A0A096MQ13_PAPAN Loading...

Shisa family member 2

AlphaFold DB , UniProt , Accession A0A096MQ13, Species PAPAN (Papio anubis, Olive baboon), Gene SHISA2, Length 295 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.1Very low45.7Very low247 Ų247147.2 Ų147.2100%1.21781%0.805SS**  0134.50-69.2149.581.200108.3
2W37.6Very low46.2Very low271 Ų271140.6 Ų140.6100%1.02778%0.777SS**  trans-76.6141.2-170.3-130.2-13.7000111.6
3G43.3Very low46.9Very low75 Ų75144 Ų14477%0.77377%0.771SS**  trans-85.3132.9179.700000113.1
4G41.7Very low47.9Very low78 Ų78140.9 Ų140.980%0.80475%0.754SS**  trans-107.399.7171.900000112.3
5R49.4Very low48.9Very low243 Ų243135.5 Ų135.592%0.91774%0.737SS**  trans-117.481.7164.7-65.4-169.8-150.1-108.33.5110.3
6R53.1Low50.1Low244 Ų244130.2 Ų130.292%0.92172%0.717SS**  trans-101.487.7170.9-66.6-174.2-175.9-161.63.5109.9
7S52.2Low51.6Low98 Ų98125.9 Ų125.969%0.68570%0.699SS**  trans-147.3-48.3173.7-49.60000115.9V9 A10S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 PolarHBondContact O-N 2.95Å; S7-V9 VanDerWaalsContact O-N 3.16Å; S7-A10 PolarHBondContact O-N 3.02Å
8S47.7Very low53Low110 Ų110125.2 Ų125.277%0.76969%0.693SS**Hα-helixtrans-70.3-16-167.9-55.10000116.4
9V46.8Very low54.4Low110 Ų110124.8 Ų124.867%0.66769%0.689SS**Hα-helixtrans-74.4-25-179.61790000112.4S7 R13S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 PolarHBondContact O-N 2.95Å; S7-V9 VanDerWaalsContact O-N 3.16Å; V9-R13 WeakPolarHBondContact O-CG 3.47Å
10A43.8Very low55.7Low56 Ų56125.5 Ų125.546%0.46369%0.687SS.*Hα-helixtrans-70.8-48.6179.700000112.1S7 S12 R13 N14S7-A10 PolarHBondContact O-N 3.02Å; A10-S12 PolarHBondContact O-N 2.75Å; A10-R13 PolarHBondContact O-N 2.71Å; A10-R13 VanDerWaalsContact O-N 3.16Å; A10-N14 VanDerWaalsContact O-CG 3.28Å; A10-N14 PolarHBondContact O-N 2.78Å; A10-N14 VanDerWaalsContact O-N 3.09Å; A10-N14 PolarHBondContact O-OD1 2.69Å
11S48.1Very low57Low87 Ų87124.9 Ų124.961%0.60868%0.682SS**Hα-helixtrans-61.6-40.6-172-168.10000113.5R13 N14 A15S11-R13 PolarHBondContact O-N 3.16Å; S11-N14 PolarHBondContact O-N 2.8Å; S11-A15 PolarHBondContact O-N 3.24Å; S11-A15 VanDerWaalsContact O-N 3.11Å
12S51.9Low59Low68 Ų68118.1 Ų118.148%0.47665%0.65SS.*Hα-helixtrans-72-27.1179.1-173.70000113.8A10 A16A10-S12 PolarHBondContact O-N 2.75Å; S12-A16 PolarHBondContact O-N 3.09Å
13R55.6Low61.1Low185 Ų185110.1 Ų110.170%0.69863%0.627SS**Hα-helixtrans-74.6-38.9174.8-67.7175.877.2174.54.4110.3V9 A10 S11 A16 S17V9-R13 WeakPolarHBondContact O-CG 3.47Å; A10-R13 PolarHBondContact O-N 2.71Å; A10-R13 VanDerWaalsContact O-N 3.16Å; S11-R13 PolarHBondContact O-N 3.16Å; R13-A16 PolarHBondContact O-N 3.38Å; R13-S17 WeakPolarHBondContact O-CB 3.29Å; R13-S17 PolarHBondContact O-N 2.85Å
14N60.3Low62.8Low100 Ų100109.2 Ų109.254%0.53561%0.612SS.*Hα-helixtrans-63.7-43.2176.7-63.4-0.9000111.8A10 S11 S17 L18A10-N14 VanDerWaalsContact O-CG 3.28Å; A10-N14 PolarHBondContact O-N 2.78Å; A10-N14 VanDerWaalsContact O-N 3.09Å; A10-N14 PolarHBondContact O-OD1 2.69Å; S11-N14 PolarHBondContact O-N 2.8Å; N14-S17 PolarHBondContact O-N 2.82Å; N14-L18 VanDerWaalsContact O-CB 3.24Å; N14-L18 WeakPolarHBondContact O-CB 3.21Å; N14-L18 VanDerWaalsContact O-CG 3.3Å; N14-L18 WeakPolarHBondContact O-CG 3.39Å; N14-L18 PolarHBondContact O-N 3.11Å
15A62.9Low64.3Low60 Ų60108.2 Ų108.250%0.49660%0.597SS.*Hα-helixtrans-65.3-43177.700000113.2S11 L18 L19S11-A15 PolarHBondContact O-N 3.24Å; S11-A15 VanDerWaalsContact O-N 3.11Å; A15-L18 PolarHBondContact O-N 3.38Å; A15-L19 WeakPolarHBondContact O-CB 3.38Å; A15-L19 PolarHBondContact O-N 2.89Å
16A68.1Low65.4Low51 Ų51102 Ų10242%0.42158%0.581SS.*Hα-helixtrans-66.3-42.2175.500000111.9S12 R13 L19 Q20S12-A16 PolarHBondContact O-N 3.09Å; R13-A16 PolarHBondContact O-N 3.38Å; A16-L19 PolarHBondContact O-N 3.48Å; A16-Q20 WeakPolarHBondContact O-CG 3.35Å; A16-Q20 PolarHBondContact O-N 2.97Å
17S75.4Confident66.2Low58 Ų5896.1 Ų96.141%0.40657%0.567SS.*Hα-helixtrans-67.6-35.9177.2-167.70000112.4R13 N14 Q20 L21R13-S17 WeakPolarHBondContact O-CB 3.29Å; R13-S17 PolarHBondContact O-N 2.85Å; N14-S17 PolarHBondContact O-N 2.82Å; S17-Q20 PolarHBondContact O-N 3.16Å; S17-L21 WeakPolarHBondContact O-CB 3.01Å; S17-L21 PolarHBondContact O-N 3.33Å
18L76.9Confident66.6Low112 Ų11293.1 Ų93.159%0.58655%0.548SS*.Hα-helixtrans-64.1-45.8171.7-84.4164.6000111N14 A15 Q20 L21 L22N14-L18 VanDerWaalsContact O-CB 3.24Å; N14-L18 WeakPolarHBondContact O-CB 3.21Å; N14-L18 VanDerWaalsContact O-CG 3.3Å; N14-L18 WeakPolarHBondContact O-CG 3.39Å; N14-L18 PolarHBondContact O-N 3.11Å; A15-L18 PolarHBondContact O-N 3.38Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; L18-Q20 PolarHBondContact O-N 3.47Å; L18-L21 WeakPolarHBondContact O-CB 3.3Å; L18-L21 PolarHBondContact O-N 2.95Å; L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 PolarHBondContact O-N 3.44Å
19L80.4Confident67.2Low118 Ų11890.8 Ų90.862%0.61854%0.536SS*.Hα-helixtrans-62.1-41.3176.5-176.863.9000111.6A15 A16 L22 L23A15-L19 WeakPolarHBondContact O-CB 3.38Å; A15-L19 PolarHBondContact O-N 2.89Å; A16-L19 PolarHBondContact O-N 3.48Å; L19-L22 PolarHBondContact O-N 3.46Å; L19-L23 WeakPolarHBondContact O-CB 3.24Å; L19-L23 PolarHBondContact O-N 3.48Å
20Q80.8Confident67.7Low138 Ų13887.9 Ų87.965%0.64553%0.528SS*.Hα-helixtrans-64.4-40.5174-73177.2-63.400112.3A16 S17 L18 A24A16-Q20 WeakPolarHBondContact O-CG 3.35Å; A16-Q20 PolarHBondContact O-N 2.97Å; S17-Q20 PolarHBondContact O-N 3.16Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; L18-Q20 PolarHBondContact O-N 3.47Å; Q20-A24 WeakPolarHBondContact O-CB 3.21Å; Q20-A24 PolarHBondContact O-N 3.32Å
21L81.6Confident68.3Low113 Ų11389.2 Ų89.259%0.59254%0.539SS*.Hα-helixtrans-63.1-40.6172.9-92.7155.4000112.1S17 L18 A24 A25S17-L21 WeakPolarHBondContact O-CB 3.01Å; S17-L21 PolarHBondContact O-N 3.33Å; L18-L21 WeakPolarHBondContact O-CB 3.3Å; L18-L21 PolarHBondContact O-N 2.95Å; L21-A24 PolarHBondContact O-N 3.23Å; L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 2.81Å
22L81.4Confident68.5Low105 Ų10594.6 Ų94.655%0.5555%0.546SS..Hα-helixtrans-69-41.9178.5-131.4154.2000111.2L18 L19 A25 L26L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 PolarHBondContact O-N 3.44Å; L19-L22 PolarHBondContact O-N 3.46Å; L22-A25 PolarHBondContact O-N 2.89Å; L22-L26 HydrophobicContact CD2-CD1 3.87Å; L22-L26 HydrophobicContact CD2-CG 4.37Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 WeakPolarHBondContact O-CD1 3.37Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.13Å; L22-L26 PolarHBondContact O-N 2.82Å
23L81.8Confident68.7Low104 Ų10494.9 Ų94.955%0.54555%0.552SS.*Hα-helixtrans-65.9-42.9174.8-147.880.5000111.3L19 L26 L27L19-L23 WeakPolarHBondContact O-CB 3.24Å; L19-L23 PolarHBondContact O-N 3.48Å; L23-L26 PolarHBondContact O-N 3.49Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.33Å; L23-L27 PolarHBondContact O-N 3.44Å
24A78.9Confident69.6Low55 Ų5590.2 Ų90.246%0.45555%0.548SS..Hα-helixtrans-64.3-39.2174.500000111.8Q20 L21 A28Q20-A24 WeakPolarHBondContact O-CB 3.21Å; Q20-A24 PolarHBondContact O-N 3.32Å; L21-A24 PolarHBondContact O-N 3.23Å; A24-A28 WeakPolarHBondContact O-CB 3.31Å; A24-A28 PolarHBondContact O-N 3.36Å
25A73.8Confident71Confident58 Ų5886.3 Ų86.348%0.47953%0.532SS..Hα-helixtrans-66.8-41.4175.100000112.2L21 L22 A28 A29L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 2.81Å; L22-A25 PolarHBondContact O-N 2.89Å; A25-A28 PolarHBondContact O-N 3.34Å; A25-A29 VanDerWaalsContact O-CB 3.24Å; A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 3.03Å
26L72Confident72.6Confident111 Ų11185.7 Ų85.758%0.58152%0.518SS*.Hα-helixtrans-62.7-45.9174.4-78.2161.1000111.7L22 L23 A29 G30L22-L26 HydrophobicContact CD2-CD1 3.87Å; L22-L26 HydrophobicContact CD2-CG 4.37Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 WeakPolarHBondContact O-CD1 3.37Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.13Å; L22-L26 PolarHBondContact O-N 2.82Å; L23-L26 PolarHBondContact O-N 3.49Å; L26-A29 PolarHBondContact O-N 2.97Å; L26-G30 PolarHBondContact O-N 2.91Å
27L69.1Low73.9Confident122 Ų12288.2 Ų88.264%0.63952%0.518SS*.Hα-helixtrans-64-41.7174.8-71.7165.7000111.8L23 A29 G30 A31L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.33Å; L23-L27 PolarHBondContact O-N 3.44Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 3.21Å; L27-G30 PolarHBondContact O-N 3.3Å; L27-A31 VanDerWaalsContact O-CB 3.26Å; L27-A31 WeakPolarHBondContact O-CB 3.36Å; L27-A31 PolarHBondContact O-N 3.06Å
28A62.5Low74.9Confident35 Ų3585.4 Ų85.429%0.28950%0.498SS..Hα-helixtrans-73.9-21179.500000114A24 A25 R32A24-A28 WeakPolarHBondContact O-CB 3.31Å; A24-A28 PolarHBondContact O-N 3.36Å; A25-A28 PolarHBondContact O-N 3.34Å; A28-R32 WeakPolarHBondContact O-CG 3.37Å; A28-R32 PolarHBondContact O-NH1 2.81Å
29A60Low75.8Confident61 Ų6184.6 Ų84.650%0.50449%0.491SS..Hα-helixtrans-79.6-46.5169.300000110.7A25 L26 L27 A31 R32 A33A25-A29 VanDerWaalsContact O-CB 3.24Å; A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 3.03Å; L26-A29 PolarHBondContact O-N 2.97Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 3.21Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 2.79Å; A29-R32 PolarHBondContact O-N 3.25Å; A29-R32 VanDerWaalsContact O-N 3.13Å; A29-A33 PolarHBondContact O-N 3.16Å
30G57.6Low76.5Confident48 Ų4879.6 Ų79.650%0.49547%0.468SS..Hα-helixtrans-59-42.2174.200000112.8L26 L27 R32 A33L26-G30 PolarHBondContact O-N 2.91Å; L27-G30 PolarHBondContact O-N 3.3Å; G30-R32 PolarHBondContact O-N 3.37Å; G30-A33 PolarHBondContact O-N 2.86Å
