76.5-164.3-90.100113.8
123D28Very low28Very low142 Ų142146.7 Ų146.776%0.75978%0.775SS**  trans-83.7161.9162.5-43.2-89000110.3
124D29.4Very low28Very low164 Ų164151.1 Ų151.188%0.87779%0.786SS**  -177.3162118.2-88.4-22.2000111.1
125E29.8Very low27.8Very low184 Ų184151.4 Ų151.486%0.8678%0.783SS**  trans-83.2159.1-160-54165.4144.800114.5
126Q26.8Very low27.7Very low161 Ų161147.2 Ų147.275%0.75278%0.776SS**  -171.1125.9124.3-106.3-177.5-37.600115.9
127E28.1Very low27.6Very low164 Ų164150.2 Ų150.277%0.76679%0.788SS**  trans58.6150.4135.1-70.9165.2-130.500123.8
128D30.7Very low27.6Very low156 Ų156150.9 Ų150.983%0.83479%0.791SS**  trans-65.9154.1-170.3-53.7-81.8000116.7
129E28.4Very low27.6Very low203 Ų203154.3 Ų154.395%0.94980%0.797SS**  -159.2-170.9126.5-125.8-178-164.100113.2
130C24.9Very low27.8Very low107 Ų107156.3 Ų156.372%0.72380%0.795SS**  trans-128.1157.9-143.9-142.10000116.4
131L28.6Very low28Very low150 Ų150153.6 Ų153.679%0.78579%0.786SS**  trans75.1154.6151.4-76.4166.4000123.5
132T24.2Very low28.2Very low117 Ų117154.3 Ų154.372%0.71878%0.778SS**  trans70.7102.7152.338.90000122.5
133E28.1Very low28.1Very low179 Ų179152.7 Ų152.784%0.83678%0.775SS**  55.1163.3120.6-64.9-156.3-149.700123.6
134E26.6Very low28.1Very low184 Ų184153.1 Ų153.186%0.8678%0.777SS**  trans67.2159174.7-63.7-164.3-164.200117.1
135S25.6Very low28.1Very low95 Ų95154 Ų15466%0.66478%0.776SS**  cis-169.7169.3-34.2-172.10000108.2
136S26.1Very low28.1Very low97 Ų97149.4 Ų149.468%0.67876%0.764SS**  trans62130.7174.629.20000115.9
137E28.5Very low28.5Very low180 Ų180150.3 Ų150.384%0.84177%0.768SS**  cis83.914749.6-69.1-175.6153.500114.1
138E28.8Very low28.5Very low183 Ų183152.5 Ų152.586%0.85578%0.775SS**  trans71.2151.6173.6-58.2-169.8177.200118.4
139E30.5Very low28.4Very low158 Ų158152 Ų15274%0.73877%0.768SS**  cis-171.6155.1-46.2-110.7-69.2-157.500107.5
140E30Very low28.4Very low157 Ų157148.1 Ų148.173%0.73476%0.763SS**  trans55.8174.4162.3-67.2-162.6154.500117.9
141E30Very low28.6Very low129 Ų129150.3 Ų150.360%0.60376%0.761SS**  cis-140.1-166.5-10.8-139.2-166.2-176.300112.6
142K30.3Very low28.4Very low145 Ų145153.4 Ų153.463%0.6376%0.762SS**  trans-78.8171.7-169-43.3117.6-176.5170.50114.1
143N26Very low28.6Very low151 Ų151151.6 Ų151.681%0.80775%0.754SS**  -171.9159.2104.2-93.1-45000114.7
144D29.2Very low28.6Very low151 Ų151150.1 Ų150.181%0.80775%0.747SS**  trans-78.5162.8171.7-80.6-71.8000112.4
145E29.6Very low28.5Very low184 Ų184148.2 Ų148.286%0.8674%0.743SS**  -173.8146.4106.6-101.6-168.1168.100117.3
146S30Very low28.6Very low86 Ų86148.4 Ų148.460%0.60174%0.744SS**  trans-17.7140.8168.959.60000123.8
147E33.5Very low28.8Very low180 Ų180152.7 Ų152.784%0.84175%0.75SS**  43.7140.2123.9-53.7-169.6157.700123.6
148K29.8Very low28.7Very low210 Ų210147.3 Ų147.391%0.91374%0.744SS**  -159.9146.7118.2-112.2155.4-168158.50114.9
149E27.9Very low28.7Very low145 Ų145145.9 Ų145.968%0.67874%0.737SS**  trans-76.8159.1169.3-58.9-164.4124.900112.7K151E149-K151 WeakPolarHBondContact OE1-CE 3.38Å; E149-K151 IonicContact OE1-NZ 3.2Å; E149-K151 PolarHBondContact OE1-NZ 2.71Å; E149-K151 IonicContact OE2-NZ 3.27Å; E149-K151 PolarHBondContact OE2-NZ 2.95Å
150S27.5Very low28.6Very low122 Ų122145.3 Ų145.385%0.85374%0.739SS**  -153.4164120.553.40000110.7
151K28.8Very low28.6Very low154 Ų154146.6 Ų146.667%0.6774%0.744SS**  trans-124.9179.3-169.3-61-177.6173.690.10110.9E149E149-K151 WeakPolarHBondContact OE1-CE 3.38Å; E149-K151 IonicContact OE1-NZ 3.2Å; E149-K151 PolarHBondContact OE1-NZ 2.71Å; E149-K151 IonicContact OE2-NZ 3.27Å; E149-K151 PolarHBondContact OE2-NZ 2.95Å
152R25.9Very low28.5Very low215 Ų215147 Ų14781%0.81175%0.751SS**  trans96143.6140.6-159176.6-177.5-155.3-10.4117.6E154R152-E154 IonicContact CZ-OE1 3.52Å; R152-E154 IonicContact NE-OE1 2.82Å; R152-E154 IonicContact NH2-OE1 2.6Å; R152-E154 PolarHBondContact NH2-OE1 3.41Å; R152-E154 VanDerWaalsContact NH2-OE1 3.09Å
153S26.8Very low28.5Very low78 Ų78144.4 Ų144.455%0.54576%0.756SS.*  cis-169.1-176.5-3954.40000110.1
154E28.3Very low28.8Very low148 Ų148145.7 Ų145.769%0.69276%0.758SS**  trans79.8147.9159.5-67.1158.6-125.500118R152R152-E154 IonicContact CZ-OE1 3.52Å; R152-E154 IonicContact NE-OE1 2.82Å; R152-E154 IonicContact NH2-OE1 2.6Å; R152-E154 PolarHBondContact NH2-OE1 3.41Å; R152-E154 VanDerWaalsContact NH2-OE1 3.09Å
155N25.9Very low28.7Very low145 Ų145143.4 Ų143.478%0.77575%0.749SS**  cis-168.7178.4-23.2-166.215.5000111.5
156S27.7Very low28.8Very low99 Ų99141.8 Ų141.869%0.69275%0.746SS**  trans78.1139.6169.375.60000116.5
157K28.8Very low28.8Very low186 Ų186146.3 Ų146.381%0.80976%0.758SS**  cis68.9130.529.3-63.3-164.2168.1-153.40114.4
158G26.6Very low28.7Very low68 Ų68143 Ų14370%0.70175%0.746SS**  cis-165.1-1554.400000108.7
159E30.2Very low28.9Very low153 Ų153140.3 Ų140.372%0.71574%0.735SS**  cis-169.7178.9-16.7-97.9140.3-135.400106.5
160D28.2Very low29.1Very low145 Ų145140.9 Ų140.978%0.77574%0.737SS**  trans-77.3158.6-152.7-45.7-94.1000121.4
161H30.2Very low29.2Very low184 Ų184141.1 Ų141.185%0.85273%0.729SS**  168.3178.7122.3-98.1-61.7000117.7
162D27.5Very low29.2Very low139 Ų139139.3 Ų139.374%0.74373%0.727SS**  trans-105.5175.9-154.7-47.7-100.9000119.3
163A29.6Very low29.4Very low90 Ų90135.3 Ų135.374%0.74473%0.725SS**  trans106.5113.9140.200000122.8
164E31.8Very low29.6Very low178 Ų178136 Ų13683%0.83274%0.736SS**  trans49164.4142-51.1-162.2172.600121.8
165T27.4Very low29.6Very low103 Ų103138.4 Ų138.463%0.63274%0.744SS**  cis-156.8159.115.9-22.90000112.1
166D31.8Very low30.2Very low149 Ų149137 Ų13780%0.79774%0.743SS**  trans55.7155.4155.6-67.1-29.4000121.3
167E30.7Very low30.3Very low181 Ų181140.8 Ų140.885%0.84675%0.75SS**  cis-138.1126.628.4-78.7-174.5170.900116.5
168D31.7Very low30.8Very low112 Ų112136.8 Ų136.860%0.59974%0.743SS**  74.9142.5117.5-132-6.5000127.1
169K32.7Very low30.8Very low153 Ų153140.7 Ų140.767%0.66575%0.747SS**  trans66.7110.1163.5-69.5165.9-175.987.80121
170Q33Very low30.7Very low157 Ų157143.4 Ų143.473%0.73475%0.751SS**  77142.470.3-72.6173.4-4.500114.4
171D30Very low30.6Very low126 Ų126142.2 Ų142.267%0.67474%0.744SS**  cis-170.2174.7-5.1-105.69.1000107.2
172N29Very low30.5Very low117 Ų117138.8 Ų138.863%0.62674%0.741SS**  cis-159152.3-2.5-112.8-37.7000107.7
173V29.7Very low30.7Very low130 Ų130138.2 Ų138.279%0.78874%0.742SS**  57.7128.781.9179.80000113.9
174A30.5Very low30.6Very low93 Ų93140.6 Ų140.677%0.76974%0.742SS**  cis-157.9-174.91000000115.6
175K29.6Very low30.5Very low198 Ų198136.2 Ų136.286%0.86174%0.737SS**  trans-63.8176.2165.1-111.1-175.4170.1179.40113.3
176P38Very low30.6Very low116 Ų116137.2 Ų137.275%0.75374%0.742SS**  cis-140.6-169.915.141.2-19.4000118.1
177E29.1Very low30.5Very low178 Ų178140.6 Ų140.683%0.83274%0.744SS**  trans-64.6169.9164.7-86.5-180-13500114.2
178P39.6Very low31Very low102 Ų102137.6 Ų137.666%0.66274%0.74SS**  cis-155.1178.837.345.4-23.8000121.3
179L26.5Very low31Very low151 Ų151137.1 Ų137.179%0.79174%0.742SS**  trans52.7125.9146.9-71.8161.9000123.2
180R27.6Very low31.1Very low209 Ų209138.2 Ų138.279%0.78975%0.754SS**  160.3135.5112.4-86.3-174.1-169.2-96.30.3117.5
181D26.9Very low31Very low120 Ų120138.2 Ų138.264%0.64276%0.758SS**  trans56.7131.2136.5-52.4-30.6000126
182S28.1Very low31Very low112 Ų112143 Ų14378%0.78377%0.767SS**  trans75.8155.7146.1-66.90000120.5
183V30.8Very low31.3Very low128 Ų128142.6 Ų142.678%0.77677%0.77SS**  cis-160.8-178.3-25-80.30000106.9
184D29.1Very low31.5Very low139 Ų139145.6 Ų145.674%0.74378%0.776SS**  cis-155-137.94.5-158.3-102.4000111.2
185A29.3Very low31.5Very low87 Ų87152 Ų15272%0.71978%0.78SS**  trans8550.3153.800000121.1
186V30Very low31.6Very low123 Ų123147 Ų14775%0.74578%0.776SS**  trans31.8105.7130.5-168.60000120.8
187R28.5Very low31.8Very low220 Ų220148.3 Ų148.383%0.8377%0.772SS**  34.1155.7116-86.4-175.2174.6-170.20.1121.9
188P41.7Very low32.3Very low118 Ų118145.2 Ų145.277%0.76677%0.767SS**  cis-145.3169.436.540.9-19.9000120.9
189T30.5Very low32.4Very low102 Ų102148.7 Ų148.763%0.62678%0.776SS**  trans-30149.8171.152.50000122.9
190L34.8Very low33Very low176 Ų176152.2 Ų152.292%0.92178%0.779SS**  -135.3157.5123.6-88.8-179.1000111.3
191L32.4Very low33.7Very low157 Ų157150.1 Ų150.182%0.82278%0.783SS**  trans-97.5167178.3-62.1162.7000109.4
192R28.9Very low34.7Very low228 Ų228149.3 Ų149.386%0.8678%0.782SS**  cis-171.9-17436.4-154.3-176.3-180176.60.4109
193P36Very low35.8Very low108 Ų108149.1 Ų149.170%0.70178%0.779SS**  -96.9163.6-92.439-25.8000115.1
194Q33.7Very low37Very low193 Ų193148.4 Ų148.490%0.90278%0.776SS**  trans-76147.9160.5-71.9-179.4-8.800111.3A196Q194-A196 PolarHBondContact O-N 2.9Å
195R30.7Very low38.1Very low226 Ų226147.1 Ų147.185%0.85378%0.776SS**  trans-83107.4175.4176.9177.4175.1153.5-1.8109.5
196A32.6Very low39.2Very low93 Ų93148.1 Ų148.177%0.76978%0.775SS**  trans-74.9125.317500000111Q194Q194-A196 PolarHBondContact O-N 2.9Å
197E41.6Very low40.3Very low145 Ų145147.9 Ų147.968%0.67878%0.776SS**  trans-69.2135.2163.7-76.1-64.5122.100109.4M199E197-M199 PolarHBondContact O-N 2.74Å
198P38.5Very low41.5Very low112 Ų112143.1 Ų143.173%0.72777%0.771SS**  trans-72.9100.9-177.528.9-33.6000110.6R200P198-R200 PolarHBondContact O-N 3.13Å
199M42.1Very low41.4Very low175 Ų175144.5 Ų144.586%0.86277%0.772SS**  trans-56.9109173.9-65.5-172.579.200110E197 L201E197-M199 PolarHBondContact O-N 2.74Å; M199-L201 VanDerWaalsContact C-N 3.34Å; M199-L201 PolarHBondContact O-N 2.86Å
200R40.3Very low42.3Very low226 Ų226147.9 Ų147.985%0.85379%0.785SS**  trans-72.888.5-179.2-170.9-176.1-172.8-164.53.3109.6P198 T202P198-R200 PolarHBondContact O-N 3.13Å; R200-T202 PolarHBondContact O-N 3.14Å
201L42.3Very low43.1Very low164 Ų164146.8 Ų146.886%0.85978%0.78SS**  trans-63.382172.1-70.4171.2000110.6M199M199-L201 VanDerWaalsContact C-N 3.34Å; M199-L201 PolarHBondContact O-N 2.86Å
202T47.7Very low43.9Very low103 Ų103144.6 Ų144.663%0.63278%0.778SS**PPolyproline II helixtrans-64.1128.415349.30000107.1R200R200-T202 PolarHBondContact O-N 3.14Å
203P51.6Low45.4Very low109 Ų109136 Ų13671%0.70876%0.761SS**PPolyproline II helixtrans-57.3150.1169.627.1-34.2000108.9
204P55.4Low47.3Very low112 Ų112132.6 Ų132.673%0.72774%0.737SS**PPolyproline II helixtrans-54.6147.8170.826.3-34.4000109.1
205P52.2Low49.5Very low113 Ų113129.3 Ų129.373%0.73473%0.732SS**PPolyproline II helixtrans-53.9144.6169.926.1-33.9000108.6
206P52.5Low52.1Low108 Ų108120.6 Ų120.670%0.70170%0.704SS**PPolyproline II helixtrans-53.8147.5170.926.4-34.4000108.7V208P206-V208 PolarHBondContact O-N 2.81Å; P206-V208 VanDerWaalsContact O-N 3.13Å
207P52.5Low54.8Low117 Ų117120.9 Ų120.976%0.7670%0.696SS**PPolyproline II helixtrans-51.8127.5175.423.9-33.7000108D209P207-D209 PolarHBondContact O-N 2.98Å; P207-D209 VanDerWaalsContact O-N 3.13Å
208V53.5Low57.2Low121 Ų121115.2 Ų115.273%0.73367%0.671SS**PPolyproline II helixtrans-61.1120177.8-78.90000108P206 L210P206-V208 PolarHBondContact O-N 2.81Å; P206-V208 VanDerWaalsContact O-N 3.13Å; V208-L210 PolarHBondContact O-N 3.23Å
209D40.9Very low59.7Low146 Ų146115.4 Ų115.478%0.78167%0.666SS**  trans-60.9101.9170.5-72-52.4000107.4P207 N211 S212P207-D209 PolarHBondContact O-N 2.98Å; P207-D209 VanDerWaalsContact O-N 3.13Å; D209-N211 PolarHBondContact O-N 3.4Å; D209-S212 PolarHBondContact O-N 2.92Å
210L48Very low62.1Low174 Ų174111 Ų11191%0.91165%0.646SS**THydrogen-bonded Turntrans-61.58.2-178.9-78.6154.9000113.8V208V208-L210 PolarHBondContact O-N 3.23Å
211N51.4Low64.6Low153 Ų153100.6 Ų100.682%0.81861%0.609SS**THydrogen-bonded Turntrans-117.921.3-176.8-147.7109.2000112.5D209 G213D209-N211 PolarHBondContact O-N 3.4Å; N211-G213 PolarHBondContact O-N 2.93Å
212S49.5Very low67.1Low111 Ų11193.4 Ų93.478%0.77657%0.571SS**  trans-79.514.9164-171.40000113.1D209D209-S212 PolarHBondContact O-N 2.92Å
213G61.2Low69.4Low48 Ų4894.1 Ų94.150%0.49557%0.567SS.*  trans-64.8149.117900000113.1N211N211-G213 PolarHBondContact O-N 2.93Å
214N76.1Confident71.5Confident36 Ų3692.8 Ų92.819%0.19355%0.548CS..  trans-59.2130.9167.2170.9-3.6000109.8T216 N236 N238 I240N214-T216 PolarHBondContact O-N 3.42Å; N214-T216 VanDerWaalsContact O-N 3.12Å; N214-T216 WeakPolarHBondContact OD1-CB 3.26Å; N214-T216 PolarHBondContact OD1-N 3.5Å; N214-T216 VanDerWaalsContact OD1-N 3.07Å; N214-T216 PolarHBondContact OD1-OG1 2.89Å; N214-N236 PolarHBondContact ND2-O 2.69Å; N214-N238 WeakPolarHBondContact CB-O 3.4Å; N214-N238 PolarHBondContact ND2-N 3.33Å; N214-N238 PolarHBondContact ND2-O 2.91Å; N214-N238 VanDerWaalsContact ND2-O 3.13Å; N214-I240 HydrophobicContact CB-CD1 4.45Å; N214-I240 HydrophobicContact CB-CG1 4.03Å
215P78.3Confident73.4Confident123 Ų12387.5 Ų87.580%0.79951%0.514SS*.SBendtrans-71.7-1.8-175.130.5-37.7000114.7V217P215-V217 PolarHBondContact O-N 2.97Å
216T85.9Confident75.4Confident44 Ų4487.4 Ų87.427%0.2751%0.506SS..  trans-68.7111179.1-57.50000111.1N214 V218 A221 N236 L237N214-T216 PolarHBondContact O-N 3.42Å; N214-T216 VanDerWaalsContact O-N 3.12Å; N214-T216 WeakPolarHBondContact OD1-CB 3.26Å; N214-T216 PolarHBondContact OD1-N 3.5Å; N214-T216 VanDerWaalsContact OD1-N 3.07Å; N214-T216 PolarHBondContact OD1-OG1 2.89Å; T216-V218 PolarHBondContact O-N 2.92Å; T216-A221 HydrophobicContact CG2-CB 3.77Å; T216-N236 PolarHBondContact OG1-O 2.76Å; T216-L237 HydrophobicContact CG2-CD2 4.27Å
217V89.9Confident77.5Confident98 Ų9887.8 Ų87.859%0.59450%0.503SS*.  trans-69.4117.3169.2179.50000108.6P215 D219 D220 A221P215-V217 PolarHBondContact O-N 2.97Å; V217-D219 PolarHBondContact O-N 3.4Å; V217-D220 HydrophobicContact CB-CB 4.29Å; V217-D220 HydrophobicContact CG1-CB 4.29Å; V217-D220 PolarHBondContact O-N 3.42Å; V217-A221 WeakPolarHBondContact O-CB 3.35Å; V217-A221 PolarHBondContact O-N 3.17Å; V217-A221 VanDerWaalsContact O-N 3.08Å
218V91.4Very high79.5Confident27 Ų2784.5 Ų84.516%0.16448%0.479CS..Hα-helixtrans-61.6-43.6-169.2-175.50000112.2T216 A221 L222 I240 I243 T247 F251T216-V218 PolarHBondContact O-N 2.92Å; V218-A221 PolarHBondContact O-N 3Å; V218-L222 WeakPolarHBondContact O-CB 3.12Å; V218-L222 PolarHBondContact O-N 3.45Å; V218-I240 HydrophobicContact CG2-CD1 3.91Å; V218-I240 HydrophobicContact CG2-CG2 4.07Å; V218-I243 HydrophobicContact CG1-CD1 3.7Å; V218-I243 HydrophobicContact CG1-CG1 4.23Å; V218-I243 HydrophobicContact CG2-CD1 4.43Å; V218-T247 HydrophobicContact CG1-CG2 3.74Å; V218-F251 HydrophobicContact CG1-CE2 3.7Å; V218-F251 HydrophobicContact CG1-CZ 4.18Å; V218-F251 WeakPolarHBondContact O-CZ 3.17Å
219D91.3Very high81.5Confident115 Ų11580.4 Ų80.462%0.61545%0.453SS*.Hα-helixtrans-73.2-37.4-176.1-59.6-59.7000113.3V217 L222 Q223V217-D219 PolarHBondContact O-N 3.4Å; D219-L222 PolarHBondContact O-N 3.47Å; D219-Q223 WeakPolarHBondContact O-CB 3.4Å; D219-Q223 PolarHBondContact O-N 3.34Å
220D92.7Very high84Confident82 Ų8277.3 Ų77.344%0.43944%0.442SS..Hα-helixtrans-63.7-45.8172.3176.463.4000110.6V217 L222 Q223 R224V217-D220 HydrophobicContact CB-CB 4.29Å; V217-D220 HydrophobicContact CG1-CB 4.29Å; V217-D220 PolarHBondContact O-N 3.42Å; D220-L222 VanDerWaalsContact C-N 3.32Å; D220-L222 PolarHBondContact O-N 3.33Å; D220-Q223 PolarHBondContact O-N 2.85Å; D220-R224 WeakPolarHBondContact O-CB 3.48Å; D220-R224 VanDerWaalsContact O-CG 3.31Å; D220-R224 WeakPolarHBondContact O-CG 3.39Å; D220-R224 PolarHBondContact O-N 3.18Å
221A93.3Very high86.2Confident9 Ų976.3 Ų76.37%0.07443%0.433CS..Hα-helixtrans-59-43.317500000111.7T216 V217 V218 R224 V225 F251T216-A221 HydrophobicContact CG2-CB 3.77Å; V217-A221 WeakPolarHBondContact O-CB 3.35Å; V217-A221 PolarHBondContact O-N 3.17Å; V217-A221 VanDerWaalsContact O-N 3.08Å; V218-A221 PolarHBondContact O-N 3Å; A221-R224 PolarHBondContact O-N 3.22Å; A221-V225 VanDerWaalsContact O-CG2 3.3Å; A221-V225 WeakPolarHBondContact O-CG2 3.13Å; A221-V225 PolarHBondContact O-N 3.28Å; A221-F251 HydrophobicContact CB-CE1 4.35Å; A221-F251 HydrophobicContact CB-CZ 4.19Å
222L95Very high88.3Confident13 Ų1370 Ų707%0.06840%0.399CS..Hα-helixtrans-64.4-43.6176.5-177.458.4000111.8V218 D219 D220 R224 V225 L226 T247 R250 F251 A254V218-L222 WeakPolarHBondContact O-CB 3.12Å; V218-L222 PolarHBondContact O-N 3.45Å; D219-L222 PolarHBondContact O-N 3.47Å; D220-L222 VanDerWaalsContact C-N 3.32Å; D220-L222 PolarHBondContact O-N 3.33Å; L222-R224 PolarHBondContact O-N 2.75Å; L222-V225 PolarHBondContact O-N 2.96Å; L222-L226 HydrophobicContact CD1-CD1 4.35Å; L222-L226 HydrophobicContact CD1-CG 4.46Å; L222-L226 HydrophobicContact CG-CD1 4.04Å; L222-L226 WeakPolarHBondContact O-CB 3.39Å; L222-L226 WeakPolarHBondContact O-CG 3.44Å; L222-L226 PolarHBondContact O-N 3.1Å; L222-T247 HydrophobicContact CD2-CG2 4.49Å; L222-R250 HydrophobicContact CD1-CB 4.39Å; L222-R250 HydrophobicContact CD2-CB 4.24Å; L222-F251 HydrophobicContact CB-CE1 3.91Å; L222-F251 HydrophobicContact CB-CE2 4.08Å; L222-F251 HydrophobicContact CB-CZ 3.63Å; L222-F251 HydrophobicContact CD1-CD1 3.85Å; L222-F251 HydrophobicContact CD1-CD2 4.18Å; L222-F251 HydrophobicContact CD1-CE1 4.04Å; L222-F251 HydrophobicContact CD1-CE2 4.35Å; L222-F251 HydrophobicContact CD1-CG 3.92Å; L222-F251 HydrophobicContact CD1-CZ 4.29Å; L222-F251 HydrophobicContact CG-CZ 4.49Å; L222-A254 HydrophobicContact CD1-CB 4.31Å
223Q95.1Very high90.5Very high118 Ų11868.6 Ų68.655%0.55139%0.386SS*.Hα-helixtrans-64.6-39.1178.4-171.6171.54.300112D219 D220 L226 N227D219-Q223 WeakPolarHBondContact O-CB 3.4Å; D219-Q223 PolarHBondContact O-N 3.34Å; D220-Q223 PolarHBondContact O-N 2.85Å; Q223-L226 PolarHBondContact O-N 3.45Å; Q223-N227 WeakPolarHBondContact O-CB 3.27Å; Q223-N227 PolarHBondContact O-N 2.84Å; Q223-N227 PolarHBondContact O-ND2 3.46Å
224R94.9Very high92.1Very high80 Ų8070.5 Ų70.530%0.30238%0.382SS..Hα-helixtrans-69.3-35.4175.5-67.9177.469173.85.8112.8D220 A221 L222 D228 D229 L232D220-R224 WeakPolarHBondContact O-CB 3.48Å; D220-R224 VanDerWaalsContact O-CG 3.31Å; D220-R224 WeakPolarHBondContact O-CG 3.39Å; D220-R224 PolarHBondContact O-N 3.18Å; A221-R224 PolarHBondContact O-N 3.22Å; L222-R224 PolarHBondContact O-N 2.75Å; R224-D228 PolarHBondContact O-N 2.99Å; R224-D229 HydrophobicContact CB-CB 4.18Å; R224-D229 IonicContact CZ-OD2 3.19Å; R224-D229 IonicContact NE-OD2 2.65Å; R224-D229 PolarHBondContact NE-OD2 3.21Å; R224-D229 IonicContact NH2-OD2 4Å; R224-D229 PolarHBondContact NH2-OD2 3.03Å; R224-D229 WeakPolarHBondContact O-CB 3.47Å; R224-D229 PolarHBondContact O-N 3.22Å; R224-D229 VanDerWaalsContact O-N 3.1Å; R224-L232 HydrophobicContact CB-CD2 3.78Å
225V95.6Very high93Very high2 Ų268.9 Ų68.91%0.01237%0.374CS..Hα-helixtrans-64.4-45.1170.6172.70000111.3A221 L222 N227 D228 L232 V235 F251 A254 L255 N258 V261A221-V225 VanDerWaalsContact O-CG2 3.3Å; A221-V225 WeakPolarHBondContact O-CG2 3.13Å; A221-V225 PolarHBondContact O-N 3.28Å; L222-V225 PolarHBondContact O-N 2.96Å; V225-N227 VanDerWaalsContact C-N 3.28Å; V225-N227 PolarHBondContact O-N 3.35Å; V225-D228 PolarHBondContact O-N 3.02Å; V225-D228 VanDerWaalsContact O-N 3.14Å; V225-L232 HydrophobicContact CB-CD2 4.49Å; V225-L232 HydrophobicContact CG2-CD2 3.57Å; V225-V235 HydrophobicContact CG2-CG2 3.58Å; V225-F251 HydrophobicContact CG2-CD1 4.43Å; V225-F251 HydrophobicContact CG2-CE1 4.31Å; V225-A254 HydrophobicContact CG1-CB 3.68Å; V225-L255 HydrophobicContact CG1-CD2 3.66Å; V225-L255 HydrophobicContact CG1-CG 3.83Å; V225-L255 HydrophobicContact CG2-CD2 4.36Å; V225-N258 PolarHBondContact O-ND2 3.21Å; V225-N258 VanDerWaalsContact O-ND2 3.08Å; V225-V261 HydrophobicContact CG2-CG2 4.44Å
226L95.4Very high93.8Very high110 Ų11065.1 Ų65.158%0.57635%0.347SS*.Hα-helixtrans-62.8-32.3178.7-77.8165.9000113.1L222 Q223 D228 A254L222-L226 HydrophobicContact CD1-CD1 4.35Å; L222-L226 HydrophobicContact CD1-CG 4.46Å; L222-L226 HydrophobicContact CG-CD1 4.04Å; L222-L226 WeakPolarHBondContact O-CB 3.39Å; L222-L226 WeakPolarHBondContact O-CG 3.44Å; L222-L226 PolarHBondContact O-N 3.1Å; Q223-L226 PolarHBondContact O-N 3.45Å; L226-D228 VanDerWaalsContact C-N 3.28Å; L226-D228 PolarHBondContact O-N 3.23Å; L226-A254 HydrophobicContact CD2-CB 3.51Å; L226-A254 HydrophobicContact CG-CB 3.82Å
