G4VN20_SCHMA Loading...

Putative aldehyde dehydrogenase

AlphaFold DB , UniProt , Accession G4VN20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 519 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
1M28.2Very low27Very low222 Ų222140.6 Ų140.6100%1.09476%0.758SS**  0108.70-89.5177.6179.200108.3F3M1-F3 HydrophobicContact CB-CD2 4.45Å; M1-F3 HydrophobicContact SD-CE2 4.39Å
2V22.3Very low27.5Very low138 Ų138131.4 Ų131.484%0.83672%0.721SS**  trans-88.2111.5170.2174.40000106
3F27.6Very low28.3Very low178 Ų178126.2 Ų126.278%0.78171%0.706SS**  trans-109.8117.4167.8-92.9-77.1000110.1M1M1-F3 HydrophobicContact CB-CD2 4.45Å; M1-F3 HydrophobicContact SD-CE2 4.39Å
4L24.4Very low28.8Very low159 Ų159123.3 Ų123.383%0.83268%0.684SS**  trans-67.2133.3172.1-76.3149.8000109.9
5Y26.1Very low29.2Very low166 Ų166116.6 Ų116.665%0.65165%0.651SS**  trans-73.3123.1168.2-96.9-95.2000109.9I10Y5-I10 HydrophobicContact CE1-CG1 4.06Å; Y5-I10 HydrophobicContact CE1-CG2 4.44Å
6S26.2Very low29.7Very low112 Ų112113.9 Ų113.978%0.78363%0.634SS**  trans-133.9121.9154.767.90000109
7G26Very low30.2Very low67 Ų67110.8 Ų110.869%0.69162%0.619SS**SBendtrans60.4122.2152.200000118.4
8S26.2Very low30.7Very low122 Ų122110.5 Ų110.585%0.85361%0.61SS**SBendtrans89.2105.4158.4-460000116.7
9K26.5Very low31.1Very low194 Ų194108.8 Ų108.884%0.84360%0.6SS**  trans57.296.2171.9-70.6-174.6176.7-178.20114.8L11K9-L11 VanDerWaalsContact C-N 3.33Å; K9-L11 PolarHBondContact O-N 2.92Å
10I32.9Very low31.5Very low110 Ų110108.4 Ų108.456%0.56460%0.595SS**  trans-67.596.7167.9-55-179000107.6Y5Y5-I10 HydrophobicContact CE1-CG1 4.06Å; Y5-I10 HydrophobicContact CE1-CG2 4.44Å
11L30.2Very low31.8Very low79 Ų79105.4 Ų105.441%0.41458%0.582SS.*  trans-71.3122.3168-85.1168.9000106.8K9 A15 N19K9-L11 VanDerWaalsContact C-N 3.33Å; K9-L11 PolarHBondContact O-N 2.92Å; L11-A15 HydrophobicContact CB-CB 3.4Å; L11-A15 HydrophobicContact CD1-CB 4.22Å; L11-A15 HydrophobicContact CD2-CB 3.4Å; L11-A15 HydrophobicContact CG-CB 3.8Å; L11-N19 WeakPolarHBondContact CD1-ND2 3.49Å
12G33.1Very low32.2Very low30 Ų30103.2 Ų103.231%0.30957%0.566SS.*  trans-52.8162.7177.900000111.5Q14 A15 I16G12-Q14 CarbonylContact O-C 3.45Å; G12-Q14 PolarHBondContact O-N 3.44Å; G12-A15 WeakPolarHBondContact O-CA 3.49Å; G12-A15 PolarHBondContact O-N 3.02Å; G12-I16 PolarHBondContact O-N 2.8Å
13A38Very low32.9Very low64 Ų64105.8 Ų105.853%0.52957%0.567SS.*Hα-helixtrans-45-40-172.500000113.9A15 I16 T17A13-A15 VanDerWaalsContact C-N 3.32Å; A13-A15 PolarHBondContact O-N 3.36Å; A13-I16 PolarHBondContact O-N 2.65Å; A13-T17 PolarHBondContact O-N 3.14Å; A13-T17 VanDerWaalsContact O-N 3.12Å; A13-T17 PolarHBondContact O-OG1 3.35Å
14Q35.6Very low33.6Very low85 Ų85103.6 Ų103.640%0.39756%0.562SS.*Hα-helixtrans-58.1-36.7173.4-79.9-171.1-29.300114.7G12 K18G12-Q14 CarbonylContact O-C 3.45Å; G12-Q14 PolarHBondContact O-N 3.44Å; Q14-K18 WeakPolarHBondContact O-CB 3.42Å; Q14-K18 PolarHBondContact O-N 3.5Å
15A34.7Very low34.4Very low23 Ų2399.4 Ų99.419%0.1956%0.558CS.*Hα-helixtrans-85-18.6-179.500000113.3L11 G12 A13 N19L11-A15 HydrophobicContact CB-CB 3.4Å; L11-A15 HydrophobicContact CD1-CB 4.22Å; L11-A15 HydrophobicContact CD2-CB 3.4Å; L11-A15 HydrophobicContact CG-CB 3.8Å; G12-A15 WeakPolarHBondContact O-CA 3.49Å; G12-A15 PolarHBondContact O-N 3.02Å; A13-A15 VanDerWaalsContact C-N 3.32Å; A13-A15 PolarHBondContact O-N 3.36Å; A15-N19 VanDerWaalsContact O-CB 3.27Å; A15-N19 WeakPolarHBondContact O-CB 3.37Å; A15-N19 PolarHBondContact O-N 2.93Å
16I36.6Very low35.6Very low74 Ų7496.7 Ų96.738%0.37956%0.558SS.*Hα-helixtrans-68.6-46163-63.1174000109.5G12 A13 N19 I20G12-I16 PolarHBondContact O-N 2.8Å; A13-I16 PolarHBondContact O-N 2.65Å; I16-N19 PolarHBondContact O-N 2.74Å; I16-I20 HydrophobicContact CG2-CD1 3.89Å; I16-I20 VanDerWaalsContact O-CG1 3.29Å; I16-I20 WeakPolarHBondContact O-CG1 3.42Å; I16-I20 PolarHBondContact O-N 3.02Å
17T39.7Very low37.9Very low60 Ų6095.5 Ų95.537%0.36855%0.546SS..Hα-helixtrans-65.5-42.2175.6-5.50000112.1A13 N19 I20 C21 N138A13-T17 PolarHBondContact O-N 3.14Å; A13-T17 VanDerWaalsContact O-N 3.12Å; A13-T17 PolarHBondContact O-OG1 3.35Å; T17-N19 VanDerWaalsContact C-N 3.35Å; T17-N19 PolarHBondContact O-N 3.05Å; T17-I20 PolarHBondContact O-N 2.91Å; T17-C21 PolarHBondContact O-N 3.01Å; T17-N138 HydrophobicContact CG2-CB 4.29Å
18K39Very low41Very low106 Ų10694.7 Ų94.746%0.46153%0.528SS..Hα-helixtrans-62.6-38.6176.4-115.4176.4176.3176.60112.5Q14 K22Q14-K18 WeakPolarHBondContact O-CB 3.42Å; Q14-K18 PolarHBondContact O-N 3.5Å; K18-K22 PolarHBondContact O-N 3.22Å; K18-K22 VanDerWaalsContact O-N 3.11Å
19N37.4Very low44.3Very low78 Ų7894.4 Ų94.442%0.41751%0.513SS..Hα-helixtrans-75.3-32.8179.4-84.2-13.3000113.4L11 A15 I16 T17 K22 F23L11-N19 WeakPolarHBondContact CD1-ND2 3.49Å; A15-N19 VanDerWaalsContact O-CB 3.27Å; A15-N19 WeakPolarHBondContact O-CB 3.37Å; A15-N19 PolarHBondContact O-N 2.93Å; I16-N19 PolarHBondContact O-N 2.74Å; T17-N19 VanDerWaalsContact C-N 3.35Å; T17-N19 PolarHBondContact O-N 3.05Å; N19-K22 PolarHBondContact O-N 3.28Å; N19-F23 PolarHBondContact O-N 2.59Å; N19-F23 VanDerWaalsContact O-N 3.1Å
20I39.3Very low47.7Very low100 Ų10085.9 Ų85.951%0.51348%0.478SS..Hα-helixtrans-65.7-42.7174.8-68.7167.9000110.4I16 T17 K22 F23I16-I20 HydrophobicContact CG2-CD1 3.89Å; I16-I20 VanDerWaalsContact O-CG1 3.29Å; I16-I20 WeakPolarHBondContact O-CG1 3.42Å; I16-I20 PolarHBondContact O-N 3.02Å; T17-I20 PolarHBondContact O-N 2.91Å; I20-K22 VanDerWaalsContact C-N 3.35Å; I20-K22 PolarHBondContact O-N 3.38Å; I20-F23 PolarHBondContact O-N 3.02Å
21C37.6Very low50.8Low47 Ų4784.1 Ų84.132%0.31847%0.469SS..Hα-helixtrans-67.4-33175.4-70.90000113.1T17 F23T17-C21 PolarHBondContact O-N 3.01Å; C21-F23 VanDerWaalsContact C-N 3.34Å
22K36.6Very low54Low176 Ų17685.6 Ų85.677%0.76548%0.477SS*.Hα-helixtrans-70-28.9176.2-121.9178.6-179-179.50113.3K18 N19 I20K18-K22 PolarHBondContact O-N 3.22Å; K18-K22 VanDerWaalsContact O-N 3.11Å; N19-K22 PolarHBondContact O-N 3.28Å; I20-K22 VanDerWaalsContact C-N 3.35Å; I20-K22 PolarHBondContact O-N 3.38Å
23F38.2Very low57Low191 Ų19193.3 Ų93.384%0.83850%0.502SS*.Hα-helixtrans-80.7-13.6-177-120.9-91.7000114.2N19 I20 C21N19-F23 PolarHBondContact O-N 2.59Å; N19-F23 VanDerWaalsContact O-N 3.1Å; I20-F23 PolarHBondContact O-N 3.02Å; C21-F23 VanDerWaalsContact C-N 3.34Å
24L42.4Very low59.8Low133 Ų13390.7 Ų90.770%0.69648%0.479SS*.THydrogen-bonded Turntrans-107.53.1-177.2-72169.9000114.8T26L24-T26 PolarHBondContact O-N 3.25Å
25G39.6Very low62.8Low71 Ų7193.3 Ų93.373%0.73249%0.491SS*.SBendtrans68.13166.200000117
26T52.7Low65.8Low108 Ų10894.3 Ų94.366%0.66349%0.493SS*.  trans-131.496.7172.5530000109.9L24 V28L24-T26 PolarHBondContact O-N 3.25Å; T26-V28 PolarHBondContact O-N 3.44Å
27T73.6Confident68.6Low87 Ų8794.8 Ų94.853%0.53449%0.492SS..PPolyproline II helixtrans-66.9120.3161.441.10000107.6E29T27-E29 PolarHBondContact O-N 2.86Å; T27-E29 PolarHBondContact OG1-OE1 2.74Å
28V91.7Very high71.4Confident50 Ų5095.8 Ų95.830%0.30349%0.489SS..PPolyproline II helixtrans-68.5119.7173.5175.80000107.6T26 V119 F133 Y137T26-V28 PolarHBondContact O-N 3.44Å; V28-V119 HydrophobicContact CG1-CG1 4.39Å; V28-V119 HydrophobicContact CG1-CG2 3.61Å; V28-F133 HydrophobicContact CG1-CZ 4.29Å; V28-Y137 HydrophobicContact CB-CE1 4.35Å; V28-Y137 HydrophobicContact CG1-CD2 4.28Å; V28-Y137 HydrophobicContact CG1-CE1 4.46Å; V28-Y137 HydrophobicContact CG1-CE2 3.84Å; V28-Y137 HydrophobicContact CG2-CE1 4.04Å
29E95Very high74.2Confident116 Ų11693.5 Ų93.554%0.54248%0.482SS..PPolyproline II helixtrans-85.2137-180-66.3-60.4144.500111T27T27-E29 PolarHBondContact O-N 2.86Å; T27-E29 PolarHBondContact OG1-OE1 2.74Å
30P97.5Very high77.1Confident16 Ų1690.3 Ų90.310%0.10447%0.466CS..PPolyproline II helixtrans-71.4155.8175.527.7-32.8000112.6L32 F133 F354P30-L32 HydrophobicContact CB-CD2 4.49Å; P30-L32 HydrophobicContact CG-CD2 3.91Å; P30-L32 PolarHBondContact O-N 3.48Å; P30-F133 HydrophobicContact CB-CB 4.4Å; P30-F133 HydrophobicContact CB-CD1 3.81Å; P30-F133 HydrophobicContact CB-CD2 3.66Å; P30-F133 HydrophobicContact CB-CE1 3.91Å; P30-F133 HydrophobicContact CB-CE2 3.76Å; P30-F133 HydrophobicContact CB-CG 3.67Å; P30-F133 HydrophobicContact CB-CZ 3.88Å; P30-F133 HydrophobicContact CG-CD1 4.14Å; P30-F133 HydrophobicContact CG-CE1 4.39Å; P30-F133 HydrophobicContact CG-CG 4.32Å; P30-F354 HydrophobicContact CB-CD1 3.59Å; P30-F354 HydrophobicContact CB-CE1 4.03Å; P30-F354 HydrophobicContact CG-CD1 4.01Å
31I98.2Very high79.9Confident73 Ų7385.5 Ų85.537%0.37444%0.441SS..  trans-85.1106.1162.5-54.3171.9000106.8K33 P34 V119 Y120 S123I31-K33 PolarHBondContact O-N 3.49Å; I31-P34 HydrophobicContact CB-CB 4.45Å; I31-P34 HydrophobicContact CG2-CB 4.19Å; I31-P34 WeakPolarHBondContact O-CD 3.33Å; I31-V119 HydrophobicContact CG1-CG1 4.27Å; I31-Y120 HydrophobicContact CD1-CD2 4.34Å; I31-S123 PolarHBondContact N-OG 2.91Å; I31-S123 WeakPolarHBondContact O-CB 3.49Å
32L97.3Very high82.8Confident110 Ų11083.3 Ų83.358%0.57643%0.426SS*.SBendtrans-66-23.9-173.7-59.5-179.7000114.3P30 F354P30-L32 HydrophobicContact CB-CD2 4.49Å; P30-L32 HydrophobicContact CG-CD2 3.91Å; P30-L32 PolarHBondContact O-N 3.48Å; L32-F354 HydrophobicContact CD2-CB 3.6Å; L32-F354 HydrophobicContact CD2-CD1 3.99Å; L32-F354 HydrophobicContact CD2-CG 3.86Å
33K96.4Very high85.8Confident192 Ų19275.6 Ų75.684%0.83539%0.393SS*.SBendtrans-137.371.5178.4-63.9-175.6-177.8-179.50108.5I31 E35I31-K33 PolarHBondContact O-N 3.49Å; K33-E35 PolarHBondContact O-N 3.3Å
34P97.4Very high88.7Confident9 Ų969.7 Ų69.76%0.05837%0.37CS..  trans-61.4134.3-179.928.5-32.3000109I31 I36 Y120 L124 L127I31-P34 HydrophobicContact CB-CB 4.45Å; I31-P34 HydrophobicContact CG2-CB 4.19Å; I31-P34 WeakPolarHBondContact O-CD 3.33Å; P34-I36 PolarHBondContact O-N 3.05Å; P34-Y120 HydrophobicContact CB-CD2 4.07Å; P34-Y120 HydrophobicContact CB-CE2 3.87Å; P34-L124 HydrophobicContact CG-CB 4.5Å; P34-L124 HydrophobicContact CG-CD1 4.34Å; P34-L127 HydrophobicContact CG-CB 4.38Å; P34-L127 HydrophobicContact CG-CD2 3.87Å
35E97.2Very high91.4Very high139 Ų13964 Ų6465%0.6534%0.341SS*.  trans-63.6129.7175-178.5-173.7-170.500109.7K33 K37 Y120K33-E35 PolarHBondContact O-N 3.3Å; E35-K37 HydrophobicContact CG-CG 4.34Å; E35-K37 PolarHBondContact O-N 3.01Å; E35-Y120 VanDerWaalsContact O-CE2 3.29Å; E35-Y120 WeakPolarHBondContact O-CE2 3.39Å; E35-Y120 PolarHBondContact O-OH 3.39Å
36I98.2Very high94.2Very high44 Ų4465.6 Ų65.623%0.22633%0.329CS..  trans-83.1102.8176.1-49.9-48.4000108.8P34 N39 I67 L124 L127 L218P34-I36 PolarHBondContact O-N 3.05Å; I36-N39 HydrophobicContact CG2-CB 4.3Å; I36-I67 HydrophobicContact CD1-CG2 3.98Å; I36-I67 HydrophobicContact CG1-CG2 3.92Å; I36-L124 HydrophobicContact CD1-CD1 3.44Å; I36-L124 VanDerWaalsContact CD1-CD1 3.44Å; I36-L127 HydrophobicContact CD1-CD2 4.14Å; I36-L218 HydrophobicContact CD1-CD1 3.87Å; I36-L218 HydrophobicContact CG1-CD1 4.4Å; I36-L218 HydrophobicContact CG2-CD1 4.39Å; I36-L218 HydrophobicContact CG2-CD2 3.98Å
37K96.7Very high96.4Very high85 Ų8562.9 Ų62.937%0.3731%0.307SS..  trans-86.5-26.2-175.1-64.3175.4-177.7175.50113.3E35 W222E35-K37 HydrophobicContact CG-CG 4.34Å; E35-K37 PolarHBondContact O-N 3.01Å; K37-W222 HydrophobicContact CB-CE3 3.9Å; K37-W222 HydrophobicContact CB-CH2 4.39Å; K37-W222 HydrophobicContact CB-CZ3 3.53Å; K37-W222 HydrophobicContact CD-CE3 4.07Å; K37-W222 HydrophobicContact CD-CH2 3.37Å; K37-W222 HydrophobicContact CD-CZ2 4.04Å; K37-W222 HydrophobicContact CD-CZ3 3.38Å; K37-W222 HydrophobicContact CG-CZ3 4.1Å
38R97.8Very high97.6Very high81 Ų8161.3 Ų61.331%0.30630%0.297SS..  trans-141.9118.7-172.3-60.9-58.3-175.3-134.16.3111.6W47 N221 W222 E225R38-W47 HydrophobicContact CB-CD2 4.44Å; R38-W47 HydrophobicContact CB-CE3 4.31Å; R38-W47 HydrophobicContact CB-CH2 3.58Å; R38-W47 HydrophobicContact CB-CZ2 3.67Å; R38-W47 HydrophobicContact CB-CZ3 3.89Å; R38-W47 VanDerWaalsContact CD-NE1 3.33Å; R38-W47 HydrophobicContact CG-CD2 4.34Å; R38-W47 HydrophobicContact CG-CH2 3.98Å; R38-W47 HydrophobicContact CG-CZ2 3.5Å; R38-W47 VanDerWaalsContact NE-NE1 3.11Å; R38-N221 HydrophobicContact CB-CB 4.16Å; R38-W222 HydrophobicContact CG-CE3 3.92Å; R38-W222 HydrophobicContact CG-CZ3 4.13Å; R38-E225 IonicContact CZ-OE1 2.83Å; R38-E225 IonicContact CZ-OE2 3.14Å; R38-E225 IonicContact NE-OE1 3.25Å; R38-E225 IonicContact NE-OE2 2.88Å; R38-E225 PolarHBondContact NE-OE2 3Å; R38-E225 IonicContact NH2-OE1 3.41Å; R38-E225 PolarHBondContact NH2-OE1 3.04Å; R38-E225 IonicContact NH2-OE2 3.49Å; R38-E225 PolarHBondContact NH2-OE2 3.22Å; R38-E225 VanDerWaalsContact NH2-OE2 3.14Å
39N97.7Very high97.9Very high57 Ų5764 Ų6431%0.30531%0.306SS..  trans-14114.6-176.764.8-29.1000113.2I36 Q69 V70 S71I36-N39 HydrophobicContact CG2-CB 4.3Å; N39-Q69 WeakPolarHBondContact CB-O 3.18Å; N39-Q69 PolarHBondContact ND2-O 3.41Å; N39-V70 HydrophobicContact CB-CG2 4.35Å; N39-V70 CarbonylContact O-C 3.39Å; N39-V70 WeakPolarHBondContact O-CA 3.3Å; N39-V70 WeakPolarHBondContact O-CG1 3.27Å; N39-S71 PolarHBondContact O-N 3.01Å
40S98.1Very high98Very high11 Ų1158.8 Ų58.88%0.07728%0.283CS..SBendtrans-113.1-166.7-179.4-44.40000111.9W47 V48 E49 S71S40-W47 VanDerWaalsContact O-CZ3 3.26Å; S40-W47 WeakPolarHBondContact O-CZ3 3.29Å; S40-V48 VanDerWaalsContact CB-O 3.3Å; S40-V48 WeakPolarHBondContact CB-O 3.44Å; S40-E49 PolarHBondContact OG-OE1 2.91Å; S40-S71 VanDerWaalsContact CA-OG 3.24Å; S40-S71 WeakPolarHBondContact CA-OG 3.48Å; S40-S71 VanDerWaalsContact CB-OG 3.27Å; S40-S71 WeakPolarHBondContact CB-OG 3.34Å; S40-S71 PolarHBondContact OG-OG 3.47Å
41I98.8Very high98.1Very high0 Ų060.5 Ų60.50%030%0.295CS..EExtended strand (participates in β ladder)trans-86.7140.2178.2-60.2175000109.4I43 W47 V48 D77 V240 P241I41-I43 HydrophobicContact CG2-CD1 3.65Å; I41-I43 HydrophobicContact CG2-CG1 3.83Å; I41-W47 CarbonylContact O-C 3.6Å; I41-W47 WeakPolarHBondContact O-CA 3.28Å; I41-V48 HydrophobicContact CB-CG2 4.01Å; I41-V48 WeakPolarHBondContact CB-O 3.45Å; I41-V48 HydrophobicContact CG2-CG2 4.15Å; I41-V48 PolarHBondContact N-O 3.44Å; I41-V48 PolarHBondContact O-N 3.31Å; I41-D77 HydrophobicContact CD1-CB 3.7Å; I41-V240 HydrophobicContact CD1-CG1 4.37Å; I41-V240 HydrophobicContact CG2-CB 4.48Å; I41-V240 HydrophobicContact CG2-CG1 4.46Å; I41-V240 HydrophobicContact CG2-CG2 4.01Å; I41-P241 HydrophobicContact CG1-CG 4.43Å
42F98.9Very high98Very high0 Ų060 Ų600%030%0.298CS..EExtended strand (participates in β ladder)trans-108.7110.2178.8-176-100.8000110.9N45 E46 W47 A224 K228 V237 N238 I239F42-N45 VanDerWaalsContact CZ-CA 3.49Å; F42-N45 HydrophobicContact CZ-CB 4.23Å; F42-E46 WeakPolarHBondContact CA-O 3.43Å; F42-W47 HydrophobicContact CB-CE3 4.29Å; F42-W47 HydrophobicContact CB-CH2 4.05Å; F42-W47 HydrophobicContact CB-CZ2 4.36Å; F42-W47 HydrophobicContact CB-CZ3 4.04Å; F42-W47 HydrophobicContact CD2-CD2 4.06Å; F42-W47 AromaticContact CD2-CE2 3.57Å; F42-W47 HydrophobicContact CD2-CH2 4.25Å; F42-W47 AromaticContact CD2-CZ2 3.7Å; F42-W47 HydrophobicContact CD2-CZ2 3.7Å; F42-W47 AromaticContact CD2-NE1 3.8Å; F42-W47 HydrophobicContact CE2-CZ2 4.35Å; F42-W47 HydrophobicContact CG-CH2 4.5Å; F42-W47 HydrophobicContact CG-CZ2 4.36Å; F42-A224 HydrophobicContact CB-CB 4.03Å; F42-A224 HydrophobicContact CD1-CB 3.64Å; F42-A224 HydrophobicContact CD2-CB 3.88Å; F42-A224 HydrophobicContact CE1-CB 3.92Å; F42-A224 HydrophobicContact CE2-CB 4.13Å; F42-A224 HydrophobicContact CG-CB 3.58Å; F42-A224 HydrophobicContact CZ-CB 4.12Å; F42-A224 WeakPolarHBondContact CZ-O 3.47Å; F42-K228 HydrophobicContact CE2-CB 4.45Å; F42-K228 HydrophobicContact CZ-CB 4.21Å; F42-V237 WeakPolarHBondContact CE1-O 3.45Å; F42-N238 CarbonylContact O-C 3.42Å; F42-N238 WeakPolarHBondContact O-CA 3.49Å; F42-I239 HydrophobicContact CB-CB 4.22Å; F42-I239 PolarHBondContact N-O 2.73Å; F42-I239 PolarHBondContact O-N 3.46Å
43I98.9Very high98.1Very high14 Ų1457.3 Ų57.37%0.07230%0.297CS..EExtended strand (participates in β ladder)trans-137134.8179.9-66.4167.3000109I41 N45 E46 V48 K80 A81 A84 N238I41-I43 HydrophobicContact CG2-CD1 3.65Å; I41-I43 HydrophobicContact CG2-CG1 3.83Å; I43-N45 VanDerWaalsContact C-N 3.27Å; I43-N45 PolarHBondContact O-N 3.01Å; I43-E46 PolarHBondContact N-O 3.3Å; I43-E46 PolarHBondContact O-N 3.06Å; I43-V48 HydrophobicContact CD1-CG2 4.32Å; I43-K80 HydrophobicContact CD1-CB 3.97Å; I43-A81 HydrophobicContact CD1-CB 3.95Å; I43-A81 HydrophobicContact CG1-CB 3.93Å; I43-A84 HydrophobicContact CG2-CB 3.68Å; I43-N238 HydrophobicContact CG1-CB 4.35Å
44N98.8Very high98.1Very high67 Ų6754.7 Ų54.736%0.35829%0.286SS..THydrogen-bonded Turntrans53.739.6-179.5-78.4-38.3000114.1E46 A84 P234 G235 N238N44-E46 PolarHBondContact O-N 3.33Å; N44-A84 WeakPolarHBondContact ND2-CB 3.45Å; N44-A84 WeakPolarHBondContact OD1-CB 3.19Å; N44-P234 HydrophobicContact CB-CB 4.2Å; N44-G235 WeakPolarHBondContact OD1-CA 3.29Å; N44-G235 PolarHBondContact OD1-N 3.48Å; N44-N238 PolarHBondContact N-OD1 2.89Å
45N98.8Very high98.2Very high13 Ų1357.4 Ų57.47%0.0730%0.302CS..THydrogen-bonded Turntrans60.518.3-174.9-64.6-3.3000114.7F42 I43 K228 F232F42-N45 VanDerWaalsContact CZ-CA 3.49Å; F42-N45 HydrophobicContact CZ-CB 4.23Å; I43-N45 VanDerWaalsContact C-N 3.27Å; I43-N45 PolarHBondContact O-N 3.01Å; N45-K228 HydrophobicContact CB-CB 4.29Å; N45-K228 HydrophobicContact CB-CD 4.22Å; N45-K228 HydrophobicContact CB-CG 4.04Å; N45-K228 VanDerWaalsContact O-CD 3.29Å; N45-K228 WeakPolarHBondContact O-CD 3.4Å; N45-K228 VanDerWaalsContact O-CE 3.3Å; N45-K228 WeakPolarHBondContact O-CE 3.21Å; N45-K228 PolarHBondContact O-NZ 3.01Å; N45-F232 PolarHBondContact ND2-O 2.83Å
46E98.8Very high98.3Very high106 Ų10651.4 Ų51.450%0.49527%0.274SS..EExtended strand (participates in β ladder)trans-122.4148.3178-64.6-56.5143.500111.1F42 I43 N44 K228F42-E46 WeakPolarHBondContact CA-O 3.43Å; I43-E46 PolarHBondContact N-O 3.3Å; I43-E46 PolarHBondContact O-N 3.06Å; N44-E46 PolarHBondContact O-N 3.33Å; E46-K228 IonicContact OE1-NZ 3.58Å; E46-K228 PolarHBondContact OE1-NZ 3.11Å; E46-K228 IonicContact OE2-NZ 3.96Å
47W98.6Very high98.3Very high50 Ų5053.2 Ų53.219%0.18928%0.284CS..EExtended strand (participates in β ladder)trans-91.8124.2175.6-67.493.1000109.5R38 S40 I41 F42 N221 A224 E225R38-W47 HydrophobicContact CB-CD2 4.44Å; R38-W47 HydrophobicContact CB-CE3 4.31Å; R38-W47 HydrophobicContact CB-CH2 3.58Å; R38-W47 HydrophobicContact CB-CZ2 3.67Å; R38-W47 HydrophobicContact CB-CZ3 3.89Å; R38-W47 VanDerWaalsContact CD-NE1 3.33Å; R38-W47 HydrophobicContact CG-CD2 4.34Å; R38-W47 HydrophobicContact CG-CH2 3.98Å; R38-W47 HydrophobicContact CG-CZ2 3.5Å; R38-W47 VanDerWaalsContact NE-NE1 3.11Å; S40-W47 VanDerWaalsContact O-CZ3 3.26Å; S40-W47 WeakPolarHBondContact O-CZ3 3.29Å; I41-W47 CarbonylContact O-C 3.6Å; I41-W47 WeakPolarHBondContact O-CA 3.28Å; F42-W47 HydrophobicContact CB-CE3 4.29Å; F42-W47 HydrophobicContact CB-CH2 4.05Å; F42-W47 HydrophobicContact CB-CZ2 4.36Å; F42-W47 HydrophobicContact CB-CZ3 4.04Å; F42-W47 HydrophobicContact CD2-CD2 4.06Å; F42-W47 AromaticContact CD2-CE2 3.57Å; F42-W47 HydrophobicContact CD2-CH2 4.25Å; F42-W47 AromaticContact CD2-CZ2 3.7Å; F42-W47 HydrophobicContact CD2-CZ2 3.7Å; F42-W47 AromaticContact CD2-NE1 3.8Å; F42-W47 HydrophobicContact CE2-CZ2 4.35Å; F42-W47 HydrophobicContact CG-CH2 4.5Å; F42-W47 HydrophobicContact CG-CZ2 4.36Å; W47-N221 HydrophobicContact CH2-CB 3.64Å; W47-N221 WeakPolarHBondContact CH2-O 3.26Å; W47-N221 VanDerWaalsContact CZ2-O 3.26Å; W47-N221 WeakPolarHBondContact CZ2-O 3.37Å; W47-N221 HydrophobicContact CZ3-CB 4.04Å; W47-A224 HydrophobicContact CH2-CB 4.02Å; W47-A224 HydrophobicContact CZ2-CB 3.98Å; W47-E225 PolarHBondContact NE1-OE2 3.36Å
48V98.3Very high98.4Very high55 Ų5549.2 Ų49.233%0.33327%0.267SS..EExtended strand (participates in β ladder)trans-132.4147.5-177.2-60.10000110.6S40 I41 I43S40-V48 VanDerWaalsContact CB-O 3.3Å; S40-V48 WeakPolarHBondContact CB-O 3.44Å; I41-V48 HydrophobicContact CB-CG2 4.01Å; I41-V48 WeakPolarHBondContact CB-O 3.45Å; I41-V48 HydrophobicContact CG2-CG2 4.15Å; I41-V48 PolarHBondContact N-O 3.44Å; I41-V48 PolarHBondContact O-N 3.31Å; I43-V48 HydrophobicContact CD1-CG2 4.32Å
49E98.2Very high98.4Very high106 Ų10647.6 Ų47.650%0.49526%0.264SS..  trans-71.6159.2171-67.3-53.9135.100111.6S40 S71S40-E49 PolarHBondContact OG-OE1 2.91Å; E49-S71 PolarHBondContact OE2-OG 2.92Å
50S98.2Very high98.5Very high6 Ų645.9 Ų45.94%0.04226%0.255CS..  trans-59145.8173.668.10000110.6S52 G53 K54 A72S50-S52 PolarHBondContact O-N 2.95Å; S50-G53 PolarHBondContact O-N 3.03Å; S50-G53 WeakPolarHBondContact OG-CA 3.12Å; S50-G53 PolarHBondContact OG-N 3.47Å; S50-K54 PolarHBondContact OG-N 3.17Å; S50-K54 PolarHBondContact OG-O 3.46Å; S50-A72 VanDerWaalsContact CB-O 3.24Å; S50-A72 WeakPolarHBondContact CB-O 3.42Å
51S98.2Very high98.5Very high52 Ų5245.4 Ų45.436%0.36425%0.251SS..THydrogen-bonded Turntrans-59.2-24.3179.9-64.10000112.9D77 K80S51-D77 VanDerWaalsContact CB-OD1 3.27Å; S51-D77 WeakPolarHBondContact CB-OD1 3.12Å; S51-D77 PolarHBondContact N-OD1 3.06Å; S51-D77 PolarHBondContact N-OD2 2.62Å; S51-D77 PolarHBondContact OG-OD1 2.78Å; S51-K80 WeakPolarHBondContact OG-CE 3.43Å; S51-K80 PolarHBondContact OG-NZ 3.46Å
52S97.6Very high98.5Very high63 Ų6346.1 Ų46.144%0.44126%0.257SS..THydrogen-bonded Turntrans-90.2-11.717767.20000113.9S50 K54S50-S52 PolarHBondContact O-N 2.95Å; S52-K54 PolarHBondContact O-N 3.04Å; S52-K54 WeakPolarHBondContact OG-CB 3.4Å; S52-K54 WeakPolarHBondContact OG-CG 3.48Å; S52-K54 PolarHBondContact OG-N 2.87Å
53G97.7Very high98.4Very high54 Ų5449 Ų4956%0.55728%0.275SS*.  trans69.33.3-168.800000114.3S50S50-G53 PolarHBondContact O-N 3.03Å; S50-G53 WeakPolarHBondContact OG-CA 3.12Å; S50-G53 PolarHBondContact OG-N 3.47Å
54K98.3Very high98.3Very high137 Ų13750 Ų5060%0.59629%0.288SS*.  trans-73.6149.4177.1-66.4178.6-178.91780111.2S50 S52 A72S50-K54 PolarHBondContact OG-N 3.17Å; S50-K54 PolarHBondContact OG-O 3.46Å; S52-K54 PolarHBondContact O-N 3.04Å; S52-K54 WeakPolarHBondContact OG-CB 3.4Å; S52-K54 WeakPolarHBondContact OG-CG 3.48Å; S52-K54 PolarHBondContact OG-N 2.87Å; K54-A72 HydrophobicContact CB-CB 4.04Å; K54-A72 WeakPolarHBondContact O-CB 3.39Å; K54-A72 PolarHBondContact O-N 3.39Å
55T98.7Very high98.3Very high66 Ų6653.9 Ų53.941%0.40530%0.302SS..EExtended strand (participates in β ladder)trans-127.2167.1172.1590000110.4Q69 V70T55-Q69 HydrophobicContact CG2-CB 4.3Å; T55-Q69 PolarHBondContact OG1-OE1 3.34Å; T55-V70 CarbonylContact C-O 3.5Å; T55-V70 WeakPolarHBondContact CA-O 3.4Å; T55-V70 VanDerWaalsContact CB-O 3.29Å; T55-V70 WeakPolarHBondContact CB-O 3.49Å
56F98.6Very high98.3Very high13 Ų1356.7 Ų56.76%0.05732%0.319CS..EExtended strand (participates in β ladder)trans-134.2155.4168.365.5-89.3000110.9Q69 V70 A72 E214 P217 P241 F243F56-Q69 CarbonylContact O-C 3.55Å; F56-Q69 WeakPolarHBondContact O-CA 3.24Å; F56-V70 HydrophobicContact CD1-CB 4.46Å; F56-V70 WeakPolarHBondContact CD1-O 3.26Å; F56-V70 HydrophobicContact CD2-CB 4.49Å; F56-V70 HydrophobicContact CE1-CB 3.98Å; F56-V70 HydrophobicContact CE1-CG1 3.89Å; F56-V70 HydrophobicContact CE2-CB 3.98Å; F56-V70 HydrophobicContact CE2-CG1 4.35Å; F56-V70 HydrophobicContact CZ-CB 3.72Å; F56-V70 HydrophobicContact CZ-CG1 3.64Å; F56-V70 PolarHBondContact N-O 3.5Å; F56-V70 PolarHBondContact O-N 2.95Å; F56-A72 HydrophobicContact CD1-CB 3.82Å; F56-E214 HydrophobicContact CE2-CB 4.11Å; F56-E214 VanDerWaalsContact CE2-O 3.23Å; F56-E214 WeakPolarHBondContact CE2-O 3.32Å; F56-E214 HydrophobicContact CZ-CB 4.43Å; F56-P217 HydrophobicContact CE2-CG 4.32Å; F56-P217 HydrophobicContact CZ-CG 4.32Å; F56-P241 HydrophobicContact CE1-CB 4.34Å; F56-P241 HydrophobicContact CZ-CB 4.17Å; F56-F243 HydrophobicContact CB-CE2 3.83Å; F56-F243 HydrophobicContact CB-CZ 3.69Å; F56-F243 HydrophobicContact CD1-CE2 4.22Å; F56-F243 HydrophobicContact CD2-CZ 4.48Å; F56-F243 HydrophobicContact CG-CE2 4.09Å; F56-F243 HydrophobicContact CG-CZ 4.01Å
57D98.6Very high98.2Very high81 Ų8153.5 Ų53.543%0.43331%0.305SS..EExtended strand (participates in β ladder)trans-78.6129.7179.2-61.733000109.8I59 V66 Q69D57-I59 HydrophobicContact CB-CD1 3.9Å; D57-V66 HydrophobicContact CB-CG1 4.03Å; D57-V66 HydrophobicContact CB-CG2 4.16Å; D57-V66 WeakPolarHBondContact OD2-CG2 3.31Å; D57-Q69 PolarHBondContact OD1-NE2 3.06Å; D57-Q69 PolarHBondContact OD1-OE1 3.26Å
58T98.4Very high98.2Very high1 Ų152.3 Ų52.31%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-98.8135.8158.3-168.40000109.4I67 C68 V70 D128 Q215 L218T58-I67 HydrophobicContact CG2-CB 4.08Å; T58-I67 HydrophobicContact CG2-CD1 4.37Å; T58-I67 PolarHBondContact O-N 3.42Å; T58-C68 PolarHBondContact N-O 2.95Å; T58-C68 VanDerWaalsContact N-O 3.09Å; T58-V70 HydrophobicContact CG2-CG2 3.99Å; T58-D128 WeakPolarHBondContact CG2-OD1 3.13Å; T58-D128 PolarHBondContact OG1-OD1 3.22Å; T58-Q215 PolarHBondContact OG1-O 2.88Å; T58-L218 HydrophobicContact CG2-CD1 3.72Å; T58-L218 HydrophobicContact CG2-CD2 4.12Å; T58-L218 HydrophobicContact CG2-CG 3.95Å
59I98.6Very high98.2Very high47 Ų4753 Ų5324%0.24130%0.304CS..EExtended strand (participates in β ladder)trans-112.1138.3-166-55.6-58.9000109.4D57 P61 V66 Y398D57-I59 HydrophobicContact CB-CD1 3.9Å; I59-P61 WeakPolarHBondContact O-CD 3.41Å; I59-V66 HydrophobicContact CD1-CB 4.22Å; I59-V66 HydrophobicContact CD1-CG2 3.66Å; I59-Y398 HydrophobicContact CG2-CE2 4.43Å
60N98.6Very high98.3Very high22 Ų2248 Ų4812%0.11828%0.28CS..EExtended strand (participates in β ladder)trans-79.5109.4167.4175-17.3000108.9A62 T63 G64 K65 I67 L127N60-A62 PolarHBondContact O-N 2.76Å; N60-A62 VanDerWaalsContact O-N 3.14Å; N60-A62 VanDerWaalsContact OD1-CB 3.3Å; N60-A62 WeakPolarHBondContact OD1-CB 3.32Å; N60-A62 PolarHBondContact OD1-N 3.12Å; N60-T63 PolarHBondContact O-N 2.92Å; N60-T63 PolarHBondContact O-OG1 3.01Å; N60-G64 PolarHBondContact O-N 3.4Å; N60-K65 PolarHBondContact N-O 3.31Å; N60-I67 HydrophobicContact CB-CD1 3.95Å; N60-I67 HydrophobicContact CB-CG1 3.68Å; N60-L127 HydrophobicContact CB-CD1 4.44Å; N60-L127 WeakPolarHBondContact ND2-CD1 3.36Å
61P98.8Very high98.3Very high0 Ų047.8 Ų47.80%028%0.279CS..THydrogen-bonded Turntrans-66.6-19.3-174.424.7-33.4000114.6I59 T63 N129 P362 Q363 V364 G397 Y398I59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-T63 PolarHBondContact O-N 2.94Å; P61-N129 WeakPolarHBondContact CG-O 3.39Å; P61-P362 HydrophobicContact CB-CB 4.19Å; P61-P362 HydrophobicContact CB-CG 3.66Å; P61-P362 HydrophobicContact CG-CG 3.87Å; P61-P362 WeakPolarHBondContact O-CB 3.46Å; P61-Q363 WeakPolarHBondContact CB-O 3.46Å; P61-V364 WeakPolarHBondContact CB-O 3.23Å; P61-G397 WeakPolarHBondContact O-CA 3.44Å; P61-Y398 HydrophobicContact CB-CD2 3.62Å; P61-Y398 HydrophobicContact CB-CE2 4.13Å; P61-Y398 WeakPolarHBondContact O-CD2 3.42Å; P61-Y398 PolarHBondContact O-N 2.77Å
62A98.5Very high98.3Very high15 Ų1545.9 Ų45.912%0.12427%0.266CS..THydrogen-bonded Turntrans-75.7-14.6177.700000112.2N60 P353 P362 F399N60-A62 PolarHBondContact O-N 2.76Å; N60-A62 VanDerWaalsContact O-N 3.14Å; N60-A62 VanDerWaalsContact OD1-CB 3.3Å; N60-A62 WeakPolarHBondContact OD1-CB 3.32Å; N60-A62 PolarHBondContact OD1-N 3.12Å; A62-P353 HydrophobicContact CB-CG 4.09Å; A62-P362 HydrophobicContact CB-CG 4.11Å; A62-F399 HydrophobicContact CB-CE2 4.4Å; A62-F399 HydrophobicContact CB-CZ 3.84Å; A62-F399 WeakPolarHBondContact O-CE2 3.39Å
