A0A3Q0KCL7_SCHMA Loading...

Adducin related protein

AlphaFold DB , UniProt , Accession A0A3Q0KCL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 848 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.8Very low32.5Very low206 Ų206126.5 Ų126.5100%1.01578%0.784SS**  090.70-82-70.8178.600111.2D3M1-D3 WeakPolarHBondContact CA-OD2 3.24Å; M1-D3 PolarHBondContact N-OD1 2.73Å; M1-D3 PolarHBondContact N-OD2 2.75Å
2P37.5Very low32.8Very low126 Ų126128 Ų12882%0.81878%0.782SS**  cis-89.5135.4-25.9-4.125.8000109.9
3D29.7Very low32.8Very low118 Ų118125.8 Ų125.863%0.63178%0.775SS**  cis72.5131.642.6-47.6-27.8000111.1M1M1-D3 WeakPolarHBondContact CA-OD2 3.24Å; M1-D3 PolarHBondContact N-OD1 2.73Å; M1-D3 PolarHBondContact N-OD2 2.75Å
4S30.8Very low33.3Very low97 Ų97127.6 Ų127.668%0.67878%0.777SS**  cis-164.6-165.35.649.60000111.3
5N34.5Very low34.1Very low145 Ų145130.4 Ų130.478%0.77578%0.775SS**  trans85.199.8-179.1-48.5-21.3000113
6V31.5Very low35.2Very low125 Ų125130.3 Ų130.376%0.75878%0.778SS**  cis61.387.521.2-168.20000113.3
7A35.2Very low35.9Very low100 Ų100128.4 Ų128.483%0.82676%0.763SS**  trans-144105.7157.900000107.4
8N31.6Very low36.8Very low140 Ų140129.6 Ų129.675%0.74976%0.757SS**  trans-73.8142.4-172.7-67.5-31.3000111.6V10N8-V10 PolarHBondContact O-N 3.36Å
9G27.9Very low37.9Very low81 Ų81131.5 Ų131.584%0.83576%0.756SS**  trans-65.6129.8164.200000110.4
10V34.1Very low39.1Very low120 Ų120129.7 Ų129.773%0.72774%0.742SS**  trans-108116.6175.4177.10000108.7N8 L12N8-V10 PolarHBondContact O-N 3.36Å; V10-L12 PolarHBondContact O-N 3.3Å
11V31.9Very low40.1Very low134 Ų134128.9 Ų128.981%0.81274%0.736SS**  trans-70.9112.8168.8176.50000107.8S13V11-S13 PolarHBondContact O-N 3.15Å
12L35.9Very low41.6Very low144 Ų144126 Ų12675%0.75472%0.717SS**  trans-75.693.4174.2-73.4170.2000109.9V10 D14V10-L12 PolarHBondContact O-N 3.3Å; L12-D14 PolarHBondContact O-N 3.32Å
13S32.8Very low42.8Very low99 Ų99122.7 Ų122.769%0.69269%0.692SS**  trans-85.991.5164.1610000109.3V11 K15V11-S13 PolarHBondContact O-N 3.15Å; S13-K15 PolarHBondContact O-N 2.78Å
14D40.1Very low44.6Very low152 Ų152122 Ų12281%0.81369%0.688SS**  trans-64.195.3-178.9-82-32000111.6L12L12-D14 PolarHBondContact O-N 3.32Å
15K44.9Very low46.4Very low169 Ų169121.4 Ų121.474%0.73568%0.682SS**  trans-103.5144.1150.8-71.2177.2-179.5172.10107.1S13 D17S13-K15 PolarHBondContact O-N 2.78Å; K15-D17 PolarHBondContact O-N 3.18Å
16P51.7Low48.2Very low128 Ų128121.1 Ų121.183%0.83168%0.677SS**  trans-71.193.3176.229-33.5000109.6K18P16-K18 PolarHBondContact O-N 3.29Å
17D47.3Very low50.4Low99 Ų99118.3 Ų118.353%0.52966%0.657SS.*  trans-48.6130.4169.6-62.2-35.3000109.2K15 K22K15-D17 PolarHBondContact O-N 3.18Å; D17-K22 WeakPolarHBondContact OD2-CE 3.49Å; D17-K22 IonicContact OD2-NZ 2.64Å; D17-K22 PolarHBondContact OD2-NZ 3.35Å
18K53Low52.3Low149 Ų149117.1 Ų117.165%0.64864%0.641SS**  trans-71141.4-179.9-62.4171.2-178.2172.10107.6P16 I20 D21P16-K18 PolarHBondContact O-N 3.29Å; K18-I20 PolarHBondContact O-N 3.26Å; K18-D21 WeakPolarHBondContact CB-OD2 3.21Å; K18-D21 PolarHBondContact N-OD2 3.12Å; K18-D21 WeakPolarHBondContact O-CB 3.49Å; K18-D21 PolarHBondContact O-N 3.14Å
19F56.8Low54.3Low167 Ų167115.1 Ų115.173%0.73263%0.63SS**G310 helixtrans-51.9-31-179.4177.8-107000113.4D21 K22 I23F19-D21 VanDerWaalsContact C-N 3.33Å; F19-D21 PolarHBondContact O-N 3.49Å; F19-K22 PolarHBondContact O-N 3.48Å; F19-I23 HydrophobicContact CD1-CD1 4.12Å; F19-I23 HydrophobicContact CE1-CD1 3.81Å; F19-I23 HydrophobicContact CE1-CG1 4.44Å; F19-I23 HydrophobicContact CZ-CD1 4.48Å
20I61.3Low56.5Low95 Ų95115.6 Ų115.649%0.48761%0.608SS.*G310 helixtrans-58.2-40.9174.8-60.8169.3000111.9K18 K22 I23K18-I20 PolarHBondContact O-N 3.26Å; I20-K22 PolarHBondContact O-N 3.22Å; I20-I23 PolarHBondContact O-N 3.34Å; I20-I23 VanDerWaalsContact O-N 3.11Å
21D61.8Low58.4Low112 Ų112113.8 Ų113.860%0.59959%0.591SS**G310 helixtrans-71.4-2.6-175-49-37.2000112.7K18 F19K18-D21 WeakPolarHBondContact CB-OD2 3.21Å; K18-D21 PolarHBondContact N-OD2 3.12Å; K18-D21 WeakPolarHBondContact O-CB 3.49Å; K18-D21 PolarHBondContact O-N 3.14Å; F19-D21 VanDerWaalsContact C-N 3.33Å; F19-D21 PolarHBondContact O-N 3.49Å
22K63.9Low60.5Low146 Ų146112.2 Ų112.264%0.63557%0.573SS**G310 helixtrans-116.26.8177.7-65.6179.2179.5170.10113.1D17 F19 I20D17-K22 WeakPolarHBondContact OD2-CE 3.49Å; D17-K22 IonicContact OD2-NZ 2.64Å; D17-K22 PolarHBondContact OD2-NZ 3.35Å; F19-K22 PolarHBondContact O-N 3.48Å; I20-K22 PolarHBondContact O-N 3.22Å
23I61.5Low62.1Low57 Ų57107.1 Ų107.129%0.29255%0.55SS..  trans-98.3101.2170.1-57.2172.9000107.6F19 I20 P25 Y30F19-I23 HydrophobicContact CD1-CD1 4.12Å; F19-I23 HydrophobicContact CE1-CD1 3.81Å; F19-I23 HydrophobicContact CE1-CG1 4.44Å; F19-I23 HydrophobicContact CZ-CD1 4.48Å; I20-I23 PolarHBondContact O-N 3.34Å; I20-I23 VanDerWaalsContact O-N 3.11Å; I23-P25 WeakPolarHBondContact O-CD 3.41Å; I23-Y30 HydrophobicContact CG2-CD1 4.29Å; I23-Y30 HydrophobicContact CG2-CD2 4.1Å; I23-Y30 HydrophobicContact CG2-CE1 3.97Å; I23-Y30 HydrophobicContact CG2-CE2 3.75Å; I23-Y30 HydrophobicContact CG2-CG 4.36Å
24D67.9Low64Low102 Ų102108.2 Ų108.255%0.54555%0.547SS..  trans-75.8113.8168.6-169-22.4000108.8E26 D27D24-E26 PolarHBondContact O-N 3.33Å; D24-E26 PolarHBondContact OD1-N 3.21Å; D24-D27 HydrophobicContact CB-CB 4.43Å; D24-D27 PolarHBondContact O-N 3.27Å; D24-D27 VanDerWaalsContact O-N 3.16Å
25P69Low65.5Low85 Ų85108.7 Ų108.755%0.55255%0.547SS*.THydrogen-bonded Turntrans-67-17.5-177.929.2-35.7000112.9I23 Q31I23-P25 WeakPolarHBondContact O-CD 3.41Å; P25-Q31 PolarHBondContact O-NE2 3.26Å
26E72.9Confident67.1Low140 Ų140104.4 Ų104.465%0.65453%0.526SS*.THydrogen-bonded Turntrans-94.12.7177.1-60.8-58.5162.300113.6D24 P28 Q31D24-E26 PolarHBondContact O-N 3.33Å; D24-E26 PolarHBondContact OD1-N 3.21Å; E26-P28 WeakPolarHBondContact O-CD 3.49Å; E26-P28 VanDerWaalsContact O-N 3.12Å; E26-Q31 PolarHBondContact OE2-NE2 3.16Å
27D76Confident68.3Low66 Ų66101.8 Ų101.835%0.35351%0.509SS..  trans-62116.1170.8169.623.7000109.8D24 D29 Y30 Q31D24-D27 HydrophobicContact CB-CB 4.43Å; D24-D27 PolarHBondContact O-N 3.27Å; D24-D27 VanDerWaalsContact O-N 3.16Å; D27-D29 PolarHBondContact O-N 3.39Å; D27-D29 VanDerWaalsContact O-N 3.15Å; D27-D29 PolarHBondContact OD1-N 3.25Å; D27-Y30 WeakPolarHBondContact O-CB 3.37Å; D27-Y30 PolarHBondContact O-N 3.28Å; D27-Y30 VanDerWaalsContact O-N 3.13Å; D27-Y30 PolarHBondContact OD2-N 3.28Å; D27-Q31 PolarHBondContact O-N 3.45Å
28P76.7Confident69.7Low75 Ų75100.4 Ų100.449%0.48751%0.511SS..Hα-helixtrans-65.4-20-179.129.4-37.7000112.3E26 K32E26-P28 WeakPolarHBondContact O-CD 3.49Å; E26-P28 VanDerWaalsContact O-N 3.12Å; P28-K32 VanDerWaalsContact O-CB 3.28Å; P28-K32 WeakPolarHBondContact O-CB 3.46Å; P28-K32 WeakPolarHBondContact O-CD 3.4Å; P28-K32 WeakPolarHBondContact O-CE 3.48Å; P28-K32 WeakPolarHBondContact O-CG 3.2Å; P28-K32 PolarHBondContact O-N 2.88Å; P28-K32 VanDerWaalsContact O-N 3.08Å; P28-K32 PolarHBondContact O-NZ 3.06Å
29D73.6Confident70.7Confident98 Ų9897.4 Ų97.452%0.52451%0.508SS..Hα-helixtrans-81.4-34.1173.1-84.9-15000112.9D27 K32 S33D27-D29 PolarHBondContact O-N 3.39Å; D27-D29 VanDerWaalsContact O-N 3.15Å; D27-D29 PolarHBondContact OD1-N 3.25Å; D29-K32 PolarHBondContact O-N 3.07Å; D29-K32 IonicContact OD1-NZ 3.79Å; D29-K32 PolarHBondContact OD1-NZ 3.24Å; D29-S33 WeakPolarHBondContact O-CB 3.07Å; D29-S33 PolarHBondContact O-N 3.33Å
30Y73.6Confident71.7Confident91 Ų9193.6 Ų93.636%0.35749%0.494SS..Hα-helixtrans-59.5-51.6165.3-175.5-103.9000111.5I23 D27 K32 S33 L34I23-Y30 HydrophobicContact CG2-CD1 4.29Å; I23-Y30 HydrophobicContact CG2-CD2 4.1Å; I23-Y30 HydrophobicContact CG2-CE1 3.97Å; I23-Y30 HydrophobicContact CG2-CE2 3.75Å; I23-Y30 HydrophobicContact CG2-CG 4.36Å; D27-Y30 WeakPolarHBondContact O-CB 3.37Å; D27-Y30 PolarHBondContact O-N 3.28Å; D27-Y30 VanDerWaalsContact O-N 3.13Å; D27-Y30 PolarHBondContact OD2-N 3.28Å; Y30-K32 PolarHBondContact O-N 2.88Å; Y30-S33 WeakPolarHBondContact O-CA 3.22Å; Y30-S33 VanDerWaalsContact O-CB 3.31Å; Y30-S33 WeakPolarHBondContact O-CB 3.46Å; Y30-S33 PolarHBondContact O-N 2.92Å; Y30-S33 PolarHBondContact O-OG 2.92Å; Y30-L34 PolarHBondContact O-N 3.36Å
31Q74.9Confident72.4Confident81 Ų8194.3 Ų94.338%0.37949%0.494SS..Hα-helixtrans-58.9-44176.8-66.7-1781.100111.8P25 E26 D27 S33 L34 M35P25-Q31 PolarHBondContact O-NE2 3.26Å; E26-Q31 PolarHBondContact OE2-NE2 3.16Å; D27-Q31 PolarHBondContact O-N 3.45Å; Q31-S33 PolarHBondContact O-N 3.4Å; Q31-L34 PolarHBondContact O-N 3.11Å; Q31-M35 WeakPolarHBondContact O-CG 3.4Å; Q31-M35 PolarHBondContact O-N 3.24Å
32K76Confident73.2Confident101 Ų10194.8 Ų94.844%0.43949%0.493SS..Hα-helixtrans-61.2-25.3171.5-77.4176.5-134.397.10113.3P28 D29 Y30 R36P28-K32 VanDerWaalsContact O-CB 3.28Å; P28-K32 WeakPolarHBondContact O-CB 3.46Å; P28-K32 WeakPolarHBondContact O-CD 3.4Å; P28-K32 WeakPolarHBondContact O-CE 3.48Å; P28-K32 WeakPolarHBondContact O-CG 3.2Å; P28-K32 PolarHBondContact O-N 2.88Å; P28-K32 VanDerWaalsContact O-N 3.08Å; P28-K32 PolarHBondContact O-NZ 3.06Å; D29-K32 PolarHBondContact O-N 3.07Å; D29-K32 IonicContact OD1-NZ 3.79Å; D29-K32 PolarHBondContact OD1-NZ 3.24Å; Y30-K32 PolarHBondContact O-N 2.88Å; K32-R36 PolarHBondContact O-NE 3.36Å; K32-R36 PolarHBondContact O-NH2 3.47Å
33S69.4Low74Confident37 Ų3792.8 Ų92.826%0.25949%0.489SS..Hα-helixtrans-80.9-30.5178.3870000112.8D29 Y30 Q31D29-S33 WeakPolarHBondContact O-CB 3.07Å; D29-S33 PolarHBondContact O-N 3.33Å; Y30-S33 WeakPolarHBondContact O-CA 3.22Å; Y30-S33 VanDerWaalsContact O-CB 3.31Å; Y30-S33 WeakPolarHBondContact O-CB 3.46Å; Y30-S33 PolarHBondContact O-N 2.92Å; Y30-S33 PolarHBondContact O-OG 2.92Å; Q31-S33 PolarHBondContact O-N 3.4Å
34L71.9Confident74.8Confident123 Ų12391.8 Ų91.864%0.64449%0.485SS*.Hα-helixtrans-72.4-46.1173.6-142.177.4000110.7Y30 Q31 R36Y30-L34 PolarHBondContact O-N 3.36Å; Q31-L34 PolarHBondContact O-N 3.11Å; L34-R36 PolarHBondContact O-N 2.91Å
35M72.3Confident75.3Confident162 Ų16291 Ų9180%0.79848%0.481SS*.SBendtrans-78.49.5-178.3-63.4-64-74.800114.5Q31 P37Q31-M35 WeakPolarHBondContact O-CG 3.4Å; Q31-M35 PolarHBondContact O-N 3.24Å; M35-P37 WeakPolarHBondContact O-CD 3.34Å
36R76.9Confident75.7Confident79 Ų7990.4 Ų90.430%0.29847%0.473SS..  trans-90.7116.8-177.1-118.3173.7-81.1171.4-4.1110.5K32 L34 I40K32-R36 PolarHBondContact O-NE 3.36Å; K32-R36 PolarHBondContact O-NH2 3.47Å; L34-R36 PolarHBondContact O-N 2.91Å; R36-I40 HydrophobicContact CG-CB 4.39Å; R36-I40 HydrophobicContact CG-CG2 3.89Å
37P78.2Confident75.8Confident73 Ų7388.3 Ų88.347%0.47446%0.464SS..  trans-53.8148.2173.1-26.634.9000112.5M35 C39 I40 K41M35-P37 WeakPolarHBondContact O-CD 3.34Å; P37-C39 VanDerWaalsContact C-N 3.33Å; P37-C39 PolarHBondContact O-N 2.9Å; P37-I40 HydrophobicContact CG-CD1 4.43Å; P37-I40 PolarHBondContact O-N 3.14Å; P37-K41 PolarHBondContact O-N 2.9Å
38A75.3Confident75.9Confident70 Ų7088.5 Ų88.558%0.57946%0.464SS*.Hα-helixtrans-50.9-47.6-172.600000113.4I40 K41 E42A38-I40 VanDerWaalsContact C-N 3.3Å; A38-I40 PolarHBondContact O-N 3.06Å; A38-K41 WeakPolarHBondContact O-CA 3.32Å; A38-K41 WeakPolarHBondContact O-CB 3.39Å; A38-K41 PolarHBondContact O-N 3.17Å; A38-E42 PolarHBondContact O-N 3.32Å
39C74.6Confident75.7Confident86 Ų8690.3 Ų90.358%0.58147%0.466SS*.Hα-helixtrans-57.9-37177.255.30000113.6P37 D43P37-C39 VanDerWaalsContact C-N 3.33Å; P37-C39 PolarHBondContact O-N 2.9Å; C39-D43 WeakPolarHBondContact O-CB 3.35Å; C39-D43 PolarHBondContact O-N 2.99Å
40I77.6Confident75.8Confident86 Ų8694 Ų9444%0.44147%0.473SS..Hα-helixtrans-75.4-32.7176.5-59.2-177000110.6R36 P37 A38 D43 V44R36-I40 HydrophobicContact CG-CB 4.39Å; R36-I40 HydrophobicContact CG-CG2 3.89Å; P37-I40 HydrophobicContact CG-CD1 4.43Å; P37-I40 PolarHBondContact O-N 3.14Å; A38-I40 VanDerWaalsContact C-N 3.3Å; A38-I40 PolarHBondContact O-N 3.06Å; I40-D43 PolarHBondContact O-N 2.86Å; I40-V44 HydrophobicContact CG2-CG2 4.46Å; I40-V44 WeakPolarHBondContact O-CB 3.3Å; I40-V44 VanDerWaalsContact O-CG2 3.24Å; I40-V44 WeakPolarHBondContact O-CG2 3.43Å; I40-V44 PolarHBondContact O-N 3.1Å
41K76.6Confident75.9Confident111 Ų11195.4 Ų95.448%0.48348%0.483SS..Hα-helixtrans-66.2-40174.3-161.9169.1-176.7168.50111.1P37 A38 N45P37-K41 PolarHBondContact O-N 2.9Å; A38-K41 WeakPolarHBondContact O-CA 3.32Å; A38-K41 WeakPolarHBondContact O-CB 3.39Å; A38-K41 PolarHBondContact O-N 3.17Å; K41-N45 WeakPolarHBondContact O-CB 3.36Å; K41-N45 VanDerWaalsContact O-CG 3.25Å; K41-N45 PolarHBondContact O-N 3.11Å; K41-N45 PolarHBondContact O-ND2 3.03Å
42E78.5Confident75.7Confident122 Ų122100.3 Ų100.357%0.5750%0.498SS*.Hα-helixtrans-65.4-47.2171.7-72.4172.1-171.800112.5A38 V44 N45 L46A38-E42 PolarHBondContact O-N 3.32Å; E42-V44 VanDerWaalsContact C-N 3.3Å; E42-V44 PolarHBondContact O-N 3.42Å; E42-N45 CarbonylContact O-C 3.58Å; E42-N45 WeakPolarHBondContact O-CB 3.24Å; E42-N45 PolarHBondContact O-N 3.03Å; E42-N45 VanDerWaalsContact O-N 3.09Å; E42-L46 WeakPolarHBondContact O-CG 3.5Å; E42-L46 PolarHBondContact O-N 3.48Å
43D79.8Confident75.5Confident104 Ų10499.1 Ų99.156%0.55650%0.499SS*.Hα-helixtrans-63.3-36.3179.3-129.86.5000111.9C39 I40 L46 M47C39-D43 WeakPolarHBondContact O-CB 3.35Å; C39-D43 PolarHBondContact O-N 2.99Å; I40-D43 PolarHBondContact O-N 2.86Å; D43-L46 PolarHBondContact O-N 3.41Å; D43-M47 WeakPolarHBondContact O-CB 3.47Å; D43-M47 PolarHBondContact O-N 3.42Å
44V78.5Confident75.9Confident36 Ų3699.6 Ų99.622%0.21850%0.502CS..Hα-helixtrans-66.2-42.1171.8168.90000111.4I40 E42 M47 I48I40-V44 HydrophobicContact CG2-CG2 4.46Å; I40-V44 WeakPolarHBondContact O-CB 3.3Å; I40-V44 VanDerWaalsContact O-CG2 3.24Å; I40-V44 WeakPolarHBondContact O-CG2 3.43Å; I40-V44 PolarHBondContact O-N 3.1Å; E42-V44 VanDerWaalsContact C-N 3.3Å; E42-V44 PolarHBondContact O-N 3.42Å; V44-M47 PolarHBondContact O-N 3.5Å; V44-I48 HydrophobicContact CG1-CD1 3.88Å; V44-I48 VanDerWaalsContact O-CG1 3.31Å; V44-I48 WeakPolarHBondContact O-CG1 3.28Å; V44-I48 PolarHBondContact O-N 2.92Å
45N78.3Confident76.2Confident85 Ų8595.8 Ų95.846%0.45549%0.492SS..Hα-helixtrans-62.9-43.7174.8-75.2-18.7000111.8K41 E42 M47 I48 Q49K41-N45 WeakPolarHBondContact O-CB 3.36Å; K41-N45 VanDerWaalsContact O-CG 3.25Å; K41-N45 PolarHBondContact O-N 3.11Å; K41-N45 PolarHBondContact O-ND2 3.03Å; E42-N45 CarbonylContact O-C 3.58Å; E42-N45 WeakPolarHBondContact O-CB 3.24Å; E42-N45 PolarHBondContact O-N 3.03Å; E42-N45 VanDerWaalsContact O-N 3.09Å; N45-M47 VanDerWaalsContact C-N 3.33Å; N45-M47 PolarHBondContact O-N 2.81Å; N45-I48 PolarHBondContact O-N 3.13Å; N45-Q49 WeakPolarHBondContact O-CG 3.28Å; N45-Q49 PolarHBondContact O-N 3.38Å
46L78.8Confident76.3Confident72 Ų7290.3 Ų90.338%0.37747%0.466SS..Hα-helixtrans-63.3-37.6174.2-71.1170.6000111.7E42 D43 Q49 R50E42-L46 WeakPolarHBondContact O-CG 3.5Å; E42-L46 PolarHBondContact O-N 3.48Å; D43-L46 PolarHBondContact O-N 3.41Å; L46-Q49 PolarHBondContact O-N 3.1Å; L46-R50 WeakPolarHBondContact O-CB 3.49Å; L46-R50 VanDerWaalsContact O-CG 3.23Å; L46-R50 WeakPolarHBondContact O-CG 3.32Å; L46-R50 PolarHBondContact O-N 3.14Å
47M73.5Confident76.2Confident97 Ų9791.9 Ų91.948%0.47848%0.479SS..Hα-helixtrans-65.1-43.2173.6-174.8179.364.200111.7D43 V44 N45 R50 Q51D43-M47 WeakPolarHBondContact O-CB 3.47Å; D43-M47 PolarHBondContact O-N 3.42Å; V44-M47 PolarHBondContact O-N 3.5Å; N45-M47 VanDerWaalsContact C-N 3.33Å; N45-M47 PolarHBondContact O-N 2.81Å; M47-R50 PolarHBondContact O-N 3.3Å; M47-Q51 WeakPolarHBondContact O-CG 3.49Å; M47-Q51 PolarHBondContact O-N 3.14Å
48I78.3Confident76.2Confident69 Ų6996 Ų9635%0.35449%0.49SS..Hα-helixtrans-64.6-41.7176.3-69.1164.7000110.7V44 N45 Q51 R52V44-I48 HydrophobicContact CG1-CD1 3.88Å; V44-I48 VanDerWaalsContact O-CG1 3.31Å; V44-I48 WeakPolarHBondContact O-CG1 3.28Å; V44-I48 PolarHBondContact O-N 2.92Å; N45-I48 PolarHBondContact O-N 3.13Å; I48-Q51 PolarHBondContact O-N 3.17Å; I48-R52 WeakPolarHBondContact O-CG 3.37Å; I48-R52 PolarHBondContact O-N 2.95Å
49Q72.5Confident76.4Confident113 Ų11394.9 Ų94.953%0.52848%0.478SS..Hα-helixtrans-60.8-45.5173.3-72.8173.21.300111.7N45 L46 Q51 R52 V53N45-Q49 WeakPolarHBondContact O-CG 3.28Å; N45-Q49 PolarHBondContact O-N 3.38Å; L46-Q49 PolarHBondContact O-N 3.1Å; Q49-Q51 VanDerWaalsContact C-N 3.31Å; Q49-Q51 PolarHBondContact O-N 2.89Å; Q49-R52 PolarHBondContact O-N 3.46Å; Q49-V53 WeakPolarHBondContact O-CG2 3.23Å; Q49-V53 PolarHBondContact O-N 3.47Å
50R76.2Confident76.7Confident176 Ų17695.1 Ų95.166%0.66447%0.474SS*.Hα-helixtrans-62.6-35.5174.6-72.7169.7-177.6174.64.6112.5L46 M47 S54L46-R50 WeakPolarHBondContact O-CB 3.49Å; L46-R50 VanDerWaalsContact O-CG 3.23Å; L46-R50 WeakPolarHBondContact O-CG 3.32Å; L46-R50 PolarHBondContact O-N 3.14Å; M47-R50 PolarHBondContact O-N 3.3Å; R50-S54 WeakPolarHBondContact O-CB 3.38Å; R50-S54 PolarHBondContact O-N 3.02Å
51Q76Confident76.6Confident120 Ų12094.1 Ų94.156%0.56148%0.478SS*.Hα-helixtrans-66.2-43.8172.7-75177.84.700111.8M47 I48 Q49 S54 G55M47-Q51 WeakPolarHBondContact O-CG 3.49Å; M47-Q51 PolarHBondContact O-N 3.14Å; I48-Q51 PolarHBondContact O-N 3.17Å; Q49-Q51 VanDerWaalsContact C-N 3.31Å; Q49-Q51 PolarHBondContact O-N 2.89Å; Q51-S54 CarbonylContact O-C 3.59Å; Q51-S54 PolarHBondContact O-N 3.06Å; Q51-G55 PolarHBondContact O-N 3.45Å
52R71.6Confident76.5Confident184 Ų18490.2 Ų90.269%0.69446%0.461SS*.Hα-helixtrans-58.7-47.5174.4-72.2-178.5-179.7-163.7-0.1111.7I48 Q49 S54 G55 I56I48-R52 WeakPolarHBondContact O-CG 3.37Å; I48-R52 PolarHBondContact O-N 2.95Å; Q49-R52 PolarHBondContact O-N 3.46Å; R52-S54 VanDerWaalsContact C-N 3.34Å; R52-S54 PolarHBondContact O-N 2.91Å; R52-G55 WeakPolarHBondContact O-CA 3.45Å; R52-G55 PolarHBondContact O-N 2.92Å; R52-I56 WeakPolarHBondContact O-CG1 3.39Å; R52-I56 PolarHBondContact O-N 3.03Å
53V71.3Confident76.3Confident76 Ų7690.8 Ų90.846%0.46146%0.458SS..Hα-helixtrans-60.6-42.2175.2174.20000111.4Q49 G55 I56 L57Q49-V53 WeakPolarHBondContact O-CG2 3.23Å; Q49-V53 PolarHBondContact O-N 3.47Å; V53-G55 PolarHBondContact O-N 2.87Å; V53-I56 PolarHBondContact O-N 3.16Å; V53-L57 HydrophobicContact CG1-CD1 3.86Å; V53-L57 HydrophobicContact CG1-CG 4.45Å; V53-L57 WeakPolarHBondContact O-CB 3.31Å; V53-L57 WeakPolarHBondContact O-CG 3.4Å; V53-L57 PolarHBondContact O-N 3.39Å
54S77.1Confident76.1Confident48 Ų4893.8 Ų93.834%0.33646%0.461SS..Hα-helixtrans-66.7-23.2174.6-166.90000113.7R50 Q51 R52 K58R50-S54 WeakPolarHBondContact O-CB 3.38Å; R50-S54 PolarHBondContact O-N 3.02Å; Q51-S54 CarbonylContact O-C 3.59Å; Q51-S54 PolarHBondContact O-N 3.06Å; R52-S54 VanDerWaalsContact C-N 3.34Å; R52-S54 PolarHBondContact O-N 2.91Å; S54-K58 VanDerWaalsContact O-CD 3.24Å; S54-K58 WeakPolarHBondContact O-CD 3.49Å; S54-K58 VanDerWaalsContact O-CG 3.24Å; S54-K58 WeakPolarHBondContact O-CG 3.46Å; S54-K58 PolarHBondContact OG-NZ 3.21Å
55G77.6Confident75.8Confident42 Ų4295.2 Ų95.243%0.43347%0.466SS..Hα-helixtrans-74.1-49171.500000112.2Q51 R52 V53 L57 K58 S59Q51-G55 PolarHBondContact O-N 3.45Å; R52-G55 WeakPolarHBondContact O-CA 3.45Å; R52-G55 PolarHBondContact O-N 2.92Å; V53-G55 PolarHBondContact O-N 2.87Å; G55-L57 PolarHBondContact O-N 3.38Å; G55-K58 CarbonylContact O-C 3.56Å; G55-K58 PolarHBondContact O-N 3.45Å; G55-S59 PolarHBondContact O-N 2.88Å; G55-S59 VanDerWaalsContact O-N 3.11Å
56I75.5Confident75.3Confident47 Ų4793.5 Ų93.524%0.24146%0.456CS..Hα-helixtrans-58.2-47.7177.8-64166.5000110.5R52 V53 K58 S59 F62 F96 A99R52-I56 WeakPolarHBondContact O-CG1 3.39Å; R52-I56 PolarHBondContact O-N 3.03Å; V53-I56 PolarHBondContact O-N 3.16Å; I56-K58 PolarHBondContact O-N 3.15Å; I56-S59 WeakPolarHBondContact O-CB 3.2Å; I56-S59 PolarHBondContact O-N 3.36Å; I56-F62 HydrophobicContact CG2-CB 4.45Å; I56-F62 HydrophobicContact CG2-CD1 4.27Å; I56-F62 HydrophobicContact CG2-CD2 3.7Å; I56-F62 HydrophobicContact CG2-CE1 4.48Å; I56-F62 HydrophobicContact CG2-CE2 3.93Å; I56-F62 HydrophobicContact CG2-CG 3.89Å; I56-F62 HydrophobicContact CG2-CZ 4.32Å; I56-F96 HydrophobicContact CG2-CD1 4.4Å; I56-F96 HydrophobicContact CG2-CE1 3.94Å; I56-A99 HydrophobicContact CD1-CB 4.05Å
57L74.1Confident75Confident112 Ų11292.3 Ų92.359%0.58645%0.449SS*.THydrogen-bonded Turntrans-67.1-3.8177.7-65.9171.5000114.7V53 G55 F62 F96V53-L57 HydrophobicContact CG1-CD1 3.86Å; V53-L57 HydrophobicContact CG1-CG 4.45Å; V53-L57 WeakPolarHBondContact O-CB 3.31Å; V53-L57 WeakPolarHBondContact O-CG 3.4Å; V53-L57 PolarHBondContact O-N 3.39Å; G55-L57 PolarHBondContact O-N 3.38Å; L57-F62 HydrophobicContact CD2-CE1 4.37Å; L57-F96 HydrophobicContact CD2-CZ 4.4Å
58K77.9Confident75Confident161 Ų16193.5 Ų93.570%0.745%0.453SS*.THydrogen-bonded Turntrans-115.30.4173.4-70.5172.7-173.3147.60113S54 G55 I56 D60S54-K58 VanDerWaalsContact O-CD 3.24Å; S54-K58 WeakPolarHBondContact O-CD 3.49Å; S54-K58 VanDerWaalsContact O-CG 3.24Å; S54-K58 WeakPolarHBondContact O-CG 3.46Å; S54-K58 PolarHBondContact OG-NZ 3.21Å; G55-K58 CarbonylContact O-C 3.56Å; G55-K58 PolarHBondContact O-N 3.45Å; I56-K58 PolarHBondContact O-N 3.15Å; K58-D60 PolarHBondContact O-N 3.2Å
59S80.7Confident74.3Confident46 Ų4692 Ų9232%0.32245%0.448SS..  trans-78.4118.4-178.9176.80000110.3G55 I56 A61 F62 R63G55-S59 PolarHBondContact O-N 2.88Å; G55-S59 VanDerWaalsContact O-N 3.11Å; I56-S59 WeakPolarHBondContact O-CB 3.2Å; I56-S59 PolarHBondContact O-N 3.36Å; S59-A61 PolarHBondContact O-N 2.92Å; S59-A61 PolarHBondContact OG-N 3.25Å; S59-F62 PolarHBondContact O-N 3.1Å; S59-F62 PolarHBondContact OG-N 3.43Å; S59-R63 PolarHBondContact O-N 3.21Å
60D80.2Confident74Confident91 Ų9190.7 Ų90.749%0.48744%0.443SS..Hα-helixtrans-61.9-23.3172.9-79.8-55.2000112.5K58 R63 R64K58-D60 PolarHBondContact O-N 3.2Å; D60-R63 IonicContact OD1-CZ 3.59Å; D60-R63 IonicContact OD1-NH1 2.71Å; D60-R63 PolarHBondContact OD1-NH1 3.45Å; D60-R64 WeakPolarHBondContact O-CB 3.44Å; D60-R64 VanDerWaalsContact O-CG 3.25Å; D60-R64 WeakPolarHBondContact O-CG 3.39Å; D60-R64 PolarHBondContact O-N 3.11Å
61A75.1Confident73.5Confident65 Ų6588.4 Ų88.454%0.53744%0.435SS..Hα-helixtrans-68.6-51.1172.600000111.2S59 R63 R64 E65S59-A61 PolarHBondContact O-N 2.92Å; S59-A61 PolarHBondContact OG-N 3.25Å; A61-R63 PolarHBondContact O-N 3.2Å; A61-R64 PolarHBondContact O-N 3.19Å; A61-E65 WeakPolarHBondContact O-CB 3.42Å; A61-E65 PolarHBondContact O-N 2.9Å
62F74.4Confident72.8Confident29 Ų2985.4 Ų85.413%0.12743%0.427CS..Hα-helixtrans-58.8-37.9173.7176.8-96.8000111.2I56 L57 S59 L66 L95 F96I56-F62 HydrophobicContact CG2-CB 4.45Å; I56-F62 HydrophobicContact CG2-CD1 4.27Å; I56-F62 HydrophobicContact CG2-CD2 3.7Å; I56-F62 HydrophobicContact CG2-CE1 4.48Å; I56-F62 HydrophobicContact CG2-CE2 3.93Å; I56-F62 HydrophobicContact CG2-CG 3.89Å; I56-F62 HydrophobicContact CG2-CZ 4.32Å; L57-F62 HydrophobicContact CD2-CE1 4.37Å; S59-F62 PolarHBondContact O-N 3.1Å; S59-F62 PolarHBondContact OG-N 3.43Å; F62-L66 HydrophobicContact CE1-CD1 3.93Å; F62-L66 HydrophobicContact CZ-CD1 3.94Å; F62-L66 WeakPolarHBondContact O-CB 3.22Å; F62-L66 PolarHBondContact O-N 3.33Å; F62-L95 HydrophobicContact CD2-CD2 3.85Å; F62-L95 HydrophobicContact CD2-CG 4.17Å; F62-L95 HydrophobicContact CE2-CD2 3.52Å; F62-L95 HydrophobicContact CE2-CG 3.88Å; F62-L95 HydrophobicContact CZ-CD2 4.42Å; F62-F96 HydrophobicContact CE2-CD1 4.49Å; F62-F96 HydrophobicContact CE2-CE1 4.04Å; F62-F96 HydrophobicContact CE2-CZ 4.23Å; F62-F96 AromaticContact CZ-CE1 3.87Å; F62-F96 HydrophobicContact CZ-CE1 3.87Å; F62-F96 HydrophobicContact CZ-CE2 4.39Å; F62-F96 AromaticContact CZ-CZ 3.68Å; F62-F96 HydrophobicContact CZ-CZ 3.68Å
63R76.1Confident71.9Confident133 Ų13379.3 Ų79.350%0.50241%0.406SS..Hα-helixtrans-63.7-46.1175.9-149.8-163.187.4-153.913.1112.1S59 D60 A61 E67S59-R63 PolarHBondContact O-N 3.21Å; D60-R63 IonicContact OD1-CZ 3.59Å; D60-R63 IonicContact OD1-NH1 2.71Å; D60-R63 PolarHBondContact OD1-NH1 3.45Å; A61-R63 PolarHBondContact O-N 3.2Å; R63-E67 IonicContact CZ-OE1 2.92Å; R63-E67 VanDerWaalsContact CZ-OE1 3.22Å; R63-E67 IonicContact NE-OE1 3.17Å; R63-E67 PolarHBondContact NE-OE1 3.34Å; R63-E67 IonicContact NH2-OE1 2.7Å; R63-E67 PolarHBondContact NH2-OE1 3.12Å; R63-E67 WeakPolarHBondContact O-CB 3.33Å; R63-E67 VanDerWaalsContact O-CG 3.25Å; R63-E67 WeakPolarHBondContact O-CG 3.31Å; R63-E67 PolarHBondContact O-N 3Å
64R75.5Confident71.2Confident167 Ų16780.3 Ų80.363%0.6342%0.415SS*.Hα-helixtrans-64.2-45.8176.9-75.9171.4-173.3169.53.6112.1D60 A61 L66 E67 E68D60-R64 WeakPolarHBondContact O-CB 3.44Å; D60-R64 VanDerWaalsContact O-CG 3.25Å; D60-R64 WeakPolarHBondContact O-CG 3.39Å; D60-R64 PolarHBondContact O-N 3.11Å; A61-R64 PolarHBondContact O-N 3.19Å; R64-L66 PolarHBondContact O-N 2.89Å; R64-E67 CarbonylContact O-C 3.56Å; R64-E67 PolarHBondContact O-N 2.89Å; R64-E68 WeakPolarHBondContact O-CB 3.49Å; R64-E68 PolarHBondContact O-N 3.47Å
65E71Confident70.3Confident66 Ų6685.6 Ų85.631%0.30844%0.435SS..Hα-helixtrans-62.3-43.1178.5-173.1173.4-17000111.2A61 E68 V69 L95A61-E65 WeakPolarHBondContact O-CB 3.42Å; A61-E65 PolarHBondContact O-N 2.9Å; E65-E68 PolarHBondContact O-N 2.94Å; E65-E68 VanDerWaalsContact O-N 3.16Å; E65-V69 WeakPolarHBondContact O-CG2 3.44Å; E65-V69 PolarHBondContact O-N 3.24Å; E65-L95 HydrophobicContact CG-CD1 4.46Å; E65-L95 WeakPolarHBondContact OE1-CD1 2.97Å; E65-L95 WeakPolarHBondContact OE2-CD1 3.28Å
66L67.2Low68.9Low49 Ų4987.2 Ų87.226%0.25744%0.439SS..Hα-helixtrans-67.3-39.1174.7-171.9148.4000112.2F62 R64 E68 I70 I92F62-L66 HydrophobicContact CE1-CD1 3.93Å; F62-L66 HydrophobicContact CZ-CD1 3.94Å; F62-L66 WeakPolarHBondContact O-CB 3.22Å; F62-L66 PolarHBondContact O-N 3.33Å; R64-L66 PolarHBondContact O-N 2.89Å; L66-E68 VanDerWaalsContact C-N 3.28Å; L66-E68 PolarHBondContact O-N 3.35Å; L66-I70 HydrophobicContact CD2-CD1 3.65Å; L66-I70 WeakPolarHBondContact O-CB 3.43Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.37Å; L66-I70 PolarHBondContact O-N 3.01Å; L66-I92 HydrophobicContact CD1-CD1 4.48Å; L66-I92 HydrophobicContact CD1-CG1 4.48Å
67E73.3Confident67.3Low48 Ų4887.6 Ų87.622%0.22446%0.455CS..Hα-helixtrans-63.2-32.1170.2-73.7174.5-153.200112.2R63 R64 R71R63-E67 IonicContact CZ-OE1 2.92Å; R63-E67 VanDerWaalsContact CZ-OE1 3.22Å; R63-E67 IonicContact NE-OE1 3.17Å; R63-E67 PolarHBondContact NE-OE1 3.34Å; R63-E67 IonicContact NH2-OE1 2.7Å; R63-E67 PolarHBondContact NH2-OE1 3.12Å; R63-E67 WeakPolarHBondContact O-CB 3.33Å; R63-E67 VanDerWaalsContact O-CG 3.25Å; R63-E67 WeakPolarHBondContact O-CG 3.31Å; R63-E67 PolarHBondContact O-N 3Å; R64-E67 CarbonylContact O-C 3.56Å; R64-E67 PolarHBondContact O-N 2.89Å; E67-R71 VanDerWaalsContact CB-NH1 3.28Å; E67-R71 WeakPolarHBondContact O-CB 3.43Å; E67-R71 VanDerWaalsContact O-CG 3.24Å; E67-R71 WeakPolarHBondContact O-CG 3.14Å; E67-R71 PolarHBondContact O-N 3.06Å; E67-R71 IonicContact OE2-CZ 2.77Å; E67-R71 IonicContact OE2-NH1 3.9Å; E67-R71 PolarHBondContact OE2-NH1 3.21Å; E67-R71 IonicContact OE2-NH2 3.22Å; E67-R71 PolarHBondContact OE2-NH2 3.15Å
68E72.8Confident65.7Low121 Ų12188.8 Ų88.857%0.56546%0.462SS*.Hα-helixtrans-78.9-37.2179.4-171.8167.3174.700112.6R64 E65 L66 I70 R71 S72R64-E68 WeakPolarHBondContact O-CB 3.49Å; R64-E68 PolarHBondContact O-N 3.47Å; E65-E68 PolarHBondContact O-N 2.94Å; E65-E68 VanDerWaalsContact O-N 3.16Å; L66-E68 VanDerWaalsContact C-N 3.28Å; L66-E68 PolarHBondContact O-N 3.35Å; E68-I70 VanDerWaalsContact C-N 3.29Å; E68-I70 PolarHBondContact O-N 3.22Å; E68-R71 PolarHBondContact O-N 3Å; E68-S72 WeakPolarHBondContact O-CB 3.23Å; E68-S72 PolarHBondContact O-N 3.29Å; E68-S72 PolarHBondContact O-OG 2.96Å
69V65.2Low64Low39 Ų3990.3 Ų90.324%0.23647%0.465CS..Hα-helixtrans-60.4-40.6167172.60000110.4E65 S72 Q73E65-V69 WeakPolarHBondContact O-CG2 3.44Å; E65-V69 PolarHBondContact O-N 3.24Å; V69-S72 WeakPolarHBondContact CA-OG 3.12Å; V69-S72 PolarHBondContact O-OG 2.83Å; V69-S72 VanDerWaalsContact O-OG 3.13Å; V69-Q73 WeakPolarHBondContact O-CB 3.49Å; V69-Q73 WeakPolarHBondContact O-CG 3.21Å; V69-Q73 PolarHBondContact O-N 3.38Å; V69-Q73 VanDerWaalsContact O-N 3.1Å
70I64.8Low62Low85 Ų8592.8 Ų92.844%0.43648%0.48SS..Hα-helixtrans-67.1-47.6173.5-70.2171.8000111.2L66 E68 S72 Q73 C74L66-I70 HydrophobicContact CD2-CD1 3.65Å; L66-I70 WeakPolarHBondContact O-CB 3.43Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.37Å; L66-I70 PolarHBondContact O-N 3.01Å; E68-I70 VanDerWaalsContact C-N 3.29Å; E68-I70 PolarHBondContact O-N 3.22Å; I70-S72 PolarHBondContact O-N 2.59Å; I70-Q73 PolarHBondContact O-N 3.34Å; I70-C74 WeakPolarHBondContact O-CB 3.44Å; I70-C74 PolarHBondContact O-N 3.18Å; I70-C74 PolarHBondContact O-SG 2.81Å
71R66.8Low60.2Low128 Ų12889.9 Ų89.948%0.48347%0.472SS..Hα-helixtrans-59.4-45.2179.1-79173.2-170.4109.911.2112E67 E68 C74 Q75E67-R71 VanDerWaalsContact CB-NH1 3.28Å; E67-R71 WeakPolarHBondContact O-CB 3.43Å; E67-R71 VanDerWaalsContact O-CG 3.24Å; E67-R71 WeakPolarHBondContact O-CG 3.14Å; E67-R71 PolarHBondContact O-N 3.06Å; E67-R71 IonicContact OE2-CZ 2.77Å; E67-R71 IonicContact OE2-NH1 3.9Å; E67-R71 PolarHBondContact OE2-NH1 3.21Å; E67-R71 IonicContact OE2-NH2 3.22Å; E67-R71 PolarHBondContact OE2-NH2 3.15Å; E68-R71 PolarHBondContact O-N 3Å; R71-C74 PolarHBondContact O-N 3.07Å; R71-Q75 VanDerWaalsContact O-CB 3.3Å; R71-Q75 WeakPolarHBondContact O-CB 3.41Å; R71-Q75 VanDerWaalsContact O-CG 3.31Å; R71-Q75 WeakPolarHBondContact O-CG 3.03Å; R71-Q75 PolarHBondContact O-N 2.93Å
72S61Low58.6Low57 Ų5790.6 Ų90.640%0.39947%0.465SS..Hα-helixtrans-67.1-33.8178.853.50000112.6E68 V69 I70 S76E68-S72 WeakPolarHBondContact O-CB 3.23Å; E68-S72 PolarHBondContact O-N 3.29Å; E68-S72 PolarHBondContact O-OG 2.96Å; V69-S72 WeakPolarHBondContact CA-OG 3.12Å; V69-S72 PolarHBondContact O-OG 2.83Å; V69-S72 VanDerWaalsContact O-OG 3.13Å; I70-S72 PolarHBondContact O-N 2.59Å; S72-S76 WeakPolarHBondContact O-CB 3.43Å; S72-S76 PolarHBondContact O-N 2.88Å; S72-S76 VanDerWaalsContact O-N 3.09Å; S72-S76 PolarHBondContact O-OG 2.62Å
73Q53.1Low57.2Low55 Ų5593.5 Ų93.526%0.25748%0.482SS..Hα-helixtrans-69.5-42.3169.8-74.3-177.7-9.200112.4V69 I70 Q75 S76V69-Q73 WeakPolarHBondContact O-CB 3.49Å; V69-Q73 WeakPolarHBondContact O-CG 3.21Å; V69-Q73 PolarHBondContact O-N 3.38Å; V69-Q73 VanDerWaalsContact O-N 3.1Å; I70-Q73 PolarHBondContact O-N 3.34Å; Q73-Q75 PolarHBondContact O-N 3.08Å; Q73-S76 PolarHBondContact O-N 3.19Å
74C55.5Low55.8Low97 Ų9791.6 Ų91.666%0.65549%0.485SS*.Hα-helixtrans-70-28.1177.2-67.50000113.9I70 R71I70-C74 WeakPolarHBondContact O-CB 3.44Å; I70-C74 PolarHBondContact O-N 3.18Å; I70-C74 PolarHBondContact O-SG 2.81Å; R71-C74 PolarHBondContact O-N 3.07Å
75Q57.6Low54.7Low159 Ų15986.5 Ų86.574%0.74348%0.475SS*.Hα-helixtrans-85.7-16.3175.2-72.5176.8-11.800112.9R71 Q73 G77R71-Q75 VanDerWaalsContact O-CB 3.3Å; R71-Q75 WeakPolarHBondContact O-CB 3.41Å; R71-Q75 VanDerWaalsContact O-CG 3.31Å; R71-Q75 WeakPolarHBondContact O-CG 3.03Å; R71-Q75 PolarHBondContact O-N 2.93Å; Q73-Q75 PolarHBondContact O-N 3.08Å; Q75-G77 PolarHBondContact O-N 2.82Å; Q75-G77 VanDerWaalsContact O-N 3.16Å
76S49.4Very low53.7Low76 Ų7687.8 Ų87.853%0.53148%0.484SS..  trans-84.239.1168.3-54.20000111.1S72 Q73 D78S72-S76 WeakPolarHBondContact O-CB 3.43Å; S72-S76 PolarHBondContact O-N 2.88Å; S72-S76 VanDerWaalsContact O-N 3.09Å; S72-S76 PolarHBondContact O-OG 2.62Å; Q73-S76 PolarHBondContact O-N 3.19Å; S76-D78 PolarHBondContact O-N 3.09Å; S76-D78 VanDerWaalsContact O-N 3.11Å
77G41.9Very low53Low56 Ų5688.7 Ų88.758%0.57749%0.488SS*.THydrogen-bonded Turntrans-74.74.3-165.200000116.1Q75 Y79Q75-G77 PolarHBondContact O-N 2.82Å; Q75-G77 VanDerWaalsContact O-N 3.16Å; G77-Y79 PolarHBondContact O-N 2.89Å
78D40.8Very low52Low137 Ų13787.6 Ų87.673%0.73349%0.486SS*.THydrogen-bonded Turntrans-78.6-1.9-172.4-53.8-44000114S76S76-D78 PolarHBondContact O-N 3.09Å; S76-D78 VanDerWaalsContact O-N 3.11Å
79Y42Very low51.1Low192 Ų19286.8 Ų86.875%0.75349%0.485SS*.  trans-126.898179.7-56.8-80.9000110.3G77G77-Y79 PolarHBondContact O-N 2.89Å
80P37.8Very low50.8Low99 Ų9990.8 Ų90.864%0.64350%0.501SS*.  trans-62.7144168.628.3-33.5000109.6Y490P80-Y490 WeakPolarHBondContact O-CD1 3.45Å
81G43Very low50.5Low30 Ų3091.1 Ų91.131%0.30950%0.5SS..  trans110-23.5150.500000120.2N83 Y490G81-N83 PolarHBondContact O-N 3.38Å; G81-Y490 VanDerWaalsContact CA-CE1 3.5Å; G81-Y490 WeakPolarHBondContact O-CE2 3.38Å
82M40.9Very low50.2Low79 Ų7987 Ų8739%0.38949%0.488SS..SBendtrans-57.8142.3171.3-62.3-165.386.700109.8T84 L87 M486M82-T84 PolarHBondContact O-N 2.75Å; M82-L87 HydrophobicContact CE-CD1 3.87Å; M82-L87 HydrophobicContact SD-CD1 4.06Å; M82-M486 HydrophobicContact CB-CG 4Å; M82-M486 HydrophobicContact CB-SD 4.34Å; M82-M486 HydrophobicContact CE-CB 3.92Å; M82-M486 HydrophobicContact CE-CE 4.39Å; M82-M486 HydrophobicContact CE-CG 3.63Å; M82-M486 HydrophobicContact CG-CG 3.73Å
83N46.4Very low50.1Low91 Ų9187.7 Ų87.749%0.48749%0.493SS..  trans-68.681.7173.7-81.4-85.1000110.2G81 S85 L86 M486G81-N83 PolarHBondContact O-N 3.38Å; N83-S85 PolarHBondContact O-N 3.16Å; N83-S85 VanDerWaalsContact O-N 3.09Å; N83-L86 HydrophobicContact CB-CD1 4.27Å; N83-L86 HydrophobicContact CB-CG 4.47Å; N83-L86 PolarHBondContact O-N 2.98Å; N83-M486 HydrophobicContact CB-CE 4.14Å; N83-M486 HydrophobicContact CB-SD 4.41Å
84T46.6Very low50.2Low92 Ų9287 Ų8756%0.56449%0.491SS*.Hα-helixtrans-54.7-29.3-177.650.70000112.5M82 L86 S88M82-T84 PolarHBondContact O-N 2.75Å; T84-L86 VanDerWaalsContact C-N 3.31Å; T84-L86 PolarHBondContact O-N 3.5Å; T84-S88 VanDerWaalsContact O-CB 3.26Å; T84-S88 WeakPolarHBondContact O-CB 3.46Å; T84-S88 PolarHBondContact O-N 3.1Å; T84-S88 PolarHBondContact O-OG 3.14Å
85S51.4Low50.4Low61 Ų6183.7 Ų83.743%0.42747%0.466SS..Hα-helixtrans-58-34.4171.758.10000113.9N83 S88 L89N83-S85 PolarHBondContact O-N 3.16Å; N83-S85 VanDerWaalsContact O-N 3.09Å; S85-S88 WeakPolarHBondContact CA-OG 3.17Å; S85-S88 PolarHBondContact O-OG 3.39Å; S85-L89 WeakPolarHBondContact O-CB 3.46Å; S85-L89 WeakPolarHBondContact O-CD1 3.18Å; S85-L89 WeakPolarHBondContact O-CG 3.35Å; S85-L89 PolarHBondContact O-N 3.14Å
86L50.5Low50.2Low93 Ų9380.6 Ų80.649%0.48745%0.451SS..Hα-helixtrans-83.3-41.1-179.3-71175.9000112.5N83 T84 L89 Q90N83-L86 HydrophobicContact CB-CD1 4.27Å; N83-L86 HydrophobicContact CB-CG 4.47Å; N83-L86 PolarHBondContact O-N 2.98Å; T84-L86 VanDerWaalsContact C-N 3.31Å; T84-L86 PolarHBondContact O-N 3.5Å; L86-L89 PolarHBondContact O-N 2.55Å; L86-Q90 WeakPolarHBondContact O-CB 3.38Å; L86-Q90 PolarHBondContact O-N 2.92Å
87L52.2Low50.5Low68 Ų6881.3 Ų81.336%0.35645%0.452SS..Hα-helixtrans-66.8-40.9174-78.3167.4000111.5M82 Q90 H91M82-L87 HydrophobicContact CE-CD1 3.87Å; M82-L87 HydrophobicContact SD-CD1 4.06Å; L87-Q90 PolarHBondContact O-N 3.01Å; L87-H91 PolarHBondContact O-CD2 3.34Å; L87-H91 PolarHBondContact O-N 2.83Å
88S52.6Low50.8Low25 Ų2580.8 Ų80.818%0.17544%0.439CS..Hα-helixtrans-63.6-43.7169.857.60000111.9T84 S85 Q90 H91 I92T84-S88 VanDerWaalsContact O-CB 3.26Å; T84-S88 WeakPolarHBondContact O-CB 3.46Å; T84-S88 PolarHBondContact O-N 3.1Å; T84-S88 PolarHBondContact O-OG 3.14Å; S85-S88 WeakPolarHBondContact CA-OG 3.17Å; S85-S88 PolarHBondContact O-OG 3.39Å; S88-Q90 VanDerWaalsContact C-N 3.3Å; S88-Q90 PolarHBondContact O-N 3.48Å; S88-H91 PolarHBondContact O-N 3.34Å; S88-I92 VanDerWaalsContact O-CB 3.23Å; S88-I92 WeakPolarHBondContact O-CB 3.48Å; S88-I92 WeakPolarHBondContact O-CD1 3.16Å; S88-I92 WeakPolarHBondContact O-CG1 3.48Å; S88-I92 PolarHBondContact O-N 2.88Å
89L54.4Low50.8Low104 Ų10477 Ų7755%0.54543%0.426SS..Hα-helixtrans-60.8-35.3174.5-82.7169.1000113.1S85 L86 S93S85-L89 WeakPolarHBondContact O-CB 3.46Å; S85-L89 WeakPolarHBondContact O-CD1 3.18Å; S85-L89 WeakPolarHBondContact O-CG 3.35Å; S85-L89 PolarHBondContact O-N 3.14Å; L86-L89 PolarHBondContact O-N 2.55Å; L89-S93 VanDerWaalsContact O-CB 3.29Å; L89-S93 WeakPolarHBondContact O-CB 3.41Å; L89-S93 PolarHBondContact O-N 2.83Å
90Q59.2Low50.5Low122 Ų12274 Ų7457%0.5743%0.431SS*.Hα-helixtrans-72.2-42.6176-173.3162.8-3000111.7L86 L87 S88 I92 S93 D94L86-Q90 WeakPolarHBondContact O-CB 3.38Å; L86-Q90 PolarHBondContact O-N 2.92Å; L87-Q90 PolarHBondContact O-N 3.01Å; S88-Q90 VanDerWaalsContact C-N 3.3Å; S88-Q90 PolarHBondContact O-N 3.48Å; Q90-I92 VanDerWaalsContact C-N 3.32Å; Q90-I92 PolarHBondContact O-N 3.32Å; Q90-S93 WeakPolarHBondContact O-CB 3.43Å; Q90-S93 PolarHBondContact O-N 3.4Å; Q90-D94 PolarHBondContact O-N 3.32Å
91H56.8Low50.5Low92 Ų9275.3 Ų75.343%0.42644%0.442SS..Hα-helixtrans-61.9-39171.8-70.1-172.9000111.9L87 S88 D94 L95L87-H91 PolarHBondContact O-CD2 3.34Å; L87-H91 PolarHBondContact O-N 2.83Å; S88-H91 PolarHBondContact O-N 3.34Å; H91-D94 PolarHBondContact O-N 3.02Å; H91-L95 VanDerWaalsContact O-CB 3.25Å; H91-L95 WeakPolarHBondContact O-CB 3.07Å; H91-L95 PolarHBondContact O-N 2.92Å
92I60.8Low50.2Low43 Ų4377.2 Ų77.222%0.22146%0.462CS..Hα-helixtrans-67-38174.6-72164.1000110.9L66 S88 Q90 L95 F96L66-I92 HydrophobicContact CD1-CD1 4.48Å; L66-I92 HydrophobicContact CD1-CG1 4.48Å; S88-I92 VanDerWaalsContact O-CB 3.23Å; S88-I92 WeakPolarHBondContact O-CB 3.48Å; S88-I92 WeakPolarHBondContact O-CD1 3.16Å; S88-I92 WeakPolarHBondContact O-CG1 3.48Å; S88-I92 PolarHBondContact O-N 2.88Å; Q90-I92 VanDerWaalsContact C-N 3.32Å; Q90-I92 PolarHBondContact O-N 3.32Å; I92-L95 PolarHBondContact O-N 3.09Å; I92-F96 HydrophobicContact CG2-CD2 3.6Å; I92-F96 HydrophobicContact CG2-CE2 3.43Å; I92-F96 VanDerWaalsContact CG2-CE2 3.43Å; I92-F96 WeakPolarHBondContact O-CB 3.44Å; I92-F96 WeakPolarHBondContact O-CD2 3.43Å; I92-F96 PolarHBondContact O-N 2.84Å
93S59.5Low49.9Very low71 Ų7182.9 Ų82.950%0.49749%0.485SS..Hα-helixtrans-66.1-42174.6-174.30000111.9L89 Q90 T97L89-S93 VanDerWaalsContact O-CB 3.29Å; L89-S93 WeakPolarHBondContact O-CB 3.41Å; L89-S93 PolarHBondContact O-N 2.83Å; Q90-S93 WeakPolarHBondContact O-CB 3.43Å; Q90-S93 PolarHBondContact O-N 3.4Å; S93-T97 WeakPolarHBondContact O-CB 3.37Å; S93-T97 PolarHBondContact O-N 2.83Å; S93-T97 VanDerWaalsContact O-N 3.11Å; S93-T97 PolarHBondContact O-OG1 2.95Å
94D56Low49.1Very low41 Ų4184.6 Ų84.622%0.21950%0.501CS..Hα-helixtrans-63.4-45173.3-90.9-36.6000110.6Q90 H91 F96 T97 S98 R125Q90-D94 PolarHBondContact O-N 3.32Å; H91-D94 PolarHBondContact O-N 3.02Å; D94-F96 PolarHBondContact O-N 3.08Å; D94-T97 WeakPolarHBondContact O-CA 3.48Å; D94-T97 WeakPolarHBondContact O-CB 3.43Å; D94-T97 PolarHBondContact O-N 3.49Å; D94-S98 PolarHBondContact O-N 3.49Å; D94-S98 VanDerWaalsContact O-N 3.12Å; D94-S98 PolarHBondContact O-OG 3.14Å; D94-R125 IonicContact OD1-CZ 2.66Å; D94-R125 VanDerWaalsContact OD1-CZ 3.27Å; D94-R125 IonicContact OD1-NH1 3Å; D94-R125 PolarHBondContact OD1-NH1 2.93Å; D94-R125 IonicContact OD1-NH2 3.78Å; D94-R125 PolarHBondContact OD1-NH2 2.92Å; D94-R125 IonicContact OD2-CZ 3.34Å; D94-R125 IonicContact OD2-NH1 2.78Å; D94-R125 IonicContact OD2-NH2 3.06Å; D94-R125 PolarHBondContact OD2-NH2 3.03Å
95L58.6Low48.5Very low27 Ų2788.6 Ų88.614%0.14152%0.518CS..Hα-helixtrans-60.3-40.9176.7-178.560.1000113F62 E65 H91 I92 T97 S98F62-L95 HydrophobicContact CD2-CD2 3.85Å; F62-L95 HydrophobicContact CD2-CG 4.17Å; F62-L95 HydrophobicContact CE2-CD2 3.52Å; F62-L95 HydrophobicContact CE2-CG 3.88Å; F62-L95 HydrophobicContact CZ-CD2 4.42Å; E65-L95 HydrophobicContact CG-CD1 4.46Å; E65-L95 WeakPolarHBondContact OE1-CD1 2.97Å; E65-L95 WeakPolarHBondContact OE2-CD1 3.28Å; H91-L95 VanDerWaalsContact O-CB 3.25Å; H91-L95 WeakPolarHBondContact O-CB 3.07Å; H91-L95 PolarHBondContact O-N 2.92Å; I92-L95 PolarHBondContact O-N 3.09Å; L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 2.91Å; L95-S98 PolarHBondContact O-N 3.26Å
96F52.7Low47.4Very low94 Ų9488.9 Ų88.941%0.41253%0.531SS..Hα-helixtrans-70.2-20.4172.6-80.2-55.8000113.6I56 L57 F62 I92 D94I56-F96 HydrophobicContact CG2-CD1 4.4Å; I56-F96 HydrophobicContact CG2-CE1 3.94Å; L57-F96 HydrophobicContact CD2-CZ 4.4Å; F62-F96 HydrophobicContact CE2-CD1 4.49Å; F62-F96 HydrophobicContact CE2-CE1 4.04Å; F62-F96 HydrophobicContact CE2-CZ 4.23Å; F62-F96 AromaticContact CZ-CE1 3.87Å; F62-F96 HydrophobicContact CZ-CE1 3.87Å; F62-F96 HydrophobicContact CZ-CE2 4.39Å; F62-F96 AromaticContact CZ-CZ 3.68Å; F62-F96 HydrophobicContact CZ-CZ 3.68Å; I92-F96 HydrophobicContact CG2-CD2 3.6Å; I92-F96 HydrophobicContact CG2-CE2 3.43Å; I92-F96 VanDerWaalsContact CG2-CE2 3.43Å; I92-F96 WeakPolarHBondContact O-CB 3.44Å; I92-F96 WeakPolarHBondContact O-CD2 3.43Å; I92-F96 PolarHBondContact O-N 2.84Å; D94-F96 PolarHBondContact O-N 3.08Å