31A55.4Low77.2Confident85 Ų8573.7 Ų73.770%0.70244%0.44SS*.THydrogen-bonded Turntrans-71.7-11.5177.600000114.8L27 A29L27-A31 VanDerWaalsContact O-CB 3.26Å; L27-A31 WeakPolarHBondContact O-CB 3.36Å; L27-A31 PolarHBondContact O-N 3.06Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 2.79Å
32R52.8Low77.9Confident200 Ų20072 Ų7276%0.75543%0.431SS*.THydrogen-bonded Turntrans-98.1-8175.4-82-179.9176.875.40.5113.7A28 A29 G30A28-R32 WeakPolarHBondContact O-CG 3.37Å; A28-R32 PolarHBondContact O-NH1 2.81Å; A29-R32 PolarHBondContact O-N 3.25Å; A29-R32 VanDerWaalsContact O-N 3.13Å; G30-R32 PolarHBondContact O-N 3.37Å
33A56.4Low78.5Confident74 Ų7467.9 Ų67.961%0.61241%0.409SS*.SBendtrans-97.4-8.4-168.800000114.7A29 G30A29-A33 PolarHBondContact O-N 3.16Å; G30-A33 PolarHBondContact O-N 2.86Å
34S73.1Confident79Confident86 Ų8666.9 Ų66.960%0.60142%0.416SS*.  trans-117.7114.1177.3-60.90000110
35G90.6Very high79.8Confident19 Ų1971.4 Ų71.420%0.19643%0.428CS..  trans-75.8-158.1164.600000111.8Q53 C54 T64G35-Q53 VanDerWaalsContact C-NE2 3.28Å; G35-Q53 PolarHBondContact O-NE2 2.88Å; G35-C54 VanDerWaalsContact CA-O 3.24Å; G35-C54 WeakPolarHBondContact CA-O 3.05Å; G35-C54 PolarHBondContact N-O 3.39Å; G35-T64 CarbonylContact C-O 3.5Å; G35-T64 VanDerWaalsContact CA-O 3.29Å; G35-T64 WeakPolarHBondContact CA-O 3.32Å
36E95.4Very high80.6Confident46 Ų4670.9 Ų70.922%0.21543%0.428CS..  trans-73152.4175.7-63.1-173159.100112.2Q53 C54 T64 I65 C66 R82E36-Q53 PolarHBondContact O-NE2 3.33Å; E36-C54 VanDerWaalsContact O-CB 3.28Å; E36-C54 WeakPolarHBondContact O-CB 3.39Å; E36-C54 PolarHBondContact O-N 3.5Å; E36-T64 PolarHBondContact N-O 2.81Å; E36-I65 WeakPolarHBondContact OE2-CG2 3.29Å; E36-C66 HydrophobicContact CB-CB 4.13Å; E36-C66 PolarHBondContact OE2-N 2.92Å; E36-R82 IonicContact OE1-CZ 2.8Å; E36-R82 IonicContact OE1-NE 3.48Å; E36-R82 PolarHBondContact OE1-NE 3.04Å; E36-R82 IonicContact OE1-NH2 2.77Å; E36-R82 PolarHBondContact OE1-NH2 3.46Å; E36-R82 IonicContact OE2-NE 3.06Å; E36-R82 PolarHBondContact OE2-NE 2.88Å
37Y95.6Very high81.6Confident104 Ų10469.4 Ų69.441%0.40842%0.423SS..EExtended strand (participates in β ladder)trans-95.7119.9169.5-173-101.3000109H39 G51 F52 Q53 Q85Y37-H39 AromaticContact CD1-ND1 3.99Å; Y37-H39 PolarHBondContact O-N 2.85Å; Y37-G51 PolarHBondContact OH-O 2.84Å; Y37-F52 VanDerWaalsContact CD2-O 3.3Å; Y37-F52 WeakPolarHBondContact CD2-O 3.35Å; Y37-Q53 HydrophobicContact CD2-CB 4.14Å; Y37-Q85 PolarHBondContact O-NE2 2.84Å
38C96.4Very high82.8Confident0 Ų067.5 Ų67.50%041%0.408CS..EExtended strand (participates in β ladder)trans-78.1112.7165.8-730000108.3G51 F52 C66 R73C38-G51 CarbonylContact O-C 3.38Å; C38-G51 WeakPolarHBondContact O-CA 3.25Å; C38-F52 HydrophobicContact CB-CD1 4.23Å; C38-F52 HydrophobicContact CB-CD2 4Å; C38-F52 HydrophobicContact CB-CE1 3.83Å; C38-F52 HydrophobicContact CB-CE2 3.55Å; C38-F52 HydrophobicContact CB-CG 4.31Å; C38-F52 HydrophobicContact CB-CZ 3.46Å; C38-F52 VanDerWaalsContact CB-CZ 3.46Å; C38-F52 PolarHBondContact N-O 2.91Å; C38-F52 PolarHBondContact O-N 3.26Å; C38-F52 WeakPolarHBondContact SG-CE2 3.24Å; C38-F52 WeakPolarHBondContact SG-CZ 3.25Å; C38-C66 WeakPolarHBondContact CA-SG 3.29Å; C38-C66 HydrophobicContact CB-CB 4.23Å; C38-C66 WeakPolarHBondContact CB-SG 3.5Å; C38-C66 WeakPolarHBondContact SG-CA 3.23Å; C38-C66 WeakPolarHBondContact SG-CB 3.06Å; C38-C66 CovalentContact SG-SG 2.04Å; C38-C66 PolarHBondContact SG-SG 3.39Å; C38-R73 HydrophobicContact CB-CB 4.27Å
39H96Very high84.4Confident95 Ų9571.6 Ų71.644%0.4442%0.416SS..  trans-64.3153.1174.1-64.8-92.4000110.9Y37 R73Y37-H39 AromaticContact CD1-ND1 3.99Å; Y37-H39 PolarHBondContact O-N 2.85Å; H39-R73 PolarHBondContact O-NH1 2.88Å
40G95.6Very high86Confident12 Ų1275.2 Ų75.212%0.12443%0.425CS..  trans-60.915417400000111.9R49 D91G40-R49 CarbonylContact C-O 3.51Å; G40-R49 WeakPolarHBondContact CA-O 3.15Å; G40-D91 WeakPolarHBondContact O-CA 3.32Å
41W96.3Very high87.8Confident14 Ų1473.8 Ų73.85%0.05341%0.41CS..EExtended strand (participates in β ladder)trans-154.1157.5-174.97598.7000112.6R49 F52 A71 R73 N90W41-R49 HydrophobicContact CD2-CB 3.64Å; W41-R49 HydrophobicContact CD2-CG 4.1Å; W41-R49 HydrophobicContact CE3-CB 3.69Å; W41-R49 HydrophobicContact CG-CB 4.32Å; W41-R49 HydrophobicContact CH2-CB 3.76Å; W41-R49 HydrophobicContact CH2-CG 4.27Å; W41-R49 HydrophobicContact CZ2-CB 3.71Å; W41-R49 HydrophobicContact CZ2-CG 3.74Å; W41-R49 HydrophobicContact CZ3-CB 3.74Å; W41-R49 PolarHBondContact N-O 2.86Å; W41-R49 WeakPolarHBondContact O-CB 3.36Å; W41-R49 PolarHBondContact O-N 3.22Å; W41-F52 AromaticContact CH2-CE1 3.75Å; W41-F52 HydrophobicContact CH2-CE1 3.75Å; W41-F52 HydrophobicContact CZ3-CD1 4.29Å; W41-F52 AromaticContact CZ3-CE1 3.64Å; W41-F52 HydrophobicContact CZ3-CE1 3.64Å; W41-A71 PolarHBondContact NE1-O 2.98Å; W41-R73 HydrophobicContact CD2-CB 4.33Å; W41-R73 HydrophobicContact CD2-CG 3.78Å; W41-R73 HydrophobicContact CE3-CB 4.09Å; W41-R73 HydrophobicContact CE3-CG 3.86Å; W41-R73 HydrophobicContact CG-CG 4.29Å; W41-R73 HydrophobicContact CH2-CB 3.89Å; W41-R73 HydrophobicContact CH2-CG 4.4Å; W41-R73 HydrophobicContact CZ2-CB 4.12Å; W41-R73 HydrophobicContact CZ2-CG 4.31Å; W41-R73 HydrophobicContact CZ3-CB 3.88Å; W41-R73 HydrophobicContact CZ3-CG 4.19Å; W41-N90 CarbonylContact C-O 3.55Å; W41-N90 VanDerWaalsContact CA-O 3.32Å; W41-N90 WeakPolarHBondContact CA-O 3.41Å
42L95.9Very high89.7Confident77 Ų7771.3 Ų71.340%0.40338%0.384SS..EExtended strand (participates in β ladder)trans-84.4119166.7-153.377.7000109.6G46 W48 N90L42-G46 WeakPolarHBondContact CD1-O 3.02Å; L42-W48 HydrophobicContact CD1-CB 4.4Å; L42-W48 HydrophobicContact CD1-CE3 4.31Å; L42-N90 HydrophobicContact CB-CB 4.34Å; L42-N90 PolarHBondContact N-O 3.43Å; L42-N90 PolarHBondContact O-ND2 2.97Å
43D94.4Very high91.8Very high19 Ų1965.6 Ų65.610%0.10237%0.366CS..  trans-73175.4178.569.819.6000112.9Q45 G46 V47 R49D43-Q45 VanDerWaalsContact CG-OE1 3.28Å; D43-Q45 PolarHBondContact O-N 3.36Å; D43-Q45 WeakPolarHBondContact OD1-CA 3.27Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.4Å; D43-Q45 PolarHBondContact OD1-N 2.89Å; D43-Q45 PolarHBondContact OD1-OE1 2.84Å; D43-G46 PolarHBondContact O-N 3.43Å; D43-G46 PolarHBondContact OD1-N 3.37Å; D43-V47 PolarHBondContact N-O 2.86Å; D43-V47 WeakPolarHBondContact OD1-CB 3.18Å; D43-V47 PolarHBondContact OD1-N 3.35Å; D43-R49 HydrophobicContact CB-CG 3.93Å; D43-R49 WeakPolarHBondContact OD2-CD 3.24Å; D43-R49 IonicContact OD2-NH1 3.56Å
44A92.4Very high93.6Very high83 Ų8362.1 Ų62.169%0.68634%0.337SS*.THydrogen-bonded Turntrans-63.8-12.2-178.400000113.7A71A44-A71 HydrophobicContact CB-CB 4.31Å
45Q94.2Very high94.7Very high151 Ų15160.1 Ų60.171%0.70632%0.322SS*.THydrogen-bonded Turntrans-96.9-0.2177-62.775.414.300112.1D43 V47D43-Q45 VanDerWaalsContact CG-OE1 3.28Å; D43-Q45 PolarHBondContact O-N 3.36Å; D43-Q45 WeakPolarHBondContact OD1-CA 3.27Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.4Å; D43-Q45 PolarHBondContact OD1-N 2.89Å; D43-Q45 PolarHBondContact OD1-OE1 2.84Å; Q45-V47 VanDerWaalsContact C-N 3.32Å; Q45-V47 HydrophobicContact CB-CG2 4.29Å
46G90.6Very high94.8Very high47 Ų4762.9 Ų62.949%0.48533%0.33SS..SBendtrans78.414.1-175.600000113.6L42 D43L42-G46 WeakPolarHBondContact CD1-O 3.02Å; D43-G46 PolarHBondContact O-N 3.43Å; D43-G46 PolarHBondContact OD1-N 3.37Å
47V93.9Very high94.5Very high79 Ų7969.5 Ų69.548%0.47935%0.353SS..  trans-93.1132.5179.5-178.20000109.6D43 Q45 R49D43-V47 PolarHBondContact N-O 2.86Å; D43-V47 WeakPolarHBondContact OD1-CB 3.18Å; D43-V47 PolarHBondContact OD1-N 3.35Å; Q45-V47 VanDerWaalsContact C-N 3.32Å; Q45-V47 HydrophobicContact CB-CG2 4.29Å; V47-R49 PolarHBondContact O-N 3.42Å
48W94.4Very high94.2Very high83 Ų8372.4 Ų72.431%0.31437%0.368SS..EExtended strand (participates in β ladder)trans-72.6125.2176.8-178.8-102.9000111.4L42 D91 Q93L42-W48 HydrophobicContact CD1-CB 4.4Å; L42-W48 HydrophobicContact CD1-CE3 4.31Å; W48-D91 VanDerWaalsContact CH2-O 3.31Å; W48-D91 WeakPolarHBondContact CH2-O 3.3Å; W48-Q93 HydrophobicContact CD2-CB 4.49Å; W48-Q93 HydrophobicContact CD2-CG 4.15Å; W48-Q93 HydrophobicContact CE3-CB 4.35Å; W48-Q93 HydrophobicContact CE3-CG 4.29Å; W48-Q93 HydrophobicContact CH2-CB 3.69Å; W48-Q93 HydrophobicContact CH2-CG 4.38Å; W48-Q93 HydrophobicContact CZ2-CB 3.83Å; W48-Q93 HydrophobicContact CZ2-CG 4.23Å; W48-Q93 HydrophobicContact CZ3-CB 3.96Å; W48-Q93 HydrophobicContact CZ3-CG 4.41Å
49R95.3Very high94Very high120 Ų12075.6 Ų75.645%0.45339%0.385SS..EExtended strand (participates in β ladder)trans-106.4128176.4-52-53.3-65-131.50.8109G40 W41 D43 V47G40-R49 CarbonylContact C-O 3.51Å; G40-R49 WeakPolarHBondContact CA-O 3.15Å; W41-R49 HydrophobicContact CD2-CB 3.64Å; W41-R49 HydrophobicContact CD2-CG 4.1Å; W41-R49 HydrophobicContact CE3-CB 3.69Å; W41-R49 HydrophobicContact CG-CB 4.32Å; W41-R49 HydrophobicContact CH2-CB 3.76Å; W41-R49 HydrophobicContact CH2-CG 4.27Å; W41-R49 HydrophobicContact CZ2-CB 3.71Å; W41-R49 HydrophobicContact CZ2-CG 3.74Å; W41-R49 HydrophobicContact CZ3-CB 3.74Å; W41-R49 PolarHBondContact N-O 2.86Å; W41-R49 WeakPolarHBondContact O-CB 3.36Å; W41-R49 PolarHBondContact O-N 3.22Å; D43-R49 HydrophobicContact CB-CG 3.93Å; D43-R49 WeakPolarHBondContact OD2-CD 3.24Å; D43-R49 IonicContact OD2-NH1 3.56Å; V47-R49 PolarHBondContact O-N 3.42Å
50I94.2Very high93.7Very high137 Ų13772.9 Ų72.970%0.70338%0.382SS*.  trans-69.4147.6174.161.3172.2000110.6