63T97.6Very high98.4Very high61 Ų6142.9 Ų42.937%0.37425%0.246SC..THydrogen-bonded Turntrans-130.2-15.8-176.965.40000114N60 P61 K65N60-T63 PolarHBondContact O-N 2.92Å; N60-T63 PolarHBondContact O-OG1 3.01Å; P61-T63 PolarHBondContact O-N 2.94Å; T63-K65 PolarHBondContact O-N 3.47Å; T63-K65 PolarHBondContact OG1-N 3.47Å
64G97Very high98.4Very high34 Ų3443.1 Ų43.135%0.35123%0.234SC..THydrogen-bonded Turntrans68.313.3-171.900000114N60N60-G64 PolarHBondContact O-N 3.4Å
65K97.8Very high98.4Very high149 Ų14942.5 Ų42.565%0.64823%0.231SC*.EExtended strand (participates in β ladder)trans-101.8146.4-177.3-62.8-179.5-178.9177.90111.3N60 T63 I67N60-K65 PolarHBondContact N-O 3.31Å; T63-K65 PolarHBondContact O-N 3.47Å; T63-K65 PolarHBondContact OG1-N 3.47Å; K65-I67 PolarHBondContact O-N 3.04Å
66V98.4Very high98.4Very high72 Ų7241.7 Ų41.744%0.43623%0.231SC..EExtended strand (participates in β ladder)trans-59.5129172.8-174.80000110.3D57 I59D57-V66 HydrophobicContact CB-CG1 4.03Å; D57-V66 HydrophobicContact CB-CG2 4.16Å; D57-V66 WeakPolarHBondContact OD2-CG2 3.31Å; I59-V66 HydrophobicContact CD1-CB 4.22Å; I59-V66 HydrophobicContact CD1-CG2 3.66Å
67I98.5Very high98.4Very high40 Ų4041.1 Ų41.121%0.20523%0.229CC..EExtended strand (participates in β ladder)trans-80.3-57.5170.4-63.4159.4000108.7I36 T58 N60 K65 L127 D128 L218I36-I67 HydrophobicContact CD1-CG2 3.98Å; I36-I67 HydrophobicContact CG1-CG2 3.92Å; T58-I67 HydrophobicContact CG2-CB 4.08Å; T58-I67 HydrophobicContact CG2-CD1 4.37Å; T58-I67 PolarHBondContact O-N 3.42Å; N60-I67 HydrophobicContact CB-CD1 3.95Å; N60-I67 HydrophobicContact CB-CG1 3.68Å; K65-I67 PolarHBondContact O-N 3.04Å; I67-L127 HydrophobicContact CD1-CD2 4.28Å; I67-L127 HydrophobicContact CD1-CG 3.88Å; I67-L127 HydrophobicContact CG1-CD2 4.29Å; I67-L127 HydrophobicContact CG1-CG 4.13Å; I67-L127 HydrophobicContact CG2-CD2 3.79Å; I67-D128 HydrophobicContact CD1-CB 4.32Å; I67-D128 VanDerWaalsContact CD1-OD1 3.3Å; I67-D128 WeakPolarHBondContact CD1-OD1 3.37Å; I67-L218 HydrophobicContact CD1-CD1 4.49Å; I67-L218 HydrophobicContact CG2-CD1 3.87Å
68C98.5Very high98.4Very high24 Ų2437.2 Ų37.216%0.16221%0.208CC..EExtended strand (participates in β ladder)trans-160.7173.9177.167.80000111.2T58T58-C68 PolarHBondContact N-O 2.95Å; T58-C68 VanDerWaalsContact N-O 3.09Å
69Q98.5Very high98.5Very high71 Ų7139.4 Ų39.433%0.33222%0.22SC..EExtended strand (participates in β ladder)trans-84.7143.2166.2-65.4-64.8-49.600109.9N39 T55 F56 D57N39-Q69 WeakPolarHBondContact CB-O 3.18Å; N39-Q69 PolarHBondContact ND2-O 3.41Å; T55-Q69 HydrophobicContact CG2-CB 4.3Å; T55-Q69 PolarHBondContact OG1-OE1 3.34Å; F56-Q69 CarbonylContact O-C 3.55Å; F56-Q69 WeakPolarHBondContact O-CA 3.24Å; D57-Q69 PolarHBondContact OD1-NE2 3.06Å; D57-Q69 PolarHBondContact OD1-OE1 3.26Å
70V98.8Very high98.5Very high0 Ų042 Ų420%023%0.23CC..EExtended strand (participates in β ladder)trans-124138.9175.7-179.50000109N39 T55 F56 T58 A72 P217 L218 P241N39-V70 HydrophobicContact CB-CG2 4.35Å; N39-V70 CarbonylContact O-C 3.39Å; N39-V70 WeakPolarHBondContact O-CA 3.3Å; N39-V70 WeakPolarHBondContact O-CG1 3.27Å; T55-V70 CarbonylContact C-O 3.5Å; T55-V70 WeakPolarHBondContact CA-O 3.4Å; T55-V70 VanDerWaalsContact CB-O 3.29Å; T55-V70 WeakPolarHBondContact CB-O 3.49Å; F56-V70 HydrophobicContact CD1-CB 4.46Å; F56-V70 WeakPolarHBondContact CD1-O 3.26Å; F56-V70 HydrophobicContact CD2-CB 4.49Å; F56-V70 HydrophobicContact CE1-CB 3.98Å; F56-V70 HydrophobicContact CE1-CG1 3.89Å; F56-V70 HydrophobicContact CE2-CB 3.98Å; F56-V70 HydrophobicContact CE2-CG1 4.35Å; F56-V70 HydrophobicContact CZ-CB 3.72Å; F56-V70 HydrophobicContact CZ-CG1 3.64Å; F56-V70 PolarHBondContact N-O 3.5Å; F56-V70 PolarHBondContact O-N 2.95Å; T58-V70 HydrophobicContact CG2-CG2 3.99Å; V70-A72 PolarHBondContact O-N 2.78Å; V70-P217 HydrophobicContact CB-CG 4.36Å; V70-P217 HydrophobicContact CG1-CB 4.2Å; V70-P217 HydrophobicContact CG1-CG 4.03Å; V70-P217 HydrophobicContact CG2-CG 3.78Å; V70-L218 HydrophobicContact CG2-CD2 3.84Å; V70-P241 HydrophobicContact CG1-CB 3.74Å; V70-P241 HydrophobicContact CG1-CG 3.79Å
71S98.5Very high98.5Very high1 Ų141 Ų411%0.00722%0.224CC..EExtended strand (participates in β ladder)trans-57.8127178.4-540000110.7N39 S40 E49 G73N39-S71 PolarHBondContact O-N 3.01Å; S40-S71 VanDerWaalsContact CA-OG 3.24Å; S40-S71 WeakPolarHBondContact CA-OG 3.48Å; S40-S71 VanDerWaalsContact CB-OG 3.27Å; S40-S71 WeakPolarHBondContact CB-OG 3.34Å; S40-S71 PolarHBondContact OG-OG 3.47Å; E49-S71 PolarHBondContact OE2-OG 2.92Å; S71-G73 PolarHBondContact O-N 2.8Å; S71-G73 VanDerWaalsContact O-N 3.15Å
72A98.5Very high98.5Very high12 Ų1241 Ų4110%0.09922%0.224CC..  trans-84.487.7-18000000109.8S50 K54 F56 V70S50-A72 VanDerWaalsContact CB-O 3.24Å; S50-A72 WeakPolarHBondContact CB-O 3.42Å; K54-A72 HydrophobicContact CB-CB 4.04Å; K54-A72 WeakPolarHBondContact O-CB 3.39Å; K54-A72 PolarHBondContact O-N 3.39Å; F56-A72 HydrophobicContact CD1-CB 3.82Å; V70-A72 PolarHBondContact O-N 2.78Å
73G98.6Very high98.5Very high1 Ų147.1 Ų47.11%0.0125%0.248CC..BIsolated β-bridgetrans-59.6139.4173.500000111.5S71 P241S71-G73 PolarHBondContact O-N 2.8Å; S71-G73 VanDerWaalsContact O-N 3.15Å; G73-P241 VanDerWaalsContact CA-O 3.24Å; G73-P241 WeakPolarHBondContact CA-O 3.35Å; G73-P241 PolarHBondContact N-O 3.46Å
74D98.6Very high98.6Very high58 Ų5844.4 Ų44.431%0.3123%0.231SC..  trans-134.8-173.7178.5-152.5-31.3000109.5A76 D77 I78D74-A76 PolarHBondContact O-N 3.37Å; D74-A76 VanDerWaalsContact O-N 3.13Å; D74-D77 PolarHBondContact N-OD2 2.76Å; D74-D77 VanDerWaalsContact N-OD2 3.08Å; D74-D77 WeakPolarHBondContact O-CA 3.46Å; D74-D77 WeakPolarHBondContact O-CB 3.46Å; D74-D77 PolarHBondContact O-N 3.04Å; D74-I78 PolarHBondContact O-N 2.79Å
75K98.7Very high98.7Very high124 Ų12442.8 Ų42.854%0.53922%0.215SC..Hα-helixtrans-48-43.7-179-177178179.4-178.90113.6D77 I78 D79 A250K75-D77 VanDerWaalsContact C-N 3.25Å; K75-D77 PolarHBondContact O-N 3.46Å; K75-I78 PolarHBondContact O-N 3.21Å; K75-D79 VanDerWaalsContact O-CG 3.25Å; K75-D79 PolarHBondContact O-N 3.35Å; K75-A250 HydrophobicContact CB-CB 3.81Å; K75-A250 HydrophobicContact CG-CB 3.95Å
76A98.7Very high98.7Very high49 Ų4938.9 Ų38.941%0.40520%0.196SC..Hα-helixtrans-63.9-31179.800000113D74 K80D74-A76 PolarHBondContact O-N 3.37Å; D74-A76 VanDerWaalsContact O-N 3.13Å; A76-K80 WeakPolarHBondContact O-CG 3.47Å; A76-K80 PolarHBondContact O-N 2.94Å
77D98.9Very high98.7Very high1 Ų142.2 Ų42.21%0.00521%0.205CC..Hα-helixtrans-80-37.3177.5-55.6-58.7000111.3I41 S51 D74 K75 D79 K80 A81 V240I41-D77 HydrophobicContact CD1-CB 3.7Å; S51-D77 VanDerWaalsContact CB-OD1 3.27Å; S51-D77 WeakPolarHBondContact CB-OD1 3.12Å; S51-D77 PolarHBondContact N-OD1 3.06Å; S51-D77 PolarHBondContact N-OD2 2.62Å; S51-D77 PolarHBondContact OG-OD1 2.78Å; D74-D77 PolarHBondContact N-OD2 2.76Å; D74-D77 VanDerWaalsContact N-OD2 3.08Å; D74-D77 WeakPolarHBondContact O-CA 3.46Å; D74-D77 WeakPolarHBondContact O-CB 3.46Å; D74-D77 PolarHBondContact O-N 3.04Å; K75-D77 VanDerWaalsContact C-N 3.25Å; K75-D77 PolarHBondContact O-N 3.46Å; D77-D79 VanDerWaalsContact C-N 3.33Å; D77-D79 PolarHBondContact O-N 3.04Å; D77-K80 WeakPolarHBondContact O-CB 3.39Å; D77-K80 PolarHBondContact O-N 2.85Å; D77-A81 WeakPolarHBondContact O-CB 3.36Å; D77-A81 PolarHBondContact O-N 3.3Å; D77-V240 HydrophobicContact CB-CG1 4.2Å
78I98.9Very high98.8Very high0 Ų040.8 Ų40.80%020%0.199CC..Hα-helixtrans-58.2-46.1169.1-65.4-63000110.6D74 K75 K80 A81 V82 V209 V240 A247 A250 L251D74-I78 PolarHBondContact O-N 2.79Å; K75-I78 PolarHBondContact O-N 3.21Å; I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 PolarHBondContact O-N 3.28Å; I78-A81 PolarHBondContact O-N 3.12Å; I78-A81 VanDerWaalsContact O-N 3.17Å; I78-V82 HydrophobicContact CG2-CG2 4.11Å; I78-V82 WeakPolarHBondContact O-CB 3.38Å; I78-V82 VanDerWaalsContact O-CG2 3.32Å; I78-V82 WeakPolarHBondContact O-CG2 3.44Å; I78-V82 PolarHBondContact O-N 3.45Å; I78-V209 HydrophobicContact CD1-CG1 4.29Å; I78-V240 HydrophobicContact CD1-CB 3.88Å; I78-V240 HydrophobicContact CD1-CG1 3.85Å; I78-V240 HydrophobicContact CD1-CG2 4.06Å; I78-V240 HydrophobicContact CG1-CG1 4.46Å; I78-A247 HydrophobicContact CD1-CB 4.23Å; I78-A247 HydrophobicContact CG1-CB 4.26Å; I78-A250 HydrophobicContact CB-CB 4.3Å; I78-A250 HydrophobicContact CG1-CB 4.16Å; I78-A250 HydrophobicContact CG2-CB 4.39Å; I78-L251 HydrophobicContact CD1-CB 4.18Å; I78-L251 HydrophobicContact CG2-CB 4.12Å; I78-L251 HydrophobicContact CG2-CD1 4.04Å
79D98.9Very high98.8Very high47 Ų4740.8 Ų40.825%0.25120%0.196SC..Hα-helixtrans-59-39.8177.5-68.2-9.6000111.5K75 D77 K83 H254K75-D79 VanDerWaalsContact O-CG 3.25Å; K75-D79 PolarHBondContact O-N 3.35Å; D77-D79 VanDerWaalsContact C-N 3.33Å; D77-D79 PolarHBondContact O-N 3.04Å; D79-K83 WeakPolarHBondContact O-CB 3.36Å; D79-K83 WeakPolarHBondContact O-CD 3.39Å; D79-K83 VanDerWaalsContact O-CG 3.22Å; D79-K83 WeakPolarHBondContact O-CG 3.28Å; D79-K83 PolarHBondContact O-N 2.81Å; D79-H254 IonicContact OD1-CD2 3.82Å; D79-H254 PolarHBondContact OD1-CD2 2.92Å; D79-H254 IonicContact OD1-NE2 3.33Å; D79-H254 PolarHBondContact OD1-NE2 3.21Å
80K98.9Very high98.8Very high102 Ų10242.8 Ų42.844%0.44321%0.206SC..Hα-helixtrans-66.1-45.6175.5-71.4170.7-179.6176.60111.6I43 S51 A76 D77 I78 K83 A84I43-K80 HydrophobicContact CD1-CB 3.97Å; S51-K80 WeakPolarHBondContact OG-CE 3.43Å; S51-K80 PolarHBondContact OG-NZ 3.46Å; A76-K80 WeakPolarHBondContact O-CG 3.47Å; A76-K80 PolarHBondContact O-N 2.94Å; D77-K80 WeakPolarHBondContact O-CB 3.39Å; D77-K80 PolarHBondContact O-N 2.85Å; I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 PolarHBondContact O-N 3.28Å; K80-K83 PolarHBondContact O-N 3.31Å; K80-A84 PolarHBondContact O-N 2.75Å
81A98.9Very high98.7Very high0 Ų050.8 Ų50.80%024%0.241CC..Hα-helixtrans-64.3-41.7179.100000111.8I43 D77 I78 A84 A85 V209 N238 V240I43-A81 HydrophobicContact CD1-CB 3.95Å; I43-A81 HydrophobicContact CG1-CB 3.93Å; D77-A81 WeakPolarHBondContact O-CB 3.36Å; D77-A81 PolarHBondContact O-N 3.3Å; I78-A81 PolarHBondContact O-N 3.12Å; I78-A81 VanDerWaalsContact O-N 3.17Å; A81-A84 WeakPolarHBondContact O-CB 3.31Å; A81-A84 PolarHBondContact O-N 2.83Å; A81-A85 WeakPolarHBondContact O-CB 3.36Å; A81-A85 PolarHBondContact O-N 2.94Å; A81-V209 HydrophobicContact CB-CG1 3.7Å; A81-V209 HydrophobicContact CB-CG2 4.01Å; A81-N238 HydrophobicContact CB-CB 3.88Å; A81-V240 HydrophobicContact CB-CG2 3.76Å
82V98.9Very high98.7Very high1 Ų153.7 Ų53.71%0.00627%0.271CS..Hα-helixtrans-66.7-40.4177173.50000111I78 A84 A85 R86 V180 V209 L251 H254 D256 V257I78-V82 HydrophobicContact CG2-CG2 4.11Å; I78-V82 WeakPolarHBondContact O-CB 3.38Å; I78-V82 VanDerWaalsContact O-CG2 3.32Å; I78-V82 WeakPolarHBondContact O-CG2 3.44Å; I78-V82 PolarHBondContact O-N 3.45Å; V82-A84 VanDerWaalsContact C-N 3.33Å; V82-A84 PolarHBondContact O-N 2.72Å; V82-A85 PolarHBondContact O-N 2.92Å; V82-R86 WeakPolarHBondContact O-CB 3.23Å; V82-R86 PolarHBondContact O-N 2.77Å; V82-V180 HydrophobicContact CG1-CG1 4.35Å; V82-V209 HydrophobicContact CG2-CG2 3.96Å; V82-L251 HydrophobicContact CG2-CD1 4.23Å; V82-H254 WeakPolarHBondContact CG1-CE1 3.39Å; V82-D256 HydrophobicContact CG1-CB 3.89Å; V82-V257 HydrophobicContact CG1-CG2 4.19Å; V82-V257 HydrophobicContact CG2-CG2 3.67Å
83K98.9Very high98.7Very high142 Ų14254.2 Ų54.262%0.61727%0.274SS*.Hα-helixtrans-61-41.9173.3-75.7169.1-175.5171.50112.2D79 K80 K87D79-K83 WeakPolarHBondContact O-CB 3.36Å; D79-K83 WeakPolarHBondContact O-CD 3.39Å; D79-K83 VanDerWaalsContact O-CG 3.22Å; D79-K83 WeakPolarHBondContact O-CG 3.28Å; D79-K83 PolarHBondContact O-N 2.81Å; K80-K83 PolarHBondContact O-N 3.31Å; K83-K87 WeakPolarHBondContact O-CB 3.46Å; K83-K87 PolarHBondContact O-N 3.17Å
84A98.9Very high98.8Very high4 Ų459.9 Ų59.93%0.03330%0.3CS..Hα-helixtrans-61.7-49174.800000111.8I43 N44 K80 A81 V82 R86 K87 A88 N238I43-A84 HydrophobicContact CG2-CB 3.68Å; N44-A84 WeakPolarHBondContact ND2-CB 3.45Å; N44-A84 WeakPolarHBondContact OD1-CB 3.19Å; K80-A84 PolarHBondContact O-N 2.75Å; A81-A84 WeakPolarHBondContact O-CB 3.31Å; A81-A84 PolarHBondContact O-N 2.83Å; V82-A84 VanDerWaalsContact C-N 3.33Å; V82-A84 PolarHBondContact O-N 2.72Å; A84-R86 PolarHBondContact O-N 2.9Å; A84-K87 PolarHBondContact O-N 2.98Å; A84-A88 PolarHBondContact O-N 3.33Å; A84-N238 WeakPolarHBondContact CB-OD1 3.41Å
85A99Very high98.8Very high0 Ų057.3 Ų57.30%029%0.286CS..Hα-helixtrans-59.5-46176.300000112.3A81 V82 K87 A88 F89 V180 T207 V209 G235A81-A85 WeakPolarHBondContact O-CB 3.36Å; A81-A85 PolarHBondContact O-N 2.94Å; V82-A85 PolarHBondContact O-N 2.92Å; A85-K87 PolarHBondContact O-N 2.75Å; A85-A88 PolarHBondContact O-N 3.2Å; A85-F89 WeakPolarHBondContact O-CB 3.48Å; A85-F89 PolarHBondContact O-N 3.17Å; A85-V180 HydrophobicContact CB-CG1 3.87Å; A85-V180 HydrophobicContact CB-CG2 4.03Å; A85-T207 PolarHBondContact O-OG1 2.95Å; A85-V209 HydrophobicContact CB-CG2 3.89Å; A85-G235 VanDerWaalsContact CA-O 3.28Å; A85-G235 WeakPolarHBondContact CA-O 3.23Å
86R98.9Very high98.8Very high68 Ų6854.1 Ų54.126%0.25727%0.27SS..Hα-helixtrans-61.5-43.8179.3-175.359.565-170.38111.6V82 A84 F89 E90 V180 D256 D258V82-R86 WeakPolarHBondContact O-CB 3.23Å; V82-R86 PolarHBondContact O-N 2.77Å; A84-R86 PolarHBondContact O-N 2.9Å; R86-F89 CarbonylContact O-C 3.59Å; R86-F89 WeakPolarHBondContact O-CA 3.28Å; R86-F89 PolarHBondContact O-N 3.45Å; R86-F89 VanDerWaalsContact O-N 3.08Å; R86-E90 PolarHBondContact O-N 2.82Å; R86-V180 HydrophobicContact CB-CG2 4.21Å; R86-D256 PolarHBondContact NH2-O 3.41Å; R86-D258 IonicContact CZ-OD1 2.66Å; R86-D258 IonicContact CZ-OD2 3.83Å; R86-D258 VanDerWaalsContact CZ-OD2 3.26Å; R86-D258 IonicContact NH1-OD1 3.76Å; R86-D258 IonicContact NH1-OD2 3.79Å; R86-D258 PolarHBondContact NH1-OD2 2.92Å; R86-D258 IonicContact NH2-OD1 2.64Å; R86-D258 PolarHBondContact NH2-OD1 2.99Å; R86-D258 IonicContact NH2-OD2 3.68Å; R86-D258 PolarHBondContact NH2-OD2 2.99Å
87K98.9Very high98.8Very high141 Ų14156.2 Ų56.261%0.61328%0.278SS*.Hα-helixtrans-61.7-45175.9-175.2177.5179.7-178.80111.7K83 A84 A85 F89 E90K83-K87 WeakPolarHBondContact O-CB 3.46Å; K83-K87 PolarHBondContact O-N 3.17Å; A84-K87 PolarHBondContact O-N 2.98Å; A85-K87 PolarHBondContact O-N 2.75Å; K87-F89 PolarHBondContact O-N 2.8Å; K87-E90 WeakPolarHBondContact O-CB 3.48Å; K87-E90 PolarHBondContact O-N 2.88Å
88A98.9Very high98.8Very high11 Ų1157.4 Ų57.49%0.09128%0.284CS..Hα-helixtrans-62.4-24175.200000112.5A84 A85 S93 T207 P234 V236A84-A88 PolarHBondContact O-N 3.33Å; A85-A88 PolarHBondContact O-N 3.2Å; A88-S93 WeakPolarHBondContact O-CB 3.26Å; A88-S93 PolarHBondContact O-OG 2.85Å; A88-T207 HydrophobicContact CB-CG2 3.97Å; A88-P234 WeakPolarHBondContact CB-O 3.48Å; A88-V236 HydrophobicContact CB-CG2 4.2Å
89F98.9Very high98.8Very high23 Ų2363 Ų6310%0.10131%0.314CS..THydrogen-bonded Turntrans-91.7-2.6179.1-164.2-106.7000115.1A85 R86 K87 R96 P177 G179 T207A85-F89 WeakPolarHBondContact O-CB 3.48Å; A85-F89 PolarHBondContact O-N 3.17Å; R86-F89 CarbonylContact O-C 3.59Å; R86-F89 WeakPolarHBondContact O-CA 3.28Å; R86-F89 PolarHBondContact O-N 3.45Å; R86-F89 VanDerWaalsContact O-N 3.08Å; K87-F89 PolarHBondContact O-N 2.8Å; F89-R96 VanDerWaalsContact O-CG 3.25Å; F89-R96 WeakPolarHBondContact O-CG 3.16Å; F89-R96 PolarHBondContact O-NH1 3.17Å; F89-P177 HydrophobicContact CE2-CB 3.67Å; F89-P177 HydrophobicContact CE2-CG 3.45Å; F89-P177 VanDerWaalsContact CE2-CG 3.45Å; F89-P177 HydrophobicContact CZ-CB 3.95Å; F89-P177 HydrophobicContact CZ-CG 3.65Å; F89-G179 VanDerWaalsContact CZ-CA 3.4Å; F89-T207 HydrophobicContact CB-CG2 3.87Å; F89-T207 HydrophobicContact CD2-CG2 4.12Å; F89-T207 HydrophobicContact CG-CG2 4.47Å
90E98.7Very high98.8Very high114 Ų11462.5 Ų62.553%0.53332%0.316SS..SBendtrans-60.4147-179.5-74.8176-178.200112.7R86 K87 G92 S93 R96R86-E90 PolarHBondContact O-N 2.82Å; K87-E90 WeakPolarHBondContact O-CB 3.48Å; K87-E90 PolarHBondContact O-N 2.88Å; E90-G92 PolarHBondContact O-N 2.66Å; E90-S93 VanDerWaalsContact O-CB 3.22Å; E90-S93 WeakPolarHBondContact O-CB 3.25Å; E90-S93 PolarHBondContact O-N 2.91Å; E90-S93 PolarHBondContact O-OG 3.4Å; E90-S93 VanDerWaalsContact O-OG 3.14Å; E90-R96 VanDerWaalsContact O-CG 3.25Å; E90-R96 WeakPolarHBondContact O-CG 3.21Å
91F98Very high98.8Very high167 Ų16760.4 Ų60.473%0.73231%0.314SS*.THydrogen-bonded Turntrans-59.2129.9174.5-77.8-77.1000110.7S93F91-S93 VanDerWaalsContact C-N 3.32Å
92G98.3Very high98.8Very high62 Ų6264.5 Ų64.564%0.63933%0.333SS*.THydrogen-bonded Turntrans85.9-1.9-176.300000114.5E90E90-G92 PolarHBondContact O-N 2.66Å
93S98.8Very high98.8Very high23 Ų2366 Ų6616%0.16134%0.339CS..SBendtrans-65.9156.3171.480.60000111.3A88 E90 F91 W95 R96 T97A88-S93 WeakPolarHBondContact O-CB 3.26Å; A88-S93 PolarHBondContact O-OG 2.85Å; E90-S93 VanDerWaalsContact O-CB 3.22Å; E90-S93 WeakPolarHBondContact O-CB 3.25Å; E90-S93 PolarHBondContact O-N 2.91Å; E90-S93 PolarHBondContact O-OG 3.4Å; E90-S93 VanDerWaalsContact O-OG 3.14Å; F91-S93 VanDerWaalsContact C-N 3.32Å; S93-W95 PolarHBondContact O-N 3.27Å; S93-R96 PolarHBondContact O-N 3.34Å; S93-R96 WeakPolarHBondContact OG-CG 3.42Å; S93-R96 PolarHBondContact OG-N 2.98Å; S93-T97 PolarHBondContact O-N 2.95Å; S93-T97 PolarHBondContact O-OG1 2.66Å
94E98.7Very high98.8Very high120 Ų12059.5 Ų59.556%0.56131%0.312SS*.Hα-helixtrans-49.6-46.1175.4-176.5-179.1172.700111.9R96 T97 M98 P233E94-R96 PolarHBondContact O-N 3.38Å; E94-T97 PolarHBondContact O-N 3.36Å; E94-T97 PolarHBondContact O-OG1 2.81Å; E94-M98 VanDerWaalsContact O-CB 3.25Å; E94-M98 WeakPolarHBondContact O-CB 3.2Å; E94-M98 PolarHBondContact O-N 2.92Å; E94-P233 HydrophobicContact CB-CG 4.34Å; E94-P233 HydrophobicContact CG-CB 4.46Å; E94-P233 HydrophobicContact CG-CG 3.9Å
95W98.8Very high98.8Very high4 Ų463.2 Ų63.22%0.01533%0.334CS..Hα-helixtrans-67.1-35.2-179.8-170.3-123.5000113.5S93 M98 R103 L106 L202 G205 N206 F232 P233 V236S93-W95 PolarHBondContact O-N 3.27Å; W95-M98 HydrophobicContact CE3-CE 3.96Å; W95-M98 HydrophobicContact CE3-SD 3.8Å; W95-M98 HydrophobicContact CZ3-CE 4.14Å; W95-M98 HydrophobicContact CZ3-SD 3.6Å; W95-M98 VanDerWaalsContact CZ3-SD 3.6Å; W95-R103 HydrophobicContact CH2-CB 4.12Å; W95-R103 HydrophobicContact CH2-CG 3.66Å; W95-R103 HydrophobicContact CZ2-CG 4.2Å; W95-R103 HydrophobicContact CZ3-CG 3.87Å; W95-L106 HydrophobicContact CZ3-CD1 3.85Å; W95-L202 HydrophobicContact CZ2-CB 4.45Å; W95-L202 HydrophobicContact CZ2-CD2 4.08Å; W95-G205 PolarHBondContact NE1-O 3.38Å; W95-N206 PolarHBondContact NE1-O 3.19Å; W95-F232 AromaticContact CH2-CD1 3.85Å; W95-F232 HydrophobicContact CH2-CD1 3.85Å; W95-F232 AromaticContact CH2-CE1 3.78Å; W95-F232 HydrophobicContact CH2-CE1 3.78Å; W95-F232 AromaticContact CZ3-CD1 3.94Å; W95-F232 HydrophobicContact CZ3-CD1 3.94Å; W95-F232 HydrophobicContact CZ3-CE1 4.22Å; W95-P233 HydrophobicContact CB-CG 4.41Å; W95-P233 HydrophobicContact CE3-CG 4.04Å; W95-V236 HydrophobicContact CB-CG2 3.74Å; W95-V236 HydrophobicContact CD2-CB 4.4Å; W95-V236 HydrophobicContact CD2-CG1 3.84Å; W95-V236 HydrophobicContact CD2-CG2 3.6Å; W95-V236 HydrophobicContact CE3-CG1 4.26Å; W95-V236 HydrophobicContact CE3-CG2 4.01Å; W95-V236 HydrophobicContact CG-CG1 4.33Å; W95-V236 HydrophobicContact CG-CG2 3.46Å; W95-V236 VanDerWaalsContact CG-CG2 3.46Å; W95-V236 HydrophobicContact CH2-CG1 4.16Å; W95-V236 HydrophobicContact CZ2-CG1 3.71Å; W95-V236 HydrophobicContact CZ3-CG1 4.4Å
96R98.7Very high98.8Very high57 Ų5763.7 Ų63.722%0.21534%0.337CS..Hα-helixtrans-80.6-26.9-179.4-69.1-60.7-56-75.20.4113.4F89 E90 S93 E94F89-R96 VanDerWaalsContact O-CG 3.25Å; F89-R96 WeakPolarHBondContact O-CG 3.16Å; F89-R96 PolarHBondContact O-NH1 3.17Å; E90-R96 VanDerWaalsContact O-CG 3.25Å; E90-R96 WeakPolarHBondContact O-CG 3.21Å; S93-R96 PolarHBondContact O-N 3.34Å; S93-R96 WeakPolarHBondContact OG-CG 3.42Å; S93-R96 PolarHBondContact OG-N 2.98Å; E94-R96 PolarHBondContact O-N 3.38Å
97T98.7Very high98.8Very high93 Ų9360.5 Ų60.557%0.57133%0.325SS*.Hα-helixtrans-95.1-9.6176.758.60000113.3S93 E94S93-T97 PolarHBondContact O-N 2.95Å; S93-T97 PolarHBondContact O-OG1 2.66Å; E94-T97 PolarHBondContact O-N 3.36Å; E94-T97 PolarHBondContact O-OG1 2.81Å
98M98.8Very high98.8Very high27 Ų2756.7 Ų56.713%0.13331%0.311CS..SBendtrans-60.8134.8175.7-177.4177.3-66.700111.2E94 W95 A100 H102 R103 L106 P233E94-M98 VanDerWaalsContact O-CB 3.25Å; E94-M98 WeakPolarHBondContact O-CB 3.2Å; E94-M98 PolarHBondContact O-N 2.92Å; W95-M98 HydrophobicContact CE3-CE 3.96Å; W95-M98 HydrophobicContact CE3-SD 3.8Å; W95-M98 HydrophobicContact CZ3-CE 4.14Å; W95-M98 HydrophobicContact CZ3-SD 3.6Å; W95-M98 VanDerWaalsContact CZ3-SD 3.6Å; M98-A100 PolarHBondContact O-N 2.77Å; M98-H102 HydrophobicContact CG-CB 3.85Å; M98-H102 HydrophobicContact SD-CB 4.31Å; M98-R103 HydrophobicContact CG-CG 4.28Å; M98-R103 HydrophobicContact SD-CG 3.85Å; M98-L106 HydrophobicContact CE-CD1 3.75Å; M98-L106 HydrophobicContact SD-CD1 3.6Å; M98-L106 VanDerWaalsContact SD-CD1 3.6Å; M98-P233 HydrophobicContact CE-CG 4Å
99D98.9Very high98.8Very high118 Ų11860.5 Ų60.563%0.63133%0.326SS*.  trans-55.1138173-70.8-26.5000110.7S101 H102 R103D99-S101 PolarHBondContact O-N 2.84Å; D99-H102 HydrophobicContact CB-CB 4.23Å; D99-H102 WeakPolarHBondContact O-CB 3.28Å; D99-H102 PolarHBondContact O-N 3.21Å; D99-R103 PolarHBondContact O-N 3.46Å
100A98.9Very high98.8Very high35 Ų3559.4 Ų59.429%0.28932%0.321SS..Hα-helixtrans-56.5-37.1178.500000112.4M98 H102 R103 A155 D156M98-A100 PolarHBondContact O-N 2.77Å; A100-H102 VanDerWaalsContact C-N 3.33Å; A100-H102 PolarHBondContact O-N 2.83Å; A100-R103 PolarHBondContact O-N 2.88Å; A100-A155 WeakPolarHBondContact CB-O 3.35Å; A100-A155 VanDerWaalsContact O-CB 3.23Å; A100-A155 WeakPolarHBondContact O-CB 3.49Å; A100-D156 HydrophobicContact CB-CB 3.88Å
101S98.9Very high98.8Very high58 Ų5854 Ų5441%0.40630%0.295SS..Hα-helixtrans-64.7-35.6175.157.10000112.4D99 G104 V105D99-S101 PolarHBondContact O-N 2.84Å; S101-G104 WeakPolarHBondContact O-CA 3.33Å; S101-G104 PolarHBondContact O-N 3.33Å; S101-V105 PolarHBondContact O-N 2.72Å; S101-V105 VanDerWaalsContact O-N 3.09Å
102H98.9Very high98.8Very high86 Ų8649.5 Ų49.540%0.39828%0.279SS..Hα-helixtrans-71.6-30.4179.9-16075.1000112.4M98 D99 A100 G104 V105 L106M98-H102 HydrophobicContact CG-CB 3.85Å; M98-H102 HydrophobicContact SD-CB 4.31Å; D99-H102 HydrophobicContact CB-CB 4.23Å; D99-H102 WeakPolarHBondContact O-CB 3.28Å; D99-H102 PolarHBondContact O-N 3.21Å; A100-H102 VanDerWaalsContact C-N 3.33Å; A100-H102 PolarHBondContact O-N 2.83Å; H102-G104 PolarHBondContact O-N 3.36Å; H102-V105 WeakPolarHBondContact O-CA 3.29Å; H102-V105 WeakPolarHBondContact O-CB 3.44Å; H102-V105 PolarHBondContact O-N 2.9Å; H102-L106 PolarHBondContact O-N 2.89Å
103R98.9Very high98.9Very high34 Ų3446.8 Ų46.813%0.12825%0.25CC..Hα-helixtrans-58.3-37.7166.9-60.7-164.4-59.5-87-2.4111.6W95 M98 D99 A100 L106 L107 A155 L202 A203W95-R103 HydrophobicContact CH2-CB 4.12Å; W95-R103 HydrophobicContact CH2-CG 3.66Å; W95-R103 HydrophobicContact CZ2-CG 4.2Å; W95-R103 HydrophobicContact CZ3-CG 3.87Å; M98-R103 HydrophobicContact CG-CG 4.28Å; M98-R103 HydrophobicContact SD-CG 3.85Å; D99-R103 PolarHBondContact O-N 3.46Å; A100-R103 PolarHBondContact O-N 2.88Å; R103-L106 PolarHBondContact O-N 2.78Å; R103-L107 WeakPolarHBondContact O-CG 3.39Å; R103-L107 PolarHBondContact O-N 2.89Å; R103-A155 HydrophobicContact CB-CB 4.21Å; R103-A155 PolarHBondContact NH2-O 3.44Å; R103-L202 WeakPolarHBondContact CD-O 3.19Å; R103-A203 PolarHBondContact NE-O 2.95Å; R103-A203 PolarHBondContact NH2-O 3.24Å
104G98.9Very high98.9Very high5 Ų545.7 Ų45.75%0.05224%0.242CC..Hα-helixtrans-64.3-37.4172.200000113.2S101 H102 L107 N108 A152S101-G104 WeakPolarHBondContact O-CA 3.33Å; S101-G104 PolarHBondContact O-N 3.33Å; H102-G104 PolarHBondContact O-N 3.36Å; G104-L107 PolarHBondContact O-N 3.28Å; G104-N108 PolarHBondContact O-N 3.2Å; G104-N108 PolarHBondContact O-ND2 3.26Å; G104-A152 WeakPolarHBondContact CA-O 3.12Å; G104-A152 WeakPolarHBondContact O-CB 3.23Å
105V98.9Very high98.9Very high81 Ų8143.9 Ų43.949%0.49123%0.234SC..Hα-helixtrans-62-46.6173.71760000111S101 H102 L107 N108 K109S101-V105 PolarHBondContact O-N 2.72Å; S101-V105 VanDerWaalsContact O-N 3.09Å; H102-V105 WeakPolarHBondContact O-CA 3.29Å; H102-V105 WeakPolarHBondContact O-CB 3.44Å; H102-V105 PolarHBondContact O-N 2.9Å; V105-L107 PolarHBondContact O-N 2.84Å; V105-N108 PolarHBondContact O-N 3.34Å; V105-K109 WeakPolarHBondContact O-CB 3.31Å; V105-K109 PolarHBondContact O-N 3.31Å
106L99Very high98.9Very high11 Ų1149.9 Ų49.96%0.05826%0.256CS..Hα-helixtrans-63.2-40.5178.9-65.8174.8000112.5W95 M98 H102 R103 K109 L110 A230 F232W95-L106 HydrophobicContact CZ3-CD1 3.85Å; M98-L106 HydrophobicContact CE-CD1 3.75Å; M98-L106 HydrophobicContact SD-CD1 3.6Å; M98-L106 VanDerWaalsContact SD-CD1 3.6Å; H102-L106 PolarHBondContact O-N 2.89Å; R103-L106 PolarHBondContact O-N 2.78Å; L106-K109 PolarHBondContact O-N 3.23Å; L106-L110 PolarHBondContact O-N 2.92Å; L106-A230 WeakPolarHBondContact CD2-O 3.39Å; L106-F232 HydrophobicContact CB-CD1 4.41Å; L106-F232 HydrophobicContact CB-CD2 4.26Å; L106-F232 HydrophobicContact CB-CE1 3.91Å; L106-F232 HydrophobicContact CB-CE2 3.74Å; L106-F232 HydrophobicContact CB-CZ 3.55Å; L106-F232 HydrophobicContact CD1-CD1 4.19Å; L106-F232 HydrophobicContact CD1-CE1 4.35Å; L106-F232 HydrophobicContact CD1-CG 4.43Å
107L99Very high98.9Very high0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-65.4-40.8175.9-77.4167.5000112.7R103 G104 V105 L110 A111 Y148 A152 L202 A203 F232R103-L107 WeakPolarHBondContact O-CG 3.39Å; R103-L107 PolarHBondContact O-N 2.89Å; G104-L107 PolarHBondContact O-N 3.28Å; V105-L107 PolarHBondContact O-N 2.84Å; L107-L110 PolarHBondContact O-N 2.8Å; L107-A111 PolarHBondContact O-N 3.22Å; L107-Y148 HydrophobicContact CD2-CD1 3.89Å; L107-Y148 HydrophobicContact CD2-CE1 4.42Å; L107-A152 HydrophobicContact CB-CB 3.62Å; L107-L202 HydrophobicContact CD1-CB 4.4Å; L107-L202 HydrophobicContact CD2-CB 4.04Å; L107-L202 HydrophobicContact CD2-CD1 4.1Å; L107-L202 HydrophobicContact CG-CB 4.48Å; L107-A203 HydrophobicContact CD1-CB 3.91Å; L107-F232 HydrophobicContact CD2-CZ 4.19Å; L107-F232 HydrophobicContact CG-CZ 4.25Å
108N99Very high98.9Very high62 Ų6245.5 Ų45.533%0.33223%0.232SC..Hα-helixtrans-64.4-42.8172.6-80.4-55.2000111.3G104 V105 L110 A111 D112 A152G104-N108 PolarHBondContact O-N 3.2Å; G104-N108 PolarHBondContact O-ND2 3.26Å; V105-N108 PolarHBondContact O-N 3.34Å; N108-L110 VanDerWaalsContact C-N 3.31Å; N108-L110 PolarHBondContact O-N 2.79Å; N108-A111 WeakPolarHBondContact O-CB 3.14Å; N108-A111 PolarHBondContact O-N 2.85Å; N108-A111 VanDerWaalsContact O-N 3.09Å; N108-D112 VanDerWaalsContact O-CG 3.32Å; N108-D112 PolarHBondContact O-N 3.16Å; N108-A152 WeakPolarHBondContact ND2-CB 3.32Å
109K98.9Very high98.9Very high90 Ų9046.4 Ų46.439%0.39124%0.239SC..Hα-helixtrans-60.1-42.1176.9-18058.9179.7175.30111.7V105 L106 A111 D112 L113 A230V105-K109 WeakPolarHBondContact O-CB 3.31Å; V105-K109 PolarHBondContact O-N 3.31Å; L106-K109 PolarHBondContact O-N 3.23Å; K109-A111 VanDerWaalsContact C-N 3.35Å; K109-D112 PolarHBondContact O-N 3.46Å; K109-L113 HydrophobicContact CD-CG 4.5Å; K109-L113 HydrophobicContact CG-CD1 4.46Å; K109-L113 WeakPolarHBondContact O-CG 3.48Å; K109-L113 PolarHBondContact O-N 3.22Å; K109-A230 HydrophobicContact CB-CB 4.38Å; K109-A230 HydrophobicContact CG-CB 3.97Å