227N95.5Very high94.2Very high117 Ų11763 Ų6363%0.62633%0.334SS*.THydrogen-bonded Turntrans-82.40.8177-68.9-22.3000114Q223 V225 D229Q223-N227 WeakPolarHBondContact O-CB 3.27Å; Q223-N227 PolarHBondContact O-N 2.84Å; Q223-N227 PolarHBondContact O-ND2 3.46Å; V225-N227 VanDerWaalsContact C-N 3.28Å; V225-N227 PolarHBondContact O-N 3.35Å; N227-D229 PolarHBondContact O-N 3.25Å
228D94.3Very high94.4Very high48 Ų4859.7 Ų59.726%0.25731%0.313SS..THydrogen-bonded Turntrans46.751.9-169.5-157.225.4000113.4R224 V225 L226 S230 N258 T259 H260R224-D228 PolarHBondContact O-N 2.99Å; V225-D228 PolarHBondContact O-N 3.02Å; V225-D228 VanDerWaalsContact O-N 3.14Å; L226-D228 VanDerWaalsContact C-N 3.28Å; L226-D228 PolarHBondContact O-N 3.23Å; D228-S230 PolarHBondContact O-N 2.85Å; D228-N258 WeakPolarHBondContact OD1-CA 3.49Å; D228-N258 PolarHBondContact OD1-ND2 3.19Å; D228-N258 PolarHBondContact OD1-OD1 3.37Å; D228-T259 PolarHBondContact OD1-N 3.01Å; D228-T259 WeakPolarHBondContact OD2-CB 3.28Å; D228-T259 WeakPolarHBondContact OD2-CG2 3.37Å; D228-T259 PolarHBondContact OD2-N 3.47Å; D228-T259 VanDerWaalsContact OD2-N 3.16Å; D228-T259 PolarHBondContact OD2-OG1 2.69Å; D228-H260 PolarHBondContact O-CD2 3.1Å; D228-H260 VanDerWaalsContact O-CD2 3.32Å; D228-H260 IonicContact OD1-CD2 3.5Å; D228-H260 PolarHBondContact OD1-CD2 3.1Å; D228-H260 PolarHBondContact OD1-N 3.11Å; D228-H260 IonicContact OD2-CD2 3.74Å
229D94.9Very high94.5Very high35 Ų3562.6 Ų62.619%0.18733%0.327CS..  trans-61.7117.7-178.5177.65.9000112.7R224 N227 E231 L232R224-D229 HydrophobicContact CB-CB 4.18Å; R224-D229 IonicContact CZ-OD2 3.19Å; R224-D229 IonicContact NE-OD2 2.65Å; R224-D229 PolarHBondContact NE-OD2 3.21Å; R224-D229 IonicContact NH2-OD2 4Å; R224-D229 PolarHBondContact NH2-OD2 3.03Å; R224-D229 WeakPolarHBondContact O-CB 3.47Å; R224-D229 PolarHBondContact O-N 3.22Å; R224-D229 VanDerWaalsContact O-N 3.1Å; N227-D229 PolarHBondContact O-N 3.25Å; D229-E231 PolarHBondContact O-N 2.74Å; D229-E231 PolarHBondContact OD1-N 2.61Å; D229-L232 HydrophobicContact CB-CB 4.1Å; D229-L232 WeakPolarHBondContact O-CB 3.46Å; D229-L232 PolarHBondContact O-N 2.89Å
230S94.3Very high94.5Very high81 Ų8158.2 Ų58.257%0.56630%0.304SS*.THydrogen-bonded Turntrans-61.8-20.4-179.868.60000115.9D228D228-S230 PolarHBondContact O-N 2.85Å
231E94.6Very high93.9Very high152 Ų15258.2 Ų58.271%0.7130%0.304SS*.THydrogen-bonded Turntrans-83.2-21174-61.6-164.6159.700112.7D229 T233D229-E231 PolarHBondContact O-N 2.74Å; D229-E231 PolarHBondContact OD1-N 2.61Å; E231-T233 PolarHBondContact O-N 3.2Å
232L94.5Very high93.4Very high21 Ų2165.4 Ų65.411%0.1134%0.341CS..  trans-82.981.8-172.5-171.264.1000112R224 V225 D229 E234 V235 V261R224-L232 HydrophobicContact CB-CD2 3.78Å; V225-L232 HydrophobicContact CB-CD2 4.49Å; V225-L232 HydrophobicContact CG2-CD2 3.57Å; D229-L232 HydrophobicContact CB-CB 4.1Å; D229-L232 WeakPolarHBondContact O-CB 3.46Å; D229-L232 PolarHBondContact O-N 2.89Å; L232-E234 WeakPolarHBondContact CD1-O 3.28Å; L232-V235 HydrophobicContact CD2-CG2 4.05Å; L232-V235 HydrophobicContact CG-CG2 4.19Å; L232-V261 HydrophobicContact CG-CG2 4.35Å; L232-V261 VanDerWaalsContact O-CG2 3.26Å; L232-V261 WeakPolarHBondContact O-CG2 3.43Å
233T95.8Very high93.2Very high82 Ų8265.7 Ų65.750%0.50334%0.342SS..  trans-87.4-21.2-179.256.30000114.8E231 R262 I263E231-T233 PolarHBondContact O-N 3.2Å; T233-R262 PolarHBondContact O-N 3.11Å; T233-I263 PolarHBondContact O-N 3.11Å
234E95.8Very high93.1Very high87 Ų8763.6 Ų63.641%0.40734%0.337SS..EExtended strand (participates in β ladder)trans-132.4129.7178.5175.8174.2154.700110.6L232 N236 I263L232-E234 WeakPolarHBondContact CD1-O 3.28Å; E234-N236 HydrophobicContact CG-CB 4.21Å; E234-N236 PolarHBondContact OE1-ND2 3Å; E234-I263 WeakPolarHBondContact CA-O 3.38Å; E234-I263 HydrophobicContact CB-CB 4.18Å; E234-I263 HydrophobicContact CG-CB 4Å; E234-I263 HydrophobicContact CG-CG2 4.05Å
235V95.7Very high93.1Very high3 Ų362.7 Ų62.72%0.01834%0.337CS..EExtended strand (participates in β ladder)trans-111.4110.1171.5177.80000108V225 L232 L237 F251 V261 I263 F264 S265V225-V235 HydrophobicContact CG2-CG2 3.58Å; L232-V235 HydrophobicContact CD2-CG2 4.05Å; L232-V235 HydrophobicContact CG-CG2 4.19Å; V235-L237 HydrophobicContact CG1-CD2 4.49Å; V235-L237 HydrophobicContact CG1-CG 4.25Å; V235-F251 HydrophobicContact CG1-CD1 4.24Å; V235-F251 HydrophobicContact CG1-CE1 4Å; V235-V261 HydrophobicContact CB-CG1 4.44Å; V235-V261 HydrophobicContact CG2-CG1 3.89Å; V235-V261 HydrophobicContact CG2-CG2 3.75Å; V235-I263 PolarHBondContact N-O 2.93Å; V235-F264 HydrophobicContact CB-CD2 3.96Å; V235-F264 HydrophobicContact CG1-CD2 3.79Å; V235-F264 HydrophobicContact CG1-CE2 3.93Å; V235-F264 WeakPolarHBondContact O-CA 3.46Å; V235-S265 PolarHBondContact O-N 3.18Å
236N95.1Very high93.1Very high43 Ų4368 Ų6823%0.2336%0.361CS..EExtended strand (participates in β ladder)trans-122.3101.6-171.1-168.5-31.5000110.4N214 T216 E234 N238N214-N236 PolarHBondContact ND2-O 2.69Å; T216-N236 PolarHBondContact OG1-O 2.76Å; E234-N236 HydrophobicContact CG-CB 4.21Å; E234-N236 PolarHBondContact OE1-ND2 3Å; N236-N238 WeakPolarHBondContact OD1-CB 3.27Å; N236-N238 PolarHBondContact OD1-N 3Å; N236-N238 PolarHBondContact OD1-ND2 3.23Å
237L93.9Very high93.1Very high0 Ų063.8 Ų63.80%034%0.34CS..  trans-105.414.9-179.3-54.4177.4000112T216 V235 N239 I240 I243 L248 F251 F264 S265 L266 T269T216-L237 HydrophobicContact CG2-CD2 4.27Å; V235-L237 HydrophobicContact CG1-CD2 4.49Å; V235-L237 HydrophobicContact CG1-CG 4.25Å; L237-N239 PolarHBondContact O-N 3.47Å; L237-I240 HydrophobicContact CB-CD1 4.26Å; L237-I240 HydrophobicContact CD2-CD1 4.26Å; L237-I240 WeakPolarHBondContact O-CG1 3.26Å; L237-I243 HydrophobicContact CD1-CD1 4.02Å; L237-L248 HydrophobicContact CD1-CD2 4.03Å; L237-F251 HydrophobicContact CD1-CD1 4.43Å; L237-F251 HydrophobicContact CD1-CD2 3.74Å; L237-F251 HydrophobicContact CD1-CE1 4.38Å; L237-F251 HydrophobicContact CD1-CE2 3.7Å; L237-F251 HydrophobicContact CD1-CG 4.13Å; L237-F251 HydrophobicContact CD1-CZ 4.02Å; L237-F251 HydrophobicContact CD2-CE2 4.19Å; L237-F251 HydrophobicContact CD2-CZ 3.94Å; L237-F264 HydrophobicContact CD1-CE2 3.98Å; L237-S265 PolarHBondContact N-O 3.35Å; L237-L266 HydrophobicContact CB-CB 4.31Å; L237-T269 HydrophobicContact CB-CG2 4.41Å; L237-T269 WeakPolarHBondContact O-CG2 3.48Å
238N94.4Very high93.1Very high29 Ų2958.2 Ų58.216%0.15531%0.31CS..THydrogen-bonded Turntrans-61.6137.6-172.5-62.9-29.3000112N214 N236 I240 S265 L266 A267N214-N238 WeakPolarHBondContact CB-O 3.4Å; N214-N238 PolarHBondContact ND2-N 3.33Å; N214-N238 PolarHBondContact ND2-O 2.91Å; N214-N238 VanDerWaalsContact ND2-O 3.13Å; N236-N238 WeakPolarHBondContact OD1-CB 3.27Å; N236-N238 PolarHBondContact OD1-N 3Å; N236-N238 PolarHBondContact OD1-ND2 3.23Å; N238-I240 PolarHBondContact O-N 3.49Å; N238-S265 VanDerWaalsContact CG-OG 3.23Å; N238-S265 PolarHBondContact ND2-OG 3.24Å; N238-S265 VanDerWaalsContact OD1-C 3.3Å; N238-S265 WeakPolarHBondContact OD1-CB 3.4Å; N238-S265 PolarHBondContact OD1-O 3.04Å; N238-S265 PolarHBondContact OD1-OG 2.87Å; N238-L266 PolarHBondContact OD1-N 3.14Å; N238-A267 CarbonylContact C-O 3.52Å; N238-A267 VanDerWaalsContact CA-O 3.28Å; N238-A267 WeakPolarHBondContact CA-O 3.45Å; N238-A267 WeakPolarHBondContact OD1-CB 3.44Å; N238-A267 PolarHBondContact OD1-N 3.45Å
239N92.8Very high93.3Very high88 Ų8858 Ų5847%0.47131%0.309SS..THydrogen-bonded Turntrans54.344.2178.5-46.6-74.9000114L237 A267 N268L237-N239 PolarHBondContact O-N 3.47Å; N239-A267 PolarHBondContact N-O 3.03Å; N239-N268 WeakPolarHBondContact OD1-CB 3.39Å; N239-N268 PolarHBondContact OD1-ND2 3.4Å
240I90.3Very high93.4Very high23 Ų2362.3 Ų62.312%0.11832%0.323CS..  trans-104109.5167.9-59.7179.1000107N214 V218 L237 N238 I243N214-I240 HydrophobicContact CB-CD1 4.45Å; N214-I240 HydrophobicContact CB-CG1 4.03Å; V218-I240 HydrophobicContact CG2-CD1 3.91Å; V218-I240 HydrophobicContact CG2-CG2 4.07Å; L237-I240 HydrophobicContact CB-CD1 4.26Å; L237-I240 HydrophobicContact CD2-CD1 4.26Å; L237-I240 WeakPolarHBondContact O-CG1 3.26Å; N238-I240 PolarHBondContact O-N 3.49Å; I240-I243 HydrophobicContact CG2-CB 4.08Å; I240-I243 HydrophobicContact CG2-CG2 4.48Å; I240-I243 WeakPolarHBondContact O-CG2 3.5Å
241D80.6Confident93.5Very high81 Ų8158.5 Ų58.543%0.43330%0.296SS..THydrogen-bonded Turntrans-77.6-31.1-174.9-87-67.6000113.8I243 R270D241-I243 PolarHBondContact O-N 3.1Å; D241-R270 IonicContact OD1-CZ 2.64Å; D241-R270 IonicContact OD1-NE 2.75Å; D241-R270 PolarHBondContact OD1-NE 2.76Å; D241-R270 IonicContact OD1-NH2 3.55Å; D241-R270 PolarHBondContact OD1-NH2 3.23Å
242D83.5Confident93.6Very high161 Ų16151.3 Ų51.386%0.86126%0.262SS*.THydrogen-bonded Turntrans-92.817.8-172.7-63.3-45.7000114.1
243I90.3Very high93.6Very high19 Ų1956.2 Ų56.210%0.09729%0.285CS..  trans-86.2131.5178.8-164.5164000111.8V218 L237 I240 D241 T247 L248 F251 T269V218-I243 HydrophobicContact CG1-CD1 3.7Å; V218-I243 HydrophobicContact CG1-CG1 4.23Å; V218-I243 HydrophobicContact CG2-CD1 4.43Å; L237-I243 HydrophobicContact CD1-CD1 4.02Å; I240-I243 HydrophobicContact CG2-CB 4.08Å; I240-I243 HydrophobicContact CG2-CG2 4.48Å; I240-I243 WeakPolarHBondContact O-CG2 3.5Å; D241-I243 PolarHBondContact O-N 3.1Å; I243-T247 HydrophobicContact CD1-CG2 4.29Å; I243-T247 HydrophobicContact CG1-CG2 4.1Å; I243-L248 HydrophobicContact CD1-CD2 3.61Å; I243-L248 HydrophobicContact CD1-CG 4.1Å; I243-L248 HydrophobicContact CG1-CD2 4.22Å; I243-L248 HydrophobicContact CG1-CG 4.16Å; I243-L248 HydrophobicContact CG2-CD1 4.37Å; I243-L248 HydrophobicContact CG2-CD2 4.49Å; I243-L248 HydrophobicContact CG2-CG 4.44Å; I243-F251 HydrophobicContact CD1-CE2 4.4Å; I243-T269 HydrophobicContact CG2-CG2 4.3Å
244T93.8Very high93.7Very high73 Ų7353 Ų5345%0.44827%0.266SS..  trans-82.1151.9178.784.70000111.7E246 T247 L248T244-E246 PolarHBondContact O-N 3.33Å; T244-E246 PolarHBondContact OG1-N 3.26Å; T244-T247 WeakPolarHBondContact O-CB 3.28Å; T244-T247 PolarHBondContact O-N 2.86Å; T244-T247 VanDerWaalsContact O-N 3.13Å; T244-T247 PolarHBondContact OG1-N 3.44Å; T244-T247 PolarHBondContact OG1-OG1 2.8Å; T244-L248 PolarHBondContact O-N 2.86Å
245Q94.4Very high93.7Very high62 Ų6248.9 Ų48.929%0.2925%0.247SC..Hα-helixtrans-59.4-34.7173.7-53-63.9-8.300111.5L248 I249 R270 V275Q245-L248 PolarHBondContact O-N 3.49Å; Q245-I249 VanDerWaalsContact O-CG1 3.31Å; Q245-I249 WeakPolarHBondContact O-CG1 3.44Å; Q245-I249 PolarHBondContact O-N 2.82Å; Q245-R270 PolarHBondContact NE2-O 2.84Å; Q245-V275 HydrophobicContact CB-CG2 4.24Å; Q245-V275 VanDerWaalsContact OE1-CG2 3.22Å
246E95.6Very high93.7Very high112 Ų11254.7 Ų54.752%0.52327%0.269SS..Hα-helixtrans-65.6-42.6176.1-158.6-158133.700111.2T244 L248 I249 R250T244-E246 PolarHBondContact O-N 3.33Å; T244-E246 PolarHBondContact OG1-N 3.26Å; E246-L248 VanDerWaalsContact C-N 3.31Å; E246-L248 PolarHBondContact O-N 2.7Å; E246-I249 PolarHBondContact O-N 3.08Å; E246-I249 VanDerWaalsContact O-N 3.15Å; E246-R250 WeakPolarHBondContact O-CG 3.42Å; E246-R250 PolarHBondContact O-N 3.43Å; E246-R250 IonicContact OE1-CZ 2.69Å; E246-R250 IonicContact OE1-NE 3.18Å; E246-R250 PolarHBondContact OE1-NE 3.27Å; E246-R250 IonicContact OE1-NH2 2.88Å; E246-R250 PolarHBondContact OE1-NH2 3.24Å; E246-R250 IonicContact OE2-NH2 2.76Å
247T95.5Very high93.6Very high22 Ų2256.6 Ų56.614%0.13529%0.291CS..Hα-helixtrans-58.4-43.6173.8-47.30000111V218 L222 I243 T244 I249 R250 F251V218-T247 HydrophobicContact CG1-CG2 3.74Å; L222-T247 HydrophobicContact CD2-CG2 4.49Å; I243-T247 HydrophobicContact CD1-CG2 4.29Å; I243-T247 HydrophobicContact CG1-CG2 4.1Å; T244-T247 WeakPolarHBondContact O-CB 3.28Å; T244-T247 PolarHBondContact O-N 2.86Å; T244-T247 VanDerWaalsContact O-N 3.13Å; T244-T247 PolarHBondContact OG1-N 3.44Å; T244-T247 PolarHBondContact OG1-OG1 2.8Å; T247-I249 PolarHBondContact O-N 3.15Å; T247-R250 PolarHBondContact O-N 2.9Å; T247-F251 HydrophobicContact CG2-CD2 4.28Å; T247-F251 HydrophobicContact CG2-CE2 4.08Å; T247-F251 VanDerWaalsContact O-CD2 3.29Å; T247-F251 WeakPolarHBondContact O-CD2 3.27Å; T247-F251 PolarHBondContact O-N 2.84Å
248L96.1Very high93.7Very high0 Ų056.9 Ų56.90%029%0.292CS..Hα-helixtrans-64.5-36.2175.6-69.2174.9000113L237 I243 T244 Q245 E246 F251 A252 L266 A271 V275L237-L248 HydrophobicContact CD1-CD2 4.03Å; I243-L248 HydrophobicContact CD1-CD2 3.61Å; I243-L248 HydrophobicContact CD1-CG 4.1Å; I243-L248 HydrophobicContact CG1-CD2 4.22Å; I243-L248 HydrophobicContact CG1-CG 4.16Å; I243-L248 HydrophobicContact CG2-CD1 4.37Å; I243-L248 HydrophobicContact CG2-CD2 4.49Å; I243-L248 HydrophobicContact CG2-CG 4.44Å; T244-L248 PolarHBondContact O-N 2.86Å; Q245-L248 PolarHBondContact O-N 3.49Å; E246-L248 VanDerWaalsContact C-N 3.31Å; E246-L248 PolarHBondContact O-N 2.7Å; L248-F251 PolarHBondContact O-N 2.88Å; L248-A252 PolarHBondContact O-N 3.26Å; L248-L266 HydrophobicContact CD1-CD1 4.49Å; L248-L266 HydrophobicContact CD2-CB 4.38Å; L248-L266 HydrophobicContact CD2-CD1 3.99Å; L248-A271 HydrophobicContact CD1-CB 3.97Å; L248-V275 HydrophobicContact CB-CG1 3.88Å; L248-V275 HydrophobicContact CB-CG2 3.74Å; L248-V275 HydrophobicContact CD1-CG1 4.36Å; L248-V275 HydrophobicContact CD1-CG2 4.12Å
249I96.9Very high93.7Very high44 Ų4459 Ų5923%0.22631%0.306CS..Hα-helixtrans-66.6-45.3173-69.4163.8000110.4Q245 E246 T247 F251 A252 E253 H274 V275 A278Q245-I249 VanDerWaalsContact O-CG1 3.31Å; Q245-I249 WeakPolarHBondContact O-CG1 3.44Å; Q245-I249 PolarHBondContact O-N 2.82Å; E246-I249 PolarHBondContact O-N 3.08Å; E246-I249 VanDerWaalsContact O-N 3.15Å; T247-I249 PolarHBondContact O-N 3.15Å; I249-F251 VanDerWaalsContact C-N 3.28Å; I249-F251 PolarHBondContact O-N 2.66Å; I249-A252 WeakPolarHBondContact O-CB 3.38Å; I249-A252 PolarHBondContact O-N 3.26Å; I249-E253 HydrophobicContact CG2-CG 4.4Å; I249-E253 PolarHBondContact O-N 3.24Å; I249-H274 HydrophobicContact CD1-CB 4.46Å; I249-V275 HydrophobicContact CG1-CG2 4.19Å; I249-A278 HydrophobicContact CB-CB 4.4Å; I249-A278 HydrophobicContact CG1-CB 4.03Å; I249-A278 HydrophobicContact CG2-CB 4.12Å
250R96.8Very high93.9Very high126 Ų12658 Ų5848%0.47530%0.299SS..Hα-helixtrans-58.3-37.4174.9-67.5179-167.5-176.45.3112L222 E246 T247 E253 A254L222-R250 HydrophobicContact CD1-CB 4.39Å; L222-R250 HydrophobicContact CD2-CB 4.24Å; E246-R250 WeakPolarHBondContact O-CG 3.42Å; E246-R250 PolarHBondContact O-N 3.43Å; E246-R250 IonicContact OE1-CZ 2.69Å; E246-R250 IonicContact OE1-NE 3.18Å; E246-R250 PolarHBondContact OE1-NE 3.27Å; E246-R250 IonicContact OE1-NH2 2.88Å; E246-R250 PolarHBondContact OE1-NH2 3.24Å; E246-R250 IonicContact OE2-NH2 2.76Å; T247-R250 PolarHBondContact O-N 2.9Å; R250-E253 PolarHBondContact O-N 2.87Å; R250-A254 VanDerWaalsContact O-CB 3.29Å; R250-A254 WeakPolarHBondContact O-CB 3.12Å; R250-A254 PolarHBondContact O-N 2.88Å
251F96.6Very high94.2Very high0 Ų057 Ų570%029%0.293CS..Hα-helixtrans-60.9-46.9170.9-89.4-73.8000112.3V218 A221 L222 V225 V235 L237 I243 T247 L248 I249 E253 A254 L255 F264V218-F251 HydrophobicContact CG1-CE2 3.7Å; V218-F251 HydrophobicContact CG1-CZ 4.18Å; V218-F251 WeakPolarHBondContact O-CZ 3.17Å; A221-F251 HydrophobicContact CB-CE1 4.35Å; A221-F251 HydrophobicContact CB-CZ 4.19Å; L222-F251 HydrophobicContact CB-CE1 3.91Å; L222-F251 HydrophobicContact CB-CE2 4.08Å; L222-F251 HydrophobicContact CB-CZ 3.63Å; L222-F251 HydrophobicContact CD1-CD1 3.85Å; L222-F251 HydrophobicContact CD1-CD2 4.18Å; L222-F251 HydrophobicContact CD1-CE1 4.04Å; L222-F251 HydrophobicContact CD1-CE2 4.35Å; L222-F251 HydrophobicContact CD1-CG 3.92Å; L222-F251 HydrophobicContact CD1-CZ 4.29Å; L222-F251 HydrophobicContact CG-CZ 4.49Å; V225-F251 HydrophobicContact CG2-CD1 4.43Å; V225-F251 HydrophobicContact CG2-CE1 4.31Å; V235-F251 HydrophobicContact CG1-CD1 4.24Å; V235-F251 HydrophobicContact CG1-CE1 4Å; L237-F251 HydrophobicContact CD1-CD1 4.43Å; L237-F251 HydrophobicContact CD1-CD2 3.74Å; L237-F251 HydrophobicContact CD1-CE1 4.38Å; L237-F251 HydrophobicContact CD1-CE2 3.7Å; L237-F251 HydrophobicContact CD1-CG 4.13Å; L237-F251 HydrophobicContact CD1-CZ 4.02Å; L237-F251 HydrophobicContact CD2-CE2 4.19Å; L237-F251 HydrophobicContact CD2-CZ 3.94Å; I243-F251 HydrophobicContact CD1-CE2 4.4Å; T247-F251 HydrophobicContact CG2-CD2 4.28Å; T247-F251 HydrophobicContact CG2-CE2 4.08Å; T247-F251 VanDerWaalsContact O-CD2 3.29Å; T247-F251 WeakPolarHBondContact O-CD2 3.27Å; T247-F251 PolarHBondContact O-N 2.84Å; L248-F251 PolarHBondContact O-N 2.88Å; I249-F251 VanDerWaalsContact C-N 3.28Å; I249-F251 PolarHBondContact O-N 2.66Å; F251-E253 VanDerWaalsContact C-N 3.32Å; F251-E253 PolarHBondContact O-N 3.23Å; F251-A254 PolarHBondContact O-N 3.01Å; F251-L255 VanDerWaalsContact O-CB 3.28Å; F251-L255 WeakPolarHBondContact O-CB 3.28Å; F251-L255 WeakPolarHBondContact O-CG 3.39Å; F251-L255 PolarHBondContact O-N 2.82Å; F251-F264 HydrophobicContact CB-CE2 4.43Å; F251-F264 HydrophobicContact CB-CZ 4Å
252A96.8Very high95.1Very high1 Ų159.4 Ų59.41%0.00830%0.297CS..Hα-helixtrans-64.1-36.4178.200000112.4L248 I249 R256 A278 I279 M282L248-A252 PolarHBondContact O-N 3.26Å; I249-A252 WeakPolarHBondContact O-CB 3.38Å; I249-A252 PolarHBondContact O-N 3.26Å; A252-R256 PolarHBondContact O-N 2.81Å; A252-A278 HydrophobicContact CB-CB 3.93Å; A252-I279 HydrophobicContact CB-CG1 3.86Å; A252-M282 HydrophobicContact CB-CB 4.48Å; A252-M282 WeakPolarHBondContact O-CB 3.37Å; A252-M282 VanDerWaalsContact O-CG 3.28Å; A252-M282 WeakPolarHBondContact O-CG 3.42Å
253E96.3Very high95.7Very high125 Ų12554.5 Ų54.558%0.58427%0.27SS*.Hα-helixtrans-70.6-41.5175.7-69.2-176.6160.200112.4I249 R250 F251 R256I249-E253 HydrophobicContact CG2-CG 4.4Å; I249-E253 PolarHBondContact O-N 3.24Å; R250-E253 PolarHBondContact O-N 2.87Å; F251-E253 VanDerWaalsContact C-N 3.32Å; F251-E253 PolarHBondContact O-N 3.23Å; E253-R256 WeakPolarHBondContact O-CB 3.31Å; E253-R256 PolarHBondContact O-N 2.75Å
254A96.1Very high96.1Very high14 Ų1453.6 Ų53.612%0.11627%0.265CS..Hα-helixtrans-65-42.2174.600000112.1L222 V225 L226 R250 F251 R256L222-A254 HydrophobicContact CD1-CB 4.31Å; V225-A254 HydrophobicContact CG1-CB 3.68Å; L226-A254 HydrophobicContact CD2-CB 3.51Å; L226-A254 HydrophobicContact CG-CB 3.82Å; R250-A254 VanDerWaalsContact O-CB 3.29Å; R250-A254 WeakPolarHBondContact O-CB 3.12Å; R250-A254 PolarHBondContact O-N 2.88Å; F251-A254 PolarHBondContact O-N 3.01Å; A254-R256 PolarHBondContact O-N 2.8Å
255L96.6Very high96.2Very high0 Ų050.5 Ų50.50%025%0.246CC..Hα-helixtrans-66.9-15.2176.2-73.1170.2000113.5V225 F251 A257 N258 V261 F264 M282 N286 I289V225-L255 HydrophobicContact CG1-CD2 3.66Å; V225-L255 HydrophobicContact CG1-CG 3.83Å; V225-L255 HydrophobicContact CG2-CD2 4.36Å; F251-L255 VanDerWaalsContact O-CB 3.28Å; F251-L255 WeakPolarHBondContact O-CB 3.28Å; F251-L255 WeakPolarHBondContact O-CG 3.39Å; F251-L255 PolarHBondContact O-N 2.82Å; L255-A257 PolarHBondContact O-N 2.88Å; L255-N258 HydrophobicContact CD2-CB 4.23Å; L255-N258 PolarHBondContact O-N 3.3Å; L255-V261 HydrophobicContact CD2-CB 3.83Å; L255-V261 HydrophobicContact CD2-CG1 3.85Å; L255-V261 HydrophobicContact CD2-CG2 3.85Å; L255-F264 HydrophobicContact CD1-CB 4.28Å; L255-F264 HydrophobicContact CD1-CD1 3.47Å; L255-F264 VanDerWaalsContact CD1-CD1 3.47Å; L255-F264 HydrophobicContact CD1-CD2 3.81Å; L255-F264 HydrophobicContact CD1-CE1 3.57Å; L255-F264 HydrophobicContact CD1-CE2 3.89Å; L255-F264 HydrophobicContact CD1-CG 3.6Å; L255-F264 HydrophobicContact CD1-CZ 3.78Å; L255-M282 HydrophobicContact CB-CG 3.96Å; L255-M282 HydrophobicContact CB-SD 3.48Å; L255-M282 WeakPolarHBondContact CB-SD 3.48Å; L255-M282 HydrophobicContact CD1-SD 4.01Å; L255-M282 HydrophobicContact CG-SD 4.4Å; L255-N286 PolarHBondContact O-ND2 3.04Å; L255-I289 HydrophobicContact CB-CD1 4.29Å; L255-I289 HydrophobicContact CD1-CD1 4.31Å; L255-I289 HydrophobicContact CD2-CD1 4.36Å
256R95.4Very high96.3Very high125 Ų12547.6 Ų47.647%0.47223%0.233SC..THydrogen-bonded Turntrans-57.3-37-180-172.8177.9172.1-122.4-6.5112.8A252 E253 A254 E285A252-R256 PolarHBondContact O-N 2.81Å; E253-R256 WeakPolarHBondContact O-CB 3.31Å; E253-R256 PolarHBondContact O-N 2.75Å; A254-R256 PolarHBondContact O-N 2.8Å; R256-E285 HydrophobicContact CG-CB 4.21Å; R256-E285 IonicContact CZ-OE1 3.51Å; R256-E285 VanDerWaalsContact CZ-OE1 3.27Å; R256-E285 IonicContact CZ-OE2 2.71Å; R256-E285 IonicContact NE-OE1 2.9Å; R256-E285 PolarHBondContact NE-OE1 2.78Å; R256-E285 IonicContact NE-OE2 3.76Å; R256-E285 PolarHBondContact NE-OE2 3.23Å; R256-E285 VanDerWaalsContact NE-OE2 3.13Å; R256-E285 IonicContact NH2-OE1 3.72Å; R256-E285 PolarHBondContact NH2-OE1 3.01Å; R256-E285 IonicContact NH2-OE2 3.88Å; R256-E285 PolarHBondContact NH2-OE2 3.35Å