97T57.2Low46.2Very low91 Ų9188.3 Ų88.356%0.55855%0.547SS*.Hα-helixtrans-83.2-23.6177.1-56.30000112.1S93 D94 L95S93-T97 WeakPolarHBondContact O-CB 3.37Å; S93-T97 PolarHBondContact O-N 2.83Å; S93-T97 VanDerWaalsContact O-N 3.11Å; S93-T97 PolarHBondContact O-OG1 2.95Å; D94-T97 WeakPolarHBondContact O-CA 3.48Å; D94-T97 WeakPolarHBondContact O-CB 3.43Å; D94-T97 PolarHBondContact O-N 3.49Å; L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 2.91Å
98S48.3Very low45Very low45 Ų4588.9 Ų88.932%0.31557%0.569SS.*SBendtrans-113.638.5-17763.20000114.2D94 L95 P100D94-S98 PolarHBondContact O-N 3.49Å; D94-S98 VanDerWaalsContact O-N 3.12Å; D94-S98 PolarHBondContact O-OG 3.14Å; L95-S98 PolarHBondContact O-N 3.26Å; S98-P100 VanDerWaalsContact O-CD 3.28Å; S98-P100 WeakPolarHBondContact O-CD 3.43Å
99A39.6Very low43.9Very low56 Ų5691.1 Ų91.146%0.46360%0.596SS.*  trans-67.9115.3179.400000112.1I56 S101I56-A99 HydrophobicContact CD1-CB 4.05Å; A99-S101 PolarHBondContact O-N 3.38Å
100P36.9Very low43Very low129 Ų12995.3 Ų95.384%0.83861%0.61SS**  trans-88102.8-169.433-32.8000112.3S98S98-P100 VanDerWaalsContact O-CD 3.28Å; S98-P100 WeakPolarHBondContact O-CD 3.43Å
101S38Very low42.1Very low127 Ų12793 Ų9389%0.88861%0.608SS**  trans-159.5110.6165-159.90000112.8A99A99-S101 PolarHBondContact O-N 3.38Å
102G36.4Very low41.2Very low71 Ų71100.6 Ų100.673%0.73263%0.632SS**  trans115.5120.317500000113.4
103K33.1Very low40Very low197 Ų197101.8 Ų101.886%0.85766%0.655SS**  trans-62129.8166.3-63178.1177.7-177.40108.4L105K103-L105 VanDerWaalsContact C-N 3.3Å; K103-L105 PolarHBondContact O-N 2.85Å
104P31.3Very low39.2Very low128 Ų128103 Ų10383%0.83165%0.653SS**  trans-74.484.3173.930.4-33.5000109.8G106P104-G106 PolarHBondContact O-N 2.85Å
105L32.8Very low38.5Very low176 Ų176111.9 Ų111.992%0.92168%0.684SS**  trans-7774178.8-163.776000110.7K103K103-L105 VanDerWaalsContact C-N 3.3Å; K103-L105 PolarHBondContact O-N 2.85Å
106G28Very low38Very low67 Ų67116.9 Ų116.969%0.69171%0.71SS**SBendtrans97.1140.5173.300000115.7P104P104-G106 PolarHBondContact O-N 2.85Å
107G26.4Very low38.2Very low81 Ų81115.3 Ų115.384%0.83572%0.721SS**SBendtrans59.5102149.600000120
108G26.6Very low39Very low80 Ų80113.4 Ų113.483%0.82571%0.709SS**  trans71.887.8148.100000117.2
109G29.8Very low40.7Very low71 Ų71114.7 Ų114.773%0.73271%0.711SS**  trans-147.147-177.900000114.9S111G109-S111 PolarHBondContact O-N 2.93Å
110F35.4Very low42.9Very low192 Ų192113.8 Ų113.884%0.84270%0.701SS**  trans-64104.2-176.6-68.1-79.3000113.1R112F110-R112 PolarHBondContact O-N 3.4Å
111S40.1Very low45.4Very low74 Ų74107.7 Ų107.752%0.51766%0.661SS.*  trans-60.6125.9171.9-76.70000111.2G109 G113 H114G109-S111 PolarHBondContact O-N 2.93Å; S111-G113 PolarHBondContact O-N 3.1Å; S111-H114 PolarHBondContact O-N 3.14Å; S111-H114 PolarHBondContact O-ND1 3.36Å
112R38.8Very low47.8Very low251 Ų251103.3 Ų103.395%0.94763%0.628SS**THydrogen-bonded Turntrans-52.9-0.1-163.1-108177177.9172.7-1119F110F110-R112 PolarHBondContact O-N 3.4Å
113G35.3Very low50.3Low68 Ų68102 Ų10270%0.70160%0.604SS**THydrogen-bonded Turntrans-85.7-18.917500000115.1S111 R115S111-G113 PolarHBondContact O-N 3.1Å; G113-R115 VanDerWaalsContact C-N 3.26Å; G113-R115 PolarHBondContact O-N 3.07Å
114H41.6Very low52.6Low96 Ų9692.7 Ų92.744%0.44456%0.564SS.*  trans-78.762.2-174.8-65.883.4000113.1S111 N116S111-H114 PolarHBondContact O-N 3.14Å; S111-H114 PolarHBondContact O-ND1 3.36Å; H114-N116 VanDerWaalsContact C-N 3.27Å; H114-N116 PolarHBondContact O-N 2.93Å
115R41.7Very low54.3Low229 Ų22990.5 Ų90.586%0.86454%0.539SS*.THydrogen-bonded Turntrans-70.6-18.2177.9-80.5-170167.6-158.8-5.9114.7G113G113-R115 VanDerWaalsContact C-N 3.26Å; G113-R115 PolarHBondContact O-N 3.07Å
116N47.5Very low55.9Low131 Ų13183.2 Ų83.270%0.70151%0.506SS*.THydrogen-bonded Turntrans-117.44.5-176.7-64.125.2000113.6H114 V118H114-N116 VanDerWaalsContact C-N 3.27Å; H114-N116 PolarHBondContact O-N 2.93Å; N116-V118 HydrophobicContact CB-CG2 4.22Å; N116-V118 PolarHBondContact O-N 2.67Å
117G58Low57.4Low61 Ų6182.3 Ų82.363%0.62950%0.497SS*.  trans69.2-13.5-177.700000116.9I119G117-I119 PolarHBondContact O-N 3Å
118V73.1Confident59.1Low51 Ų5183.1 Ų83.131%0.30948%0.482SS..PPolyproline II helixtrans-62130.6-178.7-1770000112.3N116 C437N116-V118 HydrophobicContact CB-CG2 4.22Å; N116-V118 PolarHBondContact O-N 2.67Å; V118-C437 HydrophobicContact CG1-CB 4.28Å
119I83.4Confident60.9Low72 Ų7280.3 Ų80.337%0.36945%0.451SS..PPolyproline II helixtrans-77.4130.1174-57.6172.4000109.3G117 T187G117-I119 PolarHBondContact O-N 3Å; I119-T187 HydrophobicContact CG2-CG2 3.58Å
120P86.8Confident62.6Low38 Ų3882.2 Ų82.225%0.24745%0.449CS..PPolyproline II helixtrans-72.4134.2177.529.8-34.5000112C437 R438P120-C437 CarbonylContact C-O 3.37Å; P120-C437 WeakPolarHBondContact CA-O 3.41Å; P120-R438 HydrophobicContact CB-CB 4.26Å
121I89.9Confident64.7Low0 Ų077.8 Ų77.80%044%0.437CS..SBendtrans-67.9-49.1176.8-62.5161.9000110.5D123 A144 R148 A188 L432 C437 T439I121-D123 VanDerWaalsContact C-N 3.29Å; I121-D123 PolarHBondContact O-N 3.18Å; I121-D123 VanDerWaalsContact O-N 3.13Å; I121-A144 HydrophobicContact CG2-CB 3.69Å; I121-R148 HydrophobicContact CD1-CB 4.33Å; I121-R148 HydrophobicContact CD1-CG 3.71Å; I121-R148 HydrophobicContact CG1-CG 3.76Å; I121-A188 VanDerWaalsContact O-CB 3.24Å; I121-A188 WeakPolarHBondContact O-CB 3.48Å; I121-A188 PolarHBondContact O-N 3.25Å; I121-L432 HydrophobicContact CD1-CD1 4.16Å; I121-C437 HydrophobicContact CD1-CB 3.61Å; I121-C437 HydrophobicContact CG1-CB 4.14Å; I121-C437 WeakPolarHBondContact CG1-O 3.26Å; I121-C437 PolarHBondContact N-O 2.63Å; I121-T439 HydrophobicContact CD1-CG2 3.85Å
122N88.3Confident66.8Low36 Ų3675.4 Ų75.419%0.19342%0.417CS..  trans-86.470.8174.6-175.917.2000110.5R137 R438N122-R137 PolarHBondContact OD1-NH2 3.41Å; N122-R438 WeakPolarHBondContact CB-O 3.44Å; N122-R438 PolarHBondContact N-O 3.13Å
123D87.6Confident69Low44 Ų4466.5 Ų66.524%0.23539%0.393CS..  trans-77.9-26.8173.861.4-17.2000113.2I121 R125 T187 A188 S189I121-D123 VanDerWaalsContact C-N 3.29Å; I121-D123 PolarHBondContact O-N 3.18Å; I121-D123 VanDerWaalsContact O-N 3.13Å; D123-R125 WeakPolarHBondContact O-CG 3.32Å; D123-R125 PolarHBondContact O-N 3.16Å; D123-T187 WeakPolarHBondContact OD2-CB 3.17Å; D123-T187 PolarHBondContact OD2-OG1 3.46Å; D123-A188 PolarHBondContact OD1-N 3.27Å; D123-S189 PolarHBondContact OD1-N 3.27Å; D123-S189 WeakPolarHBondContact OD2-CB 3.39Å; D123-S189 PolarHBondContact OD2-OG 2.99Å
124L81.6Confident71.4Confident1 Ų173.6 Ų73.61%0.00540%0.399CS..  trans-52.7100.1175.5-67.7174.9000112.1D128 Y132 R137 R140 A188L124-D128 HydrophobicContact CD2-CB 4.3Å; L124-Y132 HydrophobicContact CD1-CD2 4.17Å; L124-Y132 HydrophobicContact CD2-CD2 3.86Å; L124-Y132 HydrophobicContact CD2-CE2 3.68Å; L124-R137 HydrophobicContact CD1-CG 3.9Å; L124-R137 PolarHBondContact O-NH2 2.83Å; L124-R140 HydrophobicContact CD1-CB 4.4Å; L124-A188 HydrophobicContact CD1-CB 3.65Å; L124-A188 HydrophobicContact CG-CB 3.92Å
125R68.1Low73.5Confident81 Ų8177.5 Ų77.531%0.30641%0.41SS..  trans-140.7154.2-175.2-72.1173.6166.2-130.9-14.2110.3D94 D123D94-R125 IonicContact OD1-CZ 2.66Å; D94-R125 VanDerWaalsContact OD1-CZ 3.27Å; D94-R125 IonicContact OD1-NH1 3Å; D94-R125 PolarHBondContact OD1-NH1 2.93Å; D94-R125 IonicContact OD1-NH2 3.78Å; D94-R125 PolarHBondContact OD1-NH2 2.92Å; D94-R125 IonicContact OD2-CZ 3.34Å; D94-R125 IonicContact OD2-NH1 2.78Å; D94-R125 IonicContact OD2-NH2 3.06Å; D94-R125 PolarHBondContact OD2-NH2 3.03Å; D123-R125 WeakPolarHBondContact O-CG 3.32Å; D123-R125 PolarHBondContact O-N 3.16Å
126G65Low75.9Confident23 Ų2367.3 Ų67.324%0.23737%0.372CS..THydrogen-bonded Turntrans59.9-136.9-179.400000112.9D128 A129G126-D128 VanDerWaalsContact C-N 3.3Å; G126-D128 PolarHBondContact O-N 2.8Å; G126-A129 WeakPolarHBondContact O-CB 3.44Å; G126-A129 PolarHBondContact O-N 2.77Å
127G60.6Low77.9Confident48 Ų4864.7 Ų64.750%0.49535%0.352SS..THydrogen-bonded Turntrans-54.8-38.8-175.800000114.6A129 T130 V131G127-A129 PolarHBondContact O-N 3.38Å; G127-T130 PolarHBondContact O-N 3.41Å; G127-T130 PolarHBondContact O-OG1 2.97Å; G127-V131 PolarHBondContact O-N 3.39Å
128D63.2Low79.4Confident98 Ų9864.4 Ų64.452%0.52434%0.34SS..Hα-helixtrans-65.3-25.1-179.7-54-27.8000111.7L124 G126 T130 V131 Y132L124-D128 HydrophobicContact CD2-CB 4.3Å; G126-D128 VanDerWaalsContact C-N 3.3Å; G126-D128 PolarHBondContact O-N 2.8Å; D128-T130 VanDerWaalsContact C-N 3.29Å; D128-T130 PolarHBondContact O-N 3.12Å; D128-V131 PolarHBondContact O-N 3.42Å; D128-Y132 VanDerWaalsContact O-CD2 3.23Å; D128-Y132 WeakPolarHBondContact O-CD2 3.34Å
129A63.7Low80.4Confident22 Ų2262.9 Ų62.918%0.18233%0.33CS..Hα-helixtrans-75.3-13.9172.800000113.8G126 G127G126-A129 WeakPolarHBondContact O-CB 3.44Å; G126-A129 PolarHBondContact O-N 2.77Å; G127-A129 PolarHBondContact O-N 3.38Å
130T65.7Low80.9Confident111 Ų11159.4 Ų59.468%0.68131%0.313SS*.Hα-helixtrans-93-19.117371.70000113.5G127 D128 Y132G127-T130 PolarHBondContact O-N 3.41Å; G127-T130 PolarHBondContact O-OG1 2.97Å; D128-T130 VanDerWaalsContact C-N 3.29Å; D128-T130 PolarHBondContact O-N 3.12Å; T130-Y132 PolarHBondContact O-N 3.48Å
131V79.4Confident81.2Confident98 Ų9858 Ų5859%0.59430%0.304SS*.Hα-helixtrans-66.1-30.6174.4-179.60000111.2G127 D128G127-V131 PolarHBondContact O-N 3.39Å; D128-V131 PolarHBondContact O-N 3.42Å
132Y83.8Confident81.4Confident25 Ų2560.1 Ų60.110%0.09831%0.313CS..SBendtrans-109.6135.3-173.6-55.6-53.7000113.1L124 D128 T130 E136 D202L124-Y132 HydrophobicContact CD1-CD2 4.17Å; L124-Y132 HydrophobicContact CD2-CD2 3.86Å; L124-Y132 HydrophobicContact CD2-CE2 3.68Å; D128-Y132 VanDerWaalsContact O-CD2 3.23Å; D128-Y132 WeakPolarHBondContact O-CD2 3.34Å; T130-Y132 PolarHBondContact O-N 3.48Å; Y132-E136 WeakPolarHBondContact CD1-OE1 3.31Å; Y132-D202 WeakPolarHBondContact CE1-OD2 3.06Å; Y132-D202 PolarHBondContact OH-OD2 3.46Å
133S85.6Confident81.7Confident64 Ų6458.4 Ų58.445%0.44830%0.304SS..  trans-58.5148.6172.673.10000111.3R135 E136 R137S133-R135 PolarHBondContact O-N 3.26Å; S133-E136 PolarHBondContact O-N 3.25Å; S133-E136 WeakPolarHBondContact OG-CB 3.45Å; S133-E136 PolarHBondContact OG-N 2.88Å; S133-E136 VanDerWaalsContact OG-N 3.11Å; S133-R137 PolarHBondContact O-N 3.25Å
134R84.5Confident82.1Confident217 Ų21756.3 Ų56.382%0.81929%0.292SS*.Hα-helixtrans-51.9-32.1177.8-174.3176.5177.1-179.7-0.2112.9S138R134-S138 WeakPolarHBondContact O-CB 3.39Å; R134-S138 PolarHBondContact O-N 2.84Å
135R87Confident82.7Confident177 Ų17756.3 Ų56.367%0.66829%0.292SS*.Hα-helixtrans-71.9-49.2173.9-177.4178.5-73.1-166.3-0.4112S133 S138 L139S133-R135 PolarHBondContact O-N 3.26Å; R135-S138 PolarHBondContact O-N 2.94Å; R135-L139 HydrophobicContact CG-CD1 4.21Å; R135-L139 WeakPolarHBondContact O-CG 3.25Å; R135-L139 PolarHBondContact O-N 2.95Å
136E90.6Very high84Confident16 Ų1652.4 Ų52.48%0.07528%0.278CS..Hα-helixtrans-62.1-44.9178.7-173.1177.3154.600111.5Y132 S133 S138 L139 R140 V167 K193Y132-E136 WeakPolarHBondContact CD1-OE1 3.31Å; S133-E136 PolarHBondContact O-N 3.25Å; S133-E136 WeakPolarHBondContact OG-CB 3.45Å; S133-E136 PolarHBondContact OG-N 2.88Å; S133-E136 VanDerWaalsContact OG-N 3.11Å; E136-S138 VanDerWaalsContact C-N 3.33Å; E136-S138 PolarHBondContact O-N 3.37Å; E136-L139 PolarHBondContact O-N 3.15Å; E136-L139 VanDerWaalsContact O-N 3.16Å; E136-R140 WeakPolarHBondContact O-CG 3.45Å; E136-R140 PolarHBondContact O-N 3.2Å; E136-R140 IonicContact OE1-CZ 2.67Å; E136-R140 IonicContact OE1-NE 3.32Å; E136-R140 PolarHBondContact OE1-NE 3Å; E136-R140 VanDerWaalsContact OE1-NE 3.15Å; E136-R140 IonicContact OE1-NH2 3.18Å; E136-R140 PolarHBondContact OE1-NH2 2.91Å; E136-V167 HydrophobicContact CB-CG1 4.02Å; E136-V167 HydrophobicContact CG-CG1 3.93Å; E136-V167 HydrophobicContact CG-CG2 4.5Å; E136-K193 IonicContact OE1-NZ 2.72Å; E136-K193 PolarHBondContact OE1-NZ 2.91Å; E136-K193 IonicContact OE2-NZ 3.48Å; E136-K193 PolarHBondContact OE2-NZ 3.39Å
137R89.8Confident85.4Confident76 Ų7651.3 Ų51.329%0.28727%0.267SS..Hα-helixtrans-57.7-43.1175.4-178.7170.5177.5-152.6-2.2112.3N122 L124 S133 R140 C141N122-R137 PolarHBondContact OD1-NH2 3.41Å; L124-R137 HydrophobicContact CD1-CG 3.9Å; L124-R137 PolarHBondContact O-NH2 2.83Å; S133-R137 PolarHBondContact O-N 3.25Å; R137-R140 PolarHBondContact O-N 2.91Å; R137-C141 PolarHBondContact O-N 2.76Å; R137-C141 PolarHBondContact O-SG 3.23Å
138S89.9Confident87Confident54 Ų5450 Ų5038%0.37825%0.247SC..Hα-helixtrans-65.4-40176.5-174.80000112.3R134 R135 E136 C141 K142R134-S138 WeakPolarHBondContact O-CB 3.39Å; R134-S138 PolarHBondContact O-N 2.84Å; R135-S138 PolarHBondContact O-N 2.94Å; E136-S138 VanDerWaalsContact C-N 3.33Å; E136-S138 PolarHBondContact O-N 3.37Å; S138-C141 PolarHBondContact O-N 2.8Å; S138-K142 WeakPolarHBondContact O-CG 3.13Å; S138-K142 PolarHBondContact O-N 3.43Å
139L93Very high88.4Confident19 Ų1945.4 Ų45.410%0.09922%0.222CC..Hα-helixtrans-66.2-41.6175.4-67.9171.3000112R135 E136 K142 L143 V165 V167 L175 I321R135-L139 HydrophobicContact CG-CD1 4.21Å; R135-L139 WeakPolarHBondContact O-CG 3.25Å; R135-L139 PolarHBondContact O-N 2.95Å; E136-L139 PolarHBondContact O-N 3.15Å; E136-L139 VanDerWaalsContact O-N 3.16Å; L139-K142 PolarHBondContact O-N 2.93Å; L139-L143 VanDerWaalsContact O-CB 3.24Å; L139-L143 WeakPolarHBondContact O-CB 3.32Å; L139-L143 PolarHBondContact O-N 3.48Å; L139-V165 HydrophobicContact CB-CG1 4.49Å; L139-V165 HydrophobicContact CD2-CG1 4.16Å; L139-V167 HydrophobicContact CD1-CG1 4.42Å; L139-L175 HydrophobicContact CB-CD1 4.34Å; L139-I321 HydrophobicContact CD2-CD1 3.98Å
140R94.3Very high89.8Confident0 Ų044.4 Ų44.40%021%0.213CC..Hα-helixtrans-57.7-48.6173.6-73.9174.6-179.8-111.12.8111.7L124 E136 R137 K142 L143 A144 L175 A188 L191 D202L124-R140 HydrophobicContact CD1-CB 4.4Å; E136-R140 WeakPolarHBondContact O-CG 3.45Å; E136-R140 PolarHBondContact O-N 3.2Å; E136-R140 IonicContact OE1-CZ 2.67Å; E136-R140 IonicContact OE1-NE 3.32Å; E136-R140 PolarHBondContact OE1-NE 3Å; E136-R140 VanDerWaalsContact OE1-NE 3.15Å; E136-R140 IonicContact OE1-NH2 3.18Å; E136-R140 PolarHBondContact OE1-NH2 2.91Å; R137-R140 PolarHBondContact O-N 2.91Å; R140-K142 PolarHBondContact O-N 3.24Å; R140-L143 PolarHBondContact O-N 2.82Å; R140-A144 VanDerWaalsContact O-CB 3.29Å; R140-A144 WeakPolarHBondContact O-CB 3.27Å; R140-A144 PolarHBondContact O-N 3.08Å; R140-L175 HydrophobicContact CG-CD1 3.6Å; R140-L175 HydrophobicContact CG-CD2 4.03Å; R140-L175 HydrophobicContact CG-CG 4.49Å; R140-A188 HydrophobicContact CB-CB 4.04Å; R140-A188 WeakPolarHBondContact CD-O 3.29Å; R140-L191 HydrophobicContact CB-CD1 4.04Å; R140-L191 HydrophobicContact CG-CD1 4.26Å; R140-L191 PolarHBondContact NH1-O 3.2Å; R140-L191 VanDerWaalsContact O-CD1 3.28Å; R140-L191 WeakPolarHBondContact O-CD1 3.39Å; R140-D202 IonicContact CZ-OD2 2.97Å; R140-D202 IonicContact NH1-OD2 3.85Å; R140-D202 IonicContact NH2-OD2 2.62Å; R140-D202 PolarHBondContact NH2-OD2 2.89Å
141C93.3Very high91.1Very high8 Ų841 Ų415%0.05419%0.191CC..Hα-helixtrans-63-43178.5-62.10000112.4R137 S138 S145R137-C141 PolarHBondContact O-N 2.76Å; R137-C141 PolarHBondContact O-SG 3.23Å; S138-C141 PolarHBondContact O-N 2.8Å; C141-S145 WeakPolarHBondContact O-CB 3.4Å; C141-S145 PolarHBondContact O-N 2.85Å; C141-S145 PolarHBondContact O-OG 3.13Å
142K94.4Very high91.7Very high44 Ų4440.4 Ų40.419%0.19118%0.184CC..Hα-helixtrans-66.5-42.6177.1-73.1-173.7179.7-165.40112.5S138 L139 R140 S145 V146 I321 E322 F425S138-K142 WeakPolarHBondContact O-CG 3.13Å; S138-K142 PolarHBondContact O-N 3.43Å; L139-K142 PolarHBondContact O-N 2.93Å; R140-K142 PolarHBondContact O-N 3.24Å; K142-S145 WeakPolarHBondContact O-CB 3.3Å; K142-S145 PolarHBondContact O-N 3.36Å; K142-V146 PolarHBondContact O-N 3.4Å; K142-I321 HydrophobicContact CB-CD1 3.63Å; K142-E322 WeakPolarHBondContact CD-OE1 3.49Å; K142-E322 WeakPolarHBondContact CE-OE1 3.44Å; K142-E322 IonicContact NZ-OE1 3.75Å; K142-E322 PolarHBondContact NZ-OE1 3.06Å; K142-F425 HydrophobicContact CB-CZ 4.44Å; K142-F425 HydrophobicContact CD-CE1 4.5Å; K142-F425 HydrophobicContact CG-CE1 4.33Å
143L95.3Very high92Very high0 Ų042.9 Ų42.90%020%0.196CC..Hα-helixtrans-64.7-48.5177.4176.854.2000111.4L139 R140 S145 V146 Y147 V163 V165 L175 L191L139-L143 VanDerWaalsContact O-CB 3.24Å; L139-L143 WeakPolarHBondContact O-CB 3.32Å; L139-L143 PolarHBondContact O-N 3.48Å; R140-L143 PolarHBondContact O-N 2.82Å; L143-S145 PolarHBondContact O-N 3.2Å; L143-V146 WeakPolarHBondContact O-CB 3.41Å; L143-V146 PolarHBondContact O-N 3.39Å; L143-Y147 HydrophobicContact CD1-CD2 4.12Å; L143-Y147 HydrophobicContact CD1-CE2 3.56Å; L143-Y147 HydrophobicContact CD2-CE2 4.46Å; L143-Y147 HydrophobicContact CG-CD2 4.24Å; L143-Y147 HydrophobicContact CG-CE2 3.76Å; L143-Y147 WeakPolarHBondContact O-CD2 3.05Å; L143-Y147 PolarHBondContact O-N 3.5Å; L143-Y147 VanDerWaalsContact O-N 3.14Å; L143-V163 HydrophobicContact CD1-CB 3.79Å; L143-V163 HydrophobicContact CD1-CG1 3.48Å; L143-V163 VanDerWaalsContact CD1-CG1 3.48Å; L143-V165 HydrophobicContact CB-CG2 4.29Å; L143-V165 HydrophobicContact CD1-CG2 3.88Å; L143-V165 HydrophobicContact CD2-CB 4.13Å; L143-V165 HydrophobicContact CD2-CG2 3.92Å; L143-V165 HydrophobicContact CG-CG2 4.25Å; L143-L175 HydrophobicContact CD2-CB 3.62Å; L143-L191 HydrophobicContact CB-CD1 4.05Å; L143-L191 HydrophobicContact CD2-CD1 4Å; L143-L191 HydrophobicContact CD2-CD2 3.94Å; L143-L191 HydrophobicContact CG-CD1 4.01Å; L143-L191 HydrophobicContact CG-CD2 4.1Å
144A95Very high92.2Very high0 Ų042.4 Ų42.40%020%0.201CC..Hα-helixtrans-59.6-35174.100000112.2I121 R140 Y147 R148 I186 L191I121-A144 HydrophobicContact CG2-CB 3.69Å; R140-A144 VanDerWaalsContact O-CB 3.29Å; R140-A144 WeakPolarHBondContact O-CB 3.27Å; R140-A144 PolarHBondContact O-N 3.08Å; A144-Y147 PolarHBondContact O-N 3.44Å; A144-R148 WeakPolarHBondContact O-CG 3.37Å; A144-R148 PolarHBondContact O-N 3.11Å; A144-I186 HydrophobicContact CB-CG2 4.11Å; A144-L191 HydrophobicContact CB-CD1 4.16Å
145S94.9Very high92.4Very high1 Ų133.4 Ų33.41%0.00717%0.167CC..Hα-helixtrans-65.3-37.7172.5-550000112.7C141 K142 L143 R148 L149C141-S145 WeakPolarHBondContact O-CB 3.4Å; C141-S145 PolarHBondContact O-N 2.85Å; C141-S145 PolarHBondContact O-OG 3.13Å; K142-S145 WeakPolarHBondContact O-CB 3.3Å; K142-S145 PolarHBondContact O-N 3.36Å; L143-S145 PolarHBondContact O-N 3.2Å; S145-R148 WeakPolarHBondContact O-CB 3.47Å; S145-R148 PolarHBondContact O-N 2.84Å; S145-L149 WeakPolarHBondContact O-CG 3.45Å; S145-L149 PolarHBondContact O-N 2.95Å
146V95.4Very high92.4Very high0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-62-42.8173.4165.90000111.6K142 L143 R148 L149 I150 V163 I232 I321 W325 F425K142-V146 PolarHBondContact O-N 3.4Å; L143-V146 WeakPolarHBondContact O-CB 3.41Å; L143-V146 PolarHBondContact O-N 3.39Å; V146-R148 VanDerWaalsContact C-N 3.28Å; V146-R148 PolarHBondContact O-N 3.33Å; V146-L149 PolarHBondContact O-N 3.07Å; V146-I150 HydrophobicContact CG1-CD1 3.83Å; V146-I150 HydrophobicContact CG1-CG1 4.31Å; V146-I150 WeakPolarHBondContact O-CG1 3.3Å; V146-I150 PolarHBondContact O-N 3.07Å; V146-V163 HydrophobicContact CG1-CG1 4.29Å; V146-V163 HydrophobicContact CG1-CG2 4.38Å; V146-I232 HydrophobicContact CG1-CD1 4.37Å; V146-I321 HydrophobicContact CG2-CG2 3.5Å; V146-I321 VanDerWaalsContact CG2-CG2 3.5Å; V146-W325 HydrophobicContact CG1-CE3 3.89Å; V146-W325 HydrophobicContact CG1-CZ3 4.05Å; V146-W325 HydrophobicContact CG2-CE3 4.3Å; V146-F425 HydrophobicContact CG2-CE2 3.82Å; V146-F425 HydrophobicContact CG2-CZ 4.33Å
147Y94.9Very high91.6Very high0 Ų029.6 Ų29.60%017%0.165CC..Hα-helixtrans-57-41.9172.9-73.5-78.2000111.7L143 A144 L149 I150 D151 V163 N177 Y183 I186 L191L143-Y147 HydrophobicContact CD1-CD2 4.12Å; L143-Y147 HydrophobicContact CD1-CE2 3.56Å; L143-Y147 HydrophobicContact CD2-CE2 4.46Å; L143-Y147 HydrophobicContact CG-CD2 4.24Å; L143-Y147 HydrophobicContact CG-CE2 3.76Å; L143-Y147 WeakPolarHBondContact O-CD2 3.05Å; L143-Y147 PolarHBondContact O-N 3.5Å; L143-Y147 VanDerWaalsContact O-N 3.14Å; A144-Y147 PolarHBondContact O-N 3.44Å; Y147-L149 PolarHBondContact O-N 3.1Å; Y147-I150 PolarHBondContact O-N 3.29Å; Y147-D151 PolarHBondContact O-N 2.79Å; Y147-D151 VanDerWaalsContact O-N 3.16Å; Y147-V163 HydrophobicContact CE1-CB 4.18Å; Y147-V163 HydrophobicContact CE1-CG2 3.98Å; Y147-V163 HydrophobicContact CE2-CB 4.11Å; Y147-V163 WeakPolarHBondContact OH-CA 3.49Å; Y147-V163 PolarHBondContact OH-N 3.03Å; Y147-V163 PolarHBondContact OH-O 3.18Å; Y147-N177 HydrophobicContact CE1-CB 3.84Å; Y147-N177 HydrophobicContact CE2-CB 4.29Å; Y147-N177 WeakPolarHBondContact OH-CB 3.15Å; Y147-N177 VanDerWaalsContact OH-CG 3.24Å; Y147-N177 PolarHBondContact OH-N 2.9Å; Y147-N177 PolarHBondContact OH-OD1 3.13Å; Y147-Y183 AromaticContact CD1-CD1 3.76Å; Y147-Y183 HydrophobicContact CD1-CD1 3.76Å; Y147-Y183 AromaticContact CD1-CD2 3.78Å; Y147-Y183 HydrophobicContact CD1-CD2 3.78Å; Y147-Y183 AromaticContact CD1-CE1 3.59Å; Y147-Y183 HydrophobicContact CD1-CE1 3.59Å; Y147-Y183 AromaticContact CD1-CE2 3.58Å; Y147-Y183 HydrophobicContact CD1-CE2 3.58Å; Y147-Y183 AromaticContact CD1-CG 3.84Å; Y147-Y183 HydrophobicContact CD1-CG 3.84Å; Y147-Y183 AromaticContact CD1-CZ 3.47Å; Y147-Y183 VanDerWaalsContact CD1-CZ 3.47Å; Y147-Y183 HydrophobicContact CE1-CD1 4.29Å; Y147-Y183 AromaticContact CE1-CE1 3.69Å; Y147-Y183 HydrophobicContact CE1-CE1 3.69Å; Y147-Y183 HydrophobicContact CE1-CE2 4.08Å; Y147-Y183 AromaticContact CE1-CZ 3.55Å; Y147-I186 HydrophobicContact CD1-CG1 4.27Å; Y147-I186 HydrophobicContact CD2-CG2 3.81Å; Y147-I186 HydrophobicContact CE2-CG2 4.47Å; Y147-I186 HydrophobicContact CG-CB 4.3Å; Y147-I186 HydrophobicContact CG-CG1 4.05Å; Y147-I186 HydrophobicContact CG-CG2 4.11Å; Y147-L191 HydrophobicContact CD2-CD2 4.44Å; Y147-L191 HydrophobicContact CE2-CD2 3.93Å
148R92.6Very high91.2Very high21 Ų2129.4 Ų29.48%0.07918%0.176CC..Hα-helixtrans-65.2-34.3174.1-57.6-39.8-174.6118.8-14.8113.5I121 A144 S145 V146 L152 Y183 H184 E185 I186 L432I121-R148 HydrophobicContact CD1-CB 4.33Å; I121-R148 HydrophobicContact CD1-CG 3.71Å; I121-R148 HydrophobicContact CG1-CG 3.76Å; A144-R148 WeakPolarHBondContact O-CG 3.37Å; A144-R148 PolarHBondContact O-N 3.11Å; S145-R148 WeakPolarHBondContact O-CB 3.47Å; S145-R148 PolarHBondContact O-N 2.84Å; V146-R148 VanDerWaalsContact C-N 3.28Å; V146-R148 PolarHBondContact O-N 3.33Å; R148-L152 VanDerWaalsContact O-CB 3.23Å; R148-L152 WeakPolarHBondContact O-CB 3.49Å; R148-L152 PolarHBondContact O-N 3.4Å; R148-Y183 VanDerWaalsContact CD-O 3.32Å; R148-Y183 WeakPolarHBondContact CD-O 3.39Å; R148-H184 VanDerWaalsContact NH1-C 3.34Å; R148-H184 PolarHBondContact NH1-O 2.96Å; R148-H184 PolarHBondContact NH2-O 2.94Å; R148-E185 PolarHBondContact NH2-O 2.8Å; R148-I186 VanDerWaalsContact CZ-O 3.26Å; R148-I186 PolarHBondContact NE-O 3.39Å; R148-I186 PolarHBondContact NH2-O 3.1Å; R148-L432 HydrophobicContact CB-CD1 4.2Å; R148-L432 HydrophobicContact CB-CD2 4.02Å
149L93.7Very high91.1Very high1 Ų129 Ų291%0.00517%0.169CC..Hα-helixtrans-68.2-44.5174.4-66179000111.6S145 V146 Y147 D151 L152 F153 W325 F425 M428 M429 L432S145-L149 WeakPolarHBondContact O-CG 3.45Å; S145-L149 PolarHBondContact O-N 2.95Å; V146-L149 PolarHBondContact O-N 3.07Å; Y147-L149 PolarHBondContact O-N 3.1Å; L149-D151 VanDerWaalsContact C-N 3.28Å; L149-D151 PolarHBondContact O-N 2.76Å; L149-L152 HydrophobicContact CD2-CD2 4.42Å; L149-L152 PolarHBondContact O-N 3.09Å; L149-F153 HydrophobicContact CB-CD2 4.29Å; L149-F153 HydrophobicContact CB-CE2 4.36Å; L149-F153 HydrophobicContact CD2-CE2 4.38Å; L149-F153 WeakPolarHBondContact O-CD2 3.49Å; L149-F153 PolarHBondContact O-N 3.12Å; L149-W325 HydrophobicContact CB-CH2 3.52Å; L149-W325 HydrophobicContact CB-CZ2 3.78Å; L149-W325 HydrophobicContact CB-CZ3 4.05Å; L149-W325 HydrophobicContact CD1-CD2 4.23Å; L149-W325 HydrophobicContact CD1-CH2 4.37Å; L149-W325 HydrophobicContact CD1-CZ2 3.96Å; L149-W325 HydrophobicContact CG-CZ2 4.47Å; L149-F425 HydrophobicContact CD1-CE2 4.5Å; L149-M428 HydrophobicContact CD1-CB 4.05Å; L149-M428 HydrophobicContact CD1-SD 4.15Å; L149-M428 HydrophobicContact CD2-CB 4.01Å; L149-M428 HydrophobicContact CD2-CG 4.49Å; L149-M429 HydrophobicContact CD1-CE 3.82Å; L149-M429 HydrophobicContact CG-CE 4.33Å; L149-L432 HydrophobicContact CD2-CD1 3.74Å; L149-L432 HydrophobicContact CD2-CD2 4.2Å; L149-L432 HydrophobicContact CD2-CG 3.85Å; L149-L432 HydrophobicContact CG-CD1 4.02Å
150I93.7Very high90.6Very high0 Ų034.9 Ų34.90%019%0.19CC..Hα-helixtrans-60.8-39179.3-62166.8000111.1V146 Y147 G154 W155 N156 V163 Y183 I232 L234 W325V146-I150 HydrophobicContact CG1-CD1 3.83Å; V146-I150 HydrophobicContact CG1-CG1 4.31Å; V146-I150 WeakPolarHBondContact O-CG1 3.3Å; V146-I150 PolarHBondContact O-N 3.07Å; Y147-I150 PolarHBondContact O-N 3.29Å; I150-G154 PolarHBondContact O-N 2.76Å; I150-W155 HydrophobicContact CG2-CB 3.87Å; I150-W155 PolarHBondContact O-N 3.48Å; I150-N156 HydrophobicContact CG2-CB 4.27Å; I150-V163 HydrophobicContact CD1-CG2 3.75Å; I150-Y183 HydrophobicContact CB-CD2 3.75Å; I150-Y183 HydrophobicContact CB-CE2 3.82Å; I150-Y183 HydrophobicContact CD1-CD2 4.48Å; I150-Y183 HydrophobicContact CD1-CE2 3.81Å; I150-Y183 HydrophobicContact CG1-CE2 4.42Å; I150-Y183 HydrophobicContact CG2-CD2 3.7Å; I150-Y183 HydrophobicContact CG2-CE2 3.54Å; I150-I232 HydrophobicContact CD1-CG2 3.97Å; I150-L234 HydrophobicContact CD1-CD2 4.03Å; I150-L234 HydrophobicContact CG1-CD2 4.2Å; I150-L234 HydrophobicContact CG2-CD2 3.91Å; I150-W325 HydrophobicContact CD1-CZ3 4.4Å; I150-W325 HydrophobicContact CG1-CH2 4.13Å; I150-W325 HydrophobicContact CG1-CZ3 3.62Å
151D91.9Very high90.2Very high41 Ų4135 Ų3522%0.21919%0.191CC..Hα-helixtrans-66.2-47173.6-162.697.5000111.6Y147 L149 F153 G154 N156 H184Y147-D151 PolarHBondContact O-N 2.79Å; Y147-D151 VanDerWaalsContact O-N 3.16Å; L149-D151 VanDerWaalsContact C-N 3.28Å; L149-D151 PolarHBondContact O-N 2.76Å; D151-F153 VanDerWaalsContact C-N 3.35Å; D151-F153 PolarHBondContact O-N 3.2Å; D151-G154 PolarHBondContact O-N 3.42Å; D151-N156 PolarHBondContact OD1-ND2 3.11Å; D151-H184 IonicContact OD1-CG 3.11Å; D151-H184 PolarHBondContact OD1-N 3.35Å; D151-H184 IonicContact OD1-ND1 2.59Å; D151-H184 PolarHBondContact OD1-ND1 2.82Å; D151-H184 IonicContact OD2-CG 3.9Å; D151-H184 IonicContact OD2-ND1 3.92Å
152L91.2Very high90Very high85 Ų8534.9 Ų34.945%0.44519%0.19SC..Hα-helixtrans-61.9-35.5178.2-179.466.9000113.8R148 L149 G154 L432R148-L152 VanDerWaalsContact O-CB 3.23Å; R148-L152 WeakPolarHBondContact O-CB 3.49Å; R148-L152 PolarHBondContact O-N 3.4Å; L149-L152 HydrophobicContact CD2-CD2 4.42Å; L149-L152 PolarHBondContact O-N 3.09Å; L152-G154 VanDerWaalsContact C-N 3.34Å; L152-L432 HydrophobicContact CD2-CD2 4.24Å
153F90.5Very high90Very high76 Ų7632.8 Ų32.833%0.33318%0.181SC..THydrogen-bonded Turntrans-85-3.8175.6-73.5-68.8000113.5L149 D151 W155 W325 M428L149-F153 HydrophobicContact CB-CD2 4.29Å; L149-F153 HydrophobicContact CB-CE2 4.36Å; L149-F153 HydrophobicContact CD2-CE2 4.38Å; L149-F153 WeakPolarHBondContact O-CD2 3.49Å; L149-F153 PolarHBondContact O-N 3.12Å; D151-F153 VanDerWaalsContact C-N 3.35Å; D151-F153 PolarHBondContact O-N 3.2Å; F153-W155 VanDerWaalsContact C-N 3.33Å; F153-W155 HydrophobicContact CB-CD2 3.76Å; F153-W155 HydrophobicContact CB-CE3 4.23Å; F153-W155 HydrophobicContact CB-CG 4.07Å; F153-W155 HydrophobicContact CB-CZ2 4.07Å; F153-W155 HydrophobicContact CD1-CZ2 4.44Å; F153-W155 HydrophobicContact CD2-CH2 4.46Å; F153-W155 HydrophobicContact CG-CH2 4.37Å; F153-W155 HydrophobicContact CG-CZ2 4.19Å; F153-W155 VanDerWaalsContact O-CD1 3.28Å; F153-W155 PolarHBondContact O-N 2.77Å; F153-W325 AromaticContact CD2-CH2 3.96Å; F153-W325 HydrophobicContact CD2-CH2 3.96Å; F153-W325 AromaticContact CD2-CZ2 3.73Å; F153-W325 HydrophobicContact CD2-CZ2 3.73Å; F153-W325 HydrophobicContact CE2-CH2 4.33Å; F153-W325 AromaticContact CE2-CZ2 3.66Å; F153-W325 HydrophobicContact CE2-CZ2 3.66Å; F153-M428 HydrophobicContact CE2-SD 4.01Å; F153-M428 HydrophobicContact CZ-SD 4.15Å
154G90.1Very high89.9Confident55 Ų5532.8 Ų32.857%0.56718%0.181SC*.THydrogen-bonded Turntrans68.727.2-18000000114.4I150 D151 L152I150-G154 PolarHBondContact O-N 2.76Å; D151-G154 PolarHBondContact O-N 3.42Å; L152-G154 VanDerWaalsContact C-N 3.34Å
155W90Very high89.9Confident27 Ų2732.9 Ų32.910%0.10218%0.181CC..  trans-94.86.7-179.7-60.5-15000113I150 F153 L234 T236 W325 T329 I332I150-W155 HydrophobicContact CG2-CB 3.87Å; I150-W155 PolarHBondContact O-N 3.48Å; F153-W155 VanDerWaalsContact C-N 3.33Å; F153-W155 HydrophobicContact CB-CD2 3.76Å; F153-W155 HydrophobicContact CB-CE3 4.23Å; F153-W155 HydrophobicContact CB-CG 4.07Å; F153-W155 HydrophobicContact CB-CZ2 4.07Å; F153-W155 HydrophobicContact CD1-CZ2 4.44Å; F153-W155 HydrophobicContact CD2-CH2 4.46Å; F153-W155 HydrophobicContact CG-CH2 4.37Å; F153-W155 HydrophobicContact CG-CZ2 4.19Å; F153-W155 VanDerWaalsContact O-CD1 3.28Å; F153-W155 PolarHBondContact O-N 2.77Å; W155-L234 HydrophobicContact CB-CD2 4.39Å; W155-L234 HydrophobicContact CE3-CD1 4.29Å; W155-T236 HydrophobicContact CB-CG2 3.84Å; W155-T236 HydrophobicContact CG-CG2 4.07Å; W155-W325 AromaticContact CE3-CH2 3.9Å; W155-W325 HydrophobicContact CE3-CH2 3.9Å; W155-W325 HydrophobicContact CE3-CZ3 4.5Å; W155-W325 HydrophobicContact CH2-CH2 4.37Å; W155-W325 HydrophobicContact CH2-CZ2 4.27Å; W155-W325 AromaticContact CZ3-CH2 3.44Å; W155-W325 HydrophobicContact CZ3-CH2 3.44Å; W155-W325 VanDerWaalsContact CZ3-CH2 3.44Å; W155-W325 AromaticContact CZ3-CZ2 3.73Å; W155-W325 HydrophobicContact CZ3-CZ2 3.73Å; W155-W325 HydrophobicContact CZ3-CZ3 4.15Å; W155-T329 HydrophobicContact CH2-CG2 3.84Å; W155-T329 HydrophobicContact CZ3-CG2 4.27Å; W155-I332 HydrophobicContact CD2-CD1 3.43Å; W155-I332 VanDerWaalsContact CD2-CD1 3.43Å; W155-I332 HydrophobicContact CE3-CD1 3.55Å; W155-I332 HydrophobicContact CG-CD1 3.91Å; W155-I332 HydrophobicContact CH2-CD1 4.15Å; W155-I332 HydrophobicContact CZ2-CB 4.4Å; W155-I332 HydrophobicContact CZ2-CD1 4.05Å; W155-I332 HydrophobicContact CZ2-CG2 4.17Å; W155-I332 HydrophobicContact CZ3-CD1 3.91Å
156N85.3Confident89.9Confident58 Ų5833.1 Ų33.131%0.3118%0.183SC..  trans-82.3115.1-179.851.7-17.1000111.9I150 D151 Y183I150-N156 HydrophobicContact CG2-CB 4.27Å; D151-N156 PolarHBondContact OD1-ND2 3.11Å; N156-Y183 HydrophobicContact CB-CD2 4.09Å; N156-Y183 HydrophobicContact CB-CG 4.4Å
157S74.9Confident89.7Confident56 Ų5633.8 Ų33.839%0.39219%0.187SC..  trans-9991.5172.4-165.20000110.6N161S157-N161 PolarHBondContact O-OD1 3.49Å
158S81.6Confident89.2Confident72 Ų7235.4 Ų35.450%0.50320%0.198SC..THydrogen-bonded Turntrans54.6-149.1179.7-167.20000112.9
159I87.9Confident88.4Confident46 Ų4640.5 Ų40.524%0.23622%0.218CC..THydrogen-bonded Turntrans-96.17.4-179.359.9167.2000114.1F179 L182I159-F179 HydrophobicContact CD1-CE2 3.97Å; I159-F179 HydrophobicContact CD1-CZ 3.97Å; I159-F179 HydrophobicContact CG1-CE2 4.19Å; I159-L182 HydrophobicContact CG2-CD2 3.85Å
160Y82.9Confident87.6Confident141 Ų14147.3 Ų47.355%0.55325%0.254SS*.THydrogen-bonded Turntrans-90.7-26.9-170.3-62.5-65.1000114.2F179Y160-F179 HydrophobicContact CD1-CE2 4.14Å; Y160-F179 HydrophobicContact CE1-CE2 4.34Å; Y160-F179 HydrophobicContact CE1-CZ 4.34Å
161N84.6Confident86.9Confident2 Ų253 Ų531%0.01128%0.28CS..  trans-72.7155.7179.9-61.212.5000111S157 N177 Y183 D235S157-N161 PolarHBondContact O-OD1 3.49Å; N161-N177 PolarHBondContact O-ND2 3.17Å; N161-Y183 VanDerWaalsContact CB-OH 3.22Å; N161-Y183 WeakPolarHBondContact CB-OH 3.4Å; N161-Y183 PolarHBondContact O-OH 2.76Å; N161-Y183 VanDerWaalsContact O-OH 3.1Å; N161-D235 PolarHBondContact OD1-OD2 3.45Å
162H88.5Confident86.6Confident7 Ų755.1 Ų55.13%0.03229%0.289CS..  trans-151.8160-179.162.8-32.9000112N177 Y183 T214 W215 H218 H233H162-N177 WeakPolarHBondContact CA-OD1 3.4Å; H162-N177 WeakPolarHBondContact CB-OD1 3.3Å; H162-Y183 PolarHBondContact N-OH 3.33Å; H162-T214 WeakPolarHBondContact CE1-CG2 3.49Å; H162-T214 PolarHBondContact NE2-O 3.09Å; H162-W215 PolarHBondContact NE2-N 3.47Å; H162-H218 AromaticContact CD2-CE1 3.89Å; H162-H218 AromaticContact CD2-ND1 3.8Å; H162-H218 AromaticContact CE1-CD2 3.08Å; H162-H218 PolarHBondContact CE1-CD2 3.21Å; H162-H218 AromaticContact CE1-CE1 3.51Å; H162-H218 AromaticContact CE1-CG 3.93Å; H162-H218 AromaticContact CE1-NE2 2.76Å; H162-H218 PolarHBondContact CE1-NE2 3.36Å; H162-H218 AromaticContact ND1-CE1 3.83Å; H162-H218 AromaticContact ND1-NE2 3.81Å; H162-H218 VanDerWaalsContact NE2-CB 3.26Å; H162-H218 WeakPolarHBondContact NE2-CB 3.26Å; H162-H218 AromaticContact NE2-CD2 2.82Å; H162-H218 PolarHBondContact NE2-CD2 2.92Å; H162-H218 AromaticContact NE2-CE1 3.63Å; H162-H218 AromaticContact NE2-CG 2.83Å; H162-H218 AromaticContact NE2-ND1 3.39Å; H162-H218 PolarHBondContact NE2-ND1 3.2Å; H162-H218 AromaticContact NE2-NE2 3.36Å; H162-H218 PolarHBondContact NE2-NE2 3Å; H162-H233 AromaticContact CE1-CG 3.6Å; H162-H233 AromaticContact CE1-ND1 3.73Å; H162-H233 WeakPolarHBondContact O-CB 3.33Å; H162-H233 PolarHBondContact O-N 2.85Å
163V94.5Very high86.7Confident0 Ų053.6 Ų53.60%028%0.279CS..EExtended strand (participates in β ladder)trans-135.2123.9178.1-175.10000107.7L143 V146 Y147 I150 I231 I232L143-V163 HydrophobicContact CD1-CB 3.79Å; L143-V163 HydrophobicContact CD1-CG1 3.48Å; L143-V163 VanDerWaalsContact CD1-CG1 3.48Å; V146-V163 HydrophobicContact CG1-CG1 4.29Å; V146-V163 HydrophobicContact CG1-CG2 4.38Å; Y147-V163 HydrophobicContact CE1-CB 4.18Å; Y147-V163 HydrophobicContact CE1-CG2 3.98Å; Y147-V163 HydrophobicContact CE2-CB 4.11Å; Y147-V163 WeakPolarHBondContact OH-CA 3.49Å; Y147-V163 PolarHBondContact OH-N 3.03Å; Y147-V163 PolarHBondContact OH-O 3.18Å; I150-V163 HydrophobicContact CD1-CG2 3.75Å; V163-I231 CarbonylContact C-O 3.59Å; V163-I231 WeakPolarHBondContact CA-O 3.47Å; V163-I231 WeakPolarHBondContact CG1-O 3.34Å; V163-I232 HydrophobicContact CG1-CB 4.39Å; V163-I232 HydrophobicContact CG1-CG1 3.96Å; V163-I232 HydrophobicContact CG1-CG2 4.44Å; V163-I232 HydrophobicContact CG2-CB 4.49Å; V163-I232 HydrophobicContact CG2-CG2 3.79Å
164T94.7Very high86.9Confident0 Ų050.4 Ų50.40%027%0.265CS..EExtended strand (participates in β ladder)trans-116.4140.4-174.666.70000112.3L175 V176 W215 H218 H222 C230 I231T164-L175 VanDerWaalsContact CA-O 3.29Å; T164-L175 WeakPolarHBondContact CA-O 3.46Å; T164-V176 HydrophobicContact CG2-CB 4.5Å; T164-V176 HydrophobicContact CG2-CG1 4.08Å; T164-V176 HydrophobicContact CG2-CG2 4.01Å; T164-W215 HydrophobicContact CG2-CE3 4.14Å; T164-W215 HydrophobicContact CG2-CZ3 3.85Å; T164-H218 HydrophobicContact CG2-CB 4.04Å; T164-H218 VanDerWaalsContact CG2-ND1 3.29Å; T164-H218 WeakPolarHBondContact CG2-ND1 3.04Å; T164-H218 PolarHBondContact OG1-ND1 2.82Å; T164-H222 WeakPolarHBondContact CB-NE2 3.48Å; T164-H222 PolarHBondContact O-NE2 2.9Å; T164-H222 PolarHBondContact OG1-NE2 3.02Å; T164-C230 WeakPolarHBondContact O-CA 3.15Å; T164-I231 PolarHBondContact N-O 3.2Å; T164-I231 PolarHBondContact O-N 2.92Å
165V95.3Very high87.1Confident2 Ų247.8 Ų47.81%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-132.3121-178.5175.40000112L139 L143 V167 Y174 L175 R229 C230 I321L139-V165 HydrophobicContact CB-CG1 4.49Å; L139-V165 HydrophobicContact CD2-CG1 4.16Å; L143-V165 HydrophobicContact CB-CG2 4.29Å; L143-V165 HydrophobicContact CD1-CG2 3.88Å; L143-V165 HydrophobicContact CD2-CB 4.13Å; L143-V165 HydrophobicContact CD2-CG2 3.92Å; L143-V165 HydrophobicContact CG-CG2 4.25Å; V165-V167 PolarHBondContact O-N 3.29Å; V165-Y174 CarbonylContact O-C 3.56Å; V165-Y174 VanDerWaalsContact O-CA 3.29Å; V165-Y174 WeakPolarHBondContact O-CA 3.48Å; V165-L175 PolarHBondContact N-O 2.94Å; V165-L175 VanDerWaalsContact N-O 3.08Å; V165-L175 PolarHBondContact O-N 3.01Å; V165-R229 CarbonylContact C-O 3.4Å; V165-R229 VanDerWaalsContact CA-O 3.26Å; V165-R229 WeakPolarHBondContact CA-O 3.43Å; V165-C230 HydrophobicContact CG2-CB 4.22Å; V165-I321 HydrophobicContact CG1-CD1 4.22Å; V165-I321 HydrophobicContact CG1-CG1 4.42Å; V165-I321 HydrophobicContact CG2-CD1 4Å; V165-I321 HydrophobicContact CG2-CG1 3.95Å
166C94.2Very high87.3Confident5 Ų546.6 Ų46.63%0.03423%0.234CC..EExtended strand (participates in β ladder)trans-70.4111.1173.8-179.10000111Y174 R229C166-Y174 HydrophobicContact CB-CD1 3.74Å; C166-Y174 HydrophobicContact CB-CE1 3.72Å; C166-R229 PolarHBondContact N-O 3.23Å; C166-R229 PolarHBondContact O-NE 2.9Å; C166-R229 PolarHBondContact O-NH2 3.12Å
167V91.4Very high87.7Confident14 Ų1444.4 Ų44.49%0.08522%0.222CC..EExtended strand (participates in β ladder)trans-74.7-47.2178.4-177.10000111.1E136 L139 V165 H173 L175E136-V167 HydrophobicContact CB-CG1 4.02Å; E136-V167 HydrophobicContact CG-CG1 3.93Å; E136-V167 HydrophobicContact CG-CG2 4.5Å; L139-V167 HydrophobicContact CD1-CG1 4.42Å; V165-V167 PolarHBondContact O-N 3.29Å; V167-H173 HydrophobicContact CB-CB 4.45Å; V167-H173 PolarHBondContact N-O 3.37Å; V167-L175 HydrophobicContact CG2-CD1 3.59Å; V167-L175 HydrophobicContact CG2-CD2 4.47Å; V167-L175 HydrophobicContact CG2-CG 3.54Å
168S84.2Confident88.5Confident35 Ų3541.7 Ų41.725%0.24520%0.203CC..EExtended strand (participates in β ladder)trans-138117.5-178.8-174.60000110.7N170 H171 E172S168-N170 PolarHBondContact O-N 2.94Å; S168-H171 PolarHBondContact O-N 3.17Å; S168-E172 PolarHBondContact O-N 3.03Å
169R76.2Confident89Confident128 Ų12842 Ų4248%0.48320%0.195SC..THydrogen-bonded Turntrans-61.8-30.3174.5-73.6-177.8173.2157.2-0.9112.4H171 A226 D227R169-H171 VanDerWaalsContact C-N 3.29Å; R169-H171 PolarHBondContact O-N 3.23Å; R169-A226 PolarHBondContact NE-O 3.1Å; R169-A226 PolarHBondContact NH2-O 2.92Å; R169-D227 PolarHBondContact NH2-O 2.92Å
170N76.8Confident89Confident144 Ų14441.6 Ų41.677%0.7720%0.203SC*.THydrogen-bonded Turntrans-78.2-10.6-175.2-61.430.9000114.1S168S168-N170 PolarHBondContact O-N 2.94Å
171H77.6Confident89.4Confident118 Ų11836.6 Ų36.655%0.54619%0.186SC..THydrogen-bonded Turntrans-132.12.7-175.5-57.3-40.1000112.8S168 R169 H173S168-H171 PolarHBondContact O-N 3.17Å; R169-H171 VanDerWaalsContact C-N 3.29Å; R169-H171 PolarHBondContact O-N 3.23Å; H171-H173 PolarHBondContact O-CD2 2.86Å; H171-H173 PolarHBondContact O-N 3.49Å; H171-H173 VanDerWaalsContact O-N 3.11Å
172E86.2Confident89.7Confident86 Ų8639.8 Ų39.840%0.40220%0.203SC..THydrogen-bonded Turntrans47.941.7-176.6-61.4-177.4-155.800112.8S168 Y174 S196S168-E172 PolarHBondContact O-N 3.03Å; E172-Y174 VanDerWaalsContact C-CE2 3.45Å; E172-Y174 HydrophobicContact CB-CE2 3.89Å; E172-Y174 WeakPolarHBondContact O-CD2 3.26Å; E172-Y174 WeakPolarHBondContact O-CE2 3.34Å; E172-S196 PolarHBondContact O-N 2.92Å; E172-S196 WeakPolarHBondContact OE2-CB 3.44Å; E172-S196 PolarHBondContact OE2-OG 3.03Å
173H92.4Very high89.9Confident54 Ų5439.6 Ų39.625%0.2520%0.202CC..EExtended strand (participates in β ladder)trans-90.8123.7175.7-68.3176.8000110.1V167 H171 K193 L201V167-H173 HydrophobicContact CB-CB 4.45Å; V167-H173 PolarHBondContact N-O 3.37Å; H171-H173 PolarHBondContact O-CD2 2.86Å; H171-H173 PolarHBondContact O-N 3.49Å; H171-H173 VanDerWaalsContact O-N 3.11Å; H173-K193 HydrophobicContact CB-CD 4.48Å; H173-K193 HydrophobicContact CB-CG 4.49Å; H173-L201 WeakPolarHBondContact CD2-CD1 3.34Å; H173-L201 WeakPolarHBondContact NE2-CD1 3.4Å
174Y94.7Very high89.7Confident9 Ų943.5 Ų43.54%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-120.9151.8-178.9-51.7-89.3000111.6V165 C166 E172 K193 V194 W215 H222V165-Y174 CarbonylContact O-C 3.56Å; V165-Y174 VanDerWaalsContact O-CA 3.29Å; V165-Y174 WeakPolarHBondContact O-CA 3.48Å; C166-Y174 HydrophobicContact CB-CD1 3.74Å; C166-Y174 HydrophobicContact CB-CE1 3.72Å; E172-Y174 VanDerWaalsContact C-CE2 3.45Å; E172-Y174 HydrophobicContact CB-CE2 3.89Å; E172-Y174 WeakPolarHBondContact O-CD2 3.26Å; E172-Y174 WeakPolarHBondContact O-CE2 3.34Å; Y174-K193 CarbonylContact O-C 3.55Å; Y174-K193 VanDerWaalsContact O-CA 3.28Å; Y174-K193 WeakPolarHBondContact O-CA 3.43Å; Y174-V194 PolarHBondContact N-O 2.86Å; Y174-V194 PolarHBondContact O-N 3.45Å; Y174-W215 HydrophobicContact CD1-CH2 4.42Å; Y174-W215 AromaticContact CD2-CH2 3.48Å; Y174-W215 HydrophobicContact CD2-CH2 3.48Å; Y174-W215 VanDerWaalsContact CD2-CH2 3.48Å; Y174-W215 AromaticContact CD2-CZ2 3.96Å; Y174-W215 HydrophobicContact CD2-CZ2 3.96Å; Y174-W215 HydrophobicContact CE2-CH2 4.24Å; Y174-W215 HydrophobicContact CE2-CZ2 4.47Å; Y174-W215 AromaticContact CG-CH2 3.59Å; Y174-W215 HydrophobicContact CG-CH2 3.59Å; Y174-W215 HydrophobicContact CG-CZ2 4.49Å; Y174-W215 HydrophobicContact CG-CZ3 4.39Å; Y174-H222 AromaticContact CD1-CD2 3.72Å; Y174-H222 AromaticContact CD1-CG 3.93Å; Y174-H222 HydrophobicContact CE1-CB 3.59Å; Y174-H222 AromaticContact CE1-CD2 3.63Å; Y174-H222 AromaticContact CE1-CG 3.36Å; Y174-H222 AromaticContact CE1-ND1 3.66Å