51G94.9Very high93.4Very high18 Ų1875.7 Ų75.719%0.18641%0.411CS..  trans-73.6158.4172.800000112.6Y37 C38Y37-G51 PolarHBondContact OH-O 2.84Å; C38-G51 CarbonylContact O-C 3.38Å; C38-G51 WeakPolarHBondContact O-CA 3.25Å
52F95.3Very high93.3Very high33 Ų3379.7 Ų79.715%0.14543%0.434CS..EExtended strand (participates in β ladder)trans-144.6156-177.654.8-92.3000111.6Y37 C38 W41 E56 R73 C75Y37-F52 VanDerWaalsContact CD2-O 3.3Å; Y37-F52 WeakPolarHBondContact CD2-O 3.35Å; C38-F52 HydrophobicContact CB-CD1 4.23Å; C38-F52 HydrophobicContact CB-CD2 4Å; C38-F52 HydrophobicContact CB-CE1 3.83Å; C38-F52 HydrophobicContact CB-CE2 3.55Å; C38-F52 HydrophobicContact CB-CG 4.31Å; C38-F52 HydrophobicContact CB-CZ 3.46Å; C38-F52 VanDerWaalsContact CB-CZ 3.46Å; C38-F52 PolarHBondContact N-O 2.91Å; C38-F52 PolarHBondContact O-N 3.26Å; C38-F52 WeakPolarHBondContact SG-CE2 3.24Å; C38-F52 WeakPolarHBondContact SG-CZ 3.25Å; W41-F52 AromaticContact CH2-CE1 3.75Å; W41-F52 HydrophobicContact CH2-CE1 3.75Å; W41-F52 HydrophobicContact CZ3-CD1 4.29Å; W41-F52 AromaticContact CZ3-CE1 3.64Å; W41-F52 HydrophobicContact CZ3-CE1 3.64Å; F52-E56 HydrophobicContact CB-CG 4.4Å; F52-E56 HydrophobicContact CD2-CG 4.09Å; F52-E56 HydrophobicContact CG-CG 4.44Å; F52-R73 HydrophobicContact CZ-CB 4.36Å; F52-C75 WeakPolarHBondContact CE2-SG 3.2Å
53Q96.4Very high93.3Very high81 Ų8176.4 Ų76.438%0.37942%0.418SS..EExtended strand (participates in β ladder)trans-95.2125.1179.5177.16061.800109.3G35 E36 Y37 P55G35-Q53 VanDerWaalsContact C-NE2 3.28Å; G35-Q53 PolarHBondContact O-NE2 2.88Å; E36-Q53 PolarHBondContact O-NE2 3.33Å; Y37-Q53 HydrophobicContact CD2-CB 4.14Å; Q53-P55 CarbonylContact O-C 3.59Å
54C95.9Very high93.4Very high1 Ų178.1 Ų78.11%0.00743%0.429CS..SBendtrans-83.6147.4175-67.70000112.2G35 E36 A63 C75G35-C54 VanDerWaalsContact CA-O 3.24Å; G35-C54 WeakPolarHBondContact CA-O 3.05Å; G35-C54 PolarHBondContact N-O 3.39Å; E36-C54 VanDerWaalsContact O-CB 3.28Å; E36-C54 WeakPolarHBondContact O-CB 3.39Å; E36-C54 PolarHBondContact O-N 3.5Å; C54-A63 WeakPolarHBondContact CB-O 3.32Å; C54-C75 WeakPolarHBondContact CA-SG 3.21Å; C54-C75 HydrophobicContact CB-CB 3.85Å; C54-C75 WeakPolarHBondContact CB-SG 3.42Å; C54-C75 WeakPolarHBondContact SG-CA 3.28Å; C54-C75 WeakPolarHBondContact SG-CB 3.33Å; C54-C75 CovalentContact SG-SG 2.04Å; C54-C75 PolarHBondContact SG-SG 3.43Å
55P95Very high93.6Very high43 Ų4375.3 Ų75.328%0.27940%0.402SS..SBendcis-70.1148-14.530-33.8000111.8Q53 D59 G60 A63Q53-P55 CarbonylContact O-C 3.59Å; P55-D59 HydrophobicContact CB-CB 3.99Å; P55-G60 WeakPolarHBondContact CB-O 3.23Å; P55-A63 WeakPolarHBondContact CA-O 3.31Å; P55-A63 HydrophobicContact CB-CB 4.38Å; P55-A63 WeakPolarHBondContact CB-O 3.5Å
56E92.2Very high93.8Very high77 Ų7768.1 Ų68.136%0.3637%0.369SS..PPolyproline II helixtrans-70.4166.3168.1-76.2-156.66100111.4F52 F58 D59F52-E56 HydrophobicContact CB-CG 4.4Å; F52-E56 HydrophobicContact CD2-CG 4.09Å; F52-E56 HydrophobicContact CG-CG 4.44Å; E56-F58 PolarHBondContact O-N 3.39Å; E56-D59 WeakPolarHBondContact CA-OD2 3.25Å; E56-D59 VanDerWaalsContact CB-OD2 3.29Å; E56-D59 WeakPolarHBondContact CB-OD2 3.32Å; E56-D59 PolarHBondContact N-OD2 3.37Å; E56-D59 PolarHBondContact O-N 2.92Å
57R88.9Confident94.1Very high185 Ų18565.9 Ų65.970%0.69835%0.346SS*.THydrogen-bonded Turntrans-53.3-15.8-179.475.8-166.3179.6-73.63116.4
58F90.3Very high94.2Very high166 Ų16663.7 Ų63.773%0.72834%0.339SS*.THydrogen-bonded Turntrans-121.31.3-176.8-64.6-37.3000113.3E56E56-F58 PolarHBondContact O-N 3.39Å
59D91.5Very high94.3Very high67 Ų6762.7 Ų62.736%0.35834%0.344SS..SBendtrans-85.4168.5177.1-60.5-34000111.6P55 E56 A63 C75P55-D59 HydrophobicContact CB-CB 3.99Å; E56-D59 WeakPolarHBondContact CA-OD2 3.25Å; E56-D59 VanDerWaalsContact CB-OD2 3.29Å; E56-D59 WeakPolarHBondContact CB-OD2 3.32Å; E56-D59 PolarHBondContact N-OD2 3.37Å; E56-D59 PolarHBondContact O-N 2.92Å; D59-A63 HydrophobicContact CB-CB 3.88Å; D59-C75 VanDerWaalsContact OD2-CB 3.23Å; D59-C75 WeakPolarHBondContact OD2-CB 3.24Å; D59-C75 PolarHBondContact OD2-SG 3.13Å
60G89.9Confident94.4Very high37 Ų3759 Ų5938%0.38134%0.336SS..  trans-63.5144.9166.300000111.2P55 D62 A63P55-G60 WeakPolarHBondContact CB-O 3.23Å; G60-D62 PolarHBondContact O-N 3.42Å; G60-D62 VanDerWaalsContact O-N 3.08Å; G60-A63 VanDerWaalsContact O-CB 3.23Å; G60-A63 WeakPolarHBondContact O-CB 3.44Å; G60-A63 PolarHBondContact O-N 3.38Å
61G90.6Very high94.5Very high71 Ų7154.1 Ų54.173%0.73232%0.317SS*.THydrogen-bonded Turntrans-64.3-12.7179.200000114.6
62D93.6Very high94.5Very high99 Ų9958.1 Ų58.153%0.52933%0.333SS..THydrogen-bonded Turntrans-89.6-12.4172.564.5-51.1000113.6G60 T64 S77G60-D62 PolarHBondContact O-N 3.42Å; G60-D62 VanDerWaalsContact O-N 3.08Å; D62-T64 PolarHBondContact O-N 2.83Å; D62-T64 PolarHBondContact O-OG1 3.49Å; D62-S77 VanDerWaalsContact O-CB 3.25Å; D62-S77 WeakPolarHBondContact O-CB 3.26Å; D62-S77 WeakPolarHBondContact OD2-CB 3.34Å; D62-S77 PolarHBondContact OD2-OG 3.41Å
63A95.6Very high94.6Very high8 Ų857 Ų577%0.06633%0.328CS..  trans-74.261.1-179.300000111.8C54 P55 D59 G60 C75 C76C54-A63 WeakPolarHBondContact CB-O 3.32Å; P55-A63 WeakPolarHBondContact CA-O 3.31Å; P55-A63 HydrophobicContact CB-CB 4.38Å; P55-A63 WeakPolarHBondContact CB-O 3.5Å; D59-A63 HydrophobicContact CB-CB 3.88Å; G60-A63 VanDerWaalsContact O-CB 3.23Å; G60-A63 WeakPolarHBondContact O-CB 3.44Å; G60-A63 PolarHBondContact O-N 3.38Å; A63-C75 HydrophobicContact CB-CB 4.21Å; A63-C76 CarbonylContact C-O 3.28Å; A63-C76 VanDerWaalsContact C-O 3.28Å; A63-C76 VanDerWaalsContact CA-O 3.32Å; A63-C76 WeakPolarHBondContact CA-O 3.44Å
64T96.4Very high94.6Very high54 Ų5458.2 Ų58.233%0.33133%0.33SS..  trans-95.22.1-169.852.30000113.6G35 E36 D62 C76G35-T64 CarbonylContact C-O 3.5Å; G35-T64 VanDerWaalsContact CA-O 3.29Å; G35-T64 WeakPolarHBondContact CA-O 3.32Å; E36-T64 PolarHBondContact N-O 2.81Å; D62-T64 PolarHBondContact O-N 2.83Å; D62-T64 PolarHBondContact O-OG1 3.49Å; T64-C76 PolarHBondContact N-O 2.83Å
65I96.8Very high94.7Very high25 Ų2558.9 Ų58.913%0.12834%0.335CS..EExtended strand (participates in β ladder)trans-114.6139.9-171.4-52.2178.7000109.5E36 C67 C75 C76 A79 R82E36-I65 WeakPolarHBondContact OE2-CG2 3.29Å; I65-C67 PolarHBondContact O-SG 3.45Å; I65-C67 VanDerWaalsContact O-SG 3.35Å; I65-C75 CarbonylContact O-C 3.41Å; I65-C75 WeakPolarHBondContact O-CA 3.29Å; I65-C76 VanDerWaalsContact CB-O 3.29Å; I65-C76 WeakPolarHBondContact CB-O 3.48Å; I65-C76 PolarHBondContact N-O 2.92Å; I65-C76 PolarHBondContact O-N 3.23Å; I65-A79 HydrophobicContact CD1-CB 4.32Å; I65-R82 HydrophobicContact CG2-CB 3.66Å; I65-R82 HydrophobicContact CG2-CG 3.47Å; I65-R82 VanDerWaalsContact CG2-CG 3.47Å
66C97.7Very high94.8Very high0 Ų057.8 Ų57.80%033%0.327CS..EExtended strand (participates in β ladder)trans-82.3118.2171.3-1710000109.8E36 C38 R82 L83 Q85E36-C66 HydrophobicContact CB-CB 4.13Å; E36-C66 PolarHBondContact OE2-N 2.92Å; C38-C66 WeakPolarHBondContact CA-SG 3.29Å; C38-C66 HydrophobicContact CB-CB 4.23Å; C38-C66 WeakPolarHBondContact CB-SG 3.5Å; C38-C66 WeakPolarHBondContact SG-CA 3.23Å; C38-C66 WeakPolarHBondContact SG-CB 3.06Å; C38-C66 CovalentContact SG-SG 2.04Å; C38-C66 PolarHBondContact SG-SG 3.39Å; C66-R82 WeakPolarHBondContact O-CA 3.09Å; C66-L83 PolarHBondContact O-N 3.03Å; C66-Q85 VanDerWaalsContact SG-CD 3.56Å
67C97.9Very high95Very high0 Ų057.3 Ų57.30%033%0.333CS..EExtended strand (participates in β ladder)trans-124.2161.6-168.2-54.70000112.6I65 R73 Y74 C76 A81I65-C67 PolarHBondContact O-SG 3.45Å; I65-C67 VanDerWaalsContact O-SG 3.35Å; C67-R73 WeakPolarHBondContact O-CA 3.43Å; C67-Y74 HydrophobicContact CB-CD2 4.28Å; C67-Y74 HydrophobicContact CB-CE1 4.3Å; C67-Y74 HydrophobicContact CB-CE2 3.91Å; C67-Y74 PolarHBondContact N-O 3.45Å; C67-Y74 WeakPolarHBondContact O-CD1 3.33Å; C67-Y74 PolarHBondContact O-N 2.96Å; C67-C76 HydrophobicContact CB-CB 3.73Å; C67-C76 WeakPolarHBondContact CB-SG 3.32Å; C67-C76 WeakPolarHBondContact SG-CB 3.32Å; C67-C76 CovalentContact SG-SG 2.03Å; C67-C76 PolarHBondContact SG-SG 3.21Å; C67-A81 CarbonylContact C-O 3.57Å; C67-A81 WeakPolarHBondContact CA-O 3.17Å; C67-A81 HydrophobicContact CB-CB 4.23Å; C67-A81 VanDerWaalsContact CB-O 3.26Å; C67-A81 WeakPolarHBondContact CB-O 3.05Å
68G96.5Very high95.3Very high33 Ų3350.5 Ų50.534%0.3431%0.313SS..EExtended strand (participates in β ladder)trans112.2-129.5172.700000114.6Y74 A81G68-Y74 VanDerWaalsContact CA-CE1 3.46Å; G68-A81 PolarHBondContact N-O 2.89Å
69S96.8Very high95.5Very high61 Ų6145.7 Ų45.743%0.42730%0.304SS..EExtended strand (participates in β ladder)trans-134.9165.7-179.372.70000110.9A71 L72 L83S69-A71 PolarHBondContact O-N 3.25Å; S69-L72 PolarHBondContact N-O 2.95Å; S69-L72 CarbonylContact O-C 3.21Å; S69-L72 PolarHBondContact O-N 3.45Å; S69-L72 PolarHBondContact OG-N 3.41Å; S69-L83 WeakPolarHBondContact O-CD2 3.46Å
70C96.2Very high95.7Very high42 Ų4250.4 Ų50.428%0.28432%0.324SS..THydrogen-bonded Turntrans-50.9-35.7178.9-62.30000113.3R73 C88 N90C70-R73 PolarHBondContact O-NE 2.91Å; C70-C88 WeakPolarHBondContact CA-SG 3.45Å; C70-C88 HydrophobicContact CB-CB 3.68Å; C70-C88 WeakPolarHBondContact CB-SG 3.46Å; C70-C88 WeakPolarHBondContact SG-CA 3.37Å; C70-C88 WeakPolarHBondContact SG-CB 3.46Å; C70-C88 CovalentContact SG-SG 2.04Å; C70-C88 PolarHBondContact SG-SG 2.9Å; C70-N90 VanDerWaalsContact C-ND2 3.31Å; C70-N90 WeakPolarHBondContact CB-OD1 3Å; C70-N90 PolarHBondContact O-ND2 3.27Å; C70-N90 PolarHBondContact O-OD1 2.68Å