257A92.9Very high96.3Very high84 Ų8442.8 Ų42.869%0.69421%0.212SC*.THydrogen-bonded Turntrans-107.2-12.4-179.800000114.4L255 T259L255-A257 PolarHBondContact O-N 2.88Å; A257-T259 PolarHBondContact O-N 3.48Å
258N95.8Very high96.2Very high5 Ų544.6 Ų44.63%0.02722%0.221CC..  trans-62.1128.7-175-176.4-74.7000112.2V225 D228 L255 H260 V261 N286V225-N258 PolarHBondContact O-ND2 3.21Å; V225-N258 VanDerWaalsContact O-ND2 3.08Å; D228-N258 WeakPolarHBondContact OD1-CA 3.49Å; D228-N258 PolarHBondContact OD1-ND2 3.19Å; D228-N258 PolarHBondContact OD1-OD1 3.37Å; L255-N258 HydrophobicContact CD2-CB 4.23Å; L255-N258 PolarHBondContact O-N 3.3Å; N258-H260 PolarHBondContact OD1-N 3.08Å; N258-H260 VanDerWaalsContact OD1-N 3.11Å; N258-V261 WeakPolarHBondContact OD1-CB 3.46Å; N258-V261 VanDerWaalsContact OD1-CG2 3.28Å; N258-V261 WeakPolarHBondContact OD1-CG2 3.46Å; N258-V261 PolarHBondContact OD1-N 2.89Å; N258-N286 PolarHBondContact O-ND2 3.21Å
259T95.6Very high96.1Very high74 Ų7444.7 Ų44.745%0.45422%0.222SC..SBendtrans-96.6-17.9-174.168.90000113.5D228 A257 S288D228-T259 PolarHBondContact OD1-N 3.01Å; D228-T259 WeakPolarHBondContact OD2-CB 3.28Å; D228-T259 WeakPolarHBondContact OD2-CG2 3.37Å; D228-T259 PolarHBondContact OD2-N 3.47Å; D228-T259 VanDerWaalsContact OD2-N 3.16Å; D228-T259 PolarHBondContact OD2-OG1 2.69Å; A257-T259 PolarHBondContact O-N 3.48Å; T259-S288 VanDerWaalsContact C-OG 3.24Å; T259-S288 WeakPolarHBondContact CA-OG 3.33Å; T259-S288 VanDerWaalsContact O-CB 3.26Å; T259-S288 WeakPolarHBondContact O-CB 3.3Å; T259-S288 PolarHBondContact O-OG 3.39Å
260H96.3Very high96Very high68 Ų6848.2 Ų48.232%0.31523%0.232SC..SBendtrans-100.3-34.7-169.3-69.6-72.2000115.3D228 N258 R262D228-H260 PolarHBondContact O-CD2 3.1Å; D228-H260 VanDerWaalsContact O-CD2 3.32Å; D228-H260 IonicContact OD1-CD2 3.5Å; D228-H260 PolarHBondContact OD1-CD2 3.1Å; D228-H260 PolarHBondContact OD1-N 3.11Å; D228-H260 IonicContact OD2-CD2 3.74Å; N258-H260 PolarHBondContact OD1-N 3.08Å; N258-H260 VanDerWaalsContact OD1-N 3.11Å; H260-R262 PolarHBondContact O-N 3.07Å
261V97.3Very high95.9Very high0 Ų042.2 Ų42.20%021%0.21CC..  trans-65.7123.5-176.6175.50000111.1V225 L232 V235 L255 N258 I263 S288 I289V225-V261 HydrophobicContact CG2-CG2 4.44Å; L232-V261 HydrophobicContact CG-CG2 4.35Å; L232-V261 VanDerWaalsContact O-CG2 3.26Å; L232-V261 WeakPolarHBondContact O-CG2 3.43Å; V235-V261 HydrophobicContact CB-CG1 4.44Å; V235-V261 HydrophobicContact CG2-CG1 3.89Å; V235-V261 HydrophobicContact CG2-CG2 3.75Å; L255-V261 HydrophobicContact CD2-CB 3.83Å; L255-V261 HydrophobicContact CD2-CG1 3.85Å; L255-V261 HydrophobicContact CD2-CG2 3.85Å; N258-V261 WeakPolarHBondContact OD1-CB 3.46Å; N258-V261 VanDerWaalsContact OD1-CG2 3.28Å; N258-V261 WeakPolarHBondContact OD1-CG2 3.46Å; N258-V261 PolarHBondContact OD1-N 2.89Å; V261-I263 WeakPolarHBondContact CG1-O 3.45Å; V261-S288 CarbonylContact O-C 3.53Å; V261-I289 HydrophobicContact CG1-CG1 4.4Å; V261-I289 PolarHBondContact O-N 3.2Å
262R97.7Very high95.8Very high133 Ų13344 Ų4450%0.50222%0.22SC..  trans-103.9-25179.9-59.2-53.3-172.684.20.6113.5T233 H260 S288 T290 S291T233-R262 PolarHBondContact O-N 3.11Å; H260-R262 PolarHBondContact O-N 3.07Å; R262-S288 WeakPolarHBondContact CD-O 3.49Å; R262-T290 PolarHBondContact O-N 3.3Å; R262-T290 PolarHBondContact O-OG1 3.47Å; R262-S291 PolarHBondContact O-N 2.94Å; R262-S291 VanDerWaalsContact O-N 3.15Å
263I97.9Very high95.8Very high58 Ų5846 Ų4630%0.29723%0.23SC..EExtended strand (participates in β ladder)trans-132.5125-175.5-54.9179.7000108.3T233 E234 V235 V261 S291T233-I263 PolarHBondContact O-N 3.11Å; E234-I263 WeakPolarHBondContact CA-O 3.38Å; E234-I263 HydrophobicContact CB-CB 4.18Å; E234-I263 HydrophobicContact CG-CB 4Å; E234-I263 HydrophobicContact CG-CG2 4.05Å; V235-I263 PolarHBondContact N-O 2.93Å; V261-I263 WeakPolarHBondContact CG1-O 3.45Å; I263-S291 WeakPolarHBondContact CA-O 3.34Å
264F97.6Very high95.8Very high0 Ų046.2 Ų46.20%023%0.231CC..EExtended strand (participates in β ladder)trans-123.2122.2171.4-177.7-145.4000109.3V235 L237 F251 L255 L266 I279 S291 L292 N293V235-F264 HydrophobicContact CB-CD2 3.96Å; V235-F264 HydrophobicContact CG1-CD2 3.79Å; V235-F264 HydrophobicContact CG1-CE2 3.93Å; V235-F264 WeakPolarHBondContact O-CA 3.46Å; L237-F264 HydrophobicContact CD1-CE2 3.98Å; F251-F264 HydrophobicContact CB-CE2 4.43Å; F251-F264 HydrophobicContact CB-CZ 4Å; L255-F264 HydrophobicContact CD1-CB 4.28Å; L255-F264 HydrophobicContact CD1-CD1 3.47Å; L255-F264 VanDerWaalsContact CD1-CD1 3.47Å; L255-F264 HydrophobicContact CD1-CD2 3.81Å; L255-F264 HydrophobicContact CD1-CE1 3.57Å; L255-F264 HydrophobicContact CD1-CE2 3.89Å; L255-F264 HydrophobicContact CD1-CG 3.6Å; L255-F264 HydrophobicContact CD1-CZ 3.78Å; F264-L266 HydrophobicContact CD1-CD2 3.94Å; F264-L266 HydrophobicContact CD2-CD2 4.28Å; F264-L266 HydrophobicContact CE1-CD2 3.64Å; F264-L266 HydrophobicContact CE2-CD2 4.01Å; F264-L266 HydrophobicContact CG-CD2 4.26Å; F264-L266 HydrophobicContact CZ-CD2 3.69Å; F264-I279 HydrophobicContact CE1-CD1 4.11Å; F264-I279 HydrophobicContact CE1-CG1 4.27Å; F264-S291 PolarHBondContact N-O 3.13Å; F264-L292 HydrophobicContact CB-CD1 4.28Å; F264-L292 HydrophobicContact CD1-CD1 3.73Å; F264-L292 HydrophobicContact CG-CD1 4.31Å; F264-L292 WeakPolarHBondContact O-CA 3.5Å; F264-N293 PolarHBondContact O-N 3.04Å
265S97Very high95.9Very high8 Ų845.6 Ų45.66%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-134.9122.2-174.8-165.50000110.5V235 L237 N238 N293V235-S265 PolarHBondContact O-N 3.18Å; L237-S265 PolarHBondContact N-O 3.35Å; N238-S265 VanDerWaalsContact CG-OG 3.23Å; N238-S265 PolarHBondContact ND2-OG 3.24Å; N238-S265 VanDerWaalsContact OD1-C 3.3Å; N238-S265 WeakPolarHBondContact OD1-CB 3.4Å; N238-S265 PolarHBondContact OD1-O 3.04Å; N238-S265 PolarHBondContact OD1-OG 2.87Å; S265-N293 WeakPolarHBondContact OG-CB 3.45Å; S265-N293 PolarHBondContact OG-ND2 3.4Å
266L95.7Very high95.9Very high0 Ų045.7 Ų45.70%023%0.226CC..  trans-136.244.3179.959.3152.6000110.5L237 N238 L248 F264 T269 A271 V275 I279 L292 N293 I294 N297L237-L266 HydrophobicContact CB-CB 4.31Å; N238-L266 PolarHBondContact OD1-N 3.14Å; L248-L266 HydrophobicContact CD1-CD1 4.49Å; L248-L266 HydrophobicContact CD2-CB 4.38Å; L248-L266 HydrophobicContact CD2-CD1 3.99Å; F264-L266 HydrophobicContact CD1-CD2 3.94Å; F264-L266 HydrophobicContact CD2-CD2 4.28Å; F264-L266 HydrophobicContact CE1-CD2 3.64Å; F264-L266 HydrophobicContact CE2-CD2 4.01Å; F264-L266 HydrophobicContact CG-CD2 4.26Å; F264-L266 HydrophobicContact CZ-CD2 3.69Å; L266-T269 HydrophobicContact CB-CG2 4.02Å; L266-T269 WeakPolarHBondContact O-CG2 3.31Å; L266-T269 PolarHBondContact O-OG1 2.67Å; L266-A271 HydrophobicContact CD1-CB 4.06Å; L266-V275 HydrophobicContact CD1-CG1 4.07Å; L266-I279 HydrophobicContact CD1-CD1 3.97Å; L266-I279 HydrophobicContact CD2-CD1 4.14Å; L266-L292 HydrophobicContact CD2-CD1 4.31Å; L266-N293 PolarHBondContact N-O 3.02Å; L266-I294 HydrophobicContact CD1-CG2 4.24Å; L266-I294 HydrophobicContact CD2-CG2 3.71Å; L266-I294 HydrophobicContact CG-CG2 3.91Å; L266-N297 PolarHBondContact O-ND2 2.94Å
267A95.1Very high96Very high12 Ų1243.9 Ų43.910%0.09923%0.225CC..THydrogen-bonded Turntrans-71.7136.6-179.900000111.3N238 N239 E295N238-A267 CarbonylContact C-O 3.52Å; N238-A267 VanDerWaalsContact CA-O 3.28Å; N238-A267 WeakPolarHBondContact CA-O 3.45Å; N238-A267 WeakPolarHBondContact OD1-CB 3.44Å; N238-A267 PolarHBondContact OD1-N 3.45Å; N239-A267 PolarHBondContact N-O 3.03Å; A267-E295 CarbonylContact C-O 3.57Å; A267-E295 WeakPolarHBondContact CA-O 3.38Å; A267-E295 HydrophobicContact CB-CB 4.07Å; A267-E295 WeakPolarHBondContact CB-O 3.32Å
268N94Very high96.2Very high60 Ų6040.5 Ų40.532%0.32120%0.197SC..THydrogen-bonded Turntrans53.155.5-175.3-171.442.7000112.5N239 E295 S296N239-N268 WeakPolarHBondContact OD1-CB 3.39Å; N239-N268 PolarHBondContact OD1-ND2 3.4Å; N268-E295 PolarHBondContact N-O 3.48Å; N268-S296 WeakPolarHBondContact CA-O 3.49Å
269T94.1Very high96.3Very high2 Ų240.3 Ų40.31%0.01220%0.196CC..SBendtrans-118.712.1175.156.30000112.3L237 I243 L266 A271 N297L237-T269 HydrophobicContact CB-CG2 4.41Å; L237-T269 WeakPolarHBondContact O-CG2 3.48Å; I243-T269 HydrophobicContact CG2-CG2 4.3Å; L266-T269 HydrophobicContact CB-CG2 4.02Å; L266-T269 WeakPolarHBondContact O-CG2 3.31Å; L266-T269 PolarHBondContact O-OG1 2.67Å; T269-A271 PolarHBondContact O-N 2.99Å; T269-N297 PolarHBondContact N-OD1 3.49Å; T269-N297 PolarHBondContact OG1-OD1 3.19Å
270R93.8Very high96.4Very high117 Ų11737.1 Ų37.144%0.44218%0.177SC..  trans60.619.6-177-51.1178.4-170.8-178.53.8113.8D241 Q245 N297 Y298D241-R270 IonicContact OD1-CZ 2.64Å; D241-R270 IonicContact OD1-NE 2.75Å; D241-R270 PolarHBondContact OD1-NE 2.76Å; D241-R270 IonicContact OD1-NH2 3.55Å; D241-R270 PolarHBondContact OD1-NH2 3.23Å; Q245-R270 PolarHBondContact NE2-O 2.84Å; R270-N297 PolarHBondContact N-OD1 3.08Å; R270-Y298 HydrophobicContact CB-CD2 3.99Å; R270-Y298 HydrophobicContact CB-CE2 3.64Å; R270-Y298 HydrophobicContact CG-CE2 3.92Å; R270-Y298 WeakPolarHBondContact O-CD2 3.5Å
271A95.3Very high96.5Very high1 Ų139.9 Ų39.91%0.00819%0.189CC..  trans-57.8143.8-178.100000112.7L248 L266 T269 V275 N297 Y298L248-A271 HydrophobicContact CD1-CB 3.97Å; L266-A271 HydrophobicContact CD1-CB 4.06Å; T269-A271 PolarHBondContact O-N 2.99Å; A271-V275 HydrophobicContact CB-CB 4.24Å; A271-V275 HydrophobicContact CB-CG1 4.02Å; A271-N297 HydrophobicContact CB-CB 4.15Å; A271-N297 PolarHBondContact N-OD1 3.1Å; A271-N297 VanDerWaalsContact N-OD1 3.14Å; A271-Y298 CarbonylContact O-C 3.55Å; A271-Y298 WeakPolarHBondContact O-CA 3.14Å; A271-Y298 PolarHBondContact O-N 3.02Å
272D95.1Very high96.5Very high38 Ų3840 Ų4020%0.20319%0.189CC..  trans-116.7-171.4-172.882.1-16.8000114H274 V275 A276D272-H274 VanDerWaalsContact C-N 3.28Å; D272-H274 PolarHBondContact O-N 2.99Å; D272-H274 WeakPolarHBondContact OD1-CA 3.5Å; D272-H274 WeakPolarHBondContact OD1-CB 3.23Å; D272-H274 PolarHBondContact OD1-N 3.32Å; D272-H274 IonicContact OD1-ND1 2.78Å; D272-H274 IonicContact OD2-CE1 3.38Å; D272-H274 IonicContact OD2-CG 2.67Å; D272-H274 IonicContact OD2-ND1 2.66Å; D272-H274 PolarHBondContact OD2-ND1 2.88Å; D272-V275 PolarHBondContact O-N 2.6Å; D272-V275 PolarHBondContact OD1-N 3.06Å; D272-A276 WeakPolarHBondContact O-CB 3.29Å; D272-A276 PolarHBondContact O-N 3.02Å
273D96.5Very high96.4Very high43 Ų4333.7 Ų33.723%0.2317%0.165CC..Hα-helixtrans-64.6-26.6176.8-84.2-13.8000113.6L277 S300 G303D273-L277 WeakPolarHBondContact O-CB 3.4Å; D273-L277 PolarHBondContact O-N 2.88Å; D273-S300 PolarHBondContact OD1-N 3.26Å; D273-S300 PolarHBondContact OD1-OG 3.09Å; D273-S300 VanDerWaalsContact OD2-CB 3.32Å; D273-S300 WeakPolarHBondContact OD2-CB 3.36Å; D273-S300 PolarHBondContact OD2-OG 3.15Å; D273-G303 VanDerWaalsContact OD1-CA 3.24Å; D273-G303 WeakPolarHBondContact OD1-CA 3.38Å; D273-G303 PolarHBondContact OD1-N 3.3Å
274H96.8Very high96.3Very high129 Ų12937.3 Ų37.360%0.59718%0.179SC*.Hα-helixtrans-74.2-43.6177-55.899.2000110.9I249 D272 A276 L277 A278I249-H274 HydrophobicContact CD1-CB 4.46Å; D272-H274 VanDerWaalsContact C-N 3.28Å; D272-H274 PolarHBondContact O-N 2.99Å; D272-H274 WeakPolarHBondContact OD1-CA 3.5Å; D272-H274 WeakPolarHBondContact OD1-CB 3.23Å; D272-H274 PolarHBondContact OD1-N 3.32Å; D272-H274 IonicContact OD1-ND1 2.78Å; D272-H274 IonicContact OD2-CE1 3.38Å; D272-H274 IonicContact OD2-CG 2.67Å; D272-H274 IonicContact OD2-ND1 2.66Å; D272-H274 PolarHBondContact OD2-ND1 2.88Å; H274-A276 VanDerWaalsContact C-N 3.34Å; H274-L277 PolarHBondContact O-N 3.36Å; H274-A278 PolarHBondContact O-N 3.47Å
275V97Very high96.2Very high1 Ų142.2 Ų42.21%0.00620%0.202CC..Hα-helixtrans-60.2-45171175.60000110.5Q245 L248 I249 L266 A271 D272 L277 A278 I279Q245-V275 HydrophobicContact CB-CG2 4.24Å; Q245-V275 VanDerWaalsContact OE1-CG2 3.22Å; L248-V275 HydrophobicContact CB-CG1 3.88Å; L248-V275 HydrophobicContact CB-CG2 3.74Å; L248-V275 HydrophobicContact CD1-CG1 4.36Å; L248-V275 HydrophobicContact CD1-CG2 4.12Å; I249-V275 HydrophobicContact CG1-CG2 4.19Å; L266-V275 HydrophobicContact CD1-CG1 4.07Å; A271-V275 HydrophobicContact CB-CB 4.24Å; A271-V275 HydrophobicContact CB-CG1 4.02Å; D272-V275 PolarHBondContact O-N 2.6Å; D272-V275 PolarHBondContact OD1-N 3.06Å; V275-L277 VanDerWaalsContact C-N 3.3Å; V275-L277 PolarHBondContact O-N 3Å; V275-A278 PolarHBondContact O-N 3.33Å; V275-I279 HydrophobicContact CG1-CD1 3.78Å; V275-I279 HydrophobicContact CG1-CG1 4.37Å; V275-I279 VanDerWaalsContact O-CG1 3.32Å; V275-I279 WeakPolarHBondContact O-CG1 3.3Å; V275-I279 PolarHBondContact O-N 2.87Å
276A97.1Very high96.2Very high2 Ų242.1 Ų42.12%0.01720%0.201CC..Hα-helixtrans-60.3-37.5176.100000112.7D272 H274 A280 V299 L307D272-A276 WeakPolarHBondContact O-CB 3.29Å; D272-A276 PolarHBondContact O-N 3.02Å; H274-A276 VanDerWaalsContact C-N 3.34Å; A276-A280 VanDerWaalsContact O-CB 3.32Å; A276-A280 WeakPolarHBondContact O-CB 3.43Å; A276-A280 PolarHBondContact O-N 2.95Å; A276-V299 HydrophobicContact CB-CG1 3.56Å; A276-V299 HydrophobicContact CB-CG2 4.21Å; A276-L307 HydrophobicContact CB-CD1 3.96Å; A276-L307 HydrophobicContact CB-CG 4.32Å; A276-L307 WeakPolarHBondContact O-CD2 3.41Å
277L97.8Very high96.1Very high86 Ų8645.6 Ų45.645%0.4523%0.229SC..Hα-helixtrans-71.3-35.8175.8-171.8151.1000112.6D273 H274 V275 A280 K281D273-L277 WeakPolarHBondContact O-CB 3.4Å; D273-L277 PolarHBondContact O-N 2.88Å; H274-L277 PolarHBondContact O-N 3.36Å; V275-L277 VanDerWaalsContact C-N 3.3Å; V275-L277 PolarHBondContact O-N 3Å; L277-A280 WeakPolarHBondContact O-CB 3.2Å; L277-A280 PolarHBondContact O-N 3.5Å; L277-K281 HydrophobicContact CD2-CD 4.29Å; L277-K281 PolarHBondContact O-N 3.15Å
278A97.9Very high96.2Very high13 Ų1346 Ų4611%0.10723%0.231CC..Hα-helixtrans-64.7-46.1172.200000111.4I249 A252 H274 V275 A280 K281 M282I249-A278 HydrophobicContact CB-CB 4.4Å; I249-A278 HydrophobicContact CG1-CB 4.03Å; I249-A278 HydrophobicContact CG2-CB 4.12Å; A252-A278 HydrophobicContact CB-CB 3.93Å; H274-A278 PolarHBondContact O-N 3.47Å; V275-A278 PolarHBondContact O-N 3.33Å; A278-A280 VanDerWaalsContact C-N 3.28Å; A278-A280 PolarHBondContact O-N 3.39Å; A278-K281 WeakPolarHBondContact O-CB 3.29Å; A278-K281 PolarHBondContact O-N 3.24Å; A278-K281 VanDerWaalsContact O-N 3.14Å; A278-M282 PolarHBondContact O-N 3.08Å
279I97.8Very high96.3Very high1 Ų143.1 Ų43.11%0.00522%0.216CC..Hα-helixtrans-62.6-35.4174-64.5171.5000110.9A252 F264 L266 V275 K281 M282 L283 L292 I294 L307A252-I279 HydrophobicContact CB-CG1 3.86Å; F264-I279 HydrophobicContact CE1-CD1 4.11Å; F264-I279 HydrophobicContact CE1-CG1 4.27Å; L266-I279 HydrophobicContact CD1-CD1 3.97Å; L266-I279 HydrophobicContact CD2-CD1 4.14Å; V275-I279 HydrophobicContact CG1-CD1 3.78Å; V275-I279 HydrophobicContact CG1-CG1 4.37Å; V275-I279 VanDerWaalsContact O-CG1 3.32Å; V275-I279 WeakPolarHBondContact O-CG1 3.3Å; V275-I279 PolarHBondContact O-N 2.87Å; I279-K281 PolarHBondContact O-N 2.88Å; I279-M282 HydrophobicContact CG2-CE 3.9Å; I279-M282 WeakPolarHBondContact O-CB 3.45Å; I279-M282 PolarHBondContact O-N 3.48Å; I279-L283 HydrophobicContact CG2-CD1 4.4Å; I279-L283 HydrophobicContact CG2-CG 4.39Å; I279-L283 WeakPolarHBondContact O-CB 3.21Å; I279-L283 WeakPolarHBondContact O-CG 3.48Å; I279-L283 PolarHBondContact O-N 3Å; I279-L292 HydrophobicContact CG2-CD1 4.2Å; I279-L292 HydrophobicContact CG2-CD2 3.51Å; I279-I294 HydrophobicContact CD1-CG2 4.21Å; I279-L307 HydrophobicContact CB-CD2 3.92Å; I279-L307 HydrophobicContact CG2-CD2 3.56Å
280A97.4Very high96.5Very high7 Ų745.1 Ų45.16%0.05823%0.228CC..Hα-helixtrans-64.8-35.8173.900000113.3A276 L277 A278 A306 L307 A310A276-A280 VanDerWaalsContact O-CB 3.32Å; A276-A280 WeakPolarHBondContact O-CB 3.43Å; A276-A280 PolarHBondContact O-N 2.95Å; L277-A280 WeakPolarHBondContact O-CB 3.2Å; L277-A280 PolarHBondContact O-N 3.5Å; A278-A280 VanDerWaalsContact C-N 3.28Å; A278-A280 PolarHBondContact O-N 3.39Å; A280-A306 VanDerWaalsContact CB-C 3.43Å; A280-A306 HydrophobicContact CB-CB 3.91Å; A280-A306 VanDerWaalsContact CB-O 3.31Å; A280-A306 WeakPolarHBondContact CB-O 3.32Å; A280-L307 HydrophobicContact CB-CD2 4.22Å; A280-L307 HydrophobicContact CB-CG 4.47Å; A280-A310 HydrophobicContact CB-CB 4.32Å; A280-A310 WeakPolarHBondContact O-CB 3.42Å
281K96.8Very high96.7Very high127 Ų12740.3 Ų40.355%0.55221%0.213SC*.Hα-helixtrans-65.8-50.4171.2-69.9170.1176.61730110.6L277 A278 I279 L283 K284L277-K281 HydrophobicContact CD2-CD 4.29Å; L277-K281 PolarHBondContact O-N 3.15Å; A278-K281 WeakPolarHBondContact O-CB 3.29Å; A278-K281 PolarHBondContact O-N 3.24Å; A278-K281 VanDerWaalsContact O-N 3.14Å; I279-K281 PolarHBondContact O-N 2.88Å; K281-L283 VanDerWaalsContact C-N 3.3Å; K281-L283 PolarHBondContact O-N 2.64Å; K281-K284 PolarHBondContact O-N 2.65Å; K281-K284 VanDerWaalsContact O-N 3.08Å
282M97.3Very high96.8Very high1 Ų140.3 Ų40.31%0.00521%0.212CC..Hα-helixtrans-51.9-45.8176.1178.9-148.274.400112.2A252 L255 A278 I279 K284 E285 N286 I289A252-M282 HydrophobicContact CB-CB 4.48Å; A252-M282 WeakPolarHBondContact O-CB 3.37Å; A252-M282 VanDerWaalsContact O-CG 3.28Å; A252-M282 WeakPolarHBondContact O-CG 3.42Å; L255-M282 HydrophobicContact CB-CG 3.96Å; L255-M282 HydrophobicContact CB-SD 3.48Å; L255-M282 WeakPolarHBondContact CB-SD 3.48Å; L255-M282 HydrophobicContact CD1-SD 4.01Å; L255-M282 HydrophobicContact CG-SD 4.4Å; A278-M282 PolarHBondContact O-N 3.08Å; I279-M282 HydrophobicContact CG2-CE 3.9Å; I279-M282 WeakPolarHBondContact O-CB 3.45Å; I279-M282 PolarHBondContact O-N 3.48Å; M282-K284 PolarHBondContact O-N 2.94Å; M282-E285 PolarHBondContact O-N 2.9Å; M282-E285 VanDerWaalsContact O-N 3.14Å; M282-N286 HydrophobicContact CG-CB 4.3Å; M282-N286 WeakPolarHBondContact O-CB 3.31Å; M282-N286 PolarHBondContact O-N 3.47Å; M282-I289 HydrophobicContact CE-CD1 3.66Å; M282-I289 HydrophobicContact SD-CD1 3.77Å
283L96.9Very high97Very high1 Ų139.2 Ų39.21%0.00521%0.207CC..Hα-helixtrans-63.1-20.8-179.9-78.5177.9000114.8I279 K281 E285 L292 L307 A310 L311 N314 L317I279-L283 HydrophobicContact CG2-CD1 4.4Å; I279-L283 HydrophobicContact CG2-CG 4.39Å; I279-L283 WeakPolarHBondContact O-CB 3.21Å; I279-L283 WeakPolarHBondContact O-CG 3.48Å; I279-L283 PolarHBondContact O-N 3Å; K281-L283 VanDerWaalsContact C-N 3.3Å; K281-L283 PolarHBondContact O-N 2.64Å; L283-E285 VanDerWaalsContact C-N 3.3Å; L283-L292 HydrophobicContact CD1-CD2 3.83Å; L283-L292 HydrophobicContact CD2-CD2 4.19Å; L283-L292 HydrophobicContact CG-CD2 4.28Å; L283-L307 HydrophobicContact CD1-CD2 3.94Å; L283-A310 HydrophobicContact CB-CB 3.78Å; L283-A310 HydrophobicContact CD1-CB 4.46Å; L283-L311 HydrophobicContact CD1-CD2 4.29Å; L283-N314 PolarHBondContact O-ND2 2.75Å; L283-L317 HydrophobicContact CD1-CD2 4.46Å; L283-L317 HydrophobicContact CD2-CD1 4.28Å; L283-L317 HydrophobicContact CD2-CD2 4Å
284K95.4Very high97Very high135 Ų13537.3 Ų37.359%0.58720%0.197SC*.THydrogen-bonded Turntrans-77.8-17176.8-69.6-175.6177.2-176.30113.2K281 M282 Q309 A310K281-K284 PolarHBondContact O-N 2.65Å; K281-K284 VanDerWaalsContact O-N 3.08Å; M282-K284 PolarHBondContact O-N 2.94Å; K284-Q309 WeakPolarHBondContact CE-O 3.18Å; K284-A310 HydrophobicContact CD-CB 4.5Å; K284-A310 HydrophobicContact CG-CB 3.77Å
285E95.4Very high96.9Very high103 Ų10333.2 Ų33.248%0.48118%0.178SC..THydrogen-bonded Turntrans-123.6-35.7-170.9-63.6-180-11500112.8R256 M282 L283 A287R256-E285 HydrophobicContact CG-CB 4.21Å; R256-E285 IonicContact CZ-OE1 3.51Å; R256-E285 VanDerWaalsContact CZ-OE1 3.27Å; R256-E285 IonicContact CZ-OE2 2.71Å; R256-E285 IonicContact NE-OE1 2.9Å; R256-E285 PolarHBondContact NE-OE1 2.78Å; R256-E285 IonicContact NE-OE2 3.76Å; R256-E285 PolarHBondContact NE-OE2 3.23Å; R256-E285 VanDerWaalsContact NE-OE2 3.13Å; R256-E285 IonicContact NH2-OE1 3.72Å; R256-E285 PolarHBondContact NH2-OE1 3.01Å; R256-E285 IonicContact NH2-OE2 3.88Å; R256-E285 PolarHBondContact NH2-OE2 3.35Å; M282-E285 PolarHBondContact O-N 2.9Å; M282-E285 VanDerWaalsContact O-N 3.14Å; L283-E285 VanDerWaalsContact C-N 3.3Å; E285-A287 PolarHBondContact O-N 2.87Å