175L94.6Very high89.5Confident0 Ų047.2 Ų47.20%024%0.237CC..EExtended strand (participates in β ladder)trans-102.8139.7168.9-69.6163.2000110.1L139 R140 L143 T164 V165 V167 L191 I192 K193L139-L175 HydrophobicContact CB-CD1 4.34Å; R140-L175 HydrophobicContact CG-CD1 3.6Å; R140-L175 HydrophobicContact CG-CD2 4.03Å; R140-L175 HydrophobicContact CG-CG 4.49Å; L143-L175 HydrophobicContact CD2-CB 3.62Å; T164-L175 VanDerWaalsContact CA-O 3.29Å; T164-L175 WeakPolarHBondContact CA-O 3.46Å; V165-L175 PolarHBondContact N-O 2.94Å; V165-L175 VanDerWaalsContact N-O 3.08Å; V165-L175 PolarHBondContact O-N 3.01Å; V167-L175 HydrophobicContact CG2-CD1 3.59Å; V167-L175 HydrophobicContact CG2-CD2 4.47Å; V167-L175 HydrophobicContact CG2-CG 3.54Å; L175-L191 HydrophobicContact CD2-CB 4.36Å; L175-I192 CarbonylContact C-O 3.59Å; L175-I192 WeakPolarHBondContact CA-O 3.49Å; L175-K193 HydrophobicContact CD2-CB 4.12Å
176V93.9Very high89.4Confident2 Ų247.1 Ų47.11%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-140.7156.8-176.6-163.40000109.6T164 L191 I192 V194 V210 W215T164-V176 HydrophobicContact CG2-CB 4.5Å; T164-V176 HydrophobicContact CG2-CG1 4.08Å; T164-V176 HydrophobicContact CG2-CG2 4.01Å; V176-L191 WeakPolarHBondContact O-CD2 3.41Å; V176-I192 PolarHBondContact N-O 3.17Å; V176-I192 PolarHBondContact O-N 3.41Å; V176-V194 HydrophobicContact CB-CG2 4.22Å; V176-V194 HydrophobicContact CG2-CB 4.26Å; V176-V194 HydrophobicContact CG2-CG2 3.59Å; V176-V210 HydrophobicContact CG1-CG1 4.09Å; V176-W215 HydrophobicContact CG2-CE3 3.69Å; V176-W215 HydrophobicContact CG2-CZ3 3.57Å
177N93.7Very high89.3Confident11 Ų1147.4 Ų47.46%0.05924%0.238CC..PPolyproline II helixtrans-68.5145.4166.752.2-31.8000111.9Y147 N161 H162 I186Y147-N177 HydrophobicContact CE1-CB 3.84Å; Y147-N177 HydrophobicContact CE2-CB 4.29Å; Y147-N177 WeakPolarHBondContact OH-CB 3.15Å; Y147-N177 VanDerWaalsContact OH-CG 3.24Å; Y147-N177 PolarHBondContact OH-N 2.9Å; Y147-N177 PolarHBondContact OH-OD1 3.13Å; N161-N177 PolarHBondContact O-ND2 3.17Å; H162-N177 WeakPolarHBondContact CA-OD1 3.4Å; H162-N177 WeakPolarHBondContact CB-OD1 3.3Å; N177-I186 HydrophobicContact CB-CD1 4.06Å
178P92.9Very high89.4Confident0 Ų046.8 Ų46.80%023%0.234CC..PPolyproline II helixtrans-64.8134.1162.928.6-34.2000110G180 L181 I186 S190 I192 T206 L208P178-G180 PolarHBondContact O-N 2.86Å; P178-L181 HydrophobicContact CG-CB 4.31Å; P178-L181 HydrophobicContact CG-CD1 3.6Å; P178-L181 HydrophobicContact CG-CG 3.87Å; P178-I186 HydrophobicContact CG-CD1 4.26Å; P178-S190 VanDerWaalsContact CD-O 3.26Å; P178-S190 WeakPolarHBondContact CD-O 3.49Å; P178-S190 WeakPolarHBondContact CG-O 3.49Å; P178-I192 HydrophobicContact CB-CD1 3.84Å; P178-I192 HydrophobicContact CB-CG1 4.17Å; P178-T206 HydrophobicContact CB-CG2 4.37Å; P178-T206 HydrophobicContact CG-CG2 4.17Å; P178-L208 HydrophobicContact CB-CB 3.71Å; P178-L208 HydrophobicContact CB-CD1 3.94Å; P178-L208 HydrophobicContact CB-CG 4.46Å
179F91.5Very high89.8Confident77 Ų7745.9 Ų45.934%0.33823%0.228SC..THydrogen-bonded Turntrans-71.8127.7176.6179.9-113.8000110.5I159 Y160 G209 N211I159-F179 HydrophobicContact CD1-CE2 3.97Å; I159-F179 HydrophobicContact CD1-CZ 3.97Å; I159-F179 HydrophobicContact CG1-CE2 4.19Å; Y160-F179 HydrophobicContact CD1-CE2 4.14Å; Y160-F179 HydrophobicContact CE1-CE2 4.34Å; Y160-F179 HydrophobicContact CE1-CZ 4.34Å; F179-G209 WeakPolarHBondContact CB-O 3.37Å; F179-G209 PolarHBondContact N-O 2.68Å; F179-N211 HydrophobicContact CB-CB 4.38Å; F179-N211 HydrophobicContact CD2-CB 3.94Å; F179-N211 HydrophobicContact CG-CB 4.2Å
180G88Confident90.6Very high39 Ų3940 Ų4040%0.40221%0.207SC..THydrogen-bonded Turntrans105.1-5.3179.500000115.9P178P178-G180 PolarHBondContact O-N 2.86Å
181L90.8Very high91.4Very high36 Ų3633.2 Ų33.219%0.18817%0.17CC..  trans-90.3146.3166.8-65.7-167000111.7P178 E185 I186 T206 L208P178-L181 HydrophobicContact CG-CB 4.31Å; P178-L181 HydrophobicContact CG-CD1 3.6Å; P178-L181 HydrophobicContact CG-CG 3.87Å; L181-E185 HydrophobicContact CB-CB 4.36Å; L181-I186 HydrophobicContact CB-CD1 3.83Å; L181-I186 HydrophobicContact CD1-CD1 4.21Å; L181-T206 HydrophobicContact CD1-CG2 4.31Å; L181-L208 HydrophobicContact CD2-CD1 3.79Å; L181-L208 HydrophobicContact CG-CD1 3.73Å
182L91.5Very high92.2Very high69 Ų6927.6 Ų27.636%0.36114%0.144SC..  trans-79157.2168.8-65.8168.7000110.9I159 H184 E185 I186I159-L182 HydrophobicContact CG2-CD2 3.85Å; L182-H184 VanDerWaalsContact C-N 3.31Å; L182-H184 PolarHBondContact O-N 2.88Å; L182-E185 HydrophobicContact CB-CG 4.18Å; L182-E185 PolarHBondContact N-OE2 3.07Å; L182-E185 WeakPolarHBondContact O-CA 3.17Å; L182-E185 WeakPolarHBondContact O-CB 3.23Å; L182-E185 PolarHBondContact O-N 2.87Å; L182-I186 PolarHBondContact O-N 2.85Å
183Y92.2Very high92.5Very high3 Ų324.9 Ų24.91%0.01213%0.131CC..THydrogen-bonded Turntrans-65.6-31.9-172-83.124.8000113.3Y147 R148 I150 N156 N161 H162 E185 I186Y147-Y183 AromaticContact CD1-CD1 3.76Å; Y147-Y183 HydrophobicContact CD1-CD1 3.76Å; Y147-Y183 AromaticContact CD1-CD2 3.78Å; Y147-Y183 HydrophobicContact CD1-CD2 3.78Å; Y147-Y183 AromaticContact CD1-CE1 3.59Å; Y147-Y183 HydrophobicContact CD1-CE1 3.59Å; Y147-Y183 AromaticContact CD1-CE2 3.58Å; Y147-Y183 HydrophobicContact CD1-CE2 3.58Å; Y147-Y183 AromaticContact CD1-CG 3.84Å; Y147-Y183 HydrophobicContact CD1-CG 3.84Å; Y147-Y183 AromaticContact CD1-CZ 3.47Å; Y147-Y183 VanDerWaalsContact CD1-CZ 3.47Å; Y147-Y183 HydrophobicContact CE1-CD1 4.29Å; Y147-Y183 AromaticContact CE1-CE1 3.69Å; Y147-Y183 HydrophobicContact CE1-CE1 3.69Å; Y147-Y183 HydrophobicContact CE1-CE2 4.08Å; Y147-Y183 AromaticContact CE1-CZ 3.55Å; R148-Y183 VanDerWaalsContact CD-O 3.32Å; R148-Y183 WeakPolarHBondContact CD-O 3.39Å; I150-Y183 HydrophobicContact CB-CD2 3.75Å; I150-Y183 HydrophobicContact CB-CE2 3.82Å; I150-Y183 HydrophobicContact CD1-CD2 4.48Å; I150-Y183 HydrophobicContact CD1-CE2 3.81Å; I150-Y183 HydrophobicContact CG1-CE2 4.42Å; I150-Y183 HydrophobicContact CG2-CD2 3.7Å; I150-Y183 HydrophobicContact CG2-CE2 3.54Å; N156-Y183 HydrophobicContact CB-CD2 4.09Å; N156-Y183 HydrophobicContact CB-CG 4.4Å; N161-Y183 VanDerWaalsContact CB-OH 3.22Å; N161-Y183 WeakPolarHBondContact CB-OH 3.4Å; N161-Y183 PolarHBondContact O-OH 2.76Å; N161-Y183 VanDerWaalsContact O-OH 3.1Å; H162-Y183 PolarHBondContact N-OH 3.33Å; Y183-E185 PolarHBondContact O-N 2.77Å; Y183-I186 PolarHBondContact O-N 2.86Å
184H90.2Very high92.5Very high82 Ų8222.3 Ų22.338%0.3812%0.119SC..THydrogen-bonded Turntrans-77.35.1169.359.4-97.5000115.4R148 D151 L182R148-H184 VanDerWaalsContact NH1-C 3.34Å; R148-H184 PolarHBondContact NH1-O 2.96Å; R148-H184 PolarHBondContact NH2-O 2.94Å; D151-H184 IonicContact OD1-CG 3.11Å; D151-H184 PolarHBondContact OD1-N 3.35Å; D151-H184 IonicContact OD1-ND1 2.59Å; D151-H184 PolarHBondContact OD1-ND1 2.82Å; D151-H184 IonicContact OD2-CG 3.9Å; D151-H184 IonicContact OD2-ND1 3.92Å; L182-H184 VanDerWaalsContact C-N 3.31Å; L182-H184 PolarHBondContact O-N 2.88Å
185E91Very high92.4Very high78 Ų7823.6 Ų23.636%0.36413%0.127SC..THydrogen-bonded Turntrans-101.2-26.7170.4-58.9-179.2119.700111.6R148 L181 L182 Y183 T187R148-E185 PolarHBondContact NH2-O 2.8Å; L181-E185 HydrophobicContact CB-CB 4.36Å; L182-E185 HydrophobicContact CB-CG 4.18Å; L182-E185 PolarHBondContact N-OE2 3.07Å; L182-E185 WeakPolarHBondContact O-CA 3.17Å; L182-E185 WeakPolarHBondContact O-CB 3.23Å; L182-E185 PolarHBondContact O-N 2.87Å; Y183-E185 PolarHBondContact O-N 2.77Å; E185-T187 PolarHBondContact O-N 3.38Å
186I93.3Very high92Very high0 Ų024.5 Ų24.50%013%0.133CC..  trans-56.6132.4-177.4-53.2-60.3000112.4A144 Y147 R148 N177 P178 L181 L182 Y183 L191A144-I186 HydrophobicContact CB-CG2 4.11Å; Y147-I186 HydrophobicContact CD1-CG1 4.27Å; Y147-I186 HydrophobicContact CD2-CG2 3.81Å; Y147-I186 HydrophobicContact CE2-CG2 4.47Å; Y147-I186 HydrophobicContact CG-CB 4.3Å; Y147-I186 HydrophobicContact CG-CG1 4.05Å; Y147-I186 HydrophobicContact CG-CG2 4.11Å; R148-I186 VanDerWaalsContact CZ-O 3.26Å; R148-I186 PolarHBondContact NE-O 3.39Å; R148-I186 PolarHBondContact NH2-O 3.1Å; N177-I186 HydrophobicContact CB-CD1 4.06Å; P178-I186 HydrophobicContact CG-CD1 4.26Å; L181-I186 HydrophobicContact CB-CD1 3.83Å; L181-I186 HydrophobicContact CD1-CD1 4.21Å; L182-I186 PolarHBondContact O-N 2.85Å; Y183-I186 PolarHBondContact O-N 2.86Å; I186-L191 HydrophobicContact CG2-CD2 4.04Å; I186-L191 HydrophobicContact CG2-CG 4.37Å
187T93.4Very high91.5Very high11 Ų1132.8 Ų32.87%0.06717%0.169CC..  trans-127.7176.5173.770.50000111.2I119 D123 E185 S189 S190I119-T187 HydrophobicContact CG2-CG2 3.58Å; D123-T187 WeakPolarHBondContact OD2-CB 3.17Å; D123-T187 PolarHBondContact OD2-OG1 3.46Å; E185-T187 PolarHBondContact O-N 3.38Å; T187-S189 VanDerWaalsContact C-N 3.33Å; T187-S189 PolarHBondContact OG1-N 3.21Å; T187-S189 PolarHBondContact OG1-OG 3.26Å; T187-S190 PolarHBondContact N-OG 3.22Å; T187-S190 PolarHBondContact O-N 3.14Å; T187-S190 PolarHBondContact O-OG 3.48Å; T187-S190 PolarHBondContact OG1-N 3.05Å
188A92.8Very high91.1Very high0 Ų033 Ų330%017%0.174CC..SBendtrans-68.2-30.717600000112.8I121 D123 L124 R140I121-A188 VanDerWaalsContact O-CB 3.24Å; I121-A188 WeakPolarHBondContact O-CB 3.48Å; I121-A188 PolarHBondContact O-N 3.25Å; D123-A188 PolarHBondContact OD1-N 3.27Å; L124-A188 HydrophobicContact CD1-CB 3.65Å; L124-A188 HydrophobicContact CG-CB 3.92Å; R140-A188 HydrophobicContact CB-CB 4.04Å; R140-A188 WeakPolarHBondContact CD-O 3.29Å
189S91.6Very high90.9Very high17 Ų1739.2 Ų39.212%0.11920%0.203CC..SBendtrans-76.8-30.117379.40000113.7D123 T187 L191 G204 S205D123-S189 PolarHBondContact OD1-N 3.27Å; D123-S189 WeakPolarHBondContact OD2-CB 3.39Å; D123-S189 PolarHBondContact OD2-OG 2.99Å; T187-S189 VanDerWaalsContact C-N 3.33Å; T187-S189 PolarHBondContact OG1-N 3.21Å; T187-S189 PolarHBondContact OG1-OG 3.26Å; S189-L191 VanDerWaalsContact C-N 3.25Å; S189-L191 PolarHBondContact O-N 3.43Å; S189-G204 CarbonylContact O-C 3.53Å; S189-G204 VanDerWaalsContact O-CA 3.3Å; S189-G204 WeakPolarHBondContact O-CA 3.34Å; S189-S205 VanDerWaalsContact C-OG 3.27Å; S189-S205 PolarHBondContact O-N 2.88Å; S189-S205 PolarHBondContact O-OG 3.24Å; S189-S205 VanDerWaalsContact OG-CB 3.32Å; S189-S205 WeakPolarHBondContact OG-CB 3.31Å; S189-S205 PolarHBondContact OG-OG 3.32Å
190S92.7Very high90.9Very high5 Ų539.2 Ų39.24%0.03521%0.205CC..SBendtrans-75.4-10.8-174.3820000114.3P178 T187 S205P178-S190 VanDerWaalsContact CD-O 3.26Å; P178-S190 WeakPolarHBondContact CD-O 3.49Å; P178-S190 WeakPolarHBondContact CG-O 3.49Å; T187-S190 PolarHBondContact N-OG 3.22Å; T187-S190 PolarHBondContact O-N 3.14Å; T187-S190 PolarHBondContact O-OG 3.48Å; T187-S190 PolarHBondContact OG1-N 3.05Å; S190-S205 WeakPolarHBondContact CA-OG 3.5Å; S190-S205 PolarHBondContact N-OG 3.32Å
191L94.2Very high91Very high0 Ų041.3 Ų41.30%021%0.207CC..PPolyproline II helixtrans-73.7129.8-179.2-70.6166.6000111.9R140 L143 A144 Y147 L175 V176 I186 S189R140-L191 HydrophobicContact CB-CD1 4.04Å; R140-L191 HydrophobicContact CG-CD1 4.26Å; R140-L191 PolarHBondContact NH1-O 3.2Å; R140-L191 VanDerWaalsContact O-CD1 3.28Å; R140-L191 WeakPolarHBondContact O-CD1 3.39Å; L143-L191 HydrophobicContact CB-CD1 4.05Å; L143-L191 HydrophobicContact CD2-CD1 4Å; L143-L191 HydrophobicContact CD2-CD2 3.94Å; L143-L191 HydrophobicContact CG-CD1 4.01Å; L143-L191 HydrophobicContact CG-CD2 4.1Å; A144-L191 HydrophobicContact CB-CD1 4.16Å; Y147-L191 HydrophobicContact CD2-CD2 4.44Å; Y147-L191 HydrophobicContact CE2-CD2 3.93Å; L175-L191 HydrophobicContact CD2-CB 4.36Å; V176-L191 WeakPolarHBondContact O-CD2 3.41Å; I186-L191 HydrophobicContact CG2-CD2 4.04Å; I186-L191 HydrophobicContact CG2-CG 4.37Å; S189-L191 VanDerWaalsContact C-N 3.25Å; S189-L191 PolarHBondContact O-N 3.43Å
192I93.8Very high91Very high0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-85.1138.3178.6-57.6-176.8000109.3L175 V176 P178 V194 I200 L208 V210L175-I192 CarbonylContact C-O 3.59Å; L175-I192 WeakPolarHBondContact CA-O 3.49Å; V176-I192 PolarHBondContact N-O 3.17Å; V176-I192 PolarHBondContact O-N 3.41Å; P178-I192 HydrophobicContact CB-CD1 3.84Å; P178-I192 HydrophobicContact CB-CG1 4.17Å; I192-V194 HydrophobicContact CB-CG2 4.49Å; I192-V194 HydrophobicContact CG2-CG2 3.84Å; I192-I200 HydrophobicContact CG2-CB 4.36Å; I192-I200 HydrophobicContact CG2-CD1 4.26Å; I192-I200 HydrophobicContact CG2-CG1 3.97Å; I192-I200 HydrophobicContact CG2-CG2 3.7Å; I192-L208 VanDerWaalsContact CD1-O 3.26Å; I192-L208 WeakPolarHBondContact CD1-O 3.45Å; I192-V210 HydrophobicContact CB-CG2 4.26Å; I192-V210 HydrophobicContact CD1-CG2 3.87Å; I192-V210 HydrophobicContact CG2-CG2 3.86Å
193K93.7Very high90.8Very high29 Ų2940.6 Ų40.613%0.12621%0.207CC..EExtended strand (participates in β ladder)trans-98.5130.5168.8-171.5162.655.3-159.70110.5E136 H173 Y174 L175 L201 D202E136-K193 IonicContact OE1-NZ 2.72Å; E136-K193 PolarHBondContact OE1-NZ 2.91Å; E136-K193 IonicContact OE2-NZ 3.48Å; E136-K193 PolarHBondContact OE2-NZ 3.39Å; H173-K193 HydrophobicContact CB-CD 4.48Å; H173-K193 HydrophobicContact CB-CG 4.49Å; Y174-K193 CarbonylContact O-C 3.55Å; Y174-K193 VanDerWaalsContact O-CA 3.28Å; Y174-K193 WeakPolarHBondContact O-CA 3.43Å; L175-K193 HydrophobicContact CD2-CB 4.12Å; K193-L201 HydrophobicContact CG-CB 4.44Å; K193-L201 PolarHBondContact O-N 2.99Å; K193-D202 HydrophobicContact CB-CB 4.01Å; K193-D202 PolarHBondContact N-O 2.89Å; K193-D202 PolarHBondContact O-N 3.36Å
194V93.1Very high90.5Very high0 Ų041.4 Ų41.40%022%0.217CC..EExtended strand (participates in β ladder)trans-131.5142.1-168.2-162.60000109.8Y174 V176 I192 G198 Q199 V210 W215Y174-V194 PolarHBondContact N-O 2.86Å; Y174-V194 PolarHBondContact O-N 3.45Å; V176-V194 HydrophobicContact CB-CG2 4.22Å; V176-V194 HydrophobicContact CG2-CB 4.26Å; V176-V194 HydrophobicContact CG2-CG2 3.59Å; I192-V194 HydrophobicContact CB-CG2 4.49Å; I192-V194 HydrophobicContact CG2-CG2 3.84Å; V194-G198 VanDerWaalsContact CG1-C 3.45Å; V194-G198 VanDerWaalsContact CG1-CA 3.49Å; V194-Q199 WeakPolarHBondContact CA-O 3.47Å; V194-Q199 WeakPolarHBondContact CG1-O 3.4Å; V194-V210 HydrophobicContact CG2-CG2 3.82Å; V194-W215 HydrophobicContact CG1-CZ2 4.34Å
195D91.1Very high90.3Very high37 Ų3741.2 Ų41.220%0.19822%0.224CC..EExtended strand (participates in β ladder)trans-75.3161.2167.9175.850.3000111.7K197 G198 Q199 L201 W215D195-K197 PolarHBondContact O-N 2.96Å; D195-K197 WeakPolarHBondContact OD2-CB 3.35Å; D195-K197 PolarHBondContact OD2-N 2.88Å; D195-K197 VanDerWaalsContact OD2-N 3.16Å; D195-G198 PolarHBondContact O-N 3.38Å; D195-Q199 HydrophobicContact CB-CB 4.42Å; D195-Q199 PolarHBondContact N-O 2.97Å; D195-L201 HydrophobicContact CB-CD1 4.03Å; D195-L201 HydrophobicContact CB-CD2 4.36Å; D195-L201 HydrophobicContact CB-CG 4.17Å; D195-W215 WeakPolarHBondContact O-CZ2 3.39Å
196S87Confident90Very high19 Ų1938.5 Ų38.513%0.13321%0.213CC..THydrogen-bonded Turntrans-39.7-43.1169.6-157.70000113.5E172 G198 W215 S219E172-S196 PolarHBondContact O-N 2.92Å; E172-S196 WeakPolarHBondContact OE2-CB 3.44Å; E172-S196 PolarHBondContact OE2-OG 3.03Å; S196-G198 VanDerWaalsContact C-N 3.31Å; S196-G198 PolarHBondContact O-N 3.18Å; S196-W215 PolarHBondContact O-NE1 3.16Å; S196-S219 PolarHBondContact O-OG 2.91Å
197K84Confident89.6Confident175 Ų17546.9 Ų46.976%0.76126%0.256SS*.THydrogen-bonded Turntrans-81.26.4-178.8-59.6-179.4-178.6179.20115.5D195 Q199D195-K197 PolarHBondContact O-N 2.96Å; D195-K197 WeakPolarHBondContact OD2-CB 3.35Å; D195-K197 PolarHBondContact OD2-N 2.88Å; D195-K197 VanDerWaalsContact OD2-N 3.16Å; K197-Q199 VanDerWaalsContact C-N 3.33Å; K197-Q199 PolarHBondContact O-N 3Å
198G84.9Confident89.3Confident16 Ų1649.2 Ų49.217%0.16527%0.268CS..SBendtrans80.68.1-178.400000115.1V194 D195 S196V194-G198 VanDerWaalsContact CG1-C 3.45Å; V194-G198 VanDerWaalsContact CG1-CA 3.49Å; D195-G198 PolarHBondContact O-N 3.38Å; S196-G198 VanDerWaalsContact C-N 3.31Å; S196-G198 PolarHBondContact O-N 3.18Å
199Q88.7Confident89Confident130 Ų13051.1 Ų51.161%0.60729%0.288SS*.  trans-79.3134.1175.9-62.2-169.25.700110.8V194 D195 K197 L201V194-Q199 WeakPolarHBondContact CA-O 3.47Å; V194-Q199 WeakPolarHBondContact CG1-O 3.4Å; D195-Q199 HydrophobicContact CB-CB 4.42Å; D195-Q199 PolarHBondContact N-O 2.97Å; K197-Q199 VanDerWaalsContact C-N 3.33Å; K197-Q199 PolarHBondContact O-N 3Å; Q199-L201 PolarHBondContact O-N 3.35Å
200I91.6Very high88.8Confident77 Ų7751.2 Ų51.240%0.39529%0.287SS..EExtended strand (participates in β ladder)trans-76.9118.8-179.5-62175.9000109.5I192 P203 V210I192-I200 HydrophobicContact CG2-CB 4.36Å; I192-I200 HydrophobicContact CG2-CD1 4.26Å; I192-I200 HydrophobicContact CG2-CG1 3.97Å; I192-I200 HydrophobicContact CG2-CG2 3.7Å; I200-P203 HydrophobicContact CG2-CB 4.15Å; I200-V210 HydrophobicContact CD1-CG2 4.24Å; I200-V210 HydrophobicContact CG1-CG2 4.19Å
201L90.3Very high88.5Confident84 Ų8453.1 Ų53.144%0.4430%0.297SS..EExtended strand (participates in β ladder)trans-94.8-28.8178.3-62.7174.6000112.4H173 K193 D195 Q199H173-L201 WeakPolarHBondContact CD2-CD1 3.34Å; H173-L201 WeakPolarHBondContact NE2-CD1 3.4Å; K193-L201 HydrophobicContact CG-CB 4.44Å; K193-L201 PolarHBondContact O-N 2.99Å; D195-L201 HydrophobicContact CB-CD1 4.03Å; D195-L201 HydrophobicContact CB-CD2 4.36Å; D195-L201 HydrophobicContact CB-CG 4.17Å; Q199-L201 PolarHBondContact O-N 3.35Å
202D89.7Confident88.1Confident28 Ų2859.6 Ų59.615%0.1533%0.328CS..EExtended strand (participates in β ladder)trans-152.3118.8171.1163.933.7000108.6Y132 R140 K193 G204Y132-D202 WeakPolarHBondContact CE1-OD2 3.06Å; Y132-D202 PolarHBondContact OH-OD2 3.46Å; R140-D202 IonicContact CZ-OD2 2.97Å; R140-D202 IonicContact NH1-OD2 3.85Å; R140-D202 IonicContact NH2-OD2 2.62Å; R140-D202 PolarHBondContact NH2-OD2 2.89Å; K193-D202 HydrophobicContact CB-CB 4.01Å; K193-D202 PolarHBondContact N-O 2.89Å; K193-D202 PolarHBondContact O-N 3.36Å; D202-G204 PolarHBondContact O-N 3.33Å; D202-G204 PolarHBondContact OD1-N 3.44Å
203P87.3Confident87.4Confident61 Ų6162.3 Ų62.340%0.39634%0.344SS..  trans-76.4-5.4179.634.3-37.3000113.7I200 T206I200-P203 HydrophobicContact CG2-CB 4.15Å; P203-T206 PolarHBondContact O-N 2.93Å; P203-T206 PolarHBondContact O-OG1 3.45Å
204G86.6Confident86.7Confident21 Ų2161.6 Ų61.622%0.21634%0.342CS..THydrogen-bonded Turntrans64.9-141.5-173.500000111.4S189 D202 T206S189-G204 CarbonylContact O-C 3.53Å; S189-G204 VanDerWaalsContact O-CA 3.3Å; S189-G204 WeakPolarHBondContact O-CA 3.34Å; D202-G204 PolarHBondContact O-N 3.33Å; D202-G204 PolarHBondContact OD1-N 3.44Å; G204-T206 VanDerWaalsContact C-N 3.32Å
205S85.2Confident86.4Confident77 Ų7762 Ų6254%0.53834%0.344SS..THydrogen-bonded Turntrans-83.61.1178.458.90000114.9S189 S190S189-S205 VanDerWaalsContact C-OG 3.27Å; S189-S205 PolarHBondContact O-N 2.88Å; S189-S205 PolarHBondContact O-OG 3.24Å; S189-S205 VanDerWaalsContact OG-CB 3.32Å; S189-S205 WeakPolarHBondContact OG-CB 3.31Å; S189-S205 PolarHBondContact OG-OG 3.32Å; S190-S205 WeakPolarHBondContact CA-OG 3.5Å; S190-S205 PolarHBondContact N-OG 3.32Å
206T84.8Confident86.2Confident22 Ų2261.4 Ų61.414%0.13534%0.343CS..  trans-109.6159.6-175.2780000113P178 L181 P203 G204 L208P178-T206 HydrophobicContact CB-CG2 4.37Å; P178-T206 HydrophobicContact CG-CG2 4.17Å; L181-T206 HydrophobicContact CD1-CG2 4.31Å; P203-T206 PolarHBondContact O-N 2.93Å; P203-T206 PolarHBondContact O-OG1 3.45Å; G204-T206 VanDerWaalsContact C-N 3.32Å; T206-L208 PolarHBondContact OG1-N 3.23Å
207I84.6Confident86.2Confident176 Ų17660.6 Ų60.690%0.90334%0.338SS*.  trans-101.316.6169.961.4169000112.1
208L87.6Confident86.5Confident59 Ų5952.2 Ų52.231%0.30930%0.301SS..  trans-90.5155.2-170.9-67.1173000111.5P178 L181 I192 T206P178-L208 HydrophobicContact CB-CB 3.71Å; P178-L208 HydrophobicContact CB-CD1 3.94Å; P178-L208 HydrophobicContact CB-CG 4.46Å; L181-L208 HydrophobicContact CD2-CD1 3.79Å; L181-L208 HydrophobicContact CG-CD1 3.73Å; I192-L208 VanDerWaalsContact CD1-O 3.26Å; I192-L208 WeakPolarHBondContact CD1-O 3.45Å; T206-L208 PolarHBondContact OG1-N 3.23Å
209G86.5Confident86.7Confident40 Ų4051.5 Ų51.541%0.41229%0.294SS..  trans-84.5179.8176.400000113.2F179F179-G209 WeakPolarHBondContact CB-O 3.37Å; F179-G209 PolarHBondContact N-O 2.68Å
210V87.9Confident86.7Confident19 Ų1945.3 Ų45.312%0.11527%0.265CS..  trans-106.2141.3169.5178.70000108.3V176 I192 V194 I200 Q212 W215V176-V210 HydrophobicContact CG1-CG1 4.09Å; I192-V210 HydrophobicContact CB-CG2 4.26Å; I192-V210 HydrophobicContact CD1-CG2 3.87Å; I192-V210 HydrophobicContact CG2-CG2 3.86Å; V194-V210 HydrophobicContact CG2-CG2 3.82Å; I200-V210 HydrophobicContact CD1-CG2 4.24Å; I200-V210 HydrophobicContact CG1-CG2 4.19Å; V210-Q212 PolarHBondContact O-N 3.34Å; V210-W215 HydrophobicContact CG1-CB 4.07Å; V210-W215 HydrophobicContact CG1-CG 4.43Å
211N86.4Confident86.7Confident46 Ų4641.7 Ų41.725%0.24625%0.246CC..  trans-70.6100.9172.7-174.8-10.1000109.6F179 V213 T214 W215F179-N211 HydrophobicContact CB-CB 4.38Å; F179-N211 HydrophobicContact CD2-CB 3.94Å; F179-N211 HydrophobicContact CG-CB 4.2Å; N211-V213 PolarHBondContact O-N 3.03Å; N211-V213 PolarHBondContact OD1-N 3.45Å; N211-T214 VanDerWaalsContact CG-OG1 3.27Å; N211-T214 PolarHBondContact ND2-OG1 3.21Å; N211-W215 WeakPolarHBondContact O-CB 3.42Å; N211-W215 PolarHBondContact O-N 2.98Å
212Q84.8Confident86.7Confident136 Ų13638 Ų3864%0.63623%0.227SC*.Hα-helixtrans-60.3-31.3-175.5-67.1-179.2-7.600113V210 A216V210-Q212 PolarHBondContact O-N 3.34Å; Q212-A216 WeakPolarHBondContact O-CB 3.41Å; Q212-A216 PolarHBondContact O-N 2.96Å
213V78.8Confident86.7Confident57 Ų5739.6 Ų39.635%0.34524%0.24SC..Hα-helixtrans-69.2-54.3-176.7177.90000111.1N211 W215 A216 L271N211-V213 PolarHBondContact O-N 3.03Å; N211-V213 PolarHBondContact OD1-N 3.45Å; V213-W215 VanDerWaalsContact C-N 3.32Å; V213-A216 WeakPolarHBondContact O-CB 3.36Å; V213-A216 PolarHBondContact O-N 3.43Å; V213-L271 WeakPolarHBondContact CG1-O 3.22Å
214T79.6Confident86.7Confident14 Ų1438 Ų389%0.08623%0.232CC..Hα-helixtrans-73.1-26.9176.45.60000112.2H162 N211 A216 H218H162-T214 WeakPolarHBondContact CE1-CG2 3.49Å; H162-T214 PolarHBondContact NE2-O 3.09Å; N211-T214 VanDerWaalsContact CG-OG1 3.27Å; N211-T214 PolarHBondContact ND2-OG1 3.21Å; T214-A216 VanDerWaalsContact C-N 3.35Å; T214-H218 PolarHBondContact O-N 2.86Å
215W88Confident86.7Confident9 Ų938.2 Ų38.23%0.03423%0.226CC..Hα-helixtrans-59.4-43.8169.8172.2-104.1000112.1H162 T164 Y174 V176 V194 D195 S196 V210 N211 V213 L217 H218 S219H162-W215 PolarHBondContact NE2-N 3.47Å; T164-W215 HydrophobicContact CG2-CE3 4.14Å; T164-W215 HydrophobicContact CG2-CZ3 3.85Å; Y174-W215 HydrophobicContact CD1-CH2 4.42Å; Y174-W215 AromaticContact CD2-CH2 3.48Å; Y174-W215 HydrophobicContact CD2-CH2 3.48Å; Y174-W215 VanDerWaalsContact CD2-CH2 3.48Å; Y174-W215 AromaticContact CD2-CZ2 3.96Å; Y174-W215 HydrophobicContact CD2-CZ2 3.96Å; Y174-W215 HydrophobicContact CE2-CH2 4.24Å; Y174-W215 HydrophobicContact CE2-CZ2 4.47Å; Y174-W215 AromaticContact CG-CH2 3.59Å; Y174-W215 HydrophobicContact CG-CH2 3.59Å; Y174-W215 HydrophobicContact CG-CZ2 4.49Å; Y174-W215 HydrophobicContact CG-CZ3 4.39Å; V176-W215 HydrophobicContact CG2-CE3 3.69Å; V176-W215 HydrophobicContact CG2-CZ3 3.57Å; V194-W215 HydrophobicContact CG1-CZ2 4.34Å; D195-W215 WeakPolarHBondContact O-CZ2 3.39Å; S196-W215 PolarHBondContact O-NE1 3.16Å; V210-W215 HydrophobicContact CG1-CB 4.07Å; V210-W215 HydrophobicContact CG1-CG 4.43Å; N211-W215 WeakPolarHBondContact O-CB 3.42Å; N211-W215 PolarHBondContact O-N 2.98Å; V213-W215 VanDerWaalsContact C-N 3.32Å; W215-L217 PolarHBondContact O-N 2.96Å; W215-H218 PolarHBondContact O-N 2.89Å; W215-H218 VanDerWaalsContact O-N 3.13Å; W215-S219 WeakPolarHBondContact O-CB 3.37Å; W215-S219 PolarHBondContact O-N 3.31Å
216A86.6Confident86.8Confident23 Ų2337.9 Ų37.919%0.1923%0.229CC..Hα-helixtrans-52.5-53.4178.400000111Q212 V213 T214 H218 S219 A220 W289Q212-A216 WeakPolarHBondContact O-CB 3.41Å; Q212-A216 PolarHBondContact O-N 2.96Å; V213-A216 WeakPolarHBondContact O-CB 3.36Å; V213-A216 PolarHBondContact O-N 3.43Å; T214-A216 VanDerWaalsContact C-N 3.35Å; A216-H218 VanDerWaalsContact C-N 3.3Å; A216-H218 PolarHBondContact O-N 3.15Å; A216-S219 PolarHBondContact O-N 3.47Å; A216-S219 VanDerWaalsContact O-N 3.17Å; A216-A220 WeakPolarHBondContact O-CB 3.42Å; A216-A220 PolarHBondContact O-N 3.16Å; A216-W289 HydrophobicContact CB-CZ3 3.79Å; A216-W289 WeakPolarHBondContact O-CH2 3.31Å; A216-W289 WeakPolarHBondContact O-CZ3 3.37Å
217L86.2Confident87Confident2 Ų239.5 Ų39.51%0.0124%0.237CC..Hα-helixtrans-59.4-37.3179.8-175.359.1000113.4W215 V221 L271 V296 L309 L315W215-L217 PolarHBondContact O-N 2.96Å; L217-V221 WeakPolarHBondContact O-CG2 3.2Å; L217-V221 PolarHBondContact O-N 3.09Å; L217-L271 HydrophobicContact CD2-CD1 4.47Å; L217-L271 HydrophobicContact CD2-CD2 4.42Å; L217-V296 HydrophobicContact CD1-CG2 4.23Å; L217-L309 HydrophobicContact CD2-CD1 3.48Å; L217-L309 VanDerWaalsContact CD2-CD1 3.48Å; L217-L309 HydrophobicContact CD2-CD2 3.95Å; L217-L309 HydrophobicContact CD2-CG 4.37Å; L217-L315 HydrophobicContact CD2-CD1 4.18Å; L217-L315 HydrophobicContact CG-CD1 4.32Å
218H90.6Very high87.4Confident0 Ų031.3 Ų31.30%020%0.195CC..Hα-helixtrans-73.9-37.4177.3-82.7-145.1000113H162 T164 T214 W215 A216 A220 V221 H222 I231 L315H162-H218 AromaticContact CD2-CE1 3.89Å; H162-H218 AromaticContact CD2-ND1 3.8Å; H162-H218 AromaticContact CE1-CD2 3.08Å; H162-H218 PolarHBondContact CE1-CD2 3.21Å; H162-H218 AromaticContact CE1-CE1 3.51Å; H162-H218 AromaticContact CE1-CG 3.93Å; H162-H218 AromaticContact CE1-NE2 2.76Å; H162-H218 PolarHBondContact CE1-NE2 3.36Å; H162-H218 AromaticContact ND1-CE1 3.83Å; H162-H218 AromaticContact ND1-NE2 3.81Å; H162-H218 VanDerWaalsContact NE2-CB 3.26Å; H162-H218 WeakPolarHBondContact NE2-CB 3.26Å; H162-H218 AromaticContact NE2-CD2 2.82Å; H162-H218 PolarHBondContact NE2-CD2 2.92Å; H162-H218 AromaticContact NE2-CE1 3.63Å; H162-H218 AromaticContact NE2-CG 2.83Å; H162-H218 AromaticContact NE2-ND1 3.39Å; H162-H218 PolarHBondContact NE2-ND1 3.2Å; H162-H218 AromaticContact NE2-NE2 3.36Å; H162-H218 PolarHBondContact NE2-NE2 3Å; T164-H218 HydrophobicContact CG2-CB 4.04Å; T164-H218 VanDerWaalsContact CG2-ND1 3.29Å; T164-H218 WeakPolarHBondContact CG2-ND1 3.04Å; T164-H218 PolarHBondContact OG1-ND1 2.82Å; T214-H218 PolarHBondContact O-N 2.86Å; W215-H218 PolarHBondContact O-N 2.89Å; W215-H218 VanDerWaalsContact O-N 3.13Å; A216-H218 VanDerWaalsContact C-N 3.3Å; A216-H218 PolarHBondContact O-N 3.15Å; H218-A220 VanDerWaalsContact C-N 3.34Å; H218-V221 PolarHBondContact O-N 3.32Å; H218-H222 PolarHBondContact O-CD2 2.87Å; H218-H222 PolarHBondContact O-N 2.88Å; H218-I231 HydrophobicContact CB-CD1 4.41Å; H218-I231 WeakPolarHBondContact CE1-CG2 3.36Å; H218-L315 WeakPolarHBondContact NE2-CD2 3.18Å
219S89.6Confident87.6Confident1 Ų131.1 Ų31.11%0.00719%0.19CC..Hα-helixtrans-64.6-40.5174.2174.60000110.6S196 W215 A216 V221 H222 S223S196-S219 PolarHBondContact O-OG 2.91Å; W215-S219 WeakPolarHBondContact O-CB 3.37Å; W215-S219 PolarHBondContact O-N 3.31Å; A216-S219 PolarHBondContact O-N 3.47Å; A216-S219 VanDerWaalsContact O-N 3.17Å; S219-V221 PolarHBondContact O-N 3.41Å; S219-H222 PolarHBondContact O-N 2.94Å; S219-S223 WeakPolarHBondContact O-CB 3.24Å; S219-S223 PolarHBondContact O-N 3.48Å; S219-S223 PolarHBondContact O-OG 2.89Å
220A88.8Confident88Confident0 Ų029.2 Ų29.20%017%0.17CC..Hα-helixtrans-59-44.1175.200000112.4A216 H218 A224 W289 C293A216-A220 WeakPolarHBondContact O-CB 3.42Å; A216-A220 PolarHBondContact O-N 3.16Å; H218-A220 VanDerWaalsContact C-N 3.34Å; A220-A224 VanDerWaalsContact O-CB 3.28Å; A220-A224 WeakPolarHBondContact O-CB 3.05Å; A220-A224 PolarHBondContact O-N 2.94Å; A220-W289 HydrophobicContact CB-CH2 3.84Å; A220-W289 HydrophobicContact CB-CZ3 3.95Å; A220-W289 VanDerWaalsContact N-CH2 3.33Å; A220-C293 VanDerWaalsContact CB-SG 3.58Å
221V90.3Very high88.4Confident0 Ų028.3 Ų28.30%016%0.164CC..Hα-helixtrans-66.8-42175.6175.20000112.1L217 H218 S219 A224 R225 I228 I231 V296 L300 L315 L317L217-V221 WeakPolarHBondContact O-CG2 3.2Å; L217-V221 PolarHBondContact O-N 3.09Å; H218-V221 PolarHBondContact O-N 3.32Å; S219-V221 PolarHBondContact O-N 3.41Å; V221-A224 PolarHBondContact O-N 3.13Å; V221-R225 PolarHBondContact O-N 2.95Å; V221-I228 HydrophobicContact CG1-CD1 4.01Å; V221-I231 HydrophobicContact CB-CD1 3.73Å; V221-I231 HydrophobicContact CG1-CD1 3.54Å; V221-I231 HydrophobicContact CG1-CG1 4.44Å; V221-V296 HydrophobicContact CG2-CG1 3.58Å; V221-L300 HydrophobicContact CG1-CD2 4.04Å; V221-L315 HydrophobicContact CG2-CD1 4.46Å; V221-L317 HydrophobicContact CG1-CD1 4.44Å; V221-L317 HydrophobicContact CG1-CD2 3.86Å
222H91.5Very high88.8Confident7 Ų726.1 Ų26.13%0.03215%0.153CC..Hα-helixtrans-65.6-39.5176.7-79-64.5000112.3T164 Y174 H218 S219 R225 R229 C230 I231T164-H222 WeakPolarHBondContact CB-NE2 3.48Å; T164-H222 PolarHBondContact O-NE2 2.9Å; T164-H222 PolarHBondContact OG1-NE2 3.02Å; Y174-H222 AromaticContact CD1-CD2 3.72Å; Y174-H222 AromaticContact CD1-CG 3.93Å; Y174-H222 HydrophobicContact CE1-CB 3.59Å; Y174-H222 AromaticContact CE1-CD2 3.63Å; Y174-H222 AromaticContact CE1-CG 3.36Å; Y174-H222 AromaticContact CE1-ND1 3.66Å; H218-H222 PolarHBondContact O-CD2 2.87Å; H218-H222 PolarHBondContact O-N 2.88Å; S219-H222 PolarHBondContact O-N 2.94Å; H222-R225 CarbonylContact O-C 3.52Å; H222-R225 PolarHBondContact O-N 3.3Å; H222-R229 PolarHBondContact CE1-O 3.42Å; H222-C230 PolarHBondContact CE1-N 3.21Å; H222-I231 WeakPolarHBondContact NE2-CD1 3.35Å; H222-I231 WeakPolarHBondContact NE2-CG1 3.5Å
223S88.3Confident89.2Confident61 Ų6119.8 Ų19.843%0.42712%0.123SC..Hα-helixtrans-68.6-35.6174.5-64.90000112.6S219S219-S223 WeakPolarHBondContact O-CB 3.24Å; S219-S223 PolarHBondContact O-N 3.48Å; S219-S223 PolarHBondContact O-OG 2.89Å
224A87.6Confident89.9Confident29 Ų2917.1 Ų17.124%0.2411%0.107CC..Hα-helixtrans-66.1-37.3174.400000112.2A220 V221A220-A224 VanDerWaalsContact O-CB 3.28Å; A220-A224 WeakPolarHBondContact O-CB 3.05Å; A220-A224 PolarHBondContact O-N 2.94Å; V221-A224 PolarHBondContact O-N 3.13Å
225R87.2Confident90.5Very high24 Ų2418 Ų189%0.09111%0.111CC..  trans-141.990.5-170.6-92.9-174.164.1-172.2-8.7114.4V221 H222 D227 I228 G301 A304V221-R225 PolarHBondContact O-N 2.95Å; H222-R225 CarbonylContact O-C 3.52Å; H222-R225 PolarHBondContact O-N 3.3Å; R225-D227 VanDerWaalsContact CB-OD1 3.25Å; R225-D227 WeakPolarHBondContact CB-OD1 3.35Å; R225-D227 WeakPolarHBondContact CG-OD1 3.48Å; R225-D227 IonicContact CZ-OD1 3.75Å; R225-D227 IonicContact CZ-OD2 2.97Å; R225-D227 IonicContact NE-OD1 3.61Å; R225-D227 PolarHBondContact NE-OD1 2.72Å; R225-D227 IonicContact NE-OD2 3.15Å; R225-D227 PolarHBondContact NE-OD2 2.72Å; R225-D227 IonicContact NH2-OD1 3.29Å; R225-D227 IonicContact NH2-OD2 2.7Å; R225-D227 PolarHBondContact NH2-OD2 2.98Å; R225-D227 PolarHBondContact O-N 3.11Å; R225-D227 VanDerWaalsContact O-N 3.13Å; R225-I228 HydrophobicContact CB-CD1 3.65Å; R225-I228 HydrophobicContact CB-CG1 4.13Å; R225-I228 WeakPolarHBondContact O-CB 3.23Å; R225-I228 PolarHBondContact O-N 3.27Å; R225-I228 VanDerWaalsContact O-N 3.11Å; R225-G301 WeakPolarHBondContact CD-O 3.49Å; R225-G301 PolarHBondContact NH1-O 2.85Å; R225-A304 PolarHBondContact NH1-O 2.93Å
226A87.6Confident90.7Very high71 Ų7118 Ų1859%0.58711%0.112SC*.THydrogen-bonded Turntrans-66.4-7.6176.900000115.3R169R169-A226 PolarHBondContact NE-O 3.1Å; R169-A226 PolarHBondContact NH2-O 2.92Å
227D89.3Confident91Very high56 Ų5622 Ų2230%0.29914%0.136SC..THydrogen-bonded Turntrans-69.3-40.5168.464.4-60.8000111.2R169 R225R169-D227 PolarHBondContact NH2-O 2.92Å; R225-D227 VanDerWaalsContact CB-OD1 3.25Å; R225-D227 WeakPolarHBondContact CB-OD1 3.35Å; R225-D227 WeakPolarHBondContact CG-OD1 3.48Å; R225-D227 IonicContact CZ-OD1 3.75Å; R225-D227 IonicContact CZ-OD2 2.97Å; R225-D227 IonicContact NE-OD1 3.61Å; R225-D227 PolarHBondContact NE-OD1 2.72Å; R225-D227 IonicContact NE-OD2 3.15Å; R225-D227 PolarHBondContact NE-OD2 2.72Å; R225-D227 IonicContact NH2-OD1 3.29Å; R225-D227 IonicContact NH2-OD2 2.7Å; R225-D227 PolarHBondContact NH2-OD2 2.98Å; R225-D227 PolarHBondContact O-N 3.11Å; R225-D227 VanDerWaalsContact O-N 3.13Å
228I92.2Very high91.3Very high4 Ų422.6 Ų22.62%0.02114%0.141CC..  trans-63.2140.7178.1-58.2167.1000109.4V221 R225 C230 I231 L300 L317V221-I228 HydrophobicContact CG1-CD1 4.01Å; R225-I228 HydrophobicContact CB-CD1 3.65Å; R225-I228 HydrophobicContact CB-CG1 4.13Å; R225-I228 WeakPolarHBondContact O-CB 3.23Å; R225-I228 PolarHBondContact O-N 3.27Å; R225-I228 VanDerWaalsContact O-N 3.11Å; I228-C230 WeakPolarHBondContact CG2-O 3.39Å; I228-I231 HydrophobicContact CG2-CG1 3.85Å; I228-L300 HydrophobicContact CD1-CD2 4.11Å; I228-L317 HydrophobicContact CD1-CB 4Å; I228-L317 HydrophobicContact CD1-CD1 3.94Å; I228-L317 HydrophobicContact CD1-CD2 4.31Å; I228-L317 HydrophobicContact CD1-CG 4.31Å; I228-L317 HydrophobicContact CG1-CB 4.3Å; I228-L317 HydrophobicContact CG2-CB 4.31Å; I228-L317 HydrophobicContact CG2-CD2 4.48Å
229R92.3Very high91.4Very high54 Ų5422.6 Ų22.620%0.20414%0.141CC..  trans-129.3-20.6174.1-62.5-166.863.8-137.5-4.9113.8V165 C166 H222 G318 E319V165-R229 CarbonylContact C-O 3.4Å; V165-R229 VanDerWaalsContact CA-O 3.26Å; V165-R229 WeakPolarHBondContact CA-O 3.43Å; C166-R229 PolarHBondContact N-O 3.23Å; C166-R229 PolarHBondContact O-NE 2.9Å; C166-R229 PolarHBondContact O-NH2 3.12Å; H222-R229 PolarHBondContact CE1-O 3.42Å; R229-G318 PolarHBondContact N-O 2.87Å; R229-E319 WeakPolarHBondContact CB-O 3.25Å; R229-E319 WeakPolarHBondContact CD-O 3.44Å
230C95Very high91.6Very high0 Ų024.5 Ų24.50%015%0.152CC..EExtended strand (participates in β ladder)trans-130.1134.3174.4-172.80000110T164 V165 H222 I228 G318 I321 A324T164-C230 WeakPolarHBondContact O-CA 3.15Å; V165-C230 HydrophobicContact CG2-CB 4.22Å; H222-C230 PolarHBondContact CE1-N 3.21Å; I228-C230 WeakPolarHBondContact CG2-O 3.39Å; C230-G318 PolarHBondContact N-O 3.44Å; C230-G318 PolarHBondContact O-N 3.15Å; C230-I321 HydrophobicContact CB-CG1 4.14Å; C230-A324 HydrophobicContact CB-CB 3.81Å
231I95.5Very high91.8Very high0 Ų026.1 Ų26.10%017%0.166CC..EExtended strand (participates in β ladder)trans-125.3124.5174-54.7-179.9000107.7V163 T164 H218 V221 H222 I228 L315 A316 L317V163-I231 CarbonylContact C-O 3.59Å; V163-I231 WeakPolarHBondContact CA-O 3.47Å; V163-I231 WeakPolarHBondContact CG1-O 3.34Å; T164-I231 PolarHBondContact N-O 3.2Å; T164-I231 PolarHBondContact O-N 2.92Å; H218-I231 HydrophobicContact CB-CD1 4.41Å; H218-I231 WeakPolarHBondContact CE1-CG2 3.36Å; V221-I231 HydrophobicContact CB-CD1 3.73Å; V221-I231 HydrophobicContact CG1-CD1 3.54Å; V221-I231 HydrophobicContact CG1-CG1 4.44Å; H222-I231 WeakPolarHBondContact NE2-CD1 3.35Å; H222-I231 WeakPolarHBondContact NE2-CG1 3.5Å; I228-I231 HydrophobicContact CG2-CG1 3.85Å; I231-L315 HydrophobicContact CG2-CD2 3.66Å; I231-A316 WeakPolarHBondContact CA-O 3.11Å; I231-L317 HydrophobicContact CB-CD2 4.18Å; I231-L317 HydrophobicContact CD1-CD2 4.25Å; I231-L317 HydrophobicContact CG1-CD2 3.77Å; I231-L317 HydrophobicContact CG2-CD2 3.76Å
232I95.3Very high92Very high0 Ų026.1 Ų26.10%017%0.166CC..EExtended strand (participates in β ladder)trans-112.9120.9176.5-44-176.4000108.4V146 I150 V163 L234 A316 A324 W325 A328V146-I232 HydrophobicContact CG1-CD1 4.37Å; I150-I232 HydrophobicContact CD1-CG2 3.97Å; V163-I232 HydrophobicContact CG1-CB 4.39Å; V163-I232 HydrophobicContact CG1-CG1 3.96Å; V163-I232 HydrophobicContact CG1-CG2 4.44Å; V163-I232 HydrophobicContact CG2-CB 4.49Å; V163-I232 HydrophobicContact CG2-CG2 3.79Å; I232-L234 HydrophobicContact CG2-CD1 3.97Å; I232-L234 HydrophobicContact CG2-CD2 4.17Å; I232-L234 HydrophobicContact CG2-CG 3.88Å; I232-A316 HydrophobicContact CB-CB 4.46Å; I232-A316 PolarHBondContact N-O 2.89Å; I232-A316 PolarHBondContact O-N 2.97Å; I232-A324 HydrophobicContact CD1-CB 4.01Å; I232-A324 HydrophobicContact CG1-CB 4.07Å; I232-W325 HydrophobicContact CD1-CB 4.31Å; I232-W325 HydrophobicContact CD1-CE3 4.09Å; I232-A328 HydrophobicContact CD1-CB 4.27Å
233H93.8Very high92.1Very high4 Ų425.8 Ų25.82%0.01916%0.164CC..EExtended strand (participates in β ladder)trans-97.8125.5174.9-166.1-124.2000111.2H162 D235 L309 L314 L315H162-H233 AromaticContact CE1-CG 3.6Å; H162-H233 AromaticContact CE1-ND1 3.73Å; H162-H233 WeakPolarHBondContact O-CB 3.33Å; H162-H233 PolarHBondContact O-N 2.85Å; H233-D235 VanDerWaalsContact CE1-CG 3.41Å; H233-D235 IonicContact CE1-OD1 3.8Å; H233-D235 PolarHBondContact CE1-OD1 3.24Å; H233-D235 IonicContact CE1-OD2 3.5Å; H233-D235 PolarHBondContact CE1-OD2 2.8Å; H233-D235 IonicContact ND1-OD1 3.8Å; H233-D235 IonicContact ND1-OD2 3.41Å; H233-D235 IonicContact NE2-OD1 2.93Å; H233-D235 PolarHBondContact NE2-OD1 3.43Å; H233-L309 VanDerWaalsContact NE2-CD1 3.31Å; H233-L309 WeakPolarHBondContact NE2-CD1 3.3Å; H233-L314 WeakPolarHBondContact CA-O 3.49Å; H233-L314 PolarHBondContact CD2-O 3.22Å; H233-L315 HydrophobicContact CB-CD2 3.97Å; H233-L315 WeakPolarHBondContact CD2-CD2 3.47Å
234L93.1Very high92.2Very high1 Ų126.7 Ų26.71%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-137.798.2-172.5-66.1175.1000112.8I150 W155 I232 T236 T239 L314 A328 I332I150-L234 HydrophobicContact CD1-CD2 4.03Å; I150-L234 HydrophobicContact CG1-CD2 4.2Å; I150-L234 HydrophobicContact CG2-CD2 3.91Å; W155-L234 HydrophobicContact CB-CD2 4.39Å; W155-L234 HydrophobicContact CE3-CD1 4.29Å; I232-L234 HydrophobicContact CG2-CD1 3.97Å; I232-L234 HydrophobicContact CG2-CD2 4.17Å; I232-L234 HydrophobicContact CG2-CG 3.88Å; L234-T236 VanDerWaalsContact C-N 3.26Å; L234-T236 HydrophobicContact CB-CG2 4.47Å; L234-T236 PolarHBondContact O-N 3.42Å; L234-T239 PolarHBondContact O-OG1 2.92Å; L234-L314 PolarHBondContact N-O 3.45Å; L234-L314 PolarHBondContact O-N 3Å; L234-A328 HydrophobicContact CD1-CB 3.66Å; L234-I332 HydrophobicContact CD1-CD1 3.77Å
235D91.1Very high92.4Very high32 Ų3228.1 Ų28.117%0.17117%0.172CC..  trans-90.450.8177.3-59.9-18.7000111.6N161 H233 V240 G313N161-D235 PolarHBondContact OD1-OD2 3.45Å; H233-D235 VanDerWaalsContact CE1-CG 3.41Å; H233-D235 IonicContact CE1-OD1 3.8Å; H233-D235 PolarHBondContact CE1-OD1 3.24Å; H233-D235 IonicContact CE1-OD2 3.5Å; H233-D235 PolarHBondContact CE1-OD2 2.8Å; H233-D235 IonicContact ND1-OD1 3.8Å; H233-D235 IonicContact ND1-OD2 3.41Å; H233-D235 IonicContact NE2-OD1 2.93Å; H233-D235 PolarHBondContact NE2-OD1 3.43Å; D235-V240 HydrophobicContact CB-CG2 4.31Å; D235-G313 WeakPolarHBondContact OD1-CA 3.42Å
236T92.5Very high92.5Very high8 Ų837 Ų375%0.04921%0.211CC..  trans-69.8147.5172.870.50000110.2W155 L234 S238 T239 V240 I332W155-T236 HydrophobicContact CB-CG2 3.84Å; W155-T236 HydrophobicContact CG-CG2 4.07Å; L234-T236 VanDerWaalsContact C-N 3.26Å; L234-T236 HydrophobicContact CB-CG2 4.47Å; L234-T236 PolarHBondContact O-N 3.42Å; T236-S238 PolarHBondContact O-N 3.31Å; T236-S238 VanDerWaalsContact O-N 3.08Å; T236-T239 PolarHBondContact N-OG1 2.76Å; T236-T239 VanDerWaalsContact N-OG1 3.12Å; T236-T239 PolarHBondContact O-N 2.98Å; T236-T239 PolarHBondContact O-OG1 2.95Å; T236-T239 WeakPolarHBondContact OG1-CB 3.41Å; T236-T239 WeakPolarHBondContact OG1-CG2 3.27Å; T236-T239 PolarHBondContact OG1-N 3.24Å; T236-T239 PolarHBondContact OG1-OG1 3.24Å; T236-V240 WeakPolarHBondContact O-CG2 3.26Å; T236-V240 PolarHBondContact O-N 2.95Å; T236-I332 HydrophobicContact CG2-CD1 3.78Å; T236-I332 HydrophobicContact CG2-CG1 4.35Å
237P92.5Very high92.4Very high108 Ų10836.6 Ų36.670%0.70120%0.204SC*.Hα-helixtrans-55.5-34.5-176.821-33.2000113.1A241P237-A241 VanDerWaalsContact O-CB 3.23Å; P237-A241 WeakPolarHBondContact O-CB 3.49Å; P237-A241 PolarHBondContact O-N 3.39Å