71A95.6Very high96Very high35 Ų3550.2 Ų50.229%0.28932%0.319SS..THydrogen-bonded Turntrans-89.7-7.6-179.800000115.1W41 A44 S69W41-A71 PolarHBondContact NE1-O 2.98Å; A44-A71 HydrophobicContact CB-CB 4.31Å; S69-A71 PolarHBondContact O-N 3.25Å
72L95.8Very high96.4Very high103 Ų10353.9 Ų53.954%0.53931%0.311SS..EExtended strand (participates in β ladder)trans-151.9105.2178.7-168.9163.5000109.8S69 Y74S69-L72 PolarHBondContact N-O 2.95Å; S69-L72 CarbonylContact O-C 3.21Å; S69-L72 PolarHBondContact O-N 3.45Å; S69-L72 PolarHBondContact OG-N 3.41Å; L72-Y74 HydrophobicContact CD2-CD1 3.66Å; L72-Y74 HydrophobicContact CD2-CE1 4.18Å
73R97.1Very high96.6Very high10 Ų1050.1 Ų50.14%0.03829%0.29CS..EExtended strand (participates in β ladder)trans-109.8140.2-178.8-46.5-172.3-172.1-168.75.1110.3C38 H39 W41 F52 C67 C70 L83 N90C38-R73 HydrophobicContact CB-CB 4.27Å; H39-R73 PolarHBondContact O-NH1 2.88Å; W41-R73 HydrophobicContact CD2-CB 4.33Å; W41-R73 HydrophobicContact CD2-CG 3.78Å; W41-R73 HydrophobicContact CE3-CB 4.09Å; W41-R73 HydrophobicContact CE3-CG 3.86Å; W41-R73 HydrophobicContact CG-CG 4.29Å; W41-R73 HydrophobicContact CH2-CB 3.89Å; W41-R73 HydrophobicContact CH2-CG 4.4Å; W41-R73 HydrophobicContact CZ2-CB 4.12Å; W41-R73 HydrophobicContact CZ2-CG 4.31Å; W41-R73 HydrophobicContact CZ3-CB 3.88Å; W41-R73 HydrophobicContact CZ3-CG 4.19Å; F52-R73 HydrophobicContact CZ-CB 4.36Å; C67-R73 WeakPolarHBondContact O-CA 3.43Å; C70-R73 PolarHBondContact O-NE 2.91Å; R73-L83 HydrophobicContact CG-CD2 3.68Å; R73-N90 PolarHBondContact NH2-OD1 3.27Å
74Y96.6Very high96.6Very high106 Ų10655.8 Ų55.842%0.41632%0.32SS..EExtended strand (participates in β ladder)trans-152.7158.3177.862-81000110.6C67 G68 L72 C76C67-Y74 HydrophobicContact CB-CD2 4.28Å; C67-Y74 HydrophobicContact CB-CE1 4.3Å; C67-Y74 HydrophobicContact CB-CE2 3.91Å; C67-Y74 PolarHBondContact N-O 3.45Å; C67-Y74 WeakPolarHBondContact O-CD1 3.33Å; C67-Y74 PolarHBondContact O-N 2.96Å; G68-Y74 VanDerWaalsContact CA-CE1 3.46Å; L72-Y74 HydrophobicContact CD2-CD1 3.66Å; L72-Y74 HydrophobicContact CD2-CE1 4.18Å; Y74-C76 HydrophobicContact CD2-CB 4.22Å; Y74-C76 HydrophobicContact CE2-CB 3.87Å
75C97.3Very high96.6Very high15 Ų1554.6 Ų54.610%0.10131%0.31CS..EExtended strand (participates in β ladder)trans-77.8136.8174-60.20000111.4F52 C54 D59 A63 I65F52-C75 WeakPolarHBondContact CE2-SG 3.2Å; C54-C75 WeakPolarHBondContact CA-SG 3.21Å; C54-C75 HydrophobicContact CB-CB 3.85Å; C54-C75 WeakPolarHBondContact CB-SG 3.42Å; C54-C75 WeakPolarHBondContact SG-CA 3.28Å; C54-C75 WeakPolarHBondContact SG-CB 3.33Å; C54-C75 CovalentContact SG-SG 2.04Å; C54-C75 PolarHBondContact SG-SG 3.43Å; D59-C75 VanDerWaalsContact OD2-CB 3.23Å; D59-C75 WeakPolarHBondContact OD2-CB 3.24Å; D59-C75 PolarHBondContact OD2-SG 3.13Å; A63-C75 HydrophobicContact CB-CB 4.21Å; I65-C75 CarbonylContact O-C 3.41Å; I65-C75 WeakPolarHBondContact O-CA 3.29Å
76C97.1Very high96.4Very high19 Ų1957 Ų5713%0.12834%0.342CS..EExtended strand (participates in β ladder)trans-147.2174.3171.590.30000112.1A63 T64 I65 C67 Y74 S78A63-C76 CarbonylContact C-O 3.28Å; A63-C76 VanDerWaalsContact C-O 3.28Å; A63-C76 VanDerWaalsContact CA-O 3.32Å; A63-C76 WeakPolarHBondContact CA-O 3.44Å; T64-C76 PolarHBondContact N-O 2.83Å; I65-C76 VanDerWaalsContact CB-O 3.29Å; I65-C76 WeakPolarHBondContact CB-O 3.48Å; I65-C76 PolarHBondContact N-O 2.92Å; I65-C76 PolarHBondContact O-N 3.23Å; C67-C76 HydrophobicContact CB-CB 3.73Å; C67-C76 WeakPolarHBondContact CB-SG 3.32Å; C67-C76 WeakPolarHBondContact SG-CB 3.32Å; C67-C76 CovalentContact SG-SG 2.03Å; C67-C76 PolarHBondContact SG-SG 3.21Å; Y74-C76 HydrophobicContact CD2-CB 4.22Å; Y74-C76 HydrophobicContact CE2-CB 3.87Å; C76-S78 PolarHBondContact SG-O 2.75Å; C76-S78 VanDerWaalsContact SG-O 3.35Å
77S96.3Very high96.3Very high67 Ų6759.7 Ų59.747%0.46937%0.369SS..SBendtrans-108.8-1.617853.70000114.4D62D62-S77 VanDerWaalsContact O-CB 3.25Å; D62-S77 WeakPolarHBondContact O-CB 3.26Å; D62-S77 WeakPolarHBondContact OD2-CB 3.34Å; D62-S77 PolarHBondContact OD2-OG 3.41Å
78S95.9Very high96.2Very high42 Ų4260 Ų6029%0.29437%0.371SS..  trans-89.2126.2175.6162.90000110.9C76 E80 A81C76-S78 PolarHBondContact SG-O 2.75Å; C76-S78 VanDerWaalsContact SG-O 3.35Å; S78-E80 VanDerWaalsContact C-N 3.26Å; S78-E80 WeakPolarHBondContact CB-OE2 3.17Å; S78-E80 PolarHBondContact OG-N 3.08Å; S78-E80 PolarHBondContact OG-OE2 3.32Å; S78-A81 PolarHBondContact OG-N 3.3Å
79A95.3Very high96Very high65 Ų6565.6 Ų65.654%0.53739%0.394SS..SBendtrans-73.9-21.5175.300000112.3I65 R82I65-A79 HydrophobicContact CD1-CB 4.32Å; A79-R82 WeakPolarHBondContact O-CB 3.5Å; A79-R82 PolarHBondContact O-N 2.95Å
80E95.6Very high95.8Very high167 Ų16764.4 Ų64.478%0.7838%0.382SS*.THydrogen-bonded Turntrans-73.7-28.7179.1-55.872.2-158.800112.2S78S78-E80 VanDerWaalsContact C-N 3.26Å; S78-E80 WeakPolarHBondContact CB-OE2 3.17Å; S78-E80 PolarHBondContact OG-N 3.08Å; S78-E80 PolarHBondContact OG-OE2 3.32Å
81A96.4Very high95.3Very high33 Ų3365.9 Ų65.927%0.27339%0.387SS..THydrogen-bonded Turntrans-90.51175.200000113.6C67 G68 S78 L83C67-A81 CarbonylContact C-O 3.57Å; C67-A81 WeakPolarHBondContact CA-O 3.17Å; C67-A81 HydrophobicContact CB-CB 4.23Å; C67-A81 VanDerWaalsContact CB-O 3.26Å; C67-A81 WeakPolarHBondContact CB-O 3.05Å; G68-A81 PolarHBondContact N-O 2.89Å; S78-A81 PolarHBondContact OG-N 3.3Å; A81-L83 PolarHBondContact O-N 3.43Å
82R97.8Very high94.6Very high148 Ų14873.5 Ų73.556%0.55841%0.409SS*.BIsolated β-bridgetrans-61.4130.7-177.9-174.4171.9-174.9-136.74.3111.2E36 I65 C66 A79E36-R82 IonicContact OE1-CZ 2.8Å; E36-R82 IonicContact OE1-NE 3.48Å; E36-R82 PolarHBondContact OE1-NE 3.04Å; E36-R82 IonicContact OE1-NH2 2.77Å; E36-R82 PolarHBondContact OE1-NH2 3.46Å; E36-R82 IonicContact OE2-NE 3.06Å; E36-R82 PolarHBondContact OE2-NE 2.88Å; I65-R82 HydrophobicContact CG2-CB 3.66Å; I65-R82 HydrophobicContact CG2-CG 3.47Å; I65-R82 VanDerWaalsContact CG2-CG 3.47Å; C66-R82 WeakPolarHBondContact O-CA 3.09Å; A79-R82 WeakPolarHBondContact O-CB 3.5Å; A79-R82 PolarHBondContact O-N 2.95Å
83L97.4Very high93.5Very high19 Ų1973.8 Ų73.810%0.09941%0.407CS..  trans-86.6122.5177.117759.4000110.2C66 S69 R73 A81 Q85C66-L83 PolarHBondContact O-N 3.03Å; S69-L83 WeakPolarHBondContact O-CD2 3.46Å; R73-L83 HydrophobicContact CG-CD2 3.68Å; A81-L83 PolarHBondContact O-N 3.43Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 HydrophobicContact CB-CG 4.44Å; L83-Q85 HydrophobicContact CD2-CG 4.05Å; L83-Q85 HydrophobicContact CG-CG 3.98Å; L83-Q85 PolarHBondContact O-N 3.2Å
84D96.7Very high91.7Very high127 Ų12781.9 Ų81.968%0.67945%0.446SS*.  trans-73.888.3164.1-174.14.4000109.9G86 G87D84-G86 PolarHBondContact O-N 2.88Å; D84-G86 PolarHBondContact OD1-N 3.5Å; D84-G87 PolarHBondContact O-N 3.35Å
85Q95.2Very high89.5Confident29 Ų2980 Ų8014%0.13646%0.459CS..G310 helixtrans-63.7-20.4-178.1-62.1-17485.800113.1Y37 C66 L83 G87 C88Y37-Q85 PolarHBondContact O-NE2 2.84Å; C66-Q85 VanDerWaalsContact SG-CD 3.56Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-Q85 HydrophobicContact CB-CG 4.44Å; L83-Q85 HydrophobicContact CD2-CG 4.05Å; L83-Q85 HydrophobicContact CG-CG 3.98Å; L83-Q85 PolarHBondContact O-N 3.2Å; Q85-G87 PolarHBondContact O-N 3.39Å; Q85-C88 PolarHBondContact O-N 3.25Å
86G94.3Very high86.9Confident77 Ų7783.4 Ų83.479%0.79449%0.488SS*.G310 helixtrans-72.2-16.1177.700000113.8D84D84-G86 PolarHBondContact O-N 2.88Å; D84-G86 PolarHBondContact OD1-N 3.5Å
87G94.9Very high84.2Confident56 Ų5685.6 Ų85.658%0.57751%0.514SS*.G310 helixtrans-93.711.9174.400000114.7D84 Q85D84-G87 PolarHBondContact O-N 3.35Å; Q85-G87 PolarHBondContact O-N 3.39Å
88C94.7Very high81.7Confident6 Ų691.2 Ų91.24%0.04153%0.532CS..  trans-108.8115-175.4-64.30000112.6C70 Q85 N90C70-C88 WeakPolarHBondContact CA-SG 3.45Å; C70-C88 HydrophobicContact CB-CB 3.68Å; C70-C88 WeakPolarHBondContact CB-SG 3.46Å; C70-C88 WeakPolarHBondContact SG-CA 3.37Å; C70-C88 WeakPolarHBondContact SG-CB 3.46Å; C70-C88 CovalentContact SG-SG 2.04Å; C70-C88 PolarHBondContact SG-SG 2.9Å; Q85-C88 PolarHBondContact O-N 3.25Å; C88-N90 VanDerWaalsContact C-N 3.3Å; C88-N90 PolarHBondContact O-N 3.41Å
89D93.9Very high79.1Confident151 Ų15195.9 Ų95.981%0.80756%0.561SS**THydrogen-bonded Turntrans-79.7-5.2178.3-55.5-66.7000114.8
90N92.4Very high76.7Confident35 Ų3595.9 Ų95.919%0.18757%0.568CS.*THydrogen-bonded Turntrans-95.411.6-175.776.1-31.7000113.7W41 L42 C70 R73 C88W41-N90 CarbonylContact C-O 3.55Å; W41-N90 VanDerWaalsContact CA-O 3.32Å; W41-N90 WeakPolarHBondContact CA-O 3.41Å; L42-N90 HydrophobicContact CB-CB 4.34Å; L42-N90 PolarHBondContact N-O 3.43Å; L42-N90 PolarHBondContact O-ND2 2.97Å; C70-N90 VanDerWaalsContact C-ND2 3.31Å; C70-N90 WeakPolarHBondContact CB-OD1 3Å; C70-N90 PolarHBondContact O-ND2 3.27Å; C70-N90 PolarHBondContact O-OD1 2.68Å; R73-N90 PolarHBondContact NH2-OD1 3.27Å; C88-N90 VanDerWaalsContact C-N 3.3Å; C88-N90 PolarHBondContact O-N 3.41Å
91D85.6Confident74Confident73 Ų7399.8 Ų99.839%0.3958%0.575SS.*  trans-86.5-16.1-179.276.2-38.2000113.4G40 W48G40-D91 WeakPolarHBondContact O-CA 3.32Å; W48-D91 VanDerWaalsContact CH2-O 3.31Å; W48-D91 WeakPolarHBondContact CH2-O 3.3Å
92R81.4Confident71.6Confident196 Ų196102.3 Ų102.374%0.7460%0.596SS**SBendtrans-89.2118.9-178.7-166.5176.6-175.1111.7-1.7110.8Q94R92-Q94 PolarHBondContact O-N 3.04Å