286N96.3Very high96.8Very high6 Ų635.2 Ų35.23%0.03219%0.192CC..  trans-67124.4178.7-177.9-79.4000111.8L255 N258 M282 S288 I289 T316L255-N286 PolarHBondContact O-ND2 3.04Å; N258-N286 PolarHBondContact O-ND2 3.21Å; M282-N286 HydrophobicContact CG-CB 4.3Å; M282-N286 WeakPolarHBondContact O-CB 3.31Å; M282-N286 PolarHBondContact O-N 3.47Å; N286-S288 PolarHBondContact OD1-N 3.37Å; N286-I289 WeakPolarHBondContact OD1-CG1 3.35Å; N286-I289 PolarHBondContact OD1-N 3.4Å; N286-T316 PolarHBondContact O-OG1 2.98Å
287A94.4Very high96.8Very high72 Ų7235.2 Ų35.260%0.59519%0.191SC*.SBendtrans-105.117.1-178.100000114.2E285 T316E285-A287 PolarHBondContact O-N 2.87Å; A287-T316 HydrophobicContact CB-CG2 4.38Å; A287-T316 WeakPolarHBondContact O-CG2 3.46Å
288S96.3Very high96.7Very high20 Ų2036 Ų3614%0.1419%0.189CC..SBendtrans-126.3-34.1-169.1-65.90000114.7T259 V261 R262 N286 T290T259-S288 VanDerWaalsContact C-OG 3.24Å; T259-S288 WeakPolarHBondContact CA-OG 3.33Å; T259-S288 VanDerWaalsContact O-CB 3.26Å; T259-S288 WeakPolarHBondContact O-CB 3.3Å; T259-S288 PolarHBondContact O-OG 3.39Å; V261-S288 CarbonylContact O-C 3.53Å; R262-S288 WeakPolarHBondContact CD-O 3.49Å; N286-S288 PolarHBondContact OD1-N 3.37Å; S288-T290 PolarHBondContact O-N 2.89Å
289I97.6Very high96.6Very high1 Ų135.5 Ų35.51%0.00518%0.184CC..  trans-69.7121.4-178.8-63.4167.5000109.5L255 V261 M282 N286 T316 L317L255-I289 HydrophobicContact CB-CD1 4.29Å; L255-I289 HydrophobicContact CD1-CD1 4.31Å; L255-I289 HydrophobicContact CD2-CD1 4.36Å; V261-I289 HydrophobicContact CG1-CG1 4.4Å; V261-I289 PolarHBondContact O-N 3.2Å; M282-I289 HydrophobicContact CE-CD1 3.66Å; M282-I289 HydrophobicContact SD-CD1 3.77Å; N286-I289 WeakPolarHBondContact OD1-CG1 3.35Å; N286-I289 PolarHBondContact OD1-N 3.4Å; I289-T316 CarbonylContact O-C 3.59Å; I289-L317 HydrophobicContact CG2-CD1 3.88Å; I289-L317 WeakPolarHBondContact O-CA 3.37Å; I289-L317 PolarHBondContact O-N 3.39Å
290T97.7Very high96.4Very high43 Ų4336.6 Ų36.626%0.26419%0.192SC..  trans-104.2-22.1-179.161.40000113.1R262 S288 T318 E319R262-T290 PolarHBondContact O-N 3.3Å; R262-T290 PolarHBondContact O-OG1 3.47Å; S288-T290 PolarHBondContact O-N 2.89Å; T290-T318 WeakPolarHBondContact O-CA 3.32Å; T290-T318 PolarHBondContact O-N 3.01Å; T290-T318 PolarHBondContact O-OG1 2.93Å; T290-E319 PolarHBondContact O-N 3.26Å
291S98.1Very high96.3Very high17 Ų1736.9 Ų36.912%0.11920%0.196CC..EExtended strand (participates in β ladder)trans-139.7125.7179179.80000110.7R262 I263 F264 E319R262-S291 PolarHBondContact O-N 2.94Å; R262-S291 VanDerWaalsContact O-N 3.15Å; I263-S291 WeakPolarHBondContact CA-O 3.34Å; F264-S291 PolarHBondContact N-O 3.13Å; S291-E319 WeakPolarHBondContact CA-O 3.46Å
292L98.1Very high96.2Very high0 Ų038.9 Ų38.90%021%0.205CC..EExtended strand (participates in β ladder)trans-122.5128.4176.5173.960.5000110.3F264 L266 I279 L283 I294 L317 E319 L320 R321F264-L292 HydrophobicContact CB-CD1 4.28Å; F264-L292 HydrophobicContact CD1-CD1 3.73Å; F264-L292 HydrophobicContact CG-CD1 4.31Å; F264-L292 WeakPolarHBondContact O-CA 3.5Å; L266-L292 HydrophobicContact CD2-CD1 4.31Å; I279-L292 HydrophobicContact CG2-CD1 4.2Å; I279-L292 HydrophobicContact CG2-CD2 3.51Å; L283-L292 HydrophobicContact CD1-CD2 3.83Å; L283-L292 HydrophobicContact CD2-CD2 4.19Å; L283-L292 HydrophobicContact CG-CD2 4.28Å; L292-I294 HydrophobicContact CD1-CG2 4.18Å; L292-L317 HydrophobicContact CB-CD1 3.86Å; L292-L317 HydrophobicContact CB-CD2 4.49Å; L292-E319 PolarHBondContact N-O 3.43Å; L292-L320 HydrophobicContact CB-CD1 4.23Å; L292-L320 HydrophobicContact CD2-CD1 3.81Å; L292-L320 HydrophobicContact CG-CD1 3.97Å; L292-L320 CarbonylContact O-C 3.36Å; L292-L320 WeakPolarHBondContact O-CA 3.48Å; L292-R321 PolarHBondContact O-N 3.17Å
293N97.8Very high96.2Very high16 Ų1639 Ų399%0.08621%0.206CC..EExtended strand (participates in β ladder)trans-127.6118.9179.1-177.116.4000112.4F264 S265 L266 E295F264-N293 PolarHBondContact O-N 3.04Å; S265-N293 WeakPolarHBondContact OG-CB 3.45Å; S265-N293 PolarHBondContact OG-ND2 3.4Å; L266-N293 PolarHBondContact N-O 3.02Å; N293-E295 PolarHBondContact ND2-OE2 3.45Å; N293-E295 VanDerWaalsContact OD1-CB 3.28Å; N293-E295 WeakPolarHBondContact OD1-CB 3.37Å; N293-E295 VanDerWaalsContact OD1-CD 3.24Å; N293-E295 WeakPolarHBondContact OD1-CG 3.44Å; N293-E295 PolarHBondContact OD1-N 2.91Å; N293-E295 PolarHBondContact OD1-OE2 2.92Å
294I96.4Very high96.1Very high3 Ų339 Ų392%0.01521%0.206CC..  trans-126.526.8176.363172.8000111.7L266 I279 L292 N297 V299 L307 R321 F322 Q325L266-I294 HydrophobicContact CD1-CG2 4.24Å; L266-I294 HydrophobicContact CD2-CG2 3.71Å; L266-I294 HydrophobicContact CG-CG2 3.91Å; I279-I294 HydrophobicContact CD1-CG2 4.21Å; L292-I294 HydrophobicContact CD1-CG2 4.18Å; I294-N297 VanDerWaalsContact C-ND2 3.33Å; I294-N297 PolarHBondContact O-ND2 2.77Å; I294-V299 HydrophobicContact CD1-CG2 4.4Å; I294-L307 HydrophobicContact CD1-CD1 3.29Å; I294-R321 VanDerWaalsContact CG1-O 3.27Å; I294-R321 WeakPolarHBondContact CG1-O 3.29Å; I294-R321 PolarHBondContact N-O 2.91Å; I294-F322 HydrophobicContact CD1-CB 3.94Å; I294-F322 HydrophobicContact CG1-CB 3.63Å; I294-Q325 PolarHBondContact O-NE2 3.15Å
295E95.9Very high96.2Very high43 Ų4333.6 Ų33.620%0.20118%0.183CC..  trans-55.9151.1178.3-73.8166.8168.600113.7A267 N268 N293 N297 R321 H323A267-E295 CarbonylContact C-O 3.57Å; A267-E295 WeakPolarHBondContact CA-O 3.38Å; A267-E295 HydrophobicContact CB-CB 4.07Å; A267-E295 WeakPolarHBondContact CB-O 3.32Å; N268-E295 PolarHBondContact N-O 3.48Å; N293-E295 PolarHBondContact ND2-OE2 3.45Å; N293-E295 VanDerWaalsContact OD1-CB 3.28Å; N293-E295 WeakPolarHBondContact OD1-CB 3.37Å; N293-E295 VanDerWaalsContact OD1-CD 3.24Å; N293-E295 WeakPolarHBondContact OD1-CG 3.44Å; N293-E295 PolarHBondContact OD1-N 2.91Å; N293-E295 PolarHBondContact OD1-OE2 2.92Å; E295-N297 PolarHBondContact O-N 2.9Å; E295-N297 PolarHBondContact O-ND2 2.92Å; E295-R321 HydrophobicContact CG-CB 3.93Å; E295-R321 VanDerWaalsContact OE1-CB 3.31Å; E295-R321 WeakPolarHBondContact OE1-CB 3.18Å; E295-R321 VanDerWaalsContact OE1-CD 3.28Å; E295-R321 WeakPolarHBondContact OE1-CD 3.47Å; E295-H323 CarbonylContact C-O 3.6Å; E295-H323 WeakPolarHBondContact CA-O 3.44Å; E295-H323 HydrophobicContact CG-CB 4.08Å; E295-H323 IonicContact OE1-CD2 3.43Å
296S95.2Very high96.3Very high43 Ų4329.7 Ų29.730%0.30117%0.168SC..SBendtrans58.143.4174.5-58.20000114.9N268 H323 N324N268-S296 WeakPolarHBondContact CA-O 3.49Å; S296-H323 PolarHBondContact N-O 3.48Å; S296-N324 WeakPolarHBondContact CA-O 3.44Å; S296-N324 PolarHBondContact OG-ND2 3.14Å
297N95.9Very high96.3Very high1 Ų129.4 Ų29.41%0.00517%0.167CC..SBendtrans-120.2-169.7-179.5-77.4-51.1000112.1L266 T269 R270 A271 I294 E295 V299 Q325 R326L266-N297 PolarHBondContact O-ND2 2.94Å; T269-N297 PolarHBondContact N-OD1 3.49Å; T269-N297 PolarHBondContact OG1-OD1 3.19Å; R270-N297 PolarHBondContact N-OD1 3.08Å; A271-N297 HydrophobicContact CB-CB 4.15Å; A271-N297 PolarHBondContact N-OD1 3.1Å; A271-N297 VanDerWaalsContact N-OD1 3.14Å; I294-N297 VanDerWaalsContact C-ND2 3.33Å; I294-N297 PolarHBondContact O-ND2 2.77Å; E295-N297 PolarHBondContact O-N 2.9Å; E295-N297 PolarHBondContact O-ND2 2.92Å; N297-V299 HydrophobicContact CB-CG2 4.26Å; N297-Q325 WeakPolarHBondContact O-CA 3.45Å; N297-Q325 PolarHBondContact O-OE1 3.38Å; N297-R326 PolarHBondContact O-N 3.49Å; N297-R326 VanDerWaalsContact O-N 3.08Å
298Y95.6Very high96.4Very high103 Ų10326 Ų2640%0.40414%0.139SC..  trans-105.620.1-177.3-56.8-32.9000113.1R270 A271 R326R270-Y298 HydrophobicContact CB-CD2 3.99Å; R270-Y298 HydrophobicContact CB-CE2 3.64Å; R270-Y298 HydrophobicContact CG-CE2 3.92Å; R270-Y298 WeakPolarHBondContact O-CD2 3.5Å; A271-Y298 CarbonylContact O-C 3.55Å; A271-Y298 WeakPolarHBondContact O-CA 3.14Å; A271-Y298 PolarHBondContact O-N 3.02Å; Y298-R326 HydrophobicContact CD1-CB 3.71Å; Y298-R326 HydrophobicContact CD1-CG 4.3Å; Y298-R326 HydrophobicContact CE1-CB 4.32Å
299V95.6Very high96.4Very high2 Ų230.1 Ų30.11%0.01216%0.156CC..  trans-70130.1178.9-169.40000110A276 I294 N297 V304 Q325A276-V299 HydrophobicContact CB-CG1 3.56Å; A276-V299 HydrophobicContact CB-CG2 4.21Å; I294-V299 HydrophobicContact CD1-CG2 4.4Å; N297-V299 HydrophobicContact CB-CG2 4.26Å; V299-V304 HydrophobicContact CG1-CG2 4.08Å; V299-Q325 HydrophobicContact CB-CG 4.45Å; V299-Q325 WeakPolarHBondContact O-CB 3.43Å
300S95.2Very high96.3Very high25 Ų2530.1 Ų30.118%0.17516%0.155CC..  trans-90.9178.6178.192.20000111.6D273 K302 G303 V304D273-S300 PolarHBondContact OD1-N 3.26Å; D273-S300 PolarHBondContact OD1-OG 3.09Å; D273-S300 VanDerWaalsContact OD2-CB 3.32Å; D273-S300 WeakPolarHBondContact OD2-CB 3.36Å; D273-S300 PolarHBondContact OD2-OG 3.15Å; S300-K302 PolarHBondContact O-N 3.02Å; S300-K302 VanDerWaalsContact O-N 3.1Å; S300-K302 WeakPolarHBondContact OG-CB 3.2Å; S300-K302 PolarHBondContact OG-N 2.92Å; S300-G303 PolarHBondContact O-N 2.96Å; S300-V304 WeakPolarHBondContact O-CG2 3.29Å; S300-V304 PolarHBondContact O-N 3.45Å
301G95.1Very high96.2Very high13 Ų1328.1 Ų28.113%0.13414%0.143CC..Hα-helixtrans-55.9-2317000000113.9M305G301-M305 WeakPolarHBondContact O-CB 3.22Å; G301-M305 VanDerWaalsContact O-CG 3.25Å; G301-M305 WeakPolarHBondContact O-CG 3.39Å; G301-M305 PolarHBondContact O-N 3.08Å
302K94.8Very high96Very high169 Ų16929.6 Ų29.674%0.73515%0.152SC*.Hα-helixtrans-72.3-51.5175.5-64.2180178.2179.10111.7S300 V304 M305 A306S300-K302 PolarHBondContact O-N 3.02Å; S300-K302 VanDerWaalsContact O-N 3.1Å; S300-K302 WeakPolarHBondContact OG-CB 3.2Å; S300-K302 PolarHBondContact OG-N 2.92Å; K302-V304 VanDerWaalsContact C-N 3.34Å; K302-V304 PolarHBondContact O-N 3.35Å; K302-M305 PolarHBondContact O-N 2.87Å; K302-M305 VanDerWaalsContact O-N 3.15Å; K302-A306 PolarHBondContact O-N 3.34Å
303G95.8Very high95.5Very high2 Ų232.8 Ų32.82%0.02119%0.185CC..Hα-helixtrans-63.2-38.8176.300000112.5D273 S300 M305 A306 L307D273-G303 VanDerWaalsContact OD1-CA 3.24Å; D273-G303 WeakPolarHBondContact OD1-CA 3.38Å; D273-G303 PolarHBondContact OD1-N 3.3Å; S300-G303 PolarHBondContact O-N 2.96Å; G303-M305 VanDerWaalsContact C-N 3.33Å; G303-M305 PolarHBondContact O-N 3.06Å; G303-A306 PolarHBondContact O-N 3.41Å; G303-L307 WeakPolarHBondContact O-CG 3.41Å; G303-L307 PolarHBondContact O-N 2.75Å
304V96.5Very high95.4Very high1 Ų132.6 Ų32.61%0.00618%0.184CC..Hα-helixtrans-61.4-39.7172.3173.50000111.7V299 S300 K302 L307 V308 F322 M337V299-V304 HydrophobicContact CG1-CG2 4.08Å; S300-V304 WeakPolarHBondContact O-CG2 3.29Å; S300-V304 PolarHBondContact O-N 3.45Å; K302-V304 VanDerWaalsContact C-N 3.34Å; K302-V304 PolarHBondContact O-N 3.35Å; V304-L307 PolarHBondContact O-N 2.96Å; V304-V308 HydrophobicContact CG1-CG2 4.44Å; V304-V308 WeakPolarHBondContact O-CG2 3.48Å; V304-V308 PolarHBondContact O-N 3.34Å; V304-F322 HydrophobicContact CB-CE2 4.47Å; V304-F322 HydrophobicContact CG1-CD2 4.11Å; V304-F322 HydrophobicContact CG1-CE1 4.39Å; V304-F322 HydrophobicContact CG1-CE2 3.5Å; V304-F322 HydrophobicContact CG1-CZ 3.68Å; V304-F322 HydrophobicContact CG2-CD2 3.82Å; V304-F322 HydrophobicContact CG2-CE2 4.05Å; V304-F322 HydrophobicContact CG2-CG 4.38Å; V304-M337 HydrophobicContact CG1-SD 4.45Å
305M96.6Very high95.3Very high22 Ų2237.3 Ų37.311%0.10821%0.209CC..Hα-helixtrans-67.6-39.6174.1-76.7-62.794.300113.5G301 K302 G303 L307 V308 Q309 V333 E336 M337 I340G301-M305 WeakPolarHBondContact O-CB 3.22Å; G301-M305 VanDerWaalsContact O-CG 3.25Å; G301-M305 WeakPolarHBondContact O-CG 3.39Å; G301-M305 PolarHBondContact O-N 3.08Å; K302-M305 PolarHBondContact O-N 2.87Å; K302-M305 VanDerWaalsContact O-N 3.15Å; G303-M305 VanDerWaalsContact C-N 3.33Å; G303-M305 PolarHBondContact O-N 3.06Å; M305-L307 VanDerWaalsContact C-N 3.31Å; M305-L307 PolarHBondContact O-N 3.42Å; M305-V308 HydrophobicContact CE-CB 4.03Å; M305-V308 HydrophobicContact CE-CG1 4.36Å; M305-V308 HydrophobicContact CE-CG2 4.11Å; M305-V308 PolarHBondContact O-N 2.84Å; M305-Q309 VanDerWaalsContact O-CB 3.29Å; M305-Q309 WeakPolarHBondContact O-CB 3.45Å; M305-Q309 WeakPolarHBondContact O-CG 3.32Å; M305-Q309 PolarHBondContact O-N 3.25Å; M305-V333 HydrophobicContact CE-CG1 3.67Å; M305-V333 HydrophobicContact CG-CG1 3.87Å; M305-V333 HydrophobicContact CG-CG2 4.5Å; M305-V333 HydrophobicContact SD-CG1 4.16Å; M305-E336 HydrophobicContact SD-CB 4.33Å; M305-E336 HydrophobicContact SD-CG 4.44Å; M305-M337 HydrophobicContact CE-CB 3.57Å; M305-M337 HydrophobicContact CE-CG 4.31Å; M305-I340 HydrophobicContact SD-CD1 4.44Å
306A96.9Very high95.3Very high21 Ų2137 Ų3717%0.17421%0.211CC..Hα-helixtrans-57.2-46.9173.900000111.1A280 K302 G303 Q309 A310A280-A306 VanDerWaalsContact CB-C 3.43Å; A280-A306 HydrophobicContact CB-CB 3.91Å; A280-A306 VanDerWaalsContact CB-O 3.31Å; A280-A306 WeakPolarHBondContact CB-O 3.32Å; K302-A306 PolarHBondContact O-N 3.34Å; G303-A306 PolarHBondContact O-N 3.41Å; A306-Q309 PolarHBondContact O-N 3.02Å; A306-A310 PolarHBondContact O-N 3.22Å
307L96.8Very high95.4Very high1 Ų135 Ų351%0.00520%0.197CC..Hα-helixtrans-61.6-46.5176.8-70164000112.3A276 I279 A280 L283 I294 G303 V304 M305 Q309 A310A276-L307 HydrophobicContact CB-CD1 3.96Å; A276-L307 HydrophobicContact CB-CG 4.32Å; A276-L307 WeakPolarHBondContact O-CD2 3.41Å; I279-L307 HydrophobicContact CB-CD2 3.92Å; I279-L307 HydrophobicContact CG2-CD2 3.56Å; A280-L307 HydrophobicContact CB-CD2 4.22Å; A280-L307 HydrophobicContact CB-CG 4.47Å; L283-L307 HydrophobicContact CD1-CD2 3.94Å; I294-L307 HydrophobicContact CD1-CD1 3.29Å; G303-L307 WeakPolarHBondContact O-CG 3.41Å; G303-L307 PolarHBondContact O-N 2.75Å; V304-L307 PolarHBondContact O-N 2.96Å; M305-L307 VanDerWaalsContact C-N 3.31Å; M305-L307 PolarHBondContact O-N 3.42Å; L307-Q309 VanDerWaalsContact C-N 3.35Å; L307-Q309 PolarHBondContact O-N 3.22Å; L307-A310 WeakPolarHBondContact O-CB 3.47Å; L307-A310 PolarHBondContact O-N 3.31Å; L307-A310 VanDerWaalsContact O-N 3.1Å
308V96.4Very high95.5Very high0 Ų036.7 Ų36.70%021%0.207CC..Hα-helixtrans-66.4-36.8179.5171.30000111.8V304 M305 A310 L311 P312 M337 I340 L341V304-V308 HydrophobicContact CG1-CG2 4.44Å; V304-V308 WeakPolarHBondContact O-CG2 3.48Å; V304-V308 PolarHBondContact O-N 3.34Å; M305-V308 HydrophobicContact CE-CB 4.03Å; M305-V308 HydrophobicContact CE-CG1 4.36Å; M305-V308 HydrophobicContact CE-CG2 4.11Å; M305-V308 PolarHBondContact O-N 2.84Å; V308-A310 PolarHBondContact O-N 3.4Å; V308-L311 WeakPolarHBondContact O-CB 3.39Å; V308-L311 PolarHBondContact O-N 2.81Å; V308-L311 VanDerWaalsContact O-N 3.1Å; V308-P312 VanDerWaalsContact O-CD 3.28Å; V308-P312 WeakPolarHBondContact O-CD 3.32Å; V308-M337 HydrophobicContact CG1-CG 4.22Å; V308-M337 HydrophobicContact CG2-CG 4.03Å; V308-M337 HydrophobicContact CG2-SD 3.81Å; V308-I340 HydrophobicContact CG1-CB 3.95Å; V308-I340 HydrophobicContact CG1-CD1 4.14Å; V308-I340 HydrophobicContact CG1-CG2 3.84Å; V308-L341 HydrophobicContact CG1-CD1 4.28Å; V308-L341 HydrophobicContact CG1-CD2 4.28Å; V308-L341 HydrophobicContact CG1-CG 3.91Å
309Q96.4Very high95.6Very high107 Ų10733.2 Ų33.250%0.519%0.194SC..THydrogen-bonded Turntrans-69-5.6173.6-70.91740.300114K284 M305 A306 L307 I340K284-Q309 WeakPolarHBondContact CE-O 3.18Å; M305-Q309 VanDerWaalsContact O-CB 3.29Å; M305-Q309 WeakPolarHBondContact O-CB 3.45Å; M305-Q309 WeakPolarHBondContact O-CG 3.32Å; M305-Q309 PolarHBondContact O-N 3.25Å; A306-Q309 PolarHBondContact O-N 3.02Å; L307-Q309 VanDerWaalsContact C-N 3.35Å; L307-Q309 PolarHBondContact O-N 3.22Å; Q309-I340 HydrophobicContact CG-CD1 3.76Å
310A96Very high95.7Very high0 Ų033.1 Ų33.10%019%0.194CC..THydrogen-bonded Turntrans-93-11.3170.300000113.9A280 L283 K284 A306 L307 V308A280-A310 HydrophobicContact CB-CB 4.32Å; A280-A310 WeakPolarHBondContact O-CB 3.42Å; L283-A310 HydrophobicContact CB-CB 3.78Å; L283-A310 HydrophobicContact CD1-CB 4.46Å; K284-A310 HydrophobicContact CD-CB 4.5Å; K284-A310 HydrophobicContact CG-CB 3.77Å; A306-A310 PolarHBondContact O-N 3.22Å; L307-A310 WeakPolarHBondContact O-CB 3.47Å; L307-A310 PolarHBondContact O-N 3.31Å; L307-A310 VanDerWaalsContact O-N 3.1Å; V308-A310 PolarHBondContact O-N 3.4Å
311L96Very high95.8Very high1 Ų136.1 Ų36.11%0.00520%0.201CC..SBendtrans-83.6-25.6-176.1-59.1177.6000115.4L283 V308 G313 N314 L317 L320 L341 N344 L347L283-L311 HydrophobicContact CD1-CD2 4.29Å; V308-L311 WeakPolarHBondContact O-CB 3.39Å; V308-L311 PolarHBondContact O-N 2.81Å; V308-L311 VanDerWaalsContact O-N 3.1Å; L311-G313 PolarHBondContact O-N 2.94Å; L311-N314 PolarHBondContact O-N 2.97Å; L311-L317 HydrophobicContact CD2-CD2 3.58Å; L311-L320 HydrophobicContact CD1-CD2 3.84Å; L311-L341 HydrophobicContact CB-CD2 4.2Å; L311-L341 HydrophobicContact CD1-CD2 3.66Å; L311-N344 PolarHBondContact O-ND2 3.49Å; L311-L347 HydrophobicContact CD1-CD2 4.45Å
312P94Very high95.8Very high48 Ų4835.6 Ų35.631%0.31220%0.195SC..SBendtrans-60.9123.7161.2-23.334.7000110V308 N314 I340V308-P312 VanDerWaalsContact O-CD 3.28Å; V308-P312 WeakPolarHBondContact O-CD 3.32Å; P312-N314 VanDerWaalsContact C-N 3.35Å; P312-N314 PolarHBondContact O-N 3.47Å; P312-I340 HydrophobicContact CG-CG2 3.48Å; P312-I340 VanDerWaalsContact CG-CG2 3.48Å
313G87.6Confident95.8Very high67 Ų6730.9 Ų30.969%0.69118%0.176SC*.SBendtrans91.6-31.4-175.300000114.8L311 N315L311-G313 PolarHBondContact O-N 2.94Å; G313-N315 PolarHBondContact O-N 3.48Å; G313-N315 PolarHBondContact O-ND2 3.31Å
314N94.5Very high95.7Very high12 Ų1236.6 Ų36.66%0.06421%0.206CC..  trans-67.7119.4173-175.5-66.6000110.7L283 L311 P312 T316 L317 N344 T346L283-N314 PolarHBondContact O-ND2 2.75Å; L311-N314 PolarHBondContact O-N 2.97Å; P312-N314 VanDerWaalsContact C-N 3.35Å; P312-N314 PolarHBondContact O-N 3.47Å; N314-T316 PolarHBondContact ND2-OG1 2.85Å; N314-T316 PolarHBondContact OD1-N 3.08Å; N314-T316 PolarHBondContact OD1-OG1 3.29Å; N314-L317 WeakPolarHBondContact OD1-CB 3.31Å; N314-L317 PolarHBondContact OD1-N 3.08Å; N314-N344 PolarHBondContact O-ND2 3.01Å; N314-T346 PolarHBondContact O-OG1 3.09Å
315N94.3Very high95.6Very high102 Ų10237.8 Ų37.855%0.54521%0.212SC..  trans-106.38.8-175-80.4-69.3000114.3G313 H345 T346G313-N315 PolarHBondContact O-N 3.48Å; G313-N315 PolarHBondContact O-ND2 3.31Å; N315-H345 PolarHBondContact OD1-CE1 2.81Å; N315-H345 VanDerWaalsContact OD1-CE1 3.24Å; N315-T346 HydrophobicContact CB-CG2 4.3Å
316T96Very high95.2Very high38 Ų3844.9 Ų44.923%0.23324%0.237CC..SBendtrans-126.8-33.2-162.547.60000112.9N286 A287 I289 N314 T318N286-T316 PolarHBondContact O-OG1 2.98Å; A287-T316 HydrophobicContact CB-CG2 4.38Å; A287-T316 WeakPolarHBondContact O-CG2 3.46Å; I289-T316 CarbonylContact O-C 3.59Å; N314-T316 PolarHBondContact ND2-OG1 2.85Å; N314-T316 PolarHBondContact OD1-N 3.08Å; N314-T316 PolarHBondContact OD1-OG1 3.29Å; T316-T318 PolarHBondContact O-N 2.76Å
317L97.4Very high94.5Very high1 Ų148.6 Ų48.61%0.00525%0.25CS..  trans-71123176.2-162.874.9000111.1L283 I289 L292 L311 N314 L320 T346 L347L283-L317 HydrophobicContact CD1-CD2 4.46Å; L283-L317 HydrophobicContact CD2-CD1 4.28Å; L283-L317 HydrophobicContact CD2-CD2 4Å; I289-L317 HydrophobicContact CG2-CD1 3.88Å; I289-L317 WeakPolarHBondContact O-CA 3.37Å; I289-L317 PolarHBondContact O-N 3.39Å; L292-L317 HydrophobicContact CB-CD1 3.86Å; L292-L317 HydrophobicContact CB-CD2 4.49Å; L311-L317 HydrophobicContact CD2-CD2 3.58Å; N314-L317 WeakPolarHBondContact OD1-CB 3.31Å; N314-L317 PolarHBondContact OD1-N 3.08Å; L317-L320 HydrophobicContact CD2-CB 4Å; L317-T346 CarbonylContact O-C 3.52Å; L317-L347 HydrophobicContact CD2-CD1 4.45Å
318T97.1Very high93.8Very high35 Ų3556 Ų5622%0.21529%0.287CS..  trans-111.1-26.3-179.465.40000113.1T290 T316 I348 K349T290-T318 WeakPolarHBondContact O-CA 3.32Å; T290-T318 PolarHBondContact O-N 3.01Å; T290-T318 PolarHBondContact O-OG1 2.93Å; T316-T318 PolarHBondContact O-N 2.76Å; T318-I348 HydrophobicContact CG2-CD1 4.05Å; T318-I348 HydrophobicContact CG2-CG1 4.37Å; T318-I348 PolarHBondContact O-N 3.01Å; T318-K349 PolarHBondContact O-N 3.09Å