110L99Very high98.9Very high0 Ų042 Ų420%021%0.213CC..Hα-helixtrans-60-44.6173.4178.160.8000111.5L106 L107 N108 D112 L113 I114 Y148 V223 L226 I227 A230 F232L106-L110 PolarHBondContact O-N 2.92Å; L107-L110 PolarHBondContact O-N 2.8Å; N108-L110 VanDerWaalsContact C-N 3.31Å; N108-L110 PolarHBondContact O-N 2.79Å; L110-D112 VanDerWaalsContact C-N 3.31Å; L110-D112 PolarHBondContact O-N 3.49Å; L110-L113 PolarHBondContact O-N 3.4Å; L110-I114 HydrophobicContact CD1-CD1 4.09Å; L110-I114 HydrophobicContact CD1-CG1 4.32Å; L110-I114 HydrophobicContact CG-CD1 3.92Å; L110-I114 WeakPolarHBondContact O-CG1 3.2Å; L110-I114 PolarHBondContact O-N 3.42Å; L110-Y148 HydrophobicContact CD2-CD1 4.12Å; L110-Y148 HydrophobicContact CD2-CE1 3.76Å; L110-Y148 HydrophobicContact CD2-CE2 4.36Å; L110-V223 HydrophobicContact CD1-CG1 4.33Å; L110-L226 HydrophobicContact CD1-CB 3.82Å; L110-I227 HydrophobicContact CD1-CG1 3.81Å; L110-I227 HydrophobicContact CD2-CD1 4.49Å; L110-I227 HydrophobicContact CD2-CG1 3.84Å; L110-I227 HydrophobicContact CG-CG1 4.48Å; L110-A230 HydrophobicContact CB-CB 4.26Å; L110-F232 HydrophobicContact CB-CE2 4.2Å; L110-F232 HydrophobicContact CD2-CE2 4.37Å
111A98.9Very high98.9Very high0 Ų040.3 Ų40.30%020%0.199CC..Hα-helixtrans-60.9-39.9176.600000112.3L107 N108 K109 I114 E115 I145 R149L107-A111 PolarHBondContact O-N 3.22Å; N108-A111 WeakPolarHBondContact O-CB 3.14Å; N108-A111 PolarHBondContact O-N 2.85Å; N108-A111 VanDerWaalsContact O-N 3.09Å; K109-A111 VanDerWaalsContact C-N 3.35Å; A111-I114 PolarHBondContact O-N 3.19Å; A111-E115 WeakPolarHBondContact O-CB 3.18Å; A111-E115 PolarHBondContact O-N 2.96Å; A111-I145 HydrophobicContact CB-CG2 4.45Å; A111-R149 HydrophobicContact CB-CG 3.7Å
112D98.9Very high98.9Very high74 Ų7437.5 Ų37.540%0.39618%0.18SC..Hα-helixtrans-65.5-38.1176.4-63.9-19.3000112.1N108 K109 L110 E115 R116 R149N108-D112 VanDerWaalsContact O-CG 3.32Å; N108-D112 PolarHBondContact O-N 3.16Å; K109-D112 PolarHBondContact O-N 3.46Å; L110-D112 VanDerWaalsContact C-N 3.31Å; L110-D112 PolarHBondContact O-N 3.49Å; D112-E115 PolarHBondContact O-N 3.34Å; D112-R116 WeakPolarHBondContact O-CB 3.27Å; D112-R116 PolarHBondContact O-N 3.19Å; D112-R149 IonicContact OD1-CZ 3.65Å; D112-R149 IonicContact OD1-NE 2.83Å; D112-R149 IonicContact OD1-NH2 2.8Å; D112-R149 PolarHBondContact OD1-NH2 2.8Å
113L98.9Very high98.8Very high4 Ų433.4 Ų33.42%0.02116%0.161CC..Hα-helixtrans-69.5-38.6175.8-68.2175.7000112.2K109 L110 E115 R116 D117 L226 E229 A230K109-L113 HydrophobicContact CD-CG 4.5Å; K109-L113 HydrophobicContact CG-CD1 4.46Å; K109-L113 WeakPolarHBondContact O-CG 3.48Å; K109-L113 PolarHBondContact O-N 3.22Å; L110-L113 PolarHBondContact O-N 3.4Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-R116 WeakPolarHBondContact O-CB 3.22Å; L113-R116 PolarHBondContact O-N 3.27Å; L113-D117 PolarHBondContact O-N 2.94Å; L113-L226 HydrophobicContact CB-CB 4.26Å; L113-L226 HydrophobicContact CB-CD1 4.34Å; L113-L226 HydrophobicContact CB-CD2 4.32Å; L113-L226 HydrophobicContact CD1-CB 4.49Å; L113-L226 WeakPolarHBondContact CD1-O 3.45Å; L113-E229 HydrophobicContact CD1-CB 3.86Å; L113-E229 HydrophobicContact CD1-CG 3.86Å; L113-E229 HydrophobicContact CD2-CG 4.29Å; L113-E229 VanDerWaalsContact CD2-OE1 3.29Å; L113-E229 WeakPolarHBondContact CD2-OE1 3.33Å; L113-A230 HydrophobicContact CD1-CB 3.95Å
114I98.9Very high98.8Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-63.9-41.1172.5-70.7168.4000110.4L110 A111 D117 R118 L121 L141 V144 I145 Y148 V223 L226L110-I114 HydrophobicContact CD1-CD1 4.09Å; L110-I114 HydrophobicContact CD1-CG1 4.32Å; L110-I114 HydrophobicContact CG-CD1 3.92Å; L110-I114 WeakPolarHBondContact O-CG1 3.2Å; L110-I114 PolarHBondContact O-N 3.42Å; A111-I114 PolarHBondContact O-N 3.19Å; I114-D117 CarbonylContact O-C 3.53Å; I114-D117 PolarHBondContact O-N 3.36Å; I114-R118 WeakPolarHBondContact O-CA 3.38Å; I114-R118 PolarHBondContact O-N 2.91Å; I114-L121 HydrophobicContact CB-CD1 4.29Å; I114-L121 HydrophobicContact CG1-CD1 4.29Å; I114-L121 HydrophobicContact CG2-CD1 3.86Å; I114-L141 HydrophobicContact CG2-CD1 3.62Å; I114-V144 HydrophobicContact CD1-CG1 4.15Å; I114-V144 HydrophobicContact CG2-CG1 4.06Å; I114-I145 HydrophobicContact CG2-CD1 4.4Å; I114-I145 HydrophobicContact CG2-CG1 3.84Å; I114-Y148 HydrophobicContact CD1-CD2 3.7Å; I114-Y148 HydrophobicContact CD1-CE2 3.46Å; I114-Y148 VanDerWaalsContact CD1-CE2 3.46Å; I114-V223 HydrophobicContact CD1-CG1 4.31Å; I114-V223 HydrophobicContact CD1-CG2 4.44Å; I114-V223 HydrophobicContact CG1-CG2 4.47Å; I114-L226 HydrophobicContact CG1-CD1 3.87Å
115E98.8Very high98.8Very high82 Ų8231.7 Ų31.738%0.38315%0.153SC..Hα-helixtrans-65.5-39176.2-171.6163.2-122.300112A111 D112 L113 D117 R118 I145 R149A111-E115 WeakPolarHBondContact O-CB 3.18Å; A111-E115 PolarHBondContact O-N 2.96Å; D112-E115 PolarHBondContact O-N 3.34Å; L113-E115 VanDerWaalsContact C-N 3.33Å; E115-D117 PolarHBondContact O-N 3.33Å; E115-R118 VanDerWaalsContact O-CB 3.24Å; E115-R118 WeakPolarHBondContact O-CB 3.47Å; E115-R118 PolarHBondContact O-N 2.78Å; E115-I145 HydrophobicContact CB-CD1 3.81Å; E115-I145 HydrophobicContact CB-CG1 4.43Å; E115-I145 HydrophobicContact CG-CD1 4.1Å; E115-R149 IonicContact OE1-NH1 2.75Å; E115-R149 PolarHBondContact OE1-NH1 2.85Å; E115-R149 IonicContact OE2-CZ 3.52Å; E115-R149 IonicContact OE2-NH1 3.31Å; E115-R149 PolarHBondContact OE2-NH1 2.85Å; E115-R149 IonicContact OE2-NH2 3.7Å; E115-R149 PolarHBondContact OE2-NH2 3.37Å
116R98.7Very high98.8Very high130 Ų13027.8 Ų27.849%0.49113%0.129SC..Hα-helixtrans-57.7-47.5171.5-177.3-162.772-163.2-6111.4D112 L113 R118 E229D112-R116 WeakPolarHBondContact O-CB 3.27Å; D112-R116 PolarHBondContact O-N 3.19Å; L113-R116 WeakPolarHBondContact O-CB 3.22Å; L113-R116 PolarHBondContact O-N 3.27Å; R116-R118 VanDerWaalsContact C-N 3.3Å; R116-R118 PolarHBondContact O-N 3.49Å; R116-E229 IonicContact CZ-OE1 3.81Å; R116-E229 IonicContact CZ-OE2 3.7Å; R116-E229 VanDerWaalsContact NH1-CD 3.34Å; R116-E229 IonicContact NH1-OE1 2.87Å; R116-E229 PolarHBondContact NH1-OE1 3.41Å; R116-E229 IonicContact NH1-OE2 2.9Å; R116-E229 PolarHBondContact NH1-OE2 3.4Å; R116-E229 IonicContact NH2-OE1 3.91Å; R116-E229 IonicContact NH2-OE2 3.15Å; R116-E229 PolarHBondContact NH2-OE2 2.8Å
117D98.7Very high98.8Very high27 Ų2728.1 Ų28.114%0.14413%0.131CC..THydrogen-bonded Turntrans-91.413.5-175.4-70.63.6000113.2L113 I114 E115 V119 Y120 L121 W222 L226L113-D117 PolarHBondContact O-N 2.94Å; I114-D117 CarbonylContact O-C 3.53Å; I114-D117 PolarHBondContact O-N 3.36Å; E115-D117 PolarHBondContact O-N 3.33Å; D117-V119 VanDerWaalsContact C-N 3.3Å; D117-V119 PolarHBondContact O-N 2.82Å; D117-V119 VanDerWaalsContact O-N 3.15Å; D117-Y120 WeakPolarHBondContact O-CB 3.21Å; D117-Y120 PolarHBondContact O-N 2.7Å; D117-L121 HydrophobicContact CB-CD1 4.37Å; D117-L121 PolarHBondContact O-N 3.28Å; D117-W222 PolarHBondContact OD2-NE1 3Å; D117-L226 HydrophobicContact CB-CD1 4.47Å; D117-L226 WeakPolarHBondContact OD2-CD2 3.4Å
118R98.7Very high98.8Very high32 Ų3228.1 Ų28.112%0.12113%0.131CC..Hα-helixtrans-54.3-40.3-170.1-170.8178.8-179.5157.71113.8I114 E115 R116 A122 Y137 L141I114-R118 WeakPolarHBondContact O-CA 3.38Å; I114-R118 PolarHBondContact O-N 2.91Å; E115-R118 VanDerWaalsContact O-CB 3.24Å; E115-R118 WeakPolarHBondContact O-CB 3.47Å; E115-R118 PolarHBondContact O-N 2.78Å; R116-R118 VanDerWaalsContact C-N 3.3Å; R116-R118 PolarHBondContact O-N 3.49Å; R118-A122 WeakPolarHBondContact O-CB 3.07Å; R118-A122 PolarHBondContact O-N 3.11Å; R118-Y137 HydrophobicContact CB-CE2 4.09Å; R118-Y137 HydrophobicContact CG-CD2 3.83Å; R118-Y137 HydrophobicContact CG-CE2 3.55Å; R118-Y137 VanDerWaalsContact CZ-O 3.31Å; R118-Y137 PolarHBondContact NE-O 3.2Å; R118-Y137 PolarHBondContact NH2-O 3.19Å; R118-L141 HydrophobicContact CG-CB 3.85Å; R118-L141 HydrophobicContact CG-CD1 4.49Å; R118-L141 HydrophobicContact CG-CG 4Å
119V98.6Very high98.8Very high46 Ų4625.2 Ų25.228%0.27912%0.116SC..Hα-helixtrans-66.4-44.3178.3-179.10000111.2V28 I31 D117 S123 F133 Y137V28-V119 HydrophobicContact CG1-CG1 4.39Å; V28-V119 HydrophobicContact CG1-CG2 3.61Å; I31-V119 HydrophobicContact CG1-CG1 4.27Å; D117-V119 VanDerWaalsContact C-N 3.3Å; D117-V119 PolarHBondContact O-N 2.82Å; D117-V119 VanDerWaalsContact O-N 3.15Å; V119-S123 WeakPolarHBondContact O-CB 3.32Å; V119-S123 PolarHBondContact O-N 3.49Å; V119-S123 PolarHBondContact O-OG 2.78Å; V119-F133 HydrophobicContact CG1-CZ 4.48Å; V119-Y137 HydrophobicContact CG2-CE2 3.78Å
120Y98.8Very high98.8Very high24 Ų2421 Ų219%0.09410%0.097CC..Hα-helixtrans-64.9-48.5178.4173-100.3000110.9I31 P34 E35 D117 A122 S123 L124 W222I31-Y120 HydrophobicContact CD1-CD2 4.34Å; P34-Y120 HydrophobicContact CB-CD2 4.07Å; P34-Y120 HydrophobicContact CB-CE2 3.87Å; E35-Y120 VanDerWaalsContact O-CE2 3.29Å; E35-Y120 WeakPolarHBondContact O-CE2 3.39Å; E35-Y120 PolarHBondContact O-OH 3.39Å; D117-Y120 WeakPolarHBondContact O-CB 3.21Å; D117-Y120 PolarHBondContact O-N 2.7Å; Y120-A122 PolarHBondContact O-N 2.98Å; Y120-S123 PolarHBondContact O-N 2.92Å; Y120-L124 HydrophobicContact CE1-CD2 4.04Å; Y120-L124 WeakPolarHBondContact O-CB 3.45Å; Y120-L124 PolarHBondContact O-N 3.32Å; Y120-W222 AromaticContact CD1-CD1 3.62Å; Y120-W222 HydrophobicContact CD1-CD2 4.31Å; Y120-W222 HydrophobicContact CD1-CG 4.05Å; Y120-W222 AromaticContact CD1-NE1 3.6Å; Y120-W222 HydrophobicContact CE1-CB 4.14Å; Y120-W222 AromaticContact CE1-CD1 3.56Å; Y120-W222 AromaticContact CE1-CD2 3.63Å; Y120-W222 HydrophobicContact CE1-CD2 3.63Å; Y120-W222 AromaticContact CE1-CE2 3.79Å; Y120-W222 HydrophobicContact CE1-CE3 4.37Å; Y120-W222 AromaticContact CE1-CG 3.49Å; Y120-W222 HydrophobicContact CE1-CG 3.49Å; Y120-W222 VanDerWaalsContact CE1-CG 3.49Å; Y120-W222 AromaticContact CE1-NE1 3.71Å
121L98.9Very high98.8Very high0 Ų021 Ų210%010%0.097CC..Hα-helixtrans-60.7-45.6177.6-80.2169.9000112.1I114 D117 S123 L124 E125 L141 L191 W222 V223 L226I114-L121 HydrophobicContact CB-CD1 4.29Å; I114-L121 HydrophobicContact CG1-CD1 4.29Å; I114-L121 HydrophobicContact CG2-CD1 3.86Å; D117-L121 HydrophobicContact CB-CD1 4.37Å; D117-L121 PolarHBondContact O-N 3.28Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 2.75Å; L121-L124 PolarHBondContact O-N 3.31Å; L121-E125 WeakPolarHBondContact O-CB 3.43Å; L121-E125 PolarHBondContact O-N 3.41Å; L121-L141 HydrophobicContact CB-CD1 4.04Å; L121-L141 HydrophobicContact CB-CD2 4.47Å; L121-L141 HydrophobicContact CB-CG 4.46Å; L121-L141 HydrophobicContact CD1-CD1 4.14Å; L121-L191 HydrophobicContact CB-CD1 4.12Å; L121-L191 HydrophobicContact CD2-CD1 4.16Å; L121-L191 HydrophobicContact CD2-CD2 4.09Å; L121-W222 HydrophobicContact CD2-CB 4.06Å; L121-W222 HydrophobicContact CD2-CG 4.24Å; L121-V223 HydrophobicContact CD1-CG2 4.48Å; L121-V223 HydrophobicContact CD2-CG2 4.16Å; L121-L226 HydrophobicContact CD1-CD1 4.21Å
122A98.8Very high98.8Very high0 Ų021 Ų210%010%0.098CC..Hα-helixtrans-64.3-36.6177.300000112.5R118 Y120 T126 F133 S136 Y137 L141R118-A122 WeakPolarHBondContact O-CB 3.07Å; R118-A122 PolarHBondContact O-N 3.11Å; Y120-A122 PolarHBondContact O-N 2.98Å; A122-T126 WeakPolarHBondContact O-CB 3.4Å; A122-T126 PolarHBondContact O-N 2.99Å; A122-T126 PolarHBondContact O-OG1 3.26Å; A122-F133 HydrophobicContact CB-CD2 4.05Å; A122-F133 HydrophobicContact CB-CE2 3.66Å; A122-F133 HydrophobicContact CB-CZ 4.49Å; A122-S136 WeakPolarHBondContact O-CB 3.09Å; A122-Y137 HydrophobicContact CB-CD2 4.02Å; A122-Y137 HydrophobicContact CB-CG 4.45Å; A122-L141 HydrophobicContact CB-CD2 4.28Å
123S98.8Very high98.8Very high0 Ų017.7 Ų17.70%08%0.08CC..Hα-helixtrans-68.1-40.7176-570000111.6I31 V119 Y120 L121 L127 F133 F354I31-S123 PolarHBondContact N-OG 2.91Å; I31-S123 WeakPolarHBondContact O-CB 3.49Å; V119-S123 WeakPolarHBondContact O-CB 3.32Å; V119-S123 PolarHBondContact O-N 3.49Å; V119-S123 PolarHBondContact O-OG 2.78Å; Y120-S123 PolarHBondContact O-N 2.92Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 2.75Å; S123-L127 WeakPolarHBondContact O-CB 3.36Å; S123-L127 PolarHBondContact O-N 3.4Å; S123-F133 WeakPolarHBondContact OG-CE2 3.23Å; S123-F354 WeakPolarHBondContact O-CZ 3.3Å
124L98.7Very high98.7Very high2 Ų218.8 Ų18.81%0.019%0.089CC..Hα-helixtrans-69.1-41.7177.7-17357.2000111.7P34 I36 Y120 L121 T126 L127 D128 L218 W222P34-L124 HydrophobicContact CG-CB 4.5Å; P34-L124 HydrophobicContact CG-CD1 4.34Å; I36-L124 HydrophobicContact CD1-CD1 3.44Å; I36-L124 VanDerWaalsContact CD1-CD1 3.44Å; Y120-L124 HydrophobicContact CE1-CD2 4.04Å; Y120-L124 WeakPolarHBondContact O-CB 3.45Å; Y120-L124 PolarHBondContact O-N 3.32Å; L121-L124 PolarHBondContact O-N 3.31Å; L124-T126 VanDerWaalsContact C-N 3.35Å; L124-T126 PolarHBondContact O-N 3.16Å; L124-L127 HydrophobicContact CD1-CD2 4.41Å; L124-L127 PolarHBondContact O-N 3.12Å; L124-D128 WeakPolarHBondContact O-CB 3.32Å; L124-D128 PolarHBondContact O-N 2.98Å; L124-L218 HydrophobicContact CD1-CB 3.85Å; L124-L218 HydrophobicContact CD1-CD1 4.02Å; L124-L218 HydrophobicContact CD2-CB 4.07Å; L124-L218 HydrophobicContact CG-CB 4.01Å; L124-W222 HydrophobicContact CD2-CB 4.45Å
125E98.8Very high98.6Very high0 Ų019.8 Ų19.80%010%0.095CC..Hα-helixtrans-57.7-48.3173.7-16480.8155.100110.4L121 L127 D128 N129 K131 P190 L191 S219L121-E125 WeakPolarHBondContact O-CB 3.43Å; L121-E125 PolarHBondContact O-N 3.41Å; E125-L127 PolarHBondContact O-N 3.35Å; E125-D128 PolarHBondContact O-N 2.91Å; E125-N129 WeakPolarHBondContact O-CB 3.31Å; E125-N129 PolarHBondContact O-N 2.92Å; E125-K131 HydrophobicContact CG-CD 4.22Å; E125-P190 WeakPolarHBondContact OE1-CB 3.19Å; E125-P190 WeakPolarHBondContact OE1-CD 3.38Å; E125-L191 HydrophobicContact CB-CD1 4.35Å; E125-L191 HydrophobicContact CG-CD1 4.42Å; E125-L191 PolarHBondContact OE1-N 2.81Å; E125-L191 WeakPolarHBondContact OE2-CG 3.3Å; E125-S219 WeakPolarHBondContact OE2-CB 3.17Å; E125-S219 PolarHBondContact OE2-OG 2.82Å
126T98.9Very high98.6Very high0 Ų015.9 Ų15.90%08%0.076CC..Hα-helixtrans-64.4-38.2177-760000113.1A122 L124 G130 K131 F133 S136 P353 F354A122-T126 WeakPolarHBondContact O-CB 3.4Å; A122-T126 PolarHBondContact O-N 2.99Å; A122-T126 PolarHBondContact O-OG1 3.26Å; L124-T126 VanDerWaalsContact C-N 3.35Å; L124-T126 PolarHBondContact O-N 3.16Å; T126-G130 VanDerWaalsContact O-CA 3.25Å; T126-G130 WeakPolarHBondContact O-CA 3.2Å; T126-G130 PolarHBondContact O-N 3.2Å; T126-K131 WeakPolarHBondContact CB-O 3.38Å; T126-K131 VanDerWaalsContact CG2-O 3.23Å; T126-K131 WeakPolarHBondContact CG2-O 3.28Å; T126-K131 PolarHBondContact OG1-O 3.08Å; T126-F133 HydrophobicContact CG2-CB 4.31Å; T126-F133 WeakPolarHBondContact OG1-CA 3.49Å; T126-F133 PolarHBondContact OG1-N 2.95Å; T126-S136 PolarHBondContact OG1-OG 2.84Å; T126-P353 HydrophobicContact CG2-CB 3.79Å; T126-P353 HydrophobicContact CG2-CG 3.91Å; T126-F354 HydrophobicContact CG2-CD1 4Å; T126-F354 HydrophobicContact CG2-CD2 4.07Å; T126-F354 HydrophobicContact CG2-CE1 3.82Å; T126-F354 HydrophobicContact CG2-CE2 3.86Å; T126-F354 HydrophobicContact CG2-CG 4.15Å; T126-F354 HydrophobicContact CG2-CZ 3.75Å
127L98.8Very high98.6Very high17 Ų1711.9 Ų11.99%0.0896%0.061CC..Hα-helixtrans-63.2-46.1178.6-178.871.1000112.1P34 I36 N60 I67 S123 L124 E125 F354P34-L127 HydrophobicContact CG-CB 4.38Å; P34-L127 HydrophobicContact CG-CD2 3.87Å; I36-L127 HydrophobicContact CD1-CD2 4.14Å; N60-L127 HydrophobicContact CB-CD1 4.44Å; N60-L127 WeakPolarHBondContact ND2-CD1 3.36Å; I67-L127 HydrophobicContact CD1-CD2 4.28Å; I67-L127 HydrophobicContact CD1-CG 3.88Å; I67-L127 HydrophobicContact CG1-CD2 4.29Å; I67-L127 HydrophobicContact CG1-CG 4.13Å; I67-L127 HydrophobicContact CG2-CD2 3.79Å; S123-L127 WeakPolarHBondContact O-CB 3.36Å; S123-L127 PolarHBondContact O-N 3.4Å; L124-L127 HydrophobicContact CD1-CD2 4.41Å; L124-L127 PolarHBondContact O-N 3.12Å; E125-L127 PolarHBondContact O-N 3.35Å; L127-F354 HydrophobicContact CB-CE2 4.5Å; L127-F354 HydrophobicContact CB-CZ 4.19Å; L127-F354 HydrophobicContact CD1-CE2 4.34Å
128D98.8Very high98.6Very high1 Ų113 Ų131%0.0057%0.068CC..Hα-helixtrans-88-33.5-170.3-148.933.2000112T58 I67 L124 E125 T216 P217 L218T58-D128 WeakPolarHBondContact CG2-OD1 3.13Å; T58-D128 PolarHBondContact OG1-OD1 3.22Å; I67-D128 HydrophobicContact CD1-CB 4.32Å; I67-D128 VanDerWaalsContact CD1-OD1 3.3Å; I67-D128 WeakPolarHBondContact CD1-OD1 3.37Å; L124-D128 WeakPolarHBondContact O-CB 3.32Å; L124-D128 PolarHBondContact O-N 2.98Å; E125-D128 PolarHBondContact O-N 2.91Å; D128-T216 VanDerWaalsContact OD2-C 3.25Å; D128-T216 WeakPolarHBondContact OD2-CA 3.34Å; D128-P217 WeakPolarHBondContact OD2-CD 3.47Å; D128-L218 HydrophobicContact CB-CD1 4.37Å; D128-L218 WeakPolarHBondContact OD1-CD1 3.13Å; D128-L218 WeakPolarHBondContact OD2-CB 3.45Å; D128-L218 VanDerWaalsContact OD2-CG 3.24Å; D128-L218 WeakPolarHBondContact OD2-CG 3.24Å; D128-L218 PolarHBondContact OD2-N 3.07Å; D128-L218 VanDerWaalsContact OD2-N 3.07Å
129N98.9Very high98.5Very high1 Ų113.4 Ų13.41%0.0057%0.072CC..Hα-helixtrans-97.9-31.6-179.8170.9-87.6000114.1P61 E125 K131 W187 N188 P190 T216P61-N129 WeakPolarHBondContact CG-O 3.39Å; E125-N129 WeakPolarHBondContact O-CB 3.31Å; E125-N129 PolarHBondContact O-N 2.92Å; N129-K131 WeakPolarHBondContact OD1-CB 3.14Å; N129-K131 WeakPolarHBondContact OD1-CE 3.34Å; N129-K131 PolarHBondContact OD1-N 3.15Å; N129-K131 VanDerWaalsContact OD1-N 3.09Å; N129-W187 PolarHBondContact ND2-O 3.18Å; N129-N188 PolarHBondContact ND2-O 3.47Å; N129-P190 HydrophobicContact CB-CG 4.46Å; N129-T216 HydrophobicContact CB-CG2 3.9Å
130G98.7Very high98.5Very high0 Ų011.2 Ų11.20%06%0.059CC..  trans92.4-9.3-176.900000116.1T126 P353 G361 P362T126-G130 VanDerWaalsContact O-CA 3.25Å; T126-G130 WeakPolarHBondContact O-CA 3.2Å; T126-G130 PolarHBondContact O-N 3.2Å; G130-P353 WeakPolarHBondContact O-CB 3.25Å; G130-P353 WeakPolarHBondContact O-CG 3.27Å; G130-G361 WeakPolarHBondContact O-CA 3.34Å; G130-P362 VanDerWaalsContact O-CD 3.25Å; G130-P362 WeakPolarHBondContact O-CD 3.46Å
131K98.8Very high98.5Very high0 Ų010.1 Ų10.10%05%0.054CC..  trans-61.1149.1175.770.3-176.568-163.80112.5E125 T126 N129 F133 S136 D140 N188 F189 N316E125-K131 HydrophobicContact CG-CD 4.22Å; T126-K131 WeakPolarHBondContact CB-O 3.38Å; T126-K131 VanDerWaalsContact CG2-O 3.23Å; T126-K131 WeakPolarHBondContact CG2-O 3.28Å; T126-K131 PolarHBondContact OG1-O 3.08Å; N129-K131 WeakPolarHBondContact OD1-CB 3.14Å; N129-K131 WeakPolarHBondContact OD1-CE 3.34Å; N129-K131 PolarHBondContact OD1-N 3.15Å; N129-K131 VanDerWaalsContact OD1-N 3.09Å; K131-F133 PolarHBondContact O-N 2.99Å; K131-S136 WeakPolarHBondContact CD-OG 3.26Å; K131-S136 WeakPolarHBondContact CG-OG 3.35Å; K131-D140 IonicContact NZ-OD1 2.76Å; K131-D140 IonicContact NZ-OD2 2.92Å; K131-D140 PolarHBondContact NZ-OD2 3.4Å; K131-N188 PolarHBondContact NZ-O 2.64Å; K131-F189 VanDerWaalsContact NZ-CD1 3.31Å; K131-N316 WeakPolarHBondContact CE-OD1 3.2Å
132P98.7Very high98.5Very high2 Ų212.3 Ų12.31%0.0137%0.066CC..  trans-52.3137.3177.3-26.134.5000112.5A134 D135 S136 P353 T358P132-A134 PolarHBondContact O-N 3.06Å; P132-D135 HydrophobicContact CB-CB 4.43Å; P132-D135 WeakPolarHBondContact O-CA 3.27Å; P132-D135 WeakPolarHBondContact O-CB 3.41Å; P132-D135 PolarHBondContact O-N 2.71Å; P132-S136 PolarHBondContact O-N 3.24Å; P132-P353 CarbonylContact C-O 3.47Å; P132-P353 WeakPolarHBondContact CA-O 3.37Å; P132-T358 HydrophobicContact CG-CG2 4.35Å
133F98.7Very high98.5Very high4 Ų414.1 Ų14.12%0.0188%0.076CC..Hα-helixtrans-56.3-37.3178.3171.3-100.6000112.4V28 P30 V119 A122 S123 T126 K131 D135 S136 Y137 P353 F354 L356V28-F133 HydrophobicContact CG1-CZ 4.29Å; P30-F133 HydrophobicContact CB-CB 4.4Å; P30-F133 HydrophobicContact CB-CD1 3.81Å; P30-F133 HydrophobicContact CB-CD2 3.66Å; P30-F133 HydrophobicContact CB-CE1 3.91Å; P30-F133 HydrophobicContact CB-CE2 3.76Å; P30-F133 HydrophobicContact CB-CG 3.67Å; P30-F133 HydrophobicContact CB-CZ 3.88Å; P30-F133 HydrophobicContact CG-CD1 4.14Å; P30-F133 HydrophobicContact CG-CE1 4.39Å; P30-F133 HydrophobicContact CG-CG 4.32Å; V119-F133 HydrophobicContact CG1-CZ 4.48Å; A122-F133 HydrophobicContact CB-CD2 4.05Å; A122-F133 HydrophobicContact CB-CE2 3.66Å; A122-F133 HydrophobicContact CB-CZ 4.49Å; S123-F133 WeakPolarHBondContact OG-CE2 3.23Å; T126-F133 HydrophobicContact CG2-CB 4.31Å; T126-F133 WeakPolarHBondContact OG1-CA 3.49Å; T126-F133 PolarHBondContact OG1-N 2.95Å; K131-F133 PolarHBondContact O-N 2.99Å; F133-D135 PolarHBondContact O-N 3.21Å; F133-S136 PolarHBondContact O-N 3.44Å; F133-Y137 HydrophobicContact CZ-CD2 4.18Å; F133-Y137 HydrophobicContact CZ-CG 4.37Å; F133-Y137 WeakPolarHBondContact O-CB 3.41Å; F133-Y137 PolarHBondContact O-N 3.41Å; F133-P353 PolarHBondContact N-O 3.41Å; F133-F354 HydrophobicContact CB-CD1 4.33Å; F133-L356 HydrophobicContact CD1-CD2 3.87Å; F133-L356 HydrophobicContact CE1-CD2 4.44Å
134A97.4Very high98.5Very high27 Ų2714.2 Ų14.222%0.2238%0.076CC..Hα-helixtrans-59.7-36.9175.800000112.1P132 N138P132-A134 PolarHBondContact O-N 3.06Å; A134-N138 WeakPolarHBondContact O-CB 3.31Å; A134-N138 PolarHBondContact O-N 3.36Å; A134-N138 PolarHBondContact O-ND2 3.03Å
135D97.9Very high98.5Very high21 Ų2114.3 Ų14.311%0.1128%0.076CC..Hα-helixtrans-75.1-45.3177.4-66.6-13.5000110.3P132 F133 Y137 I139 D140P132-D135 HydrophobicContact CB-CB 4.43Å; P132-D135 WeakPolarHBondContact O-CA 3.27Å; P132-D135 WeakPolarHBondContact O-CB 3.41Å; P132-D135 PolarHBondContact O-N 2.71Å; F133-D135 PolarHBondContact O-N 3.21Å; D135-Y137 VanDerWaalsContact C-N 3.32Å; D135-Y137 PolarHBondContact O-N 3.05Å; D135-I139 HydrophobicContact CB-CD1 4.23Å; D135-I139 WeakPolarHBondContact O-CA 3.29Å; D135-I139 VanDerWaalsContact O-CB 3.27Å; D135-I139 WeakPolarHBondContact O-CB 3.27Å; D135-I139 PolarHBondContact O-N 3.43Å; D135-D140 PolarHBondContact O-N 3.44Å; D135-D140 VanDerWaalsContact O-N 3.12Å
136S98.6Very high98.5Very high0 Ų019.6 Ų19.60%010%0.099CC..Iπ-helixtrans-52.3-50.2173.5-62.60000111.7A122 T126 K131 P132 F133 L141A122-S136 WeakPolarHBondContact O-CB 3.09Å; T126-S136 PolarHBondContact OG1-OG 2.84Å; K131-S136 WeakPolarHBondContact CD-OG 3.26Å; K131-S136 WeakPolarHBondContact CG-OG 3.35Å; P132-S136 PolarHBondContact O-N 3.24Å; F133-S136 PolarHBondContact O-N 3.44Å; S136-L141 WeakPolarHBondContact O-CD2 3.16Å; S136-L141 PolarHBondContact O-N 3.11Å
137Y98.5Very high98.5Very high45 Ų4519.7 Ų19.718%0.17610%0.1CC..Iπ-helixtrans-73.9-47.7-174.8-172.6-91000112.7V28 R118 V119 A122 F133 D135V28-Y137 HydrophobicContact CB-CE1 4.35Å; V28-Y137 HydrophobicContact CG1-CD2 4.28Å; V28-Y137 HydrophobicContact CG1-CE1 4.46Å; V28-Y137 HydrophobicContact CG1-CE2 3.84Å; V28-Y137 HydrophobicContact CG2-CE1 4.04Å; R118-Y137 HydrophobicContact CB-CE2 4.09Å; R118-Y137 HydrophobicContact CG-CD2 3.83Å; R118-Y137 HydrophobicContact CG-CE2 3.55Å; R118-Y137 VanDerWaalsContact CZ-O 3.31Å; R118-Y137 PolarHBondContact NE-O 3.2Å; R118-Y137 PolarHBondContact NH2-O 3.19Å; V119-Y137 HydrophobicContact CG2-CE2 3.78Å; A122-Y137 HydrophobicContact CB-CD2 4.02Å; A122-Y137 HydrophobicContact CB-CG 4.45Å; F133-Y137 HydrophobicContact CZ-CD2 4.18Å; F133-Y137 HydrophobicContact CZ-CG 4.37Å; F133-Y137 WeakPolarHBondContact O-CB 3.41Å; F133-Y137 PolarHBondContact O-N 3.41Å; D135-Y137 VanDerWaalsContact C-N 3.32Å; D135-Y137 PolarHBondContact O-N 3.05Å
138N97.5Very high98.5Very high52 Ų5218.9 Ų18.928%0.27810%0.096SC..Iπ-helixtrans-89.5-22.6-170.6-61.6-63.8000113.8T17 A134 D142T17-N138 HydrophobicContact CG2-CB 4.29Å; A134-N138 WeakPolarHBondContact O-CB 3.31Å; A134-N138 PolarHBondContact O-N 3.36Å; A134-N138 PolarHBondContact O-ND2 3.03Å; N138-D142 WeakPolarHBondContact O-CB 3.34Å
139I97.6Very high98.5Very high39 Ų3922.9 Ų22.920%0.211%0.111CC..Iπ-helixtrans-112.5-67.5-175.4-53.7174.5000109.9D135 L141 D142 L143 F315D135-I139 HydrophobicContact CB-CD1 4.23Å; D135-I139 WeakPolarHBondContact O-CA 3.29Å; D135-I139 VanDerWaalsContact O-CB 3.27Å; D135-I139 WeakPolarHBondContact O-CB 3.27Å; D135-I139 PolarHBondContact O-N 3.43Å; I139-L141 PolarHBondContact O-N 2.86Å; I139-D142 PolarHBondContact O-N 3.12Å; I139-L143 HydrophobicContact CG2-CD1 4Å; I139-L143 WeakPolarHBondContact O-CG 3.36Å; I139-L143 PolarHBondContact O-N 2.69Å; I139-F315 HydrophobicContact CD1-CE2 3.79Å; I139-F315 HydrophobicContact CD1-CZ 4.39Å; I139-F315 HydrophobicContact CG2-CE2 4.44Å; I139-F315 HydrophobicContact CG2-CZ 4Å
140D98.5Very high98.5Very high1 Ų125.2 Ų25.21%0.00512%0.12CC..Iπ-helixtrans-57.6-56.5-174-78.752.2000111.7K131 D135 D142 L143 V144 F189K131-D140 IonicContact NZ-OD1 2.76Å; K131-D140 IonicContact NZ-OD2 2.92Å; K131-D140 PolarHBondContact NZ-OD2 3.4Å; D135-D140 PolarHBondContact O-N 3.44Å; D135-D140 VanDerWaalsContact O-N 3.12Å; D140-D142 VanDerWaalsContact C-N 3.29Å; D140-D142 PolarHBondContact O-N 3.33Å; D140-L143 PolarHBondContact O-N 3.01Å; D140-V144 WeakPolarHBondContact O-CG2 3.41Å; D140-V144 PolarHBondContact O-N 2.82Å; D140-F189 WeakPolarHBondContact OD2-CD1 3.27Å
141L98.7Very high98.5Very high0 Ų025.2 Ų25.20%012%0.12CC..Hα-helixtrans-66.6-31.1-177.1-90.7-64.3000112.6I114 R118 L121 A122 S136 I139 V144 I145 L191I114-L141 HydrophobicContact CG2-CD1 3.62Å; R118-L141 HydrophobicContact CG-CB 3.85Å; R118-L141 HydrophobicContact CG-CD1 4.49Å; R118-L141 HydrophobicContact CG-CG 4Å; L121-L141 HydrophobicContact CB-CD1 4.04Å; L121-L141 HydrophobicContact CB-CD2 4.47Å; L121-L141 HydrophobicContact CB-CG 4.46Å; L121-L141 HydrophobicContact CD1-CD1 4.14Å; A122-L141 HydrophobicContact CB-CD2 4.28Å; S136-L141 WeakPolarHBondContact O-CD2 3.16Å; S136-L141 PolarHBondContact O-N 3.11Å; I139-L141 PolarHBondContact O-N 2.86Å; L141-V144 PolarHBondContact O-N 2.84Å; L141-I145 WeakPolarHBondContact O-CB 3.34Å; L141-I145 VanDerWaalsContact O-CD1 3.3Å; L141-I145 WeakPolarHBondContact O-CD1 3.44Å; L141-I145 WeakPolarHBondContact O-CG1 3.24Å; L141-I145 PolarHBondContact O-N 3.07Å; L141-L191 HydrophobicContact CD1-CD1 4.13Å; L141-L191 HydrophobicContact CD2-CD1 3.56Å
142D98.4Very high98.5Very high46 Ų4625.4 Ų25.425%0.24612%0.122CC..Hα-helixtrans-63.6-47.3173.8-173.865.2000111.1N138 I139 D140 I145 K146N138-D142 WeakPolarHBondContact O-CB 3.34Å; I139-D142 PolarHBondContact O-N 3.12Å; D140-D142 VanDerWaalsContact C-N 3.29Å; D140-D142 PolarHBondContact O-N 3.33Å; D142-I145 PolarHBondContact O-N 3.42Å; D142-K146 WeakPolarHBondContact O-CB 3.3Å; D142-K146 VanDerWaalsContact O-CG 3.3Å; D142-K146 WeakPolarHBondContact O-CG 3.23Å; D142-K146 PolarHBondContact O-N 3.36Å; D142-K146 IonicContact OD1-NZ 2.73Å; D142-K146 WeakPolarHBondContact OD2-CE 2.99Å; D142-K146 IonicContact OD2-NZ 2.78Å; D142-K146 PolarHBondContact OD2-NZ 3.11Å
143L98.6Very high98.5Very high39 Ų3926.9 Ų26.920%0.20414%0.137CC..Hα-helixtrans-66.4-37.6177.6-68.6173.3000112.1I139 D140 K146 C147 L192I139-L143 HydrophobicContact CG2-CD1 4Å; I139-L143 WeakPolarHBondContact O-CG 3.36Å; I139-L143 PolarHBondContact O-N 2.69Å; D140-L143 PolarHBondContact O-N 3.01Å; L143-K146 PolarHBondContact O-N 3.34Å; L143-C147 WeakPolarHBondContact O-CB 3.23Å; L143-C147 PolarHBondContact O-N 3.03Å; L143-L192 HydrophobicContact CB-CD1 3.54Å; L143-L192 HydrophobicContact CB-CD2 4.32Å; L143-L192 HydrophobicContact CD1-CD2 3.99Å
144V98.9Very high98.6Very high1 Ų129.2 Ų29.21%0.00615%0.146CC..Hα-helixtrans-58.9-53174.6166.90000110.9I114 D140 L141 K146 C147 Y148 L191 L192 A195I114-V144 HydrophobicContact CD1-CG1 4.15Å; I114-V144 HydrophobicContact CG2-CG1 4.06Å; D140-V144 WeakPolarHBondContact O-CG2 3.41Å; D140-V144 PolarHBondContact O-N 2.82Å; L141-V144 PolarHBondContact O-N 2.84Å; V144-K146 VanDerWaalsContact C-N 3.35Å; V144-K146 PolarHBondContact O-N 3.42Å; V144-C147 PolarHBondContact O-N 3.12Å; V144-Y148 HydrophobicContact CG1-CD2 3.9Å; V144-Y148 HydrophobicContact CG1-CE2 3.79Å; V144-Y148 WeakPolarHBondContact O-CD2 3.41Å; V144-Y148 PolarHBondContact O-N 3.38Å; V144-L191 HydrophobicContact CG2-CB 3.81Å; V144-L192 HydrophobicContact CG2-CB 4.19Å; V144-L192 HydrophobicContact CG2-CD1 4.17Å; V144-A195 HydrophobicContact CB-CB 4.37Å; V144-A195 HydrophobicContact CG1-CB 4.07Å; V144-A195 HydrophobicContact CG2-CB 4.28Å