238S93.3Very high92.5Very high15 Ų1533.9 Ų33.911%0.10519%0.189CC..Hα-helixtrans-69.9-42.4176.8-49.40000113.2T236 A241 I242 D336T236-S238 PolarHBondContact O-N 3.31Å; T236-S238 VanDerWaalsContact O-N 3.08Å; S238-A241 PolarHBondContact O-N 2.92Å; S238-I242 PolarHBondContact O-N 3.49Å; S238-I242 VanDerWaalsContact O-N 3.14Å; S238-D336 WeakPolarHBondContact CB-OD1 3.29Å; S238-D336 PolarHBondContact OG-OD1 3.43Å
239T93.5Very high92.5Very high0 Ų034.7 Ų34.70%019%0.193CC..Hα-helixtrans-68.5-39.7175.352.40000111.6L234 T236 I242 S243 L314 I332 C335L234-T239 PolarHBondContact O-OG1 2.92Å; T236-T239 PolarHBondContact N-OG1 2.76Å; T236-T239 VanDerWaalsContact N-OG1 3.12Å; T236-T239 PolarHBondContact O-N 2.98Å; T236-T239 PolarHBondContact O-OG1 2.95Å; T236-T239 WeakPolarHBondContact OG1-CB 3.41Å; T236-T239 WeakPolarHBondContact OG1-CG2 3.27Å; T236-T239 PolarHBondContact OG1-N 3.24Å; T236-T239 PolarHBondContact OG1-OG1 3.24Å; T239-I242 PolarHBondContact O-N 3.29Å; T239-S243 WeakPolarHBondContact O-CB 3.44Å; T239-S243 PolarHBondContact O-N 2.7Å; T239-L314 HydrophobicContact CG2-CB 3.85Å; T239-L314 HydrophobicContact CG2-CD2 3.77Å; T239-L314 HydrophobicContact CG2-CG 4.32Å; T239-I332 HydrophobicContact CG2-CG1 4.01Å; T239-C335 HydrophobicContact CG2-CB 4.33Å
240V93.3Very high92.4Very high41 Ų4134.1 Ų34.125%0.24820%0.195CC..Hα-helixtrans-61.9-47.6174-171.80000110.5D235 T236 I242 S243 C244 L312D235-V240 HydrophobicContact CB-CG2 4.31Å; T236-V240 WeakPolarHBondContact O-CG2 3.26Å; T236-V240 PolarHBondContact O-N 2.95Å; V240-I242 PolarHBondContact O-N 2.91Å; V240-S243 WeakPolarHBondContact O-CB 3.19Å; V240-S243 PolarHBondContact O-N 3.12Å; V240-S243 VanDerWaalsContact O-N 3.16Å; V240-S243 PolarHBondContact O-OG 2.67Å; V240-C244 PolarHBondContact O-N 2.85Å; V240-L312 WeakPolarHBondContact CG2-O 3.17Å
241A93.7Very high92.2Very high34 Ų3435.7 Ų35.728%0.28120%0.204SC..Hα-helixtrans-57-46179.800000112.2P237 S238 C244 M245 L339P237-A241 VanDerWaalsContact O-CB 3.23Å; P237-A241 WeakPolarHBondContact O-CB 3.49Å; P237-A241 PolarHBondContact O-N 3.39Å; S238-A241 PolarHBondContact O-N 2.92Å; A241-C244 WeakPolarHBondContact O-CB 3.47Å; A241-C244 PolarHBondContact O-N 2.89Å; A241-C244 VanDerWaalsContact O-N 3.11Å; A241-M245 PolarHBondContact O-N 3.31Å; A241-L339 HydrophobicContact CB-CD1 4.4Å; A241-L339 HydrophobicContact CB-CD2 4.45Å
242I93.4Very high91.8Very high0 Ų037.8 Ų37.80%022%0.215CC..Hα-helixtrans-74-28.2179.1-77.6164.1000112.5S238 T239 V240 C244 M245 L249 F308 C335 Q338S238-I242 PolarHBondContact O-N 3.49Å; S238-I242 VanDerWaalsContact O-N 3.14Å; T239-I242 PolarHBondContact O-N 3.29Å; V240-I242 PolarHBondContact O-N 2.91Å; I242-C244 PolarHBondContact O-N 2.86Å; I242-M245 HydrophobicContact CG1-SD 3.65Å; I242-M245 PolarHBondContact O-N 3.49Å; I242-M245 VanDerWaalsContact O-N 3.12Å; I242-L249 HydrophobicContact CD1-CD1 4.34Å; I242-L249 HydrophobicContact CG2-CB 4.04Å; I242-L249 HydrophobicContact CG2-CD1 4.32Å; I242-F308 HydrophobicContact CB-CE1 4.48Å; I242-F308 HydrophobicContact CG2-CE1 3.93Å; I242-F308 HydrophobicContact CG2-CZ 4.11Å; I242-C335 VanDerWaalsContact CD1-CA 3.4Å; I242-C335 HydrophobicContact CD1-CB 3.72Å; I242-C335 WeakPolarHBondContact CD1-O 3.42Å; I242-Q338 HydrophobicContact CD1-CB 3.8Å; I242-Q338 HydrophobicContact CD1-CG 3.86Å; I242-Q338 HydrophobicContact CG1-CG 4.43Å
243S92.9Very high91.5Very high0 Ų038.8 Ų38.80%022%0.222CC..Hα-helixtrans-58.9-31.3167.390.50000112.1T239 V240 L309 R310 S311T239-S243 WeakPolarHBondContact O-CB 3.44Å; T239-S243 PolarHBondContact O-N 2.7Å; V240-S243 WeakPolarHBondContact O-CB 3.19Å; V240-S243 PolarHBondContact O-N 3.12Å; V240-S243 VanDerWaalsContact O-N 3.16Å; V240-S243 PolarHBondContact O-OG 2.67Å; S243-L309 VanDerWaalsContact CB-O 3.28Å; S243-L309 WeakPolarHBondContact CB-O 3.01Å; S243-L309 PolarHBondContact OG-O 3.37Å; S243-R310 WeakPolarHBondContact O-CD 3.36Å; S243-R310 PolarHBondContact O-NH1 3.35Å; S243-S311 WeakPolarHBondContact OG-CA 3.44Å; S243-S311 PolarHBondContact OG-N 2.64Å
244C92.1Very high91.3Very high80 Ų8041.7 Ų41.754%0.54124%0.238SC..Hα-helixtrans-83.1-18.8176.5-65.90000113.9V240 A241 I242V240-C244 PolarHBondContact O-N 2.85Å; A241-C244 WeakPolarHBondContact O-CB 3.47Å; A241-C244 PolarHBondContact O-N 2.89Å; A241-C244 VanDerWaalsContact O-N 3.11Å; I242-C244 PolarHBondContact O-N 2.86Å
245M91.2Very high91.1Very high59 Ų5943.1 Ų43.129%0.29125%0.245SC..  trans-73.1129.2-179-69.7-179.175.600111.6A241 I242 S247 G248 R310 Q338A241-M245 PolarHBondContact O-N 3.31Å; I242-M245 HydrophobicContact CG1-SD 3.65Å; I242-M245 PolarHBondContact O-N 3.49Å; I242-M245 VanDerWaalsContact O-N 3.12Å; M245-S247 PolarHBondContact O-N 3.48Å; M245-G248 PolarHBondContact O-N 3.06Å; M245-R310 PolarHBondContact O-NH1 3.3Å; M245-Q338 PolarHBondContact SD-NE2 2.94Å
246K89.3Confident91.1Very high211 Ų21141.9 Ų41.992%0.91724%0.239SC*.THydrogen-bonded Turntrans-57.5-33.8177-71.7-177.1176.3178.90113.1G248K246-G248 VanDerWaalsContact C-N 3.25Å; K246-G248 PolarHBondContact O-N 3.08Å
247S85.9Confident90.9Very high61 Ų6142.5 Ų42.543%0.42724%0.241SC..THydrogen-bonded Turntrans-66.6-22.2174.856.90000114.2M245M245-S247 PolarHBondContact O-N 3.48Å
248G90.4Very high90.7Very high0 Ų037.4 Ų37.40%021%0.208CC..  trans60.8-158.1-162.400000112.1M245 K246 Y264 Q338M245-G248 PolarHBondContact O-N 3.06Å; K246-G248 VanDerWaalsContact C-N 3.25Å; K246-G248 PolarHBondContact O-N 3.08Å; G248-Y264 WeakPolarHBondContact CA-OH 3.5Å; G248-Q338 PolarHBondContact O-NE2 3.28Å
249L92.4Very high90.4Very high20 Ų2036.7 Ų36.711%0.10520%0.203CC..SBendtrans-75.6123.2171.1-171.670.6000110.6I242 L259 Y264 F308 A334I242-L249 HydrophobicContact CD1-CD1 4.34Å; I242-L249 HydrophobicContact CG2-CB 4.04Å; I242-L249 HydrophobicContact CG2-CD1 4.32Å; L249-L259 HydrophobicContact CD2-CD1 3.61Å; L249-Y264 PolarHBondContact N-OH 3.14Å; L249-F308 HydrophobicContact CB-CE2 4Å; L249-F308 HydrophobicContact CB-CZ 4.11Å; L249-F308 HydrophobicContact CD2-CE2 4.15Å; L249-F308 HydrophobicContact CD2-CZ 4.24Å; L249-A334 HydrophobicContact CD1-CB 4.03Å; L249-A334 HydrophobicContact CD2-CB 4.15Å
250L90.5Very high90.1Very high43 Ų4336.9 Ų36.923%0.22521%0.205CC..  trans-95.5146.5178.1-64.2174.4000110.4L252L250-L252 HydrophobicContact CB-CD1 4.04Å; L250-L252 HydrophobicContact CB-CD2 4.35Å; L250-L252 HydrophobicContact CB-CG 3.78Å; L250-L252 HydrophobicContact CD1-CD1 4.39Å; L250-L252 PolarHBondContact O-N 3Å
251P90.4Very high89.9Confident32 Ų3239.9 Ų39.921%0.20822%0.216CC..SBendtrans-77.859.5179.434-36.6000111.9M257 P352P251-M257 HydrophobicContact CB-CG 4.23Å; P251-P352 HydrophobicContact CB-CG 4.19Å; P251-P352 HydrophobicContact CG-CG 4.28Å; P251-P352 WeakPolarHBondContact O-CD 3.21Å; P251-P352 WeakPolarHBondContact O-CG 3.29Å
252L87.7Confident89.8Confident44 Ų4440 Ų4023%0.2321%0.214CC..  trans-83.4-30.3-175.1-63.1171.2000113.2L250 Q338 L341 L349 L351L250-L252 HydrophobicContact CB-CD1 4.04Å; L250-L252 HydrophobicContact CB-CD2 4.35Å; L250-L252 HydrophobicContact CB-CG 3.78Å; L250-L252 HydrophobicContact CD1-CD1 4.39Å; L250-L252 PolarHBondContact O-N 3Å; L252-Q338 HydrophobicContact CD1-CB 4.2Å; L252-Q338 HydrophobicContact CD1-CG 4.19Å; L252-L341 HydrophobicContact CB-CD1 4.49Å; L252-L341 HydrophobicContact CD1-CD1 4.03Å; L252-L349 HydrophobicContact CD1-CD1 4.06Å; L252-L349 HydrophobicContact CD2-CB 3.98Å; L252-L349 HydrophobicContact CD2-CD1 3.99Å; L252-L349 HydrophobicContact CD2-CG 4.47Å; L252-L351 HydrophobicContact CD2-CD2 3.96Å
253C88.9Confident89.8Confident21 Ų2140.5 Ų40.514%0.14222%0.218CC..SBendtrans-120.5169-176.659.90000111.6E255 A256 M257 T337C253-E255 VanDerWaalsContact C-N 3.26Å; C253-E255 WeakPolarHBondContact CB-OE2 3.42Å; C253-E255 PolarHBondContact O-N 2.63Å; C253-A256 PolarHBondContact O-N 3.28Å; C253-A256 VanDerWaalsContact SG-CB 3.54Å; C253-A256 PolarHBondContact SG-N 3.38Å; C253-A256 VanDerWaalsContact SG-N 3.4Å; C253-M257 PolarHBondContact O-N 2.96Å; C253-T337 PolarHBondContact SG-OG1 3.48Å; C253-T337 VanDerWaalsContact SG-OG1 3.39Å
254N88.9Confident89.8Confident65 Ų6543.8 Ų43.835%0.34823%0.231SC..Hα-helixtrans-65.3-36.3-179.8175.167.7000111.1A256 M257 I258N254-A256 PolarHBondContact O-N 2.74Å; N254-M257 WeakPolarHBondContact O-CB 3.35Å; N254-M257 PolarHBondContact O-N 3.3Å; N254-M257 VanDerWaalsContact O-N 3.13Å; N254-I258 WeakPolarHBondContact ND2-CD1 3.44Å; N254-I258 WeakPolarHBondContact O-CG1 3.27Å; N254-I258 PolarHBondContact O-N 3.39Å
255E90.1Very high89.7Confident32 Ų3240.6 Ų40.615%0.1521%0.207CC..Hα-helixtrans-64.3-41.8179.9-60.462.2-133.100110C253 I258 L259 N330 V333 A334C253-E255 VanDerWaalsContact C-N 3.26Å; C253-E255 WeakPolarHBondContact CB-OE2 3.42Å; C253-E255 PolarHBondContact O-N 2.63Å; E255-I258 WeakPolarHBondContact O-CB 3.29Å; E255-I258 PolarHBondContact O-N 2.94Å; E255-L259 WeakPolarHBondContact O-CG 3.43Å; E255-L259 PolarHBondContact O-N 2.94Å; E255-N330 HydrophobicContact CB-CB 4.14Å; E255-V333 HydrophobicContact CG-CB 4.45Å; E255-V333 HydrophobicContact CG-CG1 3.98Å; E255-A334 HydrophobicContact CB-CB 4.46Å
256A90.7Very high89.4Confident6 Ų642 Ų425%0.0522%0.219CC..Hα-helixtrans-66.6-34.7172.600000113.2C253 N254 A334C253-A256 PolarHBondContact O-N 3.28Å; C253-A256 VanDerWaalsContact SG-CB 3.54Å; C253-A256 PolarHBondContact SG-N 3.38Å; C253-A256 VanDerWaalsContact SG-N 3.4Å; N254-A256 PolarHBondContact O-N 2.74Å; A256-A334 HydrophobicContact CB-CB 3.88Å
257M88.8Confident88.6Confident21 Ų2132.9 Ų32.910%0.10318%0.181CC..Hα-helixtrans-70.4-32.8174.5-70.4-171.2-75.200112.3P251 C253 N254 L259 G260 P352 K357 T360P251-M257 HydrophobicContact CB-CG 4.23Å; C253-M257 PolarHBondContact O-N 2.96Å; N254-M257 WeakPolarHBondContact O-CB 3.35Å; N254-M257 PolarHBondContact O-N 3.3Å; N254-M257 VanDerWaalsContact O-N 3.13Å; M257-L259 VanDerWaalsContact C-N 3.33Å; M257-L259 PolarHBondContact O-N 3.5Å; M257-G260 PolarHBondContact O-N 3.36Å; M257-P352 HydrophobicContact SD-CB 4.13Å; M257-P352 HydrophobicContact SD-CG 3.93Å; M257-K357 HydrophobicContact CG-CG 4.33Å; M257-T360 HydrophobicContact CB-CG2 3.95Å; M257-T360 HydrophobicContact CE-CG2 4.36Å
258I87.5Confident87.5Confident0 Ų035.3 Ų35.30%020%0.198CC..Hα-helixtrans-64-33.4178-78.4166.1000112.6N254 E255 G260 N330 Y361 W364N254-I258 WeakPolarHBondContact ND2-CD1 3.44Å; N254-I258 WeakPolarHBondContact O-CG1 3.27Å; N254-I258 PolarHBondContact O-N 3.39Å; E255-I258 WeakPolarHBondContact O-CB 3.29Å; E255-I258 PolarHBondContact O-N 2.94Å; I258-G260 PolarHBondContact O-N 3.34Å; I258-N330 VanDerWaalsContact CG2-ND2 3.29Å; I258-N330 WeakPolarHBondContact CG2-ND2 3.32Å; I258-Y361 VanDerWaalsContact O-CD2 3.31Å; I258-Y361 WeakPolarHBondContact O-CD2 3.32Å; I258-Y361 WeakPolarHBondContact O-CE2 3.37Å; I258-W364 HydrophobicContact CB-CD2 4.31Å; I258-W364 HydrophobicContact CB-CE3 4.41Å; I258-W364 HydrophobicContact CD1-CD2 4.33Å; I258-W364 HydrophobicContact CD1-CG 4.07Å; I258-W364 HydrophobicContact CG1-CB 4.26Å; I258-W364 HydrophobicContact CG1-CD2 3.9Å; I258-W364 HydrophobicContact CG1-CE3 4.42Å; I258-W364 HydrophobicContact CG1-CG 3.75Å; I258-W364 HydrophobicContact CG2-CD2 3.63Å; I258-W364 HydrophobicContact CG2-CE3 3.6Å; I258-W364 HydrophobicContact CG2-CG 4.39Å; I258-W364 HydrophobicContact CG2-CH2 3.68Å; I258-W364 HydrophobicContact CG2-CZ2 3.8Å; I258-W364 HydrophobicContact CG2-CZ3 3.57Å
259L87.9Confident85.7Confident1 Ų137.9 Ų37.91%0.00523%0.225CC..THydrogen-bonded Turntrans-65.3-26.4176.3-52.5174.5000112.7L249 E255 M257 E261 V262 I306 Y327 N330 A331L249-L259 HydrophobicContact CD2-CD1 3.61Å; E255-L259 WeakPolarHBondContact O-CG 3.43Å; E255-L259 PolarHBondContact O-N 2.94Å; M257-L259 VanDerWaalsContact C-N 3.33Å; M257-L259 PolarHBondContact O-N 3.5Å; L259-E261 PolarHBondContact O-N 3.17Å; L259-E261 VanDerWaalsContact O-N 3.15Å; L259-V262 HydrophobicContact CB-CG2 4.29Å; L259-I306 HydrophobicContact CB-CG1 4.33Å; L259-I306 HydrophobicContact CD1-CG1 4.28Å; L259-I306 HydrophobicContact CD2-CD1 4.44Å; L259-I306 HydrophobicContact CD2-CG1 4Å; L259-I306 HydrophobicContact CG-CG1 4.41Å; L259-Y327 HydrophobicContact CD2-CD1 4.1Å; L259-N330 HydrophobicContact CD2-CB 4.08Å; L259-A331 HydrophobicContact CD1-CB 3.92Å; L259-A331 HydrophobicContact CD2-CB 4.19Å
260G86.2Confident83.5Confident4 Ų439.8 Ų39.84%0.04125%0.249CC..  trans73.8-98.5178.100000113.7M257 I258 K357 Y361M257-G260 PolarHBondContact O-N 3.36Å; I258-G260 PolarHBondContact O-N 3.34Å; G260-K357 WeakPolarHBondContact O-CE 3.38Å; G260-K357 PolarHBondContact O-NZ 3.05Å; G260-Y361 VanDerWaalsContact CA-CE2 3.47Å
261E88.4Confident81.5Confident103 Ų10339.9 Ų39.948%0.48125%0.25SC..SBendtrans-106131-178.8-72178.8173.100110.5L259 T303 A304L259-E261 PolarHBondContact O-N 3.17Å; L259-E261 VanDerWaalsContact O-N 3.15Å; E261-T303 WeakPolarHBondContact OE2-CB 3.26Å; E261-T303 PolarHBondContact OE2-OG1 3.4Å; E261-A304 HydrophobicContact CB-CB 4.38Å; E261-A304 WeakPolarHBondContact O-CA 3.3Å; E261-A304 WeakPolarHBondContact O-CB 3.33Å
262V92.5Very high79Confident38 Ų3841.4 Ų41.423%0.2326%0.262CS..EExtended strand (participates in β ladder)trans-123.9118.1-169.6173.10000108.1L259 Y264 I306 F308L259-V262 HydrophobicContact CB-CG2 4.29Å; V262-Y264 HydrophobicContact CG1-CE1 4.47Å; V262-Y264 HydrophobicContact CG1-CE2 3.88Å; V262-I306 HydrophobicContact CG1-CG2 4.08Å; V262-I306 HydrophobicContact CG2-CB 4.41Å; V262-F308 HydrophobicContact CG1-CD2 3.48Å; V262-F308 VanDerWaalsContact CG1-CD2 3.48Å; V262-F308 HydrophobicContact CG1-CE2 3.63Å
263A93.7Very high76.3Confident9 Ų943.8 Ų43.87%0.07428%0.281CS..EExtended strand (participates in β ladder)trans-88.3155.5178.700000111.7A299 L300 A304 I306 L307 F308A263-A299 WeakPolarHBondContact CB-O 3.32Å; A263-L300 HydrophobicContact CB-CD1 4.47Å; A263-A304 HydrophobicContact CB-CB 3.99Å; A263-I306 PolarHBondContact N-O 3.36Å; A263-L307 HydrophobicContact CB-CB 4.43Å; A263-L307 HydrophobicContact CB-CD1 3.46Å; A263-L307 VanDerWaalsContact CB-CD1 3.46Å; A263-F308 PolarHBondContact O-N 3.23Å
264Y92.9Very high73.5Confident70 Ų7051.9 Ų51.928%0.27531%0.308SS..EExtended strand (participates in β ladder)trans-131.8120.4174.9-62.9-89.2000109.7G248 L249 V262 F308G248-Y264 WeakPolarHBondContact CA-OH 3.5Å; L249-Y264 PolarHBondContact N-OH 3.14Å; V262-Y264 HydrophobicContact CG1-CE1 4.47Å; V262-Y264 HydrophobicContact CG1-CE2 3.88Å; Y264-F308 WeakPolarHBondContact CA-O 3.3Å; Y264-F308 HydrophobicContact CD1-CB 3.64Å; Y264-F308 HydrophobicContact CD1-CD2 4.48Å; Y264-F308 HydrophobicContact CD1-CG 4.31Å; Y264-F308 HydrophobicContact CE1-CB 3.8Å; Y264-F308 AromaticContact CE1-CD2 3.87Å; Y264-F308 HydrophobicContact CE1-CD2 3.87Å; Y264-F308 AromaticContact CE1-CG 3.96Å; Y264-F308 HydrophobicContact CE1-CG 3.96Å
265Y89.5Confident70.6Confident12 Ų1254.2 Ų54.25%0.04733%0.325CS..EExtended strand (participates in β ladder)trans-109.7135.9173.1177.1-111.3000110.1P267 V296 A299 F308 L309 R310Y265-P267 HydrophobicContact CE1-CB 4.03Å; Y265-V296 HydrophobicContact CD1-CG2 4.41Å; Y265-V296 HydrophobicContact CD2-CG2 4.22Å; Y265-V296 HydrophobicContact CE1-CG2 3.99Å; Y265-V296 HydrophobicContact CE2-CG2 3.81Å; Y265-A299 HydrophobicContact CD2-CB 4.05Å; Y265-F308 PolarHBondContact N-O 3.13Å; Y265-L309 HydrophobicContact CD1-CD2 3.84Å; Y265-R310 WeakPolarHBondContact O-CG 3.18Å; Y265-R310 PolarHBondContact O-N 3.45Å
266T85.7Confident67.7Low88 Ų8857.1 Ų57.154%0.5434%0.341SS..  trans-108.7115.3171.1-50.90000106.6S268 R310T266-S268 PolarHBondContact O-N 3.37Å; T266-S268 VanDerWaalsContact O-N 3.13Å; T266-R310 HydrophobicContact CG2-CB 4.35Å; T266-R310 WeakPolarHBondContact OG1-CG 3.41Å
267P72.6Confident64.8Low20 Ų2061.8 Ų61.813%0.1337%0.374CS..  trans-64.7116.8-178.126.8-34.2000110Y265 G269 L271 L312Y265-P267 HydrophobicContact CE1-CB 4.03Å; P267-G269 CarbonylContact C-O 3.5Å; P267-G269 WeakPolarHBondContact CB-O 3.35Å; P267-G269 CarbonylContact O-C 3.56Å; P267-G269 PolarHBondContact O-N 3.18Å; P267-L271 HydrophobicContact CB-CD1 3.83Å; P267-L271 HydrophobicContact CG-CD1 4.33Å; P267-L312 HydrophobicContact CG-CD1 4.21Å
268S62.2Low61.9Low112 Ų11266.4 Ų66.478%0.78340%0.399SS*.SBendtrans-77.770.3-174.4-72.40000111.3T266T266-S268 PolarHBondContact O-N 3.37Å; T266-S268 VanDerWaalsContact O-N 3.13Å
269G52.2Low59.6Low54 Ų5471.5 Ų71.556%0.55744%0.441SS*.SBendtrans112.7119-155.600000107.5P267P267-G269 CarbonylContact C-O 3.5Å; P267-G269 WeakPolarHBondContact CB-O 3.35Å; P267-G269 CarbonylContact O-C 3.56Å; P267-G269 PolarHBondContact O-N 3.18Å
270G46.4Very low56.9Low60 Ų6077.8 Ų77.862%0.61948%0.475SS*.  trans-59.6149.7179.200000110.9S272G270-S272 CarbonylContact O-C 3.57Å; G270-S272 WeakPolarHBondContact O-CA 3.5Å; G270-S272 PolarHBondContact O-N 3.48Å
271L48.3Very low54.3Low45 Ų4582.3 Ų82.324%0.23652%0.521CS..SBendtrans-54.1-2.9-155.5-128.969.6000119V213 L217 P267 C273 L312V213-L271 WeakPolarHBondContact CG1-O 3.22Å; L217-L271 HydrophobicContact CD2-CD1 4.47Å; L217-L271 HydrophobicContact CD2-CD2 4.42Å; P267-L271 HydrophobicContact CB-CD1 3.83Å; P267-L271 HydrophobicContact CG-CD1 4.33Å; L271-C273 PolarHBondContact O-N 3.14Å; L271-C273 VanDerWaalsContact O-N 3.13Å; L271-L312 HydrophobicContact CB-CD1 4.45Å; L271-L312 HydrophobicContact CD1-CD1 3.8Å; L271-L312 HydrophobicContact CD2-CD1 3.99Å; L271-L312 HydrophobicContact CG-CD1 4.31Å
272S38.2Very low51.6Low65 Ų6584.3 Ų84.346%0.45554%0.535SS..SBendtrans-63.4109.3154-1740000108.6G270 R274G270-S272 CarbonylContact O-C 3.57Å; G270-S272 WeakPolarHBondContact O-CA 3.5Å; G270-S272 PolarHBondContact O-N 3.48Å; S272-R274 WeakPolarHBondContact O-CA 3.45Å; S272-R274 PolarHBondContact O-N 2.93Å
273C31Very low48.9Very low93 Ų9391.5 Ų91.563%0.62856%0.564SS**  trans-44112.7143.852.30000106.2L271 T275L271-C273 PolarHBondContact O-N 3.14Å; L271-C273 VanDerWaalsContact O-N 3.13Å; C273-T275 PolarHBondContact O-N 3.36Å; C273-T275 VanDerWaalsContact O-N 3.1Å
274R30Very low45.9Very low192 Ų19294.3 Ų94.373%0.72559%0.593SS**  trans-70.9121.4-149.8-156.4169.982-164.36.1109S272 N276S272-R274 WeakPolarHBondContact O-CA 3.45Å; S272-R274 PolarHBondContact O-N 2.93Å; R274-N276 PolarHBondContact NE-OD1 3.44Å; R274-N276 PolarHBondContact NH2-OD1 2.78Å; R274-N276 PolarHBondContact O-N 2.71Å
275T27.4Very low43.3Very low114 Ų11496.9 Ų96.970%0.69961%0.612SS**  trans-68.176.2161.3540000107.9C273 S277C273-T275 PolarHBondContact O-N 3.36Å; C273-T275 VanDerWaalsContact O-N 3.1Å; T275-S277 PolarHBondContact O-N 3.09Å
276N29Very low41.3Very low92 Ų92102.9 Ų102.949%0.49264%0.643SS.*  trans-6377.3147-71.7-26.5000106R274 D278R274-N276 PolarHBondContact NE-OD1 3.44Å; R274-N276 PolarHBondContact NH2-OD1 2.78Å; R274-N276 PolarHBondContact O-N 2.71Å; N276-D278 PolarHBondContact O-N 2.95Å
277S30.5Very low39.4Very low104 Ų104105.7 Ų105.773%0.72765%0.648SS**  trans-71.264.4158.160.20000107.8T275T275-S277 PolarHBondContact O-N 3.09Å
278D28.2Very low39Very low118 Ų118111.1 Ų111.163%0.63168%0.676SS**  trans-50.9139.3145.3-66.9-22.8000105.6N276 N280N276-D278 PolarHBondContact O-N 2.95Å; D278-N280 PolarHBondContact O-N 3.33Å
279A39.4Very low39.1Very low107 Ų107109.5 Ų109.588%0.88465%0.653SS**SBendtrans-6912.3-16200000115.7
280N31.7Very low39.8Very low134 Ų134110.2 Ų110.272%0.71765%0.654SS**SBendtrans-105.1114.9174.2-49.9-49.8000107.6D278 D282D278-N280 PolarHBondContact O-N 3.33Å; N280-D282 PolarHBondContact O-N 3.16Å
281G30.6Very low41.1Very low98 Ų98110 Ų110100%1.0165%0.646SS**  trans-73.850.1-173.500000115.4
282D31.5Very low42.2Very low145 Ų145110.5 Ų110.578%0.77565%0.647SS**  trans-93.9145.6172.9-162.46.9000110.3N280 G284N280-D282 PolarHBondContact O-N 3.16Å; D282-G284 PolarHBondContact O-N 3.08Å
283F36Very low44Very low190 Ų190108.4 Ų108.483%0.83363%0.632SS**  trans-81.391.6-179.6-120.6-91.1000108.6D285F283-D285 PolarHBondContact O-N 2.82Å
284G30.4Very low46.3Very low68 Ų68106.6 Ų106.670%0.70162%0.624SS**  trans-41.1122.3-174.500000113.7D282D282-G284 PolarHBondContact O-N 3.08Å
285D38.3Very low48.9Very low123 Ų12399.9 Ų99.966%0.65861%0.605SS**  trans-51.6142.4-165.2-150.24.6000114.1F283 K287F283-D285 PolarHBondContact O-N 2.82Å; D285-K287 PolarHBondContact O-N 2.89Å; D285-K287 WeakPolarHBondContact OD2-CE 3.34Å; D285-K287 IonicContact OD2-NZ 2.7Å
286I47.6Very low51.7Low139 Ų13994.5 Ų94.571%0.71357%0.571SS**SBendtrans-76.166.5-174-54.9177.1000110.3W289I286-W289 HydrophobicContact CG2-CB 3.41Å; I286-W289 VanDerWaalsContact CG2-CB 3.41Å; I286-W289 HydrophobicContact CG2-CG 3.92Å
287K46.9Very low54.4Low146 Ų14692.5 Ų92.564%0.63557%0.565SS**  trans-95.5-39.7179.8-78.4176.3179.9157.60113.2D285 W289D285-K287 PolarHBondContact O-N 2.89Å; D285-K287 WeakPolarHBondContact OD2-CE 3.34Å; D285-K287 IonicContact OD2-NZ 2.7Å; K287-W289 VanDerWaalsContact C-N 3.3Å; K287-W289 PolarHBondContact O-N 3.24Å
288D62.4Low57.1Low135 Ų13595.4 Ų95.472%0.72257%0.567SS**Hα-helixtrans-75.8-20.1-176.3-63.1-17.2000112.5A290 A291 E292D288-A290 PolarHBondContact O-N 3.45Å; D288-A291 CarbonylContact O-C 3.58Å; D288-A291 WeakPolarHBondContact O-CA 3.4Å; D288-A291 WeakPolarHBondContact O-CB 3.39Å; D288-A291 PolarHBondContact O-N 3.1Å; D288-E292 PolarHBondContact O-N 2.96Å
289W64.4Low60Low77 Ų7791.4 Ų91.429%0.29255%0.55SS.*Hα-helixtrans-52.9-45.7175.7174-110.8000114A216 A220 I286 K287 A291 E292 C293A216-W289 HydrophobicContact CB-CZ3 3.79Å; A216-W289 WeakPolarHBondContact O-CH2 3.31Å; A216-W289 WeakPolarHBondContact O-CZ3 3.37Å; A220-W289 HydrophobicContact CB-CH2 3.84Å; A220-W289 HydrophobicContact CB-CZ3 3.95Å; A220-W289 VanDerWaalsContact N-CH2 3.33Å; I286-W289 HydrophobicContact CG2-CB 3.41Å; I286-W289 VanDerWaalsContact CG2-CB 3.41Å; I286-W289 HydrophobicContact CG2-CG 3.92Å; K287-W289 VanDerWaalsContact C-N 3.3Å; K287-W289 PolarHBondContact O-N 3.24Å; W289-A291 PolarHBondContact O-N 3.18Å; W289-E292 PolarHBondContact O-N 2.95Å; W289-C293 VanDerWaalsContact CE2-SG 3.55Å; W289-C293 WeakPolarHBondContact O-CB 3.37Å; W289-C293 PolarHBondContact O-N 2.56Å; W289-C293 PolarHBondContact O-SG 2.67Å
290A67.4Low62.2Low70 Ų7086.5 Ų86.558%0.57951%0.509SS*.Hα-helixtrans-67.7-28.8179.600000111.8D288 A294D288-A290 PolarHBondContact O-N 3.45Å; A290-A294 WeakPolarHBondContact O-CB 3.38Å; A290-A294 PolarHBondContact O-N 3.18Å
291A75Confident64.7Low55 Ų5581.3 Ų81.346%0.45549%0.487SS..Hα-helixtrans-76.5-40.3173.200000111.7D288 W289 A294 T295D288-A291 CarbonylContact O-C 3.58Å; D288-A291 WeakPolarHBondContact O-CA 3.4Å; D288-A291 WeakPolarHBondContact O-CB 3.39Å; D288-A291 PolarHBondContact O-N 3.1Å; W289-A291 PolarHBondContact O-N 3.18Å; A291-A294 WeakPolarHBondContact O-CB 3.13Å; A291-A294 PolarHBondContact O-N 3.46Å; A291-A294 VanDerWaalsContact O-N 3.17Å; A291-T295 WeakPolarHBondContact O-CG2 3.49Å; A291-T295 PolarHBondContact O-N 3.03Å; A291-T295 PolarHBondContact O-OG1 3.04Å
292E70.9Confident67.4Low55 Ų5582 Ų8226%0.25747%0.474SS..Hα-helixtrans-62.7-46.4174.7-177.6169.1-151.800111.7D288 W289 A294 T295 V296D288-E292 PolarHBondContact O-N 2.96Å; W289-E292 PolarHBondContact O-N 2.95Å; E292-A294 PolarHBondContact O-N 2.94Å; E292-T295 PolarHBondContact O-N 2.94Å; E292-T295 PolarHBondContact O-OG1 2.85Å; E292-T295 VanDerWaalsContact O-OG1 3.11Å; E292-V296 HydrophobicContact CG-CG2 4.26Å; E292-V296 VanDerWaalsContact O-CB 3.3Å; E292-V296 WeakPolarHBondContact O-CB 3.13Å; E292-V296 VanDerWaalsContact O-CG2 3.25Å; E292-V296 WeakPolarHBondContact O-CG2 3.3Å; E292-V296 PolarHBondContact O-N 2.79Å
293C74.9Confident70Confident21 Ų2178.4 Ų78.414%0.14246%0.457CS..Hα-helixtrans-57-37.1171.9-70.70000112.3A220 W289 S297A220-C293 VanDerWaalsContact CB-SG 3.58Å; W289-C293 VanDerWaalsContact CE2-SG 3.55Å; W289-C293 WeakPolarHBondContact O-CB 3.37Å; W289-C293 PolarHBondContact O-N 2.56Å; W289-C293 PolarHBondContact O-SG 2.67Å; C293-S297 WeakPolarHBondContact O-CB 3.29Å; C293-S297 PolarHBondContact O-N 3.36Å
294A80.5Confident72.6Confident56 Ų5669.7 Ų69.746%0.46342%0.42SS..Hα-helixtrans-70.6-46.3177.200000112.4A290 A291 E292 S297 E298A290-A294 WeakPolarHBondContact O-CB 3.38Å; A290-A294 PolarHBondContact O-N 3.18Å; A291-A294 WeakPolarHBondContact O-CB 3.13Å; A291-A294 PolarHBondContact O-N 3.46Å; A291-A294 VanDerWaalsContact O-N 3.17Å; E292-A294 PolarHBondContact O-N 2.94Å; A294-S297 PolarHBondContact O-N 2.76Å; A294-E298 WeakPolarHBondContact O-CB 3.04Å; A294-E298 PolarHBondContact O-N 2.97Å
295T84.2Confident75.5Confident51 Ų5167.9 Ų67.931%0.31339%0.392SS..Hα-helixtrans-69.6-34.4179.4570000112.5A291 E292 A299A291-T295 WeakPolarHBondContact O-CG2 3.49Å; A291-T295 PolarHBondContact O-N 3.03Å; A291-T295 PolarHBondContact O-OG1 3.04Å; E292-T295 PolarHBondContact O-N 2.94Å; E292-T295 PolarHBondContact O-OG1 2.85Å; E292-T295 VanDerWaalsContact O-OG1 3.11Å; T295-A299 VanDerWaalsContact O-CB 3.24Å; T295-A299 WeakPolarHBondContact O-CB 3.18Å; T295-A299 PolarHBondContact O-N 3.39Å
296V85Confident78.1Confident0 Ų062 Ų620%036%0.361CS..Hα-helixtrans-66.6-41.5171.91700000110.9L217 V221 Y265 E292 A299 L300L217-V296 HydrophobicContact CD1-CG2 4.23Å; V221-V296 HydrophobicContact CG2-CG1 3.58Å; Y265-V296 HydrophobicContact CD1-CG2 4.41Å; Y265-V296 HydrophobicContact CD2-CG2 4.22Å; Y265-V296 HydrophobicContact CE1-CG2 3.99Å; Y265-V296 HydrophobicContact CE2-CG2 3.81Å; E292-V296 HydrophobicContact CG-CG2 4.26Å; E292-V296 VanDerWaalsContact O-CB 3.3Å; E292-V296 WeakPolarHBondContact O-CB 3.13Å; E292-V296 VanDerWaalsContact O-CG2 3.25Å; E292-V296 WeakPolarHBondContact O-CG2 3.3Å; E292-V296 PolarHBondContact O-N 2.79Å; V296-A299 PolarHBondContact O-N 2.82Å; V296-L300 WeakPolarHBondContact O-CB 3.33Å; V296-L300 PolarHBondContact O-N 3.08Å
297S85.9Confident80.4Confident50 Ų5055.4 Ų55.435%0.3533%0.327SS..Hα-helixtrans-64-44.9175.5-170.10000112.3C293 A294 L300 G301C293-S297 WeakPolarHBondContact O-CB 3.29Å; C293-S297 PolarHBondContact O-N 3.36Å; A294-S297 PolarHBondContact O-N 2.76Å; S297-L300 PolarHBondContact O-N 2.94Å; S297-G301 PolarHBondContact O-N 3.02Å
298E87.8Confident82.6Confident166 Ų16648.5 Ų48.578%0.77630%0.297SS*.Hα-helixtrans-61.7-45.2175.4-175.5177-171.800111.9A294A294-E298 WeakPolarHBondContact O-CB 3.04Å; A294-E298 PolarHBondContact O-N 2.97Å
299A88.3Confident84Confident34 Ų3442 Ų4228%0.28126%0.262SS..Hα-helixtrans-67.9-36.1179.600000113.2A263 Y265 T295 V296A263-A299 WeakPolarHBondContact CB-O 3.32Å; Y265-A299 HydrophobicContact CD2-CB 4.05Å; T295-A299 VanDerWaalsContact O-CB 3.24Å; T295-A299 WeakPolarHBondContact O-CB 3.18Å; T295-A299 PolarHBondContact O-N 3.39Å; V296-A299 PolarHBondContact O-N 2.82Å
300L86.6Confident85.3Confident4 Ų441 Ų412%0.02126%0.258CS..Hα-helixtrans-78.7-38.5-177.3177.557.1000112.9V221 I228 A263 V296 S297 A304 L307 L317V221-L300 HydrophobicContact CG1-CD2 4.04Å; I228-L300 HydrophobicContact CD1-CD2 4.11Å; A263-L300 HydrophobicContact CB-CD1 4.47Å; V296-L300 WeakPolarHBondContact O-CB 3.33Å; V296-L300 PolarHBondContact O-N 3.08Å; S297-L300 PolarHBondContact O-N 2.94Å; L300-A304 HydrophobicContact CD1-CB 4.29Å; L300-A304 WeakPolarHBondContact O-CB 3.4Å; L300-L307 HydrophobicContact CD1-CB 4.35Å; L300-L317 HydrophobicContact CD1-CD1 3.42Å; L300-L317 VanDerWaalsContact CD1-CD1 3.42Å; L300-L317 HydrophobicContact CD2-CD1 3.93Å; L300-L317 HydrophobicContact CG-CD1 4.34Å
301G85Confident86.2Confident25 Ų2541.8 Ų41.826%0.25826%0.259SS..THydrogen-bonded Turntrans62.6-176.1-178.900000114.9R225 S297R225-G301 WeakPolarHBondContact CD-O 3.49Å; R225-G301 PolarHBondContact NH1-O 2.85Å; S297-G301 PolarHBondContact O-N 3.02Å
302P85.4Confident86.7Confident113 Ų11341.5 Ų41.573%0.73425%0.25SS*.THydrogen-bonded Turntrans-79.2-19.1-171.831.3-35.7000114.3
303T86.4Confident87.6Confident69 Ų6938.9 Ų38.942%0.42324%0.238SC..THydrogen-bonded Turntrans-120.7-30.6-161.6380000114.7E261E261-T303 WeakPolarHBondContact OE2-CB 3.26Å; E261-T303 PolarHBondContact OE2-OG1 3.4Å
304A90.7Very high88.5Confident6 Ų637.9 Ų37.95%0.0523%0.231CC..  trans-66143.5-178.300000111.1R225 E261 A263 L300R225-A304 PolarHBondContact NH1-O 2.93Å; E261-A304 HydrophobicContact CB-CB 4.38Å; E261-A304 WeakPolarHBondContact O-CA 3.3Å; E261-A304 WeakPolarHBondContact O-CB 3.33Å; A263-A304 HydrophobicContact CB-CB 3.99Å; L300-A304 HydrophobicContact CD1-CB 4.29Å; L300-A304 WeakPolarHBondContact O-CB 3.4Å
305R91.2Very high89.2Confident31 Ų3135.2 Ų35.212%0.11721%0.209CC..  trans-122.41.2177.8-68.8-179.2170.8176.7-17.1113.1L317 E319 E323 Y327R305-L317 WeakPolarHBondContact O-CB 3.5Å; R305-L317 PolarHBondContact O-N 2.89Å; R305-E319 IonicContact CZ-OE1 3.92Å; R305-E319 IonicContact NH2-OE1 3.75Å; R305-E319 PolarHBondContact NH2-OE1 1.96Å; R305-E323 IonicContact CZ-OE1 3.63Å; R305-E323 IonicContact NE-OE1 2.94Å; R305-E323 IonicContact NH1-OE1 3.27Å; R305-E323 PolarHBondContact NH1-OE1 2.82Å; R305-E323 IonicContact NH2-OE1 3.3Å; R305-Y327 HydrophobicContact CB-CD2 4.07Å; R305-Y327 HydrophobicContact CB-CE2 3.87Å; R305-Y327 VanDerWaalsContact CD-CE2 3.49Å; R305-Y327 VanDerWaalsContact CD-OH 3.32Å; R305-Y327 WeakPolarHBondContact CD-OH 3.48Å; R305-Y327 HydrophobicContact CG-CE2 4.26Å; R305-Y327 PolarHBondContact NH1-OH 2.91Å
306I94.6Very high89.7Confident0 Ų032.8 Ų32.80%019%0.194CC..EExtended strand (participates in β ladder)trans-125.5133.8169.8-69.3-59.9000108.2L259 V262 A263 F308 L314 A316 A331L259-I306 HydrophobicContact CB-CG1 4.33Å; L259-I306 HydrophobicContact CD1-CG1 4.28Å; L259-I306 HydrophobicContact CD2-CD1 4.44Å; L259-I306 HydrophobicContact CD2-CG1 4Å; L259-I306 HydrophobicContact CG-CG1 4.41Å; V262-I306 HydrophobicContact CG1-CG2 4.08Å; V262-I306 HydrophobicContact CG2-CB 4.41Å; A263-I306 PolarHBondContact N-O 3.36Å; I306-F308 HydrophobicContact CG2-CD2 3.86Å; I306-F308 HydrophobicContact CG2-CE2 3.74Å; I306-L314 HydrophobicContact CD1-CD1 4.44Å; I306-L314 HydrophobicContact CG2-CD1 3.46Å; I306-L314 VanDerWaalsContact CG2-CD1 3.46Å; I306-A316 HydrophobicContact CD1-CB 3.81Å; I306-A331 HydrophobicContact CD1-CB 4Å
307L94.1Very high90.2Very high0 Ų032.9 Ų32.90%019%0.194CC..EExtended strand (participates in β ladder)trans-126.2114.6172.8177.264000109.3A263 L300 L315 L317A263-L307 HydrophobicContact CB-CB 4.43Å; A263-L307 HydrophobicContact CB-CD1 3.46Å; A263-L307 VanDerWaalsContact CB-CD1 3.46Å; L300-L307 HydrophobicContact CD1-CB 4.35Å; L307-L315 HydrophobicContact CB-CB 4.2Å; L307-L315 HydrophobicContact CD2-CD1 4.01Å; L307-L315 HydrophobicContact CG-CD1 4.49Å; L307-L315 PolarHBondContact N-O 3.34Å; L307-L315 PolarHBondContact O-N 3.25Å; L307-L317 HydrophobicContact CB-CD1 4.45Å
308F94.5Very high90.5Very high0 Ų030.6 Ų30.60%018%0.179CC..EExtended strand (participates in β ladder)trans-83.9129.4171.4-80.2-91.6000110.4I242 L249 V262 A263 Y264 Y265 I306 L314I242-F308 HydrophobicContact CB-CE1 4.48Å; I242-F308 HydrophobicContact CG2-CE1 3.93Å; I242-F308 HydrophobicContact CG2-CZ 4.11Å; L249-F308 HydrophobicContact CB-CE2 4Å; L249-F308 HydrophobicContact CB-CZ 4.11Å; L249-F308 HydrophobicContact CD2-CE2 4.15Å; L249-F308 HydrophobicContact CD2-CZ 4.24Å; V262-F308 HydrophobicContact CG1-CD2 3.48Å; V262-F308 VanDerWaalsContact CG1-CD2 3.48Å; V262-F308 HydrophobicContact CG1-CE2 3.63Å; A263-F308 PolarHBondContact O-N 3.23Å; Y264-F308 WeakPolarHBondContact CA-O 3.3Å; Y264-F308 HydrophobicContact CD1-CB 3.64Å; Y264-F308 HydrophobicContact CD1-CD2 4.48Å; Y264-F308 HydrophobicContact CD1-CG 4.31Å; Y264-F308 HydrophobicContact CE1-CB 3.8Å; Y264-F308 AromaticContact CE1-CD2 3.87Å; Y264-F308 HydrophobicContact CE1-CD2 3.87Å; Y264-F308 AromaticContact CE1-CG 3.96Å; Y264-F308 HydrophobicContact CE1-CG 3.96Å; Y265-F308 PolarHBondContact N-O 3.13Å; I306-F308 HydrophobicContact CG2-CD2 3.86Å; I306-F308 HydrophobicContact CG2-CE2 3.74Å; F308-L314 HydrophobicContact CD1-CD1 4.02Å; F308-L314 HydrophobicContact CD2-CD1 4.08Å; F308-L314 HydrophobicContact CE1-CD1 3.78Å; F308-L314 HydrophobicContact CE2-CD1 3.83Å; F308-L314 HydrophobicContact CG-CD1 4.18Å; F308-L314 HydrophobicContact CZ-CD1 3.68Å
309L91.5Very high90.6Very high0 Ų026.3 Ų26.30%016%0.159CC..EExtended strand (participates in β ladder)trans-93.8111.2172.8-59176000108.3L217 H233 S243 Y265 S311 L312 G313 L315L217-L309 HydrophobicContact CD2-CD1 3.48Å; L217-L309 VanDerWaalsContact CD2-CD1 3.48Å; L217-L309 HydrophobicContact CD2-CD2 3.95Å; L217-L309 HydrophobicContact CD2-CG 4.37Å; H233-L309 VanDerWaalsContact NE2-CD1 3.31Å; H233-L309 WeakPolarHBondContact NE2-CD1 3.3Å; S243-L309 VanDerWaalsContact CB-O 3.28Å; S243-L309 WeakPolarHBondContact CB-O 3.01Å; S243-L309 PolarHBondContact OG-O 3.37Å; Y265-L309 HydrophobicContact CD1-CD2 3.84Å; L309-S311 PolarHBondContact O-N 3.23Å; L309-L312 HydrophobicContact CB-CB 3.85Å; L309-L312 HydrophobicContact CB-CD1 4.28Å; L309-L312 PolarHBondContact O-N 2.96Å; L309-G313 PolarHBondContact N-O 3.03Å; L309-G313 PolarHBondContact O-N 2.89Å; L309-L315 HydrophobicContact CD1-CD1 3.96Å; L309-L315 HydrophobicContact CD1-CG 4.08Å; L309-L315 HydrophobicContact CD2-CD1 3.91Å; L309-L315 HydrophobicContact CG-CD1 4.05Å; L309-L315 HydrophobicContact CG-CG 4.31Å
310R90.8Very high90.8Very high56 Ų5625.8 Ų25.821%0.21115%0.152CC..THydrogen-bonded Turntrans-54.1126-177.6-69-59-168.5171.80.5111S243 M245 Y265 T266 L312S243-R310 WeakPolarHBondContact O-CD 3.36Å; S243-R310 PolarHBondContact O-NH1 3.35Å; M245-R310 PolarHBondContact O-NH1 3.3Å; Y265-R310 WeakPolarHBondContact O-CG 3.18Å; Y265-R310 PolarHBondContact O-N 3.45Å; T266-R310 HydrophobicContact CG2-CB 4.35Å; T266-R310 WeakPolarHBondContact OG1-CG 3.41Å; R310-L312 VanDerWaalsContact C-N 3.27Å; R310-L312 PolarHBondContact O-N 3.03Å
311S86.4Confident91.1Very high85 Ų8525.8 Ų25.859%0.59415%0.152SC*.THydrogen-bonded Turntrans64.215.8-177.767.40000117.2S243 L309S243-S311 WeakPolarHBondContact OG-CA 3.44Å; S243-S311 PolarHBondContact OG-N 2.64Å; L309-S311 PolarHBondContact O-N 3.23Å
312L85.9Confident91.5Very high50 Ų5025.4 Ų25.426%0.26214%0.144SC..THydrogen-bonded Turntrans-125.2-59.8179.1-71.5161.4000111.6V240 P267 L271 L309 R310V240-L312 WeakPolarHBondContact CG2-O 3.17Å; P267-L312 HydrophobicContact CG-CD1 4.21Å; L271-L312 HydrophobicContact CB-CD1 4.45Å; L271-L312 HydrophobicContact CD1-CD1 3.8Å; L271-L312 HydrophobicContact CD2-CD1 3.99Å; L271-L312 HydrophobicContact CG-CD1 4.31Å; L309-L312 HydrophobicContact CB-CB 3.85Å; L309-L312 HydrophobicContact CB-CD1 4.28Å; L309-L312 PolarHBondContact O-N 2.96Å; R310-L312 VanDerWaalsContact C-N 3.27Å; R310-L312 PolarHBondContact O-N 3.03Å
313G90.4Very high91.8Very high0 Ų020.7 Ų20.70%011%0.112CC..EExtended strand (participates in β ladder)trans161-139.4-173.700000114.4D235 L309D235-G313 WeakPolarHBondContact OD1-CA 3.42Å; L309-G313 PolarHBondContact N-O 3.03Å; L309-G313 PolarHBondContact O-N 2.89Å
314L93.6Very high92.2Very high0 Ų017.4 Ų17.40%09%0.092CC..EExtended strand (participates in β ladder)trans-131.9132.1-165-176.276.9000112.3H233 L234 T239 I306 F308 A331H233-L314 WeakPolarHBondContact CA-O 3.49Å; H233-L314 PolarHBondContact CD2-O 3.22Å; L234-L314 PolarHBondContact N-O 3.45Å; L234-L314 PolarHBondContact O-N 3Å; T239-L314 HydrophobicContact CG2-CB 3.85Å; T239-L314 HydrophobicContact CG2-CD2 3.77Å; T239-L314 HydrophobicContact CG2-CG 4.32Å; I306-L314 HydrophobicContact CD1-CD1 4.44Å; I306-L314 HydrophobicContact CG2-CD1 3.46Å; I306-L314 VanDerWaalsContact CG2-CD1 3.46Å; F308-L314 HydrophobicContact CD1-CD1 4.02Å; F308-L314 HydrophobicContact CD2-CD1 4.08Å; F308-L314 HydrophobicContact CE1-CD1 3.78Å; F308-L314 HydrophobicContact CE2-CD1 3.83Å; F308-L314 HydrophobicContact CG-CD1 4.18Å; F308-L314 HydrophobicContact CZ-CD1 3.68Å; L314-A331 HydrophobicContact CD1-CB 4.41Å; L314-A331 HydrophobicContact CD2-CB 3.59Å
315L94.3Very high92.4Very high0 Ų017.2 Ų17.20%09%0.09CC..EExtended strand (participates in β ladder)trans-107.8118.5163.9-68.8167.7000110L217 H218 V221 I231 H233 L307 L309 L317L217-L315 HydrophobicContact CD2-CD1 4.18Å; L217-L315 HydrophobicContact CG-CD1 4.32Å; H218-L315 WeakPolarHBondContact NE2-CD2 3.18Å; V221-L315 HydrophobicContact CG2-CD1 4.46Å; I231-L315 HydrophobicContact CG2-CD2 3.66Å; H233-L315 HydrophobicContact CB-CD2 3.97Å; H233-L315 WeakPolarHBondContact CD2-CD2 3.47Å; L307-L315 HydrophobicContact CB-CB 4.2Å; L307-L315 HydrophobicContact CD2-CD1 4.01Å; L307-L315 HydrophobicContact CG-CD1 4.49Å; L307-L315 PolarHBondContact N-O 3.34Å; L307-L315 PolarHBondContact O-N 3.25Å; L309-L315 HydrophobicContact CD1-CD1 3.96Å; L309-L315 HydrophobicContact CD1-CG 4.08Å; L309-L315 HydrophobicContact CD2-CD1 3.91Å; L309-L315 HydrophobicContact CG-CD1 4.05Å; L309-L315 HydrophobicContact CG-CG 4.31Å; L315-L317 HydrophobicContact CB-CD2 4.42Å
316A95.2Very high92.4Very high0 Ų015.8 Ų15.80%08%0.084CC..EExtended strand (participates in β ladder)trans-101.9132.1172.500000111I231 I232 I306 A328I231-A316 WeakPolarHBondContact CA-O 3.11Å; I232-A316 HydrophobicContact CB-CB 4.46Å; I232-A316 PolarHBondContact N-O 2.89Å; I232-A316 PolarHBondContact O-N 2.97Å; I306-A316 HydrophobicContact CD1-CB 3.81Å; A316-A328 HydrophobicContact CB-CB 3.92Å
317L94.9Very high92.4Very high1 Ų115.8 Ų15.81%0.0058%0.084CC..EExtended strand (participates in β ladder)trans-126.5129-163.5-50.4171.7000110.9V221 I228 I231 L300 R305 L307 L315 Y327V221-L317 HydrophobicContact CG1-CD1 4.44Å; V221-L317 HydrophobicContact CG1-CD2 3.86Å; I228-L317 HydrophobicContact CD1-CB 4Å; I228-L317 HydrophobicContact CD1-CD1 3.94Å; I228-L317 HydrophobicContact CD1-CD2 4.31Å; I228-L317 HydrophobicContact CD1-CG 4.31Å; I228-L317 HydrophobicContact CG1-CB 4.3Å; I228-L317 HydrophobicContact CG2-CB 4.31Å; I228-L317 HydrophobicContact CG2-CD2 4.48Å; I231-L317 HydrophobicContact CB-CD2 4.18Å; I231-L317 HydrophobicContact CD1-CD2 4.25Å; I231-L317 HydrophobicContact CG1-CD2 3.77Å; I231-L317 HydrophobicContact CG2-CD2 3.76Å; L300-L317 HydrophobicContact CD1-CD1 3.42Å; L300-L317 VanDerWaalsContact CD1-CD1 3.42Å; L300-L317 HydrophobicContact CD2-CD1 3.93Å; L300-L317 HydrophobicContact CG-CD1 4.34Å; R305-L317 WeakPolarHBondContact O-CB 3.5Å; R305-L317 PolarHBondContact O-N 2.89Å; L307-L317 HydrophobicContact CB-CD1 4.45Å; L315-L317 HydrophobicContact CB-CD2 4.42Å; L317-Y327 WeakPolarHBondContact O-CD2 3.46Å
318G92Very high92.4Very high2 Ų215.8 Ų15.82%0.0218%0.084CC..EExtended strand (participates in β ladder)trans-147.5154.9-179.600000114.8R229 C230 T320R229-G318 PolarHBondContact N-O 2.87Å; C230-G318 PolarHBondContact N-O 3.44Å; C230-G318 PolarHBondContact O-N 3.15Å; G318-T320 PolarHBondContact O-N 3.29Å
319E90.9Very high92.4Very high77 Ų7716.8 Ų16.836%0.369%0.09SC..SBendtrans-71.8-19.2173.2-62.9176.8-138.400111.9R229 R305 E323R229-E319 WeakPolarHBondContact CB-O 3.25Å; R229-E319 WeakPolarHBondContact CD-O 3.44Å; R305-E319 IonicContact CZ-OE1 3.92Å; R305-E319 IonicContact NH2-OE1 3.75Å; R305-E319 PolarHBondContact NH2-OE1 1.96Å; E319-E323 WeakPolarHBondContact CB-OE2 3.45Å; E319-E323 PolarHBondContact N-OE2 3.37Å
320T91.8Very high92.4Very high23 Ų2317 Ų1714%0.1419%0.092CC..SBendtrans-135.4169.6171.887.90000111G318 E322 E323 A324G318-T320 PolarHBondContact O-N 3.29Å; T320-E322 VanDerWaalsContact C-N 3.34Å; T320-E322 WeakPolarHBondContact CB-OE2 3.39Å; T320-E322 PolarHBondContact OG1-N 3.28Å; T320-E322 PolarHBondContact OG1-OE2 3.17Å; T320-E323 PolarHBondContact OG1-N 3.29Å; T320-A324 PolarHBondContact O-N 3.27Å; T320-A324 VanDerWaalsContact O-N 3.13Å
321I94.5Very high92.6Very high4 Ų414.3 Ų14.32%0.0218%0.081CC..Hα-helixtrans-70.1-38-179.9-61.4171.2000110L139 K142 V146 V165 C230 A324 W325 F425L139-I321 HydrophobicContact CD2-CD1 3.98Å; K142-I321 HydrophobicContact CB-CD1 3.63Å; V146-I321 HydrophobicContact CG2-CG2 3.5Å; V146-I321 VanDerWaalsContact CG2-CG2 3.5Å; V165-I321 HydrophobicContact CG1-CD1 4.22Å; V165-I321 HydrophobicContact CG1-CG1 4.42Å; V165-I321 HydrophobicContact CG2-CD1 4Å; V165-I321 HydrophobicContact CG2-CG1 3.95Å; C230-I321 HydrophobicContact CB-CG1 4.14Å; I321-A324 PolarHBondContact O-N 2.88Å; I321-W325 VanDerWaalsContact O-CB 3.27Å; I321-W325 WeakPolarHBondContact O-CB 3.45Å; I321-W325 PolarHBondContact O-N 3.33Å; I321-F425 HydrophobicContact CG2-CE2 4.22Å; I321-F425 HydrophobicContact CG2-CZ 4.39Å