319E97.9Very high93Very high30 Ų3056.1 Ų56.114%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-129.6130.5174.7-52.2-165.1-165.100110.7T290 S291 L292 R321 K349T290-E319 PolarHBondContact O-N 3.26Å; S291-E319 WeakPolarHBondContact CA-O 3.46Å; L292-E319 PolarHBondContact N-O 3.43Å; E319-R321 IonicContact OE2-CZ 3.65Å; E319-R321 IonicContact OE2-NE 3.74Å; E319-R321 PolarHBondContact OE2-NE 3.4Å; E319-R321 IonicContact OE2-NH2 2.61Å; E319-R321 PolarHBondContact OE2-NH2 3.48Å; E319-K349 WeakPolarHBondContact CA-O 3.41Å; E319-K349 HydrophobicContact CB-CB 4.39Å; E319-K349 HydrophobicContact CG-CB 4.06Å; E319-K349 HydrophobicContact CG-CD 4.03Å; E319-K349 HydrophobicContact CG-CG 4.15Å; E319-K349 WeakPolarHBondContact OE1-CE 3.25Å; E319-K349 IonicContact OE1-NZ 3.13Å; E319-K349 PolarHBondContact OE1-NZ 2.97Å; E319-K349 IonicContact OE2-NZ 2.74Å
320L97.8Very high92.8Very high0 Ų053 Ų530%028%0.284CS..EExtended strand (participates in β ladder)trans-129.3126.2169.3170.159.3000107.9L292 L311 L317 F322 L347 K349 L350 G351L292-L320 HydrophobicContact CB-CD1 4.23Å; L292-L320 HydrophobicContact CD2-CD1 3.81Å; L292-L320 HydrophobicContact CG-CD1 3.97Å; L292-L320 CarbonylContact O-C 3.36Å; L292-L320 WeakPolarHBondContact O-CA 3.48Å; L311-L320 HydrophobicContact CD1-CD2 3.84Å; L317-L320 HydrophobicContact CD2-CB 4Å; L320-F322 HydrophobicContact CD1-CD1 4.33Å; L320-F322 HydrophobicContact CD2-CD1 4.26Å; L320-F322 HydrophobicContact CD2-CE1 3.99Å; L320-F322 HydrophobicContact CG-CD1 3.93Å; L320-F322 HydrophobicContact CG-CE1 4.05Å; L320-L347 HydrophobicContact CB-CD1 3.93Å; L320-K349 PolarHBondContact N-O 3.36Å; L320-K349 VanDerWaalsContact N-O 3.1Å; L320-L350 HydrophobicContact CD2-CD1 4.32Å; L320-L350 CarbonylContact O-C 3.5Å; L320-L350 WeakPolarHBondContact O-CA 3.43Å; L320-G351 PolarHBondContact O-N 2.92Å
321R97.6Very high92.7Very high88 Ų8854.3 Ų54.333%0.33230%0.298SS..EExtended strand (participates in β ladder)trans-128.9134179.3-46.7-172.3-166161.77.3112.5L292 I294 E295 E319L292-R321 PolarHBondContact O-N 3.17Å; I294-R321 VanDerWaalsContact CG1-O 3.27Å; I294-R321 WeakPolarHBondContact CG1-O 3.29Å; I294-R321 PolarHBondContact N-O 2.91Å; E295-R321 HydrophobicContact CG-CB 3.93Å; E295-R321 VanDerWaalsContact OE1-CB 3.31Å; E295-R321 WeakPolarHBondContact OE1-CB 3.18Å; E295-R321 VanDerWaalsContact OE1-CD 3.28Å; E295-R321 WeakPolarHBondContact OE1-CD 3.47Å; E319-R321 IonicContact OE2-CZ 3.65Å; E319-R321 IonicContact OE2-NE 3.74Å; E319-R321 PolarHBondContact OE2-NE 3.4Å; E319-R321 IonicContact OE2-NH2 2.61Å; E319-R321 PolarHBondContact OE2-NH2 3.48Å
322F95.8Very high92.6Very high2 Ų261.4 Ų61.41%0.00933%0.331CS..  trans-149.633.3179.155.3-90.1000112I294 V304 L320 Q325 M337 L350 G351 Y352I294-F322 HydrophobicContact CD1-CB 3.94Å; I294-F322 HydrophobicContact CG1-CB 3.63Å; V304-F322 HydrophobicContact CB-CE2 4.47Å; V304-F322 HydrophobicContact CG1-CD2 4.11Å; V304-F322 HydrophobicContact CG1-CE1 4.39Å; V304-F322 HydrophobicContact CG1-CE2 3.5Å; V304-F322 HydrophobicContact CG1-CZ 3.68Å; V304-F322 HydrophobicContact CG2-CD2 3.82Å; V304-F322 HydrophobicContact CG2-CE2 4.05Å; V304-F322 HydrophobicContact CG2-CG 4.38Å; L320-F322 HydrophobicContact CD1-CD1 4.33Å; L320-F322 HydrophobicContact CD2-CD1 4.26Å; L320-F322 HydrophobicContact CD2-CE1 3.99Å; L320-F322 HydrophobicContact CG-CD1 3.93Å; L320-F322 HydrophobicContact CG-CE1 4.05Å; F322-Q325 WeakPolarHBondContact O-CG 3.36Å; F322-Q325 PolarHBondContact O-NE2 2.8Å; F322-M337 HydrophobicContact CZ-CE 4.24Å; F322-M337 HydrophobicContact CZ-SD 3.75Å; F322-L350 HydrophobicContact CE1-CD1 3.77Å; F322-L350 HydrophobicContact CE1-CG 4.26Å; F322-L350 HydrophobicContact CZ-CD1 4.23Å; F322-L350 HydrophobicContact CZ-CD2 4.45Å; F322-L350 HydrophobicContact CZ-CG 4.45Å; F322-G351 CarbonylContact C-O 3.52Å; F322-G351 PolarHBondContact N-O 3.08Å; F322-Y352 AromaticContact CD2-CD2 3.68Å; F322-Y352 HydrophobicContact CD2-CD2 3.68Å; F322-Y352 HydrophobicContact CD2-CE2 4.48Å; F322-Y352 HydrophobicContact CD2-CG 4.13Å; F322-Y352 HydrophobicContact CE2-CD1 4.21Å; F322-Y352 AromaticContact CE2-CD2 3.32Å; F322-Y352 HydrophobicContact CE2-CD2 3.32Å; F322-Y352 HydrophobicContact CE2-CE2 4.09Å; F322-Y352 AromaticContact CE2-CG 3.4Å; F322-Y352 HydrophobicContact CE2-CG 3.4Å; F322-Y352 VanDerWaalsContact CE2-CG 3.4Å; F322-Y352 HydrophobicContact CZ-CD1 4.49Å; F322-Y352 HydrophobicContact CZ-CD2 4.22Å; F322-Y352 AromaticContact CZ-CG 3.85Å; F322-Y352 HydrophobicContact CZ-CG 3.85Å
323H94.2Very high92.7Very high70 Ų7060.7 Ų60.732%0.32433%0.326SS..THydrogen-bonded Turntrans-55.8158.7170.1-70.2-77.3000112.1E295 S296 Q325 G351 Y352E295-H323 CarbonylContact C-O 3.6Å; E295-H323 WeakPolarHBondContact CA-O 3.44Å; E295-H323 HydrophobicContact CG-CB 4.08Å; E295-H323 IonicContact OE1-CD2 3.43Å; S296-H323 PolarHBondContact N-O 3.48Å; H323-Q325 VanDerWaalsContact C-N 3.33Å; H323-Q325 PolarHBondContact O-N 3.4Å; H323-Q325 PolarHBondContact O-NE2 2.93Å; H323-G351 PolarHBondContact CD2-O 3.28Å; H323-G351 VanDerWaalsContact CD2-O 3.29Å; H323-G351 PolarHBondContact N-O 3.44Å; H323-G351 VanDerWaalsContact N-O 3.11Å; H323-G351 WeakPolarHBondContact NE2-CA 3.31Å; H323-Y352 VanDerWaalsContact CE1-C 3.47Å; H323-Y352 PolarHBondContact CE1-N 2.97Å; H323-Y352 PolarHBondContact NE2-N 2.96Å
324N94.2Very high93.1Very high123 Ų12357.5 Ų57.566%0.65829%0.293SS*.THydrogen-bonded Turntrans60.231.4169.9-162.248.7000115.6S296S296-N324 WeakPolarHBondContact CA-O 3.44Å; S296-N324 PolarHBondContact OG-ND2 3.14Å
325Q94Very high93.2Very high26 Ų2661 Ų6112%0.12131%0.31CS..  trans-65.1147.2168.2-55.5-49.8-52.400111I294 N297 V299 F322 H323 H327I294-Q325 PolarHBondContact O-NE2 3.15Å; N297-Q325 WeakPolarHBondContact O-CA 3.45Å; N297-Q325 PolarHBondContact O-OE1 3.38Å; V299-Q325 HydrophobicContact CB-CG 4.45Å; V299-Q325 WeakPolarHBondContact O-CB 3.43Å; F322-Q325 WeakPolarHBondContact O-CG 3.36Å; F322-Q325 PolarHBondContact O-NE2 2.8Å; H323-Q325 VanDerWaalsContact C-N 3.33Å; H323-Q325 PolarHBondContact O-N 3.4Å; H323-Q325 PolarHBondContact O-NE2 2.93Å; Q325-H327 PolarHBondContact O-N 3.36Å; Q325-H327 VanDerWaalsContact O-N 3.14Å
326R88.7Confident93.3Very high171 Ų17159.5 Ų59.565%0.64530%0.3SS*.SBendtrans-56.8-26.7176.9177.4180-177178.10.7114.4N297 Y298N297-R326 PolarHBondContact O-N 3.49Å; N297-R326 VanDerWaalsContact O-N 3.08Å; Y298-R326 HydrophobicContact CD1-CB 3.71Å; Y298-R326 HydrophobicContact CD1-CG 4.3Å; Y298-R326 HydrophobicContact CE1-CB 4.32Å
327H82.9Confident93.4Very high98 Ų9857.7 Ų57.745%0.45429%0.289SS..SBendtrans-118.4131.9179.5-62.1-78.5000110.4Q325 C329Q325-H327 PolarHBondContact O-N 3.36Å; Q325-H327 VanDerWaalsContact O-N 3.14Å; H327-C329 PolarHBondContact O-N 3.01Å
328M80.5Confident93.4Very high156 Ų15658 Ų5877%0.76829%0.291SS*.PPolyproline II helixtrans-64.9134.5173.4-58-161.6-53.100110.1G330M328-G330 PolarHBondContact O-N 2.82Å
329C79.9Confident93.4Very high3 Ų362.4 Ų62.42%0.0231%0.307CS..PPolyproline II helixtrans-66.8116.2164.1-64.40000108.1H327 V333 Y352H327-C329 PolarHBondContact O-N 3.01Å; C329-V333 HydrophobicContact CB-CB 4.3Å; C329-V333 HydrophobicContact CB-CG1 3.89Å; C329-Y352 HydrophobicContact CB-CE2 4.49Å
330G91.9Very high93.3Very high41 Ų4162 Ų6242%0.42331%0.305SS..PPolyproline II helixtrans-64.6158.4-178.800000112.5M328 Q332 V333 E334M328-G330 PolarHBondContact O-N 2.82Å; G330-Q332 PolarHBondContact O-N 2.72Å; G330-V333 WeakPolarHBondContact O-CA 3.32Å; G330-V333 VanDerWaalsContact O-CB 3.3Å; G330-V333 WeakPolarHBondContact O-CB 3.45Å; G330-V333 PolarHBondContact O-N 3.14Å; G330-E334 PolarHBondContact O-N 3.13Å; G330-E334 VanDerWaalsContact O-N 3.16Å
331G94.6Very high93.3Very high29 Ų2962 Ų6230%0.29931%0.305SS..Hα-helixtrans-54.1-32-173.200000115.5E334 M335G331-E334 PolarHBondContact O-N 2.77Å; G331-M335 WeakPolarHBondContact O-CG 3.49Å; G331-M335 PolarHBondContact O-N 3.01Å; G331-M335 VanDerWaalsContact O-N 3.09Å
332Q94.4Very high93.2Very high149 Ų14964.9 Ų64.970%0.69632%0.316SS*.Hα-helixtrans-64.7-40.4174-59-62.6-1000112.3G330 M335 E336G330-Q332 PolarHBondContact O-N 2.72Å; Q332-M335 PolarHBondContact O-N 3.22Å; Q332-E336 PolarHBondContact O-N 2.92Å
333V96.1Very high93.1Very high33 Ų3371.7 Ų71.720%0.235%0.348CS..Hα-helixtrans-65.6-39.3175.1174.30000110.7M305 C329 G330 M335 M337M305-V333 HydrophobicContact CE-CG1 3.67Å; M305-V333 HydrophobicContact CG-CG1 3.87Å; M305-V333 HydrophobicContact CG-CG2 4.5Å; M305-V333 HydrophobicContact SD-CG1 4.16Å; C329-V333 HydrophobicContact CB-CB 4.3Å; C329-V333 HydrophobicContact CB-CG1 3.89Å; G330-V333 WeakPolarHBondContact O-CA 3.32Å; G330-V333 VanDerWaalsContact O-CB 3.3Å; G330-V333 WeakPolarHBondContact O-CB 3.45Å; G330-V333 PolarHBondContact O-N 3.14Å; V333-M335 VanDerWaalsContact C-N 3.35Å; V333-M335 PolarHBondContact O-N 2.65Å; V333-M337 WeakPolarHBondContact O-CB 3.46Å; V333-M337 PolarHBondContact O-N 3.45Å
334E96.3Very high93.1Very high1 Ų168.8 Ų68.81%0.00534%0.335CS..Hα-helixtrans-63-38.2174.6-68.6-169.5-168.500113G330 G331 V338 Y352 F354 N355 L356 P359G330-E334 PolarHBondContact O-N 3.13Å; G330-E334 VanDerWaalsContact O-N 3.16Å; G331-E334 PolarHBondContact O-N 2.77Å; E334-V338 WeakPolarHBondContact O-CG2 3.47Å; E334-V338 PolarHBondContact O-N 3.5Å; E334-Y352 HydrophobicContact CG-CE1 4.11Å; E334-Y352 PolarHBondContact OE1-OH 3.26Å; E334-Y352 VanDerWaalsContact OE1-OH 3.08Å; E334-F354 HydrophobicContact CB-CD1 4Å; E334-F354 HydrophobicContact CB-CE1 4.36Å; E334-F354 HydrophobicContact CG-CD1 4.04Å; E334-N355 VanDerWaalsContact OE1-CB 3.27Å; E334-N355 WeakPolarHBondContact OE1-CB 3.43Å; E334-N355 PolarHBondContact OE1-N 3.44Å; E334-N355 PolarHBondContact OE1-ND2 3.06Å; E334-N355 PolarHBondContact OE2-N 2.91Å; E334-N355 VanDerWaalsContact OE2-N 3.16Å; E334-L356 WeakPolarHBondContact OE2-CB 3.5Å; E334-L356 PolarHBondContact OE2-N 2.63Å; E334-P359 HydrophobicContact CB-CB 4.11Å; E334-P359 HydrophobicContact CB-CG 4.15Å
335M96.4Very high93.1Very high85 Ų8566.4 Ų66.442%0.41932%0.32SS..Hα-helixtrans-72.3-46.7178.6-71-174-65.300112.2G331 Q332 V333 M337 V338 K339 L356 P359G331-M335 WeakPolarHBondContact O-CG 3.49Å; G331-M335 PolarHBondContact O-N 3.01Å; G331-M335 VanDerWaalsContact O-N 3.09Å; Q332-M335 PolarHBondContact O-N 3.22Å; V333-M335 VanDerWaalsContact C-N 3.35Å; V333-M335 PolarHBondContact O-N 2.65Å; M335-M337 VanDerWaalsContact C-N 3.34Å; M335-M337 PolarHBondContact O-N 3.3Å; M335-V338 PolarHBondContact O-N 3.15Å; M335-K339 PolarHBondContact O-N 3.07Å; M335-K339 VanDerWaalsContact O-N 3.08Å; M335-L356 HydrophobicContact CG-CD1 4.44Å; M335-P359 HydrophobicContact CG-CG 3.76Å
336E96.8Very high93.2Very high71 Ų7166 Ų6633%0.33232%0.319SS..Hα-helixtrans-66.6-36.1179.1-16760.2-150.700111.5M305 Q332 V338 K339 I340M305-E336 HydrophobicContact SD-CB 4.33Å; M305-E336 HydrophobicContact SD-CG 4.44Å; Q332-E336 PolarHBondContact O-N 2.92Å; E336-V338 VanDerWaalsContact C-N 3.31Å; E336-V338 PolarHBondContact O-N 3.4Å; E336-K339 WeakPolarHBondContact O-CB 3.43Å; E336-K339 PolarHBondContact O-N 2.99Å; E336-K339 IonicContact OE1-NZ 3.83Å; E336-K339 PolarHBondContact OE1-NZ 3.32Å; E336-K339 WeakPolarHBondContact OE2-CD 3.41Å; E336-K339 IonicContact OE2-NZ 2.74Å; E336-K339 PolarHBondContact OE2-NZ 3.32Å; E336-I340 HydrophobicContact CG-CD1 4.09Å; E336-I340 WeakPolarHBondContact O-CG1 3.37Å; E336-I340 PolarHBondContact O-N 2.89Å
337M96.6Very high93.6Very high0 Ų057.9 Ų57.90%029%0.288CS..Hα-helixtrans-52.3-48.3170.8175152.350.800112.3V304 M305 V308 F322 V333 M335 I340 L341 L350 Y352 F354V304-M337 HydrophobicContact CG1-SD 4.45Å; M305-M337 HydrophobicContact CE-CB 3.57Å; M305-M337 HydrophobicContact CE-CG 4.31Å; V308-M337 HydrophobicContact CG1-CG 4.22Å; V308-M337 HydrophobicContact CG2-CG 4.03Å; V308-M337 HydrophobicContact CG2-SD 3.81Å; F322-M337 HydrophobicContact CZ-CE 4.24Å; F322-M337 HydrophobicContact CZ-SD 3.75Å; V333-M337 WeakPolarHBondContact O-CB 3.46Å; V333-M337 PolarHBondContact O-N 3.45Å; M335-M337 VanDerWaalsContact C-N 3.34Å; M335-M337 PolarHBondContact O-N 3.3Å; M337-I340 PolarHBondContact O-N 2.85Å; M337-L341 HydrophobicContact CG-CD1 3.55Å; M337-L341 HydrophobicContact CG-CG 4.43Å; M337-L341 VanDerWaalsContact O-CB 3.3Å; M337-L341 WeakPolarHBondContact O-CB 3.29Å; M337-L341 VanDerWaalsContact O-CG 3.23Å; M337-L341 WeakPolarHBondContact O-CG 3.28Å; M337-L341 PolarHBondContact O-N 3.04Å; M337-L341 HydrophobicContact SD-CD1 4.32Å; M337-L350 HydrophobicContact SD-CD2 4.09Å; M337-Y352 HydrophobicContact CE-CD1 3.67Å; M337-Y352 HydrophobicContact CE-CE1 3.81Å; M337-Y352 HydrophobicContact CE-CG 4.47Å; M337-F354 HydrophobicContact CE-CD1 4.45Å; M337-F354 HydrophobicContact CE-CE1 3.67Å; M337-F354 HydrophobicContact CE-CZ 3.91Å
338V97.1Very high94.3Very high8 Ų854.7 Ų54.75%0.04827%0.274CS..Hα-helixtrans-71.3-32.1-178.4164.90000112.3E334 M335 E336 R342 F354 P359 S362 M363 I366E334-V338 WeakPolarHBondContact O-CG2 3.47Å; E334-V338 PolarHBondContact O-N 3.5Å; M335-V338 PolarHBondContact O-N 3.15Å; E336-V338 VanDerWaalsContact C-N 3.31Å; E336-V338 PolarHBondContact O-N 3.4Å; V338-R342 PolarHBondContact O-N 3.44Å; V338-F354 HydrophobicContact CG2-CE1 3.75Å; V338-F354 HydrophobicContact CG2-CZ 3.99Å; V338-P359 HydrophobicContact CG2-CB 3.94Å; V338-S362 VanDerWaalsContact CG1-CB 3.4Å; V338-M363 HydrophobicContact CG2-CB 4.04Å; V338-I366 HydrophobicContact CG1-CD1 4.22Å
339K97.3Very high95.1Very high126 Ų12652.2 Ų52.255%0.54826%0.259SS..Hα-helixtrans-63.7-49.4173.7175.1170.7154.5-122.30110.8M335 E336 R342M335-K339 PolarHBondContact O-N 3.07Å; M335-K339 VanDerWaalsContact O-N 3.08Å; E336-K339 WeakPolarHBondContact O-CB 3.43Å; E336-K339 PolarHBondContact O-N 2.99Å; E336-K339 IonicContact OE1-NZ 3.83Å; E336-K339 PolarHBondContact OE1-NZ 3.32Å; E336-K339 WeakPolarHBondContact OE2-CD 3.41Å; E336-K339 IonicContact OE2-NZ 2.74Å; E336-K339 PolarHBondContact OE2-NZ 3.32Å; K339-R342 VanDerWaalsContact O-CB 3.27Å; K339-R342 WeakPolarHBondContact O-CB 3.31Å; K339-R342 PolarHBondContact O-N 3.21Å
340I96.7Very high95.9Very high21 Ų2153.1 Ų53.111%0.10826%0.264CS..Hα-helixtrans-64.5-48.1177.2-62.6161.5000111.3M305 V308 Q309 P312 E336 M337 R342 E343M305-I340 HydrophobicContact SD-CD1 4.44Å; V308-I340 HydrophobicContact CG1-CB 3.95Å; V308-I340 HydrophobicContact CG1-CD1 4.14Å; V308-I340 HydrophobicContact CG1-CG2 3.84Å; Q309-I340 HydrophobicContact CG-CD1 3.76Å; P312-I340 HydrophobicContact CG-CG2 3.48Å; P312-I340 VanDerWaalsContact CG-CG2 3.48Å; E336-I340 HydrophobicContact CG-CD1 4.09Å; E336-I340 WeakPolarHBondContact O-CG1 3.37Å; E336-I340 PolarHBondContact O-N 2.89Å; M337-I340 PolarHBondContact O-N 2.85Å; I340-R342 PolarHBondContact O-N 2.9Å; I340-R342 VanDerWaalsContact O-N 3.1Å; I340-E343 PolarHBondContact O-N 3.33Å
341L96.6Very high96.1Very high1 Ų151.6 Ų51.61%0.00525%0.248CC..Hα-helixtrans-68.1-11.4-176.6-70.8172000114.3V308 L311 M337 E343 N344 L347 L350 M363 I366V308-L341 HydrophobicContact CG1-CD1 4.28Å; V308-L341 HydrophobicContact CG1-CD2 4.28Å; V308-L341 HydrophobicContact CG1-CG 3.91Å; L311-L341 HydrophobicContact CB-CD2 4.2Å; L311-L341 HydrophobicContact CD1-CD2 3.66Å; M337-L341 HydrophobicContact CG-CD1 3.55Å; M337-L341 HydrophobicContact CG-CG 4.43Å; M337-L341 VanDerWaalsContact O-CB 3.3Å; M337-L341 WeakPolarHBondContact O-CB 3.29Å; M337-L341 VanDerWaalsContact O-CG 3.23Å; M337-L341 WeakPolarHBondContact O-CG 3.28Å; M337-L341 PolarHBondContact O-N 3.04Å; M337-L341 HydrophobicContact SD-CD1 4.32Å; L341-E343 PolarHBondContact O-N 3.35Å; L341-N344 HydrophobicContact CD2-CB 4.33Å; L341-N344 PolarHBondContact O-N 2.87Å; L341-L347 HydrophobicContact CD2-CD2 4.24Å; L341-L350 HydrophobicContact CD1-CD1 4.29Å; L341-M363 HydrophobicContact CB-CE 4.3Å; L341-M363 HydrophobicContact CB-SD 4.03Å; L341-M363 HydrophobicContact CD1-CE 3.55Å; L341-M363 HydrophobicContact CD1-SD 3.77Å; L341-M363 HydrophobicContact CG-CE 4.41Å; L341-I366 VanDerWaalsContact O-CG2 3.29Å; L341-I366 WeakPolarHBondContact O-CG2 3.49Å
342R95.7Very high96.2Very high148 Ų14851.6 Ų51.656%0.55824%0.239SC*.THydrogen-bonded Turntrans-59.4-34.6172.3-172.5175.1-66.4-100.2-3.1112.4V338 K339 I340 I366 R369V338-R342 PolarHBondContact O-N 3.44Å; K339-R342 VanDerWaalsContact O-CB 3.27Å; K339-R342 WeakPolarHBondContact O-CB 3.31Å; K339-R342 PolarHBondContact O-N 3.21Å; I340-R342 PolarHBondContact O-N 2.9Å; I340-R342 VanDerWaalsContact O-N 3.1Å; R342-I366 HydrophobicContact CB-CD1 4.25Å; R342-R369 PolarHBondContact O-NH1 3.5Å; R342-R369 PolarHBondContact O-NH2 2.84Å
343E94.2Very high96.2Very high146 Ų14650 Ų5068%0.68223%0.231SC*.THydrogen-bonded Turntrans-81.3-40.2-178.5-59.1-172.9165.700111.6I340 L341 H345I340-E343 PolarHBondContact O-N 3.33Å; L341-E343 PolarHBondContact O-N 3.35Å; E343-H345 PolarHBondContact O-N 2.93Å
344N95.4Very high96.1Very high8 Ų848.8 Ų48.84%0.04322%0.224CC..  trans-60.1131.6174.6179-76.6000111.3L311 N314 L341 T346 L347 R369 N370L311-N344 PolarHBondContact O-ND2 3.49Å; N314-N344 PolarHBondContact O-ND2 3.01Å; L341-N344 HydrophobicContact CD2-CB 4.33Å; L341-N344 PolarHBondContact O-N 2.87Å; N344-T346 PolarHBondContact ND2-OG1 3.11Å; N344-T346 PolarHBondContact OD1-N 3.38Å; N344-T346 PolarHBondContact OD1-OG1 2.93Å; N344-L347 WeakPolarHBondContact OD1-CB 3.05Å; N344-L347 PolarHBondContact OD1-N 3.45Å; N344-R369 PolarHBondContact O-NH2 3.41Å; N344-N370 PolarHBondContact O-ND2 3.13Å
345H94.1Very high96Very high73 Ų7352.6 Ų52.634%0.33824%0.244SC..  trans-124.420.6-177.959.852.3000114.5N315 E343 N370 R373N315-H345 PolarHBondContact OD1-CE1 2.81Å; N315-H345 VanDerWaalsContact OD1-CE1 3.24Å; E343-H345 PolarHBondContact O-N 2.93Å; H345-N370 WeakPolarHBondContact CA-OD1 3.34Å; H345-R373 PolarHBondContact CD2-NH1 3.37Å; H345-R373 VanDerWaalsContact CG-NH1 3.32Å
346T96Very high96Very high17 Ų1751.7 Ų51.710%0.10424%0.24CC..SBendtrans-122.5-34.2-171.949.30000112.6N314 N315 L317 N344 I348N314-T346 PolarHBondContact O-OG1 3.09Å; N315-T346 HydrophobicContact CB-CG2 4.3Å; L317-T346 CarbonylContact O-C 3.52Å; N344-T346 PolarHBondContact ND2-OG1 3.11Å; N344-T346 PolarHBondContact OD1-N 3.38Å; N344-T346 PolarHBondContact OD1-OG1 2.93Å; T346-I348 WeakPolarHBondContact O-CG1 3.28Å; T346-I348 PolarHBondContact O-N 3.29Å
347L96.8Very high95.9Very high1 Ų152.3 Ų52.31%0.00525%0.251CS..  trans-63.3128.9172.9-164.975.7000110.8L311 L317 L320 L341 N344 L350 M363 L367 N370L311-L347 HydrophobicContact CD1-CD2 4.45Å; L317-L347 HydrophobicContact CD2-CD1 4.45Å; L320-L347 HydrophobicContact CB-CD1 3.93Å; L341-L347 HydrophobicContact CD2-CD2 4.24Å; N344-L347 WeakPolarHBondContact OD1-CB 3.05Å; N344-L347 PolarHBondContact OD1-N 3.45Å; L347-L350 HydrophobicContact CD2-CB 4.31Å; L347-L350 HydrophobicContact CD2-CD1 3.83Å; L347-M363 HydrophobicContact CD2-CE 3.97Å; L347-L367 HydrophobicContact CD2-CD2 4.29Å; L347-L367 HydrophobicContact CG-CD2 4.27Å; L347-L367 WeakPolarHBondContact O-CD2 3.38Å; L347-N370 VanDerWaalsContact O-CB 3.27Å; L347-N370 WeakPolarHBondContact O-CB 3.48Å; L347-N370 PolarHBondContact O-ND2 3.23Å
348I96.6Very high96Very high31 Ų3154.3 Ų54.316%0.15927%0.272CS..  trans-110.3-33.7-179.2-39.6172.5000110.9T318 T346 Q371 Q374T318-I348 HydrophobicContact CG2-CD1 4.05Å; T318-I348 HydrophobicContact CG2-CG1 4.37Å; T318-I348 PolarHBondContact O-N 3.01Å; T346-I348 WeakPolarHBondContact O-CG1 3.28Å; T346-I348 PolarHBondContact O-N 3.29Å; I348-Q371 HydrophobicContact CG2-CB 4.08Å; I348-Q371 HydrophobicContact CG2-CG 4.13Å; I348-Q374 VanDerWaalsContact CD1-NE2 3.28Å
349K97.4Very high96Very high105 Ų10554.5 Ų54.546%0.45727%0.273SS..EExtended strand (participates in β ladder)trans-130.4126.1179.6-51-173.2-159.31580110.7T318 E319 L320T318-K349 PolarHBondContact O-N 3.09Å; E319-K349 WeakPolarHBondContact CA-O 3.41Å; E319-K349 HydrophobicContact CB-CB 4.39Å; E319-K349 HydrophobicContact CG-CB 4.06Å; E319-K349 HydrophobicContact CG-CD 4.03Å; E319-K349 HydrophobicContact CG-CG 4.15Å; E319-K349 WeakPolarHBondContact OE1-CE 3.25Å; E319-K349 IonicContact OE1-NZ 3.13Å; E319-K349 PolarHBondContact OE1-NZ 2.97Å; E319-K349 IonicContact OE2-NZ 2.74Å; L320-K349 PolarHBondContact N-O 3.36Å; L320-K349 VanDerWaalsContact N-O 3.1Å