145I98.9Very high98.6Very high4 Ų428.3 Ų28.32%0.02114%0.138CC..Hα-helixtrans-61.9-45.5-178.4-68.7162.2000110A111 I114 E115 L141 D142 C147 Y148 R149A111-I145 HydrophobicContact CB-CG2 4.45Å; I114-I145 HydrophobicContact CG2-CD1 4.4Å; I114-I145 HydrophobicContact CG2-CG1 3.84Å; E115-I145 HydrophobicContact CB-CD1 3.81Å; E115-I145 HydrophobicContact CB-CG1 4.43Å; E115-I145 HydrophobicContact CG-CD1 4.1Å; L141-I145 WeakPolarHBondContact O-CB 3.34Å; L141-I145 VanDerWaalsContact O-CD1 3.3Å; L141-I145 WeakPolarHBondContact O-CD1 3.44Å; L141-I145 WeakPolarHBondContact O-CG1 3.24Å; L141-I145 PolarHBondContact O-N 3.07Å; D142-I145 PolarHBondContact O-N 3.42Å; I145-C147 VanDerWaalsContact C-N 3.34Å; I145-C147 PolarHBondContact O-N 3.05Å; I145-Y148 PolarHBondContact O-N 3.42Å; I145-R149 WeakPolarHBondContact O-CB 3.33Å; I145-R149 WeakPolarHBondContact O-CG 3.44Å; I145-R149 PolarHBondContact O-N 3.4Å
146K98.9Very high98.7Very high112 Ų11230.8 Ų30.849%0.48715%0.152SC..Hα-helixtrans-61.6-40.2176.1-75.2172.3177.1170.80112.4D142 L143 V144 R149 Y150D142-K146 WeakPolarHBondContact O-CB 3.3Å; D142-K146 VanDerWaalsContact O-CG 3.3Å; D142-K146 WeakPolarHBondContact O-CG 3.23Å; D142-K146 PolarHBondContact O-N 3.36Å; D142-K146 IonicContact OD1-NZ 2.73Å; D142-K146 WeakPolarHBondContact OD2-CE 2.99Å; D142-K146 IonicContact OD2-NZ 2.78Å; D142-K146 PolarHBondContact OD2-NZ 3.11Å; L143-K146 PolarHBondContact O-N 3.34Å; V144-K146 VanDerWaalsContact C-N 3.35Å; V144-K146 PolarHBondContact O-N 3.42Å; K146-R149 PolarHBondContact O-N 2.89Å; K146-Y150 WeakPolarHBondContact O-CB 3.14Å; K146-Y150 PolarHBondContact O-N 3.08Å
147C98.9Very high98.7Very high1 Ų135.6 Ų35.61%0.00717%0.172CC..Hα-helixtrans-63.4-48.8179.1-1760000111.7L143 V144 I145 Y150 Y151 A195L143-C147 WeakPolarHBondContact O-CB 3.23Å; L143-C147 PolarHBondContact O-N 3.03Å; V144-C147 PolarHBondContact O-N 3.12Å; I145-C147 VanDerWaalsContact C-N 3.34Å; I145-C147 PolarHBondContact O-N 3.05Å; C147-Y150 PolarHBondContact O-N 3.04Å; C147-Y151 WeakPolarHBondContact O-CD2 3.48Å; C147-Y151 PolarHBondContact O-N 3.17Å; C147-A195 HydrophobicContact CB-CB 4.24Å
148Y98.9Very high98.7Very high0 Ų036.1 Ų36.10%017%0.174CC..Hα-helixtrans-62.4-45.3176.6-76.8-61000112.1L107 L110 I114 V144 I145 Y150 Y151 A152 A195 L198L107-Y148 HydrophobicContact CD2-CD1 3.89Å; L107-Y148 HydrophobicContact CD2-CE1 4.42Å; L110-Y148 HydrophobicContact CD2-CD1 4.12Å; L110-Y148 HydrophobicContact CD2-CE1 3.76Å; L110-Y148 HydrophobicContact CD2-CE2 4.36Å; I114-Y148 HydrophobicContact CD1-CD2 3.7Å; I114-Y148 HydrophobicContact CD1-CE2 3.46Å; I114-Y148 VanDerWaalsContact CD1-CE2 3.46Å; V144-Y148 HydrophobicContact CG1-CD2 3.9Å; V144-Y148 HydrophobicContact CG1-CE2 3.79Å; V144-Y148 WeakPolarHBondContact O-CD2 3.41Å; V144-Y148 PolarHBondContact O-N 3.38Å; I145-Y148 PolarHBondContact O-N 3.42Å; Y148-Y150 VanDerWaalsContact C-N 3.33Å; Y148-Y150 PolarHBondContact O-N 3.32Å; Y148-Y151 PolarHBondContact O-N 2.9Å; Y148-A152 WeakPolarHBondContact O-CB 3.33Å; Y148-A152 PolarHBondContact O-N 2.93Å; Y148-A195 HydrophobicContact CD2-CB 4.02Å; Y148-A195 HydrophobicContact CE1-CB 4.45Å; Y148-A195 HydrophobicContact CE2-CB 3.56Å; Y148-L198 HydrophobicContact CE1-CB 3.89Å
149R98.9Very high98.8Very high85 Ų8540.4 Ų40.432%0.32119%0.193SC..Hα-helixtrans-62.8-38.1177.1-72.7178.8171.3152.7-0.4112.3A111 D112 E115 I145 K146 A152 G153A111-R149 HydrophobicContact CB-CG 3.7Å; D112-R149 IonicContact OD1-CZ 3.65Å; D112-R149 IonicContact OD1-NE 2.83Å; D112-R149 IonicContact OD1-NH2 2.8Å; D112-R149 PolarHBondContact OD1-NH2 2.8Å; E115-R149 IonicContact OE1-NH1 2.75Å; E115-R149 PolarHBondContact OE1-NH1 2.85Å; E115-R149 IonicContact OE2-CZ 3.52Å; E115-R149 IonicContact OE2-NH1 3.31Å; E115-R149 PolarHBondContact OE2-NH1 2.85Å; E115-R149 IonicContact OE2-NH2 3.7Å; E115-R149 PolarHBondContact OE2-NH2 3.37Å; I145-R149 WeakPolarHBondContact O-CB 3.33Å; I145-R149 WeakPolarHBondContact O-CG 3.44Å; I145-R149 PolarHBondContact O-N 3.4Å; K146-R149 PolarHBondContact O-N 2.89Å; R149-A152 WeakPolarHBondContact O-CB 3.48Å; R149-A152 PolarHBondContact O-N 3Å; R149-G153 PolarHBondContact O-N 2.84Å
150Y98.9Very high98.8Very high50 Ų5040 Ų4020%0.19620%0.199CC..Hα-helixtrans-61.3-51.6175.6174.2-97.4000111.5K146 C147 Y148 A152 G153 W154 A480 A481 G497 E498K146-Y150 WeakPolarHBondContact O-CB 3.14Å; K146-Y150 PolarHBondContact O-N 3.08Å; C147-Y150 PolarHBondContact O-N 3.04Å; Y148-Y150 VanDerWaalsContact C-N 3.33Å; Y148-Y150 PolarHBondContact O-N 3.32Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-A152 PolarHBondContact O-N 2.82Å; Y150-G153 PolarHBondContact O-N 2.78Å; Y150-G153 VanDerWaalsContact O-N 3.13Å; Y150-W154 AromaticContact CE1-CD1 3.5Å; Y150-W154 VanDerWaalsContact CE1-CD1 3.5Å; Y150-W154 AromaticContact CE1-NE1 3.41Å; Y150-W154 AromaticContact CE2-NE1 3.65Å; Y150-W154 AromaticContact CZ-CD1 3.62Å; Y150-W154 AromaticContact CZ-NE1 3.03Å; Y150-W154 PolarHBondContact OH-NE1 2.74Å; Y150-A480 HydrophobicContact CD1-CB 3.86Å; Y150-A480 WeakPolarHBondContact CD1-O 3.24Å; Y150-A480 HydrophobicContact CD2-CB 4.2Å; Y150-A480 WeakPolarHBondContact CE1-O 3.35Å; Y150-A480 HydrophobicContact CG-CB 3.59Å; Y150-A481 HydrophobicContact CD2-CB 4.28Å; Y150-A481 VanDerWaalsContact CE2-CA 3.48Å; Y150-A481 HydrophobicContact CE2-CB 3.58Å; Y150-G497 VanDerWaalsContact OH-C 3.31Å; Y150-G497 WeakPolarHBondContact OH-CA 3.18Å; Y150-E498 PolarHBondContact OH-N 3.22Å
151Y99Very high98.8Very high0 Ų046.4 Ų46.40%023%0.226CC..Hα-helixtrans-72.8-26-179.5-76.8-64.4000113.8C147 Y148 G153 W154 A155 G199 P200 A203 L496 S500 L501C147-Y151 WeakPolarHBondContact O-CD2 3.48Å; C147-Y151 PolarHBondContact O-N 3.17Å; Y148-Y151 PolarHBondContact O-N 2.9Å; Y151-G153 PolarHBondContact O-N 3.25Å; Y151-W154 PolarHBondContact O-N 3.1Å; Y151-A155 PolarHBondContact O-N 3.28Å; Y151-G199 WeakPolarHBondContact CB-O 3.1Å; Y151-P200 HydrophobicContact CD1-CB 3.97Å; Y151-P200 HydrophobicContact CE1-CB 3.56Å; Y151-P200 HydrophobicContact CE1-CG 4.29Å; Y151-P200 HydrophobicContact CE2-CB 4.26Å; Y151-P200 HydrophobicContact CE2-CG 4.12Å; Y151-P200 HydrophobicContact CG-CB 4.46Å; Y151-A203 VanDerWaalsContact O-CB 3.27Å; Y151-A203 WeakPolarHBondContact O-CB 3.27Å; Y151-L496 HydrophobicContact CE2-CD2 4.32Å; Y151-L496 WeakPolarHBondContact OH-CA 3.22Å; Y151-L496 PolarHBondContact OH-N 3.32Å; Y151-S500 WeakPolarHBondContact OH-CB 3.46Å; Y151-S500 PolarHBondContact OH-OG 2.79Å; Y151-L501 HydrophobicContact CD1-CD2 3.87Å; Y151-L501 HydrophobicContact CE1-CD2 3.81Å; Y151-L501 HydrophobicContact CE1-CG 4.49Å
152A98.9Very high98.8Very high5 Ų552 Ų524%0.04126%0.261CS..Hα-helixtrans-55.2-39.4168.100000111.4G104 L107 N108 Y148 R149 Y150 W154 A155G104-A152 WeakPolarHBondContact CA-O 3.12Å; G104-A152 WeakPolarHBondContact O-CB 3.23Å; L107-A152 HydrophobicContact CB-CB 3.62Å; N108-A152 WeakPolarHBondContact ND2-CB 3.32Å; Y148-A152 WeakPolarHBondContact O-CB 3.33Å; Y148-A152 PolarHBondContact O-N 2.93Å; R149-A152 WeakPolarHBondContact O-CB 3.48Å; R149-A152 PolarHBondContact O-N 3Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-A152 PolarHBondContact O-N 2.82Å; A152-W154 VanDerWaalsContact C-N 3.26Å; A152-W154 PolarHBondContact O-N 2.85Å; A152-A155 PolarHBondContact O-N 3.04Å
153G98.9Very high98.8Very high33 Ų3352.8 Ų52.834%0.3426%0.264SS..THydrogen-bonded Turntrans-67-21.417600000114.8R149 Y150 Y151 K157R149-G153 PolarHBondContact O-N 2.84Å; Y150-G153 PolarHBondContact O-N 2.78Å; Y150-G153 VanDerWaalsContact O-N 3.13Å; Y151-G153 PolarHBondContact O-N 3.25Å; G153-K157 VanDerWaalsContact O-CD 3.27Å; G153-K157 WeakPolarHBondContact O-CD 3.37Å; G153-K157 WeakPolarHBondContact O-CE 3.35Å; G153-K157 PolarHBondContact O-NZ 3.35Å
154W98.9Very high98.8Very high53 Ų5356.6 Ų56.620%0.20129%0.291CS..THydrogen-bonded Turntrans-89.6-15.2-179.4-84.2108.2000114.7Y150 Y151 A152 D156 K157 E498 L501Y150-W154 AromaticContact CE1-CD1 3.5Å; Y150-W154 VanDerWaalsContact CE1-CD1 3.5Å; Y150-W154 AromaticContact CE1-NE1 3.41Å; Y150-W154 AromaticContact CE2-NE1 3.65Å; Y150-W154 AromaticContact CZ-CD1 3.62Å; Y150-W154 AromaticContact CZ-NE1 3.03Å; Y150-W154 PolarHBondContact OH-NE1 2.74Å; Y151-W154 PolarHBondContact O-N 3.1Å; A152-W154 VanDerWaalsContact C-N 3.26Å; A152-W154 PolarHBondContact O-N 2.85Å; W154-D156 PolarHBondContact O-N 2.81Å; W154-K157 HydrophobicContact CE3-CB 3.92Å; W154-K157 HydrophobicContact CZ3-CB 4.19Å; W154-K157 PolarHBondContact O-N 3.29Å; W154-E498 HydrophobicContact CH2-CB 3.91Å; W154-E498 HydrophobicContact CH2-CG 3.65Å; W154-E498 HydrophobicContact CZ2-CB 3.75Å; W154-E498 HydrophobicContact CZ2-CG 4.02Å; W154-E498 HydrophobicContact CZ3-CG 4.12Å; W154-L501 HydrophobicContact CB-CD1 3.94Å; W154-L501 HydrophobicContact CB-CD2 4.29Å; W154-L501 HydrophobicContact CD2-CD1 3.54Å; W154-L501 HydrophobicContact CE3-CD1 3.53Å; W154-L501 HydrophobicContact CG-CD1 3.74Å; W154-L501 HydrophobicContact CZ3-CD1 4.22Å
155A98.9Very high98.8Very high8 Ų858.5 Ų58.57%0.06630%0.303CS..THydrogen-bonded Turntrans-55.1-30.5-168.100000113.9A100 R103 Y151 A152 A203A100-A155 WeakPolarHBondContact CB-O 3.35Å; A100-A155 VanDerWaalsContact O-CB 3.23Å; A100-A155 WeakPolarHBondContact O-CB 3.49Å; R103-A155 HydrophobicContact CB-CB 4.21Å; R103-A155 PolarHBondContact NH2-O 3.44Å; Y151-A155 PolarHBondContact O-N 3.28Å; A152-A155 PolarHBondContact O-N 3.04Å; A155-A203 WeakPolarHBondContact CA-O 3.48Å; A155-A203 HydrophobicContact CB-CB 4.26Å
156D98.8Very high98.7Very high73 Ų7365.4 Ų65.439%0.3934%0.34SS..THydrogen-bonded Turntrans-11715.3179.764.2-5.1000114.7A100 W154A100-D156 HydrophobicContact CB-CB 3.88Å; W154-D156 PolarHBondContact O-N 2.81Å
157K98.9Very high98.7Very high100 Ų10062.1 Ų62.144%0.43534%0.337SS..THydrogen-bonded Turntrans-120.9-2.3-173.3-55.3-172.4-178.454.90115.4G153 W154 H159G153-K157 VanDerWaalsContact O-CD 3.27Å; G153-K157 WeakPolarHBondContact O-CD 3.37Å; G153-K157 WeakPolarHBondContact O-CE 3.35Å; G153-K157 PolarHBondContact O-NZ 3.35Å; W154-K157 HydrophobicContact CE3-CB 3.92Å; W154-K157 HydrophobicContact CZ3-CB 4.19Å; W154-K157 PolarHBondContact O-N 3.29Å; K157-H159 VanDerWaalsContact C-N 3.29Å; K157-H159 PolarHBondContact O-CE1 2.72Å; K157-H159 PolarHBondContact O-N 3.28Å; K157-H159 PolarHBondContact O-ND1 3.16Å
158Y98.7Very high98.7Very high56 Ų5665.7 Ų65.722%0.2236%0.356CS..  trans-87.666.2-179.8-160.7-117.3000112.5H175 E498 L501 T505Y158-H175 HydrophobicContact CD1-CB 4.47Å; Y158-H175 AromaticContact CD1-ND1 3.45Å; Y158-H175 WeakPolarHBondContact CD1-ND1 3.33Å; Y158-H175 AromaticContact CE1-CE1 3.93Å; Y158-H175 AromaticContact CE1-ND1 3.48Å; Y158-H175 WeakPolarHBondContact CE1-ND1 3.48Å; Y158-H175 PolarHBondContact O-ND1 2.92Å; Y158-H175 VanDerWaalsContact O-ND1 3.16Å; Y158-E498 HydrophobicContact CD2-CG 4.29Å; Y158-E498 HydrophobicContact CE2-CG 3.98Å; Y158-L501 HydrophobicContact CD1-CB 4.04Å; Y158-L501 HydrophobicContact CD2-CB 3.9Å; Y158-L501 HydrophobicContact CD2-CD1 3.51Å; Y158-L501 HydrophobicContact CD2-CG 4.36Å; Y158-L501 HydrophobicContact CE1-CB 4.02Å; Y158-L501 HydrophobicContact CE2-CB 3.9Å; Y158-L501 HydrophobicContact CE2-CD1 4.14Å; Y158-L501 HydrophobicContact CG-CB 3.98Å; Y158-L501 HydrophobicContact CG-CD1 3.85Å; Y158-T505 HydrophobicContact CD1-CG2 4.48Å; Y158-T505 HydrophobicContact CE1-CG2 4.13Å; Y158-T505 WeakPolarHBondContact CE1-OG1 3.43Å
159H98.8Very high98.6Very high142 Ų14270.9 Ų70.966%0.65738%0.377SS*.  trans-60.4147-171.9-45.596.5000114K157 H175K157-H159 VanDerWaalsContact C-N 3.29Å; K157-H159 PolarHBondContact O-CE1 2.72Å; K157-H159 PolarHBondContact O-N 3.28Å; K157-H159 PolarHBondContact O-ND1 3.16Å; H159-H175 PolarHBondContact O-CE1 3.19Å; H159-H175 PolarHBondContact O-ND1 2.7Å; H159-H175 VanDerWaalsContact O-ND1 3.09Å
160G98.6Very high98.6Very high32 Ų3271.5 Ų71.533%0.3339%0.385SS..  trans-70.1-164.2160.500000112.6
161K98.7Very high98.6Very high134 Ų13469.5 Ų69.558%0.58338%0.378SS*.  trans-131.8146.4-177.8-58.5-172.7-174.2-61.10111.1I163 F172 T173K161-I163 HydrophobicContact CB-CG1 4.14Å; K161-F172 CarbonylContact O-C 3.55Å; K161-F172 WeakPolarHBondContact O-CA 3.26Å; K161-F172 VanDerWaalsContact O-CB 3.27Å; K161-F172 WeakPolarHBondContact O-CB 3.47Å; K161-T173 PolarHBondContact N-OG1 3.28Å; K161-T173 PolarHBondContact O-N 3.48Å
162T98.6Very high98.6Very high119 Ų11972.3 Ų72.373%0.7339%0.39SS*.EExtended strand (participates in β ladder)trans-92.7132.1157.651.50000108.3F172T162-F172 HydrophobicContact CG2-CB 4.4Å
163I98.6Very high98.6Very high62 Ų6272.8 Ų72.832%0.31839%0.393SS..EExtended strand (participates in β ladder)trans-121.5119.4-168.5-53.5177.9000109.7K161 V165 C171 T173K161-I163 HydrophobicContact CB-CG1 4.14Å; I163-V165 HydrophobicContact CB-CG1 4.32Å; I163-V165 HydrophobicContact CG2-CG1 3.76Å; I163-V165 PolarHBondContact O-N 2.91Å; I163-C171 HydrophobicContact CB-CB 4.26Å; I163-C171 PolarHBondContact N-O 2.8Å; I163-T173 HydrophobicContact CD1-CG2 3.83Å
164P97.9Very high98.6Very high118 Ų11874.6 Ų74.677%0.76639%0.394SS*.  trans-7966.4-178.133.5-36.5000111.7
165V98.1Very high98.6Very high42 Ų4274.5 Ų74.526%0.25540%0.396SS..  trans-65.7160.8-179.5-63.20000112.8I163 C171 K517I163-V165 HydrophobicContact CB-CG1 4.32Å; I163-V165 HydrophobicContact CG2-CG1 3.76Å; I163-V165 PolarHBondContact O-N 2.91Å; V165-C171 HydrophobicContact CB-CB 4.3Å; V165-C171 HydrophobicContact CG1-CB 3.66Å; V165-C171 HydrophobicContact CG2-CB 3.63Å; V165-K517 PolarHBondContact O-NZ 3.17Å
166N98.3Very high98.6Very high149 Ų14976.2 Ų76.280%0.79740%0.402SS*.SBendtrans-67.4150.1175.8-68.3-21.9000111.9Y169N166-Y169 WeakPolarHBondContact O-CD2 3.39Å
167G97.8Very high98.6Very high42 Ų4273.8 Ų73.843%0.43339%0.391SS..SBendtrans82.1-174.2179.100000114.9Y169 K517G167-Y169 VanDerWaalsContact C-N 3.26Å; G167-Y169 PolarHBondContact O-N 3.02Å; G167-Y169 VanDerWaalsContact O-N 3.1Å; G167-K517 WeakPolarHBondContact O-CD 3.48Å; G167-K517 WeakPolarHBondContact O-CE 3.36Å
168N98.4Very high98.6Very high76 Ų7669.7 Ų69.741%0.40637%0.374SS..SBendtrans-8665179.1-70.2-29.6000111I514 L515 K517N168-I514 VanDerWaalsContact C-CG1 3.49Å; N168-I514 WeakPolarHBondContact CB-O 3.27Å; N168-I514 WeakPolarHBondContact O-CG1 3.32Å; N168-I514 PolarHBondContact O-N 3.33Å; N168-L515 PolarHBondContact ND2-O 3.06Å; N168-K517 PolarHBondContact OD1-N 3.23Å
169Y98.6Very high98.6Very high109 Ų10967 Ų6743%0.42736%0.364SS..EExtended strand (participates in β ladder)trans-129.3144.9178.3-59.8-82.3000111.3N166 G167 T511 T512 R513N166-Y169 WeakPolarHBondContact O-CD2 3.39Å; G167-Y169 VanDerWaalsContact C-N 3.26Å; G167-Y169 PolarHBondContact O-N 3.02Å; G167-Y169 VanDerWaalsContact O-N 3.1Å; Y169-T511 HydrophobicContact CD1-CG2 3.91Å; Y169-T511 HydrophobicContact CG-CG2 4.08Å; Y169-T512 VanDerWaalsContact CA-O 3.32Å; Y169-T512 WeakPolarHBondContact CA-O 3.33Å; Y169-R513 HydrophobicContact CD1-CB 4.14Å; Y169-R513 HydrophobicContact CE1-CB 4.01Å; Y169-R513 HydrophobicContact CE1-CG 4.39Å
170M98.5Very high98.6Very high99 Ų9960.3 Ų60.349%0.48833%0.332SS..EExtended strand (participates in β ladder)trans-98.8126.5162.2-178.3178.9-178.800107.8F172 T511 T512 I514M170-F172 HydrophobicContact CE-CD1 4.38Å; M170-T511 WeakPolarHBondContact O-CA 3.37Å; M170-T512 HydrophobicContact CB-CG2 3.95Å; M170-T512 PolarHBondContact N-O 3.48Å; M170-T512 PolarHBondContact O-N 2.93Å; M170-I514 HydrophobicContact CB-CD1 4.42Å; M170-I514 HydrophobicContact CB-CG2 3.88Å
171C98.6Very high98.6Very high8 Ų858.8 Ų58.85%0.05432%0.317CS..EExtended strand (participates in β ladder)trans-127.5133.6-179.6-179.20000110.3I163 V165 T509 V510 T511I163-C171 HydrophobicContact CB-CB 4.26Å; I163-C171 PolarHBondContact N-O 2.8Å; V165-C171 HydrophobicContact CB-CB 4.3Å; V165-C171 HydrophobicContact CG1-CB 3.66Å; V165-C171 HydrophobicContact CG2-CB 3.63Å; C171-T509 VanDerWaalsContact SG-CG2 3.6Å; C171-V510 WeakPolarHBondContact CA-O 3.35Å; C171-T511 PolarHBondContact SG-OG1 3.28Å
172F98.8Very high98.6Very high59 Ų5952.4 Ų52.426%0.25929%0.289SS..EExtended strand (participates in β ladder)trans-147.9162.8173.160.9-87.6000111.2K161 T162 M170 L174 V510K161-F172 CarbonylContact O-C 3.55Å; K161-F172 WeakPolarHBondContact O-CA 3.26Å; K161-F172 VanDerWaalsContact O-CB 3.27Å; K161-F172 WeakPolarHBondContact O-CB 3.47Å; T162-F172 HydrophobicContact CG2-CB 4.4Å; M170-F172 HydrophobicContact CE-CD1 4.38Å; F172-L174 HydrophobicContact CD2-CD2 4.24Å; F172-L174 HydrophobicContact CE2-CD2 3.94Å; F172-L174 HydrophobicContact CE2-CG 4.19Å; F172-V510 HydrophobicContact CD1-CB 4.43Å; F172-V510 HydrophobicContact CD2-CB 4.24Å; F172-V510 HydrophobicContact CE1-CB 4Å; F172-V510 HydrophobicContact CE1-CG1 3.87Å; F172-V510 HydrophobicContact CE2-CB 3.78Å; F172-V510 HydrophobicContact CE2-CG1 4.24Å; F172-V510 HydrophobicContact CE2-CG2 3.93Å; F172-V510 HydrophobicContact CZ-CB 3.65Å; F172-V510 HydrophobicContact CZ-CG1 3.61Å; F172-V510 HydrophobicContact CZ-CG2 4.15Å; F172-V510 PolarHBondContact N-O 3.32Å; F172-V510 PolarHBondContact O-N 2.93Å
173T98.9Very high98.6Very high15 Ų1546.7 Ų46.79%0.09225%0.254CS..EExtended strand (participates in β ladder)trans-108.6141174.260.80000111.7K161 I163 V507 K508K161-T173 PolarHBondContact N-OG1 3.28Å; K161-T173 PolarHBondContact O-N 3.48Å; I163-T173 HydrophobicContact CD1-CG2 3.83Å; T173-V507 HydrophobicContact CG2-CG1 3.85Å; T173-K508 CarbonylContact C-O 3.57Å; T173-K508 VanDerWaalsContact CA-O 3.27Å; T173-K508 WeakPolarHBondContact CA-O 3.41Å
174L98.7Very high98.6Very high71 Ų7144.3 Ų44.337%0.37224%0.242SC..EExtended strand (participates in β ladder)trans-98.8133.1163-58.5175.8000108.1F172 E176 K508 V510F172-L174 HydrophobicContact CD2-CD2 4.24Å; F172-L174 HydrophobicContact CE2-CD2 3.94Å; F172-L174 HydrophobicContact CE2-CG 4.19Å; L174-E176 HydrophobicContact CB-CG 4.19Å; L174-K508 HydrophobicContact CB-CB 4.34Å; L174-K508 HydrophobicContact CD1-CD 4.46Å; L174-K508 PolarHBondContact N-O 3.4Å; L174-K508 PolarHBondContact O-N 3.16Å; L174-V510 HydrophobicContact CD1-CG2 4.15Å; L174-V510 HydrophobicContact CG-CG2 4.34Å
175H98.8Very high98.7Very high51 Ų5139 Ų3924%0.23621%0.207CC..EExtended strand (participates in β ladder)trans-96.592.5169.5-76.3-174.5000107.6Y158 H159 T505Y158-H175 HydrophobicContact CD1-CB 4.47Å; Y158-H175 AromaticContact CD1-ND1 3.45Å; Y158-H175 WeakPolarHBondContact CD1-ND1 3.33Å; Y158-H175 AromaticContact CE1-CE1 3.93Å; Y158-H175 AromaticContact CE1-ND1 3.48Å; Y158-H175 WeakPolarHBondContact CE1-ND1 3.48Å; Y158-H175 PolarHBondContact O-ND1 2.92Å; Y158-H175 VanDerWaalsContact O-ND1 3.16Å; H159-H175 PolarHBondContact O-CE1 3.19Å; H159-H175 PolarHBondContact O-ND1 2.7Å; H159-H175 VanDerWaalsContact O-ND1 3.09Å; H175-T505 HydrophobicContact CB-CG2 3.47Å; H175-T505 VanDerWaalsContact CB-CG2 3.47Å
176E98.8Very high98.7Very high43 Ų4337.9 Ų37.920%0.20120%0.2CC..EExtended strand (participates in β ladder)trans-89.4153.3178.7-63.7-176.1178.700109.9L174 T505 E506 K508L174-E176 HydrophobicContact CB-CG 4.19Å; E176-T505 CarbonylContact O-C 3.33Å; E176-T505 WeakPolarHBondContact O-CA 3.36Å; E176-E506 PolarHBondContact N-O 3.36Å; E176-E506 PolarHBondContact O-N 3.3Å; E176-K508 WeakPolarHBondContact OE1-CE 3.47Å; E176-K508 IonicContact OE1-NZ 2.82Å; E176-K508 PolarHBondContact OE1-NZ 2.93Å; E176-K508 WeakPolarHBondContact OE2-CE 3.48Å; E176-K508 IonicContact OE2-NZ 2.67Å; E176-K508 PolarHBondContact OE2-NZ 2.64Å
177P98.9Very high98.7Very high22 Ų2232.1 Ų32.114%0.14317%0.168CC..EExtended strand (participates in β ladder)trans-58.6144.8165.818.2-27.2000111.1F89 G179 T204 G205 N206F89-P177 HydrophobicContact CE2-CB 3.67Å; F89-P177 HydrophobicContact CE2-CG 3.45Å; F89-P177 VanDerWaalsContact CE2-CG 3.45Å; F89-P177 HydrophobicContact CZ-CB 3.95Å; F89-P177 HydrophobicContact CZ-CG 3.65Å; P177-G179 VanDerWaalsContact C-N 3.3Å; P177-G179 PolarHBondContact O-N 2.82Å; P177-T204 WeakPolarHBondContact CB-O 3.03Å; P177-G205 WeakPolarHBondContact CB-O 3.33Å; P177-G205 WeakPolarHBondContact CG-O 3.4Å; P177-N206 HydrophobicContact CB-CB 4.45Å
178V98.7Very high98.8Very high15 Ų1530.4 Ų30.49%0.09115%0.149CC..  trans-62.7-37175.2173.60000112N206 D258 K259 Y504 T505 E506V178-N206 WeakPolarHBondContact CA-OD1 3.05Å; V178-N206 PolarHBondContact N-OD1 3.14Å; V178-D258 HydrophobicContact CG1-CB 3.92Å; V178-D258 WeakPolarHBondContact O-CB 3.46Å; V178-K259 HydrophobicContact CG1-CB 3.69Å; V178-K259 HydrophobicContact CG1-CD 4.49Å; V178-Y504 VanDerWaalsContact CG2-C 3.44Å; V178-Y504 PolarHBondContact N-O 3.49Å; V178-T505 VanDerWaalsContact CG2-C 3.48Å; V178-E506 HydrophobicContact CG2-CB 4.43Å
179G98.8Very high98.8Very high0 Ų027.7 Ų27.70%013%0.133CC..  trans130.3-126.5174.600000113.9F89 P177 C181 N206 T207 D258F89-G179 VanDerWaalsContact CZ-CA 3.4Å; P177-G179 VanDerWaalsContact C-N 3.3Å; P177-G179 PolarHBondContact O-N 2.82Å; G179-C181 PolarHBondContact O-N 2.92Å; G179-N206 PolarHBondContact N-OD1 3.37Å; G179-N206 WeakPolarHBondContact O-CB 3.27Å; G179-N206 PolarHBondContact O-OD1 2.71Å; G179-T207 PolarHBondContact O-N 2.81Å; G179-T207 VanDerWaalsContact O-N 3.08Å; G179-D258 WeakPolarHBondContact CA-OD2 3.47Å
180V98.9Very high98.8Very high0 Ų022.6 Ų22.60%011%0.113CC..EExtended strand (participates in β ladder)trans-78.8108.5176-179.10000108.7V82 A85 R86 V209 V257 D258 K259V82-V180 HydrophobicContact CG1-CG1 4.35Å; A85-V180 HydrophobicContact CB-CG1 3.87Å; A85-V180 HydrophobicContact CB-CG2 4.03Å; R86-V180 HydrophobicContact CB-CG2 4.21Å; V180-V209 HydrophobicContact CG1-CG2 4.35Å; V180-V257 HydrophobicContact CG1-CG2 4.24Å; V180-D258 PolarHBondContact N-OD2 3.13Å; V180-D258 PolarHBondContact O-N 3.33Å; V180-K259 PolarHBondContact O-N 3.01Å
181C99Very high98.8Very high0 Ų017.9 Ų17.90%09%0.09CC..EExtended strand (participates in β ladder)trans-97.4112.4178.6-66.70000110.3G179 Q183 T207 V208 V209 K259 Y504G179-C181 PolarHBondContact O-N 2.92Å; C181-Q183 HydrophobicContact CB-CG 4.37Å; C181-T207 PolarHBondContact N-O 3.12Å; C181-V208 HydrophobicContact CB-CG2 4.47Å; C181-V208 WeakPolarHBondContact O-CA 3.34Å; C181-V209 PolarHBondContact O-N 3.43Å; C181-K259 CarbonylContact C-O 3.59Å; C181-K259 WeakPolarHBondContact CA-O 3.35Å; C181-Y504 HydrophobicContact CB-CE1 4.37Å
182G98.9Very high98.8Very high0 Ų018 Ų180%09%0.09CC..EExtended strand (participates in β ladder)trans-74.8124164.500000110.2V209 K259 I260 A261G182-V209 CarbonylContact C-O 3.56Å; G182-V209 WeakPolarHBondContact CA-O 3.39Å; G182-K259 PolarHBondContact N-O 3Å; G182-I260 CarbonylContact O-C 3.58Å; G182-I260 WeakPolarHBondContact O-CA 3.49Å; G182-A261 PolarHBondContact O-N 3.01Å
183Q98.9Very high98.8Very high0 Ų015.9 Ų15.90%08%0.081CC..EExtended strand (participates in β ladder)trans-125117.8-176.5-60.9-174-23.900110C181 K197 V208 V209 M210 K211 A261 Y504C181-Q183 HydrophobicContact CB-CG 4.37Å; Q183-K197 HydrophobicContact CB-CB 4.33Å; Q183-K197 HydrophobicContact CB-CD 4.5Å; Q183-K197 HydrophobicContact CG-CB 4.38Å; Q183-K197 PolarHBondContact NE2-O 3.38Å; Q183-K197 VanDerWaalsContact OE1-CB 3.26Å; Q183-V208 HydrophobicContact CB-CG1 4.23Å; Q183-V208 HydrophobicContact CG-CG1 3.93Å; Q183-V209 PolarHBondContact N-O 3.32Å; Q183-M210 HydrophobicContact CB-CB 4.5Å; Q183-M210 HydrophobicContact CB-CE 4.14Å; Q183-M210 CarbonylContact O-C 3.54Å; Q183-M210 WeakPolarHBondContact O-CA 3.35Å; Q183-K211 PolarHBondContact O-N 2.93Å; Q183-A261 WeakPolarHBondContact CA-O 3.28Å; Q183-A261 HydrophobicContact CG-CB 4.49Å; Q183-Y504 PolarHBondContact NE2-OH 2.74Å
184I98.9Very high98.8Very high12 Ų1215.2 Ų15.26%0.0628%0.077CC..EExtended strand (participates in β ladder)trans-117.3118.1-176.4-58.1170.9000107.9K211 L251 V252 A261 F262 T263 I272I184-K211 HydrophobicContact CG1-CB 4.19Å; I184-K211 HydrophobicContact CG2-CD 4.17Å; I184-L251 HydrophobicContact CD1-CD2 4.45Å; I184-L251 HydrophobicContact CG1-CD2 3.99Å; I184-V252 HydrophobicContact CD1-CG2 3.66Å; I184-A261 PolarHBondContact N-O 3.47Å; I184-F262 HydrophobicContact CB-CD2 3.86Å; I184-F262 HydrophobicContact CG2-CD2 3.68Å; I184-F262 HydrophobicContact CG2-CE2 4.02Å; I184-F262 WeakPolarHBondContact O-CA 3.44Å; I184-T263 PolarHBondContact O-N 3.07Å; I184-I272 HydrophobicContact CD1-CD1 4.28Å
185I98.9Very high98.8Very high6 Ų611.9 Ų11.93%0.0316%0.06CC..  trans-114.9150.2-172.962.5170.4000112.5M193 Q194 K197 M210 K211 T212 A213I185-M193 HydrophobicContact CB-CB 4Å; I185-M193 HydrophobicContact CG2-CB 4.13Å; I185-Q194 HydrophobicContact CD1-CB 4.04Å; I185-K197 HydrophobicContact CG2-CG 3.66Å; I185-M210 HydrophobicContact CD1-SD 3.9Å; I185-M210 HydrophobicContact CG1-SD 4.47Å; I185-M210 HydrophobicContact CG2-CE 4.37Å; I185-K211 PolarHBondContact N-O 3.1Å; I185-K211 VanDerWaalsContact N-O 3.15Å; I185-T212 HydrophobicContact CD1-CG2 4.26Å; I185-A213 PolarHBondContact O-N 3.18Å
186P98.7Very high98.8Very high18 Ų1810.2 Ų10.212%0.1175%0.051CC..  trans-84.8-179.4177.439.5-40.4000110.8N188 M193 T263P186-N188 VanDerWaalsContact CG-OD1 3.24Å; P186-N188 WeakPolarHBondContact CG-OD1 3.4Å; P186-M193 HydrophobicContact CG-CG 3.87Å; P186-M193 HydrophobicContact CG-SD 4.38Å; P186-T263 WeakPolarHBondContact CD-O 3.29Å; P186-T263 HydrophobicContact CG-CG2 3.8Å
187W98.8Very high98.9Very high29 Ų298.2 Ų8.211%0.114%0.042CC..SBendtrans-95.7-9.6-17548.9-106000114.9N129 P190 A213 Q215 T216 Q319 V364 Q368 F420N129-W187 PolarHBondContact ND2-O 3.18Å; W187-P190 WeakPolarHBondContact O-CD 3.47Å; W187-P190 VanDerWaalsContact O-CG 3.3Å; W187-P190 WeakPolarHBondContact O-CG 3.21Å; W187-A213 HydrophobicContact CB-CB 3.64Å; W187-A213 HydrophobicContact CG-CB 4.43Å; W187-Q215 HydrophobicContact CB-CB 3.92Å; W187-Q215 HydrophobicContact CB-CG 4.49Å; W187-Q215 VanDerWaalsContact CD1-OE1 3.3Å; W187-Q215 HydrophobicContact CG-CB 4.27Å; W187-Q215 HydrophobicContact CG-CG 4.35Å; W187-T216 VanDerWaalsContact CA-OG1 3.25Å; W187-T216 WeakPolarHBondContact CA-OG1 3.16Å; W187-T216 HydrophobicContact CB-CG2 3.85Å; W187-T216 WeakPolarHBondContact CB-OG1 3.47Å; W187-Q319 HydrophobicContact CH2-CB 3.87Å; W187-Q319 HydrophobicContact CH2-CG 3.84Å; W187-Q319 HydrophobicContact CZ3-CB 3.7Å; W187-Q319 HydrophobicContact CZ3-CG 3.87Å; W187-Q319 VanDerWaalsContact CZ3-OE1 3.26Å; W187-V364 HydrophobicContact CB-CG2 4.27Å; W187-V364 HydrophobicContact CD2-CB 4.03Å; W187-V364 HydrophobicContact CD2-CG1 3.62Å; W187-V364 HydrophobicContact CD2-CG2 3.98Å; W187-V364 HydrophobicContact CE3-CB 3.49Å; W187-V364 VanDerWaalsContact CE3-CB 3.49Å; W187-V364 HydrophobicContact CE3-CG1 3.54Å; W187-V364 HydrophobicContact CE3-CG2 3.6Å; W187-V364 HydrophobicContact CG-CG1 4.34Å; W187-V364 HydrophobicContact CG-CG2 4.25Å; W187-V364 HydrophobicContact CH2-CB 4.11Å; W187-V364 HydrophobicContact CH2-CG1 3.59Å; W187-V364 HydrophobicContact CZ2-CG1 3.7Å; W187-V364 HydrophobicContact CZ3-CB 3.57Å; W187-V364 HydrophobicContact CZ3-CG1 3.55Å; W187-V364 HydrophobicContact CZ3-CG2 4.2Å; W187-Q368 HydrophobicContact CH2-CG 4.11Å; W187-Q368 HydrophobicContact CZ2-CG 3.67Å; W187-F420 AromaticContact CH2-CD1 3.37Å; W187-F420 HydrophobicContact CH2-CD1 3.37Å; W187-F420 AromaticContact CH2-CE1 3.25Å; W187-F420 HydrophobicContact CH2-CE1 3.25Å; W187-F420 AromaticContact CZ2-CD1 3.62Å; W187-F420 HydrophobicContact CZ2-CD1 3.62Å; W187-F420 AromaticContact CZ2-CE1 3.49Å; W187-F420 HydrophobicContact CZ2-CE1 3.49Å; W187-F420 VanDerWaalsContact CZ2-CE1 3.49Å; W187-F420 HydrophobicContact CZ3-CD1 4.36Å; W187-F420 AromaticContact CZ3-CE1 3.9Å; W187-F420 HydrophobicContact CZ3-CE1 3.9Å