93Q71.5Confident69.4Low109 Ų109102.4 Ų102.451%0.50961%0.608SS.*  trans-68.292.1173.8-164.8173.92.600110.7W48 G95W48-Q93 HydrophobicContact CD2-CB 4.49Å; W48-Q93 HydrophobicContact CD2-CG 4.15Å; W48-Q93 HydrophobicContact CE3-CB 4.35Å; W48-Q93 HydrophobicContact CE3-CG 4.29Å; W48-Q93 HydrophobicContact CH2-CB 3.69Å; W48-Q93 HydrophobicContact CH2-CG 4.38Å; W48-Q93 HydrophobicContact CZ2-CB 3.83Å; W48-Q93 HydrophobicContact CZ2-CG 4.23Å; W48-Q93 HydrophobicContact CZ3-CB 3.96Å; W48-Q93 HydrophobicContact CZ3-CG 4.41Å; Q93-G95 PolarHBondContact O-N 2.59Å
94Q58.8Low66.6Low180 Ų180111.5 Ų111.584%0.84165%0.647SS**THydrogen-bonded Turntrans-69.776174-66.1172.426.600109.6R92R92-Q94 PolarHBondContact O-N 3.04Å
95G50.3Low64.4Low67 Ų67113.5 Ų113.569%0.69166%0.657SS**THydrogen-bonded Turntrans176.1-13.3-174.800000116.6Q93 G97Q93-G95 PolarHBondContact O-N 2.59Å; G95-G97 VanDerWaalsContact C-N 3.3Å
96A44Very low61.5Low86 Ų86114.9 Ų114.971%0.71168%0.68SS**  trans-95.224170.200000112.8
97G40.6Very low59.4Low65 Ų65116.7 Ų116.767%0.6768%0.677SS**  trans-84.8109.5172.500000110.5G95G95-G97 VanDerWaalsContact C-N 3.3Å
98E43Very low57Low185 Ų185120.9 Ų120.986%0.86469%0.686SS**  trans-56.7140.5157.3-73.4-152.9106.900109.5G100E98-G100 PolarHBondContact O-N 2.91Å
99P41.3Very low54.7Low139 Ų139124.5 Ų124.590%0.90373%0.725SS**SBendtrans-74.588.3-17830.7-34.8000110.9
100G45.5Very low52.5Low65 Ų65121.7 Ų121.767%0.6772%0.717SS**  trans123.792.8157.100000116.3E98E98-G100 PolarHBondContact O-N 2.91Å
101R39.6Very low50.7Low249 Ų249124.9 Ų124.994%0.9475%0.748SS**  trans-157119.8132-113.4164.2-175.11382.6111.1
102A45.5Very low49.2Very low86 Ų86125.9 Ų125.971%0.71176%0.757SS**  trans-70.9155.2161.600000109.9
103D50.5Low48.4Very low151 Ų151120 Ų12081%0.80774%0.744SS**  trans44.2103.9166.4-72.1-67.7000118.4
104K39.3Very low48.1Very low209 Ų209121.6 Ų121.691%0.90975%0.754SS**  -157.7123.2129.7-115.9176.3-178.9-171.10111.7G106K104-G106 PolarHBondContact O-N 2.95Å
105D49.8Very low48.8Very low169 Ų169120.9 Ų120.990%0.90475%0.745SS**  trans-55.8128.1164.2-69.5-67.5000110.5
106G35.7Very low50.1Low59 Ų59120 Ų12061%0.60873%0.726SS**  trans-166.1127.4172.300000109.3K104K104-G106 PolarHBondContact O-N 2.95Å
107P50.2Low52Low114 Ų114119.5 Ų119.574%0.7472%0.716SS**SBendtrans-66.2-179.7161.133.5-34.5000109.3
108D44.1Very low54Low144 Ų144123.4 Ų123.477%0.7772%0.715SS**  trans77.737.8172.1-41.3-27.7000115.2
109G46.7Very low55.9Low82 Ų82120.2 Ų120.285%0.84570%0.703SS**  trans-88.31.5166.800000115.4A111G109-A111 PolarHBondContact O-N 2.78Å
110S47.6Very low58.1Low93 Ų93118.2 Ų118.265%0.6568%0.684SS**SBendtrans-75.6122172.953.30000109.3V112S110-V112 WeakPolarHBondContact O-CG2 3.35Å; S110-V112 PolarHBondContact O-N 3.24Å
111A54.4Low60.3Low101 Ų101120 Ų12084%0.83568%0.681SS**  trans-54.9100.2-177.700000111.1G109 P113G109-A111 PolarHBondContact O-N 2.78Å; A111-P113 WeakPolarHBondContact O-CD 3.2Å; A111-P113 VanDerWaalsContact O-N 3.13Å
112V54.3Low62.8Low95 Ų95109.8 Ų109.858%0.57665%0.653SS**  trans-66.7109.1-176.3177.30000108S110 V116S110-V112 WeakPolarHBondContact O-CG2 3.35Å; S110-V112 PolarHBondContact O-N 3.24Å; V112-V116 HydrophobicContact CG1-CB 3.56Å; V112-V116 HydrophobicContact CG1-CG1 3.83Å; V112-V116 HydrophobicContact CG1-CG2 3.72Å
113P63.2Low64.9Low72 Ų72109.1 Ų109.147%0.46864%0.643SS.*  trans-67.7150-176.227.9-33.2000109.8A111 Y115 V116A111-P113 WeakPolarHBondContact O-CD 3.2Å; A111-P113 VanDerWaalsContact O-N 3.13Å; P113-Y115 HydrophobicContact CB-CD2 4.16Å; P113-Y115 PolarHBondContact O-N 3.47Å; P113-V116 HydrophobicContact CG-CG2 4.02Å; P113-V116 PolarHBondContact O-N 2.84Å
114I66Low67Low142 Ų142105.2 Ų105.273%0.72863%0.625SS**THydrogen-bonded Turntrans-52.4-19.2-175.7-65.3169.2000113P117 F118I114-P117 WeakPolarHBondContact O-CD 3.35Å; I114-F118 WeakPolarHBondContact O-CD2 3.47Å
115Y73.3Confident69.6Low166 Ų166101.6 Ų101.665%0.65161%0.609SS**THydrogen-bonded Turntrans-72.3-21.4175.3-51.5-64.3000115.3P113 F118 L119P113-Y115 HydrophobicContact CB-CD2 4.16Å; P113-Y115 PolarHBondContact O-N 3.47Å; Y115-F118 CarbonylContact O-C 3.58Å; Y115-F118 WeakPolarHBondContact O-CA 3.26Å; Y115-F118 WeakPolarHBondContact O-CB 3.42Å; Y115-F118 PolarHBondContact O-N 2.79Å; Y115-L119 WeakPolarHBondContact O-CG 3.47Å; Y115-L119 PolarHBondContact O-N 2.88Å
116V77.7Confident71.7Confident47 Ų4797.3 Ų97.329%0.28559%0.589SS.*Hα-helixtrans-61.1-43.9-173.4169.50000113.7V112 P113 F118 L119 I120V112-V116 HydrophobicContact CG1-CB 3.56Å; V112-V116 HydrophobicContact CG1-CG1 3.83Å; V112-V116 HydrophobicContact CG1-CG2 3.72Å; P113-V116 HydrophobicContact CG-CG2 4.02Å; P113-V116 PolarHBondContact O-N 2.84Å; V116-F118 VanDerWaalsContact C-N 3.29Å; V116-F118 PolarHBondContact O-N 2.72Å; V116-L119 PolarHBondContact O-N 2.99Å; V116-I120 HydrophobicContact CG1-CD1 3.78Å; V116-I120 HydrophobicContact CG1-CG1 4.42Å; V116-I120 WeakPolarHBondContact O-CG1 3.4Å; V116-I120 PolarHBondContact O-N 2.97Å
117P83.6Confident74.2Confident76 Ų7697.1 Ų97.149%0.49458%0.581SS.*Hα-helixtrans-57.2-39.5171-26.635.8000113.2I114 I120 V121I114-P117 WeakPolarHBondContact O-CD 3.35Å; P117-I120 PolarHBondContact O-N 2.82Å; P117-V121 WeakPolarHBondContact O-CG2 3.33Å; P117-V121 PolarHBondContact O-N 3.47Å
118F82.8Confident76.4Confident148 Ų14898.3 Ų98.365%0.64958%0.575SS**Hα-helixtrans-69.3-35.4176.9-63.4-82.1000112.5I114 Y115 V116 G122I114-F118 WeakPolarHBondContact O-CD2 3.47Å; Y115-F118 CarbonylContact O-C 3.58Å; Y115-F118 WeakPolarHBondContact O-CA 3.26Å; Y115-F118 WeakPolarHBondContact O-CB 3.42Å; Y115-F118 PolarHBondContact O-N 2.79Å; V116-F118 VanDerWaalsContact C-N 3.29Å; V116-F118 PolarHBondContact O-N 2.72Å; F118-G122 WeakPolarHBondContact O-CA 3.18Å; F118-G122 PolarHBondContact O-N 3.05Å
119L82.4Confident78.8Confident117 Ų11795.9 Ų95.961%0.61356%0.561SS**Hα-helixtrans-68.2-39.3173.4-67.6177.1000111.8Y115 V116 S123Y115-L119 WeakPolarHBondContact O-CG 3.47Å; Y115-L119 PolarHBondContact O-N 2.88Å; V116-L119 PolarHBondContact O-N 2.99Å; L119-S123 WeakPolarHBondContact O-CB 3.09Å; L119-S123 PolarHBondContact O-N 3.4Å; L119-S123 PolarHBondContact O-OG 3.4Å
120I87.2Confident81Confident98 Ų9896.6 Ų96.650%0.50355%0.545SS..Hα-helixtrans-63.4-52.8174-67.6159.8000110V116 P117 G122 S123 V124V116-I120 HydrophobicContact CG1-CD1 3.78Å; V116-I120 HydrophobicContact CG1-CG1 4.42Å; V116-I120 WeakPolarHBondContact O-CG1 3.4Å; V116-I120 PolarHBondContact O-N 2.97Å; P117-I120 PolarHBondContact O-N 2.82Å; I120-G122 PolarHBondContact O-N 2.92Å; I120-S123 PolarHBondContact O-N 3.34Å; I120-S123 PolarHBondContact O-OG 3.35Å; I120-S123 VanDerWaalsContact O-OG 3.05Å; I120-V124 VanDerWaalsContact O-CB 3.32Å; I120-V124 WeakPolarHBondContact O-CB 3.4Å; I120-V124 WeakPolarHBondContact O-CG2 3Å; I120-V124 PolarHBondContact O-N 3.48Å
121V93.1Very high83.2Confident103 Ų10397 Ų9762%0.62454%0.539SS*.Hα-helixtrans-62.7-43180173.50000111.4P117 F125P117-V121 WeakPolarHBondContact O-CG2 3.33Å; P117-V121 PolarHBondContact O-N 3.47Å; V121-F125 VanDerWaalsContact O-CB 3.31Å; V121-F125 WeakPolarHBondContact O-CB 3.39Å; V121-F125 PolarHBondContact O-N 3.44Å
122G91.4Very high85Confident33 Ų3394.2 Ų94.234%0.3452%0.52SS..Hα-helixtrans-65.7-44.817900000113.4F118 I120 F125 V126F118-G122 WeakPolarHBondContact O-CA 3.18Å; F118-G122 PolarHBondContact O-N 3.05Å; I120-G122 PolarHBondContact O-N 2.92Å; G122-F125 PolarHBondContact O-N 3.18Å; G122-V126 WeakPolarHBondContact O-CG2 3.45Å; G122-V126 PolarHBondContact O-N 3.47Å
123S89.2Confident86.7Confident73 Ų7393 Ų9351%0.5152%0.516SS..Hα-helixtrans-66.4-41.5177.258.90000112.2L119 I120 V126 A127L119-S123 WeakPolarHBondContact O-CB 3.09Å; L119-S123 PolarHBondContact O-N 3.4Å; L119-S123 PolarHBondContact O-OG 3.4Å; I120-S123 PolarHBondContact O-N 3.34Å; I120-S123 PolarHBondContact O-OG 3.35Å; I120-S123 VanDerWaalsContact O-OG 3.05Å; S123-V126 PolarHBondContact O-N 3.3Å; S123-A127 WeakPolarHBondContact O-CB 2.95Å; S123-A127 PolarHBondContact O-N 3.35Å
124V94.3Very high87.8Confident69 Ų6995 Ų9542%0.41852%0.522SS..Hα-helixtrans-62.2-44.3174.4169.40000111.1I120 A127 F128I120-V124 VanDerWaalsContact O-CB 3.32Å; I120-V124 WeakPolarHBondContact O-CB 3.4Å; I120-V124 WeakPolarHBondContact O-CG2 3Å; I120-V124 PolarHBondContact O-N 3.48Å; V124-A127 PolarHBondContact O-N 2.81Å; V124-F128 HydrophobicContact CG1-CD2 3.75Å; V124-F128 HydrophobicContact CG1-CE2 3.39Å; V124-F128 HydrophobicContact CG1-CZ 4.41Å; V124-F128 WeakPolarHBondContact O-CD2 3.4Å; V124-F128 PolarHBondContact O-N 2.64Å
125F94.5Very high89.1Confident132 Ų13292.1 Ų92.158%0.57951%0.511SS*.Hα-helixtrans-59.2-50.8175.2177.7-102000111.8V121 G122 A127 F128 I129V121-F125 VanDerWaalsContact O-CB 3.31Å; V121-F125 WeakPolarHBondContact O-CB 3.39Å; V121-F125 PolarHBondContact O-N 3.44Å; G122-F125 PolarHBondContact O-N 3.18Å; F125-A127 VanDerWaalsContact C-N 3.32Å; F125-A127 PolarHBondContact O-N 2.82Å; F125-F128 PolarHBondContact O-N 2.04Å; F125-I129 HydrophobicContact CD1-CG1 4.39Å; F125-I129 HydrophobicContact CE1-CG1 4.03Å; F125-I129 HydrophobicContact CE2-CD1 4.29Å; F125-I129 HydrophobicContact CE2-CG1 4.36Å; F125-I129 HydrophobicContact CZ-CD1 4.09Å; F125-I129 HydrophobicContact CZ-CG1 4.01Å; F125-I129 WeakPolarHBondContact O-CG1 3.18Å; F125-I129 PolarHBondContact O-N 2.77Å
126V93.1Very high89.8Confident80 Ų8086.7 Ų86.749%0.48550%0.501SS..Hα-helixtrans-61-40.1178.1171.70000111.6G122 S123 F128 I129 I130G122-V126 WeakPolarHBondContact O-CG2 3.45Å; G122-V126 PolarHBondContact O-N 3.47Å; S123-V126 PolarHBondContact O-N 3.3Å; V126-F128 PolarHBondContact O-N 3.25Å; V126-I129 PolarHBondContact O-N 2.03Å; V126-I130 HydrophobicContact CG1-CD1 3.79Å; V126-I130 HydrophobicContact CG1-CG1 4.4Å; V126-I130 WeakPolarHBondContact O-CG1 3.49Å; V126-I130 PolarHBondContact O-N 2.87Å