350L97.4Very high96Very high22 Ų2253 Ų5312%0.11526%0.264CS..EExtended strand (participates in β ladder)trans-108.4110.6166-168.884.3000107.9L320 F322 M337 L341 L347 Y352 F354 M363 L367L320-L350 HydrophobicContact CD2-CD1 4.32Å; L320-L350 CarbonylContact O-C 3.5Å; L320-L350 WeakPolarHBondContact O-CA 3.43Å; F322-L350 HydrophobicContact CE1-CD1 3.77Å; F322-L350 HydrophobicContact CE1-CG 4.26Å; F322-L350 HydrophobicContact CZ-CD1 4.23Å; F322-L350 HydrophobicContact CZ-CD2 4.45Å; F322-L350 HydrophobicContact CZ-CG 4.45Å; M337-L350 HydrophobicContact SD-CD2 4.09Å; L341-L350 HydrophobicContact CD1-CD1 4.29Å; L347-L350 HydrophobicContact CD2-CB 4.31Å; L347-L350 HydrophobicContact CD2-CD1 3.83Å; L350-Y352 PolarHBondContact O-N 2.97Å; L350-F354 HydrophobicContact CD2-CE2 3.73Å; L350-F354 HydrophobicContact CD2-CZ 3.77Å; L350-M363 HydrophobicContact CB-CE 3.8Å; L350-M363 HydrophobicContact CD1-CE 4.35Å; L350-M363 HydrophobicContact CD2-CE 4.01Å; L350-M363 HydrophobicContact CD2-CG 4.13Å; L350-M363 HydrophobicContact CG-CE 4.27Å; L350-L367 HydrophobicContact CB-CD1 4.15Å
351G95.9Very high96Very high8 Ų858.6 Ų58.68%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-78.472.6171.400000110.5L320 F322 H323L320-G351 PolarHBondContact O-N 2.92Å; F322-G351 CarbonylContact C-O 3.52Å; F322-G351 PolarHBondContact N-O 3.08Å; H323-G351 PolarHBondContact CD2-O 3.28Å; H323-G351 VanDerWaalsContact CD2-O 3.29Å; H323-G351 PolarHBondContact N-O 3.44Å; H323-G351 VanDerWaalsContact N-O 3.11Å; H323-G351 WeakPolarHBondContact NE2-CA 3.31Å
352Y96.1Very high96.1Very high29 Ų2960.9 Ų60.911%0.11431%0.307CS..  trans-147.6140172.9178.8-110.6000111F322 H323 C329 E334 M337 L350 F354 N355F322-Y352 AromaticContact CD2-CD2 3.68Å; F322-Y352 HydrophobicContact CD2-CD2 3.68Å; F322-Y352 HydrophobicContact CD2-CE2 4.48Å; F322-Y352 HydrophobicContact CD2-CG 4.13Å; F322-Y352 HydrophobicContact CE2-CD1 4.21Å; F322-Y352 AromaticContact CE2-CD2 3.32Å; F322-Y352 HydrophobicContact CE2-CD2 3.32Å; F322-Y352 HydrophobicContact CE2-CE2 4.09Å; F322-Y352 AromaticContact CE2-CG 3.4Å; F322-Y352 HydrophobicContact CE2-CG 3.4Å; F322-Y352 VanDerWaalsContact CE2-CG 3.4Å; F322-Y352 HydrophobicContact CZ-CD1 4.49Å; F322-Y352 HydrophobicContact CZ-CD2 4.22Å; F322-Y352 AromaticContact CZ-CG 3.85Å; F322-Y352 HydrophobicContact CZ-CG 3.85Å; H323-Y352 VanDerWaalsContact CE1-C 3.47Å; H323-Y352 PolarHBondContact CE1-N 2.97Å; H323-Y352 PolarHBondContact NE2-N 2.96Å; C329-Y352 HydrophobicContact CB-CE2 4.49Å; E334-Y352 HydrophobicContact CG-CE1 4.11Å; E334-Y352 PolarHBondContact OE1-OH 3.26Å; E334-Y352 VanDerWaalsContact OE1-OH 3.08Å; M337-Y352 HydrophobicContact CE-CD1 3.67Å; M337-Y352 HydrophobicContact CE-CE1 3.81Å; M337-Y352 HydrophobicContact CE-CG 4.47Å; L350-Y352 PolarHBondContact O-N 2.97Å; Y352-F354 HydrophobicContact CD1-CD1 4.18Å; Y352-F354 AromaticContact CD1-CD2 3.97Å; Y352-F354 HydrophobicContact CD1-CD2 3.97Å; Y352-F354 HydrophobicContact CD1-CE1 4.29Å; Y352-F354 HydrophobicContact CD1-CE2 4.07Å; Y352-F354 HydrophobicContact CD1-CG 4.03Å; Y352-F354 HydrophobicContact CD1-CZ 4.23Å; Y352-F354 HydrophobicContact CE1-CB 4.4Å; Y352-F354 AromaticContact CE1-CD1 3.99Å; Y352-F354 HydrophobicContact CE1-CD1 3.99Å; Y352-F354 HydrophobicContact CE1-CD2 4.44Å; Y352-F354 HydrophobicContact CE1-CE1 4.4Å; Y352-F354 HydrophobicContact CE1-CG 4.02Å; Y352-N355 PolarHBondContact OH-ND2 3.03Å
353Q94.2Very high96.2Very high115 Ų11554 Ų5454%0.53728%0.281SS..  trans-100.4101.6175.9176.259.218.200109.5
354F95.2Very high96.3Very high9 Ų950.7 Ų50.74%0.03927%0.271CS..  trans-63.4131.5174.1-68.7-93.5000111.6E334 M337 V338 L350 Y352 P359 R360 M363E334-F354 HydrophobicContact CB-CD1 4Å; E334-F354 HydrophobicContact CB-CE1 4.36Å; E334-F354 HydrophobicContact CG-CD1 4.04Å; M337-F354 HydrophobicContact CE-CD1 4.45Å; M337-F354 HydrophobicContact CE-CE1 3.67Å; M337-F354 HydrophobicContact CE-CZ 3.91Å; V338-F354 HydrophobicContact CG2-CE1 3.75Å; V338-F354 HydrophobicContact CG2-CZ 3.99Å; L350-F354 HydrophobicContact CD2-CE2 3.73Å; L350-F354 HydrophobicContact CD2-CZ 3.77Å; Y352-F354 HydrophobicContact CD1-CD1 4.18Å; Y352-F354 AromaticContact CD1-CD2 3.97Å; Y352-F354 HydrophobicContact CD1-CD2 3.97Å; Y352-F354 HydrophobicContact CD1-CE1 4.29Å; Y352-F354 HydrophobicContact CD1-CE2 4.07Å; Y352-F354 HydrophobicContact CD1-CG 4.03Å; Y352-F354 HydrophobicContact CD1-CZ 4.23Å; Y352-F354 HydrophobicContact CE1-CB 4.4Å; Y352-F354 AromaticContact CE1-CD1 3.99Å; Y352-F354 HydrophobicContact CE1-CD1 3.99Å; Y352-F354 HydrophobicContact CE1-CD2 4.44Å; Y352-F354 HydrophobicContact CE1-CE1 4.4Å; Y352-F354 HydrophobicContact CE1-CG 4.02Å; F354-P359 HydrophobicContact CD1-CB 3.53Å; F354-P359 HydrophobicContact CE1-CB 3.82Å; F354-P359 HydrophobicContact CG-CB 4.43Å; F354-R360 HydrophobicContact CB-CB 3.71Å; F354-R360 HydrophobicContact CB-CG 4.02Å; F354-R360 HydrophobicContact CD2-CB 4.46Å; F354-R360 HydrophobicContact CD2-CG 4.45Å; F354-R360 HydrophobicContact CG-CB 4.23Å; F354-R360 VanDerWaalsContact O-CZ 3.27Å; F354-R360 PolarHBondContact O-NE 3.03Å; F354-R360 PolarHBondContact O-NH2 3.15Å; F354-M363 HydrophobicContact CE2-CB 3.64Å; F354-M363 HydrophobicContact CE2-CG 3.67Å; F354-M363 HydrophobicContact CZ-CB 3.62Å; F354-M363 HydrophobicContact CZ-CG 3.7Å
355N93.6Very high96.4Very high81 Ų8152.3 Ų52.343%0.43329%0.29SS..SBendtrans-75.3-43.6171.9-59.2-74.3000110.6E334 Y352 R360E334-N355 VanDerWaalsContact OE1-CB 3.27Å; E334-N355 WeakPolarHBondContact OE1-CB 3.43Å; E334-N355 PolarHBondContact OE1-N 3.44Å; E334-N355 PolarHBondContact OE1-ND2 3.06Å; E334-N355 PolarHBondContact OE2-N 2.91Å; E334-N355 VanDerWaalsContact OE2-N 3.16Å; Y352-N355 PolarHBondContact OH-ND2 3.03Å; N355-R360 PolarHBondContact O-NH2 3.47Å
356L95.7Very high96.6Very high65 Ų6549.5 Ų49.534%0.3428%0.277SS..SBendtrans-81.2134.8-178.8-63-177.6000112.2E334 M335 P359 R360E334-L356 WeakPolarHBondContact OE2-CB 3.5Å; E334-L356 PolarHBondContact OE2-N 2.63Å; M335-L356 HydrophobicContact CG-CD1 4.44Å; L356-P359 HydrophobicContact CB-CG 3.86Å; L356-P359 HydrophobicContact CD1-CG 4.31Å; L356-R360 WeakPolarHBondContact O-CB 3.27Å; L356-R360 PolarHBondContact O-N 3.16Å
357P96.2Very high96.6Very high85 Ų8550 Ų5055%0.55228%0.279SS*.Hα-helixtrans-70.1-35.9-177.326.8-33.8000113.4R360 M361P357-R360 WeakPolarHBondContact O-CB 3.25Å; P357-R360 PolarHBondContact O-N 2.85Å; P357-M361 WeakPolarHBondContact O-CG 3.43Å; P357-M361 PolarHBondContact O-N 3.34Å
358G97Very high96.7Very high42 Ų4253.9 Ų53.943%0.43330%0.303SS..Hα-helixtrans-60.8-53.9179.900000113.3M361 S362G358-M361 PolarHBondContact O-N 3.02Å; G358-S362 VanDerWaalsContact O-CB 3.32Å; G358-S362 WeakPolarHBondContact O-CB 3.45Å; G358-S362 PolarHBondContact O-N 3.48Å; G358-S362 PolarHBondContact O-OG 3.1Å
359P97.4Very high96.7Very high12 Ų1256.9 Ų56.98%0.07831%0.312CS..Hα-helixtrans-55.4-46.1169.2-31.439.7000113.5E334 M335 V338 F354 L356 M361 S362 M363E334-P359 HydrophobicContact CB-CB 4.11Å; E334-P359 HydrophobicContact CB-CG 4.15Å; M335-P359 HydrophobicContact CG-CG 3.76Å; V338-P359 HydrophobicContact CG2-CB 3.94Å; F354-P359 HydrophobicContact CD1-CB 3.53Å; F354-P359 HydrophobicContact CE1-CB 3.82Å; F354-P359 HydrophobicContact CG-CB 4.43Å; L356-P359 HydrophobicContact CB-CG 3.86Å; L356-P359 HydrophobicContact CD1-CG 4.31Å; P359-M361 PolarHBondContact O-N 2.87Å; P359-S362 PolarHBondContact O-N 2.8Å; P359-M363 WeakPolarHBondContact O-CB 3.45Å; P359-M363 PolarHBondContact O-N 2.89Å
360R97.5Very high96.7Very high93 Ų9352 Ų5235%0.35129%0.291SS..Hα-helixtrans-55.4-49.5178.9-162.5-173.6-59148.64.5112.5F354 N355 L356 P357 T364F354-R360 HydrophobicContact CB-CB 3.71Å; F354-R360 HydrophobicContact CB-CG 4.02Å; F354-R360 HydrophobicContact CD2-CB 4.46Å; F354-R360 HydrophobicContact CD2-CG 4.45Å; F354-R360 HydrophobicContact CG-CB 4.23Å; F354-R360 VanDerWaalsContact O-CZ 3.27Å; F354-R360 PolarHBondContact O-NE 3.03Å; F354-R360 PolarHBondContact O-NH2 3.15Å; N355-R360 PolarHBondContact O-NH2 3.47Å; L356-R360 WeakPolarHBondContact O-CB 3.27Å; L356-R360 PolarHBondContact O-N 3.16Å; P357-R360 WeakPolarHBondContact O-CB 3.25Å; P357-R360 PolarHBondContact O-N 2.85Å; R360-T364 WeakPolarHBondContact O-CB 3.32Å; R360-T364 PolarHBondContact O-N 3.19Å; R360-T364 VanDerWaalsContact O-N 3.08Å; R360-T364 PolarHBondContact O-OG1 3.16Å
361M97.4Very high96.6Very high140 Ų14056.3 Ų56.369%0.6931%0.311SS*.Hα-helixtrans-68-41.9179.2-68.4-59.2-68.700111.9P357 G358 P359 T364 G365P357-M361 WeakPolarHBondContact O-CG 3.43Å; P357-M361 PolarHBondContact O-N 3.34Å; G358-M361 PolarHBondContact O-N 3.02Å; P359-M361 PolarHBondContact O-N 2.87Å; M361-T364 PolarHBondContact O-N 3.1Å; M361-G365 PolarHBondContact O-N 3.23Å
362S97.6Very high96.7Very high48 Ų4858.2 Ų58.234%0.33632%0.319SS..Hα-helixtrans-62.5-44.6178.2-62.10000112.1V338 G358 P359 G365 I366V338-S362 VanDerWaalsContact CG1-CB 3.4Å; G358-S362 VanDerWaalsContact O-CB 3.32Å; G358-S362 WeakPolarHBondContact O-CB 3.45Å; G358-S362 PolarHBondContact O-N 3.48Å; G358-S362 PolarHBondContact O-OG 3.1Å; P359-S362 PolarHBondContact O-N 2.8Å; S362-G365 PolarHBondContact O-N 3.33Å; S362-I366 WeakPolarHBondContact O-CG1 3.24Å; S362-I366 PolarHBondContact O-N 2.94Å
363M97.8Very high96.6Very high4 Ų462.4 Ų62.42%0.0233%0.334CS..Hα-helixtrans-65.9-40177.1-169.156.7-170.100111.9V338 L341 L347 L350 F354 P359 G365 I366 L367V338-M363 HydrophobicContact CG2-CB 4.04Å; L341-M363 HydrophobicContact CB-CE 4.3Å; L341-M363 HydrophobicContact CB-SD 4.03Å; L341-M363 HydrophobicContact CD1-CE 3.55Å; L341-M363 HydrophobicContact CD1-SD 3.77Å; L341-M363 HydrophobicContact CG-CE 4.41Å; L347-M363 HydrophobicContact CD2-CE 3.97Å; L350-M363 HydrophobicContact CB-CE 3.8Å; L350-M363 HydrophobicContact CD1-CE 4.35Å; L350-M363 HydrophobicContact CD2-CE 4.01Å; L350-M363 HydrophobicContact CD2-CG 4.13Å; L350-M363 HydrophobicContact CG-CE 4.27Å; F354-M363 HydrophobicContact CE2-CB 3.64Å; F354-M363 HydrophobicContact CE2-CG 3.67Å; F354-M363 HydrophobicContact CZ-CB 3.62Å; F354-M363 HydrophobicContact CZ-CG 3.7Å; P359-M363 WeakPolarHBondContact O-CB 3.45Å; P359-M363 PolarHBondContact O-N 2.89Å; M363-G365 VanDerWaalsContact C-N 3.26Å; M363-G365 PolarHBondContact O-N 3.43Å; M363-I366 PolarHBondContact O-N 3.46Å; M363-I366 VanDerWaalsContact O-N 3.13Å; M363-I366 HydrophobicContact SD-CB 4.27Å; M363-I366 HydrophobicContact SD-CD1 4.27Å; M363-I366 HydrophobicContact SD-CG2 4.33Å; M363-L367 HydrophobicContact CE-CD1 4.11Å; M363-L367 HydrophobicContact CE-CD2 3.5Å; M363-L367 VanDerWaalsContact CE-CD2 3.5Å; M363-L367 HydrophobicContact CE-CG 3.71Å; M363-L367 HydrophobicContact CG-CG 4.47Å; M363-L367 WeakPolarHBondContact O-CG 3.42Å; M363-L367 PolarHBondContact O-N 3.3Å
364T97.1Very high96.6Very high77 Ų7760 Ų6047%0.47232%0.323SS..Hα-helixtrans-57.8-41.1174-56.70000111R360 M361 T368R360-T364 WeakPolarHBondContact O-CB 3.32Å; R360-T364 PolarHBondContact O-N 3.19Å; R360-T364 VanDerWaalsContact O-N 3.08Å; R360-T364 PolarHBondContact O-OG1 3.16Å; M361-T364 PolarHBondContact O-N 3.1Å; T364-T368 VanDerWaalsContact O-CB 3.31Å; T364-T368 WeakPolarHBondContact O-CB 3.47Å; T364-T368 PolarHBondContact O-N 3.07Å; T364-T368 PolarHBondContact O-OG1 3.13Å
365G97.8Very high96.6Very high42 Ų4265.6 Ų65.643%0.43334%0.344SS..Hα-helixtrans-63.6-42.6173.200000113.9M361 S362 M363 T368 R369M361-G365 PolarHBondContact O-N 3.23Å; S362-G365 PolarHBondContact O-N 3.33Å; M363-G365 VanDerWaalsContact C-N 3.26Å; M363-G365 PolarHBondContact O-N 3.43Å; G365-T368 PolarHBondContact O-N 3.12Å; G365-R369 WeakPolarHBondContact O-CB 3.3Å; G365-R369 PolarHBondContact O-N 3.32Å
366I97.6Very high96.6Very high13 Ų1366.1 Ų66.17%0.06734%0.344CS..Hα-helixtrans-61.1-51177-70.2163.2000110.9V338 L341 R342 S362 M363 T368 R369 N370V338-I366 HydrophobicContact CG1-CD1 4.22Å; L341-I366 VanDerWaalsContact O-CG2 3.29Å; L341-I366 WeakPolarHBondContact O-CG2 3.49Å; R342-I366 HydrophobicContact CB-CD1 4.25Å; S362-I366 WeakPolarHBondContact O-CG1 3.24Å; S362-I366 PolarHBondContact O-N 2.94Å; M363-I366 PolarHBondContact O-N 3.46Å; M363-I366 VanDerWaalsContact O-N 3.13Å; M363-I366 HydrophobicContact SD-CB 4.27Å; M363-I366 HydrophobicContact SD-CD1 4.27Å; M363-I366 HydrophobicContact SD-CG2 4.33Å; I366-T368 PolarHBondContact O-N 3.27Å; I366-R369 WeakPolarHBondContact O-CB 3.42Å; I366-R369 PolarHBondContact O-N 3.14Å; I366-N370 PolarHBondContact O-N 3.45Å; I366-N370 PolarHBondContact O-OD1 3.41Å
367L97.5Very high96.6Very high29 Ų2970.8 Ų70.815%0.15236%0.357CS..Hα-helixtrans-63.3-41.9179.4-65.7-176.5000111.8L347 L350 M363 R369 N370 Q371L347-L367 HydrophobicContact CD2-CD2 4.29Å; L347-L367 HydrophobicContact CG-CD2 4.27Å; L347-L367 WeakPolarHBondContact O-CD2 3.38Å; L350-L367 HydrophobicContact CB-CD1 4.15Å; M363-L367 HydrophobicContact CE-CD1 4.11Å; M363-L367 HydrophobicContact CE-CD2 3.5Å; M363-L367 VanDerWaalsContact CE-CD2 3.5Å; M363-L367 HydrophobicContact CE-CG 3.71Å; M363-L367 HydrophobicContact CG-CG 4.47Å; M363-L367 WeakPolarHBondContact O-CG 3.42Å; M363-L367 PolarHBondContact O-N 3.3Å; L367-R369 PolarHBondContact O-N 2.87Å; L367-N370 PolarHBondContact O-N 2.78Å; L367-N370 VanDerWaalsContact O-N 3.17Å; L367-Q371 PolarHBondContact O-N 3.3Å
368T97.6Very high96.4Very high82 Ų8273.1 Ų73.150%0.50336%0.355SS..Hα-helixtrans-59.5-45.5175.7-570000111.1T364 G365 I366 N370 Q371 D372T364-T368 VanDerWaalsContact O-CB 3.31Å; T364-T368 WeakPolarHBondContact O-CB 3.47Å; T364-T368 PolarHBondContact O-N 3.07Å; T364-T368 PolarHBondContact O-OG1 3.13Å; G365-T368 PolarHBondContact O-N 3.12Å; I366-T368 PolarHBondContact O-N 3.27Å; T368-N370 VanDerWaalsContact C-N 3.33Å; T368-N370 PolarHBondContact O-N 2.99Å; T368-Q371 PolarHBondContact O-N 3.4Å; T368-D372 WeakPolarHBondContact O-CB 3.36Å; T368-D372 PolarHBondContact O-N 2.72Å
369R97Very high96.3Very high94 Ų9475.7 Ų75.736%0.35536%0.358SS..Hα-helixtrans-59.4-40.9174.9-179.5-156.470.1173.3-4.9112.1R342 N344 G365 I366 L367 D372 R373R342-R369 PolarHBondContact O-NH1 3.5Å; R342-R369 PolarHBondContact O-NH2 2.84Å; N344-R369 PolarHBondContact O-NH2 3.41Å; G365-R369 WeakPolarHBondContact O-CB 3.3Å; G365-R369 PolarHBondContact O-N 3.32Å; I366-R369 WeakPolarHBondContact O-CB 3.42Å; I366-R369 PolarHBondContact O-N 3.14Å; L367-R369 PolarHBondContact O-N 2.87Å; R369-D372 PolarHBondContact O-N 3.06Å; R369-R373 PolarHBondContact O-N 3.26Å
370N96.9Very high96.1Very high2 Ų280.1 Ų80.11%0.01138%0.378CS..Hα-helixtrans-69.6-42.7-178.8-66.3-0.2000111.1N344 H345 L347 I366 L367 T368 D372 R373 Q374N344-N370 PolarHBondContact O-ND2 3.13Å; H345-N370 WeakPolarHBondContact CA-OD1 3.34Å; L347-N370 VanDerWaalsContact O-CB 3.27Å; L347-N370 WeakPolarHBondContact O-CB 3.48Å; L347-N370 PolarHBondContact O-ND2 3.23Å; I366-N370 PolarHBondContact O-N 3.45Å; I366-N370 PolarHBondContact O-OD1 3.41Å; L367-N370 PolarHBondContact O-N 2.78Å; L367-N370 VanDerWaalsContact O-N 3.17Å; T368-N370 VanDerWaalsContact C-N 3.33Å; T368-N370 PolarHBondContact O-N 2.99Å; N370-D372 PolarHBondContact O-N 2.98Å; N370-R373 WeakPolarHBondContact O-CB 3.19Å; N370-R373 PolarHBondContact O-N 3.43Å; N370-Q374 PolarHBondContact O-N 2.9Å
371Q96.7Very high95.9Very high113 Ų11379.9 Ų79.953%0.52838%0.38SS..Hα-helixtrans-64.3-38.5173.2-164.3-178.769.500112.1I348 L367 T368 Q374 R375I348-Q371 HydrophobicContact CG2-CB 4.08Å; I348-Q371 HydrophobicContact CG2-CG 4.13Å; L367-Q371 PolarHBondContact O-N 3.3Å; T368-Q371 PolarHBondContact O-N 3.4Å; Q371-Q374 PolarHBondContact O-N 3.14Å; Q371-R375 PolarHBondContact O-N 2.9Å; Q371-R375 VanDerWaalsContact O-N 3.07Å
372D96.6Very high95.5Very high47 Ų4778.4 Ų78.425%0.25137%0.372SS..Hα-helixtrans-62-45.4174.8-162.5101.6000111.6T368 R369 N370 Q374 R375 Q376T368-D372 WeakPolarHBondContact O-CB 3.36Å; T368-D372 PolarHBondContact O-N 2.72Å; R369-D372 PolarHBondContact O-N 3.06Å; N370-D372 PolarHBondContact O-N 2.98Å; D372-Q374 VanDerWaalsContact C-N 3.29Å; D372-Q374 PolarHBondContact O-N 2.88Å; D372-R375 WeakPolarHBondContact O-CA 3.44Å; D372-R375 WeakPolarHBondContact O-CB 3.04Å; D372-R375 PolarHBondContact O-N 3.42Å; D372-R375 IonicContact OD1-CZ 3.14Å; D372-R375 IonicContact OD1-NH1 2.68Å; D372-R375 PolarHBondContact OD1-NH1 3.06Å; D372-R375 IonicContact OD1-NH2 2.76Å; D372-R375 PolarHBondContact OD1-NH2 2.95Å; D372-R375 IonicContact OD2-CZ 3.75Å; D372-R375 IonicContact OD2-NH1 3.96Å; D372-R375 IonicContact OD2-NH2 2.93Å; D372-R375 PolarHBondContact OD2-NH2 2.91Å; D372-Q376 WeakPolarHBondContact O-CG 3.28Å; D372-Q376 PolarHBondContact O-N 3.29Å; D372-Q376 PolarHBondContact OD2-NE2 3.4Å
373R94.8Very high95.2Very high117 Ų11782.5 Ų82.544%0.44238%0.38SS..Hα-helixtrans-54-42.9172.8-84.7-175.7163.6-152.5-2.8112.4H345 R369 N370 Q376 R377H345-R373 PolarHBondContact CD2-NH1 3.37Å; H345-R373 VanDerWaalsContact CG-NH1 3.32Å; R369-R373 PolarHBondContact O-N 3.26Å; N370-R373 WeakPolarHBondContact O-CB 3.19Å; N370-R373 PolarHBondContact O-N 3.43Å; R373-Q376 PolarHBondContact O-N 2.74Å; R373-R377 PolarHBondContact O-N 2.57Å
374Q92.8Very high94.7Very high64 Ų6487.7 Ų87.730%0.29940%0.404SS..Hα-helixtrans-66.7-38.4176.2-66.6-167.5-5.600112.8I348 N370 Q371 D372 Q376 R377 R378I348-Q374 VanDerWaalsContact CD1-NE2 3.28Å; N370-Q374 PolarHBondContact O-N 2.9Å; Q371-Q374 PolarHBondContact O-N 3.14Å; D372-Q374 VanDerWaalsContact C-N 3.29Å; D372-Q374 PolarHBondContact O-N 2.88Å; Q374-Q376 VanDerWaalsContact C-N 3.32Å; Q374-Q376 PolarHBondContact O-N 2.91Å; Q374-R377 PolarHBondContact O-N 3.27Å; Q374-R378 PolarHBondContact O-N 2.78Å; Q374-R378 VanDerWaalsContact O-N 3.17Å
375R95.3Very high94Very high128 Ų12890.6 Ų90.648%0.48341%0.412SS..Hα-helixtrans-62.5-40.4172.8-168.5-164.167.9-117.7-12.9111.2Q371 D372 L379Q371-R375 PolarHBondContact O-N 2.9Å; Q371-R375 VanDerWaalsContact O-N 3.07Å; D372-R375 WeakPolarHBondContact O-CA 3.44Å; D372-R375 WeakPolarHBondContact O-CB 3.04Å; D372-R375 PolarHBondContact O-N 3.42Å; D372-R375 IonicContact OD1-CZ 3.14Å; D372-R375 IonicContact OD1-NH1 2.68Å; D372-R375 PolarHBondContact OD1-NH1 3.06Å; D372-R375 IonicContact OD1-NH2 2.76Å; D372-R375 PolarHBondContact OD1-NH2 2.95Å; D372-R375 IonicContact OD2-CZ 3.75Å; D372-R375 IonicContact OD2-NH1 3.96Å; D372-R375 IonicContact OD2-NH2 2.93Å; D372-R375 PolarHBondContact OD2-NH2 2.91Å; R375-L379 WeakPolarHBondContact O-CB 3.4Å; R375-L379 PolarHBondContact O-N 3.46Å; R375-L379 VanDerWaalsContact O-N 3.12Å
376Q95.4Very high93Very high91 Ų9194.9 Ų94.943%0.42542%0.421SS..Hα-helixtrans-64.3-40.2176.7-69.2-177.532.200112.6D372 R373 Q374 L379 Q380D372-Q376 WeakPolarHBondContact O-CG 3.28Å; D372-Q376 PolarHBondContact O-N 3.29Å; D372-Q376 PolarHBondContact OD2-NE2 3.4Å; R373-Q376 PolarHBondContact O-N 2.74Å; Q374-Q376 VanDerWaalsContact C-N 3.32Å; Q374-Q376 PolarHBondContact O-N 2.91Å; Q376-L379 PolarHBondContact O-N 3.22Å; Q376-Q380 VanDerWaalsContact O-CG 3.32Å; Q376-Q380 WeakPolarHBondContact O-CG 3.43Å; Q376-Q380 PolarHBondContact O-N 2.79Å; Q376-Q380 PolarHBondContact O-NE2 2.79Å
377R93.8Very high91.6Very high164 Ų164100 Ų10062%0.61945%0.445SS*.Hα-helixtrans-60.5-54.4175-76.8-170.2-179.5-1493111.8R373 Q374 L379 Q380 E381R373-R377 PolarHBondContact O-N 2.57Å; Q374-R377 PolarHBondContact O-N 3.27Å; R377-L379 PolarHBondContact O-N 3.43Å; R377-L379 VanDerWaalsContact O-N 3.16Å; R377-Q380 WeakPolarHBondContact O-CA 3.41Å; R377-Q380 WeakPolarHBondContact O-CB 3.46Å; R377-Q380 PolarHBondContact O-N 3.08Å; R377-E381 WeakPolarHBondContact CB-OE1 3.4Å; R377-E381 WeakPolarHBondContact O-CG 3.13Å; R377-E381 PolarHBondContact O-N 2.96Å
378R93.7Very high89.8Confident134 Ų134104.3 Ų104.351%0.50647%0.468SS..Hα-helixtrans-54.2-38.1176.5-67.5-171-63.4-92.65.2113.3Q374 E381 Q382Q374-R378 PolarHBondContact O-N 2.78Å; Q374-R378 VanDerWaalsContact O-N 3.17Å; R378-E381 WeakPolarHBondContact CA-OE2 3.34Å; R378-Q382 VanDerWaalsContact O-CB 3.27Å; R378-Q382 WeakPolarHBondContact O-CB 3.41Å; R378-Q382 PolarHBondContact O-N 2.74Å