188N98.8Very high98.9Very high6 Ų67.1 Ų7.13%0.0324%0.035CC..SBendtrans-77.4-33.1-167.665.7-34.9000113.9N129 K131 P186 N316 Q319 F420N129-N188 PolarHBondContact ND2-O 3.47Å; K131-N188 PolarHBondContact NZ-O 2.64Å; P186-N188 VanDerWaalsContact CG-OD1 3.24Å; P186-N188 WeakPolarHBondContact CG-OD1 3.4Å; N188-N316 PolarHBondContact O-ND2 3.33Å; N188-Q319 HydrophobicContact CB-CB 4.25Å; N188-Q319 VanDerWaalsContact CB-O 3.26Å; N188-Q319 WeakPolarHBondContact CB-O 3.48Å; N188-Q319 PolarHBondContact ND2-O 2.91Å; N188-F420 HydrophobicContact CB-CE1 3.99Å; N188-F420 HydrophobicContact CB-CZ 3.99Å
189F98.8Very high98.9Very high18 Ų186.4 Ų6.48%0.0793%0.031CC..SBendtrans-133.970.9168.5-58.3-90.7000110.2K131 D140 L191 L192 M193 F315 N316 C320K131-F189 VanDerWaalsContact NZ-CD1 3.31Å; D140-F189 WeakPolarHBondContact OD2-CD1 3.27Å; F189-L191 PolarHBondContact O-N 3.39Å; F189-L192 HydrophobicContact CB-CB 3.79Å; F189-L192 HydrophobicContact CB-CD2 4.39Å; F189-L192 HydrophobicContact CD1-CD2 4.43Å; F189-L192 HydrophobicContact CG-CD2 4.49Å; F189-L192 PolarHBondContact O-N 3.05Å; F189-M193 HydrophobicContact CB-CG 4.25Å; F189-M193 WeakPolarHBondContact O-CB 3.39Å; F189-M193 VanDerWaalsContact O-CG 3.24Å; F189-M193 WeakPolarHBondContact O-CG 3.42Å; F189-M193 PolarHBondContact O-N 2.8Å; F189-F315 AromaticContact CE1-CE1 3.67Å; F189-F315 HydrophobicContact CE1-CE1 3.67Å; F189-F315 AromaticContact CE1-CZ 3.79Å; F189-F315 HydrophobicContact CE1-CZ 3.79Å; F189-F315 HydrophobicContact CZ-CD1 4.25Å; F189-F315 AromaticContact CZ-CE1 3.57Å; F189-F315 HydrophobicContact CZ-CE1 3.57Å; F189-F315 HydrophobicContact CZ-CZ 4.16Å; F189-N316 HydrophobicContact CE1-CB 4.06Å; F189-N316 HydrophobicContact CZ-CB 3.69Å; F189-N316 WeakPolarHBondContact CZ-ND2 3.35Å; F189-C320 VanDerWaalsContact CZ-SG 3.55Å
190P98.9Very high98.9Very high2 Ų26.4 Ų6.41%0.0133%0.031CC..Hα-helixtrans-50.7-54-168.9-25.730.9000113.6E125 N129 W187 Q194 T216E125-P190 WeakPolarHBondContact OE1-CB 3.19Å; E125-P190 WeakPolarHBondContact OE1-CD 3.38Å; N129-P190 HydrophobicContact CB-CG 4.46Å; W187-P190 WeakPolarHBondContact O-CD 3.47Å; W187-P190 VanDerWaalsContact O-CG 3.3Å; W187-P190 WeakPolarHBondContact O-CG 3.21Å; P190-Q194 WeakPolarHBondContact O-CB 3.16Å; P190-Q194 PolarHBondContact O-N 3.37Å; P190-T216 VanDerWaalsContact CG-CB 3.49Å; P190-T216 HydrophobicContact CG-CG2 3.89Å; P190-T216 WeakPolarHBondContact CG-OG1 3.42Å
191L98.9Very high98.9Very high1 Ų16.4 Ų6.41%0.0053%0.031CC..Hα-helixtrans-69.5-40.7-179.6-73.1170.3000112.6L121 E125 L141 V144 F189 Q194 A195 V223L121-L191 HydrophobicContact CB-CD1 4.12Å; L121-L191 HydrophobicContact CD2-CD1 4.16Å; L121-L191 HydrophobicContact CD2-CD2 4.09Å; E125-L191 HydrophobicContact CB-CD1 4.35Å; E125-L191 HydrophobicContact CG-CD1 4.42Å; E125-L191 PolarHBondContact OE1-N 2.81Å; E125-L191 WeakPolarHBondContact OE2-CG 3.3Å; L141-L191 HydrophobicContact CD1-CD1 4.13Å; L141-L191 HydrophobicContact CD2-CD1 3.56Å; V144-L191 HydrophobicContact CG2-CB 3.81Å; F189-L191 PolarHBondContact O-N 3.39Å; L191-Q194 WeakPolarHBondContact O-CB 3.27Å; L191-Q194 PolarHBondContact O-N 3.13Å; L191-A195 WeakPolarHBondContact O-CB 3.37Å; L191-A195 PolarHBondContact O-N 2.92Å; L191-V223 HydrophobicContact CD2-CG2 3.42Å; L191-V223 VanDerWaalsContact CD2-CG2 3.42Å
192L98.9Very high98.9Very high11 Ų116.4 Ų6.46%0.0583%0.031CC..Hα-helixtrans-66.4-41.9-179.1-172.857.9000111.4L143 V144 F189 A195 W196L143-L192 HydrophobicContact CB-CD1 3.54Å; L143-L192 HydrophobicContact CB-CD2 4.32Å; L143-L192 HydrophobicContact CD1-CD2 3.99Å; V144-L192 HydrophobicContact CG2-CB 4.19Å; V144-L192 HydrophobicContact CG2-CD1 4.17Å; F189-L192 HydrophobicContact CB-CB 3.79Å; F189-L192 HydrophobicContact CB-CD2 4.39Å; F189-L192 HydrophobicContact CD1-CD2 4.43Å; F189-L192 HydrophobicContact CG-CD2 4.49Å; F189-L192 PolarHBondContact O-N 3.05Å; L192-A195 PolarHBondContact O-N 2.86Å; L192-W196 VanDerWaalsContact CD1-NE1 3.31Å; L192-W196 PolarHBondContact O-N 2.81Å
193M98.8Very high98.9Very high14 Ų146.5 Ų6.57%0.0693%0.031CC..Hα-helixtrans-67.3-37.4176.7-67.2-62.799.600111.5I185 P186 F189 W196 K197 T263I185-M193 HydrophobicContact CB-CB 4Å; I185-M193 HydrophobicContact CG2-CB 4.13Å; P186-M193 HydrophobicContact CG-CG 3.87Å; P186-M193 HydrophobicContact CG-SD 4.38Å; F189-M193 HydrophobicContact CB-CG 4.25Å; F189-M193 WeakPolarHBondContact O-CB 3.39Å; F189-M193 VanDerWaalsContact O-CG 3.24Å; F189-M193 WeakPolarHBondContact O-CG 3.42Å; F189-M193 PolarHBondContact O-N 2.8Å; M193-W196 HydrophobicContact CE-CD2 3.77Å; M193-W196 HydrophobicContact CE-CE3 3.82Å; M193-W196 HydrophobicContact CE-CG 4.18Å; M193-W196 HydrophobicContact CE-CH2 4.47Å; M193-W196 HydrophobicContact CE-CZ2 4.41Å; M193-W196 HydrophobicContact CE-CZ3 4.18Å; M193-K197 WeakPolarHBondContact O-CG 3.41Å; M193-K197 PolarHBondContact O-N 2.98Å; M193-T263 HydrophobicContact SD-CG2 3.96Å
194Q98.9Very high98.9Very high1 Ų17.3 Ų7.31%0.0054%0.036CC..Hα-helixtrans-58.8-47.3169.5179.4-177.951.900111I185 P190 L191 W196 K197 L198 M210 A220 V223I185-Q194 HydrophobicContact CD1-CB 4.04Å; P190-Q194 WeakPolarHBondContact O-CB 3.16Å; P190-Q194 PolarHBondContact O-N 3.37Å; L191-Q194 WeakPolarHBondContact O-CB 3.27Å; L191-Q194 PolarHBondContact O-N 3.13Å; Q194-W196 PolarHBondContact O-N 3.05Å; Q194-K197 PolarHBondContact O-N 2.95Å; Q194-L198 HydrophobicContact CG-CD1 3.67Å; Q194-L198 HydrophobicContact CG-CG 4.13Å; Q194-L198 WeakPolarHBondContact O-CB 3.11Å; Q194-L198 WeakPolarHBondContact O-CG 3.27Å; Q194-L198 PolarHBondContact O-N 3.09Å; Q194-M210 HydrophobicContact CB-CE 4.45Å; Q194-M210 HydrophobicContact CB-SD 4.2Å; Q194-M210 HydrophobicContact CG-CE 4.05Å; Q194-M210 HydrophobicContact CG-SD 3.77Å; Q194-A220 PolarHBondContact NE2-O 2.78Å; Q194-A220 VanDerWaalsContact NE2-O 3.09Å; Q194-V223 VanDerWaalsContact OE1-CG1 3.32Å
195A98.9Very high98.9Very high0 Ų06.9 Ų6.90%04%0.035CC..Hα-helixtrans-64.3-40.9-179.400000113.3V144 C147 Y148 L191 L192 K197 G199V144-A195 HydrophobicContact CB-CB 4.37Å; V144-A195 HydrophobicContact CG1-CB 4.07Å; V144-A195 HydrophobicContact CG2-CB 4.28Å; C147-A195 HydrophobicContact CB-CB 4.24Å; Y148-A195 HydrophobicContact CD2-CB 4.02Å; Y148-A195 HydrophobicContact CE1-CB 4.45Å; Y148-A195 HydrophobicContact CE2-CB 3.56Å; L191-A195 WeakPolarHBondContact O-CB 3.37Å; L191-A195 PolarHBondContact O-N 2.92Å; L192-A195 PolarHBondContact O-N 2.86Å; A195-K197 PolarHBondContact O-N 2.89Å; A195-G199 PolarHBondContact O-N 3.45Å
196W98.8Very high98.9Very high17 Ų176.6 Ų6.66%0.0643%0.033CC..Hα-helixtrans-62.4-29.4177-78.930.4000112.7L192 M193 Q194 P200 F478 F484 E495 L496L192-W196 VanDerWaalsContact CD1-NE1 3.31Å; L192-W196 PolarHBondContact O-N 2.81Å; M193-W196 HydrophobicContact CE-CD2 3.77Å; M193-W196 HydrophobicContact CE-CE3 3.82Å; M193-W196 HydrophobicContact CE-CG 4.18Å; M193-W196 HydrophobicContact CE-CH2 4.47Å; M193-W196 HydrophobicContact CE-CZ2 4.41Å; M193-W196 HydrophobicContact CE-CZ3 4.18Å; Q194-W196 PolarHBondContact O-N 3.05Å; W196-P200 WeakPolarHBondContact O-CD 3.38Å; W196-P200 WeakPolarHBondContact O-CG 3.35Å; W196-F478 AromaticContact CH2-CD1 3.87Å; W196-F478 HydrophobicContact CH2-CD1 3.87Å; W196-F478 AromaticContact CH2-CE1 3.83Å; W196-F478 HydrophobicContact CH2-CE1 3.83Å; W196-F478 AromaticContact CZ2-CD1 3.96Å; W196-F478 HydrophobicContact CZ2-CD1 3.96Å; W196-F478 HydrophobicContact CZ2-CE1 4.33Å; W196-F484 HydrophobicContact CH2-CB 4.16Å; W196-F484 AromaticContact CH2-CD1 3.91Å; W196-F484 HydrophobicContact CH2-CD1 3.91Å; W196-F484 HydrophobicContact CH2-CE1 4.5Å; W196-F484 HydrophobicContact CH2-CG 4.1Å; W196-F484 HydrophobicContact CZ3-CB 4.21Å; W196-F484 AromaticContact CZ3-CD1 3.64Å; W196-F484 HydrophobicContact CZ3-CD1 3.64Å; W196-F484 HydrophobicContact CZ3-CE1 4.32Å; W196-F484 HydrophobicContact CZ3-CG 4.18Å; W196-E495 HydrophobicContact CE3-CB 4.13Å; W196-L496 HydrophobicContact CD2-CD1 4.3Å; W196-L496 HydrophobicContact CD2-CD2 3.85Å; W196-L496 HydrophobicContact CD2-CG 3.99Å; W196-L496 HydrophobicContact CE3-CG 4.21Å; W196-L496 HydrophobicContact CG-CD2 3.92Å; W196-L496 HydrophobicContact CH2-CD1 3.79Å; W196-L496 HydrophobicContact CH2-CG 4.28Å; W196-L496 HydrophobicContact CZ2-CD1 3.45Å; W196-L496 VanDerWaalsContact CZ2-CD1 3.45Å; W196-L496 HydrophobicContact CZ2-CD2 4.41Å; W196-L496 HydrophobicContact CZ2-CG 4.06Å; W196-L496 HydrophobicContact CZ3-CD1 4.34Å; W196-L496 HydrophobicContact CZ3-CG 4.35Å
197K98.9Very high98.9Very high0 Ų05.7 Ų5.70%03%0.028CC..Hα-helixtrans-88.5-47.4179.6-64.3-72.2-179.1-65.70112.4Q183 I185 M193 Q194 A195 A201 M210 A261 T263 E495Q183-K197 HydrophobicContact CB-CB 4.33Å; Q183-K197 HydrophobicContact CB-CD 4.5Å; Q183-K197 HydrophobicContact CG-CB 4.38Å; Q183-K197 PolarHBondContact NE2-O 3.38Å; Q183-K197 VanDerWaalsContact OE1-CB 3.26Å; I185-K197 HydrophobicContact CG2-CG 3.66Å; M193-K197 WeakPolarHBondContact O-CG 3.41Å; M193-K197 PolarHBondContact O-N 2.98Å; Q194-K197 PolarHBondContact O-N 2.95Å; A195-K197 PolarHBondContact O-N 2.89Å; K197-A201 VanDerWaalsContact O-CB 3.27Å; K197-A201 WeakPolarHBondContact O-CB 3.41Å; K197-M210 HydrophobicContact CB-CE 3.82Å; K197-A261 HydrophobicContact CD-CB 3.9Å; K197-T263 WeakPolarHBondContact CE-OG1 3.42Å; K197-T263 PolarHBondContact NZ-OG1 2.98Å; K197-E495 WeakPolarHBondContact CD-OE1 3.05Å; K197-E495 WeakPolarHBondContact CE-OE1 3.33Å; K197-E495 IonicContact NZ-OE1 2.65Å; K197-E495 PolarHBondContact NZ-OE1 3.01Å; K197-E495 IonicContact NZ-OE2 4Å; K197-E495 PolarHBondContact NZ-OE2 3.5Å
198L99Very high98.9Very high0 Ų04.3 Ų4.30%02%0.022CC..Hα-helixtrans-71.4-42.8-177.5-69.5-173.2000111.9Y148 Q194 A201 L202 V208 M210 I227 V237Y148-L198 HydrophobicContact CE1-CB 3.89Å; Q194-L198 HydrophobicContact CG-CD1 3.67Å; Q194-L198 HydrophobicContact CG-CG 4.13Å; Q194-L198 WeakPolarHBondContact O-CB 3.11Å; Q194-L198 WeakPolarHBondContact O-CG 3.27Å; Q194-L198 PolarHBondContact O-N 3.09Å; L198-A201 PolarHBondContact O-N 3.03Å; L198-L202 HydrophobicContact CB-CD1 4.01Å; L198-L202 VanDerWaalsContact O-CB 3.27Å; L198-L202 WeakPolarHBondContact O-CB 3.26Å; L198-L202 WeakPolarHBondContact O-CG 3.39Å; L198-L202 PolarHBondContact O-N 3.28Å; L198-V208 HydrophobicContact CD2-CB 4.06Å; L198-V208 HydrophobicContact CD2-CG1 3.78Å; L198-V208 HydrophobicContact CD2-CG2 3.98Å; L198-M210 HydrophobicContact CD1-CE 4.47Å; L198-M210 HydrophobicContact CD2-CE 3.86Å; L198-M210 HydrophobicContact CG-CE 3.78Å; L198-I227 HydrophobicContact CD1-CD1 3.76Å; L198-V237 HydrophobicContact CD1-CG1 4.35Å; L198-V237 HydrophobicContact CD2-CG1 4.09Å; L198-V237 HydrophobicContact CD2-CG2 4.23Å
199G98.9Very high98.9Very high0 Ų04 Ų40%02%0.021CC..Hα-helixtrans-47.9-64.2-17900000113.9Y151 A195 A201 A203Y151-G199 WeakPolarHBondContact CB-O 3.1Å; A195-G199 PolarHBondContact O-N 3.45Å; G199-A201 PolarHBondContact O-N 3.2Å; G199-A203 VanDerWaalsContact O-CB 3.26Å; G199-A203 WeakPolarHBondContact O-CB 3.06Å; G199-A203 PolarHBondContact O-N 3.49Å
200P98.9Very high98.9Very high0 Ų03.2 Ų3.20%02%0.017CC..Hα-helixtrans-67.6-37.2-178.124.7-31000112.9Y151 W196 T204 S500 L501 Y504Y151-P200 HydrophobicContact CD1-CB 3.97Å; Y151-P200 HydrophobicContact CE1-CB 3.56Å; Y151-P200 HydrophobicContact CE1-CG 4.29Å; Y151-P200 HydrophobicContact CE2-CB 4.26Å; Y151-P200 HydrophobicContact CE2-CG 4.12Å; Y151-P200 HydrophobicContact CG-CB 4.46Å; W196-P200 WeakPolarHBondContact O-CD 3.38Å; W196-P200 WeakPolarHBondContact O-CG 3.35Å; P200-T204 WeakPolarHBondContact O-CG2 3.4Å; P200-T204 PolarHBondContact O-N 2.9Å; P200-T204 VanDerWaalsContact O-N 3.16Å; P200-T204 PolarHBondContact O-OG1 2.88Å; P200-S500 WeakPolarHBondContact CB-OG 3.45Å; P200-S500 WeakPolarHBondContact CG-OG 3.4Å; P200-L501 HydrophobicContact CB-CD2 4.26Å; P200-Y504 HydrophobicContact CB-CD2 3.74Å; P200-Y504 HydrophobicContact CB-CE2 3.86Å; P200-Y504 HydrophobicContact CG-CD2 4.02Å; P200-Y504 HydrophobicContact CG-CE2 3.58Å
201A99Very high98.9Very high0 Ų03.4 Ų3.40%02%0.018CC..Hα-helixtrans-64.3-47.1-178.600000111.8K197 L198 G199 T204 G205 N206 V208 Y504K197-A201 VanDerWaalsContact O-CB 3.27Å; K197-A201 WeakPolarHBondContact O-CB 3.41Å; L198-A201 PolarHBondContact O-N 3.03Å; G199-A201 PolarHBondContact O-N 3.2Å; A201-T204 PolarHBondContact O-N 3.2Å; A201-T204 PolarHBondContact O-OG1 2.9Å; A201-G205 PolarHBondContact O-N 2.87Å; A201-N206 HydrophobicContact CB-CB 4.35Å; A201-N206 WeakPolarHBondContact O-CB 3.29Å; A201-N206 PolarHBondContact O-N 3.18Å; A201-N206 PolarHBondContact O-ND2 3.21Å; A201-V208 HydrophobicContact CB-CG2 3.92Å; A201-Y504 HydrophobicContact CB-CD1 3.69Å; A201-Y504 HydrophobicContact CB-CE1 3.6Å; A201-Y504 HydrophobicContact CB-CG 4.32Å
202L99Very high98.9Very high0 Ų03.4 Ų3.40%02%0.018CC..Hα-helixtrans-72.6-38.6-179.4-63.7176.9000111.5W95 R103 L107 L198 T204 G205 F232 V236 V237W95-L202 HydrophobicContact CZ2-CB 4.45Å; W95-L202 HydrophobicContact CZ2-CD2 4.08Å; R103-L202 WeakPolarHBondContact CD-O 3.19Å; L107-L202 HydrophobicContact CD1-CB 4.4Å; L107-L202 HydrophobicContact CD2-CB 4.04Å; L107-L202 HydrophobicContact CD2-CD1 4.1Å; L107-L202 HydrophobicContact CG-CB 4.48Å; L198-L202 HydrophobicContact CB-CD1 4.01Å; L198-L202 VanDerWaalsContact O-CB 3.27Å; L198-L202 WeakPolarHBondContact O-CB 3.26Å; L198-L202 WeakPolarHBondContact O-CG 3.39Å; L198-L202 PolarHBondContact O-N 3.28Å; L202-T204 PolarHBondContact O-N 3.22Å; L202-G205 PolarHBondContact O-N 2.83Å; L202-F232 HydrophobicContact CB-CE1 4.41Å; L202-F232 HydrophobicContact CD1-CE1 3.82Å; L202-F232 HydrophobicContact CD1-CZ 4.12Å; L202-F232 HydrophobicContact CD2-CE1 4.42Å; L202-F232 HydrophobicContact CG-CE1 4.44Å; L202-V236 HydrophobicContact CD2-CG1 3.6Å; L202-V237 HydrophobicContact CD1-CG2 4.03Å; L202-V237 HydrophobicContact CD2-CG2 3.8Å; L202-V237 HydrophobicContact CG-CG2 4.46Å
203A98.9Very high98.9Very high2 Ų23 Ų32%0.0172%0.017CC..Hα-helixtrans-57.8-39.9175.700000111.8R103 L107 Y151 A155 G199 G205R103-A203 PolarHBondContact NE-O 2.95Å; R103-A203 PolarHBondContact NH2-O 3.24Å; L107-A203 HydrophobicContact CD1-CB 3.91Å; Y151-A203 VanDerWaalsContact O-CB 3.27Å; Y151-A203 WeakPolarHBondContact O-CB 3.27Å; A155-A203 WeakPolarHBondContact CA-O 3.48Å; A155-A203 HydrophobicContact CB-CB 4.26Å; G199-A203 VanDerWaalsContact O-CB 3.26Å; G199-A203 WeakPolarHBondContact O-CB 3.06Å; G199-A203 PolarHBondContact O-N 3.49Å; A203-G205 VanDerWaalsContact C-N 3.31Å; A203-G205 PolarHBondContact O-N 3.2Å
204T98.9Very high98.9Very high16 Ų164.6 Ų4.610%0.0982%0.024CC..THydrogen-bonded Turntrans-82.7-0.6178.449.90000114.2P177 P200 A201 L202 N206 L501 Y504P177-T204 WeakPolarHBondContact CB-O 3.03Å; P200-T204 WeakPolarHBondContact O-CG2 3.4Å; P200-T204 PolarHBondContact O-N 2.9Å; P200-T204 VanDerWaalsContact O-N 3.16Å; P200-T204 PolarHBondContact O-OG1 2.88Å; A201-T204 PolarHBondContact O-N 3.2Å; A201-T204 PolarHBondContact O-OG1 2.9Å; L202-T204 PolarHBondContact O-N 3.22Å; T204-N206 PolarHBondContact OG1-ND2 3.01Å; T204-L501 HydrophobicContact CG2-CB 4.23Å; T204-L501 HydrophobicContact CG2-CD2 3.91Å; T204-Y504 VanDerWaalsContact OG1-CB 3.3Å; T204-Y504 WeakPolarHBondContact OG1-CB 3.18Å
205G98.9Very high98.9Very high3 Ų36.3 Ų6.33%0.0313%0.032CC..THydrogen-bonded Turntrans83.520.1174.500000114.9W95 P177 A201 L202 A203W95-G205 PolarHBondContact NE1-O 3.38Å; P177-G205 WeakPolarHBondContact CB-O 3.33Å; P177-G205 WeakPolarHBondContact CG-O 3.4Å; A201-G205 PolarHBondContact O-N 2.87Å; L202-G205 PolarHBondContact O-N 2.83Å; A203-G205 VanDerWaalsContact C-N 3.31Å; A203-G205 PolarHBondContact O-N 3.2Å
206N99Very high98.9Very high0 Ų06.5 Ų6.50%03%0.033CC..  trans-76.8164.3173.6-65.8-91.1000111.1W95 P177 V178 G179 A201 T204 Y504W95-N206 PolarHBondContact NE1-O 3.19Å; P177-N206 HydrophobicContact CB-CB 4.45Å; V178-N206 WeakPolarHBondContact CA-OD1 3.05Å; V178-N206 PolarHBondContact N-OD1 3.14Å; G179-N206 PolarHBondContact N-OD1 3.37Å; G179-N206 WeakPolarHBondContact O-CB 3.27Å; G179-N206 PolarHBondContact O-OD1 2.71Å; A201-N206 HydrophobicContact CB-CB 4.35Å; A201-N206 WeakPolarHBondContact O-CB 3.29Å; A201-N206 PolarHBondContact O-N 3.18Å; A201-N206 PolarHBondContact O-ND2 3.21Å; T204-N206 PolarHBondContact OG1-ND2 3.01Å; N206-Y504 PolarHBondContact ND2-O 2.74Å
207T99Very high98.8Very high0 Ų05.7 Ų5.70%03%0.03CC..EExtended strand (participates in β ladder)trans-108.5149.2165.955.40000109.3A85 A88 F89 G179 C181 V236A85-T207 PolarHBondContact O-OG1 2.95Å; A88-T207 HydrophobicContact CB-CG2 3.97Å; F89-T207 HydrophobicContact CB-CG2 3.87Å; F89-T207 HydrophobicContact CD2-CG2 4.12Å; F89-T207 HydrophobicContact CG-CG2 4.47Å; G179-T207 PolarHBondContact O-N 2.81Å; G179-T207 VanDerWaalsContact O-N 3.08Å; C181-T207 PolarHBondContact N-O 3.12Å; T207-V236 CarbonylContact C-O 3.54Å; T207-V236 WeakPolarHBondContact CA-O 3.5Å
208V99Very high98.8Very high0 Ų05.7 Ų5.70%03%0.03CC..EExtended strand (participates in β ladder)trans-123138.4-170.3174.90000111.7C181 Q183 L198 A201 M210 V236 N238C181-V208 HydrophobicContact CB-CG2 4.47Å; C181-V208 WeakPolarHBondContact O-CA 3.34Å; Q183-V208 HydrophobicContact CB-CG1 4.23Å; Q183-V208 HydrophobicContact CG-CG1 3.93Å; L198-V208 HydrophobicContact CD2-CB 4.06Å; L198-V208 HydrophobicContact CD2-CG1 3.78Å; L198-V208 HydrophobicContact CD2-CG2 3.98Å; A201-V208 HydrophobicContact CB-CG2 3.92Å; V208-M210 HydrophobicContact CG1-CB 4.01Å; V208-V236 PolarHBondContact N-O 3.46Å; V208-N238 PolarHBondContact O-N 3.01Å; V208-N238 PolarHBondContact O-ND2 3.48Å
209V99Very high98.8Very high0 Ų05.7 Ų5.70%03%0.03CC..EExtended strand (participates in β ladder)trans-115.9111.7156.7-1790000107.3I78 A81 V82 A85 V180 C181 G182 Q183 N238 V240 L251I78-V209 HydrophobicContact CD1-CG1 4.29Å; A81-V209 HydrophobicContact CB-CG1 3.7Å; A81-V209 HydrophobicContact CB-CG2 4.01Å; V82-V209 HydrophobicContact CG2-CG2 3.96Å; A85-V209 HydrophobicContact CB-CG2 3.89Å; V180-V209 HydrophobicContact CG1-CG2 4.35Å; C181-V209 PolarHBondContact O-N 3.43Å; G182-V209 CarbonylContact C-O 3.56Å; G182-V209 WeakPolarHBondContact CA-O 3.39Å; Q183-V209 PolarHBondContact N-O 3.32Å; V209-N238 CarbonylContact C-O 3.53Å; V209-N238 WeakPolarHBondContact CA-O 3.48Å; V209-N238 HydrophobicContact CG2-CB 4.46Å; V209-V240 HydrophobicContact CG1-CG2 4.32Å; V209-L251 HydrophobicContact CB-CD1 3.89Å; V209-L251 HydrophobicContact CG1-CD1 3.75Å; V209-L251 HydrophobicContact CG1-CD2 4.42Å
210M99Very high98.8Very high0 Ų05.8 Ų5.80%03%0.03CC..EExtended strand (participates in β ladder)trans-103.7131.2-177.1179.4170.9-74.400111.1Q183 I185 Q194 K197 L198 V208 T212 N238 I239 V240Q183-M210 HydrophobicContact CB-CB 4.5Å; Q183-M210 HydrophobicContact CB-CE 4.14Å; Q183-M210 CarbonylContact O-C 3.54Å; Q183-M210 WeakPolarHBondContact O-CA 3.35Å; I185-M210 HydrophobicContact CD1-SD 3.9Å; I185-M210 HydrophobicContact CG1-SD 4.47Å; I185-M210 HydrophobicContact CG2-CE 4.37Å; Q194-M210 HydrophobicContact CB-CE 4.45Å; Q194-M210 HydrophobicContact CB-SD 4.2Å; Q194-M210 HydrophobicContact CG-CE 4.05Å; Q194-M210 HydrophobicContact CG-SD 3.77Å; K197-M210 HydrophobicContact CB-CE 3.82Å; L198-M210 HydrophobicContact CD1-CE 4.47Å; L198-M210 HydrophobicContact CD2-CE 3.86Å; L198-M210 HydrophobicContact CG-CE 3.78Å; V208-M210 HydrophobicContact CG1-CB 4.01Å; M210-T212 HydrophobicContact CG-CG2 4.48Å; M210-N238 PolarHBondContact N-O 3.28Å; M210-I239 HydrophobicContact CB-CG1 4.4Å; M210-I239 CarbonylContact O-C 3.52Å; M210-I239 WeakPolarHBondContact O-CA 3.28Å; M210-V240 PolarHBondContact O-N 2.89Å
211K98.8Very high98.7Very high6 Ų65.8 Ų5.83%0.0263%0.03CC..EExtended strand (participates in β ladder)trans-102.9116.6166.6-172-87.3171.6-158.40108.7Q183 I184 I185 E214 V240 G242 F243 A247 L251Q183-K211 PolarHBondContact O-N 2.93Å; I184-K211 HydrophobicContact CG1-CB 4.19Å; I184-K211 HydrophobicContact CG2-CD 4.17Å; I185-K211 PolarHBondContact N-O 3.1Å; I185-K211 VanDerWaalsContact N-O 3.15Å; K211-E214 IonicContact NZ-OE2 3.74Å; K211-E214 PolarHBondContact NZ-OE2 2.88Å; K211-V240 WeakPolarHBondContact CA-O 3.26Å; K211-G242 VanDerWaalsContact CE-C 3.5Å; K211-G242 WeakPolarHBondContact CE-O 3.43Å; K211-G242 PolarHBondContact NZ-O 2.91Å; K211-F243 WeakPolarHBondContact CE-O 3.42Å; K211-A247 HydrophobicContact CG-CB 4.06Å; K211-L251 HydrophobicContact CB-CD2 4.4Å
212T98.8Very high98.7Very high1 Ų16.9 Ų6.91%0.0063%0.034CC..PPolyproline II helixtrans-83.4150.3174.555.80000110.4I185 M210 A220 I239I185-T212 HydrophobicContact CD1-CG2 4.26Å; M210-T212 HydrophobicContact CG-CG2 4.48Å; T212-A220 HydrophobicContact CG2-CB 3.51Å; T212-I239 HydrophobicContact CG2-CG2 3.66Å
213A98.5Very high98.7Very high4 Ų46.9 Ų6.93%0.0334%0.035CC..PPolyproline II helixtrans-58.3139.117300000111.1I185 W187 Q215 T216I185-A213 PolarHBondContact O-N 3.18Å; W187-A213 HydrophobicContact CB-CB 3.64Å; W187-A213 HydrophobicContact CG-CB 4.43Å; A213-Q215 PolarHBondContact O-N 3.47Å; A213-T216 CarbonylContact O-C 3.42Å; A213-T216 PolarHBondContact O-N 2.96Å
214E98.4Very high98.7Very high47 Ų476.8 Ų6.822%0.223%0.034CC..THydrogen-bonded Turntrans-64.1-24.3-179.857.1-78.6178.400112.6F56 K211 F243F56-E214 HydrophobicContact CE2-CB 4.11Å; F56-E214 VanDerWaalsContact CE2-O 3.23Å; F56-E214 WeakPolarHBondContact CE2-O 3.32Å; F56-E214 HydrophobicContact CZ-CB 4.43Å; K211-E214 IonicContact NZ-OE2 3.74Å; K211-E214 PolarHBondContact NZ-OE2 2.88Å; E214-F243 HydrophobicContact CB-CD1 4.06Å; E214-F243 HydrophobicContact CB-CE1 4.14Å; E214-F243 HydrophobicContact CG-CD1 3.87Å; E214-F243 HydrophobicContact CG-CE1 4.07Å
215Q98.7Very high98.7Very high37 Ų377.8 Ų7.817%0.1734%0.037CC..THydrogen-bonded Turntrans-75.2-26.4177.3-57.678.41.300112.8T58 W187 A213 V364 D365T58-Q215 PolarHBondContact OG1-O 2.88Å; W187-Q215 HydrophobicContact CB-CB 3.92Å; W187-Q215 HydrophobicContact CB-CG 4.49Å; W187-Q215 VanDerWaalsContact CD1-OE1 3.3Å; W187-Q215 HydrophobicContact CG-CB 4.27Å; W187-Q215 HydrophobicContact CG-CG 4.35Å; A213-Q215 PolarHBondContact O-N 3.47Å; Q215-V364 HydrophobicContact CB-CG2 3.88Å; Q215-V364 HydrophobicContact CG-CG1 4.49Å; Q215-V364 HydrophobicContact CG-CG2 4.44Å; Q215-D365 WeakPolarHBondContact CG-OD2 3.3Å
216T98.7Very high98.7Very high3 Ų37.6 Ų7.62%0.0184%0.036CC..SBendtrans-144.457.2-169.160.70000113.9D128 N129 W187 P190 A213 V364D128-T216 VanDerWaalsContact OD2-C 3.25Å; D128-T216 WeakPolarHBondContact OD2-CA 3.34Å; N129-T216 HydrophobicContact CB-CG2 3.9Å; W187-T216 VanDerWaalsContact CA-OG1 3.25Å; W187-T216 WeakPolarHBondContact CA-OG1 3.16Å; W187-T216 HydrophobicContact CB-CG2 3.85Å; W187-T216 WeakPolarHBondContact CB-OG1 3.47Å; P190-T216 VanDerWaalsContact CG-CB 3.49Å; P190-T216 HydrophobicContact CG-CG2 3.89Å; P190-T216 WeakPolarHBondContact CG-OG1 3.42Å; A213-T216 CarbonylContact O-C 3.42Å; A213-T216 PolarHBondContact O-N 2.96Å; T216-V364 HydrophobicContact CG2-CG2 4.03Å
217P98.6Very high98.7Very high0 Ų07.6 Ų7.60%04%0.036CC..  trans-80.5-20.3-176.232.5-36000114.1F56 V70 D128 N221 P241F56-P217 HydrophobicContact CE2-CG 4.32Å; F56-P217 HydrophobicContact CZ-CG 4.32Å; V70-P217 HydrophobicContact CB-CG 4.36Å; V70-P217 HydrophobicContact CG1-CB 4.2Å; V70-P217 HydrophobicContact CG1-CG 4.03Å; V70-P217 HydrophobicContact CG2-CG 3.78Å; D128-P217 WeakPolarHBondContact OD2-CD 3.47Å; P217-N221 VanDerWaalsContact O-CG 3.29Å; P217-N221 PolarHBondContact O-N 3.21Å; P217-N221 VanDerWaalsContact O-N 3.13Å; P217-P241 HydrophobicContact CB-CB 4Å
218L98.8Very high98.7Very high1 Ų111 Ų111%0.0055%0.051CC..Hα-helixtrans-73.4-41.5-157.3-60.2-178.3000114.2I36 T58 I67 V70 L124 D128 N221 W222I36-L218 HydrophobicContact CD1-CD1 3.87Å; I36-L218 HydrophobicContact CG1-CD1 4.4Å; I36-L218 HydrophobicContact CG2-CD1 4.39Å; I36-L218 HydrophobicContact CG2-CD2 3.98Å; T58-L218 HydrophobicContact CG2-CD1 3.72Å; T58-L218 HydrophobicContact CG2-CD2 4.12Å; T58-L218 HydrophobicContact CG2-CG 3.95Å; I67-L218 HydrophobicContact CD1-CD1 4.49Å; I67-L218 HydrophobicContact CG2-CD1 3.87Å; V70-L218 HydrophobicContact CG2-CD2 3.84Å; L124-L218 HydrophobicContact CD1-CB 3.85Å; L124-L218 HydrophobicContact CD1-CD1 4.02Å; L124-L218 HydrophobicContact CD2-CB 4.07Å; L124-L218 HydrophobicContact CG-CB 4.01Å; D128-L218 HydrophobicContact CB-CD1 4.37Å; D128-L218 WeakPolarHBondContact OD1-CD1 3.13Å; D128-L218 WeakPolarHBondContact OD2-CB 3.45Å; D128-L218 VanDerWaalsContact OD2-CG 3.24Å; D128-L218 WeakPolarHBondContact OD2-CG 3.24Å; D128-L218 PolarHBondContact OD2-N 3.07Å; D128-L218 VanDerWaalsContact OD2-N 3.07Å; L218-N221 WeakPolarHBondContact O-CB 3.44Å; L218-N221 PolarHBondContact O-N 3.48Å; L218-W222 PolarHBondContact O-N 3.43Å; L218-W222 VanDerWaalsContact O-N 3.12Å
219S98.6Very high98.7Very high0 Ų015.5 Ų15.50%07%0.071CC..Hα-helixtrans-69.4-41.6-178.659.30000112.1E125 N221 W222 V223E125-S219 WeakPolarHBondContact OE2-CB 3.17Å; E125-S219 PolarHBondContact OE2-OG 2.82Å; S219-N221 VanDerWaalsContact C-N 3.27Å; S219-N221 PolarHBondContact O-N 3.41Å; S219-W222 PolarHBondContact O-N 3.28Å; S219-W222 VanDerWaalsContact O-N 3.12Å; S219-V223 PolarHBondContact O-N 3.03Å; S219-V223 VanDerWaalsContact O-N 3.08Å
220A97.7Very high98.7Very high1 Ų116 Ų161%0.0088%0.075CC..Hα-helixtrans-61.6-35.917400000112.2Q194 T212 V223 A224 I239Q194-A220 PolarHBondContact NE2-O 2.78Å; Q194-A220 VanDerWaalsContact NE2-O 3.09Å; T212-A220 HydrophobicContact CG2-CB 3.51Å; A220-V223 PolarHBondContact O-N 3.46Å; A220-A224 PolarHBondContact O-N 2.6Å; A220-A224 VanDerWaalsContact O-N 3.13Å; A220-I239 WeakPolarHBondContact O-CD1 3.49Å
221N98.4Very high98.7Very high0 Ų017.9 Ų17.90%010%0.095CC..Hα-helixtrans-63.4-42.5172.3-78.6-5.1000112.1R38 W47 P217 L218 S219 V223 A224 E225R38-N221 HydrophobicContact CB-CB 4.16Å; W47-N221 HydrophobicContact CH2-CB 3.64Å; W47-N221 WeakPolarHBondContact CH2-O 3.26Å; W47-N221 VanDerWaalsContact CZ2-O 3.26Å; W47-N221 WeakPolarHBondContact CZ2-O 3.37Å; W47-N221 HydrophobicContact CZ3-CB 4.04Å; P217-N221 VanDerWaalsContact O-CG 3.29Å; P217-N221 PolarHBondContact O-N 3.21Å; P217-N221 VanDerWaalsContact O-N 3.13Å; L218-N221 WeakPolarHBondContact O-CB 3.44Å; L218-N221 PolarHBondContact O-N 3.48Å; S219-N221 VanDerWaalsContact C-N 3.27Å; S219-N221 PolarHBondContact O-N 3.41Å; N221-V223 VanDerWaalsContact C-N 3.31Å; N221-V223 PolarHBondContact O-N 3.43Å; N221-A224 VanDerWaalsContact O-CB 3.28Å; N221-A224 WeakPolarHBondContact O-CB 3.31Å; N221-A224 PolarHBondContact O-N 3.18Å; N221-A224 VanDerWaalsContact O-N 3.1Å; N221-E225 PolarHBondContact O-N 3.43Å