127A90Very high90.2Very high54 Ų5486.8 Ų86.845%0.44651%0.506SS..Hα-helixtrans-60.5-42.9175.800000112.2S123 V124 F125 I130 L131S123-A127 WeakPolarHBondContact O-CB 2.95Å; S123-A127 PolarHBondContact O-N 3.35Å; V124-A127 PolarHBondContact O-N 2.81Å; F125-A127 VanDerWaalsContact C-N 3.32Å; F125-A127 PolarHBondContact O-N 2.82Å; A127-I130 PolarHBondContact O-N 3.24Å; A127-L131 VanDerWaalsContact O-CB 3.32Å; A127-L131 WeakPolarHBondContact O-CB 3.43Å; A127-L131 PolarHBondContact O-N 3.48Å
128F95.2Very high90.1Very high140 Ų14086.7 Ų86.761%0.61451%0.507SS*.Hα-helixtrans-65.5-38.8175-76-55.9000113V124 F125 V126 L131 G132V124-F128 HydrophobicContact CG1-CD2 3.75Å; V124-F128 HydrophobicContact CG1-CE2 3.39Å; V124-F128 HydrophobicContact CG1-CZ 4.41Å; V124-F128 WeakPolarHBondContact O-CD2 3.4Å; V124-F128 PolarHBondContact O-N 2.64Å; F125-F128 PolarHBondContact O-N 2.04Å; V126-F128 PolarHBondContact O-N 3.25Å; F128-L131 PolarHBondContact O-N 2.81Å; F128-G132 PolarHBondContact O-N 3.18Å
129I94.3Very high90.2Very high92 Ų9282.5 Ų82.547%0.47250%0.495SS..Hα-helixtrans-64.1-43175.7-63.3-59.8000111F125 V126 S133F125-I129 HydrophobicContact CD1-CG1 4.39Å; F125-I129 HydrophobicContact CE1-CG1 4.03Å; F125-I129 HydrophobicContact CE2-CD1 4.29Å; F125-I129 HydrophobicContact CE2-CG1 4.36Å; F125-I129 HydrophobicContact CZ-CD1 4.09Å; F125-I129 HydrophobicContact CZ-CG1 4.01Å; F125-I129 WeakPolarHBondContact O-CG1 3.18Å; F125-I129 PolarHBondContact O-N 2.77Å; V126-I129 PolarHBondContact O-N 2.03Å; I129-S133 WeakPolarHBondContact O-CB 3.03Å; I129-S133 PolarHBondContact O-N 2.86Å; I129-S133 PolarHBondContact O-OG 2.9Å
130I92.9Very high90Very high97 Ų9780.8 Ų80.850%0.49749%0.492SS..Hα-helixtrans-63.9-51176-66.9167.7000110.5V126 A127 S133 L134V126-I130 HydrophobicContact CG1-CD1 3.79Å; V126-I130 HydrophobicContact CG1-CG1 4.4Å; V126-I130 WeakPolarHBondContact O-CG1 3.49Å; V126-I130 PolarHBondContact O-N 2.87Å; A127-I130 PolarHBondContact O-N 3.24Å; I130-S133 PolarHBondContact O-N 3.35Å; I130-L134 HydrophobicContact CG2-CD1 4.03Å; I130-L134 HydrophobicContact CG2-CG 4.49Å; I130-L134 WeakPolarHBondContact O-CG 3.4Å; I130-L134 PolarHBondContact O-N 2.88Å
131L93.3Very high89.2Confident102 Ų10285.1 Ų85.153%0.53450%0.502SS..Hα-helixtrans-62.7-45.7-178.5-177.460.6000112A127 F128 S133 L134 V135A127-L131 VanDerWaalsContact O-CB 3.32Å; A127-L131 WeakPolarHBondContact O-CB 3.43Å; A127-L131 PolarHBondContact O-N 3.48Å; F128-L131 PolarHBondContact O-N 2.81Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 3.04Å; L131-L134 PolarHBondContact O-N 2.93Å; L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 3.48Å
132G92.7Very high88Confident42 Ų4285.1 Ų85.143%0.43351%0.505SS..Hα-helixtrans-61.1-40.1175.300000112.5F128 V135 A136F128-G132 PolarHBondContact O-N 3.18Å; G132-V135 PolarHBondContact O-N 3.1Å; G132-A136 WeakPolarHBondContact O-CB 3.32Å; G132-A136 PolarHBondContact O-N 3.48Å
133S89.7Confident86.5Confident71 Ų7190.1 Ų90.150%0.49752%0.524SS..Hα-helixtrans-67.2-38175.9-61.10000112.7I129 I130 L131 A137I129-S133 WeakPolarHBondContact O-CB 3.03Å; I129-S133 PolarHBondContact O-N 2.86Å; I129-S133 PolarHBondContact O-OG 2.9Å; I130-S133 PolarHBondContact O-N 3.35Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 3.04Å; S133-A137 VanDerWaalsContact O-CB 3.24Å; S133-A137 WeakPolarHBondContact O-CB 3.4Å; S133-A137 PolarHBondContact O-N 3.03Å
134L87.8Confident84.6Confident112 Ų11295.2 Ų95.259%0.58653%0.532SS*.Hα-helixtrans-66.2-43.2174.8-72.8171.7000111.7I130 L131 A137 C138I130-L134 HydrophobicContact CG2-CD1 4.03Å; I130-L134 HydrophobicContact CG2-CG 4.49Å; I130-L134 WeakPolarHBondContact O-CG 3.4Å; I130-L134 PolarHBondContact O-N 2.88Å; L131-L134 PolarHBondContact O-N 2.93Å; L134-A137 PolarHBondContact O-N 3.41Å; L134-C138 VanDerWaalsContact O-CB 3.25Å; L134-C138 WeakPolarHBondContact O-CB 3.37Å; L134-C138 PolarHBondContact O-N 2.04Å
135V92.4Very high82.6Confident82 Ų8296.9 Ų96.950%0.49754%0.544SS..Hα-helixtrans-62.7-48.5174.4173.30000110.3L131 G132 A137 C138 C139L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 3.48Å; G132-V135 PolarHBondContact O-N 3.1Å; V135-A137 PolarHBondContact O-N 2.96Å; V135-C138 PolarHBondContact O-N 2.85Å; V135-C139 WeakPolarHBondContact O-CB 3.11Å; V135-C139 PolarHBondContact O-N 3.41Å; V135-C139 PolarHBondContact O-SG 2.99Å
136A88.3Confident80.4Confident53 Ų5398.5 Ų98.544%0.43855%0.551SS.*Hα-helixtrans-58.7-45.7176.900000112G132 C139 C140G132-A136 WeakPolarHBondContact O-CB 3.32Å; G132-A136 PolarHBondContact O-N 3.48Å; A136-C139 PolarHBondContact O-N 2.92Å; A136-C140 WeakPolarHBondContact O-CB 3.05Å; A136-C140 PolarHBondContact O-N 2.89Å; A136-C140 PolarHBondContact O-SG 3.49Å
137A85.4Confident78.1Confident48 Ų48102 Ų10240%0.39756%0.562SS.*Hα-helixtrans-63.6-41.5176.500000112.3S133 L134 V135 C140 R141S133-A137 VanDerWaalsContact O-CB 3.24Å; S133-A137 WeakPolarHBondContact O-CB 3.4Å; S133-A137 PolarHBondContact O-N 3.03Å; L134-A137 PolarHBondContact O-N 3.41Å; V135-A137 PolarHBondContact O-N 2.96Å; A137-C140 PolarHBondContact O-N 2.86Å; A137-R141 WeakPolarHBondContact O-CB 3.5Å; A137-R141 WeakPolarHBondContact O-CG 3.37Å; A137-R141 PolarHBondContact O-N 3.2Å
138C81.6Confident76Confident75 Ų75104.1 Ų104.151%0.50757%0.565SS.*Hα-helixtrans-61.2-52.2175-172.50000110.8L134 V135 C140 R141 C142L134-C138 VanDerWaalsContact O-CB 3.25Å; L134-C138 WeakPolarHBondContact O-CB 3.37Å; L134-C138 PolarHBondContact O-N 2.04Å; V135-C138 PolarHBondContact O-N 2.85Å; C138-C140 PolarHBondContact O-N 2.87Å; C138-R141 PolarHBondContact O-N 3.45Å; C138-C142 PolarHBondContact O-N 3.19Å; C138-C142 PolarHBondContact O-SG 3.18Å; C138-C142 VanDerWaalsContact O-SG 3.35Å
139C84.3Confident73.7Confident59 Ų59102.7 Ų102.740%0.39957%0.57SS.*Hα-helixtrans-56.8-45.1175.6-67.70000111.9V135 A136 R141 C142 L143V135-C139 WeakPolarHBondContact O-CB 3.11Å; V135-C139 PolarHBondContact O-N 3.41Å; V135-C139 PolarHBondContact O-SG 2.99Å; A136-C139 PolarHBondContact O-N 2.92Å; C139-R141 VanDerWaalsContact C-N 3.28Å; C139-R141 PolarHBondContact O-N 2.04Å; C139-C142 PolarHBondContact O-N 3.2Å; C139-L143 WeakPolarHBondContact O-CB 3.44Å; C139-L143 VanDerWaalsContact O-CG 3.25Å; C139-L143 WeakPolarHBondContact O-CG 3.49Å; C139-L143 PolarHBondContact O-N 3.41Å
140C79.5Confident71.3Confident82 Ų82106.4 Ų106.455%0.55459%0.586SS**Hα-helixtrans-68.2-21.7176.6-69.80000114.1A136 A137 C138 R144A136-C140 WeakPolarHBondContact O-CB 3.05Å; A136-C140 PolarHBondContact O-N 2.89Å; A136-C140 PolarHBondContact O-SG 3.49Å; A137-C140 PolarHBondContact O-N 2.86Å; C138-C140 PolarHBondContact O-N 2.87Å; C140-R144 WeakPolarHBondContact O-CB 3.43Å; C140-R144 VanDerWaalsContact O-CG 3.29Å; C140-R144 WeakPolarHBondContact O-CG 3.45Å; C140-R144 PolarHBondContact O-N 3.44Å
141R70Confident69.1Low188 Ų188109.4 Ų109.471%0.70960%0.597SS**Hα-helixtrans-85.3-34.7174.4-68.4-73.8158.684.42.7112A137 C138 C139A137-R141 WeakPolarHBondContact O-CB 3.5Å; A137-R141 WeakPolarHBondContact O-CG 3.37Å; A137-R141 PolarHBondContact O-N 3.2Å; C138-R141 PolarHBondContact O-N 3.45Å; C139-R141 VanDerWaalsContact C-N 3.28Å; C139-R141 PolarHBondContact O-N 2.04Å
142C67.8Low66.8Low104 Ų104110.6 Ų110.670%0.70361%0.614SS**Hα-helixtrans-74.7-32.7172.4-63.30000112.8C138 C139C138-C142 PolarHBondContact O-N 3.19Å; C138-C142 PolarHBondContact O-SG 3.18Å; C138-C142 VanDerWaalsContact O-SG 3.35Å; C139-C142 PolarHBondContact O-N 3.2Å
143L59.7Low64.2Low138 Ų138119.2 Ų119.272%0.72363%0.634SS**SBendtrans-94.8-2.2-180-65.2174.8000114.2C139 P145C139-L143 WeakPolarHBondContact O-CB 3.44Å; C139-L143 VanDerWaalsContact O-CG 3.25Å; C139-L143 WeakPolarHBondContact O-CG 3.49Å; C139-L143 PolarHBondContact O-N 3.41Å; L143-P145 WeakPolarHBondContact O-CD 3.42Å; L143-P145 VanDerWaalsContact O-N 3.14Å
144R50.7Low61.7Low180 Ų180119.7 Ų119.768%0.67964%0.642SS**  trans-70101.3164.8-102.5-79.9179118.7-2106.6C140C140-R144 WeakPolarHBondContact O-CB 3.43Å; C140-R144 VanDerWaalsContact O-CG 3.29Å; C140-R144 WeakPolarHBondContact O-CG 3.45Å; C140-R144 PolarHBondContact O-N 3.44Å
145P51.1Low59.9Low104 Ų104121 Ų12168%0.67566%0.658SS**  trans-65.4160.7171.2-4.826.3000106.2L143 Q147L143-P145 WeakPolarHBondContact O-CD 3.42Å; L143-P145 VanDerWaalsContact O-N 3.14Å; P145-Q147 PolarHBondContact O-N 2.87Å
146K48.7Very low57.3Low166 Ų166120.7 Ų120.772%0.72267%0.671SS**  trans-6487.8172.5-170.1-178175.6-102.50108.7D148K146-D148 IonicContact NZ-OD1 2.64Å; K146-D148 PolarHBondContact NZ-OD1 3.03Å; K146-D148 IonicContact NZ-OD2 2.85Å; K146-D148 PolarHBondContact NZ-OD2 3.38Å; K146-D148 PolarHBondContact O-N 2.94Å
147Q45.1Very low55.3Low154 Ų154121.4 Ų121.472%0.7268%0.683SS**  trans-7576.2173.7-151.7175.82100106.2P145 P149P145-Q147 PolarHBondContact O-N 2.87Å; Q147-P149 WeakPolarHBondContact O-CD 3.31Å
148D46Very low52.9Low97 Ų97126.3 Ų126.352%0.51970%0.703SS.*  trans-49.7122.4156-74.6-57.2000105.4K146 Q150K146-D148 IonicContact NZ-OD1 2.64Å; K146-D148 PolarHBondContact NZ-OD1 3.03Å; K146-D148 IonicContact NZ-OD2 2.85Å; K146-D148 PolarHBondContact NZ-OD2 3.38Å; K146-D148 PolarHBondContact O-N 2.94Å; D148-Q150 VanDerWaalsContact C-N 3.26Å; D148-Q150 PolarHBondContact O-N 3.32Å
149P46.5Very low50.8Low110 Ų110133.3 Ų133.371%0.71472%0.719SS**  trans-70.786.8-17026.2-33.9000109.8Q147 Q151Q147-P149 WeakPolarHBondContact O-CD 3.31Å; P149-Q151 PolarHBondContact O-N 2.8Å