379L94.4Very high87.8Confident95 Ų95102.9 Ų102.950%0.49747%0.47SS..Hα-helixtrans-72.3-28.5177.1-174.263.3000113.2R375 Q376 R377 R383R375-L379 WeakPolarHBondContact O-CB 3.4Å; R375-L379 PolarHBondContact O-N 3.46Å; R375-L379 VanDerWaalsContact O-N 3.12Å; Q376-L379 PolarHBondContact O-N 3.22Å; R377-L379 PolarHBondContact O-N 3.43Å; R377-L379 VanDerWaalsContact O-N 3.16Å; L379-R383 WeakPolarHBondContact O-CB 3.37Å; L379-R383 VanDerWaalsContact O-CG 3.25Å; L379-R383 WeakPolarHBondContact O-CG 3.38Å; L379-R383 PolarHBondContact O-N 3.1Å
380Q92.9Very high85.5Confident106 Ų106101.3 Ų101.350%0.49548%0.476SS..Hα-helixtrans-76.4-47.3174.4-72.4170.752.900111Q376 R377 Q382 R383 Q384Q376-Q380 VanDerWaalsContact O-CG 3.32Å; Q376-Q380 WeakPolarHBondContact O-CG 3.43Å; Q376-Q380 PolarHBondContact O-N 2.79Å; Q376-Q380 PolarHBondContact O-NE2 2.79Å; R377-Q380 WeakPolarHBondContact O-CA 3.41Å; R377-Q380 WeakPolarHBondContact O-CB 3.46Å; R377-Q380 PolarHBondContact O-N 3.08Å; Q380-Q382 PolarHBondContact O-N 3Å; Q380-R383 PolarHBondContact O-N 3.43Å; Q380-R383 VanDerWaalsContact O-N 3.07Å; Q380-Q384 PolarHBondContact O-N 3.34Å
381E92.4Very high83.3Confident87 Ų87106.8 Ų106.841%0.40751%0.51SS..Hα-helixtrans-55.2-50175.4-68.1149.9-157.900111.1R377 R378 R383 Q384 Q385R377-E381 WeakPolarHBondContact CB-OE1 3.4Å; R377-E381 WeakPolarHBondContact O-CG 3.13Å; R377-E381 PolarHBondContact O-N 2.96Å; R378-E381 WeakPolarHBondContact CA-OE2 3.34Å; E381-R383 VanDerWaalsContact C-N 3.26Å; E381-R383 PolarHBondContact O-N 3.2Å; E381-Q384 PolarHBondContact O-N 3.37Å; E381-Q385 WeakPolarHBondContact O-CG 3.32Å; E381-Q385 PolarHBondContact O-N 3.24Å
382Q90.2Very high81.2Confident110 Ų110107.5 Ų107.551%0.51452%0.517SS..Hα-helixtrans-63-30.8177.4-174.9176.964.200112.9R378 Q380 Q386R378-Q382 VanDerWaalsContact O-CB 3.27Å; R378-Q382 WeakPolarHBondContact O-CB 3.41Å; R378-Q382 PolarHBondContact O-N 2.74Å; Q380-Q382 PolarHBondContact O-N 3Å; Q382-Q386 VanDerWaalsContact O-CG 3.29Å; Q382-Q386 WeakPolarHBondContact O-CG 3.27Å; Q382-Q386 PolarHBondContact O-N 2.81Å
383R91.8Very high78.8Confident134 Ų134108.9 Ų108.951%0.50653%0.531SS..Hα-helixtrans-76.8-34.8175-78.1-178.368.5-98.4-10112.8L379 Q380 E381 Q386 Q387L379-R383 WeakPolarHBondContact O-CB 3.37Å; L379-R383 VanDerWaalsContact O-CG 3.25Å; L379-R383 WeakPolarHBondContact O-CG 3.38Å; L379-R383 PolarHBondContact O-N 3.1Å; Q380-R383 PolarHBondContact O-N 3.43Å; Q380-R383 VanDerWaalsContact O-N 3.07Å; E381-R383 VanDerWaalsContact C-N 3.26Å; E381-R383 PolarHBondContact O-N 3.2Å; R383-Q386 PolarHBondContact O-N 2.97Å; R383-Q387 WeakPolarHBondContact O-CG 3.45Å; R383-Q387 PolarHBondContact O-N 2.95Å
384Q86.3Confident76.5Confident112 Ų112114.8 Ų114.852%0.52355%0.553SS.*Hα-helixtrans-65.1-48.8174.8-74.8168.9-27.100110.6Q380 E381 Q386 Q387 D388Q380-Q384 PolarHBondContact O-N 3.34Å; E381-Q384 PolarHBondContact O-N 3.37Å; Q384-Q386 PolarHBondContact O-N 3.11Å; Q384-Q386 VanDerWaalsContact O-N 3.13Å; Q384-Q387 WeakPolarHBondContact O-CA 3.18Å; Q384-Q387 PolarHBondContact O-N 2.87Å; Q384-D388 PolarHBondContact O-N 3.23Å
385Q81.8Confident74.4Confident138 Ų138117.4 Ų117.465%0.64557%0.573SS**Hα-helixtrans-55.2-34.5175.4-68.1169.211.300113.2E381 G389E381-Q385 WeakPolarHBondContact O-CG 3.32Å; E381-Q385 PolarHBondContact O-N 3.24Å; Q385-G389 PolarHBondContact O-N 2.97Å
386Q77.7Confident71.9Confident132 Ų132115.4 Ų115.462%0.61758%0.579SS**Hα-helixtrans-74.4-23.5174.5-73172.725.900114.1Q382 R383 Q384Q382-Q386 VanDerWaalsContact O-CG 3.29Å; Q382-Q386 WeakPolarHBondContact O-CG 3.27Å; Q382-Q386 PolarHBondContact O-N 2.81Å; R383-Q386 PolarHBondContact O-N 2.97Å; Q384-Q386 PolarHBondContact O-N 3.11Å; Q384-Q386 VanDerWaalsContact O-N 3.13Å
387Q68.3Low69.2Low121 Ų121115.5 Ų115.557%0.56560%0.595SS**Hα-helixtrans-85.1-43175.3-68.4-173.5-75.400111.2R383 Q384 G389 A390R383-Q387 WeakPolarHBondContact O-CG 3.45Å; R383-Q387 PolarHBondContact O-N 2.95Å; Q384-Q387 WeakPolarHBondContact O-CA 3.18Å; Q384-Q387 PolarHBondContact O-N 2.87Å; Q387-G389 VanDerWaalsContact C-N 3.35Å; Q387-G389 PolarHBondContact O-N 3.22Å; Q387-A390 VanDerWaalsContact O-CB 3.25Å; Q387-A390 WeakPolarHBondContact O-CB 3.43Å; Q387-A390 PolarHBondContact O-N 2.94Å; Q387-A390 VanDerWaalsContact O-N 3.11Å
388D60.6Low66.9Low120 Ų120115.6 Ų115.664%0.64261%0.607SS**Hα-helixtrans-68-36.5177.5-57.8-37.5000111.3Q384 A390 V391Q384-D388 PolarHBondContact O-N 3.23Å; D388-A390 PolarHBondContact O-N 3.12Å; D388-V391 PolarHBondContact O-N 3.22Å
389G54.4Low64.6Low52 Ų52116.8 Ų116.854%0.53662%0.623SS.*G310 helixtrans-66.2-10.7171.700000115.3Q385 Q387 S393Q385-G389 PolarHBondContact O-N 2.97Å; Q387-G389 VanDerWaalsContact C-N 3.35Å; Q387-G389 PolarHBondContact O-N 3.22Å; G389-S393 PolarHBondContact O-OG 3.06Å
390A48.1Very low62.1Low60 Ų60122.2 Ų122.250%0.49664%0.642SS.*G310 helixtrans-81.8-12.3-179.700000113.8Q387 D388 N392 S393Q387-A390 VanDerWaalsContact O-CB 3.25Å; Q387-A390 WeakPolarHBondContact O-CB 3.43Å; Q387-A390 PolarHBondContact O-N 2.94Å; Q387-A390 VanDerWaalsContact O-N 3.11Å; D388-A390 PolarHBondContact O-N 3.12Å; A390-N392 VanDerWaalsContact C-N 3.26Å; A390-N392 PolarHBondContact O-N 2.96Å; A390-S393 WeakPolarHBondContact CA-OG 3.25Å; A390-S393 PolarHBondContact O-OG 2.96Å
391V50.4Low59.9Low118 Ų118129.4 Ų129.472%0.71567%0.665SS**G310 helixtrans-71.2-17-172-178.10000113.2D388D388-V391 PolarHBondContact O-N 3.22Å
392N53.8Low57.3Low128 Ų128128.2 Ų128.268%0.68468%0.676SS**G310 helixtrans-14035.3-179.6-107.6-39.3000115.3A390 R394A390-N392 VanDerWaalsContact C-N 3.26Å; A390-N392 PolarHBondContact O-N 2.96Å; N392-R394 VanDerWaalsContact C-N 3.32Å; N392-R394 PolarHBondContact O-N 3.46Å
393S45.8Very low54.9Low75 Ų75129.4 Ų129.452%0.52469%0.691SS.*THydrogen-bonded Turntrans-83.511.2-176.4-35.20000115.7G389 A390G389-S393 PolarHBondContact O-OG 3.06Å; A390-S393 WeakPolarHBondContact CA-OG 3.25Å; A390-S393 PolarHBondContact O-OG 2.96Å
394R45.8Very low52.3Low242 Ų242128.2 Ų128.291%0.91370%0.703SS**THydrogen-bonded Turntrans-116.40.2-168.2-122.4176.5-176.7146.51.7117.4N392N392-R394 VanDerWaalsContact C-N 3.32Å; N392-R394 PolarHBondContact O-N 3.46Å
395T48.9Very low50.3Low119 Ų119128.5 Ų128.573%0.7372%0.718SS**SBendtrans-126.5-12.9179.946.10000114.7
396S42.7Very low48.1Very low85 Ų85127.5 Ų127.559%0.59473%0.726SS**SBendtrans-98.2-12.9-173.553.70000115.4L398S396-L398 VanDerWaalsContact C-N 3.33Å; S396-L398 PolarHBondContact O-N 3.04Å
397A40.2Very low46.2Very low93 Ų93125.9 Ų125.977%0.76973%0.729SS**THydrogen-bonded Turntrans-78.5-3.4-169.200000116
398L44.2Very low45.3Very low166 Ų166126.6 Ų126.687%0.86974%0.744SS**THydrogen-bonded Turntrans-110.2-5.1-172.6-94.8166.2000115.7S396S396-L398 VanDerWaalsContact C-N 3.33Å; S396-L398 PolarHBondContact O-N 3.04Å
399L45.7Very low44.3Very low159 Ų159130.9 Ų130.983%0.83275%0.753SS**SBendtrans-111.48.1-172.1-85.5167.8000115.9
400K43.2Very low43.7Very low210 Ų210134.6 Ų134.691%0.91377%0.766SS**  trans-128.562.1175-71.4-167.9175.5-176.90113.2
401R45.3Very low43.5Very low256 Ų256136.8 Ų136.897%0.96678%0.777SS**  trans-123.665.3164.6-158.1179.5-153.3-147.34.5110.9
402G37.8Very low43.3Very low62 Ų62137.3 Ų137.364%0.63978%0.783SS**  trans-154.6142.1178.700000112.9
403T40.4Very low43Very low135 Ų135142.5 Ų142.583%0.82879%0.793SS**  trans46.694.1158.258.20000119.7
404S36.9Very low42.4Very low109 Ų109143.5 Ų143.576%0.76281%0.806SS**  29.2128.5121.759.80000122.3
405S43.6Very low42.1Very low119 Ų119137.1 Ų137.183%0.83280%0.798SS**  trans84.9155.2139.7-151.20000120.5
406S35.8Very low42.1Very low117 Ų117137.5 Ų137.582%0.81880%0.803SS**  trans66.7133179.673.70000117.8
407S38.5Very low42Very low98 Ų98145 Ų14569%0.68582%0.818SS**  trans-116.2130.5169.153.50000108.9Y409S407-Y409 VanDerWaalsContact C-N 3.29Å; S407-Y409 PolarHBondContact O-N 3.18Å
408P49Very low41.9Very low136 Ų136146.1 Ų146.188%0.88382%0.82SS**SBendtrans-86.757.3-168.136.7-38.4000112.9
409Y39.9Very low41.5Very low209 Ų209143.6 Ų143.682%0.8282%0.816SS**  trans-142.5119.5172.9-138.8-95.4000111.9S407S407-Y409 VanDerWaalsContact C-N 3.29Å; S407-Y409 PolarHBondContact O-N 3.18Å
410T42.6Very low41.3Very low131 Ų131142 Ų14280%0.80482%0.816SS**PPolyproline II helixtrans-92.7123.9179.8-50.60000109.7
411S43.1Very low41.3Very low106 Ų106141.9 Ų141.974%0.74182%0.815SS**PPolyproline II helixtrans-64.4140176.8-54.40000111.8
412P45.9Very low40.9Very low129 Ų129137.7 Ų137.784%0.83881%0.811SS**PPolyproline II helixtrans-58.3147175-26.535.7000113.8
413R46.9Very low41.2Very low237 Ų237141.7 Ų141.789%0.89482%0.823SS**PPolyproline II helixtrans-78.9136.3-178.8-169.6174.4-175.5-103.28.9110.7
414A34.1Very low41.1Very low95 Ų95139.4 Ų139.479%0.78582%0.818SS**PPolyproline II helixtrans-69.3146.2-179.400000113
415S38.6Very low41.6Very low109 Ų109144.3 Ų144.376%0.76283%0.826SS**PPolyproline II helixtrans-97.1154.9176.6-66.40000112
416P50.4Low41.4Very low126 Ų126148.3 Ų148.382%0.81883%0.828SS**  trans-100.323-157.740-38.4000116.5
417W39.2Very low41.8Very low243 Ų243151.1 Ų151.192%0.9283%0.829SS**PPolyproline II helixtrans-101.1130.5-177.2-114.1-60.1000113.3
418S38.3Very low42.3Very low117 Ų117152.2 Ų152.282%0.81883%0.833SS**PPolyproline II helixtrans-93.7127.4175.9-62.90000112.2
419S36.3Very low42Very low112 Ų112153.9 Ų153.978%0.78383%0.834SS**PPolyproline II helixtrans-77.8156.1173.9-51.50000112.7
420P42.1Very low42.4Very low127 Ų127152.5 Ų152.583%0.82584%0.835SS**PPolyproline II helixtrans-67.4158.1-177.5-2134.3000114.7
421K42Very low42.7Very low207 Ų207154.8 Ų154.890%0.984%0.836SS**PPolyproline II helixtrans-84.1118.3178.4-68173.8-178.7168.60111.7
422L37.7Very low43.2Very low168 Ų168158.5 Ų158.588%0.8884%0.842SS**PPolyproline II helixtrans-94.5155.9159-70173.2000111A424L422-A424 PolarHBondContact O-N 2.93Å
423T44.4Very low43.5Very low145 Ų145160.8 Ų160.889%0.8984%0.839SS**  trans-83.196.6-165.339.80000113.3K425T423-K425 PolarHBondContact O-N 2.95Å
424A38.3Very low43.9Very low88 Ų88159 Ų15973%0.72784%0.837SS**  trans-67.2120.3-179.900000113.6L422 K426L422-A424 PolarHBondContact O-N 2.93Å; A424-K426 PolarHBondContact O-N 2.83Å; A424-K426 VanDerWaalsContact O-N 3.13Å
425K46.1Very low45Very low211 Ų211165 Ų16592%0.91784%0.84SS**  trans-63.2108.4160.4-77.4-178.3177.1175.20108.9T423 Q427T423-K425 PolarHBondContact O-N 2.95Å; K425-Q427 PolarHBondContact O-N 3.08Å; K425-Q427 VanDerWaalsContact O-N 3.15Å
426K40.8Very low45.7Very low204 Ų204165.6 Ų165.689%0.88784%0.841SS**  trans-72.6103.1-178.6-69.7179.8178.4176.30111.7A424A424-K426 PolarHBondContact O-N 2.83Å; A424-K426 VanDerWaalsContact O-N 3.13Å
427Q44.6Very low46.2Very low176 Ų176164.3 Ų164.382%0.82283%0.831SS**  trans-94137.4147.7-73.4-171.4-11.700109.1K425 L429K425-Q427 PolarHBondContact O-N 3.08Å; K425-Q427 VanDerWaalsContact O-N 3.15Å; Q427-L429 PolarHBondContact O-N 3.14Å; Q427-L429 VanDerWaalsContact O-N 3.12Å
428P47.3Very low47.2Very low121 Ų121163.3 Ų163.379%0.78683%0.827SS**  trans-80.194.8-176.831.3-34000111.7Q430P428-Q430 PolarHBondContact O-N 3.14Å; P428-Q430 VanDerWaalsContact O-N 3.1Å
429L44.3Very low48.3Very low170 Ų170165.2 Ų165.289%0.8983%0.825SS**  trans-62.8105.6166.4-83.9155.6000110.3Q427Q427-L429 PolarHBondContact O-N 3.14Å; Q427-L429 VanDerWaalsContact O-N 3.12Å
430Q48.1Very low49.4Very low180 Ų180164.6 Ų164.684%0.84181%0.812SS**  trans-74.7134.1169-68.3-169.8-1.500110.1P428 E432P428-Q430 PolarHBondContact O-N 3.14Å; P428-Q430 VanDerWaalsContact O-N 3.1Å; Q430-E432 PolarHBondContact O-N 3.12Å
431Q48.7Very low50.2Low179 Ų179161.4 Ų161.484%0.83680%0.796SS**  trans-69.1115.4-179.9-67.9176.6-17.300111.3K433Q431-K433 PolarHBondContact O-N 2.6Å
432E52.5Low51.2Low184 Ų184158 Ų15886%0.8678%0.784SS**  trans-68.194174.6-73.6-153.4129.300112.3Q430 K434Q430-E432 PolarHBondContact O-N 3.12Å; E432-K434 PolarHBondContact O-N 3.39Å
433K52.8Low52.5Low178 Ų178155.1 Ų155.177%0.77477%0.773SS**  trans-70.298158.8-68.4-172.4179.5-177.50108.6Q431 R435Q431-K433 PolarHBondContact O-N 2.6Å; K433-R435 WeakPolarHBondContact O-CG 3.44Å; K433-R435 PolarHBondContact O-N 3.27Å
434K55.8Low53.7Low198 Ų198152.4 Ų152.486%0.86175%0.752SS**  trans-47.3108.5176.7-67.9-176.3178.3-1790110.8E432E432-K434 PolarHBondContact O-N 3.39Å
435R56.1Low55.2Low221 Ų221155.6 Ų155.683%0.83475%0.749SS**  trans-89.1143176.6-62.6-168.3-177.7-142.32.2110.2K433 T437K433-R435 WeakPolarHBondContact O-CG 3.44Å; K433-R435 PolarHBondContact O-N 3.27Å; R435-T437 PolarHBondContact O-N 3.22Å
436P54.8Low56.1Low122 Ų122148.7 Ų148.779%0.79273%0.732SS**  trans-71112.5-178.127.7-34000111.5R438P436-R438 PolarHBondContact O-N 3.27Å
437T59.3Low57.2Low100 Ų100145.3 Ų145.361%0.61372%0.719SS**  trans-77.654.5-178.943.60000113R435 M439 I440R435-T437 PolarHBondContact O-N 3.22Å; T437-M439 VanDerWaalsContact C-N 3.29Å; T437-M439 PolarHBondContact O-N 3.01Å; T437-M439 VanDerWaalsContact O-N 3.11Å; T437-I440 HydrophobicContact CG2-CD1 4.07Å; T437-I440 PolarHBondContact O-N 2.93Å; T437-I440 VanDerWaalsContact O-N 3.11Å
438R60.8Low58.1Low222 Ų222142.8 Ų142.884%0.83871%0.707SS**Hα-helixtrans-57.5-32.1-165.6-156.4173.7-173.4174.31.6114.9P436P436-R438 PolarHBondContact O-N 3.27Å
439M60.4Low58.7Low156 Ų156140.9 Ų140.977%0.76870%0.702SS**Hα-helixtrans-79.4-31.5178.3-97.6175.8153.400114.8T437 A441 E442 V443T437-M439 VanDerWaalsContact C-N 3.29Å; T437-M439 PolarHBondContact O-N 3.01Å; T437-M439 VanDerWaalsContact O-N 3.11Å; M439-A441 PolarHBondContact O-N 3.22Å; M439-E442 PolarHBondContact O-N 3.44Å; M439-V443 PolarHBondContact O-N 3.4Å
440I60.4Low59.3Low99 Ų99135.5 Ų135.551%0.50869%0.687SS.*Hα-helixtrans-65.9-33-179.6-66.5165.1000110T437 E442 V443 I444T437-I440 HydrophobicContact CG2-CD1 4.07Å; T437-I440 PolarHBondContact O-N 2.93Å; T437-I440 VanDerWaalsContact O-N 3.11Å; I440-E442 VanDerWaalsContact C-N 3.32Å; I440-E442 PolarHBondContact O-N 3.47Å; I440-V443 PolarHBondContact O-N 3.06Å; I440-I444 HydrophobicContact CG2-CD1 3.72Å; I440-I444 HydrophobicContact CG2-CG1 4.23Å; I440-I444 WeakPolarHBondContact O-CG1 3.47Å; I440-I444 PolarHBondContact O-N 3.4Å
441A59.1Low59.3Low60 Ų60130.3 Ų130.350%0.49667%0.67SS.*Hα-helixtrans-60.1-36.9176.100000113.4M439 K445M439-A441 PolarHBondContact O-N 3.22Å; A441-K445 WeakPolarHBondContact O-CB 3.45Å; A441-K445 PolarHBondContact O-N 3.07Å
442E62.5Low59.3Low136 Ų136130.7 Ų130.764%0.63667%0.669SS**Hα-helixtrans-75-38.6178.6-69.3-174.2128.200112.2M439 I440 K445 A446M439-E442 PolarHBondContact O-N 3.44Å; I440-E442 VanDerWaalsContact C-N 3.32Å; I440-E442 PolarHBondContact O-N 3.47Å; E442-K445 PolarHBondContact O-N 3.42Å; E442-A446 WeakPolarHBondContact O-CB 3.4Å; E442-A446 PolarHBondContact O-N 2.7Å
443V66.1Low59.1Low107 Ų107131.4 Ų131.465%0.64867%0.67SS**Hα-helixtrans-62.4-43.7174.21790000111M439 I440 A446 H447M439-V443 PolarHBondContact O-N 3.4Å; I440-V443 PolarHBondContact O-N 3.06Å; V443-A446 PolarHBondContact O-N 3.22Å; V443-H447 WeakPolarHBondContact O-CB 3.47Å; V443-H447 PolarHBondContact O-N 3.09Å
444I69.4Low58.6Low89 Ų89128.4 Ų128.446%0.45667%0.666SS.*Hα-helixtrans-62-47.9173.8-69.7170.2000110.6I440 A446 H447 E448I440-I444 HydrophobicContact CG2-CD1 3.72Å; I440-I444 HydrophobicContact CG2-CG1 4.23Å; I440-I444 WeakPolarHBondContact O-CG1 3.47Å; I440-I444 PolarHBondContact O-N 3.4Å; I444-A446 VanDerWaalsContact C-N 3.3Å; I444-A446 PolarHBondContact O-N 3.13Å; I444-H447 WeakPolarHBondContact O-CB 3.39Å; I444-H447 PolarHBondContact O-N 3.44Å; I444-H447 VanDerWaalsContact O-N 3.09Å; I444-E448 HydrophobicContact CG2-CG 4.28Å; I444-E448 WeakPolarHBondContact O-CG 3.39Å; I444-E448 PolarHBondContact O-N 2.94Å
445K69.4Low57.7Low154 Ų154125.5 Ų125.567%0.6767%0.665SS**Hα-helixtrans-62.2-35.3-178.9-169.5177.3-177.3-175.30112.7A441 E442 A449A441-K445 WeakPolarHBondContact O-CB 3.45Å; A441-K445 PolarHBondContact O-N 3.07Å; E442-K445 PolarHBondContact O-N 3.42Å; K445-A449 WeakPolarHBondContact O-CB 3.16Å; K445-A449 PolarHBondContact O-N 3.43Å; K445-A449 VanDerWaalsContact O-N 3.12Å
446A65Low56.8Low66 Ų66124.3 Ų124.355%0.54567%0.666SS.*Hα-helixtrans-68.4-42.617200000112.1E442 V443 I444 A449 G450E442-A446 WeakPolarHBondContact O-CB 3.4Å; E442-A446 PolarHBondContact O-N 2.7Å; V443-A446 PolarHBondContact O-N 3.22Å; I444-A446 VanDerWaalsContact C-N 3.3Å; I444-A446 PolarHBondContact O-N 3.13Å; A446-A449 PolarHBondContact O-N 3.32Å; A446-G450 PolarHBondContact O-N 3.15Å
447H63.8Low56.1Low134 Ų134123 Ų12362%0.6267%0.666SS**Hα-helixtrans-64.2-41.1176.9-173.9-87000112.5V443 I444 G450 S451V443-H447 WeakPolarHBondContact O-CB 3.47Å; V443-H447 PolarHBondContact O-N 3.09Å; I444-H447 WeakPolarHBondContact O-CB 3.39Å; I444-H447 PolarHBondContact O-N 3.44Å; I444-H447 VanDerWaalsContact O-N 3.09Å; H447-G450 PolarHBondContact O-N 3.35Å; H447-S451 PolarHBondContact CE1-OG 3.25Å; H447-S451 WeakPolarHBondContact O-CB 3.37Å; H447-S451 PolarHBondContact O-N 2.82Å; H447-S451 PolarHBondContact O-OG 3.43Å
448E64.3Low55Low123 Ų123128.1 Ų128.158%0.57568%0.679SS**Hα-helixtrans-65.9-37.3174.7-72.6-175.2161.900112.7I444I444-E448 HydrophobicContact CG2-CG 4.28Å; I444-E448 WeakPolarHBondContact O-CG 3.39Å; I444-E448 PolarHBondContact O-N 2.94Å
449A59.7Low53.7Low81 Ų81121 Ų12167%0.66968%0.675SS**Hα-helixtrans-65.6-39.4174.600000112.1K445 A446K445-A449 WeakPolarHBondContact O-CB 3.16Å; K445-A449 PolarHBondContact O-N 3.43Å; K445-A449 VanDerWaalsContact O-N 3.12Å; A446-A449 PolarHBondContact O-N 3.32Å
450G55.6Low52.6Low57 Ų57123.7 Ų123.759%0.58868%0.682SS**Hα-helixtrans-71.3-36.8175.800000114.2A446 H447 K452A446-G450 PolarHBondContact O-N 3.15Å; H447-G450 PolarHBondContact O-N 3.35Å; G450-K452 VanDerWaalsContact C-N 3.26Å; G450-K452 PolarHBondContact O-N 2.77Å; G450-K452 VanDerWaalsContact O-N 3.13Å
451S49Very low51.5Low70 Ų70129.6 Ų129.649%0.4970%0.704SS.*Hα-helixtrans-67.4-15.6-169.3-66.10000115.5H447 K453H447-S451 PolarHBondContact CE1-OG 3.25Å; H447-S451 WeakPolarHBondContact O-CB 3.37Å; H447-S451 PolarHBondContact O-N 2.82Å; H447-S451 PolarHBondContact O-OG 3.43Å; S451-K453 VanDerWaalsContact C-N 3.3Å; S451-K453 PolarHBondContact O-N 2.67Å
452K48.4Very low50.2Low187 Ų187130 Ų13081%0.81372%0.715SS**THydrogen-bonded Turntrans-81.16.9-173.9-73.2-176.1177.4175.80115.7G450G450-K452 VanDerWaalsContact C-N 3.26Å; G450-K452 PolarHBondContact O-N 2.77Å; G450-K452 VanDerWaalsContact O-N 3.13Å
453K48.3Very low48.8Very low199 Ų199134 Ų13487%0.86573%0.73SS**  trans-114.739.7-178.5-84.5-166.5174.5-1770116.1S451S451-K453 VanDerWaalsContact C-N 3.3Å; S451-K453 PolarHBondContact O-N 2.67Å
454V42.4Very low47.5Very low116 Ų116138.8 Ų138.870%0.70374%0.742SS**  trans-130.769.2163.6-165.60000112.2K456V454-K456 HydrophobicContact CG1-CB 4.42Å; V454-K456 HydrophobicContact CG1-CG 4.2Å; V454-K456 PolarHBondContact O-N 3.37Å
455T37.1Very low45.6Very low136 Ų136140.3 Ų140.383%0.83476%0.761SS**  trans-75.468168.144.30000111.5A457T455-A457 PolarHBondContact O-N 2.69Å
456K36.7Very low43.6Very low197 Ų197142.9 Ų142.986%0.85777%0.772SS**  trans-75.366.3170.5-95.3-171.1176.6177.10111.9V454 K458V454-K456 HydrophobicContact CG1-CB 4.42Å; V454-K456 HydrophobicContact CG1-CG 4.2Å; V454-K456 PolarHBondContact O-N 3.37Å; K456-K458 PolarHBondContact O-N 3.33Å
457A40.6Very low42.4Very low95 Ų95144.7 Ų144.779%0.78579%0.787SS**  trans-73.8101164.500000109.9T455T455-A457 PolarHBondContact O-N 2.69Å
458K36.8Very low40.8Very low206 Ų206147.6 Ų147.690%0.89680%0.798SS**  trans-130.9111.5156.6-81.1-162.5172.3-171.50108.7K456K456-K458 PolarHBondContact O-N 3.33Å
459G31.6Very low39.6Very low73 Ų73150 Ų15075%0.75381%0.809SS**  trans-87.6179.9179.700000113.5
460K38.3Very low38.5Very low213 Ų213152.6 Ų152.693%0.92682%0.817SS**  trans47.494.7165.5-65.3-176.6175.5-178.50116.1G462K460-G462 PolarHBondContact O-N 3.45Å
461K36.4Very low37.6Very low222 Ų222159.1 Ų159.197%0.96583%0.829SS**  trans-66126.4149.7-85-171.2172.2-175.60108.4
462G32.3Very low37.1Very low70 Ų70158.1 Ų158.172%0.72283%0.83SS**  trans-157.1135.6177.700000112.1K460K460-G462 PolarHBondContact O-N 3.45Å
463K32.7Very low37.2Very low219 Ų219158.2 Ų158.295%0.95283%0.833SS**  trans67.4145.1178.9-106177177.8178.90118.4
464K39.1Very low37.2Very low207 Ų207153.6 Ų153.690%0.982%0.822SS**  trans-82.7154.8168.9-55.2175.2179.5179.80109.5
465S30.5Very low37.6Very low121 Ų121150.2 Ų150.285%0.84681%0.811SS**  trans-147.9152.8155.753.70000109.9