222W98.6Very high98.7Very high23 Ų2317.7 Ų17.79%0.0879%0.094CC..Hα-helixtrans-63.5-38.3175.5-170.8-113.8000112.1K37 R38 D117 Y120 L121 L124 L218 S219 A224 E225 L226K37-W222 HydrophobicContact CB-CE3 3.9Å; K37-W222 HydrophobicContact CB-CH2 4.39Å; K37-W222 HydrophobicContact CB-CZ3 3.53Å; K37-W222 HydrophobicContact CD-CE3 4.07Å; K37-W222 HydrophobicContact CD-CH2 3.37Å; K37-W222 HydrophobicContact CD-CZ2 4.04Å; K37-W222 HydrophobicContact CD-CZ3 3.38Å; K37-W222 HydrophobicContact CG-CZ3 4.1Å; R38-W222 HydrophobicContact CG-CE3 3.92Å; R38-W222 HydrophobicContact CG-CZ3 4.13Å; D117-W222 PolarHBondContact OD2-NE1 3Å; Y120-W222 AromaticContact CD1-CD1 3.62Å; Y120-W222 HydrophobicContact CD1-CD2 4.31Å; Y120-W222 HydrophobicContact CD1-CG 4.05Å; Y120-W222 AromaticContact CD1-NE1 3.6Å; Y120-W222 HydrophobicContact CE1-CB 4.14Å; Y120-W222 AromaticContact CE1-CD1 3.56Å; Y120-W222 AromaticContact CE1-CD2 3.63Å; Y120-W222 HydrophobicContact CE1-CD2 3.63Å; Y120-W222 AromaticContact CE1-CE2 3.79Å; Y120-W222 HydrophobicContact CE1-CE3 4.37Å; Y120-W222 AromaticContact CE1-CG 3.49Å; Y120-W222 HydrophobicContact CE1-CG 3.49Å; Y120-W222 VanDerWaalsContact CE1-CG 3.49Å; Y120-W222 AromaticContact CE1-NE1 3.71Å; L121-W222 HydrophobicContact CD2-CB 4.06Å; L121-W222 HydrophobicContact CD2-CG 4.24Å; L124-W222 HydrophobicContact CD2-CB 4.45Å; L218-W222 PolarHBondContact O-N 3.43Å; L218-W222 VanDerWaalsContact O-N 3.12Å; S219-W222 PolarHBondContact O-N 3.28Å; S219-W222 VanDerWaalsContact O-N 3.12Å; W222-A224 PolarHBondContact O-N 3.11Å; W222-E225 HydrophobicContact CE3-CB 4.06Å; W222-E225 HydrophobicContact CE3-CG 4.41Å; W222-E225 HydrophobicContact CH2-CG 4.16Å; W222-E225 HydrophobicContact CZ3-CB 4.1Å; W222-E225 HydrophobicContact CZ3-CG 3.93Å; W222-E225 VanDerWaalsContact O-CB 3.29Å; W222-E225 WeakPolarHBondContact O-CB 3.28Å; W222-E225 PolarHBondContact O-N 3.35Å; W222-L226 PolarHBondContact O-N 3.41Å; W222-L226 VanDerWaalsContact O-N 3.16Å
223V98.8Very high98.7Very high1 Ų118.1 Ų18.11%0.00610%0.097CC..Hα-helixtrans-61.6-32.1173.6174.80000112.1L110 I114 L121 L191 Q194 S219 A220 N221 E225 L226 I227L110-V223 HydrophobicContact CD1-CG1 4.33Å; I114-V223 HydrophobicContact CD1-CG1 4.31Å; I114-V223 HydrophobicContact CD1-CG2 4.44Å; I114-V223 HydrophobicContact CG1-CG2 4.47Å; L121-V223 HydrophobicContact CD1-CG2 4.48Å; L121-V223 HydrophobicContact CD2-CG2 4.16Å; L191-V223 HydrophobicContact CD2-CG2 3.42Å; L191-V223 VanDerWaalsContact CD2-CG2 3.42Å; Q194-V223 VanDerWaalsContact OE1-CG1 3.32Å; S219-V223 PolarHBondContact O-N 3.03Å; S219-V223 VanDerWaalsContact O-N 3.08Å; A220-V223 PolarHBondContact O-N 3.46Å; N221-V223 VanDerWaalsContact C-N 3.31Å; N221-V223 PolarHBondContact O-N 3.43Å; V223-E225 VanDerWaalsContact C-N 3.32Å; V223-E225 PolarHBondContact O-N 3.24Å; V223-L226 CarbonylContact O-C 3.44Å; V223-L226 WeakPolarHBondContact O-CB 3.45Å; V223-L226 PolarHBondContact O-N 3.33Å; V223-L226 VanDerWaalsContact O-N 3.11Å; V223-I227 HydrophobicContact CG1-CD1 4.14Å; V223-I227 HydrophobicContact CG1-CG1 4.37Å; V223-I227 VanDerWaalsContact O-CG1 3.3Å; V223-I227 WeakPolarHBondContact O-CG1 3.32Å; V223-I227 PolarHBondContact O-N 2.74Å
224A98.8Very high98.7Very high0 Ų021.2 Ų21.20%012%0.117CC..Hα-helixtrans-60.4-39.3171.600000112.7F42 W47 A220 N221 W222 L226 I227 K228 I239F42-A224 HydrophobicContact CB-CB 4.03Å; F42-A224 HydrophobicContact CD1-CB 3.64Å; F42-A224 HydrophobicContact CD2-CB 3.88Å; F42-A224 HydrophobicContact CE1-CB 3.92Å; F42-A224 HydrophobicContact CE2-CB 4.13Å; F42-A224 HydrophobicContact CG-CB 3.58Å; F42-A224 HydrophobicContact CZ-CB 4.12Å; F42-A224 WeakPolarHBondContact CZ-O 3.47Å; W47-A224 HydrophobicContact CH2-CB 4.02Å; W47-A224 HydrophobicContact CZ2-CB 3.98Å; A220-A224 PolarHBondContact O-N 2.6Å; A220-A224 VanDerWaalsContact O-N 3.13Å; N221-A224 VanDerWaalsContact O-CB 3.28Å; N221-A224 WeakPolarHBondContact O-CB 3.31Å; N221-A224 PolarHBondContact O-N 3.18Å; N221-A224 VanDerWaalsContact O-N 3.1Å; W222-A224 PolarHBondContact O-N 3.11Å; A224-L226 VanDerWaalsContact C-N 3.31Å; A224-L226 PolarHBondContact O-N 3.49Å; A224-I227 WeakPolarHBondContact O-CB 3.43Å; A224-I227 PolarHBondContact O-N 3.04Å; A224-K228 PolarHBondContact O-N 2.8Å; A224-K228 VanDerWaalsContact O-N 3.12Å; A224-I239 HydrophobicContact CB-CD1 3.6Å; A224-I239 HydrophobicContact CB-CG1 4.21Å
225E98.6Very high98.7Very high36 Ų3619 Ų1917%0.16811%0.106CC..Hα-helixtrans-61.5-42.1172-169.970.9-175.300111.1R38 W47 N221 W222 V223 I227 K228 E229R38-E225 IonicContact CZ-OE1 2.83Å; R38-E225 IonicContact CZ-OE2 3.14Å; R38-E225 IonicContact NE-OE1 3.25Å; R38-E225 IonicContact NE-OE2 2.88Å; R38-E225 PolarHBondContact NE-OE2 3Å; R38-E225 IonicContact NH2-OE1 3.41Å; R38-E225 PolarHBondContact NH2-OE1 3.04Å; R38-E225 IonicContact NH2-OE2 3.49Å; R38-E225 PolarHBondContact NH2-OE2 3.22Å; R38-E225 VanDerWaalsContact NH2-OE2 3.14Å; W47-E225 PolarHBondContact NE1-OE2 3.36Å; N221-E225 PolarHBondContact O-N 3.43Å; W222-E225 HydrophobicContact CE3-CB 4.06Å; W222-E225 HydrophobicContact CE3-CG 4.41Å; W222-E225 HydrophobicContact CH2-CG 4.16Å; W222-E225 HydrophobicContact CZ3-CB 4.1Å; W222-E225 HydrophobicContact CZ3-CG 3.93Å; W222-E225 VanDerWaalsContact O-CB 3.29Å; W222-E225 WeakPolarHBondContact O-CB 3.28Å; W222-E225 PolarHBondContact O-N 3.35Å; V223-E225 VanDerWaalsContact C-N 3.32Å; V223-E225 PolarHBondContact O-N 3.24Å; E225-I227 VanDerWaalsContact C-N 3.3Å; E225-I227 PolarHBondContact O-N 2.89Å; E225-K228 WeakPolarHBondContact O-CB 3.36Å; E225-K228 PolarHBondContact O-N 2.68Å; E225-E229 PolarHBondContact O-N 2.85Å
226L98.9Very high98.7Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-68.5-28.8177.9-55.5-176000112.6L110 L113 I114 D117 L121 W222 V223 A224 E229 A230L110-L226 HydrophobicContact CD1-CB 3.82Å; L113-L226 HydrophobicContact CB-CB 4.26Å; L113-L226 HydrophobicContact CB-CD1 4.34Å; L113-L226 HydrophobicContact CB-CD2 4.32Å; L113-L226 HydrophobicContact CD1-CB 4.49Å; L113-L226 WeakPolarHBondContact CD1-O 3.45Å; I114-L226 HydrophobicContact CG1-CD1 3.87Å; D117-L226 HydrophobicContact CB-CD1 4.47Å; D117-L226 WeakPolarHBondContact OD2-CD2 3.4Å; L121-L226 HydrophobicContact CD1-CD1 4.21Å; W222-L226 PolarHBondContact O-N 3.41Å; W222-L226 VanDerWaalsContact O-N 3.16Å; V223-L226 CarbonylContact O-C 3.44Å; V223-L226 WeakPolarHBondContact O-CB 3.45Å; V223-L226 PolarHBondContact O-N 3.33Å; V223-L226 VanDerWaalsContact O-N 3.11Å; A224-L226 VanDerWaalsContact C-N 3.31Å; A224-L226 PolarHBondContact O-N 3.49Å; L226-E229 PolarHBondContact O-N 3.04Å; L226-A230 VanDerWaalsContact O-CB 3.25Å; L226-A230 WeakPolarHBondContact O-CB 2.92Å; L226-A230 PolarHBondContact O-N 3.3Å
227I98.9Very high98.7Very high0 Ų017.1 Ų17.10%010%0.097CC..Hα-helixtrans-65.7-42.7172-72.6166.3000110.5L110 L198 V223 A224 E225 A230 G231 F232 V237L110-I227 HydrophobicContact CD1-CG1 3.81Å; L110-I227 HydrophobicContact CD2-CD1 4.49Å; L110-I227 HydrophobicContact CD2-CG1 3.84Å; L110-I227 HydrophobicContact CG-CG1 4.48Å; L198-I227 HydrophobicContact CD1-CD1 3.76Å; V223-I227 HydrophobicContact CG1-CD1 4.14Å; V223-I227 HydrophobicContact CG1-CG1 4.37Å; V223-I227 VanDerWaalsContact O-CG1 3.3Å; V223-I227 WeakPolarHBondContact O-CG1 3.32Å; V223-I227 PolarHBondContact O-N 2.74Å; A224-I227 WeakPolarHBondContact O-CB 3.43Å; A224-I227 PolarHBondContact O-N 3.04Å; E225-I227 VanDerWaalsContact C-N 3.3Å; E225-I227 PolarHBondContact O-N 2.89Å; I227-A230 PolarHBondContact O-N 3.13Å; I227-G231 PolarHBondContact O-N 3.36Å; I227-F232 HydrophobicContact CB-CD2 4.44Å; I227-F232 HydrophobicContact CG2-CB 3.72Å; I227-F232 HydrophobicContact CG2-CD2 3.8Å; I227-F232 HydrophobicContact CG2-CG 3.88Å; I227-F232 WeakPolarHBondContact O-CD2 3.48Å; I227-F232 PolarHBondContact O-N 3.34Å; I227-V237 HydrophobicContact CD1-CB 4.22Å; I227-V237 HydrophobicContact CD1-CG1 3.91Å; I227-V237 HydrophobicContact CD1-CG2 4.2Å; I227-V237 HydrophobicContact CG2-CB 4.16Å; I227-V237 HydrophobicContact CG2-CG2 4.19Å
228K98.8Very high98.8Very high72 Ų7217.1 Ų17.131%0.31310%0.097SC..Hα-helixtrans-60.3-48.9171.4177.7-179.6-166.1156.20110.8F42 N45 E46 A224 E225 A230 G231F42-K228 HydrophobicContact CE2-CB 4.45Å; F42-K228 HydrophobicContact CZ-CB 4.21Å; N45-K228 HydrophobicContact CB-CB 4.29Å; N45-K228 HydrophobicContact CB-CD 4.22Å; N45-K228 HydrophobicContact CB-CG 4.04Å; N45-K228 VanDerWaalsContact O-CD 3.29Å; N45-K228 WeakPolarHBondContact O-CD 3.4Å; N45-K228 VanDerWaalsContact O-CE 3.3Å; N45-K228 WeakPolarHBondContact O-CE 3.21Å; N45-K228 PolarHBondContact O-NZ 3.01Å; E46-K228 IonicContact OE1-NZ 3.58Å; E46-K228 PolarHBondContact OE1-NZ 3.11Å; E46-K228 IonicContact OE2-NZ 3.96Å; A224-K228 PolarHBondContact O-N 2.8Å; A224-K228 VanDerWaalsContact O-N 3.12Å; E225-K228 WeakPolarHBondContact O-CB 3.36Å; E225-K228 PolarHBondContact O-N 2.68Å; K228-A230 VanDerWaalsContact C-N 3.31Å; K228-A230 PolarHBondContact O-N 3.35Å; K228-G231 PolarHBondContact O-N 3.47Å; K228-G231 VanDerWaalsContact O-N 3.13Å
229E98.8Very high98.8Very high93 Ų9317 Ų1744%0.43510%0.097SC..Hα-helixtrans-63.3-34.8-179.8-172.5-174.7166.900112.6L113 R116 E225 L226 G231L113-E229 HydrophobicContact CD1-CB 3.86Å; L113-E229 HydrophobicContact CD1-CG 3.86Å; L113-E229 HydrophobicContact CD2-CG 4.29Å; L113-E229 VanDerWaalsContact CD2-OE1 3.29Å; L113-E229 WeakPolarHBondContact CD2-OE1 3.33Å; R116-E229 IonicContact CZ-OE1 3.81Å; R116-E229 IonicContact CZ-OE2 3.7Å; R116-E229 VanDerWaalsContact NH1-CD 3.34Å; R116-E229 IonicContact NH1-OE1 2.87Å; R116-E229 PolarHBondContact NH1-OE1 3.41Å; R116-E229 IonicContact NH1-OE2 2.9Å; R116-E229 PolarHBondContact NH1-OE2 3.4Å; R116-E229 IonicContact NH2-OE1 3.91Å; R116-E229 IonicContact NH2-OE2 3.15Å; R116-E229 PolarHBondContact NH2-OE2 2.8Å; E225-E229 PolarHBondContact O-N 2.85Å; L226-E229 PolarHBondContact O-N 3.04Å; E229-G231 PolarHBondContact O-N 3.44Å
230A98.9Very high98.8Very high10 Ų1017 Ų178%0.08310%0.097CC..Hα-helixtrans-67.3-19.4176.700000113.2L106 K109 L110 L113 L226 I227 K228 F232L106-A230 WeakPolarHBondContact CD2-O 3.39Å; K109-A230 HydrophobicContact CB-CB 4.38Å; K109-A230 HydrophobicContact CG-CB 3.97Å; L110-A230 HydrophobicContact CB-CB 4.26Å; L113-A230 HydrophobicContact CD1-CB 3.95Å; L226-A230 VanDerWaalsContact O-CB 3.25Å; L226-A230 WeakPolarHBondContact O-CB 2.92Å; L226-A230 PolarHBondContact O-N 3.3Å; I227-A230 PolarHBondContact O-N 3.13Å; K228-A230 VanDerWaalsContact C-N 3.31Å; K228-A230 PolarHBondContact O-N 3.35Å; A230-F232 HydrophobicContact CB-CD2 3.94Å; A230-F232 HydrophobicContact CB-CE2 3.99Å
231G98.8Very high98.8Very high40 Ų4017 Ų1741%0.41210%0.097SC..THydrogen-bonded Turntrans94.222.2177.900000114.5I227 K228 E229I227-G231 PolarHBondContact O-N 3.36Å; K228-G231 PolarHBondContact O-N 3.47Å; K228-G231 VanDerWaalsContact O-N 3.13Å; E229-G231 PolarHBondContact O-N 3.44Å
232F98.9Very high98.8Very high3 Ų317 Ų171%0.01310%0.097CC..PPolyproline II helixtrans-64.2137170.6-75.5-95.4000110.3N45 W95 L106 L107 L110 L202 I227 A230 V236N45-F232 PolarHBondContact ND2-O 2.83Å; W95-F232 AromaticContact CH2-CD1 3.85Å; W95-F232 HydrophobicContact CH2-CD1 3.85Å; W95-F232 AromaticContact CH2-CE1 3.78Å; W95-F232 HydrophobicContact CH2-CE1 3.78Å; W95-F232 AromaticContact CZ3-CD1 3.94Å; W95-F232 HydrophobicContact CZ3-CD1 3.94Å; W95-F232 HydrophobicContact CZ3-CE1 4.22Å; L106-F232 HydrophobicContact CB-CD1 4.41Å; L106-F232 HydrophobicContact CB-CD2 4.26Å; L106-F232 HydrophobicContact CB-CE1 3.91Å; L106-F232 HydrophobicContact CB-CE2 3.74Å; L106-F232 HydrophobicContact CB-CZ 3.55Å; L106-F232 HydrophobicContact CD1-CD1 4.19Å; L106-F232 HydrophobicContact CD1-CE1 4.35Å; L106-F232 HydrophobicContact CD1-CG 4.43Å; L107-F232 HydrophobicContact CD2-CZ 4.19Å; L107-F232 HydrophobicContact CG-CZ 4.25Å; L110-F232 HydrophobicContact CB-CE2 4.2Å; L110-F232 HydrophobicContact CD2-CE2 4.37Å; L202-F232 HydrophobicContact CB-CE1 4.41Å; L202-F232 HydrophobicContact CD1-CE1 3.82Å; L202-F232 HydrophobicContact CD1-CZ 4.12Å; L202-F232 HydrophobicContact CD2-CE1 4.42Å; L202-F232 HydrophobicContact CG-CE1 4.44Å; I227-F232 HydrophobicContact CB-CD2 4.44Å; I227-F232 HydrophobicContact CG2-CB 3.72Å; I227-F232 HydrophobicContact CG2-CD2 3.8Å; I227-F232 HydrophobicContact CG2-CG 3.88Å; I227-F232 WeakPolarHBondContact O-CD2 3.48Å; I227-F232 PolarHBondContact O-N 3.34Å; A230-F232 HydrophobicContact CB-CD2 3.94Å; A230-F232 HydrophobicContact CB-CE2 3.99Å; F232-V236 HydrophobicContact CD1-CG1 4.19Å
233P98.9Very high98.7Very high9 Ų919.4 Ų19.46%0.05811%0.108CC..PPolyproline II helixtrans-59.4147.1179.1-2532.8000112.7E94 W95 M98 G235 V236E94-P233 HydrophobicContact CB-CG 4.34Å; E94-P233 HydrophobicContact CG-CB 4.46Å; E94-P233 HydrophobicContact CG-CG 3.9Å; W95-P233 HydrophobicContact CB-CG 4.41Å; W95-P233 HydrophobicContact CE3-CG 4.04Å; M98-P233 HydrophobicContact CE-CG 4Å; P233-G235 PolarHBondContact O-N 3.5Å; P233-V236 HydrophobicContact CB-CG2 3.86Å; P233-V236 HydrophobicContact CG-CG2 4.2Å; P233-V236 WeakPolarHBondContact O-CB 3.19Å; P233-V236 VanDerWaalsContact O-CG2 3.3Å; P233-V236 WeakPolarHBondContact O-CG2 3.23Å; P233-V236 PolarHBondContact O-N 3.37Å
234P98.9Very high98.7Very high70 Ų7021 Ų2146%0.45512%0.124SC..THydrogen-bonded Turntrans-52.8132.6176.5-27.235.4000112.2N44 A88 V236N44-P234 HydrophobicContact CB-CB 4.2Å; A88-P234 WeakPolarHBondContact CB-O 3.48Å; P234-V236 VanDerWaalsContact C-N 3.29Å; P234-V236 PolarHBondContact O-N 2.86Å
235G98.8Very high98.6Very high0 Ų027.5 Ų27.50%016%0.155CC..THydrogen-bonded Turntrans88.2-9.717600000113.7N44 A85 P233 V237 N238N44-G235 WeakPolarHBondContact OD1-CA 3.29Å; N44-G235 PolarHBondContact OD1-N 3.48Å; A85-G235 VanDerWaalsContact CA-O 3.28Å; A85-G235 WeakPolarHBondContact CA-O 3.23Å; P233-G235 PolarHBondContact O-N 3.5Å; G235-V237 VanDerWaalsContact C-N 3.32Å; G235-V237 PolarHBondContact O-N 3.49Å; G235-N238 PolarHBondContact O-ND2 3.03Å
236V98.9Very high98.6Very high0 Ų027.7 Ų27.70%016%0.158CC..SBendtrans-64.2-39.5175.6173.20000111.6A88 W95 L202 T207 V208 F232 P233 P234A88-V236 HydrophobicContact CB-CG2 4.2Å; W95-V236 HydrophobicContact CB-CG2 3.74Å; W95-V236 HydrophobicContact CD2-CB 4.4Å; W95-V236 HydrophobicContact CD2-CG1 3.84Å; W95-V236 HydrophobicContact CD2-CG2 3.6Å; W95-V236 HydrophobicContact CE3-CG1 4.26Å; W95-V236 HydrophobicContact CE3-CG2 4.01Å; W95-V236 HydrophobicContact CG-CG1 4.33Å; W95-V236 HydrophobicContact CG-CG2 3.46Å; W95-V236 VanDerWaalsContact CG-CG2 3.46Å; W95-V236 HydrophobicContact CH2-CG1 4.16Å; W95-V236 HydrophobicContact CZ2-CG1 3.71Å; W95-V236 HydrophobicContact CZ3-CG1 4.4Å; L202-V236 HydrophobicContact CD2-CG1 3.6Å; T207-V236 CarbonylContact C-O 3.54Å; T207-V236 WeakPolarHBondContact CA-O 3.5Å; V208-V236 PolarHBondContact N-O 3.46Å; F232-V236 HydrophobicContact CD1-CG1 4.19Å; P233-V236 HydrophobicContact CB-CG2 3.86Å; P233-V236 HydrophobicContact CG-CG2 4.2Å; P233-V236 WeakPolarHBondContact O-CB 3.19Å; P233-V236 VanDerWaalsContact O-CG2 3.3Å; P233-V236 WeakPolarHBondContact O-CG2 3.23Å; P233-V236 PolarHBondContact O-N 3.37Å; P234-V236 VanDerWaalsContact C-N 3.29Å; P234-V236 PolarHBondContact O-N 2.86Å
237V99Very high98.5Very high0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-125.8128.8170-1770000108.9F42 L198 L202 I227 G235 I239F42-V237 WeakPolarHBondContact CE1-O 3.45Å; L198-V237 HydrophobicContact CD1-CG1 4.35Å; L198-V237 HydrophobicContact CD2-CG1 4.09Å; L198-V237 HydrophobicContact CD2-CG2 4.23Å; L202-V237 HydrophobicContact CD1-CG2 4.03Å; L202-V237 HydrophobicContact CD2-CG2 3.8Å; L202-V237 HydrophobicContact CG-CG2 4.46Å; I227-V237 HydrophobicContact CD1-CB 4.22Å; I227-V237 HydrophobicContact CD1-CG1 3.91Å; I227-V237 HydrophobicContact CD1-CG2 4.2Å; I227-V237 HydrophobicContact CG2-CB 4.16Å; I227-V237 HydrophobicContact CG2-CG2 4.19Å; G235-V237 VanDerWaalsContact C-N 3.32Å; G235-V237 PolarHBondContact O-N 3.49Å; V237-I239 HydrophobicContact CG1-CG1 4.11Å
238N99Very high98.5Very high0 Ų027.9 Ų27.90%016%0.16CC..EExtended strand (participates in β ladder)trans-127.5134.4173.1-47.8-91000107.5F42 I43 N44 A81 A84 V208 V209 M210 G235F42-N238 CarbonylContact O-C 3.42Å; F42-N238 WeakPolarHBondContact O-CA 3.49Å; I43-N238 HydrophobicContact CG1-CB 4.35Å; N44-N238 PolarHBondContact N-OD1 2.89Å; A81-N238 HydrophobicContact CB-CB 3.88Å; A84-N238 WeakPolarHBondContact CB-OD1 3.41Å; V208-N238 PolarHBondContact O-N 3.01Å; V208-N238 PolarHBondContact O-ND2 3.48Å; V209-N238 CarbonylContact C-O 3.53Å; V209-N238 WeakPolarHBondContact CA-O 3.48Å; V209-N238 HydrophobicContact CG2-CB 4.46Å; M210-N238 PolarHBondContact N-O 3.28Å; G235-N238 PolarHBondContact O-ND2 3.03Å
239I98.9Very high98.5Very high0 Ų027.7 Ų27.70%016%0.162CC..EExtended strand (participates in β ladder)trans-121.3123-179-53.1-169.8000108.8F42 M210 T212 A220 A224 V237F42-I239 HydrophobicContact CB-CB 4.22Å; F42-I239 PolarHBondContact N-O 2.73Å; F42-I239 PolarHBondContact O-N 3.46Å; M210-I239 HydrophobicContact CB-CG1 4.4Å; M210-I239 CarbonylContact O-C 3.52Å; M210-I239 WeakPolarHBondContact O-CA 3.28Å; T212-I239 HydrophobicContact CG2-CG2 3.66Å; A220-I239 WeakPolarHBondContact O-CD1 3.49Å; A224-I239 HydrophobicContact CB-CD1 3.6Å; A224-I239 HydrophobicContact CB-CG1 4.21Å; V237-I239 HydrophobicContact CG1-CG1 4.11Å
240V98.9Very high98.5Very high0 Ų023.7 Ų23.70%015%0.145CC..  trans-120.692.4-178.5-173.70000108.4I41 D77 I78 A81 V209 M210 K211 A247I41-V240 HydrophobicContact CD1-CG1 4.37Å; I41-V240 HydrophobicContact CG2-CB 4.48Å; I41-V240 HydrophobicContact CG2-CG1 4.46Å; I41-V240 HydrophobicContact CG2-CG2 4.01Å; D77-V240 HydrophobicContact CB-CG1 4.2Å; I78-V240 HydrophobicContact CD1-CB 3.88Å; I78-V240 HydrophobicContact CD1-CG1 3.85Å; I78-V240 HydrophobicContact CD1-CG2 4.06Å; I78-V240 HydrophobicContact CG1-CG1 4.46Å; A81-V240 HydrophobicContact CB-CG2 3.76Å; V209-V240 HydrophobicContact CG1-CG2 4.32Å; M210-V240 PolarHBondContact O-N 2.89Å; K211-V240 WeakPolarHBondContact CA-O 3.26Å; V240-A247 HydrophobicContact CG1-CB 4.48Å
241P98.5Very high98.5Very high0 Ų023.2 Ų23.20%014%0.141CC..  trans-62.2144.8167.527-34.1000110.1I41 F56 V70 G73 P217I41-P241 HydrophobicContact CG1-CG 4.43Å; F56-P241 HydrophobicContact CE1-CB 4.34Å; F56-P241 HydrophobicContact CZ-CB 4.17Å; V70-P241 HydrophobicContact CG1-CB 3.74Å; V70-P241 HydrophobicContact CG1-CG 3.79Å; G73-P241 VanDerWaalsContact CA-O 3.24Å; G73-P241 WeakPolarHBondContact CA-O 3.35Å; G73-P241 PolarHBondContact N-O 3.46Å; P217-P241 HydrophobicContact CB-CB 4Å
242G97.2Very high98.4Very high0 Ų021.3 Ų21.30%012%0.122CC..BIsolated β-bridgetrans168.5-172.6-178.300000111.5K211K211-G242 VanDerWaalsContact CE-C 3.5Å; K211-G242 WeakPolarHBondContact CE-O 3.43Å; K211-G242 PolarHBondContact NZ-O 2.91Å
243F98.4Very high98.4Very high74 Ų7422.8 Ų22.833%0.32513%0.131SC..  trans-88.6161.9178.9-64.3-84.2000112.1F56 K211 E214 A247 G248F56-F243 HydrophobicContact CB-CE2 3.83Å; F56-F243 HydrophobicContact CB-CZ 3.69Å; F56-F243 HydrophobicContact CD1-CE2 4.22Å; F56-F243 HydrophobicContact CD2-CZ 4.48Å; F56-F243 HydrophobicContact CG-CE2 4.09Å; F56-F243 HydrophobicContact CG-CZ 4.01Å; K211-F243 WeakPolarHBondContact CE-O 3.42Å; E214-F243 HydrophobicContact CB-CD1 4.06Å; E214-F243 HydrophobicContact CB-CE1 4.14Å; E214-F243 HydrophobicContact CG-CD1 3.87Å; E214-F243 HydrophobicContact CG-CE1 4.07Å; F243-A247 PolarHBondContact O-N 2.99Å; F243-A247 VanDerWaalsContact O-N 3.15Å; F243-G248 PolarHBondContact O-N 3.35Å
244G97.5Very high98.4Very high33 Ų3323 Ų2334%0.3413%0.131SC..Iπ-helixtrans-65.1-45.3179.500000112.6T246 G248 D249G244-T246 VanDerWaalsContact C-N 3.28Å; G244-T246 PolarHBondContact O-N 3.03Å; G244-G248 CarbonylContact O-C 3.59Å; G244-G248 WeakPolarHBondContact O-CA 3.46Å; G244-G248 PolarHBondContact O-N 3.21Å; G244-D249 PolarHBondContact O-N 3Å
245E96.6Very high98.3Very high138 Ų13824.4 Ų24.465%0.64514%0.141SC*.Iπ-helixtrans-73.7-14-177.766.2-82.8-167.800114.3
246T98.2Very high98.3Very high40 Ų4028.3 Ų28.325%0.24516%0.161CC..Iπ-helixtrans-107.5-81.4176.356.30000111.1G244 G248 A250G244-T246 VanDerWaalsContact C-N 3.28Å; G244-T246 PolarHBondContact O-N 3.03Å; T246-G248 PolarHBondContact O-N 3.29Å; T246-A250 WeakPolarHBondContact O-CB 3.41Å; T246-A250 PolarHBondContact O-N 2.87Å
247A98.6Very high98.3Very high0 Ų028.5 Ų28.50%016%0.162CC..Iπ-helixtrans-63.7-41.5-17800000112.3I78 K211 V240 F243 L251I78-A247 HydrophobicContact CD1-CB 4.23Å; I78-A247 HydrophobicContact CG1-CB 4.26Å; K211-A247 HydrophobicContact CG-CB 4.06Å; V240-A247 HydrophobicContact CG1-CB 4.48Å; F243-A247 PolarHBondContact O-N 2.99Å; F243-A247 VanDerWaalsContact O-N 3.15Å; A247-L251 WeakPolarHBondContact O-CB 3.36Å; A247-L251 PolarHBondContact O-N 3.33Å; A247-L251 VanDerWaalsContact O-N 3.08Å
248G98.5Very high98.2Very high4 Ų430.7 Ų30.74%0.04117%0.174CC..Iπ-helixtrans-63.4-54.7179.500000112.5F243 G244 T246 A250 L251 V252F243-G248 PolarHBondContact O-N 3.35Å; G244-G248 CarbonylContact O-C 3.59Å; G244-G248 WeakPolarHBondContact O-CA 3.46Å; G244-G248 PolarHBondContact O-N 3.21Å; T246-G248 PolarHBondContact O-N 3.29Å; G248-A250 PolarHBondContact O-N 3.49Å; G248-L251 WeakPolarHBondContact O-CB 3.45Å; G248-L251 PolarHBondContact O-N 3.48Å; G248-V252 WeakPolarHBondContact O-CG2 3.43Å; G248-V252 PolarHBondContact O-N 3.32Å; G248-V252 VanDerWaalsContact O-N 3.14Å
249D98Very high98.2Very high67 Ų6730.7 Ų30.736%0.35817%0.174SC..Hα-helixtrans-63-43.3180-168.852.1000111.5G244 L251 V252 V253 N275G244-D249 PolarHBondContact O-N 3Å; D249-L251 VanDerWaalsContact C-N 3.27Å; D249-L251 PolarHBondContact O-N 2.86Å; D249-V252 PolarHBondContact O-N 3.02Å; D249-V252 VanDerWaalsContact O-N 3.11Å; D249-V253 WeakPolarHBondContact O-CG2 3.36Å; D249-V253 PolarHBondContact O-N 3.12Å; D249-N275 PolarHBondContact OD1-ND2 2.93Å
250A98.6Very high98.2Very high9 Ų930.7 Ų30.77%0.07417%0.174CC..Hα-helixtrans-54.3-43.617500000112.1K75 I78 T246 G248 H254K75-A250 HydrophobicContact CB-CB 3.81Å; K75-A250 HydrophobicContact CG-CB 3.95Å; I78-A250 HydrophobicContact CB-CB 4.3Å; I78-A250 HydrophobicContact CG1-CB 4.16Å; I78-A250 HydrophobicContact CG2-CB 4.39Å; T246-A250 WeakPolarHBondContact O-CB 3.41Å; T246-A250 PolarHBondContact O-N 2.87Å; G248-A250 PolarHBondContact O-N 3.49Å; A250-H254 WeakPolarHBondContact O-CB 3.34Å; A250-H254 PolarHBondContact O-N 3Å
251L98.7Very high98.2Very high0 Ų030.7 Ų30.70%017%0.174CC..Hα-helixtrans-65.5-40.1178.7-176.260.9000112.5I78 V82 I184 V209 K211 A247 G248 D249 V257 I260I78-L251 HydrophobicContact CD1-CB 4.18Å; I78-L251 HydrophobicContact CG2-CB 4.12Å; I78-L251 HydrophobicContact CG2-CD1 4.04Å; V82-L251 HydrophobicContact CG2-CD1 4.23Å; I184-L251 HydrophobicContact CD1-CD2 4.45Å; I184-L251 HydrophobicContact CG1-CD2 3.99Å; V209-L251 HydrophobicContact CB-CD1 3.89Å; V209-L251 HydrophobicContact CG1-CD1 3.75Å; V209-L251 HydrophobicContact CG1-CD2 4.42Å; K211-L251 HydrophobicContact CB-CD2 4.4Å; A247-L251 WeakPolarHBondContact O-CB 3.36Å; A247-L251 PolarHBondContact O-N 3.33Å; A247-L251 VanDerWaalsContact O-N 3.08Å; G248-L251 WeakPolarHBondContact O-CB 3.45Å; G248-L251 PolarHBondContact O-N 3.48Å; D249-L251 VanDerWaalsContact C-N 3.27Å; D249-L251 PolarHBondContact O-N 2.86Å; L251-V257 HydrophobicContact CD1-CG2 3.97Å; L251-I260 HydrophobicContact CG-CD1 4.39Å
252V98.6Very high98.2Very high1 Ų131.3 Ų31.31%0.00618%0.177CC..Hα-helixtrans-67.3-42.9-180174.90000111.5I184 G248 D249 I260 I272 N275 A276 K282I184-V252 HydrophobicContact CD1-CG2 3.66Å; G248-V252 WeakPolarHBondContact O-CG2 3.43Å; G248-V252 PolarHBondContact O-N 3.32Å; G248-V252 VanDerWaalsContact O-N 3.14Å; D249-V252 PolarHBondContact O-N 3.02Å; D249-V252 VanDerWaalsContact O-N 3.11Å; V252-I260 HydrophobicContact CG2-CD1 4.33Å; V252-I260 HydrophobicContact CG2-CG1 4.46Å; V252-I260 HydrophobicContact CG2-CG2 4.35Å; V252-I272 HydrophobicContact CG1-CG2 4.18Å; V252-I272 HydrophobicContact CG2-CD1 4.38Å; V252-I272 HydrophobicContact CG2-CG1 4.03Å; V252-I272 HydrophobicContact CG2-CG2 4.07Å; V252-N275 HydrophobicContact CG1-CB 3.71Å; V252-A276 HydrophobicContact CG1-CB 4.18Å; V252-K282 WeakPolarHBondContact O-CE 3.47Å; V252-K282 PolarHBondContact O-NZ 3.06Å
253V98.1Very high98.3Very high34 Ų3431.9 Ų31.921%0.20618%0.181CC..Hα-helixtrans-85.3-8.8-177.7-53.50000113.4D249 N275 H279D249-V253 WeakPolarHBondContact O-CG2 3.36Å; D249-V253 PolarHBondContact O-N 3.12Å; V253-N275 HydrophobicContact CG1-CB 4.06Å; V253-H279 HydrophobicContact CB-CB 4.09Å; V253-H279 HydrophobicContact CG1-CB 4.47Å
254H98.6Very high98.3Very high12 Ų1229.4 Ų29.46%0.05618%0.175CC..  trans-59129.3-177-165.1-72.5000111.5D79 V82 A250 D256 V257 K282D79-H254 IonicContact OD1-CD2 3.82Å; D79-H254 PolarHBondContact OD1-CD2 2.92Å; D79-H254 IonicContact OD1-NE2 3.33Å; D79-H254 PolarHBondContact OD1-NE2 3.21Å; V82-H254 WeakPolarHBondContact CG1-CE1 3.39Å; A250-H254 WeakPolarHBondContact O-CB 3.34Å; A250-H254 PolarHBondContact O-N 3Å; H254-D256 IonicContact CE1-OD2 3.48Å; H254-D256 PolarHBondContact ND1-N 3.43Å; H254-D256 PolarHBondContact O-N 2.83Å; H254-V257 HydrophobicContact CB-CB 4.46Å; H254-V257 HydrophobicContact CB-CG2 3.8Å; H254-V257 PolarHBondContact O-N 3.27Å; H254-K282 WeakPolarHBondContact O-CE 3.13Å; H254-K282 PolarHBondContact O-NZ 3.35Å
255P97.1Very high98.3Very high101 Ų10130.4 Ų30.466%0.65618%0.177SC*.THydrogen-bonded Turntrans-66.5-34-174.425-34.4000113.4V257P255-V257 VanDerWaalsContact C-N 3.33Å; P255-V257 PolarHBondContact O-N 2.74Å
256D98.1Very high98.4Very high82 Ų8224.4 Ų24.444%0.43915%0.15SC..THydrogen-bonded Turntrans-91.822.6-178.1-54.9-44.7000114.4V82 R86 H254V82-D256 HydrophobicContact CG1-CB 3.89Å; R86-D256 PolarHBondContact NH2-O 3.41Å; H254-D256 IonicContact CE1-OD2 3.48Å; H254-D256 PolarHBondContact ND1-N 3.43Å; H254-D256 PolarHBondContact O-N 2.83Å
257V98.7Very high98.4Very high3 Ų325.7 Ų25.72%0.01817%0.165CC..  trans-103.7124.1171.11730000108.8V82 V180 L251 H254 P255 K259 I260 K282V82-V257 HydrophobicContact CG1-CG2 4.19Å; V82-V257 HydrophobicContact CG2-CG2 3.67Å; V180-V257 HydrophobicContact CG1-CG2 4.24Å; L251-V257 HydrophobicContact CD1-CG2 3.97Å; H254-V257 HydrophobicContact CB-CB 4.46Å; H254-V257 HydrophobicContact CB-CG2 3.8Å; H254-V257 PolarHBondContact O-N 3.27Å; P255-V257 VanDerWaalsContact C-N 3.33Å; P255-V257 PolarHBondContact O-N 2.74Å; V257-K259 VanDerWaalsContact CG1-O 3.31Å; V257-K259 WeakPolarHBondContact CG1-O 3.32Å; V257-I260 HydrophobicContact CG1-CD1 3.68Å; V257-I260 HydrophobicContact CG1-CG1 4.5Å; V257-K282 HydrophobicContact CB-CD 4.41Å; V257-K282 HydrophobicContact CG1-CD 4.38Å; V257-K282 WeakPolarHBondContact O-CD 3.21Å; V257-K282 WeakPolarHBondContact O-CE 3.45Å; V257-K282 WeakPolarHBondContact O-CG 3.24Å
258D98.5Very high98.4Very high46 Ų4628.6 Ų28.625%0.24618%0.183CC..  trans-86.2-28.8-171.6-55.2-49.5000112.1R86 V178 G179 V180 R283R86-D258 IonicContact CZ-OD1 2.66Å; R86-D258 IonicContact CZ-OD2 3.83Å; R86-D258 VanDerWaalsContact CZ-OD2 3.26Å; R86-D258 IonicContact NH1-OD1 3.76Å; R86-D258 IonicContact NH1-OD2 3.79Å; R86-D258 PolarHBondContact NH1-OD2 2.92Å; R86-D258 IonicContact NH2-OD1 2.64Å; R86-D258 PolarHBondContact NH2-OD1 2.99Å; R86-D258 IonicContact NH2-OD2 3.68Å; R86-D258 PolarHBondContact NH2-OD2 2.99Å; V178-D258 HydrophobicContact CG1-CB 3.92Å; V178-D258 WeakPolarHBondContact O-CB 3.46Å; G179-D258 WeakPolarHBondContact CA-OD2 3.47Å; V180-D258 PolarHBondContact N-OD2 3.13Å; V180-D258 PolarHBondContact O-N 3.33Å; D258-R283 PolarHBondContact O-N 3.01Å
259K98.7Very high98.3Very high1 Ų128.4 Ų28.40%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-145.4142.8-176.7167.1169.4175.150.70112.1V178 V180 C181 G182 V257 R283 T285 N503 Y504V178-K259 HydrophobicContact CG1-CB 3.69Å; V178-K259 HydrophobicContact CG1-CD 4.49Å; V180-K259 PolarHBondContact O-N 3.01Å; C181-K259 CarbonylContact C-O 3.59Å; C181-K259 WeakPolarHBondContact CA-O 3.35Å; G182-K259 PolarHBondContact N-O 3Å; V257-K259 VanDerWaalsContact CG1-O 3.31Å; V257-K259 WeakPolarHBondContact CG1-O 3.32Å; K259-R283 CarbonylContact C-O 3.58Å; K259-R283 WeakPolarHBondContact CA-O 3.19Å; K259-R283 HydrophobicContact CB-CB 4.16Å; K259-R283 HydrophobicContact CG-CB 4.26Å; K259-T285 PolarHBondContact NZ-OG1 2.96Å; K259-N503 WeakPolarHBondContact CD-O 3.3Å; K259-N503 WeakPolarHBondContact CE-O 3.27Å; K259-Y504 HydrophobicContact CD-CD1 4.07Å; K259-Y504 HydrophobicContact CD-CE1 4.21Å