150Q43.5Very low48.7Very low171 Ų171138.6 Ų138.680%0.79974%0.742SS**  trans-66.174.9163.9-93.5-73.9-73.100108.7D148 S152D148-Q150 VanDerWaalsContact C-N 3.26Å; D148-Q150 PolarHBondContact O-N 3.32Å; Q150-S152 PolarHBondContact O-N 3.3Å
151Q47.7Very low46.8Very low159 Ų159142.1 Ų142.174%0.74375%0.752SS**  trans16.578.7135.2-164.1159.32.500114.2P149 R153P149-Q151 PolarHBondContact O-N 2.8Å; Q151-R153 PolarHBondContact O-N 3.41Å
152S44.3Very low45.3Very low127 Ų127140.7 Ų140.789%0.88875%0.754SS**  trans-62.882166.5-59.10000109.6Q150Q150-S152 PolarHBondContact O-N 3.3Å
153R38.5Very low43.7Very low223 Ų223141.9 Ų141.984%0.84276%0.758SS**  trans-96.6102.2163.5-166.5161.8-173.580.2-0.9107.6Q151Q151-R153 PolarHBondContact O-N 3.41Å
154A37.6Very low42.9Very low81 Ų81142.7 Ų142.767%0.66976%0.761SS**  trans-55.6155.9173.400000111.5G156A154-G156 PolarHBondContact O-N 3.35Å
155P49.9Very low42.8Very low141 Ų141139.1 Ų139.192%0.91676%0.761SS**  trans-70.9102.2-176.428.9-34.6000111
156G37.4Very low41.9Very low75 Ų75142.8 Ų142.877%0.77377%0.772SS**  trans-104.8107.3169.400000109.7A154A154-G156 PolarHBondContact O-N 3.35Å
157G46.3Very low41.7Very low68 Ų68142.2 Ų142.270%0.70178%0.775SS**  trans-74147.4176.100000112.3
158N34.6Very low41.6Very low151 Ų151140.4 Ų140.481%0.80778%0.776SS**  trans-167.2124.9140.7-101.2-25.8000111.2
159R37.4Very low41Very low221 Ų221141 Ų14183%0.83479%0.789SS**  trans30.9119149.1-53.2-177.8179.8-142.8-0.9118.6
160L41.3Very low40.5Very low170 Ų170141 Ų14189%0.8980%0.797SS**  -167.8160.595.7-98157.1000111.1
161M39.6Very low40.2Very low156 Ų156138.3 Ų138.377%0.76880%0.797SS**  trans-70153178-66.5157.660.200110.7
162E37.3Very low39.6Very low159 Ų159137.7 Ų137.774%0.74381%0.805SS**  162.9133.296.8-158.9131.3127.700113.1
163T34.3Very low39.1Very low128 Ų128137 Ų13779%0.78580%0.8SS**  trans66.1111.7150.3-59.60000122.5
164I42.8Very low39.2Very low156 Ų156138.3 Ų138.380%0.881%0.805SS**  trans-81.6157.2151.8-66.8164000108.2
165P49.2Very low39.1Very low105 Ų105137.9 Ų137.968%0.68281%0.809SS**  cis-127-177.11.628.2-6.3000114.4
166M33Very low38.2Very low180 Ų180137 Ų13789%0.88781%0.806SS**  -169.7131.5120.4-90.9-107-88.700111.3
167I44Very low38.3Very low154 Ų154138.3 Ų138.379%0.7980%0.803SS**  trans-120143167.2-47.7167000105.4
168P43.7Very low37.9Very low116 Ų116140.4 Ų140.475%0.75381%0.807SS**  -144.6134.1107.130.6-12.5000115.6
169S33.4Very low38Very low111 Ų111144.7 Ų144.778%0.77681%0.812SS**  41.3114.5128.9-48.50000121.4
170A34.8Very low38.2Very low108 Ų108142.8 Ų142.889%0.89381%0.812SS**  trans-144.5111.7141.100000110.4
171S36.4Very low38Very low115 Ų115139.4 Ų139.480%0.80480%0.803SS**  trans-100.2124.9179.553.20000111.4
172T35.5Very low38.3Very low147 Ų147136.7 Ų136.790%0.90280%0.799SS**  trans-138.9113.6160.253.70000111.2
173S35.2Very low38.4Very low111 Ų111135.7 Ų135.778%0.77680%0.804SS**  trans-99.2146.6169.550.40000110.9
174R40.5Very low38.6Very low251 Ų251134.2 Ų134.295%0.94781%0.805SS**  trans160.9109158.8-94.1158.2175.3-173.4-2.1107.3
175G34.9Very low38.3Very low73 Ų73131.5 Ų131.575%0.75381%0.806SS**  106.2149.687.300000109
176S31.8Very low37.5Very low122 Ų122131.9 Ų131.985%0.85381%0.811SS**  cis-156.6163.12.4-70.40000112.4
177S38.3Very low37.7Very low102 Ų102128 Ų12871%0.71380%0.802SS**  trans-17.7130.9167.556.60000122.6
178S39.2Very low37.3Very low113 Ų113126 Ų12679%0.7980%0.801SS**  33.5131.2110.7-44.90000122.9
179R36.5Very low36.9Very low241 Ų241125.3 Ų125.391%0.90980%0.799SS**  trans-144.6124.3148.1-63.5-177.7179.7-1101.4105.2
180Q39.9Very low37.1Very low181 Ų181125.4 Ų125.485%0.84680%0.8SS**  cis53.4126.547.9-70.1-1694.400113.1
181S39Very low37.1Very low98 Ų98125 Ų12569%0.68580%0.797SS**  cis-154.3173.2-7.9-70.80000106.2
182S45Very low37.1Very low100 Ų100126.7 Ų126.770%0.69980%0.797SS**  174.7142.161.9-72.60000111.1
183T39Very low37.2Very low137 Ų137125 Ų12584%0.8479%0.791SS**  trans21.2148.6135.464.70000121.7
184A39.8Very low37.4Very low98 Ų98123.1 Ų123.181%0.8179%0.789SS**  cis-145.3-159.322.900000110.9
185A34.6Very low37.4Very low99 Ų99116.6 Ų116.682%0.81879%0.788SS**  cis-155.3-161.78.600000112.6
186S32.8Very low37.7Very low112 Ų112124.9 Ų124.978%0.78380%0.797SS**  trans-98167.8-176.5-510000112.4
187S36.8Very low38.4Very low100 Ų100123.3 Ų123.370%0.69979%0.792SS**  cis-168.7152.448.5-55.40000114.8
188S37.2Very low39.1Very low110 Ų110123.8 Ų123.877%0.76979%0.792SS**  trans53.6135.7138.968.20000120.8
189S35.1Very low39.7Very low102 Ų102124.6 Ų124.671%0.71380%0.795SS**  cis-158.3153.822.6-59.90000114.2
190S36.4Very low39.9Very low113 Ų113119.7 Ų119.779%0.7979%0.792SS**  trans49116.5141.463.60000123.2
191A34.3Very low39.6Very low100 Ų100120.8 Ų120.883%0.82679%0.788SS**  110.9124.3122.800000120.9
192N37.1Very low39.5Very low150 Ų150121.4 Ų121.480%0.80279%0.793SS**  trans82.795.6146.7-133.827.4000121.1
193S38.1Very low39.2Very low113 Ų113122.3 Ų122.379%0.7979%0.786SS**  64.1121123.2-58.40000121.5
194G38.7Very low39.2Very low71 Ų71122.1 Ų122.173%0.73279%0.785SS**  trans142.8107.7160.300000113.2R196G194-R196 PolarHBondContact O-N 3.29Å
195A40Very low39Very low113 Ų113123.5 Ų123.593%0.93478%0.779SS**PPolyproline II helixtrans-66.3128.2178.500000111.5
196R42.5Very low39.1Very low247 Ų247124.7 Ų124.793%0.93278%0.779SS**PPolyproline II helixtrans-97.1126.2170.7-85.2-176.9172.3171.2-1.3110.9G194G194-R196 PolarHBondContact O-N 3.29Å
197A46.9Very low39.3Very low90 Ų90124.5 Ų124.574%0.74478%0.777SS**PPolyproline II helixtrans-68.2155.4166.200000111
198P51.6Low39.6Very low112 Ų112128 Ų12873%0.72779%0.787SS**PPolyproline II helixtrans-68151.9179.829-35.8000112T200P198-T200 PolarHBondContact O-N 2.78Å
199P51.3Low39.8Very low130 Ų130128 Ų12884%0.84478%0.784SS**PPolyproline II helixtrans-68.2127.3179.128.2-34000111.2
200T40.6Very low40.2Very low138 Ų138132.9 Ų132.985%0.84780%0.796SS**PPolyproline II helixtrans-77.7129.5174.743.70000111P198 S202P198-T200 PolarHBondContact O-N 2.78Å; T200-S202 PolarHBondContact O-N 2.98Å
201R35.2Very low40.6Very low203 Ų203130.6 Ų130.677%0.76679%0.79SS**  trans-68.9109.9179.8174.8-175.9170.1-167.6-2.6110.8Q203R201-Q203 HydrophobicContact CG-CG 4.28Å; R201-Q203 PolarHBondContact O-N 3.46Å
202S36.1Very low40.9Very low111 Ų111132.6 Ų132.678%0.77679%0.792SS**  trans-72.293.3172430000111.5T200 T204T200-S202 PolarHBondContact O-N 2.98Å; S202-T204 PolarHBondContact O-N 2.8Å
203Q39.7Very low41.5Very low120 Ų120133.5 Ų133.556%0.56179%0.793SS**  trans-80.296.7166.3-73.3-106.4104.500109.6R201 N205R201-Q203 HydrophobicContact CG-CG 4.28Å; R201-Q203 PolarHBondContact O-N 3.46Å; Q203-N205 PolarHBondContact O-N 3.22Å
204T38.5Very low42.1Very low133 Ų133134.8 Ų134.882%0.81679%0.792SS**  trans-72.178.3166310000110.1S202 C206S202-T204 PolarHBondContact O-N 2.8Å; T204-C206 PolarHBondContact O-N 3.14Å; T204-C206 VanDerWaalsContact O-N 3.16Å
205N35Very low42.8Very low127 Ų127138.9 Ų138.968%0.67980%0.796SS**  trans-83.690.6-176.7-145.375000110.6Q203 C207Q203-N205 PolarHBondContact O-N 3.22Å; N205-C207 PolarHBondContact O-N 3.26Å
206C37.8Very low43.1Very low123 Ų123140.4 Ų140.483%0.83179%0.794SS**  trans-69.788.5172.4-64.30000111.2T204T204-C206 PolarHBondContact O-N 3.14Å; T204-C206 VanDerWaalsContact O-N 3.16Å
207C36.5Very low43.7Very low108 Ų108139.5 Ų139.573%0.7379%0.792SS**  trans-170.9107.7156.8-100.70000108.4N205N205-C207 PolarHBondContact O-N 3.26Å
208L41.9Very low43.7Very low175 Ų175141.5 Ų141.592%0.91680%0.795SS**PPolyproline II helixtrans-87.3131.7167.9-13884.6000108.7
209P43.3Very low43.4Very low110 Ų110143.7 Ų143.771%0.71480%0.8SS**PPolyproline II helixtrans-78.6158153.234.1-30.4000109.9
210E42.1Very low42.9Very low204 Ų204145.6 Ų145.695%0.95380%0.8SS**SBendtrans-73.4138.1-178.7-142.2164.6117.300111.9
211G45.1Very low43Very low65 Ų65144 Ų14467%0.6779%0.792SS**  trans105.4150.3164.100000117.4
212T40.5Very low44.1Very low141 Ų141140.7 Ų140.787%0.86580%0.795SS**  trans80.974176.7-30.70000116.1
213M50Low44.4Very low169 Ų169141.7 Ų141.783%0.83379%0.792SS**  trans-57.8156.4147.653.2-157.2151.700112
214N51.5Low44.2Very low141 Ų141144.5 Ų144.575%0.75480%0.802SS**  trans100.8146.3178.4-55.4-18.7000116
215N51.8Low44.4Very low156 Ų156143.3 Ų143.383%0.83480%0.799SS**  trans91.349172.9-47.2-18.9000118
216V47.7Very low44.7Very low146 Ų146143.9 Ų143.989%0.88581%0.807SS**  trans-113.877.9151.4-174.10000108.8
217Y54.5Low45.4Very low227 Ų227145.5 Ų145.589%0.8981%0.807SS**  trans-140.652.3171.1-139.9-77.9000111.2
218V47.6Very low45.5Very low133 Ų133146.8 Ų146.881%0.80681%0.806SS**SBendtrans-137.8131.9166.3-78.40000110.7
219N45.3Very low44.8Very low157 Ų157144.3 Ų144.384%0.8480%0.802SS**  trans77.280.2167.6-148.8-7000117.8
220M40.5Very low44.5Very low171 Ų171147.8 Ų147.884%0.84281%0.809SS**  trans-117.3125153.2-173.662.6159.300108.3
221P42.8Very low44.3Very low104 Ų104146.9 Ų146.968%0.67581%0.805SS**  trans-68.2135179.1-19.232.3000112.1N223P221-N223 PolarHBondContact O-N 3.07Å
222T58.1Low43.8Very low133 Ų133148.8 Ų148.882%0.81681%0.814SS**  trans-83.393.2179.251.50000111.9
223N42.5Very low43.9Very low133 Ų133148.6 Ų148.671%0.71181%0.813SS**  trans-155.5143.8157.1-126-105.2000113.8P221P221-N223 PolarHBondContact O-N 3.07Å
224F35.9Very low43Very low178 Ų178149 Ų14978%0.78181%0.813SS**SBendtrans71.693.3177.3-65.9-75.6000119.4
225S42.7Very low42.3Very low108 Ų108149.9 Ų149.976%0.75582%0.816SS**  trans24.6111.2136.5-520000120.2
226V41.6Very low42Very low140 Ų140147 Ų14785%0.84880%0.804SS**  trans-124.2111.5147-179.20000107.9
227L51.1Low41.7Very low157 Ų157145.6 Ų145.682%0.82280%0.797SS**  trans-79.3136.7164.8-85.188.1000109.3