322E92.6Very high93Very high17 Ų1710.4 Ų10.48%0.0795%0.054CC..Hα-helixtrans-64.8-42.2178.6-53.482.2175.800111.6K142 T320 H326 F425K142-E322 WeakPolarHBondContact CD-OE1 3.49Å; K142-E322 WeakPolarHBondContact CE-OE1 3.44Å; K142-E322 IonicContact NZ-OE1 3.75Å; K142-E322 PolarHBondContact NZ-OE1 3.06Å; T320-E322 VanDerWaalsContact C-N 3.34Å; T320-E322 WeakPolarHBondContact CB-OE2 3.39Å; T320-E322 PolarHBondContact OG1-N 3.28Å; T320-E322 PolarHBondContact OG1-OE2 3.17Å; E322-H326 PolarHBondContact O-N 3.03Å; E322-H326 VanDerWaalsContact O-N 3.08Å; E322-F425 HydrophobicContact CB-CB 3.99Å; E322-F425 HydrophobicContact CB-CD2 4.44Å; E322-F425 HydrophobicContact CB-CG 4.16Å; E322-F425 HydrophobicContact CG-CB 3.81Å; E322-F425 HydrophobicContact CG-CD1 3.76Å; E322-F425 HydrophobicContact CG-CD2 4.17Å; E322-F425 HydrophobicContact CG-CE1 4.36Å; E322-F425 HydrophobicContact CG-CG 3.64Å
323E91.8Very high93.3Very high13 Ų1310.9 Ų10.96%0.0616%0.059CC..Hα-helixtrans-67.5-47.3174.9173.3175.3-137.600111.7R305 E319 T320 W325 H326 Y327 L420R305-E323 IonicContact CZ-OE1 3.63Å; R305-E323 IonicContact NE-OE1 2.94Å; R305-E323 IonicContact NH1-OE1 3.27Å; R305-E323 PolarHBondContact NH1-OE1 2.82Å; R305-E323 IonicContact NH2-OE1 3.3Å; E319-E323 WeakPolarHBondContact CB-OE2 3.45Å; E319-E323 PolarHBondContact N-OE2 3.37Å; T320-E323 PolarHBondContact OG1-N 3.29Å; E323-W325 VanDerWaalsContact C-N 3.27Å; E323-W325 PolarHBondContact O-N 3.01Å; E323-H326 PolarHBondContact O-N 2.79Å; E323-H326 VanDerWaalsContact O-N 3.14Å; E323-Y327 HydrophobicContact CG-CD2 3.92Å; E323-Y327 HydrophobicContact CG-CE2 3.22Å; E323-Y327 VanDerWaalsContact O-CD2 3.3Å; E323-Y327 WeakPolarHBondContact O-CD2 3.45Å; E323-Y327 PolarHBondContact O-N 3.26Å; E323-Y327 VanDerWaalsContact O-N 3.09Å; E323-Y327 WeakPolarHBondContact OE1-CE2 3.36Å; E323-Y327 PolarHBondContact OE1-OH 3.01Å; E323-L420 HydrophobicContact CG-CD2 4.35Å; E323-L420 WeakPolarHBondContact OE1-CD2 3.42Å
324A94.4Very high93.5Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-61-38.8178.700000111.6C230 I232 T320 I321 Y327 A328C230-A324 HydrophobicContact CB-CB 3.81Å; I232-A324 HydrophobicContact CD1-CB 4.01Å; I232-A324 HydrophobicContact CG1-CB 4.07Å; T320-A324 PolarHBondContact O-N 3.27Å; T320-A324 VanDerWaalsContact O-N 3.13Å; I321-A324 PolarHBondContact O-N 2.88Å; A324-Y327 PolarHBondContact O-N 3.42Å; A324-A328 PolarHBondContact O-N 3.39Å; A324-A328 VanDerWaalsContact O-N 3.09Å
325W94.6Very high93.5Very high2 Ų211 Ų111%0.0086%0.059CC..Hα-helixtrans-61.4-43.8173.6-178.4-97.8000112.3V146 L149 I150 F153 W155 I232 I321 E323 Y327 A328 T329 F425 M428V146-W325 HydrophobicContact CG1-CE3 3.89Å; V146-W325 HydrophobicContact CG1-CZ3 4.05Å; V146-W325 HydrophobicContact CG2-CE3 4.3Å; L149-W325 HydrophobicContact CB-CH2 3.52Å; L149-W325 HydrophobicContact CB-CZ2 3.78Å; L149-W325 HydrophobicContact CB-CZ3 4.05Å; L149-W325 HydrophobicContact CD1-CD2 4.23Å; L149-W325 HydrophobicContact CD1-CH2 4.37Å; L149-W325 HydrophobicContact CD1-CZ2 3.96Å; L149-W325 HydrophobicContact CG-CZ2 4.47Å; I150-W325 HydrophobicContact CD1-CZ3 4.4Å; I150-W325 HydrophobicContact CG1-CH2 4.13Å; I150-W325 HydrophobicContact CG1-CZ3 3.62Å; F153-W325 AromaticContact CD2-CH2 3.96Å; F153-W325 HydrophobicContact CD2-CH2 3.96Å; F153-W325 AromaticContact CD2-CZ2 3.73Å; F153-W325 HydrophobicContact CD2-CZ2 3.73Å; F153-W325 HydrophobicContact CE2-CH2 4.33Å; F153-W325 AromaticContact CE2-CZ2 3.66Å; F153-W325 HydrophobicContact CE2-CZ2 3.66Å; W155-W325 AromaticContact CE3-CH2 3.9Å; W155-W325 HydrophobicContact CE3-CH2 3.9Å; W155-W325 HydrophobicContact CE3-CZ3 4.5Å; W155-W325 HydrophobicContact CH2-CH2 4.37Å; W155-W325 HydrophobicContact CH2-CZ2 4.27Å; W155-W325 AromaticContact CZ3-CH2 3.44Å; W155-W325 HydrophobicContact CZ3-CH2 3.44Å; W155-W325 VanDerWaalsContact CZ3-CH2 3.44Å; W155-W325 AromaticContact CZ3-CZ2 3.73Å; W155-W325 HydrophobicContact CZ3-CZ2 3.73Å; W155-W325 HydrophobicContact CZ3-CZ3 4.15Å; I232-W325 HydrophobicContact CD1-CB 4.31Å; I232-W325 HydrophobicContact CD1-CE3 4.09Å; I321-W325 VanDerWaalsContact O-CB 3.27Å; I321-W325 WeakPolarHBondContact O-CB 3.45Å; I321-W325 PolarHBondContact O-N 3.33Å; E323-W325 VanDerWaalsContact C-N 3.27Å; E323-W325 PolarHBondContact O-N 3.01Å; W325-Y327 PolarHBondContact O-N 2.76Å; W325-A328 WeakPolarHBondContact O-CB 3.41Å; W325-A328 PolarHBondContact O-N 3.15Å; W325-A328 VanDerWaalsContact O-N 3.16Å; W325-T329 HydrophobicContact CD2-CG2 4.44Å; W325-T329 HydrophobicContact CZ2-CG2 3.97Å; W325-T329 VanDerWaalsContact NE1-CG2 3.33Å; W325-T329 WeakPolarHBondContact O-CG2 3.48Å; W325-T329 PolarHBondContact O-N 2.64Å; W325-T329 PolarHBondContact O-OG1 3.24Å; W325-F425 HydrophobicContact CB-CD2 4.35Å; W325-F425 HydrophobicContact CG-CD2 4.31Å; W325-M428 VanDerWaalsContact CD1-CE 3.5Å; W325-M428 HydrophobicContact CZ2-SD 4.26Å; W325-M428 PolarHBondContact NE1-SD 3.07Å
326H92.6Very high93.5Very high1 Ų113 Ų131%0.0057%0.07CC..Hα-helixtrans-65.5-36.6179-175.389.6000113E322 E323 A328 T329 N330 W364 G371 E424E322-H326 PolarHBondContact O-N 3.03Å; E322-H326 VanDerWaalsContact O-N 3.08Å; E323-H326 PolarHBondContact O-N 2.79Å; E323-H326 VanDerWaalsContact O-N 3.14Å; H326-A328 VanDerWaalsContact C-N 3.34Å; H326-T329 PolarHBondContact O-OG1 2.89Å; H326-N330 PolarHBondContact NE2-ND2 2.9Å; H326-N330 PolarHBondContact O-N 3.02Å; H326-W364 AromaticContact CD2-CH2 3.44Å; H326-W364 VanDerWaalsContact CD2-CH2 3.44Å; H326-W364 WeakPolarHBondContact CD2-CH2 3.46Å; H326-W364 AromaticContact CD2-CZ2 3.36Å; H326-W364 WeakPolarHBondContact CD2-CZ2 3.47Å; H326-W364 AromaticContact CE1-CZ2 3.68Å; H326-W364 AromaticContact NE2-CE2 3.82Å; H326-W364 AromaticContact NE2-CH2 3.55Å; H326-W364 AromaticContact NE2-CZ2 3.01Å; H326-W364 WeakPolarHBondContact NE2-CZ2 3.47Å; H326-G371 PolarHBondContact CE1-O 3.29Å; H326-E424 IonicContact CE1-OE1 2.89Å; H326-E424 IonicContact CE1-OE2 3.51Å; H326-E424 PolarHBondContact CE1-OE2 2.83Å; H326-E424 VanDerWaalsContact CE1-OE2 3.29Å; H326-E424 IonicContact CG-OE2 2.67Å; H326-E424 IonicContact ND1-OE1 2.61Å; H326-E424 IonicContact ND1-OE2 3.55Å; H326-E424 PolarHBondContact ND1-OE2 2.81Å
327Y93.8Very high93.4Very high0 Ų015.1 Ų15.10%08%0.083CC..Hα-helixtrans-68.5-35.7172.1-62.5-54.3000112L259 R305 L317 E323 A324 W325 A331 W364 L420L259-Y327 HydrophobicContact CD2-CD1 4.1Å; R305-Y327 HydrophobicContact CB-CD2 4.07Å; R305-Y327 HydrophobicContact CB-CE2 3.87Å; R305-Y327 VanDerWaalsContact CD-CE2 3.49Å; R305-Y327 VanDerWaalsContact CD-OH 3.32Å; R305-Y327 WeakPolarHBondContact CD-OH 3.48Å; R305-Y327 HydrophobicContact CG-CE2 4.26Å; R305-Y327 PolarHBondContact NH1-OH 2.91Å; L317-Y327 WeakPolarHBondContact O-CD2 3.46Å; E323-Y327 HydrophobicContact CG-CD2 3.92Å; E323-Y327 HydrophobicContact CG-CE2 3.22Å; E323-Y327 VanDerWaalsContact O-CD2 3.3Å; E323-Y327 WeakPolarHBondContact O-CD2 3.45Å; E323-Y327 PolarHBondContact O-N 3.26Å; E323-Y327 VanDerWaalsContact O-N 3.09Å; E323-Y327 WeakPolarHBondContact OE1-CE2 3.36Å; E323-Y327 PolarHBondContact OE1-OH 3.01Å; A324-Y327 PolarHBondContact O-N 3.42Å; W325-Y327 PolarHBondContact O-N 2.76Å; Y327-A331 WeakPolarHBondContact O-CB 3.25Å; Y327-A331 PolarHBondContact O-N 2.8Å; Y327-W364 HydrophobicContact CE1-CH2 4.25Å; Y327-W364 HydrophobicContact CE1-CZ3 4.18Å; Y327-L420 WeakPolarHBondContact OH-CD2 3.42Å
328A94.3Very high93.3Very high0 Ų015.4 Ų15.40%08%0.084CC..Hα-helixtrans-62.8-46.6175.700000112.6I232 L234 A316 A324 W325 H326 A331 I332I232-A328 HydrophobicContact CD1-CB 4.27Å; L234-A328 HydrophobicContact CD1-CB 3.66Å; A316-A328 HydrophobicContact CB-CB 3.92Å; A324-A328 PolarHBondContact O-N 3.39Å; A324-A328 VanDerWaalsContact O-N 3.09Å; W325-A328 WeakPolarHBondContact O-CB 3.41Å; W325-A328 PolarHBondContact O-N 3.15Å; W325-A328 VanDerWaalsContact O-N 3.16Å; H326-A328 VanDerWaalsContact C-N 3.34Å; A328-A331 PolarHBondContact O-N 3.03Å; A328-I332 PolarHBondContact O-N 3.19Å
329T93.7Very high93.3Very high21 Ų2118.8 Ų18.813%0.12910%0.102CC..Hα-helixtrans-60.1-53.1178.254.40000111.3W155 W325 H326 A331 I332 V333W155-T329 HydrophobicContact CH2-CG2 3.84Å; W155-T329 HydrophobicContact CZ3-CG2 4.27Å; W325-T329 HydrophobicContact CD2-CG2 4.44Å; W325-T329 HydrophobicContact CZ2-CG2 3.97Å; W325-T329 VanDerWaalsContact NE1-CG2 3.33Å; W325-T329 WeakPolarHBondContact O-CG2 3.48Å; W325-T329 PolarHBondContact O-N 2.64Å; W325-T329 PolarHBondContact O-OG1 3.24Å; H326-T329 PolarHBondContact O-OG1 2.89Å; T329-A331 VanDerWaalsContact C-N 3.34Å; T329-A331 PolarHBondContact O-N 3.48Å; T329-I332 PolarHBondContact O-N 2.79Å; T329-V333 WeakPolarHBondContact O-CG2 3.31Å; T329-V333 PolarHBondContact O-N 3.36Å; T329-V333 VanDerWaalsContact O-N 3.08Å
330N93.1Very high93.3Very high5 Ų521.7 Ų21.73%0.02712%0.119CC..Hα-helixtrans-67.3-32.9-179.5-83.4-6.3000112.7E255 I258 L259 H326 A334 S373E255-N330 HydrophobicContact CB-CB 4.14Å; I258-N330 VanDerWaalsContact CG2-ND2 3.29Å; I258-N330 WeakPolarHBondContact CG2-ND2 3.32Å; L259-N330 HydrophobicContact CD2-CB 4.08Å; H326-N330 PolarHBondContact NE2-ND2 2.9Å; H326-N330 PolarHBondContact O-N 3.02Å; N330-A334 WeakPolarHBondContact O-CB 3.49Å; N330-A334 PolarHBondContact O-N 3.19Å; N330-S373 PolarHBondContact OD1-OG 3.48Å
331A94.4Very high93.2Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-67.9-37.2176.100000112.6L259 I306 L314 Y327 A328 T329 C335L259-A331 HydrophobicContact CD1-CB 3.92Å; L259-A331 HydrophobicContact CD2-CB 4.19Å; I306-A331 HydrophobicContact CD1-CB 4Å; L314-A331 HydrophobicContact CD1-CB 4.41Å; L314-A331 HydrophobicContact CD2-CB 3.59Å; Y327-A331 WeakPolarHBondContact O-CB 3.25Å; Y327-A331 PolarHBondContact O-N 2.8Å; A328-A331 PolarHBondContact O-N 3.03Å; T329-A331 VanDerWaalsContact C-N 3.34Å; T329-A331 PolarHBondContact O-N 3.48Å; A331-C335 WeakPolarHBondContact O-CB 3.46Å; A331-C335 PolarHBondContact O-N 2.96Å; A331-C335 PolarHBondContact O-SG 3.36Å
332I93.8Very high92.6Very high3 Ų326.5 Ų26.52%0.01515%0.152CC..Hα-helixtrans-68.7-46.7174.6-71.8169.7000110.7W155 L234 T236 T239 A328 T329 A334 C335 D336W155-I332 HydrophobicContact CD2-CD1 3.43Å; W155-I332 VanDerWaalsContact CD2-CD1 3.43Å; W155-I332 HydrophobicContact CE3-CD1 3.55Å; W155-I332 HydrophobicContact CG-CD1 3.91Å; W155-I332 HydrophobicContact CH2-CD1 4.15Å; W155-I332 HydrophobicContact CZ2-CB 4.4Å; W155-I332 HydrophobicContact CZ2-CD1 4.05Å; W155-I332 HydrophobicContact CZ2-CG2 4.17Å; W155-I332 HydrophobicContact CZ3-CD1 3.91Å; L234-I332 HydrophobicContact CD1-CD1 3.77Å; T236-I332 HydrophobicContact CG2-CD1 3.78Å; T236-I332 HydrophobicContact CG2-CG1 4.35Å; T239-I332 HydrophobicContact CG2-CG1 4.01Å; A328-I332 PolarHBondContact O-N 3.19Å; T329-I332 PolarHBondContact O-N 2.79Å; I332-A334 VanDerWaalsContact C-N 3.3Å; I332-A334 PolarHBondContact O-N 2.83Å; I332-C335 CarbonylContact O-C 3.59Å; I332-C335 WeakPolarHBondContact O-CA 3.45Å; I332-C335 WeakPolarHBondContact O-CB 3.26Å; I332-C335 PolarHBondContact O-N 2.86Å; I332-D336 PolarHBondContact O-N 3.37Å
333V93.3Very high92.3Very high60 Ų6031 Ų3136%0.36419%0.185SC..Hα-helixtrans-61.7-38.4176.3176.30000111.7E255 T329 C335 T337E255-V333 HydrophobicContact CG-CB 4.45Å; E255-V333 HydrophobicContact CG-CG1 3.98Å; T329-V333 WeakPolarHBondContact O-CG2 3.31Å; T329-V333 PolarHBondContact O-N 3.36Å; T329-V333 VanDerWaalsContact O-N 3.08Å; V333-C335 VanDerWaalsContact C-N 3.34Å; V333-T337 HydrophobicContact CG1-CG2 4.49Å; V333-T337 WeakPolarHBondContact O-CB 3.46Å; V333-T337 WeakPolarHBondContact O-CG2 3.21Å; V333-T337 PolarHBondContact O-N 3.26Å; V333-T337 PolarHBondContact O-OG1 2.82Å
334A93.6Very high92.1Very high1 Ų133.1 Ų33.11%0.00820%0.199CC..Hα-helixtrans-63.7-37.6172.300000112.5L249 E255 A256 N330 I332 T337 Q338L249-A334 HydrophobicContact CD1-CB 4.03Å; L249-A334 HydrophobicContact CD2-CB 4.15Å; E255-A334 HydrophobicContact CB-CB 4.46Å; A256-A334 HydrophobicContact CB-CB 3.88Å; N330-A334 WeakPolarHBondContact O-CB 3.49Å; N330-A334 PolarHBondContact O-N 3.19Å; I332-A334 VanDerWaalsContact C-N 3.3Å; I332-A334 PolarHBondContact O-N 2.83Å; A334-T337 WeakPolarHBondContact CA-OG1 3.49Å; A334-T337 PolarHBondContact O-OG1 3.29Å; A334-T337 VanDerWaalsContact O-OG1 3.14Å; A334-Q338 WeakPolarHBondContact O-CB 3.41Å; A334-Q338 PolarHBondContact O-N 3.34Å; A334-Q338 VanDerWaalsContact O-N 3.16Å
335C94.4Very high91.3Very high0 Ų036.2 Ų36.20%022%0.22CC..Hα-helixtrans-69-46.4175.7-71.50000112.3T239 I242 A331 I332 V333 T337 Q338 L339T239-C335 HydrophobicContact CG2-CB 4.33Å; I242-C335 VanDerWaalsContact CD1-CA 3.4Å; I242-C335 HydrophobicContact CD1-CB 3.72Å; I242-C335 WeakPolarHBondContact CD1-O 3.42Å; A331-C335 WeakPolarHBondContact O-CB 3.46Å; A331-C335 PolarHBondContact O-N 2.96Å; A331-C335 PolarHBondContact O-SG 3.36Å; I332-C335 CarbonylContact O-C 3.59Å; I332-C335 WeakPolarHBondContact O-CA 3.45Å; I332-C335 WeakPolarHBondContact O-CB 3.26Å; I332-C335 PolarHBondContact O-N 2.86Å; V333-C335 VanDerWaalsContact C-N 3.34Å; C335-T337 PolarHBondContact O-N 2.92Å; C335-Q338 PolarHBondContact O-N 2.91Å; C335-L339 WeakPolarHBondContact O-CB 3.4Å; C335-L339 PolarHBondContact O-N 3.45Å
336D93.8Very high90.5Very high42 Ų4239.4 Ų39.423%0.22525%0.248CC..Hα-helixtrans-60.2-46.8177.6-72.4-20000111.3S238 I332 Q338 L339 L340S238-D336 WeakPolarHBondContact CB-OD1 3.29Å; S238-D336 PolarHBondContact OG-OD1 3.43Å; I332-D336 PolarHBondContact O-N 3.37Å; D336-Q338 PolarHBondContact O-N 2.94Å; D336-L339 PolarHBondContact O-N 3.16Å; D336-L340 WeakPolarHBondContact O-CB 3.25Å; D336-L340 VanDerWaalsContact O-CG 3.28Å; D336-L340 WeakPolarHBondContact O-CG 3.38Å; D336-L340 PolarHBondContact O-N 3.01Å
337T92.8Very high89.7Confident45 Ų4547.9 Ų47.928%0.27629%0.287SS..Hα-helixtrans-63.6-39.3179.247.60000112.7C253 V333 A334 C335 L341C253-T337 PolarHBondContact SG-OG1 3.48Å; C253-T337 VanDerWaalsContact SG-OG1 3.39Å; V333-T337 HydrophobicContact CG1-CG2 4.49Å; V333-T337 WeakPolarHBondContact O-CB 3.46Å; V333-T337 WeakPolarHBondContact O-CG2 3.21Å; V333-T337 PolarHBondContact O-N 3.26Å; V333-T337 PolarHBondContact O-OG1 2.82Å; A334-T337 WeakPolarHBondContact CA-OG1 3.49Å; A334-T337 PolarHBondContact O-OG1 3.29Å; A334-T337 VanDerWaalsContact O-OG1 3.14Å; C335-T337 PolarHBondContact O-N 2.92Å; T337-L341 VanDerWaalsContact O-CG 3.32Å; T337-L341 WeakPolarHBondContact O-CG 3.4Å; T337-L341 PolarHBondContact O-N 3.27Å
338Q92.6Very high89.1Confident7 Ų753.6 Ų53.63%0.03332%0.318CS..Hα-helixtrans-68.3-38.9172.7172.9171-37.700112.6I242 M245 G248 L252 A334 C335 D336 L341 A342I242-Q338 HydrophobicContact CD1-CB 3.8Å; I242-Q338 HydrophobicContact CD1-CG 3.86Å; I242-Q338 HydrophobicContact CG1-CG 4.43Å; M245-Q338 PolarHBondContact SD-NE2 2.94Å; G248-Q338 PolarHBondContact O-NE2 3.28Å; L252-Q338 HydrophobicContact CD1-CB 4.2Å; L252-Q338 HydrophobicContact CD1-CG 4.19Å; A334-Q338 WeakPolarHBondContact O-CB 3.41Å; A334-Q338 PolarHBondContact O-N 3.34Å; A334-Q338 VanDerWaalsContact O-N 3.16Å; C335-Q338 PolarHBondContact O-N 2.91Å; D336-Q338 PolarHBondContact O-N 2.94Å; Q338-L341 CarbonylContact O-C 3.53Å; Q338-L341 PolarHBondContact O-N 3.29Å; Q338-A342 PolarHBondContact O-N 2.89Å; Q338-A342 VanDerWaalsContact O-N 3.11Å
339L91.7Very high88.8Confident74 Ų7455.3 Ų55.339%0.38733%0.327SS..Hα-helixtrans-68.5-37.4-179.7-17559.4000112A241 C335 D336 L341 A342A241-L339 HydrophobicContact CB-CD1 4.4Å; A241-L339 HydrophobicContact CB-CD2 4.45Å; C335-L339 WeakPolarHBondContact O-CB 3.4Å; C335-L339 PolarHBondContact O-N 3.45Å; D336-L339 PolarHBondContact O-N 3.16Å; L339-L341 VanDerWaalsContact C-N 3.28Å; L339-L341 PolarHBondContact O-N 2.77Å; L339-A342 HydrophobicContact CD1-CB 4.46Å; L339-A342 WeakPolarHBondContact O-CB 3.44Å; L339-A342 PolarHBondContact O-N 3.39Å; L339-A342 VanDerWaalsContact O-N 3.14Å
340L91.8Very high88.4Confident137 Ų13762 Ų6272%0.71736%0.36SS*.Hα-helixtrans-61.3-36.7170.8-71167.5000112D336 A342D336-L340 WeakPolarHBondContact O-CB 3.25Å; D336-L340 VanDerWaalsContact O-CG 3.28Å; D336-L340 WeakPolarHBondContact O-CG 3.38Å; D336-L340 PolarHBondContact O-N 3.01Å; L340-A342 VanDerWaalsContact C-N 3.3Å; L340-A342 PolarHBondContact O-N 3.12Å
341L89.3Confident88.1Confident68 Ų6866.5 Ų66.536%0.35638%0.384SS..G310 helixtrans-78-6.4175.8-69.9171.3000114.1L252 T337 Q338 L339 S343 V344L252-L341 HydrophobicContact CB-CD1 4.49Å; L252-L341 HydrophobicContact CD1-CD1 4.03Å; T337-L341 VanDerWaalsContact O-CG 3.32Å; T337-L341 WeakPolarHBondContact O-CG 3.4Å; T337-L341 PolarHBondContact O-N 3.27Å; Q338-L341 CarbonylContact O-C 3.53Å; Q338-L341 PolarHBondContact O-N 3.29Å; L339-L341 VanDerWaalsContact C-N 3.28Å; L339-L341 PolarHBondContact O-N 2.77Å; L341-S343 PolarHBondContact O-N 3.24Å; L341-V344 WeakPolarHBondContact O-CB 3.5Å; L341-V344 PolarHBondContact O-N 3.24Å
342A83Confident87.7Confident61 Ų6168 Ų6850%0.50439%0.394SS..G310 helixtrans-66.1-11.5-177.400000114.6Q338 L339 L340 V344Q338-A342 PolarHBondContact O-N 2.89Å; Q338-A342 VanDerWaalsContact O-N 3.11Å; L339-A342 HydrophobicContact CD1-CB 4.46Å; L339-A342 WeakPolarHBondContact O-CB 3.44Å; L339-A342 PolarHBondContact O-N 3.39Å; L339-A342 VanDerWaalsContact O-N 3.14Å; L340-A342 VanDerWaalsContact C-N 3.3Å; L340-A342 PolarHBondContact O-N 3.12Å; A342-V344 VanDerWaalsContact C-N 3.27Å
343S86.5Confident87.4Confident111 Ų11172.6 Ų72.678%0.77642%0.421SS*.G310 helixtrans-74-15.7169.258.20000113.6L341L341-S343 PolarHBondContact O-N 3.24Å
344V86.3Confident87.2Confident57 Ų5775.3 Ų75.335%0.34543%0.434SS..SBendtrans-100.4127.9-178.8-179.60000109.1L341 A342 A346 N348 L349L341-V344 WeakPolarHBondContact O-CB 3.5Å; L341-V344 PolarHBondContact O-N 3.24Å; A342-V344 VanDerWaalsContact C-N 3.27Å; V344-A346 PolarHBondContact O-N 2.97Å; V344-N348 HydrophobicContact CG1-CB 3.69Å; V344-L349 HydrophobicContact CB-CD2 4.26Å; V344-L349 HydrophobicContact CG1-CD2 3.88Å
345S79.1Confident87Confident65 Ų6583.4 Ų83.446%0.45547%0.469SS..  trans-55.6137172.8-178.40000110.5E347 N348S345-E347 PolarHBondContact O-N 3.28Å; S345-N348 WeakPolarHBondContact O-CB 3.14Å; S345-N348 PolarHBondContact O-N 2.93Å
346A76.9Confident86.7Confident70 Ų7087.5 Ų87.558%0.57949%0.491SS*.G310 helixtrans-56.7-25.3-177.300000113.5V344 N348 L349V344-A346 PolarHBondContact O-N 2.97Å; A346-N348 PolarHBondContact O-N 3.5Å; A346-L349 WeakPolarHBondContact O-CB 3.48Å; A346-L349 PolarHBondContact O-N 3.35Å
347E76.3Confident86.4Confident178 Ų17888.5 Ų88.583%0.83249%0.493SS*.G310 helixtrans-64.1-23.5175.2-61.8174161.400113.4S345S345-E347 PolarHBondContact O-N 3.28Å
348N81.3Confident86.1Confident121 Ų12191.9 Ų91.965%0.64751%0.506SS*.G310 helixtrans-91.3-0.7177.4-60.9-50.7000113V344 S345 A346V344-N348 HydrophobicContact CG1-CB 3.69Å; S345-N348 WeakPolarHBondContact O-CB 3.14Å; S345-N348 PolarHBondContact O-N 2.93Å; A346-N348 PolarHBondContact O-N 3.5Å
349L86.7Confident85.8Confident36 Ų3698 Ų9819%0.18853%0.532CS..SBendtrans-92.4125.1-177.1-59.5-179.5000111.1L252 V344 A346 L351L252-L349 HydrophobicContact CD1-CD1 4.06Å; L252-L349 HydrophobicContact CD2-CB 3.98Å; L252-L349 HydrophobicContact CD2-CD1 3.99Å; L252-L349 HydrophobicContact CD2-CG 4.47Å; V344-L349 HydrophobicContact CB-CD2 4.26Å; V344-L349 HydrophobicContact CG1-CD2 3.88Å; A346-L349 WeakPolarHBondContact O-CB 3.48Å; A346-L349 PolarHBondContact O-N 3.35Å; L349-L351 PolarHBondContact O-N 2.89Å
350I86.1Confident85.5Confident161 Ų16195.6 Ų95.683%0.82652%0.521SS*.  trans-79.4101.9177.7-56.2176.7000109.1
351L86.1Confident85.2Confident100 Ų10090.7 Ų90.752%0.52449%0.493SS..PPolyproline II helixtrans-78.8133.3174.3-65.8171.4000111L252 L349L252-L351 HydrophobicContact CD2-CD2 3.96Å; L349-L351 PolarHBondContact O-N 2.89Å
352P85.7Confident84.9Confident32 Ų3293 Ų9321%0.20850%0.502CS..PPolyproline II helixtrans-71.1144.3176.929.9-35.1000111.5P251 M257 L356P251-P352 HydrophobicContact CB-CG 4.19Å; P251-P352 HydrophobicContact CG-CG 4.28Å; P251-P352 WeakPolarHBondContact O-CD 3.21Å; P251-P352 WeakPolarHBondContact O-CG 3.29Å; M257-P352 HydrophobicContact SD-CB 4.13Å; M257-P352 HydrophobicContact SD-CG 3.93Å; P352-L356 HydrophobicContact CB-CD2 3.99Å; P352-L356 HydrophobicContact CB-CG 4.49Å
353T89.2Confident84.8Confident98 Ų9892.7 Ų92.760%0.60149%0.494SS*.PPolyproline II helixtrans-62.1145.7174.2-41.90000111.3K355 L356 K357T353-K355 PolarHBondContact O-N 3.19Å; T353-K355 VanDerWaalsContact O-N 3.1Å; T353-L356 WeakPolarHBondContact O-CA 3.5Å; T353-L356 VanDerWaalsContact O-CB 3.32Å; T353-L356 WeakPolarHBondContact O-CB 3.49Å; T353-L356 PolarHBondContact O-N 3.05Å; T353-K357 PolarHBondContact O-N 3.27Å; T353-K357 VanDerWaalsContact O-N 3.11Å
354D88.5Confident84.2Confident117 Ų11788.6 Ų88.663%0.62646%0.461SS*.Hα-helixtrans-54.3-37-178.4-56-67000113.6L356 K357 Q358D354-L356 VanDerWaalsContact C-N 3.25Å; D354-L356 PolarHBondContact O-N 3.33Å; D354-K357 PolarHBondContact O-N 3.11Å; D354-Q358 WeakPolarHBondContact O-CB 3.44Å; D354-Q358 WeakPolarHBondContact O-CG 3.44Å; D354-Q358 PolarHBondContact O-N 3.25Å
355K89.6Confident83.5Confident171 Ų17191 Ų9174%0.74346%0.464SS*.Hα-helixtrans-60.6-32.9174.6-64.8-174.9179.6-178.90113T353 K359T353-K355 PolarHBondContact O-N 3.19Å; T353-K355 VanDerWaalsContact O-N 3.1Å; K355-K359 WeakPolarHBondContact O-CB 3.35Å; K355-K359 PolarHBondContact O-N 3.15Å; K355-K359 VanDerWaalsContact O-N 3.09Å
356L86.9Confident82.8Confident87 Ų8793.3 Ų93.346%0.45548%0.475SS..Hα-helixtrans-75.4-44.5174.4-17859.8000110.2P352 T353 D354 Q358 K359 T360P352-L356 HydrophobicContact CB-CD2 3.99Å; P352-L356 HydrophobicContact CB-CG 4.49Å; T353-L356 WeakPolarHBondContact O-CA 3.5Å; T353-L356 VanDerWaalsContact O-CB 3.32Å; T353-L356 WeakPolarHBondContact O-CB 3.49Å; T353-L356 PolarHBondContact O-N 3.05Å; D354-L356 VanDerWaalsContact C-N 3.25Å; D354-L356 PolarHBondContact O-N 3.33Å; L356-Q358 PolarHBondContact O-N 3.35Å; L356-K359 PolarHBondContact O-N 2.96Å; L356-T360 WeakPolarHBondContact O-CB 2.99Å; L356-T360 PolarHBondContact O-N 3.37Å; L356-T360 PolarHBondContact O-OG1 3.39Å
357K87.8Confident81.7Confident62 Ų6291.5 Ų91.527%0.2746%0.461SS..Hα-helixtrans-55.6-52174.8-175-174.3176.8-170.70111.5M257 G260 T353 D354 T360 Y361M257-K357 HydrophobicContact CG-CG 4.33Å; G260-K357 WeakPolarHBondContact O-CE 3.38Å; G260-K357 PolarHBondContact O-NZ 3.05Å; T353-K357 PolarHBondContact O-N 3.27Å; T353-K357 VanDerWaalsContact O-N 3.11Å; D354-K357 PolarHBondContact O-N 3.11Å; K357-T360 PolarHBondContact O-N 3.15Å; K357-Y361 WeakPolarHBondContact O-CB 3.29Å; K357-Y361 PolarHBondContact O-N 3.03Å
358Q86.8Confident80.4Confident117 Ų11785.8 Ų85.855%0.54745%0.449SS..Hα-helixtrans-59.4-50.6177.2-73.2175.2-2300111.4D354 L356 T360 Y361 E362D354-Q358 WeakPolarHBondContact O-CB 3.44Å; D354-Q358 WeakPolarHBondContact O-CG 3.44Å; D354-Q358 PolarHBondContact O-N 3.25Å; L356-Q358 PolarHBondContact O-N 3.35Å; Q358-T360 VanDerWaalsContact C-N 3.34Å; Q358-T360 PolarHBondContact O-N 3.12Å; Q358-Y361 PolarHBondContact O-N 2.91Å; Q358-E362 WeakPolarHBondContact O-CB 3.26Å; Q358-E362 WeakPolarHBondContact O-CG 3.4Å; Q358-E362 PolarHBondContact O-N 2.9Å
359K86.5Confident78.8Confident134 Ų13483.1 Ų83.158%0.58344%0.435SS*.Hα-helixtrans-59.9-41.3178.9-176.2-179.4178.3-174.70112.6K355 L356 T363K355-K359 WeakPolarHBondContact O-CB 3.35Å; K355-K359 PolarHBondContact O-N 3.15Å; K355-K359 VanDerWaalsContact O-N 3.09Å; L356-K359 PolarHBondContact O-N 2.96Å; K359-T363 WeakPolarHBondContact O-CB 3.46Å; K359-T363 PolarHBondContact O-N 3.28Å; K359-T363 PolarHBondContact O-OG1 2.68Å
360T85.5Confident76.8Confident25 Ų2581.5 Ų81.515%0.15343%0.427CS..Hα-helixtrans-62.5-48.2177.1-630000110.6M257 L356 K357 Q358 T363 W364M257-T360 HydrophobicContact CB-CG2 3.95Å; M257-T360 HydrophobicContact CE-CG2 4.36Å; L356-T360 WeakPolarHBondContact O-CB 2.99Å; L356-T360 PolarHBondContact O-N 3.37Å; L356-T360 PolarHBondContact O-OG1 3.39Å; K357-T360 PolarHBondContact O-N 3.15Å; Q358-T360 VanDerWaalsContact C-N 3.34Å; Q358-T360 PolarHBondContact O-N 3.12Å; T360-T363 PolarHBondContact O-N 3.44Å; T360-W364 VanDerWaalsContact O-CB 3.27Å; T360-W364 WeakPolarHBondContact O-CB 3.25Å; T360-W364 PolarHBondContact O-N 3.39Å
361Y85.1Confident75Confident33 Ų3374 Ų7413%0.12939%0.39CS..Hα-helixtrans-61.1-45.6178.2-176.5-120.3000112.9I258 G260 K357 Q358 R365I258-Y361 VanDerWaalsContact O-CD2 3.31Å; I258-Y361 WeakPolarHBondContact O-CD2 3.32Å; I258-Y361 WeakPolarHBondContact O-CE2 3.37Å; G260-Y361 VanDerWaalsContact CA-CE2 3.47Å; K357-Y361 WeakPolarHBondContact O-CB 3.29Å; K357-Y361 PolarHBondContact O-N 3.03Å; Q358-Y361 PolarHBondContact O-N 2.91Å; Y361-R365 WeakPolarHBondContact O-CB 3.42Å; Y361-R365 WeakPolarHBondContact O-CG 3.48Å; Y361-R365 PolarHBondContact O-N 2.87Å; Y361-R365 VanDerWaalsContact OH-CZ 3.22Å; Y361-R365 PolarHBondContact OH-NH2 3.41Å
362E82.7Confident73.2Confident118 Ų11871.2 Ų71.255%0.55138%0.375SS*.Hα-helixtrans-63.4-47.9174.5-73173.6174.700112Q358 W364 R365 T366Q358-E362 WeakPolarHBondContact O-CB 3.26Å; Q358-E362 WeakPolarHBondContact O-CG 3.4Å; Q358-E362 PolarHBondContact O-N 2.9Å; E362-W364 VanDerWaalsContact C-N 3.3Å; E362-W364 PolarHBondContact O-N 2.8Å; E362-R365 PolarHBondContact O-N 3.27Å; E362-T366 WeakPolarHBondContact O-CB 3.44Å; E362-T366 PolarHBondContact O-N 3.11Å; E362-T366 PolarHBondContact O-OG1 3.1Å
363T80.5Confident71Confident54 Ų5471.5 Ų71.533%0.33138%0.377SS..Hα-helixtrans-57.6-45.8178.6-59.70000110.6K359 T360 T366 A367 M381K359-T363 WeakPolarHBondContact O-CB 3.46Å; K359-T363 PolarHBondContact O-N 3.28Å; K359-T363 PolarHBondContact O-OG1 2.68Å; T360-T363 PolarHBondContact O-N 3.44Å; T363-T366 PolarHBondContact O-N 2.95Å; T363-A367 VanDerWaalsContact O-CB 3.26Å; T363-A367 WeakPolarHBondContact O-CB 3.39Å; T363-A367 PolarHBondContact O-N 2.8Å; T363-M381 HydrophobicContact CG2-CE 3.99Å; T363-M381 HydrophobicContact CG2-SD 4.36Å
364W74.1Confident68.6Low24 Ų2468.1 Ų68.19%0.09136%0.363CS..Hα-helixtrans-71.6-35.2-177.4-17884.4000113I258 H326 Y327 T360 E362 G371 L420I258-W364 HydrophobicContact CB-CD2 4.31Å; I258-W364 HydrophobicContact CB-CE3 4.41Å; I258-W364 HydrophobicContact CD1-CD2 4.33Å; I258-W364 HydrophobicContact CD1-CG 4.07Å; I258-W364 HydrophobicContact CG1-CB 4.26Å; I258-W364 HydrophobicContact CG1-CD2 3.9Å; I258-W364 HydrophobicContact CG1-CE3 4.42Å; I258-W364 HydrophobicContact CG1-CG 3.75Å; I258-W364 HydrophobicContact CG2-CD2 3.63Å; I258-W364 HydrophobicContact CG2-CE3 3.6Å; I258-W364 HydrophobicContact CG2-CG 4.39Å; I258-W364 HydrophobicContact CG2-CH2 3.68Å; I258-W364 HydrophobicContact CG2-CZ2 3.8Å; I258-W364 HydrophobicContact CG2-CZ3 3.57Å; H326-W364 AromaticContact CD2-CH2 3.44Å; H326-W364 VanDerWaalsContact CD2-CH2 3.44Å; H326-W364 WeakPolarHBondContact CD2-CH2 3.46Å; H326-W364 AromaticContact CD2-CZ2 3.36Å; H326-W364 WeakPolarHBondContact CD2-CZ2 3.47Å; H326-W364 AromaticContact CE1-CZ2 3.68Å; H326-W364 AromaticContact NE2-CE2 3.82Å; H326-W364 AromaticContact NE2-CH2 3.55Å; H326-W364 AromaticContact NE2-CZ2 3.01Å; H326-W364 WeakPolarHBondContact NE2-CZ2 3.47Å; Y327-W364 HydrophobicContact CE1-CH2 4.25Å; Y327-W364 HydrophobicContact CE1-CZ3 4.18Å; T360-W364 VanDerWaalsContact O-CB 3.27Å; T360-W364 WeakPolarHBondContact O-CB 3.25Å; T360-W364 PolarHBondContact O-N 3.39Å; E362-W364 VanDerWaalsContact C-N 3.3Å; E362-W364 PolarHBondContact O-N 2.8Å; W364-G371 WeakPolarHBondContact CZ2-O 3.26Å; W364-G371 VanDerWaalsContact NE1-CA 3.31Å; W364-G371 PolarHBondContact NE1-O 2.9Å; W364-L420 HydrophobicContact CD2-CD1 4.44Å; W364-L420 HydrophobicContact CE3-CD1 4.12Å; W364-L420 HydrophobicContact CH2-CD1 3.46Å; W364-L420 VanDerWaalsContact CH2-CD1 3.46Å; W364-L420 HydrophobicContact CH2-CD2 3.48Å; W364-L420 VanDerWaalsContact CH2-CD2 3.48Å; W364-L420 HydrophobicContact CH2-CG 3.29Å; W364-L420 HydrophobicContact CZ2-CD1 3.72Å; W364-L420 HydrophobicContact CZ2-CD2 4.48Å; W364-L420 HydrophobicContact CZ2-CG 3.84Å; W364-L420 HydrophobicContact CZ3-CD1 3.69Å; W364-L420 HydrophobicContact CZ3-CD2 3.59Å; W364-L420 HydrophobicContact CZ3-CG 3.8Å
365R72.6Confident66Low109 Ų10968.1 Ų68.141%0.41137%0.369SS..Hα-helixtrans-69.2-30.5169.6-81.3178.4159.9-159.9-5114.2Y361 E362Y361-R365 WeakPolarHBondContact O-CB 3.42Å; Y361-R365 WeakPolarHBondContact O-CG 3.48Å; Y361-R365 PolarHBondContact O-N 2.87Å; Y361-R365 VanDerWaalsContact OH-CZ 3.22Å; Y361-R365 PolarHBondContact OH-NH2 3.41Å; E362-R365 PolarHBondContact O-N 3.27Å
366T64.2Low63.5Low112 Ų11266.8 Ų66.869%0.68737%0.365SS*.Hα-helixtrans-100.5-22.5-168.2-49.10000113.2E362 T363 G368E362-T366 WeakPolarHBondContact O-CB 3.44Å; E362-T366 PolarHBondContact O-N 3.11Å; E362-T366 PolarHBondContact O-OG1 3.1Å; T363-T366 PolarHBondContact O-N 2.95Å; T366-G368 PolarHBondContact O-N 3.03Å
367A53.4Low61.4Low33 Ų3363.8 Ų63.827%0.27335%0.353SS..SBendtrans-63.6120174.400000110.5T363 L369T363-A367 VanDerWaalsContact O-CB 3.26Å; T363-A367 WeakPolarHBondContact O-CB 3.39Å; T363-A367 PolarHBondContact O-N 2.8Å; A367-L369 PolarHBondContact O-N 3.01Å
368G49.3Very low59Low57 Ų5763.2 Ų63.259%0.58836%0.36SS*.THydrogen-bonded Turntrans-66.621.1178.900000115.8T366T366-G368 PolarHBondContact O-N 3.03Å
369L47.6Very low56.8Low65 Ų6562.4 Ų62.434%0.3436%0.359SS..BIsolated β-bridgetrans-104.514.2-176.6-77.7161.1000113A367 G371 A380 M381A367-L369 PolarHBondContact O-N 3.01Å; L369-G371 VanDerWaalsContact C-N 3.34Å; L369-G371 PolarHBondContact O-N 3.31Å; L369-A380 HydrophobicContact CD1-CB 4.07Å; L369-A380 HydrophobicContact CD2-CB 4.46Å; L369-M381 HydrophobicContact CD1-CG 4.39Å
370G45Very low54.7Low3 Ų357.1 Ų57.13%0.03134%0.34CS..THydrogen-bonded Turntrans75.412.1165.300000116.7G421G370-G421 PolarHBondContact O-N 2.96Å
371G48.2Very low52.7Low4 Ų460.1 Ų60.14%0.04135%0.353CS..THydrogen-bonded Turntrans87.122.8172.200000116.2H326 W364 L369 S373H326-G371 PolarHBondContact CE1-O 3.29Å; W364-G371 WeakPolarHBondContact CZ2-O 3.26Å; W364-G371 VanDerWaalsContact NE1-CA 3.31Å; W364-G371 PolarHBondContact NE1-O 2.9Å; L369-G371 VanDerWaalsContact C-N 3.34Å; L369-G371 PolarHBondContact O-N 3.31Å; G371-S373 PolarHBondContact O-N 3.43Å
372L47.3Very low50.6Low41 Ų4168.1 Ų68.122%0.21538%0.383CS..  trans-41.9123.5175.3-70.3167.9000112.9A377 L423 E424L372-A377 HydrophobicContact CB-CB 3.72Å; L372-A377 VanDerWaalsContact O-CB 3.3Å; L372-A377 WeakPolarHBondContact O-CB 3.18Å; L372-L423 HydrophobicContact CD2-CD2 3.99Å; L372-L423 HydrophobicContact CG-CD2 4.37Å; L372-E424 WeakPolarHBondContact CA-OE1 3.45Å
373S39.5Very low48.7Very low37 Ų3769.1 Ų69.126%0.25939%0.392SS..  trans-90145.7170.1-154.10000111.4N330 G371 E424N330-S373 PolarHBondContact OD1-OG 3.48Å; G371-S373 PolarHBondContact O-N 3.43Å; S373-E424 PolarHBondContact N-OE1 3.14Å
374G39.3Very low46.8Very low28 Ų2870.2 Ų70.229%0.28940%0.402SS..SBendtrans84.3-170.3176.400000117.4E376 A377G374-E376 VanDerWaalsContact C-N 3.34Å; G374-E376 PolarHBondContact O-N 3.27Å; G374-A377 WeakPolarHBondContact O-CB 3.5Å; G374-A377 PolarHBondContact O-N 3.13Å; G374-A377 VanDerWaalsContact O-N 3.17Å
375P33.7Very low44.9Very low116 Ų11672.8 Ų72.875%0.75342%0.424SS*.Hα-helixtrans-69.4-21.6-164.426-34.9000115.2A377 A378 L379P375-A377 VanDerWaalsContact C-N 3.27Å; P375-A377 PolarHBondContact O-N 2.85Å; P375-A378 PolarHBondContact O-N 2.71Å; P375-L379 PolarHBondContact O-N 2.97Å
376E36.7Very low43.3Very low143 Ų14372.8 Ų72.867%0.66844%0.438SS*.Hα-helixtrans-66.2-28.7173.7-73.6-166.6115.900112.5G374 A378 L379 A380G374-E376 VanDerWaalsContact C-N 3.34Å; G374-E376 PolarHBondContact O-N 3.27Å; E376-A378 VanDerWaalsContact C-N 3.33Å; E376-A378 PolarHBondContact O-N 2.77Å; E376-L379 WeakPolarHBondContact O-CB 3.44Å; E376-L379 PolarHBondContact O-N 3.28Å; E376-A380 WeakPolarHBondContact O-CB 3.44Å; E376-A380 PolarHBondContact O-N 3.02Å
377A43.9Very low41.7Very low24 Ų2475 Ų7520%0.19845%0.445CS..Hα-helixtrans-63.2-41.4172.400000111.6L372 G374 P375 A380 M381L372-A377 HydrophobicContact CB-CB 3.72Å; L372-A377 VanDerWaalsContact O-CB 3.3Å; L372-A377 WeakPolarHBondContact O-CB 3.18Å; G374-A377 WeakPolarHBondContact O-CB 3.5Å; G374-A377 PolarHBondContact O-N 3.13Å; G374-A377 VanDerWaalsContact O-N 3.17Å; P375-A377 VanDerWaalsContact C-N 3.27Å; P375-A377 PolarHBondContact O-N 2.85Å; A377-A380 PolarHBondContact O-N 2.84Å; A377-M381 WeakPolarHBondContact O-CG 3.28Å; A377-M381 PolarHBondContact O-N 3.33Å
378A37.5Very low40.7Very low51 Ų5182.8 Ų82.842%0.42147%0.473SS..Hα-helixtrans-69.8-33.9175.400000112.2P375 E376 R382P375-A378 PolarHBondContact O-N 2.71Å; E376-A378 VanDerWaalsContact C-N 3.33Å; E376-A378 PolarHBondContact O-N 2.77Å; A378-R382 VanDerWaalsContact O-CG 3.3Å; A378-R382 WeakPolarHBondContact O-CG 3.43Å; A378-R382 PolarHBondContact O-N 3.45Å; A378-R382 VanDerWaalsContact O-N 3.14Å
379L39.3Very low40Very low99 Ų9985 Ų8552%0.51848%0.48SS..Hα-helixtrans-65.1-48.3171.8-165.493.7000111P375 E376 M381 R382 L383P375-L379 PolarHBondContact O-N 2.97Å; E376-L379 WeakPolarHBondContact O-CB 3.44Å; E376-L379 PolarHBondContact O-N 3.28Å; L379-M381 PolarHBondContact O-N 3.01Å; L379-R382 WeakPolarHBondContact O-CB 3.33Å; L379-R382 PolarHBondContact O-N 3.06Å; L379-R382 VanDerWaalsContact O-N 3.15Å; L379-L383 HydrophobicContact CD2-CD1 3.94Å; L379-L383 HydrophobicContact CG-CD1 4.02Å; L379-L383 WeakPolarHBondContact O-CG 3.48Å; L379-L383 PolarHBondContact O-N 3.41Å
380A44.5Very low39.1Very low24 Ų2485.6 Ų85.620%0.19850%0.501CS..Hα-helixtrans-58.6-45.5178.200000111.6L369 E376 A377 R382 L383 S384L369-A380 HydrophobicContact CD1-CB 4.07Å; L369-A380 HydrophobicContact CD2-CB 4.46Å; E376-A380 WeakPolarHBondContact O-CB 3.44Å; E376-A380 PolarHBondContact O-N 3.02Å; A377-A380 PolarHBondContact O-N 2.84Å; A380-R382 VanDerWaalsContact C-N 3.34Å; A380-R382 PolarHBondContact O-N 2.75Å; A380-L383 PolarHBondContact O-N 2.02Å; A380-S384 WeakPolarHBondContact O-CB 3.42Å; A380-S384 PolarHBondContact O-N 3.31Å; A380-S384 PolarHBondContact O-OG 3.41Å
381M42.4Very low38.5Very low87 Ų8792.3 Ų92.343%0.42954%0.541SS..Hα-helixtrans-66.9-29.7176.5-71.1-142.8-72.200114T363 L369 A377 L379 S384 S385T363-M381 HydrophobicContact CG2-CE 3.99Å; T363-M381 HydrophobicContact CG2-SD 4.36Å; L369-M381 HydrophobicContact CD1-CG 4.39Å; A377-M381 WeakPolarHBondContact O-CG 3.28Å; A377-M381 PolarHBondContact O-N 3.33Å; L379-M381 PolarHBondContact O-N 3.01Å; M381-S384 PolarHBondContact O-OG 3.01Å; M381-S385 PolarHBondContact O-OG 2.8Å
382R40Very low37.7Very low201 Ų20197.7 Ų97.776%0.75858%0.579SS**Hα-helixtrans-69.9-40.5170.6-74.3174.6-175.5-170.33.4111.7A378 L379 A380A378-R382 VanDerWaalsContact O-CG 3.3Å; A378-R382 WeakPolarHBondContact O-CG 3.43Å; A378-R382 PolarHBondContact O-N 3.45Å; A378-R382 VanDerWaalsContact O-N 3.14Å; L379-R382 WeakPolarHBondContact O-CB 3.33Å; L379-R382 PolarHBondContact O-N 3.06Å; L379-R382 VanDerWaalsContact O-N 3.15Å; A380-R382 VanDerWaalsContact C-N 3.34Å; A380-R382 PolarHBondContact O-N 2.75Å
383L42.9Very low37.1Very low140 Ų140104.8 Ų104.873%0.73361%0.611SS**Hα-helixtrans-75-29.8179.7-67.9171.2000113.1L379 A380 S385L379-L383 HydrophobicContact CD2-CD1 3.94Å; L379-L383 HydrophobicContact CG-CD1 4.02Å; L379-L383 WeakPolarHBondContact O-CG 3.48Å; L379-L383 PolarHBondContact O-N 3.41Å; A380-L383 PolarHBondContact O-N 2.02Å; L383-S385 VanDerWaalsContact C-N 3.29Å; L383-S385 PolarHBondContact O-N 3.12Å
384S41.8Very low36.7Very low77 Ų77109.7 Ų109.754%0.53864%0.639SS.*THydrogen-bonded Turntrans-82.7-1.1177.873.70000114.1A380 M381 P386A380-S384 WeakPolarHBondContact O-CB 3.42Å; A380-S384 PolarHBondContact O-N 3.31Å; A380-S384 PolarHBondContact O-OG 3.41Å; M381-S384 PolarHBondContact O-OG 3.01Å; S384-P386 VanDerWaalsContact O-CD 3.25Å; S384-P386 WeakPolarHBondContact O-CD 3.41Å
385S34.9Very low36.3Very low78 Ų78112.2 Ų112.255%0.54567%0.665SS.*SBendtrans-92.1105.2-178.9-69.90000110.9M381 L383 N387M381-S385 PolarHBondContact O-OG 2.8Å; L383-S385 VanDerWaalsContact C-N 3.29Å; L383-S385 PolarHBondContact O-N 3.12Å; S385-N387 PolarHBondContact O-N 2.93Å
386P38.1Very low36.1Very low109 Ų109114.8 Ų114.871%0.70867%0.667SS**  trans-68.7127.5177.728.3-34.4000110.6S384 K388S384-P386 VanDerWaalsContact O-CD 3.25Å; S384-P386 WeakPolarHBondContact O-CD 3.41Å; P386-K388 PolarHBondContact O-N 3.4Å
387N31.3Very low35.8Very low158 Ų158116.2 Ų116.285%0.84567%0.673SS**  trans-59103.6-179.8-105.9-16.7000111.7S385S385-N387 PolarHBondContact O-N 2.93Å
388K32.2Very low35.2Very low197 Ų197120.3 Ų120.386%0.85770%0.7SS**  trans-112.754.2166.6-76.2-167.9174-177.20111.2P386 G390P386-K388 PolarHBondContact O-N 3.4Å; K388-G390 PolarHBondContact O-N 2.85Å
389S33.4Very low34.8Very low104 Ų104123.7 Ų123.773%0.72772%0.716SS**  trans-67.1106.5159.2520000108.4
390G29.4Very low34.5Very low76 Ų76125.3 Ų125.378%0.78473%0.73SS**  trans-79.2143.5-173.500000113.9K388K388-G390 PolarHBondContact O-N 2.85Å
391T33.3Very low33.7Very low144 Ų144132 Ų13288%0.88376%0.762SS**  trans-114.7111.1158.150.30000107.8
392S29.5Very low33.2Very low118 Ų118131.5 Ų131.583%0.82578%0.779SS**  trans-88.3124.4178.253.40000110.6
393E35.6Very low32.6Very low190 Ų190131.2 Ų131.289%0.88878%0.784SS**  trans-151.7137.8148.9-121.9159.2-140.400113.5
394T30.3Very low32.2Very low140 Ų140132.2 Ų132.286%0.85979%0.788SS**  trans-28.3133.9178500000119.1
395G31.9Very low31.7Very low80 Ų80132.5 Ų132.583%0.82579%0.788SS**  trans-170.699.7162.900000112.9
396Q29.2Very low31.2Very low171 Ų171136.7 Ų136.780%0.79981%0.805SS**  trans-86.2137.7176-65.5169.7-28.400110.6
397H30.9Very low30.7Very low173 Ų173134.9 Ų134.980%0.80181%0.805SS**  169.4149.5110.4-99.5-80000115.8
398S31.5Very low30.6Very low109 Ų109132.6 Ų132.676%0.76280%0.802SS**  trans65.5116.2151.1-147.30000121.6
399V29.2Very low30.3Very low123 Ų123129.9 Ų129.975%0.74580%0.797SS**  trans-68.2142.4160.1177.90000111.3
400T31.8Very low30.1Very low133 Ų133130.6 Ų130.682%0.81680%0.797SS**  trans-149.1136.3145.143.50000109.7
401N28.5Very low29.9Very low165 Ų165134.7 Ų134.788%0.88280%0.795SS**  trans-80.3135.9172.6-74.8-18.4000110.5
402G32.4Very low29.6Very low76 Ų76131.6 Ų131.678%0.78478%0.779SS**  trans-133.5121.1172.500000110.7
403F27.1Very low29.5Very low195 Ų195134.1 Ų134.186%0.85578%0.784SS**  trans-96.7117.9-176.1-175.9-83.5000110
404I33.6Very low29.4Very low160 Ų160132.3 Ų132.382%0.82178%0.779SS**  trans-137.5124.8170.8-57.2-178.8000108
405P30.6Very low30.5Very low84 Ų84129.7 Ų129.755%0.54577%0.772SS.*  trans-90.9166.9179.536.8-35.6000113.5
406D25.7Very low31.9Very low166 Ų166131.6 Ų131.689%0.88875%0.754SS**  trans52.6109.9158-55.9-23000119.8
407G27.5Very low33.7Very low70 Ų70128 Ų12872%0.72275%0.745SS**  trans-169.3106.4169.100000114
408S28.7Very low35.8Very low110 Ų110121.7 Ų121.777%0.76972%0.715SS**  trans4288.7163.159.90000118V410S408-V410 PolarHBondContact O-N 3.17Å; S408-V410 VanDerWaalsContact O-N 3.13Å
409N25.4Very low38Very low141 Ų141122.7 Ų122.775%0.75470%0.702SS**  trans-7792.5163.5-17134000110.2E411N409-E411 PolarHBondContact O-N 2.99Å
410V29.1Very low40.5Very low119 Ų119118.1 Ų118.172%0.72167%0.673SS**  trans-86.293.6174.5-178.40000108.8S408 S412S408-V410 PolarHBondContact O-N 3.17Å; S408-V410 VanDerWaalsContact O-N 3.13Å; V410-S412 PolarHBondContact O-N 3.43Å
411E25.6Very low43Very low161 Ų161111.9 Ų111.975%0.75264%0.635SS**  trans-69.691.7172.7-68-168.9143.700110.2N409 N413N409-E411 PolarHBondContact O-N 2.99Å; E411-N413 PolarHBondContact O-N 3.37Å
412S27.6Very low45.7Very low79 Ų79105.6 Ų105.655%0.55260%0.6SS**  trans-57.9128168.957.40000109.8V410 L414V410-S412 PolarHBondContact O-N 3.43Å; S412-L414 PolarHBondContact O-N 2.82Å
413N27.9Very low48.2Very low171 Ų171103.7 Ų103.791%0.91457%0.572SS**  trans-64.876178.4-87.3-44.5000112.1E411 A415E411-N413 PolarHBondContact O-N 3.37Å; N413-A415 PolarHBondContact O-N 2.92Å; N413-A415 VanDerWaalsContact O-N 3.07Å
414L33.8Very low51.1Low153 Ų15396.1 Ų96.180%0.80154%0.539SS*.  trans-70.5104.8178.1-74.2170.7000109.6S412 R416S412-L414 PolarHBondContact O-N 2.82Å; L414-R416 PolarHBondContact O-N 3.2Å
415A53.5Low53.8Low84 Ų8488.5 Ų88.569%0.69450%0.5SS*.  trans-54.8111.1179.700000110.9N413 R444N413-A415 PolarHBondContact O-N 2.92Å; N413-A415 VanDerWaalsContact O-N 3.07Å; A415-R444 PolarHBondContact O-NH2 3.05Å