260I98.8Very high98.3Very high0 Ų031 Ų310%019%0.185CC..EExtended strand (participates in β ladder)trans-110136.4164.8-59.2-61.9000110.3G182 L251 V252 V257 F262 I272 K282 R283 I284 T285G182-I260 CarbonylContact O-C 3.58Å; G182-I260 WeakPolarHBondContact O-CA 3.49Å; L251-I260 HydrophobicContact CG-CD1 4.39Å; V252-I260 HydrophobicContact CG2-CD1 4.33Å; V252-I260 HydrophobicContact CG2-CG1 4.46Å; V252-I260 HydrophobicContact CG2-CG2 4.35Å; V257-I260 HydrophobicContact CG1-CD1 3.68Å; V257-I260 HydrophobicContact CG1-CG1 4.5Å; I260-F262 HydrophobicContact CG2-CB 4.49Å; I260-I272 HydrophobicContact CG2-CG2 3.77Å; I260-K282 HydrophobicContact CG1-CD 4.17Å; I260-R283 PolarHBondContact N-O 3.39Å; I260-I284 HydrophobicContact CB-CG2 4.49Å; I260-I284 WeakPolarHBondContact O-CA 3.31Å; I260-T285 PolarHBondContact O-N 2.91Å
261A98.9Very high98.3Very high0 Ų035.1 Ų35.10%021%0.206CC..EExtended strand (participates in β ladder)trans-123.2119.1163.500000108.1G182 Q183 I184 K197 T285G182-A261 PolarHBondContact O-N 3.01Å; Q183-A261 WeakPolarHBondContact CA-O 3.28Å; Q183-A261 HydrophobicContact CG-CB 4.49Å; I184-A261 PolarHBondContact N-O 3.47Å; K197-A261 HydrophobicContact CD-CB 3.9Å; A261-T285 WeakPolarHBondContact CA-O 3.36Å
262F98.8Very high98.3Very high12 Ų1235.7 Ų35.75%0.05321%0.209CC..EExtended strand (participates in β ladder)trans-122.2135.9-177.7168.8-100.6000110.5I184 I260 G264 V268 I272 T285 L286 E287 L288I184-F262 HydrophobicContact CB-CD2 3.86Å; I184-F262 HydrophobicContact CG2-CD2 3.68Å; I184-F262 HydrophobicContact CG2-CE2 4.02Å; I184-F262 WeakPolarHBondContact O-CA 3.44Å; I260-F262 HydrophobicContact CG2-CB 4.49Å; F262-G264 VanDerWaalsContact CZ-CA 3.49Å; F262-V268 HydrophobicContact CE1-CB 4.33Å; F262-V268 HydrophobicContact CE1-CG1 4.23Å; F262-V268 HydrophobicContact CE2-CB 4.47Å; F262-V268 HydrophobicContact CE2-CG1 3.71Å; F262-V268 HydrophobicContact CZ-CB 3.74Å; F262-V268 HydrophobicContact CZ-CG1 3.45Å; F262-V268 VanDerWaalsContact CZ-CG1 3.45Å; F262-I272 HydrophobicContact CB-CD1 3.75Å; F262-I272 HydrophobicContact CB-CG2 4.39Å; F262-I272 HydrophobicContact CD1-CD1 3.88Å; F262-I272 HydrophobicContact CD2-CD1 3.13Å; F262-I272 HydrophobicContact CE1-CD1 4.24Å; F262-I272 HydrophobicContact CE2-CD1 3.57Å; F262-I272 HydrophobicContact CG-CD1 3.3Å; F262-I272 HydrophobicContact CZ-CD1 4.1Å; F262-T285 PolarHBondContact N-O 3.5Å; F262-L286 HydrophobicContact CB-CD2 3.96Å; F262-L286 HydrophobicContact CD1-CD2 4.19Å; F262-L286 WeakPolarHBondContact O-CA 3.43Å; F262-E287 PolarHBondContact O-N 3.44Å; F262-L288 HydrophobicContact CD1-CD2 3.67Å; F262-L288 HydrophobicContact CE1-CD2 3.55Å
263T98.9Very high98.2Very high13 Ų1336.4 Ų36.48%0.0822%0.217CC..EExtended strand (participates in β ladder)trans-122.2131.3164.8-57.30000109.7I184 P186 M193 K197 E287I184-T263 PolarHBondContact O-N 3.07Å; P186-T263 WeakPolarHBondContact CD-O 3.29Å; P186-T263 HydrophobicContact CG-CG2 3.8Å; M193-T263 HydrophobicContact SD-CG2 3.96Å; K197-T263 WeakPolarHBondContact CE-OG1 3.42Å; K197-T263 PolarHBondContact NZ-OG1 2.98Å; T263-E287 WeakPolarHBondContact CA-O 3.47Å; T263-E287 HydrophobicContact CG2-CB 3.92Å; T263-E287 WeakPolarHBondContact CG2-O 3.38Å; T263-E287 WeakPolarHBondContact OG1-CB 3.27Å
264G98.4Very high98.1Very high21 Ų2140.8 Ų40.822%0.21624%0.235CC..SBendtrans160-151.5179.900000113.3F262 E287 L288 G289F262-G264 VanDerWaalsContact CZ-CA 3.49Å; G264-E287 PolarHBondContact N-O 3.38Å; G264-L288 VanDerWaalsContact O-CA 3.29Å; G264-L288 WeakPolarHBondContact O-CA 3.07Å; G264-G289 PolarHBondContact O-N 3.49Å
265S98.1Very high98.1Very high54 Ų5442 Ų4238%0.37824%0.242SC..  trans-69.1149.1-174.2760000112.6A267 V268 G269S265-A267 PolarHBondContact O-N 3.06Å; S265-V268 PolarHBondContact O-N 3.21Å; S265-V268 VanDerWaalsContact OG-CG2 3.32Å; S265-V268 WeakPolarHBondContact OG-CG2 3.34Å; S265-V268 PolarHBondContact OG-N 2.85Å; S265-G269 PolarHBondContact O-N 2.87Å
266T98.2Very high98Very high12 Ų1237.2 Ų37.27%0.07421%0.21CC..Hα-helixtrans-60.4-35.7176.6-63.90000112.2G269 R270 Y444 F489T266-G269 PolarHBondContact O-N 2.65Å; T266-R270 WeakPolarHBondContact O-CG 3.2Å; T266-R270 PolarHBondContact O-N 3.16Å; T266-R270 VanDerWaalsContact O-N 3.1Å; T266-Y444 WeakPolarHBondContact OG1-CE1 3.49Å; T266-F489 HydrophobicContact CG2-CB 3.93Å; T266-F489 PolarHBondContact OG1-O 2.73Å
267A97.3Very high97.9Very high68 Ų6841.2 Ų41.256%0.56222%0.221SC*.Hα-helixtrans-61.4-49.1177.700000111.6S265 R270 L271S265-A267 PolarHBondContact O-N 3.06Å; A267-R270 PolarHBondContact O-N 3.5Å; A267-L271 PolarHBondContact O-N 2.81Å
268V98.2Very high97.8Very high61 Ų6148.5 Ų48.537%0.3725%0.252SS..Hα-helixtrans-68.5-38.4177.5176.20000111F262 S265 R270 L271 I272F262-V268 HydrophobicContact CE1-CB 4.33Å; F262-V268 HydrophobicContact CE1-CG1 4.23Å; F262-V268 HydrophobicContact CE2-CB 4.47Å; F262-V268 HydrophobicContact CE2-CG1 3.71Å; F262-V268 HydrophobicContact CZ-CB 3.74Å; F262-V268 HydrophobicContact CZ-CG1 3.45Å; F262-V268 VanDerWaalsContact CZ-CG1 3.45Å; S265-V268 PolarHBondContact O-N 3.21Å; S265-V268 VanDerWaalsContact OG-CG2 3.32Å; S265-V268 WeakPolarHBondContact OG-CG2 3.34Å; S265-V268 PolarHBondContact OG-N 2.85Å; V268-R270 VanDerWaalsContact C-N 3.27Å; V268-R270 PolarHBondContact O-N 2.89Å; V268-L271 WeakPolarHBondContact O-CB 3.36Å; V268-L271 PolarHBondContact O-N 3.19Å; V268-L271 VanDerWaalsContact O-N 3.07Å; V268-I272 HydrophobicContact CG1-CD1 3.81Å; V268-I272 HydrophobicContact CG1-CG1 4.18Å; V268-I272 WeakPolarHBondContact O-CG1 3.18Å; V268-I272 PolarHBondContact O-N 2.89Å
269G98.3Very high97.5Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-56.5-38.5175.900000113.7S265 T266 I272 G273S265-G269 PolarHBondContact O-N 2.87Å; T266-G269 PolarHBondContact O-N 2.65Å; G269-I272 PolarHBondContact O-N 3.21Å; G269-G273 PolarHBondContact O-N 3.12Å
270R97.5Very high97.1Very high120 Ų12052.4 Ų52.445%0.45328%0.282SS..Hα-helixtrans-64.7-44.3174-72178.5-178.8172.34.7112.1T266 A267 V268 I272 G273 Q274T266-R270 WeakPolarHBondContact O-CG 3.2Å; T266-R270 PolarHBondContact O-N 3.16Å; T266-R270 VanDerWaalsContact O-N 3.1Å; A267-R270 PolarHBondContact O-N 3.5Å; V268-R270 VanDerWaalsContact C-N 3.27Å; V268-R270 PolarHBondContact O-N 2.89Å; R270-I272 VanDerWaalsContact C-N 3.34Å; R270-G273 PolarHBondContact O-N 2.93Å; R270-Q274 VanDerWaalsContact O-CG 3.31Å; R270-Q274 WeakPolarHBondContact O-CG 3.46Å; R270-Q274 PolarHBondContact O-N 2.83Å
271L97.8Very high96.9Very high96 Ų9657 Ų5750%0.50331%0.31SS..Hα-helixtrans-61.1-44.6176.6-65.2174.4000110.8A267 V268 G273 Q274 N275A267-L271 PolarHBondContact O-N 2.81Å; V268-L271 WeakPolarHBondContact O-CB 3.36Å; V268-L271 PolarHBondContact O-N 3.19Å; V268-L271 VanDerWaalsContact O-N 3.07Å; L271-G273 PolarHBondContact O-N 3.49Å; L271-Q274 PolarHBondContact O-N 2.93Å; L271-N275 WeakPolarHBondContact O-CB 3.47Å; L271-N275 PolarHBondContact O-N 3.34Å
272I98Very high96.8Very high12 Ų1257.6 Ų57.66%0.06231%0.313CS..Hα-helixtrans-62-45.9177.3-69.3177.7000111.1I184 V252 I260 F262 V268 G269 R270 Q274 N275 A276 L286I184-I272 HydrophobicContact CD1-CD1 4.28Å; V252-I272 HydrophobicContact CG1-CG2 4.18Å; V252-I272 HydrophobicContact CG2-CD1 4.38Å; V252-I272 HydrophobicContact CG2-CG1 4.03Å; V252-I272 HydrophobicContact CG2-CG2 4.07Å; I260-I272 HydrophobicContact CG2-CG2 3.77Å; F262-I272 HydrophobicContact CB-CD1 3.75Å; F262-I272 HydrophobicContact CB-CG2 4.39Å; F262-I272 HydrophobicContact CD1-CD1 3.88Å; F262-I272 HydrophobicContact CD2-CD1 3.13Å; F262-I272 HydrophobicContact CE1-CD1 4.24Å; F262-I272 HydrophobicContact CE2-CD1 3.57Å; F262-I272 HydrophobicContact CG-CD1 3.3Å; F262-I272 HydrophobicContact CZ-CD1 4.1Å; V268-I272 HydrophobicContact CG1-CD1 3.81Å; V268-I272 HydrophobicContact CG1-CG1 4.18Å; V268-I272 WeakPolarHBondContact O-CG1 3.18Å; V268-I272 PolarHBondContact O-N 2.89Å; G269-I272 PolarHBondContact O-N 3.21Å; R270-I272 VanDerWaalsContact C-N 3.34Å; I272-Q274 VanDerWaalsContact C-N 3.31Å; I272-Q274 PolarHBondContact O-N 2.78Å; I272-N275 PolarHBondContact O-N 3.21Å; I272-A276 WeakPolarHBondContact O-CB 3.18Å; I272-A276 PolarHBondContact O-N 2.74Å; I272-L286 HydrophobicContact CG2-CD2 4.16Å
273G96.6Very high96.8Very high17 Ų1762.2 Ų62.218%0.17533%0.33CS..Hα-helixtrans-58.3-43.2176.800000112.6G269 R270 L271 Y277G269-G273 PolarHBondContact O-N 3.12Å; R270-G273 PolarHBondContact O-N 2.93Å; L271-G273 PolarHBondContact O-N 3.49Å; G273-Y277 WeakPolarHBondContact O-CB 3.42Å; G273-Y277 PolarHBondContact O-N 2.83Å
274Q97.2Very high96.7Very high125 Ų12564.3 Ų64.358%0.58434%0.34SS*.Hα-helixtrans-64-49.8176.3-70.4171.32.700111.9R270 L271 I272 Y277 K278R270-Q274 VanDerWaalsContact O-CG 3.31Å; R270-Q274 WeakPolarHBondContact O-CG 3.46Å; R270-Q274 PolarHBondContact O-N 2.83Å; L271-Q274 PolarHBondContact O-N 2.93Å; I272-Q274 VanDerWaalsContact C-N 3.31Å; I272-Q274 PolarHBondContact O-N 2.78Å; Q274-Y277 PolarHBondContact O-N 2.71Å; Q274-K278 VanDerWaalsContact O-CB 3.29Å; Q274-K278 WeakPolarHBondContact O-CB 3.33Å; Q274-K278 PolarHBondContact O-N 2.88Å
275N97.4Very high96.7Very high38 Ų3863.5 Ų63.520%0.20333%0.331CS..Hα-helixtrans-68.6-41.9-176.5-76.4-5.8000111.8D249 V252 V253 L271 I272 Y277 K278 H279D249-N275 PolarHBondContact OD1-ND2 2.93Å; V252-N275 HydrophobicContact CG1-CB 3.71Å; V253-N275 HydrophobicContact CG1-CB 4.06Å; L271-N275 WeakPolarHBondContact O-CB 3.47Å; L271-N275 PolarHBondContact O-N 3.34Å; I272-N275 PolarHBondContact O-N 3.21Å; N275-Y277 VanDerWaalsContact C-N 3.31Å; N275-Y277 PolarHBondContact O-N 2.76Å; N275-K278 PolarHBondContact O-N 3.1Å; N275-H279 WeakPolarHBondContact O-CB 3.39Å; N275-H279 PolarHBondContact O-CD2 3.33Å; N275-H279 VanDerWaalsContact O-CD2 3.27Å; N275-H279 PolarHBondContact O-N 3.25Å
276A96.3Very high96.8Very high0 Ų061.5 Ų61.50%032%0.316CS..Hα-helixtrans-61.1-39.417700000112.3V252 I272 V281 K282 I284V252-A276 HydrophobicContact CG1-CB 4.18Å; I272-A276 WeakPolarHBondContact O-CB 3.18Å; I272-A276 PolarHBondContact O-N 2.74Å; A276-V281 PolarHBondContact O-N 2.77Å; A276-K282 HydrophobicContact CB-CB 4.3Å; A276-K282 PolarHBondContact O-N 2.9Å; A276-K282 VanDerWaalsContact O-N 3.13Å; A276-I284 HydrophobicContact CB-CG2 3.45Å; A276-I284 VanDerWaalsContact CB-CG2 3.45Å
277Y94.9Very high96.8Very high166 Ų16661.2 Ų61.265%0.65131%0.314SS*.Hα-helixtrans-68-52.1174.7-174.4-94.4000111.2G273 Q274 N275 H279 V281G273-Y277 WeakPolarHBondContact O-CB 3.42Å; G273-Y277 PolarHBondContact O-N 2.83Å; Q274-Y277 PolarHBondContact O-N 2.71Å; N275-Y277 VanDerWaalsContact C-N 3.31Å; N275-Y277 PolarHBondContact O-N 2.76Å; Y277-H279 VanDerWaalsContact C-N 3.31Å; Y277-H279 PolarHBondContact O-N 2.84Å; Y277-V281 HydrophobicContact CD2-CG1 4.2Å; Y277-V281 HydrophobicContact CE2-CG1 4.1Å; Y277-V281 PolarHBondContact O-N 3.05Å
278K96.4Very high96.9Very high157 Ų15758.5 Ų58.568%0.68329%0.289SS*.Hα-helixtrans-60.3-36.3-176.6-177.6179.3175.4-172.20113.4Q274 N275Q274-K278 VanDerWaalsContact O-CB 3.29Å; Q274-K278 WeakPolarHBondContact O-CB 3.33Å; Q274-K278 PolarHBondContact O-N 2.88Å; N275-K278 PolarHBondContact O-N 3.1Å
279H94Very high96.8Very high77 Ų7755.7 Ų55.736%0.35627%0.273SS..THydrogen-bonded Turntrans-106.422.8-170.9-65.8-82.3000114.1V253 N275 Y277 K282V253-H279 HydrophobicContact CB-CB 4.09Å; V253-H279 HydrophobicContact CG1-CB 4.47Å; N275-H279 WeakPolarHBondContact O-CB 3.39Å; N275-H279 PolarHBondContact O-CD2 3.33Å; N275-H279 VanDerWaalsContact O-CD2 3.27Å; N275-H279 PolarHBondContact O-N 3.25Å; Y277-H279 VanDerWaalsContact C-N 3.31Å; Y277-H279 PolarHBondContact O-N 2.84Å; H279-K282 PolarHBondContact O-NZ 3.38Å
280G90Very high96.8Very high51 Ų5155.8 Ų55.853%0.52627%0.274SS..THydrogen-bonded Turntrans154.35.7173.100000116.4K282G280-K282 PolarHBondContact O-N 2.97Å
281V94.5Very high96.9Very high96 Ų9650.2 Ų50.258%0.58225%0.253SS*.  trans51.341.7-176.2-160.50000111A276 Y277A276-V281 PolarHBondContact O-N 2.77Å; Y277-V281 HydrophobicContact CD2-CG1 4.2Å; Y277-V281 HydrophobicContact CE2-CG1 4.1Å; Y277-V281 PolarHBondContact O-N 3.05Å
282K96.5Very high97Very high14 Ų1445.7 Ų45.76%0.06123%0.23CC..  trans-66.7150-174.8-57.4-177.617480.60110.3V252 H254 V257 I260 A276 H279 G280 I284V252-K282 WeakPolarHBondContact O-CE 3.47Å; V252-K282 PolarHBondContact O-NZ 3.06Å; H254-K282 WeakPolarHBondContact O-CE 3.13Å; H254-K282 PolarHBondContact O-NZ 3.35Å; V257-K282 HydrophobicContact CB-CD 4.41Å; V257-K282 HydrophobicContact CG1-CD 4.38Å; V257-K282 WeakPolarHBondContact O-CD 3.21Å; V257-K282 WeakPolarHBondContact O-CE 3.45Å; V257-K282 WeakPolarHBondContact O-CG 3.24Å; I260-K282 HydrophobicContact CG1-CD 4.17Å; A276-K282 HydrophobicContact CB-CB 4.3Å; A276-K282 PolarHBondContact O-N 2.9Å; A276-K282 VanDerWaalsContact O-N 3.13Å; H279-K282 PolarHBondContact O-NZ 3.38Å; G280-K282 PolarHBondContact O-N 2.97Å; K282-I284 PolarHBondContact O-N 3.37Å
283R97.8Very high97Very high109 Ų10945.5 Ų45.541%0.41123%0.229SC..EExtended strand (participates in β ladder)trans-66135.3169.3-73.4148.6-175.470.54.9108.8D258 K259 I260 E506D258-R283 PolarHBondContact O-N 3.01Å; K259-R283 CarbonylContact C-O 3.58Å; K259-R283 WeakPolarHBondContact CA-O 3.19Å; K259-R283 HydrophobicContact CB-CB 4.16Å; K259-R283 HydrophobicContact CG-CB 4.26Å; I260-R283 PolarHBondContact N-O 3.39Å; R283-E506 IonicContact CZ-OE1 2.82Å; R283-E506 IonicContact CZ-OE2 3.21Å; R283-E506 IonicContact NE-OE2 2.68Å; R283-E506 PolarHBondContact NE-OE2 2.77Å; R283-E506 IonicContact NH1-OE2 2.87Å; R283-E506 IonicContact NH2-OE1 3.26Å; R283-E506 PolarHBondContact NH2-OE1 2.9Å; R283-E506 IonicContact NH2-OE2 3.49Å; R283-E506 PolarHBondContact NH2-OE2 3.06Å
284I97.8Very high97.1Very high57 Ų5744.7 Ų44.729%0.29222%0.221SC..EExtended strand (participates in β ladder)trans-123.7141.6179.462.4174.8000111.1I260 A276 K282 L286I260-I284 HydrophobicContact CB-CG2 4.49Å; I260-I284 WeakPolarHBondContact O-CA 3.31Å; A276-I284 HydrophobicContact CB-CG2 3.45Å; A276-I284 VanDerWaalsContact CB-CG2 3.45Å; K282-I284 PolarHBondContact O-N 3.37Å; I284-L286 HydrophobicContact CD1-CD1 4.36Å
285T98.7Very high97.2Very high3 Ų338.8 Ų38.82%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-129.1131.1162.7-53.90000106.5K259 I260 A261 F262 V492K259-T285 PolarHBondContact NZ-OG1 2.96Å; I260-T285 PolarHBondContact O-N 2.91Å; A261-T285 WeakPolarHBondContact CA-O 3.36Å; F262-T285 PolarHBondContact N-O 3.5Å; T285-V492 WeakPolarHBondContact CA-O 3.29Å; T285-V492 WeakPolarHBondContact CG2-O 3.09Å
286L98.7Very high97.2Very high12 Ų1237 Ų376%0.06318%0.184CC..EExtended strand (participates in β ladder)trans-125.7122.5-176.1-57.8179000108.4F262 I272 I284 L288 G491 V492F262-L286 HydrophobicContact CB-CD2 3.96Å; F262-L286 HydrophobicContact CD1-CD2 4.19Å; F262-L286 WeakPolarHBondContact O-CA 3.43Å; I272-L286 HydrophobicContact CG2-CD2 4.16Å; I284-L286 HydrophobicContact CD1-CD1 4.36Å; L286-L288 HydrophobicContact CB-CD1 4.08Å; L286-L288 HydrophobicContact CB-CD2 4.11Å; L286-L288 HydrophobicContact CB-CG 3.99Å; L286-L288 HydrophobicContact CD1-CD1 4.38Å; L286-G491 CarbonylContact O-C 3.58Å; L286-G491 WeakPolarHBondContact O-CA 3.45Å; L286-V492 PolarHBondContact N-O 3.17Å; L286-V492 PolarHBondContact O-N 3.31Å
287E98.8Very high97.4Very high7 Ų737.1 Ų37.13%0.03318%0.184CC..EExtended strand (participates in β ladder)trans-113.2106.5170.5-74.2-60.5149.100108.3F262 T263 G264 G485 E495F262-E287 PolarHBondContact O-N 3.44Å; T263-E287 WeakPolarHBondContact CA-O 3.47Å; T263-E287 HydrophobicContact CG2-CB 3.92Å; T263-E287 WeakPolarHBondContact CG2-O 3.38Å; T263-E287 WeakPolarHBondContact OG1-CB 3.27Å; G264-E287 PolarHBondContact N-O 3.38Å; E287-G485 WeakPolarHBondContact OE1-CA 3.38Å; E287-G485 WeakPolarHBondContact OE2-CA 3.44Å; E287-E495 HydrophobicContact CG-CG 3.88Å
288L98.7Very high97.5Very high10 Ų1031.5 Ų31.55%0.05217%0.169CC..  trans-116.2-178.5-164.4-51.9176.6000111.9F262 G264 L286 F489 S490F262-L288 HydrophobicContact CD1-CD2 3.67Å; F262-L288 HydrophobicContact CE1-CD2 3.55Å; G264-L288 VanDerWaalsContact O-CA 3.29Å; G264-L288 WeakPolarHBondContact O-CA 3.07Å; L286-L288 HydrophobicContact CB-CD1 4.08Å; L286-L288 HydrophobicContact CB-CD2 4.11Å; L286-L288 HydrophobicContact CB-CG 3.99Å; L286-L288 HydrophobicContact CD1-CD1 4.38Å; L288-F489 WeakPolarHBondContact CB-O 3.46Å; L288-F489 VanDerWaalsContact CD1-O 3.28Å; L288-F489 WeakPolarHBondContact CD1-O 3.48Å; L288-S490 WeakPolarHBondContact CA-O 3.45Å; L288-S490 PolarHBondContact N-O 3.38Å
289G97.9Very high97.6Very high2 Ų226.4 Ų26.42%0.02115%0.149CC..  trans-61.5170.2179.100000115.1G264 E418 Y444 S490G264-G289 PolarHBondContact O-N 3.49Å; G289-E418 WeakPolarHBondContact CA-OE1 3.38Å; G289-E418 VanDerWaalsContact CA-OE2 3.23Å; G289-E418 WeakPolarHBondContact CA-OE2 3.49Å; G289-Y444 VanDerWaalsContact O-CD1 3.26Å; G289-Y444 WeakPolarHBondContact O-CD1 3.42Å; G289-S490 WeakPolarHBondContact O-CA 3.14Å; G289-S490 WeakPolarHBondContact O-CB 3.42Å; G289-S490 PolarHBondContact O-OG 2.92Å
290G98.4Very high97.8Very high2 Ų223.2 Ų23.22%0.02114%0.138CC..  trans-144.3167.2-177.500000114.8C321 E418G290-C321 WeakPolarHBondContact CA-O 3.41Å; G290-C321 PolarHBondContact N-O 3.04Å; G290-E418 PolarHBondContact N-OE1 3.38Å
291K98.7Very high98.2Very high3 Ų323.4 Ų23.41%0.01313%0.126CC..  trans-140.556.2168.2-161.974.8-171.4178.90110S325 R326 I414 A415 E417 Y444K291-S325 WeakPolarHBondContact CD-OG 3.4Å; K291-S325 VanDerWaalsContact CE-O 3.27Å; K291-S325 WeakPolarHBondContact CE-O 3.37Å; K291-R326 HydrophobicContact CG-CG 3.94Å; K291-R326 PolarHBondContact O-NE 3.48Å; K291-R326 PolarHBondContact O-NH2 3.27Å; K291-R326 VanDerWaalsContact O-NH2 3.12Å; K291-I414 VanDerWaalsContact CE-O 3.23Å; K291-I414 WeakPolarHBondContact CE-O 3.33Å; K291-I414 PolarHBondContact NZ-O 3.03Å; K291-A415 VanDerWaalsContact CE-O 3.26Å; K291-A415 WeakPolarHBondContact CE-O 3.45Å; K291-A415 WeakPolarHBondContact CG-O 3.33Å; K291-E417 VanDerWaalsContact CD-O 3.29Å; K291-E417 WeakPolarHBondContact CD-O 3.44Å; K291-E417 WeakPolarHBondContact CE-O 3.4Å; K291-E417 PolarHBondContact NZ-O 2.73Å; K291-Y444 HydrophobicContact CB-CD2 3.53Å; K291-Y444 HydrophobicContact CB-CE2 4.17Å; K291-Y444 HydrophobicContact CB-CG 4.25Å
292S98.8Very high98.3Very high2 Ų220.3 Ų20.31%0.01411%0.105CC..  trans-62.7128.3-165.4-57.20000111.9C322 S325 R326 A447 Y475S292-C322 WeakPolarHBondContact CB-O 3.46Å; S292-C322 PolarHBondContact OG-O 3.43Å; S292-S325 PolarHBondContact O-N 3.02Å; S292-R326 PolarHBondContact O-N 2.93Å; S292-A447 VanDerWaalsContact CB-O 3.24Å; S292-A447 WeakPolarHBondContact CB-O 3.43Å; S292-A447 PolarHBondContact OG-N 3.45Å; S292-A447 PolarHBondContact OG-O 3.34Å; S292-Y475 WeakPolarHBondContact CB-OH 3.23Å
293P98.8Very high98.4Very high8 Ų825.1 Ų25.15%0.05213%0.132CC..EExtended strand (participates in β ladder)trans-79.5137.8175.231.6-31.8000111.3R326 F328 A439 A447 A448 G449P293-R326 CarbonylContact C-O 3.57Å; P293-R326 VanDerWaalsContact CA-O 3.27Å; P293-R326 WeakPolarHBondContact CA-O 3.4Å; P293-F328 HydrophobicContact CB-CD2 3.95Å; P293-F328 HydrophobicContact CB-CE2 3.81Å; P293-A439 HydrophobicContact CB-CB 4.09Å; P293-A439 HydrophobicContact CG-CB 4.09Å; P293-A447 WeakPolarHBondContact CD-O 3.47Å; P293-A448 HydrophobicContact CG-CB 3.82Å; P293-A448 CarbonylContact O-C 3.4Å; P293-A448 WeakPolarHBondContact O-CA 3.45Å; P293-A448 WeakPolarHBondContact O-CB 3.2Å; P293-G449 PolarHBondContact O-N 2.95Å
294L98.8Very high98.4Very high0 Ų025.9 Ų25.90%014%0.135CC..EExtended strand (participates in β ladder)trans-116.5121.8166.8173.157.8000108.7I296 S309 R326 I327 F328 F451 Y475L294-I296 HydrophobicContact CD1-CD1 3.93Å; L294-I296 HydrophobicContact CD2-CD1 4.22Å; L294-I296 HydrophobicContact CG-CD1 3.74Å; L294-S309 WeakPolarHBondContact CD2-OG 3.04Å; L294-R326 PolarHBondContact N-O 3.49Å; L294-I327 HydrophobicContact CB-CG1 4.38Å; L294-I327 HydrophobicContact CG-CG2 4.48Å; L294-I327 CarbonylContact O-C 3.57Å; L294-I327 VanDerWaalsContact O-CA 3.32Å; L294-I327 WeakPolarHBondContact O-CA 3.4Å; L294-F328 PolarHBondContact O-N 2.91Å; L294-F451 HydrophobicContact CD1-CD2 3.62Å; L294-F451 HydrophobicContact CD1-CE2 3.66Å; L294-Y475 HydrophobicContact CB-CE2 4.16Å; L294-Y475 HydrophobicContact CD1-CD2 3.82Å; L294-Y475 HydrophobicContact CD1-CE2 4.1Å; L294-Y475 HydrophobicContact CD2-CD2 4.34Å; L294-Y475 HydrophobicContact CG-CD2 4.5Å
295I98.8Very high98.4Very high0 Ų023.2 Ų23.20%012%0.121CC..EExtended strand (participates in β ladder)trans-109.7120.2-168.8-58.6175.9000108.9F297 F328 F429 L435 A439 G449 I450 F451 V461 L465I295-F297 HydrophobicContact CG2-CD2 3.99Å; I295-F297 HydrophobicContact CG2-CE2 3.49Å; I295-F297 VanDerWaalsContact CG2-CE2 3.49Å; I295-F297 HydrophobicContact CG2-CZ 3.89Å; I295-F328 CarbonylContact C-O 3.53Å; I295-F328 WeakPolarHBondContact CA-O 3.37Å; I295-F429 HydrophobicContact CG2-CE1 4.38Å; I295-F429 HydrophobicContact CG2-CZ 4.4Å; I295-L435 HydrophobicContact CD1-CD1 4.06Å; I295-L435 HydrophobicContact CD1-CD2 4.18Å; I295-L435 HydrophobicContact CD1-CG 4.19Å; I295-L435 HydrophobicContact CG1-CD1 4Å; I295-L435 HydrophobicContact CG2-CD1 4.01Å; I295-L435 HydrophobicContact CG2-CD2 3.48Å; I295-L435 VanDerWaalsContact CG2-CD2 3.48Å; I295-L435 HydrophobicContact CG2-CG 4.28Å; I295-A439 HydrophobicContact CD1-CB 4.48Å; I295-G449 PolarHBondContact N-O 3.47Å; I295-I450 CarbonylContact O-C 3.27Å; I295-I450 WeakPolarHBondContact O-CA 3.25Å; I295-F451 PolarHBondContact O-N 3.13Å; I295-V461 HydrophobicContact CD1-CG1 3.63Å; I295-L465 HydrophobicContact CD1-CD1 4.21Å; I295-L465 HydrophobicContact CD1-CD2 4.19Å
296I98.8Very high98.4Very high1 Ų123.7 Ų23.71%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-115.4105.6-177.3-46.7-55.2000109.5L294 A305 I327 F328 V329 E330 I333 F337 F451L294-I296 HydrophobicContact CD1-CD1 3.93Å; L294-I296 HydrophobicContact CD2-CD1 4.22Å; L294-I296 HydrophobicContact CG-CD1 3.74Å; I296-A305 HydrophobicContact CD1-CB 3.95Å; I296-A305 HydrophobicContact CG2-CB 3.71Å; I296-I327 HydrophobicContact CG1-CG2 4.04Å; I296-F328 PolarHBondContact N-O 2.94Å; I296-V329 HydrophobicContact CB-CG1 4.44Å; I296-V329 HydrophobicContact CB-CG2 4.24Å; I296-V329 HydrophobicContact CG1-CG2 4.22Å; I296-E330 PolarHBondContact O-N 2.74Å; I296-I333 HydrophobicContact CG2-CD1 3.95Å; I296-F337 HydrophobicContact CB-CE2 4.42Å; I296-F337 HydrophobicContact CG1-CE2 3.92Å; I296-F337 HydrophobicContact CG1-CZ 4.09Å; I296-F337 HydrophobicContact CG2-CD2 4.25Å; I296-F337 HydrophobicContact CG2-CE2 4.03Å; I296-F451 HydrophobicContact CD1-CB 3.86Å; I296-F451 HydrophobicContact CD1-CD2 3.71Å; I296-F451 HydrophobicContact CD1-CG 3.94Å
297F98.7Very high98.3Very high3 Ų325.1 Ų25.11%0.01314%0.137CC..  trans-83.1150.3171.7-69.4-79.8000111.3I295 D299 G300 F429 L432 L435 I450 F451 T452 K457 V461I295-F297 HydrophobicContact CG2-CD2 3.99Å; I295-F297 HydrophobicContact CG2-CE2 3.49Å; I295-F297 VanDerWaalsContact CG2-CE2 3.49Å; I295-F297 HydrophobicContact CG2-CZ 3.89Å; F297-D299 VanDerWaalsContact CB-OD1 3.28Å; F297-D299 WeakPolarHBondContact CB-OD1 3.45Å; F297-D299 PolarHBondContact O-N 3.3Å; F297-G300 PolarHBondContact O-N 2.92Å; F297-F429 HydrophobicContact CD1-CE2 4.14Å; F297-F429 AromaticContact CD1-CZ 3.77Å; F297-F429 HydrophobicContact CD1-CZ 3.77Å; F297-F429 AromaticContact CE1-CE2 3.76Å; F297-F429 HydrophobicContact CE1-CE2 3.76Å; F297-F429 AromaticContact CE1-CZ 3.69Å; F297-F429 HydrophobicContact CE1-CZ 3.69Å; F297-F429 HydrophobicContact CG-CZ 4.44Å; F297-F429 HydrophobicContact CZ-CZ 4.33Å; F297-L432 HydrophobicContact CE1-CD2 3.46Å; F297-L432 VanDerWaalsContact CE1-CD2 3.46Å; F297-L432 HydrophobicContact CZ-CD2 3.39Å; F297-L435 HydrophobicContact CE1-CD2 4.12Å; F297-L435 HydrophobicContact CE2-CD2 4.4Å; F297-L435 HydrophobicContact CZ-CD2 3.6Å; F297-I450 HydrophobicContact CD2-CG2 4.24Å; F297-I450 HydrophobicContact CE2-CG2 3.98Å; F297-F451 WeakPolarHBondContact CB-O 3.39Å; F297-F451 PolarHBondContact N-O 2.83Å; F297-T452 HydrophobicContact CD2-CG2 4.29Å; F297-K457 HydrophobicContact CD1-CD 4.05Å; F297-K457 HydrophobicContact CE1-CD 4.21Å; F297-K457 HydrophobicContact CG-CD 4.31Å; F297-V461 HydrophobicContact CE2-CG2 4.2Å; F297-V461 HydrophobicContact CZ-CG2 3.93Å
298S98.3Very high98.3Very high48 Ų4825.4 Ų25.434%0.33614%0.14SC..THydrogen-bonded Turntrans-63-22.6178.359.30000114.2E330 S332S298-E330 WeakPolarHBondContact CB-OE2 3.39Å; S298-E330 PolarHBondContact N-OE2 3.41Å; S298-E330 VanDerWaalsContact OG-CD 3.27Å; S298-E330 PolarHBondContact OG-OE2 3.28Å; S298-S332 WeakPolarHBondContact CB-OG 3.22Å
299D98.2Very high98.3Very high49 Ų4925 Ų2526%0.26214%0.138SC..THydrogen-bonded Turntrans-88.6-5175.163.811.1000113.5F297 T452 N453 N454 K457F297-D299 VanDerWaalsContact CB-OD1 3.28Å; F297-D299 WeakPolarHBondContact CB-OD1 3.45Å; F297-D299 PolarHBondContact O-N 3.3Å; D299-T452 VanDerWaalsContact CG-OG1 3.29Å; D299-T452 WeakPolarHBondContact OD1-CA 3.29Å; D299-T452 WeakPolarHBondContact OD1-CB 3.46Å; D299-T452 PolarHBondContact OD1-OG1 3.22Å; D299-T452 PolarHBondContact OD2-OG1 3.27Å; D299-N453 VanDerWaalsContact O-CB 3.3Å; D299-N453 WeakPolarHBondContact O-CB 3.15Å; D299-N453 VanDerWaalsContact O-CG 3.31Å; D299-N453 PolarHBondContact O-N 3.08Å; D299-N453 PolarHBondContact O-ND2 3.22Å; D299-N454 WeakPolarHBondContact OD2-CB 3.29Å; D299-K457 IonicContact OD2-NZ 2.65Å; D299-K457 PolarHBondContact OD2-NZ 2.92Å
300G97.6Very high98.3Very high11 Ų1125.7 Ų25.711%0.11314%0.141CC..SBendtrans-72.8161.7175.200000112.6F297 F302F297-G300 PolarHBondContact O-N 2.92Å; G300-F302 PolarHBondContact O-N 3.23Å
301D98Very high98.3Very high55 Ų5528.1 Ų28.129%0.29415%0.151SC..  trans-64.5107.7169-178.3-32000109.6D303 R304 A305D301-D303 PolarHBondContact OD1-N 3.28Å; D301-R304 HydrophobicContact CB-CB 3.84Å; D301-R304 VanDerWaalsContact CG-CB 3.43Å; D301-R304 PolarHBondContact O-N 3.04Å; D301-R304 WeakPolarHBondContact OD1-CB 3.48Å; D301-R304 PolarHBondContact OD1-N 3.36Å; D301-A305 VanDerWaalsContact O-CB 3.24Å; D301-A305 WeakPolarHBondContact O-CB 3.27Å; D301-A305 PolarHBondContact O-N 3.4Å
302F98.2Very high98.3Very high31 Ų3128 Ų2814%0.13615%0.151CC..Hα-helixtrans-62.9-44.7-174.1-175.9-90.6000112.7G300 A305 I306 I333 K336 F337 Y340G300-F302 PolarHBondContact O-N 3.23Å; F302-A305 WeakPolarHBondContact O-CB 3.33Å; F302-A305 PolarHBondContact O-N 2.94Å; F302-I306 HydrophobicContact CD1-CG1 4.23Å; F302-I306 HydrophobicContact CE1-CD1 4.4Å; F302-I306 HydrophobicContact CE1-CG1 3.85Å; F302-I306 HydrophobicContact CZ-CD1 4.27Å; F302-I306 HydrophobicContact CZ-CG1 4.16Å; F302-I306 WeakPolarHBondContact O-CG1 3.35Å; F302-I306 PolarHBondContact O-N 3.49Å; F302-I333 HydrophobicContact CD2-CD1 4.26Å; F302-K336 HydrophobicContact CE1-CD 4.28Å; F302-K336 HydrophobicContact CE1-CG 4.37Å; F302-K336 HydrophobicContact CE2-CB 4.48Å; F302-K336 HydrophobicContact CE2-CD 4.16Å; F302-K336 HydrophobicContact CE2-CG 4.27Å; F302-K336 HydrophobicContact CZ-CB 4.28Å; F302-K336 HydrophobicContact CZ-CD 3.87Å; F302-K336 HydrophobicContact CZ-CG 3.74Å; F302-F337 HydrophobicContact CE2-CB 4.08Å; F302-F337 HydrophobicContact CE2-CD2 4.12Å; F302-F337 HydrophobicContact CZ-CB 4.36Å; F302-Y340 AromaticContact CE1-CD1 3.84Å; F302-Y340 HydrophobicContact CE1-CD1 3.84Å; F302-Y340 HydrophobicContact CE1-CD2 4.43Å; F302-Y340 HydrophobicContact CE1-CE1 4.3Å; F302-Y340 AromaticContact CE1-CG 3.91Å; F302-Y340 HydrophobicContact CE1-CG 3.91Å; F302-Y340 HydrophobicContact CZ-CG 4.27Å