466K27.9Very low38.3Very low208 Ų208147.5 Ų147.590%0.90480%0.796SS**  trans-43.1147-169.6-79-178.8165.8-175.30115.4
467A38.3Very low39.3Very low105 Ų105143.2 Ų143.287%0.86878%0.782SS**  trans-61.1145.9161.300000110.9
468K31.1Very low40Very low195 Ų195144.2 Ų144.285%0.84877%0.773SS**  trans-142.6129.7157.3-175.5171.6-175.8173.70105.9
469E39.3Very low41.2Very low172 Ų172141.6 Ų141.680%0.80476%0.762SS**  trans-63140.4-177.5-63.4172.594.600111.6
470T36.4Very low42.5Very low137 Ų137144.4 Ų144.484%0.8476%0.755SS**  trans-12894.9167.4530000108.2
471K37.3Very low43.4Very low194 Ų194138.6 Ų138.684%0.84373%0.734SS**  trans-60.9139.5175.3-66.6-178.3175.3-177.10110.8
472G38.4Very low44.3Very low49 Ų49136.1 Ų136.151%0.50572%0.723SS.*  trans58.9106.4152.400000118.7T474 G475G472-T474 PolarHBondContact O-N 3.01Å; G472-T474 VanDerWaalsContact O-N 3.12Å; G472-G475 PolarHBondContact O-N 3.15Å
473E48.7Very low45.5Very low189 Ų189138.7 Ų138.788%0.88372%0.72SS**THydrogen-bonded Turntrans-64.7-14.1172.3-63.1-179.4124.200113.5G475 C476E473-G475 PolarHBondContact O-N 3.39Å; E473-C476 PolarHBondContact O-N 3.12Å
474T49.3Very low46.7Very low101 Ų101131.9 Ų131.962%0.6271%0.705SS**Hα-helixtrans-56-27.3170.748.90000113.6G472 C476 I477G472-T474 PolarHBondContact O-N 3.01Å; G472-T474 VanDerWaalsContact O-N 3.12Å; T474-C476 PolarHBondContact O-N 3.33Å; T474-C476 VanDerWaalsContact O-N 3.12Å; T474-I477 PolarHBondContact O-N 2.86Å
475G49.9Very low47.3Very low46 Ų46129 Ų12947%0.47470%0.699SS.*Hα-helixtrans-65.8-9.2177.800000115.1G472 E473G472-G475 PolarHBondContact O-N 3.15Å; E473-G475 PolarHBondContact O-N 3.39Å
476C53.6Low48.3Very low79 Ų79133 Ų13353%0.53470%0.695SS.*Hα-helixtrans-83.6-50.9173.9-159.80000111.6E473 T474 L478 K479 E480E473-C476 PolarHBondContact O-N 3.12Å; T474-C476 PolarHBondContact O-N 3.33Å; T474-C476 VanDerWaalsContact O-N 3.12Å; C476-L478 PolarHBondContact O-N 2.88Å; C476-K479 WeakPolarHBondContact O-CA 3.34Å; C476-K479 VanDerWaalsContact O-CB 3.23Å; C476-K479 WeakPolarHBondContact O-CB 3.38Å; C476-K479 PolarHBondContact O-N 3.14Å; C476-E480 PolarHBondContact O-N 3.38Å
477I56.6Low49.1Very low107 Ų107129 Ų12955%0.54969%0.69SS.*Hα-helixtrans-62.3-46.2-173.5-58.5169.9000111.4T474 K479 E480 L481T474-I477 PolarHBondContact O-N 2.86Å; I477-K479 PolarHBondContact O-N 2.94Å; I477-E480 PolarHBondContact O-N 2.97Å; I477-E480 VanDerWaalsContact O-N 3.1Å; I477-L481 HydrophobicContact CG2-CD1 4.03Å; I477-L481 PolarHBondContact O-N 3.36Å
478L56.3Low49.6Very low116 Ų116131 Ų13161%0.60769%0.691SS**Hα-helixtrans-62.6-26.4177.3-66.1172.8000112.8C476 L481 K482C476-L478 PolarHBondContact O-N 2.88Å; L478-L481 HydrophobicContact CD2-CD1 4.46Å; L478-K482 VanDerWaalsContact O-CB 3.32Å; L478-K482 WeakPolarHBondContact O-CB 3.46Å; L478-K482 PolarHBondContact O-N 3.27Å; L478-K482 VanDerWaalsContact O-N 3.11Å
479K61.1Low50Low150 Ų150126.9 Ų126.965%0.65269%0.687SS**Hα-helixtrans-76.9-27.8177.8-136.2170.8-170.8171.10112.2C476 I477 N483C476-K479 WeakPolarHBondContact O-CA 3.34Å; C476-K479 VanDerWaalsContact O-CB 3.23Å; C476-K479 WeakPolarHBondContact O-CB 3.38Å; C476-K479 PolarHBondContact O-N 3.14Å; I477-K479 PolarHBondContact O-N 2.94Å; K479-N483 PolarHBondContact O-ND2 2.9Å
480E59.6Low50.3Low132 Ų132123.5 Ų123.562%0.61769%0.689SS**Hα-helixtrans-80.9-44.5173.9-64.6-175.2146.100110.8C476 I477 K482 N483 A484C476-E480 PolarHBondContact O-N 3.38Å; I477-E480 PolarHBondContact O-N 2.97Å; I477-E480 VanDerWaalsContact O-N 3.1Å; E480-K482 VanDerWaalsContact C-N 3.35Å; E480-K482 PolarHBondContact O-N 3.05Å; E480-N483 PolarHBondContact O-N 3.38Å; E480-A484 PolarHBondContact O-N 3.14Å; E480-A484 VanDerWaalsContact O-N 3.09Å
481L56.6Low50.6Low92 Ų92126.1 Ų126.148%0.48269%0.692SS.*Hα-helixtrans-57-43.8174.4-72.9168.1000112.6I477 L478 N483 A484 L485I477-L481 HydrophobicContact CG2-CD1 4.03Å; I477-L481 PolarHBondContact O-N 3.36Å; L478-L481 HydrophobicContact CD2-CD1 4.46Å; L481-N483 PolarHBondContact O-N 2.58Å; L481-N483 VanDerWaalsContact O-N 3.14Å; L481-A484 PolarHBondContact O-N 3.19Å; L481-L485 PolarHBondContact O-N 3.35Å
482K56.4Low50.7Low170 Ų170128.9 Ų128.974%0.73970%0.697SS**Hα-helixtrans-58.4-24.5174.6179168.5179.9167.60114L478 E480L478-K482 VanDerWaalsContact O-CB 3.32Å; L478-K482 WeakPolarHBondContact O-CB 3.46Å; L478-K482 PolarHBondContact O-N 3.27Å; L478-K482 VanDerWaalsContact O-N 3.11Å; E480-K482 VanDerWaalsContact C-N 3.35Å; E480-K482 PolarHBondContact O-N 3.05Å
483N57Low50.9Low123 Ų123139 Ų13966%0.65872%0.72SS**Hα-helixtrans-93.2-18.9176.5-70.3-42.2000113.1K479 E480 L481K479-N483 PolarHBondContact O-ND2 2.9Å; E480-N483 PolarHBondContact O-N 3.38Å; L481-N483 PolarHBondContact O-N 2.58Å; L481-N483 VanDerWaalsContact O-N 3.14Å
484A58.1Low50.7Low76 Ų76134.1 Ų134.163%0.62871%0.712SS**Hα-helixtrans-79.6-36.9177.200000112.8E480 L481 R486E480-A484 PolarHBondContact O-N 3.14Å; E480-A484 VanDerWaalsContact O-N 3.09Å; L481-A484 PolarHBondContact O-N 3.19Å; A484-R486 PolarHBondContact O-N 3.27Å
485L51.8Low50Low147 Ų147138.8 Ų138.877%0.7773%0.727SS**  trans-9351-173.9-66172.1000113.7L481L481-L485 PolarHBondContact O-N 3.35Å
486R51.3Low49.8Very low204 Ų204146.1 Ų146.177%0.7775%0.749SS**  trans-101.5121162.8-84.5-171.7172.4-177.5-2.1109.9A484A484-R486 PolarHBondContact O-N 3.27Å
487P44.9Very low49.6Very low124 Ų124146.5 Ų146.581%0.80577%0.766SS**  trans-65.6137.7175.627.6-33.8000110.7
488V47.5Very low48.6Very low147 Ų147145 Ų14589%0.89178%0.777SS**  trans-102.184.8-177.4-1770000109.8
489S40.4Very low47.9Very low109 Ų109145.4 Ų145.476%0.76279%0.789SS**  trans-135.3123.4171.8-63.10000110.5
490A45.4Very low47.2Very low102 Ų102149.3 Ų149.384%0.84380%0.8SS**SBendtrans25.194.6161.300000119
491E43.2Very low46.4Very low191 Ų191148.7 Ų148.789%0.89381%0.808SS**  176.679.2118.8-97.7-171.1167.700112.4
492R38.8Very low46.2Very low253 Ų253149.6 Ų149.696%0.95582%0.821SS**  trans-15084.3152.1-75.2-154.7179.4-162-3.5111
493R43.5Very low46.1Very low260 Ų260147.3 Ų147.398%0.98182%0.822SS**  trans-11187.5156.4-94.6-171.8172.1171-1.9108.3
494A43.5Very low45.9Very low88 Ų88147.1 Ų147.173%0.72783%0.828SS**  trans-165.6145.6160.500000109.9
495E35.2Very low46Very low198 Ų198151.8 Ų151.893%0.92584%0.838SS**  trans68.8150.8168-49.7-159.6154.800118.5
496E45.4Very low46.2Very low201 Ų201152.2 Ų152.294%0.93983%0.83SS**  trans-119.9174.2-156-56.5-179.8114.200112.6
497G48.8Very low47.1Very low87 Ų87145 Ų14590%0.89781%0.811SS**  trans76.163.6155.400000117.6
498G34.8Very low48.6Very low76 Ų76142.7 Ų142.778%0.78480%0.802SS**  trans-149.195.8172.300000113.8R500G498-R500 PolarHBondContact O-N 3.32Å; G498-R500 VanDerWaalsContact O-N 3.08Å
499S43Very low50.3Low123 Ų123139.4 Ų139.486%0.8678%0.777SS**  trans-69.4104.3-176.958.50000112.7
500R45.3Very low52.3Low233 Ų233137 Ų13788%0.87976%0.756SS**PPolyproline II helixtrans-59.5133.5168.8-167.1177.4-171.8176.32.5109.6G498 S502G498-R500 PolarHBondContact O-N 3.32Å; G498-R500 VanDerWaalsContact O-N 3.08Å; R500-S502 PolarHBondContact O-N 3.06Å
501P43.6Very low54.2Low119 Ų119138.1 Ų138.177%0.77374%0.743SS**PPolyproline II helixtrans-63.4126.8-178.625.1-33.7000110.6
502S52.5Low56.4Low110 Ų110133.6 Ų133.677%0.76973%0.725SS**PPolyproline II helixtrans-63.1136.4179.2-173.50000110.9R500R500-S502 PolarHBondContact O-N 3.06Å
503T53.5Low58.8Low122 Ų122124.8 Ų124.875%0.74870%0.695SS**PPolyproline II helixtrans-63.6119.7172.533.10000109.3M505T503-M505 PolarHBondContact O-N 2.87Å
504P53.5Low60.9Low120 Ų120117.2 Ų117.278%0.77967%0.671SS**PPolyproline II helixtrans-62.1132.7-174.324.6-33.5000110.2R506P504-R506 PolarHBondContact O-N 3.13Å
505M59.4Low63Low174 Ų174116 Ų11686%0.85766%0.657SS**  trans-49.6113-164.4-68.4175.168.800113T503 S507T503-M505 PolarHBondContact O-N 2.87Å; M505-S507 PolarHBondContact O-N 3.41Å
506R55.9Low65.6Low155 Ų155111.2 Ų111.259%0.58564%0.637SS**  trans-73.619.6-177.4-165.6176.8-170.8-121.716113.3P504 A508 H509 D510P504-R506 PolarHBondContact O-N 3.13Å; R506-A508 PolarHBondContact O-N 3.2Å; R506-H509 HydrophobicContact CG-CB 4.09Å; R506-H509 VanDerWaalsContact CZ-CE1 3.5Å; R506-H509 PolarHBondContact NH1-ND1 2.93Å; R506-H509 PolarHBondContact O-N 3.47Å; R506-H509 VanDerWaalsContact O-N 3.11Å; R506-D510 VanDerWaalsContact CB-OD2 3.31Å; R506-D510 WeakPolarHBondContact CB-OD2 3.3Å; R506-D510 WeakPolarHBondContact CD-OD1 3.16Å; R506-D510 WeakPolarHBondContact CD-OD2 3.23Å; R506-D510 WeakPolarHBondContact CG-OD2 3.35Å; R506-D510 IonicContact CZ-OD1 3.54Å; R506-D510 IonicContact NE-OD1 3.09Å; R506-D510 IonicContact NH1-OD1 3.48Å; R506-D510 PolarHBondContact NH1-OD1 3.44Å; R506-D510 IonicContact NH1-OD2 3.85Å; R506-D510 PolarHBondContact O-N 2.89Å
507S72.1Confident67.8Low54 Ų54109.1 Ų109.138%0.37862%0.62SS.*Hα-helixtrans-57.9-43.9-161.8600000114M505 H509 D510 Q511M505-S507 PolarHBondContact O-N 3.41Å; S507-H509 PolarHBondContact O-N 3.39Å; S507-D510 PolarHBondContact O-N 2.92Å; S507-Q511 WeakPolarHBondContact O-CB 3.33Å; S507-Q511 WeakPolarHBondContact O-CG 3.33Å; S507-Q511 PolarHBondContact O-N 2.9Å
508A75.8Confident69.7Low75 Ų75109.1 Ų109.162%0.6261%0.606SS**Hα-helixtrans-65.2-37.8-179.600000112.9R506 L512R506-A508 PolarHBondContact O-N 3.2Å; A508-L512 WeakPolarHBondContact O-CB 3.41Å; A508-L512 PolarHBondContact O-N 3.09Å; A508-L512 VanDerWaalsContact O-N 3.1Å
509H83.3Confident72.5Confident77 Ų77109 Ų10936%0.35659%0.594SS.*Hα-helixtrans-71.2-44175172.1-79.4000110.9R506 S507 L512 M513R506-H509 HydrophobicContact CG-CB 4.09Å; R506-H509 VanDerWaalsContact CZ-CE1 3.5Å; R506-H509 PolarHBondContact NH1-ND1 2.93Å; R506-H509 PolarHBondContact O-N 3.47Å; R506-H509 VanDerWaalsContact O-N 3.11Å; S507-H509 PolarHBondContact O-N 3.39Å; H509-L512 WeakPolarHBondContact O-CB 3.5Å; H509-L512 PolarHBondContact O-N 3.26Å; H509-M513 WeakPolarHBondContact O-CG 3.32Å; H509-M513 PolarHBondContact O-N 3.18Å
510D82.3Confident74.7Confident60 Ų60105.7 Ų105.732%0.32157%0.57SS.*Hα-helixtrans-75.3-30-176-64-16.9000112R506 S507 M513 E514R506-D510 VanDerWaalsContact CB-OD2 3.31Å; R506-D510 WeakPolarHBondContact CB-OD2 3.3Å; R506-D510 WeakPolarHBondContact CD-OD1 3.16Å; R506-D510 WeakPolarHBondContact CD-OD2 3.23Å; R506-D510 WeakPolarHBondContact CG-OD2 3.35Å; R506-D510 IonicContact CZ-OD1 3.54Å; R506-D510 IonicContact NE-OD1 3.09Å; R506-D510 IonicContact NH1-OD1 3.48Å; R506-D510 PolarHBondContact NH1-OD1 3.44Å; R506-D510 IonicContact NH1-OD2 3.85Å; R506-D510 PolarHBondContact O-N 2.89Å; S507-D510 PolarHBondContact O-N 2.92Å; D510-M513 PolarHBondContact O-N 2.99Å; D510-E514 VanDerWaalsContact O-CB 3.31Å; D510-E514 WeakPolarHBondContact O-CB 3.4Å; D510-E514 PolarHBondContact O-N 2.92Å
511Q85.6Confident76.5Confident125 Ų125101.6 Ų101.658%0.58457%0.565SS**Hα-helixtrans-67-38.2166.8-74.2167.1-5.300112.1S507 E514 S515S507-Q511 WeakPolarHBondContact O-CB 3.33Å; S507-Q511 WeakPolarHBondContact O-CG 3.33Å; S507-Q511 PolarHBondContact O-N 2.9Å; Q511-E514 PolarHBondContact O-N 3.37Å; Q511-S515 VanDerWaalsContact O-CB 3.29Å; Q511-S515 WeakPolarHBondContact O-CB 3.36Å; Q511-S515 PolarHBondContact O-N 2.67Å; Q511-S515 PolarHBondContact O-OG 2.93Å
512L88.5Confident78.4Confident96 Ų96107.2 Ų107.250%0.50357%0.571SS.*Hα-helixtrans-62.7-45.9172173.862.3000110.6A508 H509 S515 I516A508-L512 WeakPolarHBondContact O-CB 3.41Å; A508-L512 PolarHBondContact O-N 3.09Å; A508-L512 VanDerWaalsContact O-N 3.1Å; H509-L512 WeakPolarHBondContact O-CB 3.5Å; H509-L512 PolarHBondContact O-N 3.26Å; L512-S515 WeakPolarHBondContact O-CB 3.38Å; L512-S515 PolarHBondContact O-N 3.49Å; L512-I516 HydrophobicContact CD1-CD1 4.01Å; L512-I516 HydrophobicContact CD1-CG1 4.39Å; L512-I516 HydrophobicContact CG-CD1 3.96Å; L512-I516 VanDerWaalsContact O-CG1 3.27Å; L512-I516 WeakPolarHBondContact O-CG1 3.47Å; L512-I516 PolarHBondContact O-N 2.83Å
513M88.6Confident79.9Confident67 Ų67107.3 Ų107.333%0.3356%0.563SS.*Hα-helixtrans-69.1-32.7178.8-66.1-62.916000112.9H509 D510 I516 R517H509-M513 WeakPolarHBondContact O-CG 3.32Å; H509-M513 PolarHBondContact O-N 3.18Å; D510-M513 PolarHBondContact O-N 2.99Å; M513-I516 HydrophobicContact CE-CD1 4.44Å; M513-I516 PolarHBondContact O-N 2.95Å; M513-I516 HydrophobicContact SD-CD1 4.05Å; M513-R517 WeakPolarHBondContact O-CG 3.25Å; M513-R517 PolarHBondContact O-N 3.49Å
514E88.7Confident81.4Confident102 Ų102107.2 Ų107.248%0.47756%0.557SS.*Hα-helixtrans-68.5-41.6170.5-165.458.7-13800111.4D510 Q511 I516 R517 S518D510-E514 VanDerWaalsContact O-CB 3.31Å; D510-E514 WeakPolarHBondContact O-CB 3.4Å; D510-E514 PolarHBondContact O-N 2.92Å; Q511-E514 PolarHBondContact O-N 3.37Å; E514-I516 VanDerWaalsContact C-N 3.3Å; E514-I516 PolarHBondContact O-N 3.26Å; E514-R517 PolarHBondContact O-N 3.01Å; E514-R517 IonicContact OE1-NE 3.15Å; E514-R517 IonicContact OE2-CZ 3.57Å; E514-R517 IonicContact OE2-NE 2.92Å; E514-R517 PolarHBondContact OE2-NE 3.14Å; E514-R517 IonicContact OE2-NH2 2.74Å; E514-R517 PolarHBondContact OE2-NH2 2.88Å; E514-S518 WeakPolarHBondContact O-CB 3.21Å; E514-S518 PolarHBondContact O-N 3.27Å; E514-S518 PolarHBondContact O-OG 3.47Å
515S88.1Confident82.9Confident62 Ų62112.8 Ų112.843%0.43456%0.563SS.*Hα-helixtrans-60.2-41.3173.5-58.10000111.1Q511 L512 S518 S519Q511-S515 VanDerWaalsContact O-CB 3.29Å; Q511-S515 WeakPolarHBondContact O-CB 3.36Å; Q511-S515 PolarHBondContact O-N 2.67Å; Q511-S515 PolarHBondContact O-OG 2.93Å; L512-S515 WeakPolarHBondContact O-CB 3.38Å; L512-S515 PolarHBondContact O-N 3.49Å; S515-S518 WeakPolarHBondContact CA-OG 3.29Å; S515-S518 PolarHBondContact O-N 3.13Å; S515-S518 PolarHBondContact O-OG 3.27Å; S515-S519 WeakPolarHBondContact O-CB 3.41Å; S515-S519 PolarHBondContact O-N 3.47Å; S515-S519 VanDerWaalsContact O-N 3.08Å; S515-S519 PolarHBondContact O-OG 3.44Å
516I89.8Confident84.1Confident97 Ų97114.6 Ų114.650%0.49756%0.56SS.*Hα-helixtrans-65.3-46.3174.1-69.1163.4000111.3L512 M513 E514 S518 S519L512-I516 HydrophobicContact CD1-CD1 4.01Å; L512-I516 HydrophobicContact CD1-CG1 4.39Å; L512-I516 HydrophobicContact CG-CD1 3.96Å; L512-I516 VanDerWaalsContact O-CG1 3.27Å; L512-I516 WeakPolarHBondContact O-CG1 3.47Å; L512-I516 PolarHBondContact O-N 2.83Å; M513-I516 HydrophobicContact CE-CD1 4.44Å; M513-I516 PolarHBondContact O-N 2.95Å; M513-I516 HydrophobicContact SD-CD1 4.05Å; E514-I516 VanDerWaalsContact C-N 3.3Å; E514-I516 PolarHBondContact O-N 3.26Å; I516-S518 VanDerWaalsContact C-N 3.3Å; I516-S518 PolarHBondContact O-N 3.04Å; I516-S519 WeakPolarHBondContact O-CB 3.49Å; I516-S519 PolarHBondContact O-N 2.92Å; I516-S519 VanDerWaalsContact O-N 3.14Å
517R91Very high85.5Confident158 Ų158113 Ų11360%0.59657%0.567SS**Hα-helixtrans-58.1-39.7175.6-79.9-174.6-71.5-87.35.6112.9M513 E514 S519M513-R517 WeakPolarHBondContact O-CG 3.25Å; M513-R517 PolarHBondContact O-N 3.49Å; E514-R517 PolarHBondContact O-N 3.01Å; E514-R517 IonicContact OE1-NE 3.15Å; E514-R517 IonicContact OE2-CZ 3.57Å; E514-R517 IonicContact OE2-NE 2.92Å; E514-R517 PolarHBondContact OE2-NE 3.14Å; E514-R517 IonicContact OE2-NH2 2.74Å; E514-R517 PolarHBondContact OE2-NH2 2.88Å; R517-S519 VanDerWaalsContact C-N 3.33Å
518S89.1Confident86Confident86 Ų86117.1 Ų117.160%0.60158%0.58SS**Hα-helixtrans-79.1-12.1179720000114.3E514 S515 I516E514-S518 WeakPolarHBondContact O-CB 3.21Å; E514-S518 PolarHBondContact O-N 3.27Å; E514-S518 PolarHBondContact O-OG 3.47Å; S515-S518 WeakPolarHBondContact CA-OG 3.29Å; S515-S518 PolarHBondContact O-N 3.13Å; S515-S518 PolarHBondContact O-OG 3.27Å; I516-S518 VanDerWaalsContact C-N 3.3Å; I516-S518 PolarHBondContact O-N 3.04Å
519S92.4Very high86.1Confident75 Ų75118.8 Ų118.852%0.52458%0.583SS.*  trans-84.2138.1-177.5-69.90000112S515 I516 R517S515-S519 WeakPolarHBondContact O-CB 3.41Å; S515-S519 PolarHBondContact O-N 3.47Å; S515-S519 VanDerWaalsContact O-N 3.08Å; S515-S519 PolarHBondContact O-OG 3.44Å; I516-S519 WeakPolarHBondContact O-CB 3.49Å; I516-S519 PolarHBondContact O-N 2.92Å; I516-S519 VanDerWaalsContact O-N 3.14Å; R517-S519 VanDerWaalsContact C-N 3.33Å
520S89.7Confident85.7Confident52 Ų52118.7 Ų118.736%0.36459%0.589SS.*  trans-130.3164.717581.40000111.8R522 N523S520-R522 PolarHBondContact O-N 2.79Å; S520-R522 WeakPolarHBondContact OG-CB 3.36Å; S520-R522 PolarHBondContact OG-N 2.67Å; S520-R522 VanDerWaalsContact OG-N 3.14Å; S520-N523 WeakPolarHBondContact CB-OD1 3.4Å; S520-N523 PolarHBondContact N-OD1 3.33Å; S520-N523 WeakPolarHBondContact O-CB 3.38Å; S520-N523 PolarHBondContact O-N 2.85Å; S520-N523 PolarHBondContact O-OD1 3.2Å; S520-N523 VanDerWaalsContact O-OD1 3.13Å; S520-N523 PolarHBondContact OG-OD1 3.37Å
521L83.4Confident85Confident148 Ų148123.3 Ų123.378%0.77561%0.608SS**G310 helixtrans-59.2-17.9171.7-63.1177000113N523 L524L521-N523 VanDerWaalsContact C-N 3.26Å; L521-N523 PolarHBondContact O-N 2.92Å; L521-L524 HydrophobicContact CD2-CD1 3.81Å; L521-L524 PolarHBondContact O-N 3.36Å
522R83.9Confident84.1Confident236 Ų236125.3 Ų125.389%0.89162%0.617SS**G310 helixtrans-72.8-18.6174.5-49.1-178.9-176.5-168.31.3112.8S520S520-R522 PolarHBondContact O-N 2.79Å; S520-R522 WeakPolarHBondContact OG-CB 3.36Å; S520-R522 PolarHBondContact OG-N 2.67Å; S520-R522 VanDerWaalsContact OG-N 3.14Å
523N83.7Confident82.5Confident113 Ų113127.9 Ų127.960%0.60463%0.631SS**G310 helixtrans-82.9-16175.5-55.670.1000111.8S520 L521S520-N523 WeakPolarHBondContact CB-OD1 3.4Å; S520-N523 PolarHBondContact N-OD1 3.33Å; S520-N523 WeakPolarHBondContact O-CB 3.38Å; S520-N523 PolarHBondContact O-N 2.85Å; S520-N523 PolarHBondContact O-OD1 3.2Å; S520-N523 VanDerWaalsContact O-OD1 3.13Å; S520-N523 PolarHBondContact OG-OD1 3.37Å; L521-N523 VanDerWaalsContact C-N 3.26Å; L521-N523 PolarHBondContact O-N 2.92Å
524L84.3Confident80.7Confident120 Ų120137.7 Ų137.763%0.62866%0.664SS**SBendtrans-83.3150.8174.2-56.4-178.4000110.3L521 R526L521-L524 HydrophobicContact CD2-CD1 3.81Å; L521-L524 PolarHBondContact O-N 3.36Å; L524-R526 PolarHBondContact O-N 3.36Å
525R86.1Confident80.3Confident237 Ų237139.5 Ų139.589%0.89467%0.673SS**PPolyproline II helixtrans-71.1122.3171-68.5-173.3178.2-165.40.6109V527R525-V527 PolarHBondContact O-N 2.79Å
526R84.2Confident79.9Confident211 Ų211143.5 Ų143.580%0.79669%0.686SS**PPolyproline II helixtrans-59.7120.8173.1-179.8174166167.2-6.4109.5L524 E528L524-R526 PolarHBondContact O-N 3.36Å; R526-E528 IonicContact CZ-OE1 2.67Å; R526-E528 IonicContact NE-OE1 2.67Å; R526-E528 PolarHBondContact NE-OE1 2.89Å; R526-E528 IonicContact NH2-OE1 3.37Å; R526-E528 PolarHBondContact NH2-OE1 2.96Å
527V85.1Confident79.4Confident121 Ų121146.1 Ų146.173%0.73370%0.696SS**  trans-114.2135.8167.6179.10000106.3R525R525-V527 PolarHBondContact O-N 2.79Å
528E82.4Confident78.7Confident141 Ų141145.4 Ų145.466%0.65970%0.702SS**PPolyproline II helixtrans-88.4122.1-179.1-54.7-157.3132.600109.5R526R526-E528 IonicContact CZ-OE1 2.67Å; R526-E528 IonicContact NE-OE1 2.67Å; R526-E528 PolarHBondContact NE-OE1 2.89Å; R526-E528 IonicContact NH2-OE1 3.37Å; R526-E528 PolarHBondContact NH2-OE1 2.96Å
529V77.6Confident78Confident110 Ų110149.1 Ų149.167%0.66771%0.709SS**PPolyproline II helixtrans-86.9123.1179-178.20000108.1
530P75.9Confident77.1Confident75 Ų75154.1 Ų154.149%0.48772%0.721SS.*PPolyproline II helixtrans-61.7141.8-179.8-23.734.3000112.6H532 L533P530-H532 VanDerWaalsContact CB-NE2 3.33Å; P530-H532 WeakPolarHBondContact CB-NE2 3.2Å; P530-H532 PolarHBondContact O-N 3.01Å; P530-L533 PolarHBondContact O-N 3.46Å
531H67.9Low76.2Confident158 Ų158161.4 Ų161.473%0.73175%0.746SS**G310 helixtrans-63.9-3.6-171.8-93-76.4000116.3L533H531-L533 VanDerWaalsContact C-N 3.32Å
532H64.8Low75.6Confident166 Ų166162.4 Ų162.477%0.76974%0.744SS**G310 helixtrans-88.25.7-179.1-1.4-74000113.8P530P530-H532 VanDerWaalsContact CB-NE2 3.33Å; P530-H532 WeakPolarHBondContact CB-NE2 3.2Å; P530-H532 PolarHBondContact O-N 3.01Å
533L56.7Low74.9Confident150 Ų150156.3 Ų156.379%0.78573%0.732SS**G310 helixtrans-132.742177.7-69.5173.2000111.1P530 H531P530-L533 PolarHBondContact O-N 3.46Å; H531-L533 VanDerWaalsContact C-N 3.32Å
534R50.3Low74.1Confident273 Ų273160.2 Ų160.2100%1.0374%0.744SS**  trans-143.50-179.6-164.9179-167.7-164.11.9111.6

Retrieved 534 of 534 residues in 445 ms (Link to these results)

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