416R61.4Low56.6Low121 Ų12184.8 Ų84.846%0.45748%0.475SS..  trans-23.7132.4178.3-178.4-170.7176.6-100.622.5114L414 W418 R419 E422 R444L414-R416 PolarHBondContact O-N 3.2Å; R416-W418 PolarHBondContact O-N 3.04Å; R416-R419 VanDerWaalsContact NH2-NE 3.18Å; R416-E422 IonicContact CZ-OE1 2.78Å; R416-E422 IonicContact NH1-OE1 3.89Å; R416-E422 PolarHBondContact NH1-OE1 3.38Å; R416-E422 IonicContact NH1-OE2 3.42Å; R416-E422 PolarHBondContact NH1-OE2 3.31Å; R416-E422 IonicContact NH2-OE1 2.74Å; R416-E422 PolarHBondContact NH2-OE1 2.8Å; R416-R444 PolarHBondContact O-NH1 3.37Å; R416-R444 PolarHBondContact O-NH2 3.47Å
417P66.8Low59.5Low95 Ų9579.2 Ų79.262%0.61745%0.453SS*.PPolyproline II helixtrans-55.6141.1174.924-33.8000111.2
418W74.6Confident62.6Low41 Ų4177.4 Ų77.416%0.15543%0.426CS..BIsolated β-bridgetrans-63133.3170.2-69.7104.4000109.3R416 E422 L423 R444 Q445R416-W418 PolarHBondContact O-N 3.04Å; W418-E422 HydrophobicContact CE3-CB 3.73Å; W418-E422 HydrophobicContact CZ3-CB 4.22Å; W418-L423 HydrophobicContact CD2-CB 3.98Å; W418-L423 HydrophobicContact CD2-CD1 4.47Å; W418-L423 HydrophobicContact CE3-CB 4Å; W418-L423 HydrophobicContact CG-CB 4.37Å; W418-L423 HydrophobicContact CH2-CD1 3.99Å; W418-L423 HydrophobicContact CZ2-CD1 3.72Å; W418-L423 HydrophobicContact CZ3-CB 4.32Å; W418-L423 HydrophobicContact CZ3-CD1 4.49Å; W418-R444 HydrophobicContact CH2-CB 3.99Å; W418-R444 HydrophobicContact CH2-CG 4.37Å; W418-R444 HydrophobicContact CZ3-CB 4.42Å; W418-Q445 HydrophobicContact CZ2-CG 4Å
419R78Confident65.6Low129 Ų12972.2 Ų72.249%0.48739%0.389SS..PPolyproline II helixtrans-76.6164164.7-58.9-177.3166.6-162.5-8.9110.2R416 G421 E422R416-R419 VanDerWaalsContact NH2-NE 3.18Å; R419-G421 PolarHBondContact O-N 3.19Å; R419-E422 VanDerWaalsContact CB-CD 3.44Å; R419-E422 HydrophobicContact CB-CG 3.84Å; R419-E422 VanDerWaalsContact CD-OE1 3.32Å; R419-E422 WeakPolarHBondContact CD-OE1 3.5Å; R419-E422 WeakPolarHBondContact CG-OE1 3.39Å; R419-E422 PolarHBondContact N-OE2 3.36Å; R419-E422 WeakPolarHBondContact O-CB 3.29Å; R419-E422 PolarHBondContact O-N 3.44Å; R419-E422 VanDerWaalsContact O-N 3.11Å
420L82.2Confident68.6Low27 Ų2767.8 Ų67.814%0.14136%0.362CS..THydrogen-bonded Turntrans-44120.8170.1-132.262.6000111.9E323 Y327 W364 E422E323-L420 HydrophobicContact CG-CD2 4.35Å; E323-L420 WeakPolarHBondContact OE1-CD2 3.42Å; Y327-L420 WeakPolarHBondContact OH-CD2 3.42Å; W364-L420 HydrophobicContact CD2-CD1 4.44Å; W364-L420 HydrophobicContact CE3-CD1 4.12Å; W364-L420 HydrophobicContact CH2-CD1 3.46Å; W364-L420 VanDerWaalsContact CH2-CD1 3.46Å; W364-L420 HydrophobicContact CH2-CD2 3.48Å; W364-L420 VanDerWaalsContact CH2-CD2 3.48Å; W364-L420 HydrophobicContact CH2-CG 3.29Å; W364-L420 HydrophobicContact CZ2-CD1 3.72Å; W364-L420 HydrophobicContact CZ2-CD2 4.48Å; W364-L420 HydrophobicContact CZ2-CG 3.84Å; W364-L420 HydrophobicContact CZ3-CD1 3.69Å; W364-L420 HydrophobicContact CZ3-CD2 3.59Å; W364-L420 HydrophobicContact CZ3-CG 3.8Å; L420-E422 PolarHBondContact O-N 3.45Å; L420-E422 VanDerWaalsContact O-N 3.1Å
421G82.8Confident71.4Confident2 Ų267.2 Ų67.22%0.02135%0.351CS..THydrogen-bonded Turntrans73.5-12.5177.700000116.1G370 R419 L423 E424 F425G370-G421 PolarHBondContact O-N 2.96Å; R419-G421 PolarHBondContact O-N 3.19Å; G421-L423 VanDerWaalsContact C-N 3.28Å; G421-L423 PolarHBondContact O-N 3.06Å; G421-E424 PolarHBondContact O-N 3.3Å; G421-F425 WeakPolarHBondContact O-CB 3.38Å; G421-F425 PolarHBondContact O-N 3.35Å
422E85.7Confident74.4Confident34 Ų3459.8 Ų59.816%0.15932%0.317CS..Hα-helixtrans-57.9-40.2-178.1-82.7177.7172.700111.6R416 W418 R419 L420 E426R416-E422 IonicContact CZ-OE1 2.78Å; R416-E422 IonicContact NH1-OE1 3.89Å; R416-E422 PolarHBondContact NH1-OE1 3.38Å; R416-E422 IonicContact NH1-OE2 3.42Å; R416-E422 PolarHBondContact NH1-OE2 3.31Å; R416-E422 IonicContact NH2-OE1 2.74Å; R416-E422 PolarHBondContact NH2-OE1 2.8Å; W418-E422 HydrophobicContact CE3-CB 3.73Å; W418-E422 HydrophobicContact CZ3-CB 4.22Å; R419-E422 VanDerWaalsContact CB-CD 3.44Å; R419-E422 HydrophobicContact CB-CG 3.84Å; R419-E422 VanDerWaalsContact CD-OE1 3.32Å; R419-E422 WeakPolarHBondContact CD-OE1 3.5Å; R419-E422 WeakPolarHBondContact CG-OE1 3.39Å; R419-E422 PolarHBondContact N-OE2 3.36Å; R419-E422 WeakPolarHBondContact O-CB 3.29Å; R419-E422 PolarHBondContact O-N 3.44Å; R419-E422 VanDerWaalsContact O-N 3.11Å; L420-E422 PolarHBondContact O-N 3.45Å; L420-E422 VanDerWaalsContact O-N 3.1Å; E422-E426 WeakPolarHBondContact O-CB 3.46Å; E422-E426 PolarHBondContact O-N 2.96Å
423L84.6Confident77.3Confident36 Ų3658.4 Ų58.419%0.18830%0.303CS..Hα-helixtrans-71.4-46.3-177.9176.259.9000112.8L372 W418 G421 E426 A427L372-L423 HydrophobicContact CD2-CD2 3.99Å; L372-L423 HydrophobicContact CG-CD2 4.37Å; W418-L423 HydrophobicContact CD2-CB 3.98Å; W418-L423 HydrophobicContact CD2-CD1 4.47Å; W418-L423 HydrophobicContact CE3-CB 4Å; W418-L423 HydrophobicContact CG-CB 4.37Å; W418-L423 HydrophobicContact CH2-CD1 3.99Å; W418-L423 HydrophobicContact CZ2-CD1 3.72Å; W418-L423 HydrophobicContact CZ3-CB 4.32Å; W418-L423 HydrophobicContact CZ3-CD1 4.49Å; G421-L423 VanDerWaalsContact C-N 3.28Å; G421-L423 PolarHBondContact O-N 3.06Å; L423-E426 PolarHBondContact O-N 3Å; L423-A427 PolarHBondContact O-N 3.11Å; L423-A427 VanDerWaalsContact O-N 3.12Å
424E87.4Confident80.1Confident35 Ų3557.1 Ų57.116%0.16430%0.297CS..Hα-helixtrans-65.6-43.3177.5-64.9-179.7168.900110.7H326 L372 S373 G421 E426 A427 M428H326-E424 IonicContact CE1-OE1 2.89Å; H326-E424 IonicContact CE1-OE2 3.51Å; H326-E424 PolarHBondContact CE1-OE2 2.83Å; H326-E424 VanDerWaalsContact CE1-OE2 3.29Å; H326-E424 IonicContact CG-OE2 2.67Å; H326-E424 IonicContact ND1-OE1 2.61Å; H326-E424 IonicContact ND1-OE2 3.55Å; H326-E424 PolarHBondContact ND1-OE2 2.81Å; L372-E424 WeakPolarHBondContact CA-OE1 3.45Å; S373-E424 PolarHBondContact N-OE1 3.14Å; G421-E424 PolarHBondContact O-N 3.3Å; E424-E426 VanDerWaalsContact C-N 3.34Å; E424-E426 PolarHBondContact O-N 2.94Å; E424-A427 WeakPolarHBondContact O-CB 3.42Å; E424-A427 PolarHBondContact O-N 3.06Å; E424-A427 VanDerWaalsContact O-N 3.15Å; E424-M428 VanDerWaalsContact C-CE 3.49Å; E424-M428 HydrophobicContact CB-CE 4.02Å; E424-M428 VanDerWaalsContact O-CE 3.26Å; E424-M428 WeakPolarHBondContact O-CE 3.04Å; E424-M428 PolarHBondContact O-N 3Å
425F90.7Very high82.5Confident1 Ų152.1 Ų52.10%0.00428%0.277CS..Hα-helixtrans-59.1-44.9175.3-167.7-89.1000111.3K142 V146 L149 I321 E322 W325 G421 A427 M428 M429 H441K142-F425 HydrophobicContact CB-CZ 4.44Å; K142-F425 HydrophobicContact CD-CE1 4.5Å; K142-F425 HydrophobicContact CG-CE1 4.33Å; V146-F425 HydrophobicContact CG2-CE2 3.82Å; V146-F425 HydrophobicContact CG2-CZ 4.33Å; L149-F425 HydrophobicContact CD1-CE2 4.5Å; I321-F425 HydrophobicContact CG2-CE2 4.22Å; I321-F425 HydrophobicContact CG2-CZ 4.39Å; E322-F425 HydrophobicContact CB-CB 3.99Å; E322-F425 HydrophobicContact CB-CD2 4.44Å; E322-F425 HydrophobicContact CB-CG 4.16Å; E322-F425 HydrophobicContact CG-CB 3.81Å; E322-F425 HydrophobicContact CG-CD1 3.76Å; E322-F425 HydrophobicContact CG-CD2 4.17Å; E322-F425 HydrophobicContact CG-CE1 4.36Å; E322-F425 HydrophobicContact CG-CG 3.64Å; W325-F425 HydrophobicContact CB-CD2 4.35Å; W325-F425 HydrophobicContact CG-CD2 4.31Å; G421-F425 WeakPolarHBondContact O-CB 3.38Å; G421-F425 PolarHBondContact O-N 3.35Å; F425-A427 VanDerWaalsContact C-N 3.31Å; F425-A427 PolarHBondContact O-N 3.41Å; F425-M428 PolarHBondContact O-N 3Å; F425-M428 VanDerWaalsContact O-N 3.15Å; F425-M429 HydrophobicContact CD1-CE 4.23Å; F425-M429 HydrophobicContact CD1-CG 3.79Å; F425-M429 HydrophobicContact CD1-SD 4.27Å; F425-M429 HydrophobicContact CD2-CE 4.46Å; F425-M429 HydrophobicContact CE1-CE 3.7Å; F425-M429 HydrophobicContact CE1-CG 3.63Å; F425-M429 HydrophobicContact CE1-SD 3.54Å; F425-M429 VanDerWaalsContact CE1-SD 3.54Å; F425-M429 HydrophobicContact CE2-CE 3.96Å; F425-M429 HydrophobicContact CZ-CE 3.55Å; F425-M429 HydrophobicContact CZ-CG 4.44Å; F425-M429 HydrophobicContact CZ-SD 3.84Å; F425-M429 VanDerWaalsContact O-CG 3.29Å; F425-M429 WeakPolarHBondContact O-CG 3.32Å; F425-M429 PolarHBondContact O-N 3.5Å; F425-H441 AromaticContact CD1-CE1 3.73Å; F425-H441 AromaticContact CE1-CE1 3.7Å; F425-H441 AromaticContact CE1-ND1 3.92Å
426E88.7Confident83.9Confident5 Ų549.7 Ų49.72%0.02326%0.26CS..Hα-helixtrans-59.1-39.9175.2-172.117411000112.5E422 L423 E424 M429 R430 Y443 R444 Q445E422-E426 WeakPolarHBondContact O-CB 3.46Å; E422-E426 PolarHBondContact O-N 2.96Å; L423-E426 PolarHBondContact O-N 3Å; E424-E426 VanDerWaalsContact C-N 3.34Å; E424-E426 PolarHBondContact O-N 2.94Å; E426-M429 PolarHBondContact O-N 3.42Å; E426-R430 PolarHBondContact O-N 3.09Å; E426-R430 VanDerWaalsContact O-N 3.11Å; E426-R430 IonicContact OE1-CZ 2.7Å; E426-R430 IonicContact OE1-NH1 2.98Å; E426-R430 IonicContact OE1-NH2 3.92Å; E426-R430 PolarHBondContact OE1-NH2 3.1Å; E426-Y443 HydrophobicContact CG-CD1 3.63Å; E426-Y443 HydrophobicContact CG-CE1 4.22Å; E426-R444 WeakPolarHBondContact OE2-CA 3.28Å; E426-R444 WeakPolarHBondContact OE2-CB 3.29Å; E426-R444 PolarHBondContact OE2-N 3.02Å; E426-Q445 PolarHBondContact OE1-N 3.24Å
427A88.4Confident84.8Confident50 Ų5044.6 Ų44.641%0.41324%0.243SC..Hα-helixtrans-64.5-40174.300000112.8L423 E424 F425 R430 H431L423-A427 PolarHBondContact O-N 3.11Å; L423-A427 VanDerWaalsContact O-N 3.12Å; E424-A427 WeakPolarHBondContact O-CB 3.42Å; E424-A427 PolarHBondContact O-N 3.06Å; E424-A427 VanDerWaalsContact O-N 3.15Å; F425-A427 VanDerWaalsContact C-N 3.31Å; F425-A427 PolarHBondContact O-N 3.41Å; A427-R430 WeakPolarHBondContact O-CB 3.16Å; A427-R430 PolarHBondContact O-N 3.19Å; A427-H431 PolarHBondContact O-N 3.4Å; A427-H431 VanDerWaalsContact O-N 3.12Å
428M90.8Very high85.8Confident32 Ų3246.9 Ų46.916%0.15824%0.239CC..Hα-helixtrans-68.1-32.1174.7-78.1176.2-77.900113L149 F153 W325 E424 F425 H431 L432L149-M428 HydrophobicContact CD1-CB 4.05Å; L149-M428 HydrophobicContact CD1-SD 4.15Å; L149-M428 HydrophobicContact CD2-CB 4.01Å; L149-M428 HydrophobicContact CD2-CG 4.49Å; F153-M428 HydrophobicContact CE2-SD 4.01Å; F153-M428 HydrophobicContact CZ-SD 4.15Å; W325-M428 VanDerWaalsContact CD1-CE 3.5Å; W325-M428 HydrophobicContact CZ2-SD 4.26Å; W325-M428 PolarHBondContact NE1-SD 3.07Å; E424-M428 VanDerWaalsContact C-CE 3.49Å; E424-M428 HydrophobicContact CB-CE 4.02Å; E424-M428 VanDerWaalsContact O-CE 3.26Å; E424-M428 WeakPolarHBondContact O-CE 3.04Å; E424-M428 PolarHBondContact O-N 3Å; F425-M428 PolarHBondContact O-N 3Å; F425-M428 VanDerWaalsContact O-N 3.15Å; M428-H431 WeakPolarHBondContact O-CB 3.24Å; M428-H431 PolarHBondContact O-N 2.72Å; M428-L432 PolarHBondContact O-N 2.75Å
429M91.7Very high86.4Confident0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-65.4-41.3171.5-61.8-64101.300111.2L149 F425 E426 H431 L432 D433 T439 H441 Y443L149-M429 HydrophobicContact CD1-CE 3.82Å; L149-M429 HydrophobicContact CG-CE 4.33Å; F425-M429 HydrophobicContact CD1-CE 4.23Å; F425-M429 HydrophobicContact CD1-CG 3.79Å; F425-M429 HydrophobicContact CD1-SD 4.27Å; F425-M429 HydrophobicContact CD2-CE 4.46Å; F425-M429 HydrophobicContact CE1-CE 3.7Å; F425-M429 HydrophobicContact CE1-CG 3.63Å; F425-M429 HydrophobicContact CE1-SD 3.54Å; F425-M429 VanDerWaalsContact CE1-SD 3.54Å; F425-M429 HydrophobicContact CE2-CE 3.96Å; F425-M429 HydrophobicContact CZ-CE 3.55Å; F425-M429 HydrophobicContact CZ-CG 4.44Å; F425-M429 HydrophobicContact CZ-SD 3.84Å; F425-M429 VanDerWaalsContact O-CG 3.29Å; F425-M429 WeakPolarHBondContact O-CG 3.32Å; F425-M429 PolarHBondContact O-N 3.5Å; E426-M429 PolarHBondContact O-N 3.42Å; M429-H431 PolarHBondContact O-N 2.67Å; M429-L432 HydrophobicContact CE-CD1 3.88Å; M429-L432 PolarHBondContact O-N 3.33Å; M429-D433 PolarHBondContact O-N 3.49Å; M429-T439 HydrophobicContact CB-CG2 4.43Å; M429-T439 HydrophobicContact SD-CG2 3.85Å; M429-H441 HydrophobicContact CB-CB 3.85Å; M429-H441 HydrophobicContact CG-CB 3.94Å; M429-H441 WeakPolarHBondContact CG-ND1 3.38Å; M429-H441 HydrophobicContact SD-CB 4.45Å; M429-Y443 HydrophobicContact CB-CE1 3.89Å; M429-Y443 PolarHBondContact O-OH 3.22Å; M429-Y443 VanDerWaalsContact O-OH 3.05Å
430R88.5Confident86.7Confident49 Ų4940.6 Ų40.619%0.18523%0.227CC..Hα-helixtrans-58.2-39.4172.8-64.9-175.5-172.593.93.5111.4E426 A427 D433 N434 Y443 Q445E426-R430 PolarHBondContact O-N 3.09Å; E426-R430 VanDerWaalsContact O-N 3.11Å; E426-R430 IonicContact OE1-CZ 2.7Å; E426-R430 IonicContact OE1-NH1 2.98Å; E426-R430 IonicContact OE1-NH2 3.92Å; E426-R430 PolarHBondContact OE1-NH2 3.1Å; A427-R430 WeakPolarHBondContact O-CB 3.16Å; A427-R430 PolarHBondContact O-N 3.19Å; R430-D433 PolarHBondContact O-N 2.96Å; R430-N434 VanDerWaalsContact O-CB 3.31Å; R430-N434 WeakPolarHBondContact O-CB 3.32Å; R430-N434 PolarHBondContact O-N 2.58Å; R430-N434 PolarHBondContact O-ND2 2.83Å; R430-Y443 HydrophobicContact CB-CE1 4.27Å; R430-Y443 HydrophobicContact CG-CD1 3.8Å; R430-Y443 HydrophobicContact CG-CE1 3.36Å; R430-Y443 PolarHBondContact N-OH 2.77Å; R430-Q445 PolarHBondContact NH2-O 3.42Å
431H88.6Confident86.9Confident106 Ų10640.7 Ų40.749%0.49123%0.227SC..Hα-helixtrans-62.6-47.4176.4-17299.6000111.9A427 M428 M429 D433 N434 A435A427-H431 PolarHBondContact O-N 3.4Å; A427-H431 VanDerWaalsContact O-N 3.12Å; M428-H431 WeakPolarHBondContact O-CB 3.24Å; M428-H431 PolarHBondContact O-N 2.72Å; M429-H431 PolarHBondContact O-N 2.67Å; H431-D433 PolarHBondContact O-N 3.02Å; H431-N434 PolarHBondContact O-N 3.09Å; H431-A435 PolarHBondContact O-N 3.3Å
432L89.1Confident86.9Confident5 Ų547 Ų473%0.02626%0.26CS..Hα-helixtrans-63.7-38.6176-72.6178.7000113.1I121 R148 L149 L152 M428 M429 A435 G436 C437 T439I121-L432 HydrophobicContact CD1-CD1 4.16Å; R148-L432 HydrophobicContact CB-CD1 4.2Å; R148-L432 HydrophobicContact CB-CD2 4.02Å; L149-L432 HydrophobicContact CD2-CD1 3.74Å; L149-L432 HydrophobicContact CD2-CD2 4.2Å; L149-L432 HydrophobicContact CD2-CG 3.85Å; L149-L432 HydrophobicContact CG-CD1 4.02Å; L152-L432 HydrophobicContact CD2-CD2 4.24Å; M428-L432 PolarHBondContact O-N 2.75Å; M429-L432 HydrophobicContact CE-CD1 3.88Å; M429-L432 PolarHBondContact O-N 3.33Å; L432-A435 PolarHBondContact O-N 2.89Å; L432-G436 PolarHBondContact O-N 3.02Å; L432-C437 HydrophobicContact CB-CB 4.25Å; L432-C437 VanDerWaalsContact O-CB 3.25Å; L432-C437 WeakPolarHBondContact O-CB 3.28Å; L432-C437 PolarHBondContact O-N 2.61Å; L432-T439 HydrophobicContact CB-CG2 3.51Å; L432-T439 HydrophobicContact CD1-CG2 3.9Å; L432-T439 HydrophobicContact CG-CG2 4.38Å
433D88.2Confident86.8Confident51 Ų5149 Ų4927%0.27327%0.266SS..Hα-helixtrans-69.1-37.2176-80.3-8.5000112.1M429 R430 H431 A435 G436 R438 T439 Y443M429-D433 PolarHBondContact O-N 3.49Å; R430-D433 PolarHBondContact O-N 2.96Å; H431-D433 PolarHBondContact O-N 3.02Å; D433-A435 VanDerWaalsContact C-N 3.32Å; D433-A435 PolarHBondContact O-N 3.03Å; D433-G436 WeakPolarHBondContact O-CA 3.21Å; D433-G436 PolarHBondContact O-N 3.19Å; D433-R438 VanDerWaalsContact OD1-CA 3.29Å; D433-R438 WeakPolarHBondContact OD1-CA 3.41Å; D433-R438 PolarHBondContact OD1-N 3.3Å; D433-T439 VanDerWaalsContact CG-OG1 3.25Å; D433-T439 WeakPolarHBondContact OD1-CB 3.24Å; D433-T439 WeakPolarHBondContact OD1-CG2 3.38Å; D433-T439 PolarHBondContact OD1-N 2.71Å; D433-T439 PolarHBondContact OD1-OG1 2.84Å; D433-T439 PolarHBondContact OD2-OG1 3.34Å; D433-T439 VanDerWaalsContact OD2-OG1 3.09Å; D433-Y443 VanDerWaalsContact CG-OH 3.25Å; D433-Y443 WeakPolarHBondContact OD2-CE2 3.33Å; D433-Y443 PolarHBondContact OD2-OH 3.49Å
434N85.8Confident86.2Confident144 Ų14451.9 Ų51.977%0.7728%0.275SS*.Hα-helixtrans-64.9-34.4172.2-72.4-18000112.3R430 H431 G436R430-N434 VanDerWaalsContact O-CB 3.31Å; R430-N434 WeakPolarHBondContact O-CB 3.32Å; R430-N434 PolarHBondContact O-N 2.58Å; R430-N434 PolarHBondContact O-ND2 2.83Å; H431-N434 PolarHBondContact O-N 3.09Å; N434-G436 PolarHBondContact O-N 3.08Å
435A85.2Confident85Confident47 Ų4754.2 Ų54.239%0.38829%0.286SS..THydrogen-bonded Turntrans-70.3-7.7170.300000113.4H431 L432 D433H431-A435 PolarHBondContact O-N 3.3Å; L432-A435 PolarHBondContact O-N 2.89Å; D433-A435 VanDerWaalsContact C-N 3.32Å; D433-A435 PolarHBondContact O-N 3.03Å
436G82.3Confident83.2Confident33 Ų3358 Ų5834%0.3430%0.303SS..THydrogen-bonded Turntrans90.25.2178.700000114.8L432 D433 N434 R438L432-G436 PolarHBondContact O-N 3.02Å; D433-G436 WeakPolarHBondContact O-CA 3.21Å; D433-G436 PolarHBondContact O-N 3.19Å; N434-G436 PolarHBondContact O-N 3.08Å; G436-R438 PolarHBondContact O-N 3.01Å
437C81.7Confident81.2Confident14 Ų1461 Ų6110%0.09533%0.329CS..  trans-70.3-13.7-174.7-56.40000114.3V118 P120 I121 L432V118-C437 HydrophobicContact CG1-CB 4.28Å; P120-C437 CarbonylContact C-O 3.37Å; P120-C437 WeakPolarHBondContact CA-O 3.41Å; I121-C437 HydrophobicContact CD1-CB 3.61Å; I121-C437 HydrophobicContact CG1-CB 4.14Å; I121-C437 WeakPolarHBondContact CG1-O 3.26Å; I121-C437 PolarHBondContact N-O 2.63Å; L432-C437 HydrophobicContact CB-CB 4.25Å; L432-C437 VanDerWaalsContact O-CB 3.25Å; L432-C437 WeakPolarHBondContact O-CB 3.28Å; L432-C437 PolarHBondContact O-N 2.61Å
438R86.9Confident78.7Confident143 Ų14366.7 Ų66.754%0.5435%0.349SS..  trans48.864176.9-62-178.9-179.7-146.9-2112.8P120 N122 D433 G436 G440P120-R438 HydrophobicContact CB-CB 4.26Å; N122-R438 WeakPolarHBondContact CB-O 3.44Å; N122-R438 PolarHBondContact N-O 3.13Å; D433-R438 VanDerWaalsContact OD1-CA 3.29Å; D433-R438 WeakPolarHBondContact OD1-CA 3.41Å; D433-R438 PolarHBondContact OD1-N 3.3Å; G436-R438 PolarHBondContact O-N 3.01Å; R438-G440 PolarHBondContact O-N 2.9Å
439T88.1Confident75.9Confident1 Ų167.8 Ų67.81%0.00636%0.363CS..  trans-50.4-35.4175.361.70000113.3I121 M429 L432 D433 H441I121-T439 HydrophobicContact CD1-CG2 3.85Å; M429-T439 HydrophobicContact CB-CG2 4.43Å; M429-T439 HydrophobicContact SD-CG2 3.85Å; L432-T439 HydrophobicContact CB-CG2 3.51Å; L432-T439 HydrophobicContact CD1-CG2 3.9Å; L432-T439 HydrophobicContact CG-CG2 4.38Å; D433-T439 VanDerWaalsContact CG-OG1 3.25Å; D433-T439 WeakPolarHBondContact OD1-CB 3.24Å; D433-T439 WeakPolarHBondContact OD1-CG2 3.38Å; D433-T439 PolarHBondContact OD1-N 2.71Å; D433-T439 PolarHBondContact OD1-OG1 2.84Å; D433-T439 PolarHBondContact OD2-OG1 3.34Å; D433-T439 VanDerWaalsContact OD2-OG1 3.09Å; T439-H441 VanDerWaalsContact C-N 3.25Å; T439-H441 WeakPolarHBondContact OG1-CB 3.3Å; T439-H441 PolarHBondContact OG1-N 2.89Å; T439-H441 VanDerWaalsContact OG1-N 3.08Å
440G82.8Confident72.9Confident38 Ų3872.7 Ų72.739%0.39240%0.397SS..  trans70.122.2-168.100000113.2R438R438-G440 PolarHBondContact O-N 2.9Å
441H86.1Confident70.1Confident29 Ų2975.9 Ų75.913%0.13442%0.424CS..  trans-66.9149.3176.9-160.685.9000111.8F425 M429 T439 Y443F425-H441 AromaticContact CD1-CE1 3.73Å; F425-H441 AromaticContact CE1-CE1 3.7Å; F425-H441 AromaticContact CE1-ND1 3.92Å; M429-H441 HydrophobicContact CB-CB 3.85Å; M429-H441 HydrophobicContact CG-CB 3.94Å; M429-H441 WeakPolarHBondContact CG-ND1 3.38Å; M429-H441 HydrophobicContact SD-CB 4.45Å; T439-H441 VanDerWaalsContact C-N 3.25Å; T439-H441 WeakPolarHBondContact OG1-CB 3.3Å; T439-H441 PolarHBondContact OG1-N 2.89Å; T439-H441 VanDerWaalsContact OG1-N 3.08Å; H441-Y443 HydrophobicContact CB-CE1 4.5Å; H441-Y443 HydrophobicContact CB-CE2 4.39Å
442L83.7Confident67.2Low134 Ų13477 Ų7770%0.70243%0.43SS*.  trans-100.293.8174.7-65.6176.8000108.5
443Y82.7Confident64.3Low77 Ų7788.1 Ų88.130%0.30247%0.471SS..  trans-62.5135.1178.3-61.8-75.1000111.7E426 M429 R430 D433 H441E426-Y443 HydrophobicContact CG-CD1 3.63Å; E426-Y443 HydrophobicContact CG-CE1 4.22Å; M429-Y443 HydrophobicContact CB-CE1 3.89Å; M429-Y443 PolarHBondContact O-OH 3.22Å; M429-Y443 VanDerWaalsContact O-OH 3.05Å; R430-Y443 HydrophobicContact CB-CE1 4.27Å; R430-Y443 HydrophobicContact CG-CD1 3.8Å; R430-Y443 HydrophobicContact CG-CE1 3.36Å; R430-Y443 PolarHBondContact N-OH 2.77Å; D433-Y443 VanDerWaalsContact CG-OH 3.25Å; D433-Y443 WeakPolarHBondContact OD2-CE2 3.33Å; D433-Y443 PolarHBondContact OD2-OH 3.49Å; H441-Y443 HydrophobicContact CB-CE1 4.5Å; H441-Y443 HydrophobicContact CB-CE2 4.39Å
444R73.6Confident61.5Low96 Ų9690.6 Ų90.636%0.36249%0.492SS..SBendtrans-92.9-39176.3-173.3-174171.3-162.6-6.4112.3A415 R416 W418 E426A415-R444 PolarHBondContact O-NH2 3.05Å; R416-R444 PolarHBondContact O-NH1 3.37Å; R416-R444 PolarHBondContact O-NH2 3.47Å; W418-R444 HydrophobicContact CH2-CB 3.99Å; W418-R444 HydrophobicContact CH2-CG 4.37Å; W418-R444 HydrophobicContact CZ3-CB 4.42Å; E426-R444 WeakPolarHBondContact OE2-CA 3.28Å; E426-R444 WeakPolarHBondContact OE2-CB 3.29Å; E426-R444 PolarHBondContact OE2-N 3.02Å
445Q61.2Low58.7Low84 Ų8494.8 Ų94.839%0.39350%0.497SS..SBendtrans-99132.1165.5-74.2178.4-5.400109.2W418 E426 R430W418-Q445 HydrophobicContact CZ2-CG 4Å; E426-Q445 PolarHBondContact OE1-N 3.24Å; R430-Q445 PolarHBondContact NH2-O 3.42Å
446E52.5Low56.1Low79 Ų79101.7 Ų101.737%0.36952%0.519SS..  trans-68.1146.7162.5-63.4-161.1-167.900109.5M448 T483E446-M448 PolarHBondContact O-N 2.86Å; E446-M448 VanDerWaalsContact O-N 3.1Å; E446-T483 HydrophobicContact CG-CG2 4.27Å; E446-T483 WeakPolarHBondContact OE1-CG2 3.39Å; E446-T483 VanDerWaalsContact OE2-C 3.27Å
447A46.4Very low53.8Low68 Ų68105.2 Ų105.256%0.56254%0.538SS*.  trans-64.2115.4177.800000108.8A449A447-A449 PolarHBondContact O-N 3.45Å
448M36.4Very low51.4Low171 Ų171113.2 Ų113.284%0.84257%0.571SS**  trans-59.2109.8-173.1-68.5-161.7-168.500111.2E446E446-M448 PolarHBondContact O-N 2.86Å; E446-M448 VanDerWaalsContact O-N 3.1Å
449A33.2Very low48.7Very low54 Ų54112.2 Ų112.245%0.44658%0.581SS.*  trans-57.7147.1156.600000108.8A447A447-A449 PolarHBondContact O-N 3.45Å
450S27.6Very low46.1Very low103 Ų103117.5 Ų117.572%0.7261%0.613SS**SBendtrans-43.4128.4-177.3-175.20000111.5H452S450-H452 PolarHBondContact O-N 2.75Å; S450-H452 VanDerWaalsContact O-N 3.07Å
451P30.9Very low43.7Very low117 Ų117123 Ų12376%0.7663%0.633SS**  trans-56.3118.4-164.420.6-33.6000110.8R453P451-R453 PolarHBondContact O-N 3.32Å
452H27.8Very low41.1Very low130 Ų130124.6 Ų124.660%0.60266%0.657SS**  trans-54.8115.1179.3-90.523.9000109.9S450 S454 Y488S450-H452 PolarHBondContact O-N 2.75Å; S450-H452 VanDerWaalsContact O-N 3.07Å; H452-S454 PolarHBondContact O-N 3.34Å; H452-Y488 AromaticContact CD2-CE1 3.56Å; H452-Y488 AromaticContact CD2-CZ 3.57Å; H452-Y488 AromaticContact CG-CZ 3.79Å; H452-Y488 VanDerWaalsContact CG-OH 3.25Å; H452-Y488 AromaticContact NE2-CZ 3.78Å
453R26.8Very low38.8Very low238 Ų238127.5 Ų127.590%0.89867%0.667SS**  trans-57.5107.3-177.9-174.2-175.6-168-139.16.2108.8P451 R455P451-R453 PolarHBondContact O-N 3.32Å; R453-R455 PolarHBondContact O-N 2.53Å
454S29.3Very low36.2Very low102 Ų102128 Ų12871%0.71369%0.694SS**  trans-59104.1-175.349.10000110.6H452 K456H452-S454 PolarHBondContact O-N 3.34Å; S454-K456 PolarHBondContact O-N 3.34Å
455R28.3Very low34.1Very low232 Ų232127 Ų12788%0.87572%0.715SS**  trans-67.984.7173.3-98-176.5165.3168.2-3.3107.9R453 S457R453-R455 PolarHBondContact O-N 2.53Å; R455-S457 PolarHBondContact O-N 2.61Å
456K30.8Very low32.6Very low193 Ų193128.1 Ų128.184%0.83974%0.738SS**  trans-55.2104.7160.6-72.2-173.1177.1-176.80107.1S454 K458S454-K456 PolarHBondContact O-N 3.34Å; K456-K458 VanDerWaalsContact C-N 3.27Å; K456-K458 PolarHBondContact O-N 3.19Å
457S32.4Very low31.4Very low106 Ų106128.1 Ų128.174%0.74176%0.76SS**  trans-68.285.5177.740.80000109.2R455 V459R455-S457 PolarHBondContact O-N 2.61Å; S457-V459 PolarHBondContact O-N 3.42Å
458K32.8Very low30.6Very low183 Ų183131.2 Ų131.280%0.79678%0.775SS**  trans-73.582.7176.2-166.3-175.9-180-177.10109.1K456 V460K456-K458 VanDerWaalsContact C-N 3.27Å; K456-K458 PolarHBondContact O-N 3.19Å; K458-V460 HydrophobicContact CG-CG2 4.23Å; K458-V460 PolarHBondContact O-N 3.43Å
459V29.1Very low30.5Very low122 Ų122131.6 Ų131.674%0.73978%0.775SS**  trans-59.9107.7174.8-178.80000108.9S457S457-V459 PolarHBondContact O-N 3.42Å
460V34.2Very low30.5Very low112 Ų112136 Ų13668%0.67979%0.791SS**  trans-137.3121.3167-179.90000107.1K458K458-V460 HydrophobicContact CG-CG2 4.23Å; K458-V460 PolarHBondContact O-N 3.43Å
461N32Very low30.8Very low154 Ų154135.9 Ų135.982%0.82478%0.783SS**  trans-75.8143179.7-68.1-25.3000111.3
462G31.7Very low31.3Very low61 Ų61137 Ų13763%0.62978%0.782SS**  trans119129.1147.600000117.6
463H34.3Very low32.1Very low196 Ų196134.8 Ų134.891%0.90777%0.774SS**  trans61.876145.6-57.194.3000119
464G28.8Very low32.8Very low86 Ų86130.4 Ų130.489%0.88776%0.763SS**  62.7115.6111.900000119.9
465G28.6Very low33.3Very low76 Ų76129.8 Ų129.878%0.78476%0.755SS**  trans168.3105.2165.100000114
466A31.3Very low33.5Very low108 Ų108122.3 Ų122.389%0.89374%0.737SS**  trans27.897.6157.200000120.3
467G27.5Very low33.8Very low79 Ų79118.5 Ų118.581%0.81473%0.732SS**  6088.4125.500000120.4
468C28.7Very low34.1Very low132 Ų132119.3 Ų119.389%0.89274%0.737SS**  trans-106.6149.2144.6-75.70000109.1
469Q34.1Very low34.5Very low179 Ų179114.4 Ų114.484%0.83673%0.731SS**  trans-90.5139.4-172.9-66.8165.3-14.700111.4D471Q469-D471 PolarHBondContact O-N 2.98Å
470D33.1Very low34.9Very low147 Ų147110.7 Ų110.779%0.78671%0.711SS**  trans-78.6104.2168-74.2-61.9000109.7D472D470-D472 VanDerWaalsContact C-N 3.29Å; D470-D472 PolarHBondContact O-N 2.87Å
471D34.4Very low35Very low101 Ų101109 Ų10954%0.5470%0.704SS.*  trans-75.277.6172.4-87.6-31.8000110.5Q469 I473 K523Q469-D471 PolarHBondContact O-N 2.98Å; D471-I473 PolarHBondContact O-N 2.74Å; D471-I473 VanDerWaalsContact O-N 3.14Å; D471-K523 IonicContact OD1-NZ 3.55Å; D471-K523 PolarHBondContact OD1-NZ 2.84Å; D471-K523 IonicContact OD2-NZ 3.29Å; D471-K523 PolarHBondContact OD2-NZ 2.9Å
472D41.5Very low35.2Very low140 Ų140105.5 Ų105.575%0.74969%0.688SS**  trans-75.993.9-177-1358.1000111.5D470D470-D472 VanDerWaalsContact C-N 3.29Å; D470-D472 PolarHBondContact O-N 2.87Å
473I43.8Very low35.7Very low83 Ų83106 Ų10643%0.42668%0.678SS.*  trans-10098.7-178.8-63172.4000111.2D471 P521D471-I473 PolarHBondContact O-N 2.74Å; D471-I473 VanDerWaalsContact O-N 3.14Å; I473-P521 HydrophobicContact CG2-CB 3.67Å
474Q41.7Very low35.9Very low146 Ų14698.2 Ų98.268%0.68265%0.648SS**PPolyproline II helixtrans-83.5125.9172.3-64.7-175-2.700111.4
475V39.7Very low36.4Very low90 Ų9098.2 Ų98.255%0.54563%0.631SS.*PPolyproline II helixtrans-76.4135.1173.11790000109.1A479V475-A479 HydrophobicContact CG1-CB 4.07Å
476P33.1Very low36.9Very low75 Ų7595.6 Ų95.649%0.48760%0.599SS.*PPolyproline II helixtrans-64.3142.1177.625.7-34.4000111.3S478 A479P476-S478 PolarHBondContact O-N 2.89Å; P476-A479 PolarHBondContact O-N 2.9Å; P476-A479 VanDerWaalsContact O-N 3.09Å
477P37.5Very low37.3Very low113 Ų11393.4 Ų93.473%0.73458%0.58SS**THydrogen-bonded Turntrans-70.717.1-172.131-38.2000114.8
478S39.2Very low37.7Very low122 Ų12295.6 Ų95.685%0.85357%0.565SS**THydrogen-bonded Turntrans-105.7-10.2173.6-48.70000113P476P476-S478 PolarHBondContact O-N 2.89Å
479A40.6Very low38.2Very low80 Ų8097.6 Ų97.666%0.66156%0.555SS**THydrogen-bonded Turntrans-113.7-27.3-176.900000113.5V475 P476V475-A479 HydrophobicContact CG1-CB 4.07Å; P476-A479 PolarHBondContact O-N 2.9Å; P476-A479 VanDerWaalsContact O-N 3.09Å
480S36.6Very low38.4Very low45 Ų4595.1 Ų95.132%0.31554%0.539SS..SBendtrans-93122.5170.354.90000110.2V482S480-V482 PolarHBondContact O-N 3.49Å
481S37.1Very low38.5Very low76 Ų7695.8 Ų95.853%0.53154%0.543SS..  trans-58.9132.7171.3-1760000110.4T483 A484S481-T483 PolarHBondContact O-N 3.42Å; S481-T483 VanDerWaalsContact O-N 3.11Å; S481-T483 PolarHBondContact OG-OG1 2.94Å; S481-A484 PolarHBondContact O-N 3.49Å
482V36.3Very low38.6Very low81 Ų8198.6 Ų98.649%0.49156%0.558SS.*THydrogen-bonded Turntrans-59.2-23.7179.5174.10000112.2S480 M486S480-V482 PolarHBondContact O-N 3.49Å; V482-M486 HydrophobicContact CG1-CE 4.31Å
483T41Very low38.2Very low70 Ų7095.8 Ų95.843%0.42956%0.561SS.*Hα-helixtrans-55.4-52171.5-27.90000111.4E446 S481 T485 M486E446-T483 HydrophobicContact CG-CG2 4.27Å; E446-T483 WeakPolarHBondContact OE1-CG2 3.39Å; E446-T483 VanDerWaalsContact OE2-C 3.27Å; S481-T483 PolarHBondContact O-N 3.42Å; S481-T483 VanDerWaalsContact O-N 3.11Å; S481-T483 PolarHBondContact OG-OG1 2.94Å; T483-T485 PolarHBondContact O-N 3.02Å; T483-M486 WeakPolarHBondContact O-CB 3.42Å; T483-M486 PolarHBondContact O-N 3.3Å
484A39.2Very low37.7Very low34 Ų3498 Ų9828%0.28158%0.579SS.*Hα-helixtrans-68.4-12.5-171.600000114.4S481S481-A484 PolarHBondContact O-N 3.49Å
485T38.5Very low37Very low85 Ų8599.7 Ų99.752%0.52159%0.591SS.*Hα-helixtrans-87.5-19.2171.8-41.50000112T483T483-T485 PolarHBondContact O-N 3.02Å
486M39Very low36.6Very low22 Ų22101 Ų10111%0.10861%0.605CS.*Hα-helixtrans-93.6-30.7-171-145.782.872.400113.3M82 N83 V482 T483 Y488M82-M486 HydrophobicContact CB-CG 4Å; M82-M486 HydrophobicContact CB-SD 4.34Å; M82-M486 HydrophobicContact CE-CB 3.92Å; M82-M486 HydrophobicContact CE-CE 4.39Å; M82-M486 HydrophobicContact CE-CG 3.63Å; M82-M486 HydrophobicContact CG-CG 3.73Å; N83-M486 HydrophobicContact CB-CE 4.14Å; N83-M486 HydrophobicContact CB-SD 4.41Å; V482-M486 HydrophobicContact CG1-CE 4.31Å; T483-M486 WeakPolarHBondContact O-CB 3.42Å; T483-M486 PolarHBondContact O-N 3.3Å; M486-Y488 PolarHBondContact O-N 2.82Å; M486-Y488 VanDerWaalsContact O-N 3.14Å
487A41.3Very low36.4Very low61 Ų61101.1 Ų101.150%0.50462%0.619SS.*THydrogen-bonded Turntrans-62.6-14.5172.800000114Y489A487-Y489 PolarHBondContact O-N 2.92Å
488Y35.3Very low36.2Very low125 Ų125103 Ų10349%0.4962%0.623SS.*THydrogen-bonded Turntrans-84.10.4-176.1-96.8-70.6000116H452 M486H452-Y488 AromaticContact CD2-CE1 3.56Å; H452-Y488 AromaticContact CD2-CZ 3.57Å; H452-Y488 AromaticContact CG-CZ 3.79Å; H452-Y488 VanDerWaalsContact CG-OH 3.25Å; H452-Y488 AromaticContact NE2-CZ 3.78Å; M486-Y488 PolarHBondContact O-N 2.82Å; M486-Y488 VanDerWaalsContact O-N 3.14Å
489Y39.1Very low35.6Very low174 Ų174106.2 Ų106.268%0.68263%0.625SS**SBendtrans-126.1-7.6-171.7-85.3-80.7000116.5A487A487-Y489 PolarHBondContact O-N 2.92Å
490Y38.6Very low35.4Very low127 Ų127108.1 Ų108.150%0.49863%0.628SS.*  trans-136.453.5-167.4-65.3-67000114.9P80 G81P80-Y490 WeakPolarHBondContact O-CD1 3.45Å; G81-Y490 VanDerWaalsContact CA-CE1 3.5Å; G81-Y490 WeakPolarHBondContact O-CE2 3.38Å
491D34.9Very low35.2Very low162 Ų162115 Ų11587%0.86666%0.655SS**SBendtrans-139.760.3160.4-161.719.7000110.5
492D36.7Very low35.2Very low160 Ų160118 Ų11886%0.85667%0.671SS**  trans-159.597.3162.1-128.3-23.9000109.4
493G33.7Very low35.2Very low80 Ų80120 Ų12083%0.82569%0.685SS**  trans-128.480.7-169.400000113.2
494V32.8Very low34.6Very low131 Ų131127 Ų12779%0.79470%0.703SS**  trans-115.3119.7174.3-176.80000110.6S496V494-S496 PolarHBondContact O-N 3.08Å
495L27.4Very low34.5Very low180 Ų180130.7 Ų130.794%0.94273%0.725SS**  trans-74.3110.9175.9-67.8167.8000110.7
496S31.5Very low34.3Very low119 Ų119131.6 Ų131.683%0.83273%0.734SS**  trans-148.2129.4156.1-168.10000108.1V494V494-S496 PolarHBondContact O-N 3.08Å
497G28.8Very low34.5Very low76 Ų76135.4 Ų135.478%0.78476%0.759SS**  trans-96.5145.8-172.500000113.2
498D32.5Very low34.3Very low153 Ų153137 Ų13782%0.81876%0.759SS**  -149.2150.3129.7-150.7-16.4000109.3
499E26.7Very low34.4Very low190 Ų190141.7 Ų141.789%0.88878%0.776SS**  trans-101.192.3178.8-76-154.1157.300111.3
500T37.3Very low34.4Very low119 Ų119143 Ų14373%0.7378%0.779SS**  trans-141.3124.3165.928.60000114.5
501E32Very low34.5Very low190 Ų190143.5 Ų143.589%0.88879%0.786SS**  trans29.1104.9151.5-52.8-163.8157.400120.7
502T36Very low34.6Very low139 Ų139142.7 Ų142.785%0.85378%0.775SS**  trans-154.3154.3141.613.90000110.8
503P35.8Very low34.8Very low122 Ų122139.2 Ų139.279%0.79276%0.763SS**  trans-84.4150.1-160.332.2-35.8000115.4
504R30.5Very low35Very low217 Ų217142 Ų14282%0.81976%0.759SS**  trans-65.6145.8-178.5-67-178176.5179.9-1.3113.1S506R504-S506 PolarHBondContact O-N 2.84Å
505P35.3Very low35.3Very low112 Ų112143.6 Ų143.673%0.72776%0.756SS**THydrogen-bonded Turntrans-7739.7-175.633.3-38.4000114.9
506S36Very low35.5Very low104 Ų104142.8 Ų142.873%0.72775%0.747SS**THydrogen-bonded Turntrans-86.8-11.617653.90000114R504R504-S506 PolarHBondContact O-N 2.84Å
507T42.5Very low35.5Very low103 Ų103149 Ų14963%0.63275%0.752SS**SBendtrans-88.7-42-178.448.10000113.5R509 R510T507-R509 PolarHBondContact O-N 3.27Å; T507-R510 PolarHBondContact O-N 3.11Å
508L37.2Very low35.7Very low94 Ų94152.6 Ų152.649%0.49275%0.747SS.*Hα-helixtrans-51.9-33.5-174.9-92.6162.5000114.3R510 E511 F512L508-R510 PolarHBondContact O-N 2.83Å; L508-E511 PolarHBondContact O-N 3.31Å; L508-F512 HydrophobicContact CD2-CE2 4.41Å; L508-F512 WeakPolarHBondContact O-CD2 3.07Å
509R36.6Very low35.9Very low224 Ų224152.5 Ų152.585%0.84575%0.746SS**Hα-helixtrans-61.5-16.9-179.7-164170.2-170.1163.36.7113.7T507T507-R509 PolarHBondContact O-N 3.27Å
510R40Very low36.4Very low201 Ų201147.5 Ų147.576%0.75873%0.729SS**Hα-helixtrans-86.2-39.7180-163.7169.6174.8-164.6-5.7112.9T507 L508 F512 S513T507-R510 PolarHBondContact O-N 3.11Å; L508-R510 PolarHBondContact O-N 2.83Å; R510-F512 VanDerWaalsContact C-N 3.33Å; R510-F512 PolarHBondContact O-N 3.13Å; R510-S513 WeakPolarHBondContact O-CB 2.98Å; R510-S513 PolarHBondContact O-N 2.81Å; R510-S513 PolarHBondContact O-OG 3.04Å
511E40Very low36.7Very low138 Ų138145 Ų14565%0.64572%0.715SS**Hα-helixtrans-69-29-175.8-62.6-173.6156.900113.5L508 S513 D514L508-E511 PolarHBondContact O-N 3.31Å; E511-S513 PolarHBondContact O-N 3.45Å; E511-S513 VanDerWaalsContact O-N 3.16Å; E511-D514 PolarHBondContact O-N 2.85Å
512F36.8Very low37.7Very low145 Ų145138.7 Ų138.764%0.63669%0.687SS**THydrogen-bonded Turntrans-66.7-7.1171-78.6-82.4000114.2L508 R510L508-F512 HydrophobicContact CD2-CE2 4.41Å; L508-F512 WeakPolarHBondContact O-CD2 3.07Å; R510-F512 VanDerWaalsContact C-N 3.33Å; R510-F512 PolarHBondContact O-N 3.13Å
513S41.2Very low38.8Very low86 Ų86137 Ų13760%0.60167%0.668SS**THydrogen-bonded Turntrans-81-30.2178.9-51.70000113.2R510 E511R510-S513 WeakPolarHBondContact O-CB 2.98Å; R510-S513 PolarHBondContact O-N 2.81Å; R510-S513 PolarHBondContact O-OG 3.04Å; E511-S513 PolarHBondContact O-N 3.45Å; E511-S513 VanDerWaalsContact O-N 3.16Å
514D38.3Very low40Very low139 Ų139135.1 Ų135.174%0.74365%0.645SS**SBendtrans-103.5-2.9-166.4-63.6-36.3000113.4E511 Q516E511-D514 PolarHBondContact O-N 2.85Å; D514-Q516 PolarHBondContact O-N 3.11Å
515K38Very low41.8Very low164 Ų164127.2 Ų127.271%0.71362%0.622SS**SBendtrans-79.4107.3174.7-73.3-171.1177-178.30111.1W517K515-W517 PolarHBondContact O-N 2.99Å
516Q32.9Very low43.7Very low164 Ų164127.9 Ų127.977%0.76661%0.613SS**  trans-60.8113.8-176.4-169.5173.4-0.500112.2D514 F518D514-Q516 PolarHBondContact O-N 3.11Å; Q516-F518 HydrophobicContact CG-CD2 4.05Å; Q516-F518 HydrophobicContact CG-CE2 4.09Å; Q516-F518 PolarHBondContact O-N 3.33Å
517W32Very low45.4Very low249 Ų249125.9 Ų125.994%0.94359%0.592SS**  trans-63.4121.3179.7-7635000111.4K515K515-W517 PolarHBondContact O-N 2.99Å
518F33.1Very low46.9Very low152 Ų152124.6 Ų124.667%0.66758%0.584SS**  trans-143121.4171.6-99.4-75000112.5Q516Q516-F518 HydrophobicContact CG-CD2 4.05Å; Q516-F518 HydrophobicContact CG-CE2 4.09Å; Q516-F518 PolarHBondContact O-N 3.33Å
519N35.3Very low48.4Very low151 Ų151124.8 Ų124.881%0.80759%0.585SS**  trans63.2164.4159.1-59.8-9.3000118.7
520T38.2Very low50Low84 Ų84122.6 Ų122.652%0.51558%0.584SS.*  trans-76.8151-170.645.40000113.4N522T520-N522 PolarHBondContact O-N 3.18Å
521P42.5Very low51Low67 Ų67115.5 Ų115.544%0.43556%0.564SS.*SBendtrans-70.613.5-175.429.8-37.8000116.3I473I473-P521 HydrophobicContact CG2-CB 3.67Å
522N53.4Low52Low57 Ų57112.5 Ų112.531%0.30556%0.562SS.*  trans-111124.5179.9-70-13.6000109.3T520 Y524 C543T520-N522 PolarHBondContact O-N 3.18Å; N522-Y524 HydrophobicContact CB-CD2 4.05Å; N522-Y524 HydrophobicContact CB-CE1 4.13Å; N522-Y524 HydrophobicContact CB-CE2 3.59Å; N522-Y524 PolarHBondContact ND2-OH 2.89Å; N522-Y524 VanDerWaalsContact ND2-OH 3.12Å; N522-Y524 WeakPolarHBondContact O-CD2 3.49Å; N522-Y524 PolarHBondContact O-N 3.26Å; N522-C543 VanDerWaalsContact CG-SG 3.6Å
523K59.3Low52.9Low103 Ų103112.3 Ų112.345%0.44858%0.576SS.*  trans-65.4124.1153.8-85.1171176.2164.10107.1D471 E544D471-K523 IonicContact OD1-NZ 3.55Å; D471-K523 PolarHBondContact OD1-NZ 2.84Å; D471-K523 IonicContact OD2-NZ 3.29Å; D471-K523 PolarHBondContact OD2-NZ 2.9Å; K523-E544 HydrophobicContact CB-CB 4.02Å; K523-E544 WeakPolarHBondContact CB-OE2 3.11Å; K523-E544 WeakPolarHBondContact CD-OE2 3.4Å; K523-E544 WeakPolarHBondContact O-CB 3.14Å; K523-E544 PolarHBondContact O-N 3.11Å
524Y60.2Low54.2Low83 Ų83111.9 Ų111.933%0.32559%0.585SS.*EExtended strand (participates in β ladder)trans-109.1128.2175.2-69.9-79.2000109.8N522 W541 V542 C543N522-Y524 HydrophobicContact CB-CD2 4.05Å; N522-Y524 HydrophobicContact CB-CE1 4.13Å; N522-Y524 HydrophobicContact CB-CE2 3.59Å; N522-Y524 PolarHBondContact ND2-OH 2.89Å; N522-Y524 VanDerWaalsContact ND2-OH 3.12Å; N522-Y524 WeakPolarHBondContact O-CD2 3.49Å; N522-Y524 PolarHBondContact O-N 3.26Å; Y524-W541 HydrophobicContact CD1-CB 4.19Å; Y524-W541 HydrophobicContact CG-CB 4.35Å; Y524-W541 WeakPolarHBondContact O-CZ3 3.4Å; Y524-V542 CarbonylContact C-O 3.45Å; Y524-V542 VanDerWaalsContact CA-O 3.26Å; Y524-V542 WeakPolarHBondContact CA-O 3.4Å; Y524-C543 HydrophobicContact CD1-CB 4.47Å; Y524-C543 HydrophobicContact CE1-CB 4.33Å
525T68.5Low55Low52 Ų52112.5 Ų112.532%0.31958%0.583SS.*EExtended strand (participates in β ladder)trans-91.9132.9169.840.70000109.5E527 W541 V542T525-E527 PolarHBondContact O-N 2.88Å; T525-W541 WeakPolarHBondContact O-CA 3.36Å; T525-V542 PolarHBondContact N-O 2.88Å; T525-V542 PolarHBondContact O-N 2.98Å; T525-V542 PolarHBondContact OG1-O 3.49Å
526K74.9Confident56.4Low125 Ų125112.8 Ų112.854%0.54359%0.587SS.*EExtended strand (participates in β ladder)trans-8297.2175.5-176-168173.9-169.40109P539 H540 W541K526-P539 HydrophobicContact CD-CB 4.32Å; K526-P539 HydrophobicContact CG-CB 4.1Å; K526-H540 WeakPolarHBondContact CA-O 3.48Å; K526-W541 HydrophobicContact CB-CD2 4.21Å; K526-W541 HydrophobicContact CB-CE3 3.84Å; K526-W541 HydrophobicContact CB-CH2 3.88Å; K526-W541 HydrophobicContact CB-CZ2 4.2Å; K526-W541 HydrophobicContact CB-CZ3 3.69Å; K526-W541 HydrophobicContact CD-CZ2 4.48Å; K526-W541 HydrophobicContact CG-CZ2 4.37Å
527E71.6Confident58.2Low62 Ų62108.8 Ų108.829%0.2958%0.575SS.*EExtended strand (participates in β ladder)trans-91.7124.4173.1-73.1-179.6-153.400109.5T525 H540 V542T525-E527 PolarHBondContact O-N 2.88Å; E527-H540 VanDerWaalsContact CB-CE1 3.43Å; E527-H540 WeakPolarHBondContact CB-CE1 3.14Å; E527-H540 PolarHBondContact N-O 3.32Å; E527-H540 PolarHBondContact O-N 3.05Å; E527-H540 PolarHBondContact O-ND1 3.16Å; E527-H540 IonicContact OE2-CE1 2.78Å; E527-V542 HydrophobicContact CB-CG2 4.13Å; E527-V542 HydrophobicContact CG-CG2 4.18Å
528V75.3Confident59.5Low76 Ų76101.9 Ų101.946%0.46156%0.56SS.*EExtended strand (participates in β ladder)trans-100.4109.7176.2-178.20000107.2E530 P537 P539V528-E530 PolarHBondContact O-N 2.6Å; V528-P537 HydrophobicContact CG1-CB 3.71Å; V528-P539 HydrophobicContact CG2-CB 4.28Å
529I69.3Low61.5Low99 Ų9997.7 Ų97.751%0.50855%0.548SS..EExtended strand (participates in β ladder)trans-78.7121.7173.4-61.8171.9000107.1P531I529-P531 WeakPolarHBondContact O-CD 3.5Å
530E68.8Low62.9Low177 Ų17793.9 Ų93.983%0.82753%0.526SS*.PPolyproline II helixtrans-71.3116.9164.6-67.2-168148.700108.4V528V528-E530 PolarHBondContact O-N 2.6Å
531P60.7Low64.4Low53 Ų5397.9 Ų97.934%0.34453%0.531SS..PPolyproline II helixtrans-82.9170-17835.8-36.1000111I529 H535I529-P531 WeakPolarHBondContact O-CD 3.5Å; P531-H535 HydrophobicContact CB-CB 3.91Å; P531-H535 HydrophobicContact CG-CB 3.89Å; P531-H535 VanDerWaalsContact CG-O 3.24Å; P531-H535 WeakPolarHBondContact CG-O 3.47Å
532A62.5Low65.6Low74 Ų7495.6 Ų95.661%0.61252%0.516SS*.SBendtrans-54.3146.616500000111G534 H535A532-G534 PolarHBondContact O-N 2.86Å; A532-H535 PolarHBondContact O-N 3.41Å
533P55.3Low66.2Low141 Ų14193.2 Ų93.292%0.91650%0.504SS*.THydrogen-bonded Turntrans-58.8114.4-174.222.9-34.2000111.4
534G68.1Low66.7Low77 Ų7793 Ų9379%0.79451%0.505SS*.THydrogen-bonded Turntrans140.7-24.2-177.500000114.2A532A532-G534 PolarHBondContact O-N 2.86Å
535H55.7Low67.1Low152 Ų15296.3 Ų96.370%0.70452%0.516SS*.SBendtrans-106.5156.4177-65-81.5000112.6P531 A532P531-H535 HydrophobicContact CB-CB 3.91Å; P531-H535 HydrophobicContact CG-CB 3.89Å; P531-H535 VanDerWaalsContact CG-O 3.24Å; P531-H535 WeakPolarHBondContact CG-O 3.47Å; A532-H535 PolarHBondContact O-N 3.41Å