228N38.8Very low40.8Very low135 Ų135143 Ų14372%0.72279%0.793SS**  trans63.184.5155.1-161.136.5000118.4
229C28.5Very low40.1Very low122 Ų122146.3 Ų146.382%0.82480%0.8SS**  trans-135.2125.1135.1-87.90000108.1
230Q35.9Very low39.8Very low184 Ų184141.7 Ų141.786%0.8679%0.789SS**PPolyproline II helixtrans-65.4138.5179.3-72.8-178.8-17.600110.8
231Q37.8Very low39.5Very low185 Ų185142.1 Ų142.186%0.86479%0.789SS**PPolyproline II helixtrans-72.3136.9172.6-72.7175-53.700110.5T233Q231-T233 PolarHBondContact O-N 2.76Å
232A34Very low39.5Very low105 Ų105148.1 Ų148.187%0.86880%0.8SS**PPolyproline II helixtrans-64.1125.3168.300000110.2
233T43.3Very low38.6Very low136 Ų136149.5 Ų149.583%0.83480%0.802SS**PPolyproline II helixtrans-80.7146.5176.6-51.70000110.7Q231Q231-T233 PolarHBondContact O-N 2.76Å
234Q31.9Very low38.5Very low178 Ų178151.5 Ų151.583%0.83281%0.806SS**PPolyproline II helixtrans-59.1146.8-177.3-73.7-15718.600114.3
235I37Very low38.8Very low159 Ų159148.5 Ų148.582%0.81581%0.805SS**PPolyproline II helixtrans-91.2119.2171.4-62.9169.6000109.3
236V44Very low39.2Very low97 Ų97149.3 Ų149.359%0.58881%0.807SS**PPolyproline II helixtrans-100.9136.3163174.10000107.9H238V236-H238 PolarHBondContact O-N 3.39Å
237P42.3Very low39.1Very low115 Ų115153.5 Ų153.575%0.74781%0.81SS**  trans-87.9109.6-173.632.9-32.8000112.2
238H35.8Very low38.9Very low173 Ų173151.3 Ų151.380%0.80180%0.802SS**  trans-127.1141.7166.4-66.7-44.6000112V236V236-H238 PolarHBondContact O-N 3.39Å
239Q33.4Very low38.7Very low202 Ų202148.1 Ų148.194%0.94480%0.801SS**  trans-65.2151.9-174.7-66.6-109.7-200113.2
240G38.5Very low39.3Very low61 Ų61152.1 Ų152.163%0.62980%0.801SS**  trans134.1139.5147.600000117.8
241Q34Very low39.4Very low179 Ų179148.4 Ų148.484%0.83680%0.801SS**  trans60.6113.1162.3-88.185.8-18.600121
242Y43.5Very low39.6Very low230 Ų230145.2 Ų145.290%0.90279%0.794SS**  trans-55.7138.3154.1-66-104.6000112.3
243L38.5Very low39.8Very low163 Ų163149 Ų14985%0.85379%0.794SS**  trans-156.2154.5155.1-101.2138.9000110.3
244H41.2Very low39.7Very low174 Ų174151 Ų15181%0.80679%0.793SS**PPolyproline II helixtrans-75156.4-159.7-74.7-119.6000115.4
245P40.6Very low39.9Very low115 Ų115149.1 Ų149.175%0.74779%0.789SS**PPolyproline II helixtrans-73.4142166.931.7-34.1000111.6
246P50.9Low40Very low125 Ų125146.8 Ų146.881%0.81279%0.787SS**PPolyproline II helixtrans-77.5136.4175.731.1-33.4000111.7
247Y39.3Very low40Very low228 Ų228148 Ų14889%0.89479%0.794SS**PPolyproline II helixtrans-78.4133.6175.4-154.9-94.2000110.2G249Y247-G249 PolarHBondContact O-N 2.97Å
248V47.4Very low40.2Very low111 Ų111148.1 Ų148.167%0.67380%0.796SS**  trans-75.5105.7176.6176.90000109.1Y250V248-Y250 HydrophobicContact CG1-CE2 4.38Å; V248-Y250 PolarHBondContact O-N 3.26Å
249G35.9Very low40.5Very low68 Ų68148.8 Ų148.870%0.70180%0.801SS**  trans-82.2109.717700000112.1Y247 A251Y247-G249 PolarHBondContact O-N 2.97Å; G249-A251 PolarHBondContact O-N 3.07Å
250Y39.8Very low41.1Very low206 Ų206145.5 Ų145.581%0.80880%0.795SS**  trans-74.6119.2161.9-70.5-89.2000108.9V248 V252V248-Y250 HydrophobicContact CG1-CE2 4.38Å; V248-Y250 PolarHBondContact O-N 3.26Å; Y250-V252 PolarHBondContact O-N 3.02Å; Y250-V252 VanDerWaalsContact O-N 3.1Å
251A39.1Very low41.4Very low106 Ų106147.5 Ų147.588%0.87681%0.805SS**  trans-72.8100.5172.400000109.6G249G249-A251 PolarHBondContact O-N 3.07Å
252V42Very low41.9Very low118 Ų118145.3 Ų145.372%0.71580%0.804SS**  trans-81.1120.7169.2178.40000108.4Y250 H254Y250-V252 PolarHBondContact O-N 3.02Å; Y250-V252 VanDerWaalsContact O-N 3.1Å; V252-H254 PolarHBondContact O-N 2.86Å
253Q37.1Very low42.1Very low185 Ų185139.6 Ų139.686%0.86480%0.795SS**  trans-71.6106.9177.1-171.7170-1.600109.1D255Q253-D255 PolarHBondContact O-N 2.92Å
254H40.7Very low42.6Very low177 Ų177137.3 Ų137.382%0.81979%0.79SS**  trans-79103.5177.8-107.3-82.3000110.5V252V252-H254 PolarHBondContact O-N 2.86Å
255D36.3Very low42.2Very low139 Ų139137.4 Ų137.474%0.74379%0.788SS**  trans-68127.5162.9-121.8-58.9000109.5Q253 V257Q253-D255 PolarHBondContact O-N 2.92Å; D255-V257 PolarHBondContact O-N 3.45Å; D255-V257 VanDerWaalsContact O-N 3.14Å
256S39.8Very low42.3Very low111 Ų111139.6 Ų139.678%0.77679%0.791SS**  trans-86.985.5-170.758.70000111.6
257V44.4Very low41.8Very low121 Ų121140.1 Ų140.173%0.73379%0.787SS**  trans-86.5126.2171.1-167.50000109.6D255 M259D255-V257 PolarHBondContact O-N 3.45Å; D255-V257 VanDerWaalsContact O-N 3.14Å; V257-M259 PolarHBondContact O-N 2.91Å
258P46.7Very low41.6Very low119 Ų119132.7 Ų132.777%0.77378%0.779SS**  trans-71.6114-178.527.5-33.4000111.4T260P258-T260 PolarHBondContact O-N 2.86Å
259M42Very low41.3Very low187 Ų187135.2 Ų135.292%0.92179%0.788SS**PPolyproline II helixtrans-67.8127172.1-76-70.1-158.700111V257V257-M259 PolarHBondContact O-N 2.91Å
260T45.7Very low41.6Very low132 Ų132140.9 Ų140.981%0.8180%0.796SS**PPolyproline II helixtrans-73.6146.817035.60000111.3P258P258-T260 PolarHBondContact O-N 2.86Å
261A45.5Very low41.9Very low103 Ų103136.6 Ų136.685%0.85179%0.794SS**PPolyproline II helixtrans-70136.1-172.900000113.1
262V43.7Very low41.7Very low134 Ų134135 Ų13581%0.81279%0.787SS**PPolyproline II helixtrans-77.9131.2172.2-179.60000109.4
263P48.1Very low41.7Very low110 Ų110141.4 Ų141.471%0.71480%0.8SS**PPolyproline II helixtrans-72148.317629.9-34.4000111.6
264P47.6Very low41.8Very low114 Ų114143.9 Ų143.974%0.7480%0.802SS**PPolyproline II helixtrans-70.5144.5-175.828.5-34.8000113M266P264-M266 PolarHBondContact O-N 3.48Å
265F33.6Very low41.8Very low176 Ų176144.4 Ų144.477%0.77281%0.805SS**PPolyproline II helixtrans-65125.5174.5-173.7-94.9000110.8D267F265-D267 HydrophobicContact CE1-CB 4.25Å
266M43.4Very low42Very low162 Ų162145.3 Ų145.380%0.79881%0.808SS**  trans-103.3115.1170.4-76.2-74.510100109.4P264P264-M266 PolarHBondContact O-N 3.48Å
267D40.1Very low41.9Very low136 Ų136149 Ų14973%0.72781%0.813SS**  trans-78.5137171.7-149.9-56.7000109.6F265F265-D267 HydrophobicContact CE1-CB 4.25Å
268G35.7Very low41.7Very low71 Ų71147.3 Ų147.373%0.73281%0.806SS**  trans-163.687.1-163.800000113.7Q270G268-Q270 PolarHBondContact O-N 3.37Å
269L41.1Very low41.3Very low165 Ų165147.5 Ų147.586%0.86481%0.807SS**  trans-65.7122.9176.5-67.2160.2000112.6
270Q40.6Very low41.1Very low186 Ų186146.5 Ų146.587%0.86980%0.798SS**  178154.8130-90.1-10969.600111.8G268G268-Q270 PolarHBondContact O-N 3.37Å
271P46.1Very low41.2Very low117 Ų117146.3 Ų146.376%0.7680%0.799SS**  trans-90.2140.1-169.935.6-31000112.5
272G36.2Very low41Very low71 Ų71149.8 Ų149.873%0.73280%0.797SS**  trans-161.9109.6173.300000111.6R274G272-R274 PolarHBondContact O-N 2.82Å
273Y42.5Very low40.6Very low253 Ų253150.1 Ų150.199%0.99280%0.8SS**  trans-61.5120.2171.3-85.4-100.5000109.9
274R38.1Very low39.8Very low238 Ų238151.1 Ų151.190%0.89880%0.799SS**  trans-121.9130.3158.9-104.1-165.8172.8-147.8-0.7110G272G272-R274 PolarHBondContact O-N 2.82Å
275Q40.4Very low39.3Very low188 Ų188151.3 Ų151.388%0.87980%0.803SS**PPolyproline II helixtrans-62.1137.6172.4-79.6-99.1-74.600110.7
276I39.8Very low39.8Very low157 Ų157150 Ų15081%0.80580%0.799SS**PPolyproline II helixtrans-65.9129.2162.6-94.564.5000107.7
277Q38.9Very low39.7Very low190 Ų190150 Ų15089%0.88880%0.798SS**PPolyproline II helixtrans-99.5116.5175-168.8160.4500108.9
278S40.7Very low39.7Very low85 Ų85152.8 Ų152.859%0.59480%0.803SS**PPolyproline II helixtrans-73.3133.4-178.252.10000112.1F280S278-F280 PolarHBondContact O-N 3.5Å; S278-F280 VanDerWaalsContact O-N 3.07Å
279P37.7Very low39.8Very low122 Ų122157.6 Ų157.679%0.79281%0.809SS**  trans-83.181.3178.533.6-34.5000112
280F38Very low39.9Very low167 Ų167160.3 Ų160.373%0.73281%0.809SS**  trans-138.2122.2165.8-79.2-76.3000110.6S278S278-F280 PolarHBondContact O-N 3.5Å; S278-F280 VanDerWaalsContact O-N 3.07Å
281P47.8Very low40.8Very low127 Ų127157.1 Ų157.183%0.82580%0.804SS**  trans-83.3123170.531.3-30.3000110.9
282H41Very low40.7Very low177 Ų177156.1 Ų156.182%0.81981%0.806SS**  trans-103.2112.3169.4-80.6-84000111.1
283T35.1Very low41.4Very low141 Ų141159.5 Ų159.587%0.86581%0.812SS**  trans-166146.1155.945.10000107.9
284N32.7Very low41.7Very low130 Ų130153.1 Ų153.170%0.69580%0.8SS**  cis-157.8127.2-21.5175.25.3000104.6
285S35.8Very low41.8Very low118 Ų118152.2 Ų152.283%0.82582%0.82SS**  trans-112.291-178.559.60000111.1Q287S285-Q287 PolarHBondContact O-N 2.87Å
286E43.8Very low41.9Very low149 Ų149150.4 Ų150.470%0.69682%0.817SS**  trans-73.7124.6172.9-77.7-171.275.200112.3
287Q42.9Very low42Very low163 Ų163150.1 Ų150.176%0.76282%0.818SS**  trans46.4109.9141.7-55.8179.72.600119.5S285S285-Q287 PolarHBondContact O-N 2.87Å
288K38.6Very low42.2Very low194 Ų194147.8 Ų147.884%0.84381%0.814SS**  -169.8125.5104.6-108.8172.2176.1171.40115.7
289M38Very low42.3Very low171 Ų171151.5 Ų151.584%0.84283%0.827SS**  trans64.1101130.9-151.4150.9-173.800119.9
290Y44.3Very low42.6Very low222 Ų222153.4 Ų153.487%0.87183%0.829SS**  trans-65.7151.7150.2-68-91.9000111.1
291P57.6Low42.9Very low119 Ų119152.5 Ų152.577%0.77384%0.835SS**  trans-117133.2135.733.6-26.8000110.5
292A45.8Very low42.5Very low97 Ų97154.3 Ų154.380%0.80284%0.836SS**  trans-82.7140.8167.600000110
293V49Very low42.6Very low142 Ų142152.5 Ų152.586%0.86184%0.837SS**  trans-131.3129.6156.6-179.30000107.5
294T50Low43.3Very low119 Ų119153.5 Ų153.573%0.7384%0.835SS**  trans-89.3153.8-17441.30000113.2
295V40.6Very low44.2Very low218 Ų218155.6 Ų155.6100%1.32185%0.848SS**  trans36.10150.3-169.80000117

Retrieved 295 of 295 residues in 60.9 ms (Link to these results)