536Q67.1Low67Low170 Ų17099.7 Ų99.779%0.79453%0.528SS*.  trans-77.7146.9171.6-68.3-173.9-1.500110.9V538Q536-V538 PolarHBondContact O-N 3.05Å; Q536-V538 VanDerWaalsContact O-N 3.17Å
537P69.4Low66.8Low81 Ų8194.1 Ų94.153%0.52651%0.506SS..  trans-65114.8179.525.9-34.1000111.5V528 P539V528-P537 HydrophobicContact CG1-CB 3.71Å; P537-P539 WeakPolarHBondContact O-CD 3.36Å
538V59.8Low66.9Low103 Ų10394 Ų9462%0.62452%0.516SS*.EExtended strand (participates in β ladder)trans-88.4118.2-178.6-177.50000109.4Q536Q536-V538 PolarHBondContact O-N 3.05Å; Q536-V538 VanDerWaalsContact O-N 3.17Å
539P75.8Confident66.6Low64 Ų6494.3 Ų94.342%0.41652%0.518SS..EExtended strand (participates in β ladder)trans-78.8125.2172.231.7-32.3000110.4K526 V528 P537K526-P539 HydrophobicContact CD-CB 4.32Å; K526-P539 HydrophobicContact CG-CB 4.1Å; V528-P539 HydrophobicContact CG2-CB 4.28Å; P537-P539 WeakPolarHBondContact O-CD 3.36Å
540H65.4Low66.5Low72 Ų7295 Ų9533%0.33352%0.519SS..EExtended strand (participates in β ladder)trans-115.1156.9169.177.5-40.8000111.3K526 E527 V542K526-H540 WeakPolarHBondContact CA-O 3.48Å; E527-H540 VanDerWaalsContact CB-CE1 3.43Å; E527-H540 WeakPolarHBondContact CB-CE1 3.14Å; E527-H540 PolarHBondContact N-O 3.32Å; E527-H540 PolarHBondContact O-N 3.05Å; E527-H540 PolarHBondContact O-ND1 3.16Å; E527-H540 IonicContact OE2-CE1 2.78Å; H540-V542 WeakPolarHBondContact NE2-CG2 3.45Å
541W69.8Low66.8Low167 Ų16790.7 Ų90.763%0.63350%0.501SS*.EExtended strand (participates in β ladder)trans-111.5100.5-175.5-73101.2000109.1Y524 T525 K526Y524-W541 HydrophobicContact CD1-CB 4.19Å; Y524-W541 HydrophobicContact CG-CB 4.35Å; Y524-W541 WeakPolarHBondContact O-CZ3 3.4Å; T525-W541 WeakPolarHBondContact O-CA 3.36Å; K526-W541 HydrophobicContact CB-CD2 4.21Å; K526-W541 HydrophobicContact CB-CE3 3.84Å; K526-W541 HydrophobicContact CB-CH2 3.88Å; K526-W541 HydrophobicContact CB-CZ2 4.2Å; K526-W541 HydrophobicContact CB-CZ3 3.69Å; K526-W541 HydrophobicContact CD-CZ2 4.48Å; K526-W541 HydrophobicContact CG-CZ2 4.37Å
542V67.1Low67.5Low19 Ų1989.3 Ų89.312%0.11549%0.494CS..EExtended strand (participates in β ladder)trans-87.9138.6-179.4-1730000108.6Y524 T525 E527 H540 E546 A547Y524-V542 CarbonylContact C-O 3.45Å; Y524-V542 VanDerWaalsContact CA-O 3.26Å; Y524-V542 WeakPolarHBondContact CA-O 3.4Å; T525-V542 PolarHBondContact N-O 2.88Å; T525-V542 PolarHBondContact O-N 2.98Å; T525-V542 PolarHBondContact OG1-O 3.49Å; E527-V542 HydrophobicContact CB-CG2 4.13Å; E527-V542 HydrophobicContact CG-CG2 4.18Å; H540-V542 WeakPolarHBondContact NE2-CG2 3.45Å; V542-E546 HydrophobicContact CG1-CB 3.85Å; V542-A547 HydrophobicContact CB-CB 4.47Å; V542-A547 HydrophobicContact CG1-CB 3.85Å
543C66.7Low68Low7 Ų787.9 Ų87.95%0.04748%0.478CS..EExtended strand (participates in β ladder)trans-66.2136.6171.3-178.10000109.2N522 Y524 R545 E546 A547N522-C543 VanDerWaalsContact CG-SG 3.6Å; Y524-C543 HydrophobicContact CD1-CB 4.47Å; Y524-C543 HydrophobicContact CE1-CB 4.33Å; C543-R545 PolarHBondContact O-N 2.93Å; C543-E546 HydrophobicContact CB-CB 4.25Å; C543-E546 HydrophobicContact CB-CG 4.09Å; C543-E546 WeakPolarHBondContact CB-OE2 3.29Å; C543-E546 PolarHBondContact N-OE2 2.84Å; C543-E546 WeakPolarHBondContact O-CA 3.39Å; C543-E546 WeakPolarHBondContact O-CB 3.45Å; C543-E546 PolarHBondContact O-N 3.3Å; C543-A547 PolarHBondContact O-N 2.87Å
544E69.8Low68.8Low100 Ų10085.2 Ų85.247%0.46746%0.461SS..Hα-helixtrans-53.9-26.5-179.4-168174.1-126.900112.7K523 A548K523-E544 HydrophobicContact CB-CB 4.02Å; K523-E544 WeakPolarHBondContact CB-OE2 3.11Å; K523-E544 WeakPolarHBondContact CD-OE2 3.4Å; K523-E544 WeakPolarHBondContact O-CB 3.14Å; K523-E544 PolarHBondContact O-N 3.11Å; E544-A548 WeakPolarHBondContact O-CB 3.48Å; E544-A548 PolarHBondContact O-N 3.39Å; E544-A548 VanDerWaalsContact O-N 3.07Å
545R66.6Low69.3Low151 Ų15187.5 Ų87.557%0.5746%0.455SS*.Hα-helixtrans-74.6-40.5173.1-52.3-177.8-165.4-170.55.3113.2C543 A548 V549C543-R545 PolarHBondContact O-N 2.93Å; R545-A548 PolarHBondContact O-N 3.06Å; R545-V549 WeakPolarHBondContact O-CG2 3.34Å; R545-V549 PolarHBondContact O-N 2.77Å
546E67.7Low69.7Low123 Ų12383.3 Ų83.358%0.57545%0.453SS*.Hα-helixtrans-69.5-42.8175.3-69.9172.8127.200110.3V542 C543 A548 V549 H550V542-E546 HydrophobicContact CG1-CB 3.85Å; C543-E546 HydrophobicContact CB-CB 4.25Å; C543-E546 HydrophobicContact CB-CG 4.09Å; C543-E546 WeakPolarHBondContact CB-OE2 3.29Å; C543-E546 PolarHBondContact N-OE2 2.84Å; C543-E546 WeakPolarHBondContact O-CA 3.39Å; C543-E546 WeakPolarHBondContact O-CB 3.45Å; C543-E546 PolarHBondContact O-N 3.3Å; E546-A548 VanDerWaalsContact C-N 3.3Å; E546-A548 PolarHBondContact O-N 2.99Å; E546-V549 PolarHBondContact O-N 2.67Å; E546-H550 VanDerWaalsContact O-CB 3.25Å; E546-H550 WeakPolarHBondContact O-CB 3.13Å; E546-H550 PolarHBondContact O-N 3.36Å
547A69.9Low70.1Confident9 Ų979 Ų797%0.07445%0.447CS..Hα-helixtrans-59.1-39.517300000111.9V542 C543 N551V542-A547 HydrophobicContact CB-CB 4.47Å; V542-A547 HydrophobicContact CG1-CB 3.85Å; C543-A547 PolarHBondContact O-N 2.87Å; A547-N551 VanDerWaalsContact O-CB 3.32Å; A547-N551 WeakPolarHBondContact O-CB 3.45Å; A547-N551 PolarHBondContact O-N 3.04Å; A547-N551 PolarHBondContact O-ND2 3.41Å
548A73.4Confident69.6Low60 Ų6079 Ų7950%0.49644%0.442SS..Hα-helixtrans-66.3-42.9174.400000112.9E544 R545 E546 A552E544-A548 WeakPolarHBondContact O-CB 3.48Å; E544-A548 PolarHBondContact O-N 3.39Å; E544-A548 VanDerWaalsContact O-N 3.07Å; R545-A548 PolarHBondContact O-N 3.06Å; E546-A548 VanDerWaalsContact C-N 3.3Å; E546-A548 PolarHBondContact O-N 2.99Å; A548-A552 WeakPolarHBondContact O-CB 3.43Å; A548-A552 PolarHBondContact O-N 3.01Å
549V70Confident69.6Low82 Ų8279.1 Ų79.150%0.49745%0.445SS..Hα-helixtrans-68-42.5176.3171.60000111.4R545 E546 A552 V553R545-V549 WeakPolarHBondContact O-CG2 3.34Å; R545-V549 PolarHBondContact O-N 2.77Å; E546-V549 PolarHBondContact O-N 2.67Å; V549-A552 PolarHBondContact O-N 3.21Å; V549-A552 VanDerWaalsContact O-N 3.15Å; V549-V553 WeakPolarHBondContact O-CG2 3.47Å; V549-V553 PolarHBondContact O-N 2.89Å
550H67.9Low68.4Low114 Ų11480.5 Ų80.553%0.52845%0.454SS..Hα-helixtrans-61.4-48.2177.1-172.3-109.9000110.9E546 A552 V553 C554E546-H550 VanDerWaalsContact O-CB 3.25Å; E546-H550 WeakPolarHBondContact O-CB 3.13Å; E546-H550 PolarHBondContact O-N 3.36Å; H550-A552 VanDerWaalsContact C-N 3.31Å; H550-A552 PolarHBondContact O-N 3.28Å; H550-V553 PolarHBondContact O-N 2.79Å; H550-C554 WeakPolarHBondContact O-CB 3.44Å; H550-C554 PolarHBondContact O-N 2.94Å; H550-C554 PolarHBondContact O-SG 2.7Å
551N74.7Confident67.5Low85 Ų8582.8 Ų82.846%0.45548%0.475SS..Hα-helixtrans-60.9-37172.5-83.4-76000112.6A547 N555A547-N551 VanDerWaalsContact O-CB 3.32Å; A547-N551 WeakPolarHBondContact O-CB 3.45Å; A547-N551 PolarHBondContact O-N 3.04Å; A547-N551 PolarHBondContact O-ND2 3.41Å; N551-N555 WeakPolarHBondContact O-CB 3.39Å; N551-N555 VanDerWaalsContact O-CG 3.26Å; N551-N555 PolarHBondContact O-N 2.97Å; N551-N555 PolarHBondContact O-ND2 3.26Å
552A75Confident66.1Low25 Ų2578.7 Ų78.721%0.20748%0.477CS..Hα-helixtrans-67.1-35.8176.500000112.6A548 V549 H550 G556 A557 L558A548-A552 WeakPolarHBondContact O-CB 3.43Å; A548-A552 PolarHBondContact O-N 3.01Å; V549-A552 PolarHBondContact O-N 3.21Å; V549-A552 VanDerWaalsContact O-N 3.15Å; H550-A552 VanDerWaalsContact C-N 3.31Å; H550-A552 PolarHBondContact O-N 3.28Å; A552-G556 PolarHBondContact O-N 3.18Å; A552-A557 HydrophobicContact CB-CB 4.48Å; A552-A557 WeakPolarHBondContact O-CA 3.45Å; A552-A557 PolarHBondContact O-N 3.03Å; A552-L558 HydrophobicContact CB-CB 4.33Å; A552-L558 HydrophobicContact CB-CD1 3.8Å; A552-L558 HydrophobicContact CB-CG 3.97Å; A552-L558 PolarHBondContact O-N 3.03Å
553V72.3Confident64.8Low44 Ų4483.2 Ų83.227%0.26751%0.507SS..Hα-helixtrans-72.8-46.9174174.40000111.2V549 H550 N555 G556 L558 P560V549-V553 WeakPolarHBondContact O-CG2 3.47Å; V549-V553 PolarHBondContact O-N 2.89Å; H550-V553 PolarHBondContact O-N 2.79Å; V553-N555 VanDerWaalsContact C-N 3.3Å; V553-N555 PolarHBondContact O-N 3.03Å; V553-G556 PolarHBondContact O-N 3.01Å; V553-L558 HydrophobicContact CG2-CB 4.05Å; V553-P560 HydrophobicContact CG1-CB 4.33Å
554C73.1Confident63.2Low84 Ų8493 Ų9357%0.56855%0.548SS*.Hα-helixtrans-62.2-34.4178.2-67.90000113.2H550 G556H550-C554 WeakPolarHBondContact O-CB 3.44Å; H550-C554 PolarHBondContact O-N 2.94Å; H550-C554 PolarHBondContact O-SG 2.7Å; C554-G556 VanDerWaalsContact C-N 3.29Å
555N77.4Confident61.5Low125 Ų12594.9 Ų94.967%0.66856%0.557SS**THydrogen-bonded Turntrans-85.95.9175.1-65.4-49.7000113.4N551 V553 A557N551-N555 WeakPolarHBondContact O-CB 3.39Å; N551-N555 VanDerWaalsContact O-CG 3.26Å; N551-N555 PolarHBondContact O-N 2.97Å; N551-N555 PolarHBondContact O-ND2 3.26Å; V553-N555 VanDerWaalsContact C-N 3.3Å; V553-N555 PolarHBondContact O-N 3.03Å; N555-A557 PolarHBondContact O-N 3.4Å
556G65.1Low60Low64 Ų6491.5 Ų91.566%0.6656%0.555SS**THydrogen-bonded Turntrans68.612.1178.400000115.6A552 V553 C554A552-G556 PolarHBondContact O-N 3.18Å; V553-G556 PolarHBondContact O-N 3.01Å; C554-G556 VanDerWaalsContact C-N 3.29Å
557A75Confident58.7Low79 Ų7993.6 Ų93.665%0.65357%0.569SS**SBendtrans-80.4-19.2178.100000113.1A552 N555A552-A557 HydrophobicContact CB-CB 4.48Å; A552-A557 WeakPolarHBondContact O-CA 3.45Å; A552-A557 PolarHBondContact O-N 3.03Å; N555-A557 PolarHBondContact O-N 3.4Å
558L58.5Low57.2Low82 Ų8295.2 Ų95.243%0.42958%0.578SS.*SBendtrans-126.2140.5165.6-73.2176.1000109.5A552 V553A552-L558 HydrophobicContact CB-CB 4.33Å; A552-L558 HydrophobicContact CB-CD1 3.8Å; A552-L558 HydrophobicContact CB-CG 3.97Å; A552-L558 PolarHBondContact O-N 3.03Å; V553-L558 HydrophobicContact CG2-CB 4.05Å
559P59.4Low55.3Low105 Ų105101.4 Ų101.468%0.68260%0.596SS**  trans-63.5150.7165.930-34.3000109.7
560P51Low53.5Low94 Ų94100.3 Ų100.361%0.6160%0.602SS**  trans-58.6144.9170.627.2-34.6000109.7V553 A562V553-P560 HydrophobicContact CG1-CB 4.33Å; P560-A562 PolarHBondContact O-N 3.23Å
561P48Very low52Low120 Ų12098 Ų9878%0.77960%0.603SS**  trans-61.5112.5177.925.7-33.4000109.2
562A40.1Very low50Low80 Ų8099.5 Ų99.566%0.66161%0.614SS**  trans-60.9137.8177.500000109.5P560 F564P560-A562 PolarHBondContact O-N 3.23Å; A562-F564 PolarHBondContact O-N 2.93Å
563P38.9Very low48Very low115 Ų115103.8 Ų103.875%0.74764%0.64SS**  trans-58.6127.9167.926.3-32.9000107.9H565P563-H565 PolarHBondContact O-N 3.17Å
564F33.5Very low46.1Very low211 Ų211110.3 Ų110.393%0.92567%0.672SS**  trans-58.4110178.4-94.4-96.8000109.2A562 P566A562-F564 PolarHBondContact O-N 2.93Å; F564-P566 VanDerWaalsContact O-CD 3.23Å; F564-P566 WeakPolarHBondContact O-CD 3.48Å
565H34Very low44Very low141 Ų141109.9 Ų109.965%0.65368%0.682SS**  trans-69.9115.7170.7-119.4-83.7000108P563 L567P563-H565 PolarHBondContact O-N 3.17Å; H565-L567 PolarHBondContact O-N 3.38Å
566P35.6Very low41.8Very low79 Ų79109 Ų10951%0.51369%0.686SS.*  trans-65.4132.6166.228.9-32.5000107.9F564 T568F564-P566 VanDerWaalsContact O-CD 3.23Å; F564-P566 WeakPolarHBondContact O-CD 3.48Å; P566-T568 PolarHBondContact O-N 3.27Å
567L39.4Very low40.2Very low167 Ų167113 Ų11387%0.87470%0.698SS**SBendtrans-78.854.2177.2-68175.2000111.3H565H565-L567 PolarHBondContact O-N 3.38Å
568T39.8Very low37.9Very low44 Ų44113.1 Ų113.127%0.2771%0.707SS.*SBendtrans-173.3126.4163.715.10000108.9P566 G570P566-T568 PolarHBondContact O-N 3.27Å; T568-G570 PolarHBondContact O-N 3.31Å
569H32Very low36.5Very low189 Ų189112.4 Ų112.488%0.87572%0.719SS**THydrogen-bonded Turntrans-77.569.5167-84.2-83.3000110
570G33.6Very low35.1Very low59 Ų59114.1 Ų114.161%0.60873%0.731SS**THydrogen-bonded Turntrans-160.2-27.3-178.700000115.2T568 V572T568-G570 PolarHBondContact O-N 3.31Å; G570-V572 PolarHBondContact O-N 3.43Å
571A35.8Very low34.2Very low67 Ų67114.1 Ų114.155%0.55474%0.738SS**  trans-73.282.3178.900000112.4
572V31.9Very low33.4Very low115 Ų115116 Ų11670%0.69775%0.748SS**  trans-69126.6169.9176.20000109.3G570 L574G570-V572 PolarHBondContact O-N 3.43Å; V572-L574 PolarHBondContact O-N 3.16Å
573P33.7Very low33Very low115 Ų115115.3 Ų115.375%0.74775%0.748SS**  trans-71.694.7176.428.6-33.9000110.7G575P573-G575 PolarHBondContact O-N 3.01Å
574L32Very low32.7Very low181 Ų181116.5 Ų116.595%0.94875%0.754SS**THydrogen-bonded Turntrans-67.274.9170.6-94.4158.6000110.6V572V572-L574 PolarHBondContact O-N 3.16Å
575G29.5Very low32.4Very low75 Ų75112.3 Ų112.377%0.77375%0.75SS**THydrogen-bonded Turntrans-157.61.2-170.500000117.5P573P573-G575 PolarHBondContact O-N 3.01Å
576S30.1Very low32.2Very low107 Ų107110.8 Ų110.875%0.74876%0.756SS**  trans-142113.8171.164.50000112.5G578S576-G578 PolarHBondContact O-N 2.71Å
577T31.9Very low32.1Very low147 Ų147113.6 Ų113.690%0.90277%0.771SS**  trans-66.8121.916940.70000109.5
578G26.7Very low31.7Very low83 Ų83113.5 Ų113.586%0.85677%0.768SS**  trans-73.1138.3-170.500000114.1S576S576-G578 PolarHBondContact O-N 2.71Å
579G28.7Very low31.4Very low66 Ų66115.7 Ų115.768%0.6879%0.785SS**  trans-131.4122.3158.600000108.4A581G579-A581 PolarHBondContact O-N 3.39Å
580P30.4Very low32Very low142 Ų142111 Ų11192%0.92277%0.771SS**  trans-78.4117-175.930.1-32.6000110.6
581A31.7Very low32.2Very low93 Ų93118.2 Ų118.277%0.76978%0.782SS**  trans-133.4106.7172.100000110.3G579 G583G579-A581 PolarHBondContact O-N 3.39Å; A581-G583 PolarHBondContact O-N 3.15Å
582T31.3Very low32.6Very low161 Ų161120.5 Ų120.599%0.98879%0.785SS**  trans-68.582162.244.20000109.1
583G32.3Very low33.3Very low64 Ų64121.6 Ų121.666%0.6679%0.791SS**  trans-115.8130.9174.700000110.6A581A581-G583 PolarHBondContact O-N 3.15Å
584T33.2Very low33.6Very low141 Ų141124.4 Ų124.487%0.86579%0.792SS**  trans-63.5140.8175.946.30000111.4S586T584-S586 PolarHBondContact O-N 2.86Å; T584-S586 VanDerWaalsContact O-N 3.11Å
585S25.9Very low34.4Very low122 Ų122119.9 Ų119.985%0.85378%0.781SS**  trans-35.6109.5-176.9-171.20000114.4
586S31.9Very low35.6Very low110 Ų110122.4 Ų122.477%0.76978%0.784SS**  trans-91.5126.5167.150.30000109.5T584T584-S586 PolarHBondContact O-N 2.86Å; T584-S586 VanDerWaalsContact O-N 3.11Å
587V32.8Very low36.6Very low138 Ų138126.6 Ų126.684%0.83679%0.792SS**  trans-58.6138.3-178.2178.20000110.5S589V587-S589 PolarHBondContact O-N 2.87Å
588M30.8Very low37.7Very low165 Ų165122.1 Ų122.181%0.81377%0.774SS**  trans-53.6113.1176-70.8172.859.700110.7P590M588-P590 VanDerWaalsContact O-CD 3.31Å; M588-P590 WeakPolarHBondContact O-CD 3.47Å
589S33.9Very low39.4Very low90 Ų90123.9 Ų123.963%0.62977%0.773SS**  trans-83.4113.1178.6-172.50000110.3V587V587-S589 PolarHBondContact O-N 2.87Å
590P43.3Very low41.2Very low90 Ų90125.2 Ų125.258%0.58477%0.765SS**  trans-76.4130.3-177.130.8-33.9000111.2M588 N592M588-P590 VanDerWaalsContact O-CD 3.31Å; M588-P590 WeakPolarHBondContact O-CD 3.47Å; P590-N592 PolarHBondContact O-N 2.73Å
591Y39.1Very low43Very low210 Ų210124 Ų12482%0.82476%0.757SS**SBendtrans-76.256.6-171.8-8.6-89.7000113.4
592N43.6Very low45.1Very low116 Ų116127.4 Ų127.462%0.6276%0.755SS**  trans-147.240.2-179.8-87.1-54.6000113.5P590 F594P590-N592 PolarHBondContact O-N 2.73Å; N592-F594 PolarHBondContact O-N 3.46Å
593V46.2Very low47.3Very low137 Ų137123.6 Ų123.683%0.8373%0.726SS**  trans-82.598.9176.8-175.70000110.8
594F40.5Very low49.2Very low174 Ų174127.8 Ų127.876%0.76372%0.723SS**PPolyproline II helixtrans-80.5140.3166.6-73.4-82.8000110.9N592N592-F594 PolarHBondContact O-N 3.46Å
595A49.4Very low51.3Low87 Ų87130.2 Ų130.272%0.71972%0.716SS**PPolyproline II helixtrans-63145.1176.600000112
596P54.4Low54Low127 Ų127130.8 Ų130.883%0.82571%0.705SS**PPolyproline II helixtrans-61.7140.6178.426.1-34.6000111.3G598P596-G598 PolarHBondContact O-N 3.24Å
597Q51.7Low56.4Low196 Ų196130.4 Ų130.492%0.91669%0.691SS**PPolyproline II helixtrans-74116178.9-65-169.47.500110.4
598G55Low58.6Low52 Ų52127.9 Ų127.954%0.53667%0.67SS.*PPolyproline II helixtrans-60.7154.517300000112.5P596 N600P596-G598 PolarHBondContact O-N 3.24Å; G598-N600 PolarHBondContact O-N 2.99Å
599S62.1Low61.2Low120 Ų120127.7 Ų127.784%0.83967%0.665SS**SBendtrans-67.7-2.1-169.1530000115.9
600N65.2Low63.6Low95 Ų95130.9 Ų130.951%0.50867%0.668SS.*  trans-112.9106.7-179.6-100.8-61.6000112.6G598 K602 E603G598-N600 PolarHBondContact O-N 2.99Å; N600-K602 PolarHBondContact O-N 2.91Å; N600-E603 HydrophobicContact CB-CB 3.96Å; N600-E603 VanDerWaalsContact O-CB 3.23Å; N600-E603 WeakPolarHBondContact O-CB 3.39Å; N600-E603 PolarHBondContact O-N 2.91Å
601P69Low65.2Low117 Ų117130.2 Ų130.276%0.7666%0.661SS**THydrogen-bonded Turntrans-67-10.2178.926.9-34.9000114.2
602K75Confident67.1Low163 Ų163126.9 Ų126.971%0.70965%0.651SS**THydrogen-bonded Turntrans-79-29.4169.4-70.1179.5-179.1172.30112.7N600 Y604 R605 E606N600-K602 PolarHBondContact O-N 2.91Å; K602-Y604 PolarHBondContact O-N 3.04Å; K602-R605 WeakPolarHBondContact O-CB 3.43Å; K602-R605 PolarHBondContact O-N 3.22Å; K602-E606 PolarHBondContact O-N 3.16Å; K602-E606 VanDerWaalsContact O-N 3.15Å
603E77.3Confident68.9Low82 Ų82123.4 Ų123.438%0.38364%0.639SS.*Hα-helixtrans-62.9-41.7-172.3-166.8-177.9166.800111.4N600 R605 E606 Q607N600-E603 HydrophobicContact CB-CB 3.96Å; N600-E603 VanDerWaalsContact O-CB 3.23Å; N600-E603 WeakPolarHBondContact O-CB 3.39Å; N600-E603 PolarHBondContact O-N 2.91Å; E603-R605 VanDerWaalsContact C-N 3.25Å; E603-R605 PolarHBondContact O-N 2.74Å; E603-E606 CarbonylContact O-C 3.6Å; E603-E606 PolarHBondContact O-N 3.37Å; E603-Q607 HydrophobicContact CG-CG 4.47Å; E603-Q607 WeakPolarHBondContact O-CG 3.5Å; E603-Q607 PolarHBondContact O-N 3.35Å; E603-Q607 PolarHBondContact OE1-NE2 2.77Å
604Y73.6Confident70.3Confident152 Ų152122 Ų12260%0.59662%0.622SS**Hα-helixtrans-55.9-37173.2-180-98.8000113.1K602 Q608K602-Y604 PolarHBondContact O-N 3.04Å; Y604-Q608 HydrophobicContact CE1-CG 3.97Å; Y604-Q608 VanDerWaalsContact CE1-NE2 3.33Å; Y604-Q608 WeakPolarHBondContact O-CB 3.24Å; Y604-Q608 PolarHBondContact O-N 2.7Å; Y604-Q608 PolarHBondContact OH-NE2 2.78Å
605R77.6Confident71.6Confident192 Ų192121.6 Ų121.673%0.72562%0.616SS**Hα-helixtrans-73.4-31.6176.3-72.5-169.7173.9-161.3-0.7112.5K602 E603 K609K602-R605 WeakPolarHBondContact O-CB 3.43Å; K602-R605 PolarHBondContact O-N 3.22Å; E603-R605 VanDerWaalsContact C-N 3.25Å; E603-R605 PolarHBondContact O-N 2.74Å; R605-K609 PolarHBondContact O-N 2.79Å
606E82.1Confident72.7Confident134 Ų134127.1 Ų127.163%0.62662%0.62SS**Hα-helixtrans-73.1-39.6172.1-66.9-155.4124.100112.2K602 E603 K609 K610K602-E606 PolarHBondContact O-N 3.16Å; K602-E606 VanDerWaalsContact O-N 3.15Å; E603-E606 CarbonylContact O-C 3.6Å; E603-E606 PolarHBondContact O-N 3.37Å; E606-K609 CarbonylContact O-C 3.51Å; E606-K609 WeakPolarHBondContact O-CB 3.33Å; E606-K609 PolarHBondContact O-N 3.4Å; E606-K610 PolarHBondContact O-N 3.2Å
607Q81Confident73.6Confident101 Ų101127.9 Ų127.947%0.47261%0.612SS.*Hα-helixtrans-63.3-44.2172.4-67.7-170.716.100111.1E603 K609 K610 V611E603-Q607 HydrophobicContact CG-CG 4.47Å; E603-Q607 WeakPolarHBondContact O-CG 3.5Å; E603-Q607 PolarHBondContact O-N 3.35Å; E603-Q607 PolarHBondContact OE1-NE2 2.77Å; Q607-K609 VanDerWaalsContact C-N 3.31Å; Q607-K609 PolarHBondContact O-N 3.41Å; Q607-K610 PolarHBondContact O-N 3.03Å; Q607-V611 WeakPolarHBondContact O-CG2 3.44Å; Q607-V611 PolarHBondContact O-N 3.11Å
608Q80.7Confident73.8Confident86 Ų86125.3 Ų125.340%0.40260%0.604SS.*Hα-helixtrans-57.8-40.3170.8-87.8-158.91.500112.7Y604 K612Y604-Q608 HydrophobicContact CE1-CG 3.97Å; Y604-Q608 VanDerWaalsContact CE1-NE2 3.33Å; Y604-Q608 WeakPolarHBondContact O-CB 3.24Å; Y604-Q608 PolarHBondContact O-N 2.7Å; Y604-Q608 PolarHBondContact OH-NE2 2.78Å; Q608-K612 WeakPolarHBondContact O-CB 3.28Å; Q608-K612 PolarHBondContact O-N 3.25Å
609K84.9Confident74.2Confident160 Ų160126.8 Ų126.870%0.69660%0.603SS**Hα-helixtrans-64.6-45.9173.9-87.4-175.3171.9-175.70111.9R605 E606 Q607 K612 A613R605-K609 PolarHBondContact O-N 2.79Å; E606-K609 CarbonylContact O-C 3.51Å; E606-K609 WeakPolarHBondContact O-CB 3.33Å; E606-K609 PolarHBondContact O-N 3.4Å; Q607-K609 VanDerWaalsContact C-N 3.31Å; Q607-K609 PolarHBondContact O-N 3.41Å; K609-K612 PolarHBondContact O-N 3.39Å; K609-A613 WeakPolarHBondContact O-CB 3.43Å; K609-A613 PolarHBondContact O-N 2.66Å
610K83.9Confident73.9Confident158 Ų158125 Ų12569%0.68758%0.584SS**Hα-helixtrans-60-44.1176.3-95.2177.3173.1172.40111.5E606 Q607 A613 K614E606-K610 PolarHBondContact O-N 3.2Å; Q607-K610 PolarHBondContact O-N 3.03Å; K610-A613 PolarHBondContact O-N 3.07Å; K610-K614 WeakPolarHBondContact O-CB 3.28Å; K610-K614 WeakPolarHBondContact O-CG 3.32Å; K610-K614 PolarHBondContact O-N 3.28Å
611V76.9Confident73.2Confident75 Ų75125.4 Ų125.446%0.45559%0.59SS.*Hα-helixtrans-63.5-47.7176171.60000110.9Q607 A613 K614 Y615Q607-V611 WeakPolarHBondContact O-CG2 3.44Å; Q607-V611 PolarHBondContact O-N 3.11Å; V611-A613 VanDerWaalsContact C-N 3.32Å; V611-A613 PolarHBondContact O-N 3.14Å; V611-K614 PolarHBondContact O-N 3.35Å; V611-Y615 HydrophobicContact CG1-CD2 3.89Å; V611-Y615 HydrophobicContact CG1-CE2 3.97Å; V611-Y615 WeakPolarHBondContact O-CD2 3.31Å; V611-Y615 PolarHBondContact O-N 2.85Å
612K80Confident72.3Confident141 Ų141124.6 Ų124.661%0.61359%0.594SS**Hα-helixtrans-62.2-36.3175.7-79.4-178.2172.81760113.1Q608 K609 Y616Q608-K612 WeakPolarHBondContact O-CB 3.28Å; Q608-K612 PolarHBondContact O-N 3.25Å; K609-K612 PolarHBondContact O-N 3.39Å; K612-Y616 WeakPolarHBondContact O-CB 3.37Å; K612-Y616 PolarHBondContact O-N 3.28Å
613A80.1Confident71.3Confident43 Ų43119 Ų11936%0.35558%0.581SS.*Hα-helixtrans-67.8-43174.200000111.8K609 K610 V611 Y615 Y616 H617K609-A613 WeakPolarHBondContact O-CB 3.43Å; K609-A613 PolarHBondContact O-N 2.66Å; K610-A613 PolarHBondContact O-N 3.07Å; V611-A613 VanDerWaalsContact C-N 3.32Å; V611-A613 PolarHBondContact O-N 3.14Å; A613-Y615 VanDerWaalsContact C-N 3.32Å; A613-Y615 PolarHBondContact O-N 2.85Å; A613-Y616 PolarHBondContact O-N 3.48Å; A613-H617 PolarHBondContact O-CD2 3.07Å; A613-H617 PolarHBondContact O-N 2.72Å; A613-H617 VanDerWaalsContact O-N 3.11Å
614K75.1Confident69.8Low108 Ų108121.3 Ų121.347%0.4760%0.604SS.*Hα-helixtrans-59.3-41.3174.9-78.9-170.5163.9-156.60112.5K610 V611 H617 D618 T619 N620K610-K614 WeakPolarHBondContact O-CB 3.28Å; K610-K614 WeakPolarHBondContact O-CG 3.32Å; K610-K614 PolarHBondContact O-N 3.28Å; V611-K614 PolarHBondContact O-N 3.35Å; K614-H617 PolarHBondContact O-N 2.85Å; K614-D618 PolarHBondContact O-N 3.37Å; K614-T619 WeakPolarHBondContact CA-OG1 3.08Å; K614-T619 WeakPolarHBondContact CB-OG1 3.32Å; K614-T619 PolarHBondContact O-N 2.96Å; K614-T619 PolarHBondContact O-OG1 3.09Å; K614-N620 WeakPolarHBondContact CD-OD1 3.48Å
615Y69.3Low68.5Low164 Ų164122.2 Ų122.264%0.64361%0.613SS**Hα-helixtrans-66.6-32.4172.1-90.8-73.5000113.4V611 A613 H617V611-Y615 HydrophobicContact CG1-CD2 3.89Å; V611-Y615 HydrophobicContact CG1-CE2 3.97Å; V611-Y615 WeakPolarHBondContact O-CD2 3.31Å; V611-Y615 PolarHBondContact O-N 2.85Å; A613-Y615 VanDerWaalsContact C-N 3.32Å; A613-Y615 PolarHBondContact O-N 2.85Å; Y615-H617 VanDerWaalsContact C-N 3.3Å; Y615-H617 PolarHBondContact O-N 2.93Å
616Y71.4Confident67.1Low204 Ų204117.3 Ų117.380%0.861%0.609SS**Hα-helixtrans-75.9-15.7176.9-112.7-75.6000114.2K612 A613K612-Y616 WeakPolarHBondContact O-CB 3.37Å; K612-Y616 PolarHBondContact O-N 3.28Å; A613-Y616 PolarHBondContact O-N 3.48Å
617H73.2Confident65.8Low143 Ų143119.1 Ų119.166%0.66261%0.61SS**THydrogen-bonded Turntrans-115.39.3-179.1-67.7-62.3000113.2A613 K614 Y615 T619A613-H617 PolarHBondContact O-CD2 3.07Å; A613-H617 PolarHBondContact O-N 2.72Å; A613-H617 VanDerWaalsContact O-N 3.11Å; K614-H617 PolarHBondContact O-N 2.85Å; Y615-H617 VanDerWaalsContact C-N 3.3Å; Y615-H617 PolarHBondContact O-N 2.93Å; H617-T619 HydrophobicContact CB-CG2 3.98Å; H617-T619 PolarHBondContact O-N 3.48Å
618D56.9Low64.4Low141 Ų141120.1 Ų120.175%0.75462%0.618SS**THydrogen-bonded Turntrans50.617.1-176.7-94.4-25.9000116.5K614 N620K614-D618 PolarHBondContact O-N 3.37Å; D618-N620 PolarHBondContact O-N 2.82Å
619T62.7Low63Low83 Ų83123.9 Ų123.951%0.50964%0.64SS.*  trans-68.2-1.6-179.354.90000115.2K614 H617 T621K614-T619 WeakPolarHBondContact CA-OG1 3.08Å; K614-T619 WeakPolarHBondContact CB-OG1 3.32Å; K614-T619 PolarHBondContact O-N 2.96Å; K614-T619 PolarHBondContact O-OG1 3.09Å; H617-T619 HydrophobicContact CB-CG2 3.98Å; H617-T619 PolarHBondContact O-N 3.48Å; T619-T621 PolarHBondContact O-N 3.37Å
620N57.1Low61.7Low82 Ų82121.4 Ų121.444%0.43963%0.634SS.*  trans-95.965.9174.8-91.98.2000110.5K614 D618 A622K614-N620 WeakPolarHBondContact CD-OD1 3.48Å; D618-N620 PolarHBondContact O-N 2.82Å; N620-A622 PolarHBondContact O-N 2.73Å
621T49.6Very low60.3Low105 Ų105117.5 Ų117.564%0.64464%0.639SS**  trans-62.8131.3164.9-42.70000109.1T619 G623T619-T621 PolarHBondContact O-N 3.37Å; T621-G623 PolarHBondContact O-N 3.48Å
622A50.5Low59.6Low100 Ų100118.3 Ų118.383%0.82664%0.64SS**  trans-78.463.9-17500000112.3N620N620-A622 PolarHBondContact O-N 2.73Å
623G52.8Low59Low44 Ų44115.2 Ų115.245%0.45463%0.633SS.*SBendtrans67.7-169.8-171.600000113T621 Q625T621-G623 PolarHBondContact O-N 3.48Å; G623-Q625 PolarHBondContact O-N 2.89Å
624P46.1Very low58.2Low132 Ų132122.2 Ų122.286%0.85765%0.65SS**SBendtrans-65119.7168.1-14.929.9000109.4S626P624-S626 PolarHBondContact O-N 3.43Å
625Q46.5Very low58Low170 Ų170121.7 Ų121.779%0.79465%0.653SS**  trans-66.6118.3170.6-74.4-172.8-6300109.3G623 R627G623-Q625 PolarHBondContact O-N 2.89Å; Q625-R627 PolarHBondContact O-N 3.11Å
626S49.5Very low57.9Low90 Ų90117.8 Ų117.863%0.62964%0.64SS**  trans-7094.4-178.856.30000111.3P624 L628P624-S626 PolarHBondContact O-N 3.43Å; S626-L628 PolarHBondContact O-N 3Å
627R53.4Low57.5Low172 Ų172110 Ų11065%0.64962%0.618SS**G310 helixtrans-651173-74.3-166.6170.6173.5-0.8114.7Q625 L629 D630Q625-R627 PolarHBondContact O-N 3.11Å; R627-L629 PolarHBondContact O-N 3.46Å; R627-D630 HydrophobicContact CB-CB 4.33Å; R627-D630 HydrophobicContact CG-CB 4.43Å; R627-D630 PolarHBondContact O-N 3.21Å
628L52.2Low57.3Low121 Ų121109.3 Ų109.363%0.63461%0.609SS**G310 helixtrans-52-20.1175.2-74.7166000114.8S626S626-L628 PolarHBondContact O-N 3Å
629L51.9Low58.1Low166 Ų166110.9 Ų110.987%0.86961%0.605SS**G310 helixtrans-118.30.3176.4-70.6167.9000113.9R627 G631R627-L629 PolarHBondContact O-N 3.46Å; L629-G631 PolarHBondContact O-N 2.97Å
630D57.1Low58.3Low107 Ų107109 Ų10957%0.57259%0.593SS**SBendtrans-81.2106.7167.4-77.4-25.4000107.8R627 L632R627-D630 HydrophobicContact CB-CB 4.33Å; R627-D630 HydrophobicContact CG-CB 4.43Å; R627-D630 PolarHBondContact O-N 3.21Å; D630-L632 PolarHBondContact O-N 3.03Å
631G54.4Low58.7Low76 Ų76110.7 Ų110.778%0.78459%0.593SS**PPolyproline II helixtrans-60.8124.5-178.100000112.4L629L629-G631 PolarHBondContact O-N 2.97Å
632L62.1Low59.7Low92 Ų92108.6 Ų108.648%0.48258%0.578SS.*PPolyproline II helixtrans-54139.8179.3-82.975000111.5D630 E636 L689D630-L632 PolarHBondContact O-N 3.03Å; L632-E636 HydrophobicContact CB-CB 4.44Å; L632-E636 HydrophobicContact CD2-CB 4.32Å; L632-E636 HydrophobicContact CG-CB 4.43Å; L632-L689 HydrophobicContact CD2-CD2 4.18Å
633T67.1Low60.6Low76 Ų76110 Ų11047%0.46657%0.568SS.*PPolyproline II helixtrans-67153.7166.263.10000110.6D635 E636 A637T633-D635 PolarHBondContact O-N 3.27Å; T633-D635 VanDerWaalsContact O-N 3.08Å; T633-E636 WeakPolarHBondContact CB-OE2 3.34Å; T633-E636 WeakPolarHBondContact CG2-OE2 3.22Å; T633-E636 PolarHBondContact N-OE2 3.43Å; T633-E636 PolarHBondContact O-N 3.48Å; T633-E636 VanDerWaalsContact O-N 3.16Å; T633-E636 VanDerWaalsContact OG1-CD 3.27Å; T633-E636 VanDerWaalsContact OG1-CG 3.29Å; T633-E636 WeakPolarHBondContact OG1-CG 3.23Å; T633-E636 PolarHBondContact OG1-N 2.88Å; T633-E636 PolarHBondContact OG1-OE2 2.97Å; T633-A637 WeakPolarHBondContact O-CB 3.19Å; T633-A637 PolarHBondContact O-N 3.25Å
634W62.6Low61.3Low191 Ų191109 Ų10972%0.72356%0.558SS**Hα-helixtrans-59.3-22.7179.3-75.8102.5000113.8R638W634-R638 PolarHBondContact O-N 3.42Å
635D70.5Confident62.2Low96 Ų96104 Ų10451%0.51352%0.523SS..Hα-helixtrans-89-30.1179-62.6-38.4000113T633 R638 R639T633-D635 PolarHBondContact O-N 3.27Å; T633-D635 VanDerWaalsContact O-N 3.08Å; D635-R638 PolarHBondContact O-N 3.12Å; D635-R638 IonicContact OD1-CZ 3.59Å; D635-R638 IonicContact OD1-NE 3.7Å; D635-R638 PolarHBondContact OD1-NE 3.38Å; D635-R638 IonicContact OD1-NH2 3.03Å; D635-R638 PolarHBondContact OD1-NH2 2.76Å; D635-R639 WeakPolarHBondContact O-CG 3.35Å; D635-R639 PolarHBondContact O-N 2.96Å
636E67.6Low63.3Low83 Ų8399.2 Ų99.239%0.38851%0.505SS..Hα-helixtrans-65.4-43.9163-71.7163.4133.400110.5L632 T633 R638 R639 V640L632-E636 HydrophobicContact CB-CB 4.44Å; L632-E636 HydrophobicContact CD2-CB 4.32Å; L632-E636 HydrophobicContact CG-CB 4.43Å; T633-E636 WeakPolarHBondContact CB-OE2 3.34Å; T633-E636 WeakPolarHBondContact CG2-OE2 3.22Å; T633-E636 PolarHBondContact N-OE2 3.43Å; T633-E636 PolarHBondContact O-N 3.48Å; T633-E636 VanDerWaalsContact O-N 3.16Å; T633-E636 VanDerWaalsContact OG1-CD 3.27Å; T633-E636 VanDerWaalsContact OG1-CG 3.29Å; T633-E636 WeakPolarHBondContact OG1-CG 3.23Å; T633-E636 PolarHBondContact OG1-N 2.88Å; T633-E636 PolarHBondContact OG1-OE2 2.97Å; E636-R638 VanDerWaalsContact C-N 3.28Å; E636-R638 PolarHBondContact O-N 3.44Å; E636-R639 PolarHBondContact O-N 2.87Å; E636-V640 WeakPolarHBondContact O-CB 3.09Å; E636-V640 WeakPolarHBondContact O-CG2 3.29Å; E636-V640 PolarHBondContact O-N 3.32Å
637A62.6Low64.2Low39 Ų39103.2 Ų103.232%0.32251%0.512SS..Hα-helixtrans-64.4-29.6175.800000113.2T633 R641T633-A637 WeakPolarHBondContact O-CB 3.19Å; T633-A637 PolarHBondContact O-N 3.25Å; A637-R641 WeakPolarHBondContact O-CB 3.49Å; A637-R641 PolarHBondContact O-N 3.08Å
638R70.6Confident64.5Low129 Ų12999.4 Ų99.449%0.48751%0.507SS..Hα-helixtrans-69.6-52.9167-92.4-174.1-79.1-138.6-0.1111.7W634 D635 E636 V640 R641 D642W634-R638 PolarHBondContact O-N 3.42Å; D635-R638 PolarHBondContact O-N 3.12Å; D635-R638 IonicContact OD1-CZ 3.59Å; D635-R638 IonicContact OD1-NE 3.7Å; D635-R638 PolarHBondContact OD1-NE 3.38Å; D635-R638 IonicContact OD1-NH2 3.03Å; D635-R638 PolarHBondContact OD1-NH2 2.76Å; E636-R638 VanDerWaalsContact C-N 3.28Å; E636-R638 PolarHBondContact O-N 3.44Å; R638-V640 VanDerWaalsContact C-N 3.34Å; R638-V640 PolarHBondContact O-N 3.02Å; R638-R641 WeakPolarHBondContact O-CB 3.18Å; R638-R641 PolarHBondContact O-N 3.49Å; R638-R641 VanDerWaalsContact O-N 3.09Å; R638-D642 WeakPolarHBondContact O-CB 3.17Å; R638-D642 PolarHBondContact O-N 2.76Å
639R72.2Confident65.1Low174 Ų17497.2 Ų97.266%0.65750%0.496SS*.Hα-helixtrans-53.4-48.5178.7-82.1-178.2168.6166.8-3.2112.9D635 E636 R641 D642 E643D635-R639 WeakPolarHBondContact O-CG 3.35Å; D635-R639 PolarHBondContact O-N 2.96Å; E636-R639 PolarHBondContact O-N 2.87Å; R639-R641 VanDerWaalsContact C-N 3.32Å; R639-R641 PolarHBondContact O-N 2.94Å; R639-D642 PolarHBondContact O-N 3.24Å; R639-E643 VanDerWaalsContact O-CB 3.3Å; R639-E643 WeakPolarHBondContact O-CB 3.37Å; R639-E643 VanDerWaalsContact O-CG 3.3Å; R639-E643 WeakPolarHBondContact O-CG 3.12Å; R639-E643 PolarHBondContact O-N 2.82Å
640V68Low66Low43 Ų4390.5 Ų90.526%0.26147%0.467SS..Hα-helixtrans-63.8-37.3179.8171.20000112.1E636 R638 G644 L689E636-V640 WeakPolarHBondContact O-CB 3.09Å; E636-V640 WeakPolarHBondContact O-CG2 3.29Å; E636-V640 PolarHBondContact O-N 3.32Å; R638-V640 VanDerWaalsContact C-N 3.34Å; R638-V640 PolarHBondContact O-N 3.02Å; V640-G644 PolarHBondContact O-N 3Å; V640-L689 HydrophobicContact CG1-CD1 3.69Å; V640-L689 HydrophobicContact CG1-CD2 4.13Å; V640-L689 HydrophobicContact CG1-CG 3.65Å
641R66.4Low66.7Low119 Ų11990.2 Ų90.245%0.44947%0.471SS..Hα-helixtrans-65.3-48.5172.5-176.9-136.9-56.8-165.70.4111.2A637 R638 R639 G644 L645A637-R641 WeakPolarHBondContact O-CB 3.49Å; A637-R641 PolarHBondContact O-N 3.08Å; R638-R641 WeakPolarHBondContact O-CB 3.18Å; R638-R641 PolarHBondContact O-N 3.49Å; R638-R641 VanDerWaalsContact O-N 3.09Å; R639-R641 VanDerWaalsContact C-N 3.32Å; R639-R641 PolarHBondContact O-N 2.94Å; R641-G644 PolarHBondContact O-N 3.13Å; R641-L645 HydrophobicContact CG-CD1 4.32Å; R641-L645 WeakPolarHBondContact O-CB 3.23Å; R641-L645 PolarHBondContact O-N 2.85Å
642D69.3Low67.5Low60 Ų6097 Ų9732%0.32147%0.473SS..Hα-helixtrans-69.8-38-174.8-62.3-21.4000111.2R638 R639 L645 V646R638-D642 WeakPolarHBondContact O-CB 3.17Å; R638-D642 PolarHBondContact O-N 2.76Å; R639-D642 PolarHBondContact O-N 3.24Å; D642-L645 WeakPolarHBondContact O-CB 3.16Å; D642-L645 PolarHBondContact O-N 3.15Å; D642-V646 WeakPolarHBondContact O-CB 3.26Å; D642-V646 VanDerWaalsContact O-CG2 3.27Å; D642-V646 WeakPolarHBondContact O-CG2 3.23Å; D642-V646 PolarHBondContact O-N 3.43Å
643E70.4Confident67.7Low130 Ų13094.1 Ų94.161%0.60746%0.463SS*.Hα-helixtrans-64-41.9170.6-74.5173.2-160.300111.9R639 V646 K647R639-E643 VanDerWaalsContact O-CB 3.3Å; R639-E643 WeakPolarHBondContact O-CB 3.37Å; R639-E643 VanDerWaalsContact O-CG 3.3Å; R639-E643 WeakPolarHBondContact O-CG 3.12Å; R639-E643 PolarHBondContact O-N 2.82Å; E643-V646 PolarHBondContact O-N 3.21Å; E643-K647 WeakPolarHBondContact O-CB 3.41Å; E643-K647 PolarHBondContact O-N 3.47Å
644G66.7Low67.7Low24 Ų2490.8 Ų90.825%0.24744%0.443CS..Hα-helixtrans-62.2-41.617200000112.6V640 R641 K647 V648V640-G644 PolarHBondContact O-N 3Å; R641-G644 PolarHBondContact O-N 3.13Å; G644-K647 PolarHBondContact O-N 2.94Å; G644-V648 WeakPolarHBondContact O-CG2 3.46Å; G644-V648 PolarHBondContact O-N 2.97Å; G644-V648 VanDerWaalsContact O-N 3.1Å
645L64.6Low67.9Low26 Ų2684.7 Ų84.714%0.13643%0.433CS..Hα-helixtrans-61.6-46.7174.5-111.4155.5000111.6R641 D642 K647 V648 L649 A654 V657R641-L645 HydrophobicContact CG-CD1 4.32Å; R641-L645 WeakPolarHBondContact O-CB 3.23Å; R641-L645 PolarHBondContact O-N 2.85Å; D642-L645 WeakPolarHBondContact O-CB 3.16Å; D642-L645 PolarHBondContact O-N 3.15Å; L645-K647 VanDerWaalsContact C-N 3.33Å; L645-K647 PolarHBondContact O-N 3.11Å; L645-V648 PolarHBondContact O-N 3.48Å; L645-L649 HydrophobicContact CD2-CD1 3.53Å; L645-L649 WeakPolarHBondContact O-CB 3.18Å; L645-L649 PolarHBondContact O-N 3.47Å; L645-A654 HydrophobicContact CB-CB 4.12Å; L645-A654 HydrophobicContact CD2-CB 4.29Å; L645-V657 HydrophobicContact CD1-CG1 4.07Å; L645-V657 HydrophobicContact CD2-CB 3.79Å; L645-V657 HydrophobicContact CD2-CG1 3.81Å; L645-V657 HydrophobicContact CD2-CG2 4.19Å
646V70.9Confident67.8Low69 Ų6983.5 Ų83.542%0.41843%0.426SS..Hα-helixtrans-63.6-37.3176170.50000111.5D642 E643 G650 P651 A654D642-V646 WeakPolarHBondContact O-CB 3.26Å; D642-V646 VanDerWaalsContact O-CG2 3.27Å; D642-V646 WeakPolarHBondContact O-CG2 3.23Å; D642-V646 PolarHBondContact O-N 3.43Å; E643-V646 PolarHBondContact O-N 3.21Å; V646-G650 WeakPolarHBondContact O-CA 3.33Å; V646-G650 PolarHBondContact O-N 3.5Å; V646-G650 VanDerWaalsContact O-N 3.09Å; V646-P651 HydrophobicContact CG1-CB 4.44Å; V646-A654 HydrophobicContact CB-CB 4.3Å; V646-A654 HydrophobicContact CG2-CB 3.63Å
647K68.4Low67.5Low175 Ų17581.2 Ų81.276%0.76142%0.418SS*.Hα-helixtrans-64.9-37.2175.5-107.7-176.6174.9-178.70113.6E643 G644 L645E643-K647 WeakPolarHBondContact O-CB 3.41Å; E643-K647 PolarHBondContact O-N 3.47Å; G644-K647 PolarHBondContact O-N 2.94Å; L645-K647 VanDerWaalsContact C-N 3.33Å; L645-K647 PolarHBondContact O-N 3.11Å
648V59.2Low67.6Low91 Ų9182.7 Ų82.755%0.55243%0.43SS*.Hα-helixtrans-92.9-44.3-173.7175.70000113G644 L645 V684G644-V648 WeakPolarHBondContact O-CG2 3.46Å; G644-V648 PolarHBondContact O-N 2.97Å; G644-V648 VanDerWaalsContact O-N 3.1Å; L645-V648 PolarHBondContact O-N 3.48Å; V648-V684 HydrophobicContact CG1-CG2 4Å; V648-V684 HydrophobicContact CG2-CG1 3.99Å; V648-V684 HydrophobicContact CG2-CG2 4.34Å
649L65.5Low67.2Low75 Ų7579.2 Ų79.239%0.39343%0.434SS..Hα-helixtrans-99.8-5.3-175-82.1158.4000113.1L645 A653 V657 P666L645-L649 HydrophobicContact CD2-CD1 3.53Å; L645-L649 WeakPolarHBondContact O-CB 3.18Å; L645-L649 PolarHBondContact O-N 3.47Å; L649-A653 HydrophobicContact CB-CB 4.05Å; L649-A653 HydrophobicContact CD2-CB 4.18Å; L649-A653 WeakPolarHBondContact O-CB 3.49Å; L649-V657 HydrophobicContact CD1-CG2 4.05Å; L649-P666 HydrophobicContact CD1-CG 4.44Å
650G69.9Low66.5Low26 Ų2674.1 Ų74.127%0.26844%0.436SS..Hα-helixtrans70.5161.5-171.200000112.3V646 R652 A653 A654V646-G650 WeakPolarHBondContact O-CA 3.33Å; V646-G650 PolarHBondContact O-N 3.5Å; V646-G650 VanDerWaalsContact O-N 3.09Å; G650-R652 PolarHBondContact O-N 3.39Å; G650-R652 VanDerWaalsContact O-N 3.1Å; G650-A653 PolarHBondContact O-N 3.01Å; G650-A654 WeakPolarHBondContact O-CB 3.35Å; G650-A654 PolarHBondContact O-N 3.42Å
651P71.3Confident66.1Low100 Ų10076.9 Ų76.965%0.64945%0.452SS*.Hα-helixtrans-59.9-31.4-169.821.4-33.1000114V646 A655V646-P651 HydrophobicContact CG1-CB 4.44Å; P651-A655 WeakPolarHBondContact O-CB 3.25Å; P651-A655 PolarHBondContact O-N 3.03Å; P651-A655 VanDerWaalsContact O-N 3.14Å
652R71.6Confident65.5Low218 Ų21874.3 Ų74.382%0.82345%0.45SS*.Hα-helixtrans-77.1-40-176.8-171.7172.6178.1165.8-1.3113.8G650 L656G650-R652 PolarHBondContact O-N 3.39Å; G650-R652 VanDerWaalsContact O-N 3.1Å; R652-L656 PolarHBondContact O-N 3.16Å
653A67Low64.7Low33 Ų3377.4 Ų77.427%0.27348%0.477SS..Hα-helixtrans-85.1-28.3176.400000111.9L649 G650 A655 L656 V657L649-A653 HydrophobicContact CB-CB 4.05Å; L649-A653 HydrophobicContact CD2-CB 4.18Å; L649-A653 WeakPolarHBondContact O-CB 3.49Å; G650-A653 PolarHBondContact O-N 3.01Å; A653-A655 VanDerWaalsContact C-N 3.29Å; A653-A655 PolarHBondContact O-N 3.31Å; A653-L656 PolarHBondContact O-N 3.04Å; A653-L656 VanDerWaalsContact O-N 3.12Å; A653-V657 PolarHBondContact O-N 2.87Å
654A65.8Low63.9Low6 Ų679.8 Ų79.85%0.0549%0.488CS..Hα-helixtrans-56.7-43.1166.100000112L645 V646 G650 L656 V657 A658L645-A654 HydrophobicContact CB-CB 4.12Å; L645-A654 HydrophobicContact CD2-CB 4.29Å; V646-A654 HydrophobicContact CB-CB 4.3Å; V646-A654 HydrophobicContact CG2-CB 3.63Å; G650-A654 WeakPolarHBondContact O-CB 3.35Å; G650-A654 PolarHBondContact O-N 3.42Å; A654-L656 VanDerWaalsContact C-N 3.34Å; A654-L656 PolarHBondContact O-N 3.38Å; A654-V657 PolarHBondContact O-N 2.73Å; A654-A658 VanDerWaalsContact O-CB 3.26Å; A654-A658 WeakPolarHBondContact O-CB 3.48Å; A654-A658 PolarHBondContact O-N 3.35Å
655A67.9Low63.2Low62 Ų6286.4 Ų86.451%0.51251%0.514SS..Hα-helixtrans-64.6-32.9174.200000113.6P651 A653 G659P651-A655 WeakPolarHBondContact O-CB 3.25Å; P651-A655 PolarHBondContact O-N 3.03Å; P651-A655 VanDerWaalsContact O-N 3.14Å; A653-A655 VanDerWaalsContact C-N 3.29Å; A653-A655 PolarHBondContact O-N 3.31Å; A655-G659 PolarHBondContact O-N 2.93Å
656L67.2Low62.8Low72 Ų7287.1 Ų87.138%0.37752%0.52SS..Hα-helixtrans-70.4-41.1175.1-77.2164.2000112.2R652 A653 A654 G659 G660 V661 T662R652-L656 PolarHBondContact O-N 3.16Å; A653-L656 PolarHBondContact O-N 3.04Å; A653-L656 VanDerWaalsContact O-N 3.12Å; A654-L656 VanDerWaalsContact C-N 3.34Å; A654-L656 PolarHBondContact O-N 3.38Å; L656-G659 CarbonylContact O-C 3.53Å; L656-G659 PolarHBondContact O-N 3.33Å; L656-G660 PolarHBondContact O-N 3.32Å; L656-V661 HydrophobicContact CD2-CB 3.76Å; L656-V661 HydrophobicContact CD2-CG1 3.8Å; L656-V661 HydrophobicContact CD2-CG2 4.03Å; L656-V661 PolarHBondContact O-N 2.96Å; L656-T662 HydrophobicContact CB-CG2 4.29Å
657V62.7Low62.1Low34 Ų3487.2 Ų87.221%0.20652%0.521CS..Hα-helixtrans-69.6-45.6175.8174.90000111L645 L649 A653 A654 G659 G660 T662L645-V657 HydrophobicContact CD1-CG1 4.07Å; L645-V657 HydrophobicContact CD2-CB 3.79Å; L645-V657 HydrophobicContact CD2-CG1 3.81Å; L645-V657 HydrophobicContact CD2-CG2 4.19Å; L649-V657 HydrophobicContact CD1-CG2 4.05Å; A653-V657 PolarHBondContact O-N 2.87Å; A654-V657 PolarHBondContact O-N 2.73Å; V657-G659 VanDerWaalsContact C-N 3.25Å; V657-G659 PolarHBondContact O-N 2.81Å; V657-G660 PolarHBondContact O-N 3.09Å; V657-T662 WeakPolarHBondContact CG2-OG1 3.31Å
658A63.3Low61.7Low70 Ų7081 Ų8158%0.57950%0.503SS*.Hα-helixtrans-63.8-31.3175.600000112.5A654 G660A654-A658 VanDerWaalsContact O-CB 3.26Å; A654-A658 WeakPolarHBondContact O-CB 3.48Å; A654-A658 PolarHBondContact O-N 3.35Å; A658-G660 VanDerWaalsContact C-N 3.3Å
659G63.2Low61.9Low56 Ų5677.6 Ų77.658%0.57748%0.484SS*.THydrogen-bonded Turntrans-80.1-0.5171.600000115.3A655 L656 V657 V661A655-G659 PolarHBondContact O-N 2.93Å; L656-G659 CarbonylContact O-C 3.53Å; L656-G659 PolarHBondContact O-N 3.33Å; V657-G659 VanDerWaalsContact C-N 3.25Å; V657-G659 PolarHBondContact O-N 2.81Å; G659-V661 VanDerWaalsContact C-N 3.33Å; G659-V661 PolarHBondContact O-N 2.78Å
660G57.9Low61.8Low67 Ų6776.2 Ų76.269%0.69148%0.483SS*.THydrogen-bonded Turntrans70.320.6177.700000115.5L656 V657 A658L656-G660 PolarHBondContact O-N 3.32Å; V657-G660 PolarHBondContact O-N 3.09Å; A658-G660 VanDerWaalsContact C-N 3.3Å
661V58.8Low61.4Low101 Ų10177.2 Ų77.261%0.61249%0.486SS*.  trans-86-17.4-170.6-169.20000112.9L656 G659L656-V661 HydrophobicContact CD2-CB 3.76Å; L656-V661 HydrophobicContact CD2-CG1 3.8Å; L656-V661 HydrophobicContact CD2-CG2 4.03Å; L656-V661 PolarHBondContact O-N 2.96Å; G659-V661 VanDerWaalsContact C-N 3.33Å; G659-V661 PolarHBondContact O-N 2.78Å
662T54.4Low61.4Low65 Ų6577 Ų7740%0.39948%0.475SS..  trans-126126.9-174.752.10000111.3L656 V657 E664L656-T662 HydrophobicContact CB-CG2 4.29Å; V657-T662 WeakPolarHBondContact CG2-OG1 3.31Å; T662-E664 PolarHBondContact O-N 2.9Å
663S51.6Low61.4Low126 Ų12670 Ų7088%0.88146%0.464SS*.SBendtrans-80.8-9-174.8-166.90000115.1M665S663-M665 PolarHBondContact O-N 3.29Å
664E53.9Low61.5Low179 Ų17974.9 Ų74.984%0.83648%0.484SS*.  trans-83.396.9176-67.7-173-170.600109.9T662 P666T662-E664 PolarHBondContact O-N 2.9Å; E664-P666 WeakPolarHBondContact O-CD 3.45Å
665M51.4Low61.6Low164 Ų16475.3 Ų75.381%0.80849%0.486SS*.  trans-99.7107.4-174.6-174.8171.8165.600110S663 V667S663-M665 PolarHBondContact O-N 3.29Å; M665-V667 PolarHBondContact O-N 2.94Å
666P56.8Low61.8Low41 Ų4178.7 Ų78.727%0.26649%0.491SS..  trans-65.1135-178.725.5-33.5000111.1L649 E664 A668 A682 V684L649-P666 HydrophobicContact CD1-CG 4.44Å; E664-P666 WeakPolarHBondContact O-CD 3.45Å; P666-A668 PolarHBondContact O-N 3.45Å; P666-A668 VanDerWaalsContact O-N 3.07Å; P666-A682 WeakPolarHBondContact CA-O 3.41Å; P666-V684 HydrophobicContact CB-CG2 4.01Å
667V56.3Low62.2Low70 Ų7085.6 Ų85.642%0.42451%0.512SS..EExtended strand (participates in β ladder)trans-77101-176.2-179.50000109.3M665 I679 A682 A683 V684M665-V667 PolarHBondContact O-N 2.94Å; V667-I679 HydrophobicContact CG2-CG2 4.21Å; V667-A682 PolarHBondContact N-O 2.98Å; V667-A682 VanDerWaalsContact N-O 3.15Å; V667-A683 HydrophobicContact CB-CB 4.44Å; V667-A683 CarbonylContact O-C 3.58Å; V667-A683 WeakPolarHBondContact O-CA 3.36Å; V667-A683 WeakPolarHBondContact O-CB 3.35Å; V667-V684 PolarHBondContact O-N 3.24Å
668A61Low62.9Low46 Ų4689.6 Ų89.638%0.3853%0.532SS..EExtended strand (participates in β ladder)trans-84.2121.5-178.900000111.4P666 V684 Y686P666-A668 PolarHBondContact O-N 3.45Å; P666-A668 VanDerWaalsContact O-N 3.07Å; A668-V684 CarbonylContact C-O 3.52Å; A668-V684 VanDerWaalsContact CA-O 3.31Å; A668-V684 WeakPolarHBondContact CA-O 3.35Å; A668-Y686 HydrophobicContact CB-CD2 4.17Å; A668-Y686 HydrophobicContact CB-CE2 3.39Å
669A62.6Low63.4Low19 Ų1989.3 Ų89.316%0.15752%0.52CS..EExtended strand (participates in β ladder)trans-137.4156.9-172.500000113.1I675 V684 I685 Y686A669-I675 HydrophobicContact CB-CD1 3.77Å; A669-I675 HydrophobicContact CB-CG1 4.12Å; A669-V684 PolarHBondContact N-O 2.98Å; A669-I685 WeakPolarHBondContact O-CA 3.45Å; A669-Y686 PolarHBondContact O-N 3.04Å
670A62.3Low63.8Low46 Ų4690.1 Ų90.138%0.3851%0.505SS..SBendtrans-73.4-24.7177.800000113.8Y690A670-Y690 HydrophobicContact CB-CD2 4.44Å; A670-Y690 HydrophobicContact CB-CE2 3.62Å
671S63.2Low64.4Low47 Ų4794.3 Ų94.333%0.32951%0.512SS..  trans-156.2141.3178.2167.20000111.9A673 I674S671-A673 PolarHBondContact O-N 2.85Å; S671-A673 PolarHBondContact OG-N 2.91Å; S671-I674 PolarHBondContact O-N 3.14Å
672K70.8Confident64.5Low94 Ų9492.4 Ų92.441%0.40951%0.507SS..THydrogen-bonded Turntrans-64.5-18176.9-148.2170.7-169.7163.60113.1R680 I685K672-R680 WeakPolarHBondContact CE-O 3.46Å; K672-R680 HydrophobicContact CG-CB 4.38Å; K672-R680 HydrophobicContact CG-CG 4.02Å; K672-R680 PolarHBondContact NZ-O 2.66Å; K672-R680 VanDerWaalsContact O-CZ 3.25Å; K672-R680 PolarHBondContact O-NE 2.9Å; K672-R680 VanDerWaalsContact O-NE 3.13Å; K672-R680 PolarHBondContact O-NH2 3.31Å; K672-I685 HydrophobicContact CB-CD1 3.87Å; K672-I685 HydrophobicContact CD-CD1 4.21Å; K672-I685 HydrophobicContact CG-CD1 4.34Å
673A71.7Confident64.7Low73 Ų7390.2 Ų90.260%0.60350%0.495SS*.THydrogen-bonded Turntrans-70.2-33.6179.200000113.1S671 I675 R680S671-A673 PolarHBondContact O-N 2.85Å; S671-A673 PolarHBondContact OG-N 2.91Å; A673-I675 PolarHBondContact O-N 3.48Å; A673-R680 PolarHBondContact O-NH2 3.27Å; A673-R680 VanDerWaalsContact O-NH2 3.1Å
674I68.8Low65.2Low134 Ų13485.8 Ų85.869%0.68746%0.463SS*.SBendtrans-74.1-18-175.9-37.6174.2000111.7S671S671-I674 PolarHBondContact O-N 3.14Å
675I67.2Low65.5Low16 Ų1680.9 Ų80.98%0.08244%0.442CS..SBendtrans-89.6138.8-173.2-41.3-177000110.1A669 A673 I679 R680 A683A669-I675 HydrophobicContact CB-CD1 3.77Å; A669-I675 HydrophobicContact CB-CG1 4.12Å; A673-I675 PolarHBondContact O-N 3.48Å; I675-I679 HydrophobicContact CG2-CB 3.99Å; I675-R680 HydrophobicContact CB-CG 3.97Å; I675-R680 HydrophobicContact CG2-CG 4.2Å; I675-R680 VanDerWaalsContact O-CZ 3.27Å; I675-R680 PolarHBondContact O-NE 2.86Å; I675-R680 PolarHBondContact O-NH2 3.21Å; I675-A683 HydrophobicContact CD1-CB 3.34Å
676Q72.5Confident65.8Low133 Ų13376 Ų7662%0.62142%0.415SS*.  trans-57.9144170.6-68.1-179.9-97.100111.2D678 I679 R680Q676-D678 VanDerWaalsContact C-N 3.25Å; Q676-D678 WeakPolarHBondContact CB-OD1 3.5Å; Q676-D678 PolarHBondContact O-N 2.88Å; Q676-I679 HydrophobicContact CB-CD1 4.28Å; Q676-I679 HydrophobicContact CB-CG1 4.34Å; Q676-I679 PolarHBondContact O-N 3.4Å; Q676-I679 VanDerWaalsContact O-N 3.1Å; Q676-R680 WeakPolarHBondContact O-CG 3.43Å; Q676-R680 PolarHBondContact O-N 2.87Å
677R76.1Confident65.8Low217 Ų21779.1 Ų79.182%0.81943%0.429SS*.THydrogen-bonded Turntrans-56.6-38-166-104.5-179.5168.3134.8-5.3113.6
678D77.8Confident65.9Low118 Ų11877.9 Ų77.963%0.63143%0.43SS*.THydrogen-bonded Turntrans-66.4-37.8179.245.5-63.1000113.5Q676Q676-D678 VanDerWaalsContact C-N 3.25Å; Q676-D678 WeakPolarHBondContact CB-OD1 3.5Å; Q676-D678 PolarHBondContact O-N 2.88Å
679I73.2Confident65.4Low63 Ų6377.7 Ų77.732%0.32342%0.423SS..G310 helixtrans-87.1-10.4-176.6-34.7173.8000112.5V667 I675 Q676 N681 A682V667-I679 HydrophobicContact CG2-CG2 4.21Å; I675-I679 HydrophobicContact CG2-CB 3.99Å; Q676-I679 HydrophobicContact CB-CD1 4.28Å; Q676-I679 HydrophobicContact CB-CG1 4.34Å; Q676-I679 PolarHBondContact O-N 3.4Å; Q676-I679 VanDerWaalsContact O-N 3.1Å; I679-N681 PolarHBondContact O-N 2.9Å; I679-A682 PolarHBondContact O-N 3.42Å
680R71.3Confident64.8Low73 Ų7383.9 Ų83.928%0.27544%0.443SS..G310 helixtrans-60.1-13.9-175.6-78.7175.9-167.3-160.8-5.6115.9K672 A673 I675 Q676K672-R680 WeakPolarHBondContact CE-O 3.46Å; K672-R680 HydrophobicContact CG-CB 4.38Å; K672-R680 HydrophobicContact CG-CG 4.02Å; K672-R680 PolarHBondContact NZ-O 2.66Å; K672-R680 VanDerWaalsContact O-CZ 3.25Å; K672-R680 PolarHBondContact O-NE 2.9Å; K672-R680 VanDerWaalsContact O-NE 3.13Å; K672-R680 PolarHBondContact O-NH2 3.31Å; A673-R680 PolarHBondContact O-NH2 3.27Å; A673-R680 VanDerWaalsContact O-NH2 3.1Å; I675-R680 HydrophobicContact CB-CG 3.97Å; I675-R680 HydrophobicContact CG2-CG 4.2Å; I675-R680 VanDerWaalsContact O-CZ 3.27Å; I675-R680 PolarHBondContact O-NE 2.86Å; I675-R680 PolarHBondContact O-NH2 3.21Å; Q676-R680 WeakPolarHBondContact O-CG 3.43Å; Q676-R680 PolarHBondContact O-N 2.87Å
681N70.2Confident64.4Low156 Ų15683.4 Ų83.483%0.83444%0.437SS*.G310 helixtrans-91.1-21.1178-66.5-7.4000112.8I679I679-N681 PolarHBondContact O-N 2.9Å
682A62.3Low64Low61 Ų6187.2 Ų87.250%0.50445%0.449SS..SBendtrans-100.212.9175.900000112.7P666 V667 I679P666-A682 WeakPolarHBondContact CA-O 3.41Å; V667-A682 PolarHBondContact N-O 2.98Å; V667-A682 VanDerWaalsContact N-O 3.15Å; I679-A682 PolarHBondContact O-N 3.42Å
683A57.3Low63.2Low18 Ų1887.4 Ų87.415%0.14945%0.452CS..EExtended strand (participates in β ladder)trans-109.3134.9-171.900000112.8V667 I675V667-A683 HydrophobicContact CB-CB 4.44Å; V667-A683 CarbonylContact O-C 3.58Å; V667-A683 WeakPolarHBondContact O-CA 3.36Å; V667-A683 WeakPolarHBondContact O-CB 3.35Å; I675-A683 HydrophobicContact CD1-CB 3.34Å
684V62.8Low62Low33 Ų3387.2 Ų87.220%0.244%0.44CS..EExtended strand (participates in β ladder)trans-101133.8175.8172.90000109V648 P666 V667 A668 A669V648-V684 HydrophobicContact CG1-CG2 4Å; V648-V684 HydrophobicContact CG2-CG1 3.99Å; V648-V684 HydrophobicContact CG2-CG2 4.34Å; P666-V684 HydrophobicContact CB-CG2 4.01Å; V667-V684 PolarHBondContact O-N 3.24Å; A668-V684 CarbonylContact C-O 3.52Å; A668-V684 VanDerWaalsContact CA-O 3.31Å; A668-V684 WeakPolarHBondContact CA-O 3.35Å; A669-V684 PolarHBondContact N-O 2.98Å
685I61.1Low61.1Low76 Ų7685.5 Ų85.539%0.3944%0.438SS..EExtended strand (participates in β ladder)trans-94.2132.8176.3-54.5173.2000108.6A669 K672 D687A669-I685 WeakPolarHBondContact O-CA 3.45Å; K672-I685 HydrophobicContact CB-CD1 3.87Å; K672-I685 HydrophobicContact CD-CD1 4.21Å; K672-I685 HydrophobicContact CG-CD1 4.34Å; I685-D687 PolarHBondContact O-N 3.23Å
686Y56.7Low60.1Low62 Ų6292.7 Ų92.724%0.24347%0.469CS..  trans-75.862.1173.9-79.1-67.8000112.5A668 A669 G688 L689A668-Y686 HydrophobicContact CB-CD2 4.17Å; A668-Y686 HydrophobicContact CB-CE2 3.39Å; A669-Y686 PolarHBondContact O-N 3.04Å; Y686-G688 VanDerWaalsContact C-N 3.31Å; Y686-G688 PolarHBondContact O-N 3.37Å; Y686-L689 HydrophobicContact CD1-CD1 4Å; Y686-L689 HydrophobicContact CG-CD1 4.01Å; Y686-L689 PolarHBondContact O-N 3.44Å; Y686-L689 VanDerWaalsContact O-N 3.14Å
687D56.9Low59.4Low107 Ų10792 Ų9257%0.57247%0.466SS*.Hα-helixtrans-55.4-44.1-179-168.116.7000112.1I685 L689 Y690 S691I685-D687 PolarHBondContact O-N 3.23Å; D687-L689 PolarHBondContact O-N 3Å; D687-L689 VanDerWaalsContact O-N 3.1Å; D687-Y690 PolarHBondContact O-N 2.62Å; D687-S691 WeakPolarHBondContact O-CB 3.37Å; D687-S691 PolarHBondContact O-N 2.73Å; D687-S691 VanDerWaalsContact O-N 3.09Å; D687-S691 PolarHBondContact O-OG 3.02Å; D687-S691 WeakPolarHBondContact OD1-CB 3.4Å; D687-S691 PolarHBondContact OD1-OG 3.05Å
688G58Low58.5Low43 Ų4389.5 Ų89.544%0.44346%0.461SS..Hα-helixtrans-66.5-10179.300000116.5Y686Y686-G688 VanDerWaalsContact C-N 3.31Å; Y686-G688 PolarHBondContact O-N 3.37Å
689L49.9Very low57.9Low43 Ų4388.8 Ų88.823%0.22546%0.456CS..Hα-helixtrans-90.4-30.7177.3-94.2163.7000113.7L632 V640 Y686 D687L632-L689 HydrophobicContact CD2-CD2 4.18Å; V640-L689 HydrophobicContact CG1-CD1 3.69Å; V640-L689 HydrophobicContact CG1-CD2 4.13Å; V640-L689 HydrophobicContact CG1-CG 3.65Å; Y686-L689 HydrophobicContact CD1-CD1 4Å; Y686-L689 HydrophobicContact CG-CD1 4.01Å; Y686-L689 PolarHBondContact O-N 3.44Å; Y686-L689 VanDerWaalsContact O-N 3.14Å; D687-L689 PolarHBondContact O-N 3Å; D687-L689 VanDerWaalsContact O-N 3.1Å
690Y50.9Low57.7Low148 Ų14889.1 Ų89.158%0.5846%0.461SS*.Hα-helixtrans-113.4-39.6-170.4-65.2-76.4000112.7A670 D687A670-Y690 HydrophobicContact CB-CD2 4.44Å; A670-Y690 HydrophobicContact CB-CE2 3.62Å; D687-Y690 PolarHBondContact O-N 2.62Å
691S53.8Low58Low36 Ų3692.3 Ų92.325%0.25248%0.483SS..G310 helixtrans-72.4-46-178.3-44.10000111.4D687 Q693 N694D687-S691 WeakPolarHBondContact O-CB 3.37Å; D687-S691 PolarHBondContact O-N 2.73Å; D687-S691 VanDerWaalsContact O-N 3.09Å; D687-S691 PolarHBondContact O-OG 3.02Å; D687-S691 WeakPolarHBondContact OD1-CB 3.4Å; D687-S691 PolarHBondContact OD1-OG 3.05Å; S691-Q693 PolarHBondContact O-N 2.89Å; S691-N694 PolarHBondContact O-N 3.13Å
692H54.2Low58.5Low128 Ų12892 Ų9259%0.59348%0.477SS*.G310 helixtrans-61.6-1.1-177.1-79.1-19.4000117
693Q55.5Low59.3Low98 Ų9893.6 Ų93.646%0.45847%0.474SS..G310 helixtrans-108.3-0.2176.3-59.6-166.618.200114.3S691 P695S691-Q693 PolarHBondContact O-N 2.89Å; Q693-P695 VanDerWaalsContact O-CD 3.31Å; Q693-P695 WeakPolarHBondContact O-CD 3.49Å
694N45Very low60Low68 Ų6896.6 Ų96.636%0.36449%0.487SS..  trans-75.9113.5172.5-177.23.8000110.6S691 F696 E697S691-N694 PolarHBondContact O-N 3.13Å; N694-F696 PolarHBondContact O-N 3.29Å; N694-F696 WeakPolarHBondContact OD1-CD2 3.24Å; N694-F696 PolarHBondContact OD1-N 3.11Å; N694-F696 VanDerWaalsContact OD1-N 3.08Å; N694-E697 HydrophobicContact CB-CB 3.96Å; N694-E697 PolarHBondContact O-N 3.47Å
695P51.4Low60.8Low99 Ų9998.9 Ų98.964%0.64350%0.496SS*.THydrogen-bonded Turntrans-69.9-11.7-17930.8-36.2000113.4Q693Q693-P695 VanDerWaalsContact O-CD 3.31Å; Q693-P695 WeakPolarHBondContact O-CD 3.49Å
696F45.7Very low61.6Low166 Ų166100.3 Ų100.373%0.72850%0.502SS*.THydrogen-bonded Turntrans-95.2-8.7-179.8-55.3-69.8000113.6N694 K698N694-F696 PolarHBondContact O-N 3.29Å; N694-F696 WeakPolarHBondContact OD1-CD2 3.24Å; N694-F696 PolarHBondContact OD1-N 3.11Å; N694-F696 VanDerWaalsContact OD1-N 3.08Å; F696-K698 VanDerWaalsContact C-N 3.27Å; F696-K698 PolarHBondContact O-N 3.16Å
697E57.6Low62.3Low118 Ų118104.3 Ų104.355%0.55152%0.518SS*.THydrogen-bonded Turntrans-88.814-176-159.2166.9-10800113.5N694N694-E697 HydrophobicContact CB-CB 3.96Å; N694-E697 PolarHBondContact O-N 3.47Å
698K57.7Low63.5Low165 Ų165106.3 Ų106.372%0.71752%0.517SS*.THydrogen-bonded Turntrans-123.70.4-178.5-76.4-161.8174.2-170.70115.5F696F696-K698 VanDerWaalsContact C-N 3.27Å; F696-K698 PolarHBondContact O-N 3.16Å
699I65.5Low64.4Low103 Ų103111.4 Ų111.453%0.52852%0.523SS..  trans-77.1121.8168-78.7173.9000107.6L704I699-L704 HydrophobicContact CG2-CB 4.39Å; I699-L704 HydrophobicContact CG2-CD1 3.7Å; I699-L704 HydrophobicContact CG2-CG 3.6Å
700T68.8Low65.7Low70 Ų70114.5 Ų114.543%0.42954%0.537SS..  trans-80.9155.5169.6580000110.8E702 E703 L704T700-E702 PolarHBondContact O-N 3.01Å; T700-E703 PolarHBondContact N-OE2 3.34Å; T700-E703 PolarHBondContact O-N 3.1Å; T700-E703 VanDerWaalsContact O-N 3.15Å; T700-E703 VanDerWaalsContact OG1-CG 3.28Å; T700-E703 WeakPolarHBondContact OG1-CG 3.18Å; T700-E703 PolarHBondContact OG1-N 2.69Å; T700-E703 VanDerWaalsContact OG1-N 3.16Å; T700-E703 PolarHBondContact OG1-OE2 3.09Å; T700-L704 PolarHBondContact O-N 3.28Å
701D77.5Confident67Low140 Ų140110.8 Ų110.875%0.74953%0.526SS*.Hα-helixtrans-59.2-30.4172.9-66.4-39.7000111.6L704 E705D701-L704 WeakPolarHBondContact O-CB 3.48Å; D701-L704 PolarHBondContact O-N 2.84Å; D701-E705 WeakPolarHBondContact O-CB 3.36Å; D701-E705 PolarHBondContact O-N 3.25Å
702E81.3Confident68.2Low150 Ų150114.4 Ų114.470%0.70154%0.539SS*.Hα-helixtrans-66.7-42175-173.8169.7-151.400112.6T700 E705 M706T700-E702 PolarHBondContact O-N 3.01Å; E702-E705 PolarHBondContact O-N 3.13Å; E702-M706 WeakPolarHBondContact O-CB 3.24Å; E702-M706 WeakPolarHBondContact O-CG 3.41Å; E702-M706 PolarHBondContact O-N 2.88Å
703E77.6Confident69.2Low94 Ų94112 Ų11244%0.43953%0.53SS..Hα-helixtrans-66.5-37.5172.6-74.2166129.100112.2T700 M706 Y707T700-E703 PolarHBondContact N-OE2 3.34Å; T700-E703 PolarHBondContact O-N 3.1Å; T700-E703 VanDerWaalsContact O-N 3.15Å; T700-E703 VanDerWaalsContact OG1-CG 3.28Å; T700-E703 WeakPolarHBondContact OG1-CG 3.18Å; T700-E703 PolarHBondContact OG1-N 2.69Å; T700-E703 VanDerWaalsContact OG1-N 3.16Å; T700-E703 PolarHBondContact OG1-OE2 3.09Å; E703-M706 HydrophobicContact CG-CE 4.48Å; E703-Y707 VanDerWaalsContact O-CB 3.3Å; E703-Y707 WeakPolarHBondContact O-CB 3.46Å; E703-Y707 PolarHBondContact O-N 3.21Å
704L73.2Confident70.2Confident82 Ų82114 Ų11443%0.42954%0.537SS..Hα-helixtrans-61.7-43.8173.5-102.9164000112I699 T700 D701 Y707 R708I699-L704 HydrophobicContact CG2-CB 4.39Å; I699-L704 HydrophobicContact CG2-CD1 3.7Å; I699-L704 HydrophobicContact CG2-CG 3.6Å; T700-L704 PolarHBondContact O-N 3.28Å; D701-L704 WeakPolarHBondContact O-CB 3.48Å; D701-L704 PolarHBondContact O-N 2.84Å; L704-Y707 PolarHBondContact O-N 3.49Å; L704-R708 PolarHBondContact O-N 2.95Å
705E78Confident71.8Confident80 Ų80116.5 Ų116.537%0.37455%0.551SS.*Hα-helixtrans-75.7-32.9-178.1-154.766.9-174.500112D701 E702 R708 R709D701-E705 WeakPolarHBondContact O-CB 3.36Å; D701-E705 PolarHBondContact O-N 3.25Å; E702-E705 PolarHBondContact O-N 3.13Å; E705-R708 WeakPolarHBondContact OE2-CD 3.39Å; E705-R708 IonicContact OE2-CZ 2.75Å; E705-R708 IonicContact OE2-NE 2.75Å; E705-R708 IonicContact OE2-NH1 3.17Å; E705-R708 PolarHBondContact OE2-NH1 3.05Å; E705-R709 WeakPolarHBondContact O-CG 3.5Å; E705-R709 PolarHBondContact O-N 3.43Å; E705-R709 VanDerWaalsContact O-N 3.07Å
706M78.9Confident72.7Confident107 Ų107116.1 Ų116.153%0.52754%0.543SS..Hα-helixtrans-63.1-44.4166.7-76.4-160.9-66.800111.9E702 E703 R708 R709 E710E702-M706 WeakPolarHBondContact O-CB 3.24Å; E702-M706 WeakPolarHBondContact O-CG 3.41Å; E702-M706 PolarHBondContact O-N 2.88Å; E703-M706 HydrophobicContact CG-CE 4.48Å; M706-R708 VanDerWaalsContact C-N 3.33Å; M706-R708 PolarHBondContact O-N 3.36Å; M706-R709 PolarHBondContact O-N 3.04Å; M706-E710 PolarHBondContact O-N 3.03Å
707Y71.8Confident73.7Confident145 Ų145112.2 Ų112.257%0.56954%0.535SS*.Hα-helixtrans-65.9-35.4178.6-174.4-112.9000112.3E703 L704 E710 I711E703-Y707 VanDerWaalsContact O-CB 3.3Å; E703-Y707 WeakPolarHBondContact O-CB 3.46Å; E703-Y707 PolarHBondContact O-N 3.21Å; L704-Y707 PolarHBondContact O-N 3.49Å; Y707-E710 PolarHBondContact O-N 2.94Å; Y707-I711 HydrophobicContact CD1-CD1 3.98Å; Y707-I711 HydrophobicContact CE1-CD1 3.46Å; Y707-I711 VanDerWaalsContact CE1-CD1 3.46Å; Y707-I711 HydrophobicContact CE1-CG1 4.42Å; Y707-I711 HydrophobicContact CE2-CD1 4.4Å; Y707-I711 WeakPolarHBondContact O-CG1 3.3Å; Y707-I711 PolarHBondContact O-N 3.44Å
708R80.5Confident74.2Confident149 Ų149113.1 Ų113.156%0.56254%0.543SS*.Hα-helixtrans-57.5-54168.1-90174.3166.3163.3-2.4111.9L704 E705 M706 E710 I711 E712L704-R708 PolarHBondContact O-N 2.95Å; E705-R708 WeakPolarHBondContact OE2-CD 3.39Å; E705-R708 IonicContact OE2-CZ 2.75Å; E705-R708 IonicContact OE2-NE 2.75Å; E705-R708 IonicContact OE2-NH1 3.17Å; E705-R708 PolarHBondContact OE2-NH1 3.05Å; M706-R708 VanDerWaalsContact C-N 3.33Å; M706-R708 PolarHBondContact O-N 3.36Å; R708-E710 VanDerWaalsContact C-N 3.29Å; R708-E710 PolarHBondContact O-N 3.34Å; R708-I711 WeakPolarHBondContact O-CA 3.25Å; R708-I711 WeakPolarHBondContact O-CB 3.44Å; R708-I711 PolarHBondContact O-N 3.16Å; R708-E712 PolarHBondContact O-N 3.5Å
709R78.7Confident74.4Confident150 Ų150108.9 Ų108.957%0.56653%0.528SS*.Hα-helixtrans-58.5-39.8178.8-72.3-178.9-173.3141.47.1112.2E705 M706 I711 E712 L713E705-R709 WeakPolarHBondContact O-CG 3.5Å; E705-R709 PolarHBondContact O-N 3.43Å; E705-R709 VanDerWaalsContact O-N 3.07Å; M706-R709 PolarHBondContact O-N 3.04Å; R709-I711 VanDerWaalsContact C-N 3.32Å; R709-I711 PolarHBondContact O-N 2.82Å; R709-E712 PolarHBondContact O-N 2.86Å; R709-L713 WeakPolarHBondContact O-CD1 3.4Å; R709-L713 PolarHBondContact O-N 3.37Å
710E77Confident74.2Confident109 Ų109106.8 Ų106.851%0.50952%0.52SS..Hα-helixtrans-70.6-27.1177.9-154.5-173.8148.300112.8M706 Y707 R708 K714M706-E710 PolarHBondContact O-N 3.03Å; Y707-E710 PolarHBondContact O-N 2.94Å; R708-E710 VanDerWaalsContact C-N 3.29Å; R708-E710 PolarHBondContact O-N 3.34Å; E710-K714 WeakPolarHBondContact O-CB 3.24Å; E710-K714 WeakPolarHBondContact O-CD 3.31Å; E710-K714 VanDerWaalsContact O-CG 3.24Å; E710-K714 WeakPolarHBondContact O-CG 3.3Å; E710-K714 PolarHBondContact O-N 3.44Å; E710-K714 WeakPolarHBondContact OE1-CE 3.4Å; E710-K714 IonicContact OE1-NZ 3.74Å; E710-K714 PolarHBondContact OE1-NZ 3.17Å
711I77.6Confident73.9Confident69 Ų69106.2 Ų106.235%0.35452%0.522SS..Hα-helixtrans-71.9-42.4168.3-75.3176.6000111.2Y707 R708 R709 K714 N715Y707-I711 HydrophobicContact CD1-CD1 3.98Å; Y707-I711 HydrophobicContact CE1-CD1 3.46Å; Y707-I711 VanDerWaalsContact CE1-CD1 3.46Å; Y707-I711 HydrophobicContact CE1-CG1 4.42Å; Y707-I711 HydrophobicContact CE2-CD1 4.4Å; Y707-I711 WeakPolarHBondContact O-CG1 3.3Å; Y707-I711 PolarHBondContact O-N 3.44Å; R708-I711 WeakPolarHBondContact O-CA 3.25Å; R708-I711 WeakPolarHBondContact O-CB 3.44Å; R708-I711 PolarHBondContact O-N 3.16Å; R709-I711 VanDerWaalsContact C-N 3.32Å; R709-I711 PolarHBondContact O-N 2.82Å; I711-K714 PolarHBondContact O-N 3.21Å; I711-K714 VanDerWaalsContact O-N 3.14Å; I711-N715 PolarHBondContact O-N 2.92Å
712E78.1Confident73.3Confident113 Ų113105.8 Ų105.853%0.52852%0.516SS..Hα-helixtrans-63.1-45.1177.7-71.3-178.7146.100111.8R708 R709 K714 N715 N716R708-E712 PolarHBondContact O-N 3.5Å; R709-E712 PolarHBondContact O-N 2.86Å; E712-K714 PolarHBondContact O-N 2.74Å; E712-N715 PolarHBondContact O-N 2.85Å; E712-N716 PolarHBondContact O-N 3.11Å
713L76.7Confident72.3Confident77 Ų77103.8 Ų103.840%0.40351%0.508SS..Hα-helixtrans-60.3-29.3172.5-95.392000113.3R709 V720R709-L713 WeakPolarHBondContact O-CD1 3.4Å; R709-L713 PolarHBondContact O-N 3.37Å; L713-V720 HydrophobicContact CD2-CG2 4.14Å; L713-V720 HydrophobicContact CG-CG2 4.42Å
714K76.9Confident71.5Confident141 Ų141104.7 Ų104.761%0.61352%0.516SS*.Hα-helixtrans-84.8-26.9178.8-77.1171.4-172161.70113.7E710 I711 E712E710-K714 WeakPolarHBondContact O-CB 3.24Å; E710-K714 WeakPolarHBondContact O-CD 3.31Å; E710-K714 VanDerWaalsContact O-CG 3.24Å; E710-K714 WeakPolarHBondContact O-CG 3.3Å; E710-K714 PolarHBondContact O-N 3.44Å; E710-K714 WeakPolarHBondContact OE1-CE 3.4Å; E710-K714 IonicContact OE1-NZ 3.74Å; E710-K714 PolarHBondContact OE1-NZ 3.17Å; I711-K714 PolarHBondContact O-N 3.21Å; I711-K714 VanDerWaalsContact O-N 3.14Å; E712-K714 PolarHBondContact O-N 2.74Å
715N76.8Confident70.7Confident120 Ų120108.2 Ų108.264%0.64253%0.53SS*.Hα-helixtrans-84.4-37.9175-80.2-11.3000112.2I711 E712 P717I711-N715 PolarHBondContact O-N 2.92Å; E712-N715 PolarHBondContact O-N 2.85Å; N715-P717 WeakPolarHBondContact O-CD 3.44Å
716N72Confident69.7Low90 Ų90110.9 Ų110.948%0.48155%0.545SS..  trans-116.282.9-178.2-70.1-20.1000110.7E712 D718 L719E712-N716 PolarHBondContact O-N 3.11Å; N716-D718 PolarHBondContact O-N 3.32Å; N716-D718 VanDerWaalsContact O-N 3.16Å; N716-L719 HydrophobicContact CB-CD1 3.8Å; N716-L719 HydrophobicContact CB-CG 3.96Å; N716-L719 PolarHBondContact O-N 3.29Å
717P65Low68.3Low85 Ų85110.6 Ų110.655%0.55255%0.55SS*.THydrogen-bonded Turntrans-61.6-23.4179.726.2-35.4000113.3N715 L719 V720N715-P717 WeakPolarHBondContact O-CD 3.44Å; P717-L719 VanDerWaalsContact C-N 3.25Å; P717-L719 PolarHBondContact O-N 2.81Å; P717-V720 WeakPolarHBondContact O-CB 3Å; P717-V720 WeakPolarHBondContact O-CG2 3.25Å; P717-V720 PolarHBondContact O-N 2.84Å; P717-V720 VanDerWaalsContact O-N 3.14Å
718D67.6Low67.1Low137 Ų137107 Ų10773%0.73356%0.557SS**Hα-helixtrans-64.6-27.8179.3-59.3-27.5000112.7N716 V720 A721N716-D718 PolarHBondContact O-N 3.32Å; N716-D718 VanDerWaalsContact O-N 3.16Å; D718-V720 PolarHBondContact O-N 3.44Å; D718-A721 PolarHBondContact O-N 3.43Å
719L63.9Low65.5Low75 Ų75107.9 Ų107.939%0.39357%0.568SS.*Hα-helixtrans-66-22.1176-66.3177.4000112.9N716 P717 A721 E722 M723N716-L719 HydrophobicContact CB-CD1 3.8Å; N716-L719 HydrophobicContact CB-CG 3.96Å; N716-L719 PolarHBondContact O-N 3.29Å; P717-L719 VanDerWaalsContact C-N 3.25Å; P717-L719 PolarHBondContact O-N 2.81Å; L719-A721 VanDerWaalsContact C-N 3.35Å; L719-E722 PolarHBondContact O-N 2.81Å; L719-M723 PolarHBondContact O-N 3.32Å
720V60.5Low63.5Low59 Ų59108.3 Ų108.336%0.35858%0.581SS.*Hα-helixtrans-66.7-39.9176.2-173.70000110.5L713 P717 D718 E722 M723 D724L713-V720 HydrophobicContact CD2-CG2 4.14Å; L713-V720 HydrophobicContact CG-CG2 4.42Å; P717-V720 WeakPolarHBondContact O-CB 3Å; P717-V720 WeakPolarHBondContact O-CG2 3.25Å; P717-V720 PolarHBondContact O-N 2.84Å; P717-V720 VanDerWaalsContact O-N 3.14Å; D718-V720 PolarHBondContact O-N 3.44Å; V720-E722 VanDerWaalsContact C-N 3.35Å; V720-E722 PolarHBondContact O-N 2.9Å; V720-M723 PolarHBondContact O-N 3.32Å; V720-D724 PolarHBondContact O-N 2.91Å; V720-D724 VanDerWaalsContact O-N 3.14Å
721A62.2Low61.5Low59 Ų59107.9 Ų107.949%0.48860%0.596SS.*Hα-helixtrans-68.7-32.9179.600000112.6D718 L719 H725D718-A721 PolarHBondContact O-N 3.43Å; L719-A721 VanDerWaalsContact C-N 3.35Å; A721-H725 PolarHBondContact O-CD2 3.26Å; A721-H725 PolarHBondContact O-N 3.06Å
722E65.3Low59.3Low131 Ų131109.7 Ų109.761%0.61262%0.615SS**Hα-helixtrans-71.1-34.7176.5-163165.7-131.700111.8L719 V720 H725L719-E722 PolarHBondContact O-N 2.81Å; V720-E722 VanDerWaalsContact C-N 3.35Å; V720-E722 PolarHBondContact O-N 2.9Å; E722-H725 PolarHBondContact O-N 3.02Å
723M59.7Low57.2Low108 Ų108112.6 Ų112.653%0.53263%0.626SS.*Hα-helixtrans-70.4-39.4175.6-160.6174.971.900112.8L719 V720 H725 L726 T727L719-M723 PolarHBondContact O-N 3.32Å; V720-M723 PolarHBondContact O-N 3.32Å; M723-H725 PolarHBondContact O-N 2.87Å; M723-L726 PolarHBondContact O-N 3.45Å; M723-L726 VanDerWaalsContact O-N 3.15Å; M723-T727 PolarHBondContact O-N 3.23Å
724D60.1Low55.2Low113 Ų113117.7 Ų117.760%0.60465%0.648SS**Hα-helixtrans-65.3-23173-93.4-11.3000113V720 T727V720-D724 PolarHBondContact O-N 2.91Å; V720-D724 VanDerWaalsContact O-N 3.14Å; D724-T727 PolarHBondContact O-OG1 2.72Å; D724-T727 VanDerWaalsContact O-OG1 3.12Å
725H57.6Low53Low156 Ų156115.4 Ų115.472%0.72266%0.655SS**Hα-helixtrans-75.7-22.6173.3-94.9-63.8000113.9A721 E722 M723A721-H725 PolarHBondContact O-CD2 3.26Å; A721-H725 PolarHBondContact O-N 3.06Å; E722-H725 PolarHBondContact O-N 3.02Å; M723-H725 PolarHBondContact O-N 2.87Å
726L56.5Low51.1Low135 Ų135115.1 Ų115.171%0.70766%0.66SS**Hα-helixtrans-87.7-28.6179.2-71.2170.6000113.4M723 G728M723-L726 PolarHBondContact O-N 3.45Å; M723-L726 VanDerWaalsContact O-N 3.15Å; L726-G728 PolarHBondContact O-N 2.93Å
727T50.2Low49.2Very low101 Ų101116 Ų11662%0.6267%0.674SS**G310 helixtrans-69-17.2178.752.30000113.5M723 D724 Q729M723-T727 PolarHBondContact O-N 3.23Å; D724-T727 PolarHBondContact O-OG1 2.72Å; D724-T727 VanDerWaalsContact O-OG1 3.12Å; T727-Q729 PolarHBondContact O-N 2.8Å
728G47Very low47.6Very low70 Ų70117.4 Ų117.472%0.72269%0.685SS**G310 helixtrans-74.3-5.5-174.500000117.6L726L726-G728 PolarHBondContact O-N 2.93Å
729Q46.7Very low45.9Very low167 Ų167117.8 Ų117.878%0.7869%0.692SS**G310 helixtrans-101-18.2-168.6-68.9-165.4-0.800117.1T727T727-Q729 PolarHBondContact O-N 2.8Å
730N37.1Very low44.2Very low160 Ų160118.4 Ų118.486%0.85671%0.708SS**  trans-122.291.2-172.4-76.9-46.3000113
731A33.2Very low42.6Very low100 Ų100124.6 Ų124.683%0.82673%0.733SS**  trans-14494.9175.600000112.8
732S32.8Very low41Very low106 Ų106129.2 Ų129.274%0.74175%0.749SS**  trans-167.3163.5159.950.90000112
733F33.6Very low39.3Very low175 Ų175129.4 Ų129.477%0.76875%0.752SS**  trans71.988.7173.5-66.8-76.2000119.8
734E33.7Very low38Very low183 Ų183130.7 Ų130.786%0.85576%0.762SS**  47.8148.6115.6-61.1-176.3131.800122.7
735A31Very low36.5Very low93 Ų93130.1 Ų130.177%0.76977%0.766SS**  trans-139.3-168.7-178.300000108.3
736P36.8Very low35.4Very low114 Ų114131 Ų13174%0.7478%0.775SS**  cis-140.8-165.7-0.843.5-24.2000115.6
737S32Very low34.3Very low110 Ų110128.2 Ų128.277%0.76977%0.772SS**  trans80.6109.8151.271.60000120.9
738S32.8Very low33.7Very low113 Ų113129.5 Ų129.579%0.7978%0.78SS**  -164.8172.996.464.50000111.8
739T30.7Very low33Very low145 Ų145133.3 Ų133.389%0.8978%0.783SS**  trans-44.4135.8-17737.20000116.8
740A29.2Very low32.5Very low88 Ų88130.7 Ų130.773%0.72778%0.783SS**  trans-124.4137174.600000112.7
741H27.6Very low32.3Very low190 Ų190126.4 Ų126.488%0.8878%0.777SS**  trans160.477.4147.8-93.4-64.4000110.9
742L27.8Very low32.3Very low156 Ų156126 Ų12682%0.81777%0.774SS**  trans-152.7131.5166.4-80.6-174.5000112
743I29.8Very low32.3Very low134 Ų134126.6 Ų126.669%0.68777%0.773SS**  trans75.1148.6137-63.9169.3000119.7
744D31.6Very low32.2Very low136 Ų136124.7 Ų124.773%0.72777%0.771SS**  trans68.1133.4169.5-67.2-24.5000121.2
745S29.4Very low32.3Very low100 Ų100123.1 Ų123.170%0.69977%0.768SS**  cis87.171.628.5-48.10000115.1
746L34.6Very low32.4Very low174 Ų174126.4 Ų126.491%0.91177%0.767SS**  trans-146.3151.8161.3-68.3177.2000109.3
747A34Very low32Very low77 Ų77126.2 Ų126.264%0.63677%0.769SS**  cis-169.1153.8-23.100000109.7
748V37.5Very low32.1Very low129 Ų129125.2 Ų125.278%0.78277%0.767SS**  trans40.5105.6138.7179.30000117.4
749D31.3Very low32Very low149 Ų149125 Ų12580%0.79777%0.765SS**  85.1156.267.5-171.429.6000114.1
750S36.8Very low32.1Very low112 Ų112126.6 Ų126.678%0.78376%0.763SS**  trans82.3139-167.6-370000115.7
751G31.7Very low32.3Very low71 Ų71130.8 Ų130.873%0.73277%0.772SS**  cis163.1166.4-7.900000112.9
752A34.9Very low32.3Very low91 Ų91124.7 Ų124.775%0.75276%0.76SS**  trans50.7109.7162.300000119.5
753T32.5Very low32.7Very low118 Ų118123.1 Ų123.172%0.72476%0.76SS**  86.1131.759.262.30000117.1
754D30.6Very low32.7Very low135 Ų135122.8 Ų122.872%0.72276%0.764SS**  trans83152.3148.4-54.6-24.9000123.6
755L36.6Very low32.8Very low150 Ų150123.1 Ų123.179%0.78576%0.764SS**  trans70.1161.8161.5-59.8131.4000119
756E32.3Very low33Very low163 Ų163126.6 Ų126.676%0.76277%0.769SS**  -162.7163.4-53.8-128.8-164.9142.100110.2
757S28.9Very low32.6Very low110 Ų110123.4 Ų123.477%0.76976%0.761SS**  trans-26.5121.6172.6-48.80000121
758A34.4Very low32.6Very low89 Ų89127.3 Ų127.374%0.73677%0.771SS**  trans-167.7122.714900000108.5
759S30.3Very low32.2Very low108 Ų108125.8 Ų125.876%0.75577%0.766SS**  cis95.2121.542.174.10000114.5
760E31.8Very low32.2Very low179 Ų179126.6 Ų126.684%0.83677%0.765SS**  trans67.2108.8158.4-56.7-172.2168.300121.1
761L34.9Very low31.9Very low175 Ų175128.3 Ų128.392%0.91676%0.764SS**  169153107.2-88.7166.2000112.1
762G25.9Very low31.6Very low62 Ų62130.6 Ų130.664%0.63977%0.769SS**  trans-128.2172.7177.300000113.1
763P37.5Very low31.5Very low124 Ų124132.5 Ų132.581%0.80577%0.774SS**  -135.9146.4112.135.6-24.4000112.9
764T28.5Very low31.1Very low127 Ų127132 Ų13278%0.77978%0.776SS**  cis94.3138.245.1-49.30000113.3
765I35.1Very low31Very low142 Ų142131.1 Ų131.173%0.72878%0.775SS**  trans76.6130-177.4-49.3-176.3000113.3
766H33Very low30.8Very low173 Ų173133 Ų13380%0.80178%0.779SS**  cis-135.9164.7-12.8-91.3-54.1000107.6
767S26Very low30.5Very low107 Ų107133.1 Ų133.175%0.74879%0.785SS**  cis109.765.65.3-160.10000117.5
768L34.3Very low30.7Very low160 Ų160132.8 Ų132.884%0.83879%0.789SS**  trans-157.8100.8157.8-91.9170.7000106.6
769S28.2Very low30.4Very low97 Ų97139.3 Ų139.368%0.67879%0.794SS**  49.512677.4740000113.5
770E31.9Very low30.4Very low166 Ų166140.4 Ų140.478%0.77680%0.796SS**  cis-151.4158.739.4-79.5-170.7130.700116.8
771L30.9Very low30.4Very low147 Ų147135.5 Ų135.577%0.7779%0.794SS**  trans59.3110145.6-66.5165.4000122
772S24.6Very low30Very low119 Ų119133.4 Ų133.483%0.83278%0.779SS**  trans-142.3124.3145.7-73.90000109.5
773P33Very low30.4Very low132 Ų132138.7 Ų138.786%0.85779%0.791SS**  trans-85.6148.417733.7-33.1000111.9
774S24.7Very low29.9Very low108 Ų108141.2 Ų141.276%0.75578%0.784SS**  trans-140163174.4-174.10000109.9
775V28.6Very low30.2Very low116 Ų116144 Ų14470%0.70379%0.788SS**  trans68.3131.4174.4-174.10000115.2
776H31.2Very low29.9Very low190 Ų190141.7 Ų141.788%0.8879%0.785SS**  -165.9128.8124.8-104.875.9000111.6
777N26.6Very low29.8Very low165 Ų165142.8 Ų142.888%0.88279%0.79SS**  trans-103.8117.4176.1-100.8-24.2000109.8
778A32.3Very low29.9Very low103 Ų103142.8 Ų142.885%0.85179%0.786SS**  trans-178.4158.7159.500000111.8
779R29.7Very low29.9Very low226 Ų226145.9 Ų145.985%0.85379%0.788SS**  cis-171.9126.7-30.6175.8175.3178.7-176.70109.3
780V28.8Very low30.1Very low130 Ų130146.7 Ų146.779%0.78879%0.791SS**  trans66138.9160.9169.50000118.4
781G32Very low29.9Very low76 Ų76146.5 Ų146.578%0.78479%0.794SS**  trans-177.463.9170.500000111.7
782E27.3Very low30Very low132 Ų132146.6 Ų146.662%0.61780%0.795SS**  trans-70.4126.4177.3-76.8-170.186.400112.2R784E782-R784 IonicContact OE1-CZ 2.77Å; E782-R784 IonicContact OE1-NE 3.98Å; E782-R784 PolarHBondContact OE1-NE 2.7Å; E782-R784 IonicContact OE1-NH2 2.73Å; E782-R784 PolarHBondContact OE1-NH2 3.28Å; E782-R784 IonicContact OE2-NH2 3.56Å
783I33.9Very low30.3Very low172 Ų172145.1 Ų145.188%0.88279%0.785SS**  trans-131.8138.5139.7-60.7-175.5000107.2
784R27.6Very low30.2Very low177 Ų177145.1 Ų145.167%0.66879%0.785SS**  trans-109.3145.2-174-55.5174.7-174.9170.22.9110.1E782E782-R784 IonicContact OE1-CZ 2.77Å; E782-R784 IonicContact OE1-NE 3.98Å; E782-R784 PolarHBondContact OE1-NE 2.7Å; E782-R784 IonicContact OE1-NH2 2.73Å; E782-R784 PolarHBondContact OE1-NH2 3.28Å; E782-R784 IonicContact OE2-NH2 3.56Å
785H34.1Very low30.6Very low185 Ų185146.2 Ų146.286%0.85679%0.787SS**  trans179.192.8143-89.8-56.4000106.7
786S29.7Very low30.7Very low94 Ų94147.5 Ų147.566%0.65780%0.795SS**  75.176.457.385.70000114.3
787E31Very low30.8Very low197 Ų197142 Ų14292%0.92179%0.79SS**  trans-143.4155.6142.6-121.7164.6-138.500109.4
788T28.1Very low30.8Very low107 Ų107146 Ų14666%0.65679%0.792SS**  trans-143.5150.8-162.3-62.10000108.7
789Y33.7Very low30.9Very low224 Ų224149.5 Ų149.588%0.87880%0.796SS**  trans170.9160.3136.5-83.3-48.5000110.3
790P32.1Very low31.2Very low114 Ų114142.9 Ų142.974%0.7479%0.79SS**  -115172.9-127.742-36.5000116.2
791I28.6Very low31.6Very low163 Ų163142.5 Ų142.584%0.83679%0.79SS**  trans-64.8132161.1-60.2160.6000109.4
792D32.8Very low32.3Very low148 Ų148144.6 Ų144.679%0.79179%0.79SS**  trans-162.5155.3144.6-130.3-29.5000115.7
793S31.3Very low32.7Very low89 Ų89144.2 Ų144.262%0.62280%0.799SS**  trans63.4124.416775.20000120.9
794P30.6Very low32.5Very low132 Ų132142.8 Ų142.886%0.85780%0.798SS**  trans-96.7122160.733.9-27.5000111.3
795V33.6Very low32.8Very low131 Ų131141.3 Ų141.379%0.79481%0.809SS**  trans-106.2122.1-179.3-178.90000111.9G797V795-G797 PolarHBondContact O-N 3.25Å
796T29.1Very low32.7Very low142 Ų142135.9 Ų135.987%0.87180%0.803SS**  trans-75.7103.117750.60000112.3
797G33.3Very low32.8Very low76 Ų76138.2 Ų138.278%0.78481%0.813SS**  trans-94.699.3175.900000113.7V795V795-G797 PolarHBondContact O-N 3.25Å
798R28.2Very low32.8Very low247 Ų247136.6 Ų136.693%0.93281%0.81SS**  trans-94.3108.7176.4-177.2-171.6-174.4-159.14.5110.5
799L34.4Very low33.1Very low177 Ų177138.6 Ų138.693%0.92782%0.822SS**  trans-112.7149.3174.7-77.2167.7000112.1
800A35.8Very low33.2Very low88 Ų88132.8 Ų132.873%0.72782%0.815SS**  trans-126.7156.6-170.400000111.4
801P36.8Very low33.2Very low121 Ų121135.6 Ų135.679%0.78682%0.818SS**PPolyproline II helixtrans-74151.6179.430.8-35.6000112.8
802P46.7Very low33.7Very low121 Ų121132.5 Ų132.579%0.78681%0.808SS**PPolyproline II helixtrans-77.6161.5-179.832.1-35.8000113.7
803P35.9Very low33.8Very low124 Ų124131.3 Ų131.381%0.80581%0.812SS**PPolyproline II helixtrans-94.8163.9-166.837.4-37.3000115.5
804T28.2Very low34.2Very low142 Ų142130 Ų13087%0.87181%0.813SS**PPolyproline II helixtrans-101.5132.8174.651.10000112.8
805T35.6Very low34.5Very low146 Ų146129.6 Ų129.690%0.89681%0.807SS**  trans-141.7145.2165.9-44.30000108.9
806G30.5Very low34.7Very low70 Ų70131.6 Ų131.672%0.72281%0.808SS**  trans-150.5168.7179.100000113.2
807T32.5Very low35.1Very low143 Ų143131.3 Ų131.388%0.87780%0.802SS**  trans-144.6150.7-178-44.70000110.4
808L31.1Very low35.2Very low164 Ų164135 Ų13586%0.85980%0.8SS**  trans-116.6148.8-174.9-65.2163.4000112.3
809T34Very low35.7Very low148 Ų148129.1 Ų129.191%0.90880%0.797SS**  trans-152.1169.5152.342.50000110.1
810S35.8Very low35.5Very low103 Ų103130 Ų13072%0.7280%0.796SS**  trans-142.9143.3-142.656.30000117.5
811E31.8Very low35.5Very low173 Ų173133.8 Ų133.881%0.80880%0.804SS**  trans69.2169.6135.8-64.1-70.9100.300120.3
812P40.7Very low35.3Very low97 Ų97133.6 Ų133.663%0.6380%0.797SS**  -146.1-171.3-53.343.3-26.6000116.9
813S34.7Very low34.8Very low124 Ų124131 Ų13187%0.86779%0.792SS**  trans108.9144139.675.90000123.4
814G38Very low34.6Very low62 Ų62133.4 Ų133.464%0.63979%0.79SS**  trans111.79217100000115.6
815T38.7Very low35.1Very low122 Ų122136 Ų13675%0.74879%0.792SS**  67.3142.787.658.90000115.9
816E36.9Very low35.3Very low173 Ų173138.6 Ų138.681%0.80879%0.791SS**  cis-156.2-170.2-7.3-99.8151.2164.700106.9
817D36.9Very low35.3Very low137 Ų137145.5 Ų145.573%0.73380%0.801SS**  cis-160-165.120.3-165.529.9000113.4
818M36.6Very low35.5Very low153 Ų153148.1 Ų148.175%0.75480%0.8SS**  trans-53.2149.2-173.6-62.1-62.2156.100123.4
819S37.3Very low35.7Very low124 Ų124150.6 Ų150.687%0.86780%0.804SS**  160.8156.810153.80000116
820E32.1Very low35.9Very low195 Ų195154.5 Ų154.591%0.91180%0.802SS**  trans-117.2162.1-167.4-55.4177.6107.600116.2
821N34.4Very low35.9Very low168 Ų168161.2 Ų161.290%0.89881%0.811SS**  trans-160.3153.9135.4-141-34.1000113.7
822D32.5Very low36.1Very low117 Ų117162.5 Ų162.563%0.62682%0.815SS**  trans-117.4153.9-173.2176.835.1000113.6K824D822-K824 IonicContact OD2-NZ 3.85Å; D822-K824 PolarHBondContact OD2-NZ 3.31Å
823G36.8Very low36Very low67 Ų67167.2 Ų167.269%0.69183%0.825SS**  trans-155.476.2-169.600000116.1
824K32.5Very low36.1Very low174 Ų174169 Ų16976%0.75783%0.825SS**  trans-65.7133.1-177.9-65.5169.1176.479.30114.5D822D822-K824 IonicContact OD2-NZ 3.85Å; D822-K824 PolarHBondContact OD2-NZ 3.31Å
825H38.6Very low36.2Very low196 Ų196171.6 Ų171.691%0.90783%0.83SS**  trans-129.1144.5165.9-110.5-95.2000114.7
826K39Very low36.2Very low201 Ų201170.9 Ų170.987%0.87483%0.83SS**  trans-92.9141.4-164.9-67.6174.3178.2172.20114.3K828K826-K828 PolarHBondContact O-N 3.42Å
827K31.4Very low36.3Very low215 Ų215172.6 Ų172.694%0.93584%0.835SS**  trans-54.4129.2167.3-74.8173.9175.3169.60111.5
828K36.7Very low36.2Very low197 Ų197171.4 Ų171.486%0.85784%0.837SS**  trans-133.4111.2163.6-99.1-176.5175.6176.40110.8K826 R830K826-K828 PolarHBondContact O-N 3.42Å; K828-R830 PolarHBondContact O-N 2.78Å
829K34.2Very low36.5Very low217 Ų217172.3 Ų172.394%0.94384%0.844SS**  trans-65.1119.6169.3-71.3179.2175.4178.50109.2
830R37.5Very low36.6Very low230 Ų230175.8 Ų175.887%0.86884%0.844SS**  trans-107.3111.5164.8-72.1-171.674.1176.71.5109.5K828K828-R830 PolarHBondContact O-N 2.78Å
831R35.7Very low37Very low243 Ų243172.1 Ų172.192%0.91784%0.837SS**  trans-82.8109.7178.5-173-179.9-173.2-179.12.8108.5K833R831-K833 PolarHBondContact O-N 2.77Å
832F37.3Very low37.1Very low201 Ų201173.5 Ų173.588%0.88284%0.835SS**PPolyproline II helixtrans-65.5128.3172.3-87.6-93.3000109.8
833K37.9Very low37.8Very low195 Ų195175.8 Ų175.885%0.84885%0.847SS**PPolyproline II helixtrans-95133.8166.8-84.5-175.1170.9-175.70108.5R831R831-K833 PolarHBondContact O-N 2.77Å
834L37.6Very low37.9Very low163 Ų163182 Ų18285%0.85386%0.855SS**PPolyproline II helixtrans-73.4140.5163.5-68.6165.6000109.3S836L834-S836 PolarHBondContact O-N 2.92Å
835P40.1Very low38.4Very low116 Ų116179.6 Ų179.675%0.75386%0.86SS**  trans-78.4104.616830.1-29.3000109.6
836S38.9Very low38.4Very low107 Ų107179.5 Ų179.575%0.74886%0.857SS**  trans-77.2120.8172.954.60000110.8L834 S838L834-S836 PolarHBondContact O-N 2.92Å; S836-S838 PolarHBondContact O-N 3.44Å
837F38Very low38.4Very low209 Ų209175.8 Ų175.892%0.91786%0.857SS**  trans-67115.1167.4-83.5-91.8000110L839F837-L839 PolarHBondContact O-N 3.33Å
838S36.2Very low38.9Very low111 Ų111178.6 Ų178.678%0.77687%0.869SS**  trans-87.4102.7178.140.50000111.3S836 K840S836-S838 PolarHBondContact O-N 3.44Å; S838-K840 PolarHBondContact O-N 2.7Å
839L41.3Very low39.1Very low173 Ų173177.7 Ų177.791%0.90687%0.869SS**PPolyproline II helixtrans-65.4117.2164.7-71.4168.8000109.2F837F837-L839 PolarHBondContact O-N 3.33Å
840K39.9Very low39.3Very low196 Ų196175.6 Ų175.685%0.85287%0.865SS**PPolyproline II helixtrans-73.8132.2168.2-71.3-175.7176.4-178.10109.4S838S838-K840 PolarHBondContact O-N 2.7Å
841P41.3Very low39.4Very low118 Ų118172.6 Ų172.677%0.76687%0.865SS**PPolyproline II helixtrans-68.4157.5171.530.1-34.3000111
842K35.1Very low39.6Very low198 Ų198168.4 Ų168.486%0.86186%0.862SS**PPolyproline II helixtrans-81.2134.2167.2-74.2175.5175172.50109.3
843D46.9Very low39.8Very low164 Ų164166.4 Ų166.488%0.87786%0.861SS**  trans-114.5147.6153.1-100.1-52.6000110.5
844K39Very low39.9Very low199 Ų199164.5 Ų164.587%0.86586%0.862SS**  trans-112.5107.3176.6-73.5-179.4177.6178.10109.3
845S43.2Very low40.1Very low123 Ų123164.6 Ų164.686%0.8686%0.862SS**  trans-89.8147.3157.946.60000110.4
846K38.4Very low40.1Very low194 Ų194168.3 Ų168.384%0.84387%0.871SS**  trans-102.7160.8175.2-76.7178.6173.7178.20110.1
847S40.7Very low40.2Very low123 Ų123173.4 Ų173.486%0.8688%0.881SS**  trans64.6150.5174.3650000115.2
848K42.3Very low40.4Very low273 Ų273170.2 Ų170.2100%1.18788%0.878SS**  cis-128.4010.8-153.9177.6-172.3-178.20111.8

Retrieved 848 of 848 residues in 583.2 ms (Link to these results)

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