303D97.7Very high98.3Very high115 Ų11528 Ų2862%0.61515%0.151SC*.Hα-helixtrans-68.7-40-177.6-68.1-27000110.4D301 I306 A307D301-D303 PolarHBondContact OD1-N 3.28Å; D303-I306 PolarHBondContact O-N 3.1Å; D303-A307 WeakPolarHBondContact O-CB 3.06Å; D303-A307 PolarHBondContact O-N 3.09Å
304R97.7Very high98.3Very high125 Ų12527.7 Ų27.747%0.47215%0.148SC..Hα-helixtrans-66.3-39.3175-164.2-175.4172.4148.9-4.2111.8D301 A307 A308 F451 N473D301-R304 HydrophobicContact CB-CB 3.84Å; D301-R304 VanDerWaalsContact CG-CB 3.43Å; D301-R304 PolarHBondContact O-N 3.04Å; D301-R304 WeakPolarHBondContact OD1-CB 3.48Å; D301-R304 PolarHBondContact OD1-N 3.36Å; R304-A307 PolarHBondContact O-N 3.46Å; R304-A308 VanDerWaalsContact O-CB 3.28Å; R304-A308 WeakPolarHBondContact O-CB 3.33Å; R304-A308 PolarHBondContact O-N 3.41Å; R304-F451 HydrophobicContact CB-CE1 4.46Å; R304-F451 HydrophobicContact CG-CE1 4.03Å; R304-N473 PolarHBondContact NE-O 2.94Å; R304-N473 PolarHBondContact NH2-O 3.07Å
305A98.2Very high98.2Very high0 Ų028.6 Ų28.60%015%0.152CC..Hα-helixtrans-62.1-45.4175.100000112I296 D301 F302 S309 F337 F451I296-A305 HydrophobicContact CD1-CB 3.95Å; I296-A305 HydrophobicContact CG2-CB 3.71Å; D301-A305 VanDerWaalsContact O-CB 3.24Å; D301-A305 WeakPolarHBondContact O-CB 3.27Å; D301-A305 PolarHBondContact O-N 3.4Å; F302-A305 WeakPolarHBondContact O-CB 3.33Å; F302-A305 PolarHBondContact O-N 2.94Å; A305-S309 WeakPolarHBondContact O-CB 3.4Å; A305-S309 PolarHBondContact O-N 3.41Å; A305-S309 PolarHBondContact O-OG 3.29Å; A305-F337 HydrophobicContact CB-CE2 4.42Å; A305-F451 HydrophobicContact CB-CB 4.16Å; A305-F451 HydrophobicContact CB-CD1 3.86Å; A305-F451 HydrophobicContact CB-CG 4.01Å
306I98.3Very high98.2Very high13 Ų1328.7 Ų28.77%0.06715%0.153CC..Hα-helixtrans-58.9-53173.3-69.2-71.5000110F302 D303 A308 S309 H310 F337 S341F302-I306 HydrophobicContact CD1-CG1 4.23Å; F302-I306 HydrophobicContact CE1-CD1 4.4Å; F302-I306 HydrophobicContact CE1-CG1 3.85Å; F302-I306 HydrophobicContact CZ-CD1 4.27Å; F302-I306 HydrophobicContact CZ-CG1 4.16Å; F302-I306 WeakPolarHBondContact O-CG1 3.35Å; F302-I306 PolarHBondContact O-N 3.49Å; D303-I306 PolarHBondContact O-N 3.1Å; I306-A308 VanDerWaalsContact C-N 3.34Å; I306-A308 PolarHBondContact O-N 3.27Å; I306-S309 WeakPolarHBondContact O-CB 3.38Å; I306-S309 PolarHBondContact O-N 3.3Å; I306-H310 PolarHBondContact O-CD2 3.4Å; I306-H310 PolarHBondContact O-N 3.05Å; I306-F337 HydrophobicContact CD1-CD1 4.25Å; I306-F337 HydrophobicContact CD1-CD2 3.5Å; I306-F337 HydrophobicContact CD1-CE1 4.29Å; I306-F337 HydrophobicContact CD1-CE2 3.54Å; I306-F337 HydrophobicContact CD1-CG 3.89Å; I306-F337 HydrophobicContact CD1-CZ 3.95Å; I306-F337 HydrophobicContact CG1-CD2 4.22Å; I306-F337 HydrophobicContact CG1-CE2 4.14Å; I306-S341 WeakPolarHBondContact CD1-OG 3.49Å
307A97.5Very high98.2Very high43 Ų4328.7 Ų28.736%0.35515%0.153SC..Hα-helixtrans-58.7-44.4-177.800000112.6D303 R304 H310 F311D303-A307 WeakPolarHBondContact O-CB 3.06Å; D303-A307 PolarHBondContact O-N 3.09Å; R304-A307 PolarHBondContact O-N 3.46Å; A307-H310 PolarHBondContact O-N 2.92Å; A307-F311 WeakPolarHBondContact O-CB 3.43Å; A307-F311 PolarHBondContact O-N 2.72Å
308A97.9Very high98.2Very high13 Ų1328.6 Ų28.611%0.10715%0.153CC..Hα-helixtrans-69.4-34.3178.400000113R304 I306 G312 F451R304-A308 VanDerWaalsContact O-CB 3.28Å; R304-A308 WeakPolarHBondContact O-CB 3.33Å; R304-A308 PolarHBondContact O-N 3.41Å; I306-A308 VanDerWaalsContact C-N 3.34Å; I306-A308 PolarHBondContact O-N 3.27Å; A308-G312 WeakPolarHBondContact O-CA 3.47Å; A308-G312 PolarHBondContact O-N 3.5Å; A308-F451 HydrophobicContact CB-CE1 3.86Å; A308-F451 HydrophobicContact CB-CE2 3.78Å; A308-F451 HydrophobicContact CB-CZ 3.14Å
309S98.6Very high98.2Very high0 Ų026.3 Ų26.30%014%0.137CC..Hα-helixtrans-65.8-40.7175.2-640000112L294 A305 I306 L313 S324 F337 M424L294-S309 WeakPolarHBondContact CD2-OG 3.04Å; A305-S309 WeakPolarHBondContact O-CB 3.4Å; A305-S309 PolarHBondContact O-N 3.41Å; A305-S309 PolarHBondContact O-OG 3.29Å; I306-S309 WeakPolarHBondContact O-CB 3.38Å; I306-S309 PolarHBondContact O-N 3.3Å; S309-L313 PolarHBondContact O-N 2.83Å; S309-S324 PolarHBondContact O-OG 3.42Å; S309-F337 WeakPolarHBondContact OG-CZ 3.43Å; S309-M424 WeakPolarHBondContact O-CE 3.21Å
310H98.6Very high98.3Very high17 Ų1724.2 Ų24.28%0.07913%0.126CC..Hα-helixtrans-68.5-45.5175.8-83-99.6000111.9I306 A307 F314 S341 A345I306-H310 PolarHBondContact O-CD2 3.4Å; I306-H310 PolarHBondContact O-N 3.05Å; A307-H310 PolarHBondContact O-N 2.92Å; H310-F314 HydrophobicContact CB-CD2 4.34Å; H310-F314 AromaticContact CE1-CE2 3.89Å; H310-F314 AromaticContact ND1-CD2 3.84Å; H310-F314 AromaticContact ND1-CE2 3.67Å; H310-F314 WeakPolarHBondContact O-CB 3.45Å; H310-F314 WeakPolarHBondContact O-CD2 3.02Å; H310-F314 PolarHBondContact O-N 3.09Å; H310-S341 PolarHBondContact CE1-O 3.05Å; H310-S341 WeakPolarHBondContact NE2-CA 3.45Å; H310-S341 WeakPolarHBondContact NE2-CB 3.23Å; H310-S341 PolarHBondContact NE2-O 3.19Å; H310-S341 PolarHBondContact NE2-OG 3.31Å; H310-A345 PolarHBondContact CE1-N 2.72Å
311F97.9Very high98.3Very high53 Ų5325.2 Ų25.223%0.23213%0.131CC..Hα-helixtrans-62.8-55.3176.2-174.9-100.8000110.9A307 L313 F314 F315 D476A307-F311 WeakPolarHBondContact O-CB 3.43Å; A307-F311 PolarHBondContact O-N 2.72Å; F311-L313 PolarHBondContact O-N 2.93Å; F311-F314 PolarHBondContact O-N 3.38Å; F311-F315 HydrophobicContact CD2-CB 4.33Å; F311-F315 HydrophobicContact CE1-CG 4.35Å; F311-F315 HydrophobicContact CE2-CB 4.18Å; F311-F315 AromaticContact CE2-CD2 3.68Å; F311-F315 HydrophobicContact CE2-CD2 3.68Å; F311-F315 HydrophobicContact CE2-CE2 4.32Å; F311-F315 HydrophobicContact CE2-CG 4Å; F311-F315 HydrophobicContact CZ-CB 4.27Å; F311-F315 HydrophobicContact CZ-CD1 4.26Å; F311-F315 AromaticContact CZ-CD2 3.78Å; F311-F315 HydrophobicContact CZ-CD2 3.78Å; F311-F315 HydrophobicContact CZ-CE2 4.19Å; F311-F315 AromaticContact CZ-CG 3.84Å; F311-F315 HydrophobicContact CZ-CG 3.84Å; F311-F315 WeakPolarHBondContact O-CB 3.03Å; F311-F315 PolarHBondContact O-N 2.89Å; F311-D476 HydrophobicContact CD1-CB 4.17Å; F311-D476 HydrophobicContact CE1-CB 3.71Å
312G98.2Very high98.3Very high1 Ų122.8 Ų22.81%0.0112%0.118CC..Hα-helixtrans-60.5-20.5-175.100000114.9A308 A323 S324 Y475A308-G312 WeakPolarHBondContact O-CA 3.47Å; A308-G312 PolarHBondContact O-N 3.5Å; G312-A323 CarbonylContact O-C 3.52Å; G312-A323 VanDerWaalsContact O-CA 3.23Å; G312-A323 WeakPolarHBondContact O-CA 3.24Å; G312-S324 PolarHBondContact O-N 3.37Å; G312-S324 PolarHBondContact O-OG 3.39Å; G312-Y475 VanDerWaalsContact CA-CD1 3.4Å
313L98.8Very high98.3Very high3 Ų321.7 Ų21.72%0.01612%0.115CC..Hα-helixtrans-100.1-52.4172.2-177.684000113S309 F311 F315 G318 S324 M424S309-L313 PolarHBondContact O-N 2.83Å; F311-L313 PolarHBondContact O-N 2.93Å; L313-F315 VanDerWaalsContact C-N 3.34Å; L313-G318 WeakPolarHBondContact O-CA 3.39Å; L313-S324 PolarHBondContact N-OG 3.47Å; L313-S324 VanDerWaalsContact N-OG 3.12Å; L313-M424 HydrophobicContact CB-CE 4.12Å; L313-M424 HydrophobicContact CD2-CB 3.13Å; L313-M424 HydrophobicContact CD2-CE 3.76Å; L313-M424 HydrophobicContact CD2-CG 3.61Å; L313-M424 HydrophobicContact CD2-SD 4.45Å
314F98.7Very high98.4Very high1 Ų116.2 Ų16.20%0.0049%0.085CC..Hα-helixtrans-85.2-9.4-168.4-63.2-71.8000113.4H310 F311 Q317 A345 R348 P402 V404 P422 M424H310-F314 HydrophobicContact CB-CD2 4.34Å; H310-F314 AromaticContact CE1-CE2 3.89Å; H310-F314 AromaticContact ND1-CD2 3.84Å; H310-F314 AromaticContact ND1-CE2 3.67Å; H310-F314 WeakPolarHBondContact O-CB 3.45Å; H310-F314 WeakPolarHBondContact O-CD2 3.02Å; H310-F314 PolarHBondContact O-N 3.09Å; F311-F314 PolarHBondContact O-N 3.38Å; F314-Q317 PolarHBondContact O-N 3.41Å; F314-A345 HydrophobicContact CE2-CB 4.34Å; F314-A345 HydrophobicContact CZ-CB 4.2Å; F314-R348 PolarHBondContact O-NH2 2.65Å; F314-P402 HydrophobicContact CD1-CB 4.19Å; F314-P402 HydrophobicContact CE1-CB 3.75Å; F314-P402 HydrophobicContact CZ-CB 4.18Å; F314-V404 HydrophobicContact CZ-CG2 4.18Å; F314-P422 HydrophobicContact CD1-CB 3.77Å; F314-P422 HydrophobicContact CE1-CB 4.12Å; F314-P422 WeakPolarHBondContact CE1-O 3.34Å; F314-M424 HydrophobicContact CD2-CE 4.17Å; F314-M424 HydrophobicContact CE2-CE 3.54Å; F314-M424 HydrophobicContact CE2-SD 4.34Å; F314-M424 HydrophobicContact CZ-CB 4.09Å; F314-M424 HydrophobicContact CZ-CE 4.27Å
315F98.4Very high98.4Very high19 Ų1910.8 Ų10.88%0.0837%0.067CC..G310 helixtrans-53.4139.4173.6177.5-122.9000110.7I139 F189 F311 L313 Q317 G318 C320I139-F315 HydrophobicContact CD1-CE2 3.79Å; I139-F315 HydrophobicContact CD1-CZ 4.39Å; I139-F315 HydrophobicContact CG2-CE2 4.44Å; I139-F315 HydrophobicContact CG2-CZ 4Å; F189-F315 AromaticContact CE1-CE1 3.67Å; F189-F315 HydrophobicContact CE1-CE1 3.67Å; F189-F315 AromaticContact CE1-CZ 3.79Å; F189-F315 HydrophobicContact CE1-CZ 3.79Å; F189-F315 HydrophobicContact CZ-CD1 4.25Å; F189-F315 AromaticContact CZ-CE1 3.57Å; F189-F315 HydrophobicContact CZ-CE1 3.57Å; F189-F315 HydrophobicContact CZ-CZ 4.16Å; F311-F315 HydrophobicContact CD2-CB 4.33Å; F311-F315 HydrophobicContact CE1-CG 4.35Å; F311-F315 HydrophobicContact CE2-CB 4.18Å; F311-F315 AromaticContact CE2-CD2 3.68Å; F311-F315 HydrophobicContact CE2-CD2 3.68Å; F311-F315 HydrophobicContact CE2-CE2 4.32Å; F311-F315 HydrophobicContact CE2-CG 4Å; F311-F315 HydrophobicContact CZ-CB 4.27Å; F311-F315 HydrophobicContact CZ-CD1 4.26Å; F311-F315 AromaticContact CZ-CD2 3.78Å; F311-F315 HydrophobicContact CZ-CD2 3.78Å; F311-F315 HydrophobicContact CZ-CE2 4.19Å; F311-F315 AromaticContact CZ-CG 3.84Å; F311-F315 HydrophobicContact CZ-CG 3.84Å; F311-F315 WeakPolarHBondContact O-CB 3.03Å; F311-F315 PolarHBondContact O-N 2.89Å; L313-F315 VanDerWaalsContact C-N 3.34Å; F315-Q317 PolarHBondContact O-N 3.06Å; F315-G318 PolarHBondContact O-N 3.21Å; F315-C320 VanDerWaalsContact CD1-SG 3.55Å; F315-C320 PolarHBondContact O-SG 3.32Å
316N98.6Very high98.4Very high2 Ų211 Ų111%0.0117%0.068CC..G310 helixtrans50.740.2-176.4-162.241.2000113.9K131 N188 F189 G318 Q319K131-N316 WeakPolarHBondContact CE-OD1 3.2Å; N188-N316 PolarHBondContact O-ND2 3.33Å; F189-N316 HydrophobicContact CE1-CB 4.06Å; F189-N316 HydrophobicContact CZ-CB 3.69Å; F189-N316 WeakPolarHBondContact CZ-ND2 3.35Å; N316-G318 PolarHBondContact O-N 3.03Å; N316-Q319 PolarHBondContact ND2-O 3.07Å; N316-Q319 VanDerWaalsContact ND2-O 3.12Å; N316-Q319 WeakPolarHBondContact O-CB 3.45Å; N316-Q319 WeakPolarHBondContact O-CG 3.45Å; N316-Q319 PolarHBondContact O-N 3.47Å; N316-Q319 PolarHBondContact O-NE2 3.03Å
317Q98.7Very high98.5Very high0 Ų010.4 Ų10.40%07%0.065CC..G310 helixtrans58.525.6-175.6-61.270.1-112.300114.1F314 F315 Q319 Q360 G361 P362 Q363 G421 P422F314-Q317 PolarHBondContact O-N 3.41Å; F315-Q317 PolarHBondContact O-N 3.06Å; Q317-Q319 HydrophobicContact CB-CG 4.24Å; Q317-Q319 PolarHBondContact O-N 3.05Å; Q317-Q360 HydrophobicContact CB-CG 4.42Å; Q317-Q360 HydrophobicContact CG-CG 3.74Å; Q317-G361 WeakPolarHBondContact CG-O 3.35Å; Q317-P362 WeakPolarHBondContact CG-O 3.22Å; Q317-Q363 PolarHBondContact O-NE2 3.32Å; Q317-G421 CarbonylContact O-C 3.57Å; Q317-G421 VanDerWaalsContact O-CA 3.31Å; Q317-G421 WeakPolarHBondContact O-CA 3.24Å; Q317-P422 VanDerWaalsContact O-CD 3.28Å; Q317-P422 WeakPolarHBondContact O-CD 3.44Å
318G98.6Very high98.5Very high2 Ų28.4 Ų8.42%0.0215%0.048CC..G310 helixtrans73.811.6-173.200000114.9L313 F315 N316 C320 F420 G421L313-G318 WeakPolarHBondContact O-CA 3.39Å; F315-G318 PolarHBondContact O-N 3.21Å; N316-G318 PolarHBondContact O-N 3.03Å; G318-C320 PolarHBondContact O-N 3.49Å; G318-C320 VanDerWaalsContact O-N 3.12Å; G318-F420 CarbonylContact O-C 3.47Å; G318-F420 VanDerWaalsContact O-C 3.27Å; G318-F420 WeakPolarHBondContact O-CA 3.28Å; G318-G421 PolarHBondContact O-N 3.44Å
319Q98.9Very high98.6Very high0 Ų07.8 Ų7.80%04%0.042CC..  trans-89.751.7179.5-51.3172126.200109.8W187 N188 N316 Q317 F420W187-Q319 HydrophobicContact CH2-CB 3.87Å; W187-Q319 HydrophobicContact CH2-CG 3.84Å; W187-Q319 HydrophobicContact CZ3-CB 3.7Å; W187-Q319 HydrophobicContact CZ3-CG 3.87Å; W187-Q319 VanDerWaalsContact CZ3-OE1 3.26Å; N188-Q319 HydrophobicContact CB-CB 4.25Å; N188-Q319 VanDerWaalsContact CB-O 3.26Å; N188-Q319 WeakPolarHBondContact CB-O 3.48Å; N188-Q319 PolarHBondContact ND2-O 2.91Å; N316-Q319 PolarHBondContact ND2-O 3.07Å; N316-Q319 VanDerWaalsContact ND2-O 3.12Å; N316-Q319 WeakPolarHBondContact O-CB 3.45Å; N316-Q319 WeakPolarHBondContact O-CG 3.45Å; N316-Q319 PolarHBondContact O-N 3.47Å; N316-Q319 PolarHBondContact O-NE2 3.03Å; Q317-Q319 HydrophobicContact CB-CG 4.24Å; Q317-Q319 PolarHBondContact O-N 3.05Å; Q319-F420 VanDerWaalsContact C-CZ 3.42Å; Q319-F420 HydrophobicContact CB-CD1 3.86Å; Q319-F420 HydrophobicContact CB-CE1 3.7Å; Q319-F420 HydrophobicContact CB-CZ 4.25Å; Q319-F420 HydrophobicContact CG-CD1 4.25Å; Q319-F420 WeakPolarHBondContact O-CZ 3.32Å
320C98.6Very high98.6Very high4 Ų49.8 Ų9.83%0.0275%0.052CC..  trans-122127.7179-64.40000109.4F189 F315 G318 C322 A323 F420F189-C320 VanDerWaalsContact CZ-SG 3.55Å; F315-C320 VanDerWaalsContact CD1-SG 3.55Å; F315-C320 PolarHBondContact O-SG 3.32Å; G318-C320 PolarHBondContact O-N 3.49Å; G318-C320 VanDerWaalsContact O-N 3.12Å; C320-C322 PolarHBondContact O-N 3.04Å; C320-A323 HydrophobicContact CB-CB 4.15Å; C320-A323 VanDerWaalsContact O-CB 3.23Å; C320-A323 WeakPolarHBondContact O-CB 3.31Å; C320-A323 PolarHBondContact O-N 3.03Å; C320-F420 VanDerWaalsContact C-CE2 3.43Å
321C97.8Very high98.6Very high32 Ų3212.8 Ų12.822%0.2167%0.066CC..THydrogen-bonded Turntrans-61.3-30.5178.951.10000112G290 L446G290-C321 WeakPolarHBondContact CA-O 3.41Å; G290-C321 PolarHBondContact N-O 3.04Å; C321-L446 VanDerWaalsContact C-CD2 3.44Å; C321-L446 HydrophobicContact CB-CD2 3.52Å; C321-L446 WeakPolarHBondContact O-CD2 3.38Å; C321-L446 VanDerWaalsContact SG-CD2 3.59Å
322C98.6Very high98.6Very high4 Ų414.6 Ų14.63%0.0279%0.085CC..THydrogen-bonded Turntrans-92.18.817854.40000114.2S292 C320 S324 L446 A447 W471 Y475 D476 F484S292-C322 WeakPolarHBondContact CB-O 3.46Å; S292-C322 PolarHBondContact OG-O 3.43Å; C320-C322 PolarHBondContact O-N 3.04Å; C322-S324 PolarHBondContact O-N 3.46Å; C322-L446 HydrophobicContact CB-CD2 4.24Å; C322-A447 HydrophobicContact CB-CB 3.8Å; C322-W471 HydrophobicContact CB-CH2 4.02Å; C322-W471 HydrophobicContact CB-CZ3 4.41Å; C322-Y475 WeakPolarHBondContact O-CE1 3.48Å; C322-Y475 PolarHBondContact O-OH 3.34Å; C322-D476 PolarHBondContact SG-OD1 3.34Å; C322-F484 HydrophobicContact CB-CE2 4.28Å; C322-F484 HydrophobicContact CB-CZ 4.1Å
323A98.6Very high98.6Very high8 Ų816 Ų167%0.0669%0.092CC..  trans-50.9135.8-174.500000112.5G312 C320 S325G312-A323 CarbonylContact O-C 3.52Å; G312-A323 VanDerWaalsContact O-CA 3.23Å; G312-A323 WeakPolarHBondContact O-CA 3.24Å; C320-A323 HydrophobicContact CB-CB 4.15Å; C320-A323 VanDerWaalsContact O-CB 3.23Å; C320-A323 WeakPolarHBondContact O-CB 3.31Å; C320-A323 PolarHBondContact O-N 3.03Å; A323-S325 PolarHBondContact O-N 3.36Å; A323-S325 PolarHBondContact O-OG 3.05Å
324S98.3Very high98.6Very high0 Ų016 Ų160%09%0.092CC..  trans-71.266178.661.10000111.7S309 G312 L313 C322 I327 Y475S309-S324 PolarHBondContact O-OG 3.42Å; G312-S324 PolarHBondContact O-N 3.37Å; G312-S324 PolarHBondContact O-OG 3.39Å; L313-S324 PolarHBondContact N-OG 3.47Å; L313-S324 VanDerWaalsContact N-OG 3.12Å; C322-S324 PolarHBondContact O-N 3.46Å; S324-I327 VanDerWaalsContact O-CG1 3.31Å; S324-I327 WeakPolarHBondContact O-CG1 3.24Å; S324-Y475 WeakPolarHBondContact CA-OH 3.32Å; S324-Y475 VanDerWaalsContact CB-CZ 3.46Å; S324-Y475 PolarHBondContact N-OH 3.02Å
325S98.7Very high98.6Very high11 Ų1121.7 Ų21.78%0.07712%0.122CC..  trans-94.79.9-167.954.50000114K291 S292 A323 Q425K291-S325 WeakPolarHBondContact CD-OG 3.4Å; K291-S325 VanDerWaalsContact CE-O 3.27Å; K291-S325 WeakPolarHBondContact CE-O 3.37Å; S292-S325 PolarHBondContact O-N 3.02Å; A323-S325 PolarHBondContact O-N 3.36Å; A323-S325 PolarHBondContact O-OG 3.05Å; S325-Q425 PolarHBondContact O-OE1 3.42Å
326R98.9Very high98.6Very high6 Ų625.5 Ų25.52%0.02314%0.139CC..EExtended strand (participates in β ladder)trans-13999.2162.3-70.1-173.5-61.8145.13.4109K291 S292 P293 L294 F328 A415 M427 R438 A439K291-R326 HydrophobicContact CG-CG 3.94Å; K291-R326 PolarHBondContact O-NE 3.48Å; K291-R326 PolarHBondContact O-NH2 3.27Å; K291-R326 VanDerWaalsContact O-NH2 3.12Å; S292-R326 PolarHBondContact O-N 2.93Å; P293-R326 CarbonylContact C-O 3.57Å; P293-R326 VanDerWaalsContact CA-O 3.27Å; P293-R326 WeakPolarHBondContact CA-O 3.4Å; L294-R326 PolarHBondContact N-O 3.49Å; R326-F328 HydrophobicContact CB-CD2 4.39Å; R326-F328 HydrophobicContact CB-CE2 3.76Å; R326-F328 HydrophobicContact CB-CZ 4.4Å; R326-A415 VanDerWaalsContact CD-O 3.28Å; R326-A415 WeakPolarHBondContact CD-O 3.25Å; R326-M427 HydrophobicContact CB-SD 3.92Å; R326-M427 HydrophobicContact CG-SD 4.06Å; R326-R438 PolarHBondContact NH1-O 3.04Å; R326-A439 PolarHBondContact NH2-O 3.42Å
327I98.9Very high98.6Very high0 Ų025.4 Ų25.40%014%0.138CC..EExtended strand (participates in β ladder)trans-97.2104.1-177-52-178.4000108.3L294 I296 S324 V329 F337 M424 Q425 M427L294-I327 HydrophobicContact CB-CG1 4.38Å; L294-I327 HydrophobicContact CG-CG2 4.48Å; L294-I327 CarbonylContact O-C 3.57Å; L294-I327 VanDerWaalsContact O-CA 3.32Å; L294-I327 WeakPolarHBondContact O-CA 3.4Å; I296-I327 HydrophobicContact CG1-CG2 4.04Å; S324-I327 VanDerWaalsContact O-CG1 3.31Å; S324-I327 WeakPolarHBondContact O-CG1 3.24Å; I327-V329 HydrophobicContact CG2-CG2 3.91Å; I327-F337 HydrophobicContact CG2-CE1 3.95Å; I327-F337 HydrophobicContact CG2-CZ 3.95Å; I327-M424 HydrophobicContact CD1-CE 3.61Å; I327-M424 HydrophobicContact CD1-CG 3.64Å; I327-M424 HydrophobicContact CD1-SD 3.77Å; I327-Q425 WeakPolarHBondContact CB-O 3.3Å; I327-Q425 PolarHBondContact N-O 2.53Å; I327-M427 PolarHBondContact O-N 2.94Å
328F98.9Very high98.6Very high0 Ų026 Ų260%014%0.142CC..EExtended strand (participates in β ladder)trans-87.2118176-67.1-86.1000109.4P293 L294 I295 I296 R326 M427 F429 L435 R438P293-F328 HydrophobicContact CB-CD2 3.95Å; P293-F328 HydrophobicContact CB-CE2 3.81Å; L294-F328 PolarHBondContact O-N 2.91Å; I295-F328 CarbonylContact C-O 3.53Å; I295-F328 WeakPolarHBondContact CA-O 3.37Å; I296-F328 PolarHBondContact N-O 2.94Å; R326-F328 HydrophobicContact CB-CD2 4.39Å; R326-F328 HydrophobicContact CB-CE2 3.76Å; R326-F328 HydrophobicContact CB-CZ 4.4Å; F328-M427 CarbonylContact C-O 3.32Å; F328-M427 WeakPolarHBondContact CA-O 3.37Å; F328-M427 HydrophobicContact CD1-CB 3.92Å; F328-M427 HydrophobicContact CD1-SD 4.26Å; F328-M427 HydrophobicContact CE1-CB 4.12Å; F328-M427 HydrophobicContact CE1-SD 3.66Å; F328-M427 HydrophobicContact CE2-SD 4.12Å; F328-M427 HydrophobicContact CZ-SD 3.58Å; F328-M427 VanDerWaalsContact CZ-SD 3.58Å; F328-F429 HydrophobicContact CB-CD1 3.8Å; F328-F429 HydrophobicContact CB-CE1 4.29Å; F328-L435 HydrophobicContact CB-CD1 3.6Å; F328-L435 HydrophobicContact CD1-CD1 4.17Å; F328-L435 HydrophobicContact CD2-CD1 4.43Å; F328-L435 HydrophobicContact CG-CD1 3.83Å; F328-R438 HydrophobicContact CE1-CB 3.96Å; F328-R438 HydrophobicContact CZ-CB 4.2Å
329V98.9Very high98.6Very high0 Ų031.7 Ų31.70%017%0.168CC..EExtended strand (participates in β ladder)trans-118133.9-178.7-1750000109.9I296 I327 I333 Y334 F337 I426 M427 K428 F429I296-V329 HydrophobicContact CB-CG1 4.44Å; I296-V329 HydrophobicContact CB-CG2 4.24Å; I296-V329 HydrophobicContact CG1-CG2 4.22Å; I327-V329 HydrophobicContact CG2-CG2 3.91Å; V329-I333 HydrophobicContact CG1-CD1 3.93Å; V329-I333 HydrophobicContact CG1-CG1 3.8Å; V329-Y334 HydrophobicContact CB-CD2 4.08Å; V329-F337 HydrophobicContact CG1-CB 3.83Å; V329-F337 HydrophobicContact CG1-CD1 4.47Å; V329-F337 HydrophobicContact CG1-CD2 4.26Å; V329-F337 HydrophobicContact CG1-CG 3.94Å; V329-F337 HydrophobicContact CG2-CB 4.47Å; V329-F337 HydrophobicContact CG2-CD1 3.58Å; V329-F337 HydrophobicContact CG2-CD2 4.26Å; V329-F337 HydrophobicContact CG2-CE1 3.75Å; V329-F337 HydrophobicContact CG2-CE2 4.4Å; V329-F337 HydrophobicContact CG2-CG 3.85Å; V329-F337 HydrophobicContact CG2-CZ 4.15Å; V329-I426 HydrophobicContact CG2-CG2 3.83Å; V329-M427 PolarHBondContact N-O 2.82Å; V329-K428 WeakPolarHBondContact O-CA 3.46Å; V329-F429 WeakPolarHBondContact O-CD1 3.3Å; V329-F429 PolarHBondContact O-N 3.47Å
330E98.7Very high98.6Very high42 Ų4236.7 Ų36.720%0.19619%0.188CC..EExtended strand (participates in β ladder)trans-63.4135.9-179.9-167.7170.4-17200110.5I296 S298 S332 I333 Y334 F429I296-E330 PolarHBondContact O-N 2.74Å; S298-E330 WeakPolarHBondContact CB-OE2 3.39Å; S298-E330 PolarHBondContact N-OE2 3.41Å; S298-E330 VanDerWaalsContact OG-CD 3.27Å; S298-E330 PolarHBondContact OG-OE2 3.28Å; E330-S332 PolarHBondContact O-N 2.97Å; E330-I333 HydrophobicContact CB-CG1 4.5Å; E330-I333 WeakPolarHBondContact O-CG1 3.5Å; E330-I333 PolarHBondContact O-N 3.03Å; E330-Y334 PolarHBondContact O-N 3.48Å; E330-F429 HydrophobicContact CB-CE1 3.93Å; E330-F429 HydrophobicContact CB-CE2 4.14Å; E330-F429 HydrophobicContact CB-CZ 3.62Å; E330-F429 HydrophobicContact CG-CE2 4.17Å; E330-F429 HydrophobicContact CG-CZ 4.14Å
331E98.4Very high98.6Very high81 Ų8136.5 Ų36.538%0.37919%0.186SC..G310 helixtrans-50.2-35.8-170.7176.8161.6-116.100114.1I333 Y334 K428 F429 R430E331-I333 VanDerWaalsContact C-N 3.29Å; E331-I333 PolarHBondContact O-N 3.29Å; E331-Y334 PolarHBondContact O-N 2.99Å; E331-K428 HydrophobicContact CB-CD 4.03Å; E331-K428 HydrophobicContact CB-CG 3.96Å; E331-K428 HydrophobicContact CG-CD 3.83Å; E331-K428 HydrophobicContact CG-CG 4.34Å; E331-F429 PolarHBondContact N-O 3.11Å; E331-R430 HydrophobicContact CB-CG 4.35Å; E331-R430 VanDerWaalsContact CD-NE 3.34Å; E331-R430 IonicContact OE1-CZ 2.71Å; E331-R430 IonicContact OE1-NE 3.69Å; E331-R430 PolarHBondContact OE1-NE 3.48Å; E331-R430 IonicContact OE1-NH2 2.74Å; E331-R430 PolarHBondContact OE1-NH2 2.89Å; E331-R430 VanDerWaalsContact OE1-NH2 3.11Å; E331-R430 WeakPolarHBondContact OE2-CD 3.49Å; E331-R430 WeakPolarHBondContact OE2-CG 3.42Å; E331-R430 IonicContact OE2-NE 3.5Å; E331-R430 PolarHBondContact OE2-NE 3.47Å; E331-R430 VanDerWaalsContact OE2-NE 3.14Å
332S98.4Very high98.7Very high91 Ų9135.4 Ų35.464%0.63618%0.179SC*.G310 helixtrans-67.8-22-17766.40000115S298 E330S298-S332 WeakPolarHBondContact CB-OG 3.22Å; E330-S332 PolarHBondContact O-N 2.97Å
333I98.6Very high98.7Very high30 Ų3039.1 Ų39.115%0.15420%0.196CC..G310 helixtrans-117.61-179.858.7156000112.9I296 F302 V329 E330 E331 D335 K336 F337I296-I333 HydrophobicContact CG2-CD1 3.95Å; F302-I333 HydrophobicContact CD2-CD1 4.26Å; V329-I333 HydrophobicContact CG1-CD1 3.93Å; V329-I333 HydrophobicContact CG1-CG1 3.8Å; E330-I333 HydrophobicContact CB-CG1 4.5Å; E330-I333 WeakPolarHBondContact O-CG1 3.5Å; E330-I333 PolarHBondContact O-N 3.03Å; E331-I333 VanDerWaalsContact C-N 3.29Å; E331-I333 PolarHBondContact O-N 3.29Å; I333-D335 PolarHBondContact O-N 2.79Å; I333-K336 PolarHBondContact O-N 3.3Å; I333-F337 WeakPolarHBondContact O-CB 3.42Å; I333-F337 PolarHBondContact O-N 2.89Å
334Y98.8Very high98.6Very high4 Ų442.5 Ų42.52%0.01621%0.21CC..Hα-helixtrans-57.7-52-170.9177.8-91.2000113.6V329 E330 E331 K336 F337 V338 D407 I426 K428V329-Y334 HydrophobicContact CB-CD2 4.08Å; E330-Y334 PolarHBondContact O-N 3.48Å; E331-Y334 PolarHBondContact O-N 2.99Å; Y334-K336 VanDerWaalsContact C-N 3.33Å; Y334-K336 PolarHBondContact O-N 3.48Å; Y334-F337 WeakPolarHBondContact O-CB 3.5Å; Y334-F337 PolarHBondContact O-N 2.94Å; Y334-F337 VanDerWaalsContact O-N 3.12Å; Y334-V338 HydrophobicContact CD1-CG2 4.21Å; Y334-V338 HydrophobicContact CE1-CG2 3.83Å; Y334-V338 HydrophobicContact CE2-CG2 4.15Å; Y334-V338 WeakPolarHBondContact O-CG2 3.39Å; Y334-V338 PolarHBondContact O-N 3.34Å; Y334-D407 WeakPolarHBondContact CE1-OD1 3.29Å; Y334-D407 VanDerWaalsContact OH-CA 3.28Å; Y334-D407 WeakPolarHBondContact OH-CA 3.2Å; Y334-D407 PolarHBondContact OH-N 2.67Å; Y334-D407 PolarHBondContact OH-OD1 2.82Å; Y334-I426 HydrophobicContact CD2-CG2 4.44Å; Y334-I426 HydrophobicContact CE2-CG2 3.87Å; Y334-K428 HydrophobicContact CD2-CB 3.64Å; Y334-K428 HydrophobicContact CD2-CG 4Å; Y334-K428 HydrophobicContact CE2-CB 3.7Å; Y334-K428 HydrophobicContact CG-CB 4.22Å; Y334-K428 HydrophobicContact CG-CD 4.33Å; Y334-K428 HydrophobicContact CG-CG 4.18Å
335D98.7Very high98.6Very high119 Ų11942.5 Ų42.564%0.63621%0.211SC*.Hα-helixtrans-63.4-42.8-175.1-65.3-27.1000111.1I333 F337 V338 E339I333-D335 PolarHBondContact O-N 2.79Å; D335-F337 VanDerWaalsContact C-N 3.33Å; D335-F337 PolarHBondContact O-N 3.27Å; D335-V338 PolarHBondContact O-N 2.93Å; D335-E339 PolarHBondContact O-N 2.88Å
336K98.5Very high98.6Very high100 Ų10047.3 Ų47.344%0.43523%0.23SC..Hα-helixtrans-62.4-41.2175.1-170.5-173.1176.6-172.40111.4F302 I333 Y334 E339 Y340F302-K336 HydrophobicContact CE1-CD 4.28Å; F302-K336 HydrophobicContact CE1-CG 4.37Å; F302-K336 HydrophobicContact CE2-CB 4.48Å; F302-K336 HydrophobicContact CE2-CD 4.16Å; F302-K336 HydrophobicContact CE2-CG 4.27Å; F302-K336 HydrophobicContact CZ-CB 4.28Å; F302-K336 HydrophobicContact CZ-CD 3.87Å; F302-K336 HydrophobicContact CZ-CG 3.74Å; I333-K336 PolarHBondContact O-N 3.3Å; Y334-K336 VanDerWaalsContact C-N 3.33Å; Y334-K336 PolarHBondContact O-N 3.48Å; K336-E339 PolarHBondContact O-N 3.16Å; K336-Y340 HydrophobicContact CG-CD2 3.98Å; K336-Y340 HydrophobicContact CG-CE2 3.96Å; K336-Y340 VanDerWaalsContact O-CD2 3.26Å; K336-Y340 WeakPolarHBondContact O-CD2 3.19Å; K336-Y340 PolarHBondContact O-N 3.06Å
337F98.8Very high98.6Very high0 Ų053.4 Ų53.40%026%0.257CS..Hα-helixtrans-63.6-46.8178-170.9-81.4000111.4I296 F302 A305 I306 S309 I327 V329 I333 Y334 D335 E339 Y340 S341 I426I296-F337 HydrophobicContact CB-CE2 4.42Å; I296-F337 HydrophobicContact CG1-CE2 3.92Å; I296-F337 HydrophobicContact CG1-CZ 4.09Å; I296-F337 HydrophobicContact CG2-CD2 4.25Å; I296-F337 HydrophobicContact CG2-CE2 4.03Å; F302-F337 HydrophobicContact CE2-CB 4.08Å; F302-F337 HydrophobicContact CE2-CD2 4.12Å; F302-F337 HydrophobicContact CZ-CB 4.36Å; A305-F337 HydrophobicContact CB-CE2 4.42Å; I306-F337 HydrophobicContact CD1-CD1 4.25Å; I306-F337 HydrophobicContact CD1-CD2 3.5Å; I306-F337 HydrophobicContact CD1-CE1 4.29Å; I306-F337 HydrophobicContact CD1-CE2 3.54Å; I306-F337 HydrophobicContact CD1-CG 3.89Å; I306-F337 HydrophobicContact CD1-CZ 3.95Å; I306-F337 HydrophobicContact CG1-CD2 4.22Å; I306-F337 HydrophobicContact CG1-CE2 4.14Å; S309-F337 WeakPolarHBondContact OG-CZ 3.43Å; I327-F337 HydrophobicContact CG2-CE1 3.95Å; I327-F337 HydrophobicContact CG2-CZ 3.95Å; V329-F337 HydrophobicContact CG1-CB 3.83Å; V329-F337 HydrophobicContact CG1-CD1 4.47Å; V329-F337 HydrophobicContact CG1-CD2 4.26Å; V329-F337 HydrophobicContact CG1-CG 3.94Å; V329-F337 HydrophobicContact CG2-CB 4.47Å; V329-F337 HydrophobicContact CG2-CD1 3.58Å; V329-F337 HydrophobicContact CG2-CD2 4.26Å; V329-F337 HydrophobicContact CG2-CE1 3.75Å; V329-F337 HydrophobicContact CG2-CE2 4.4Å; V329-F337 HydrophobicContact CG2-CG 3.85Å; V329-F337 HydrophobicContact CG2-CZ 4.15Å; I333-F337 WeakPolarHBondContact O-CB 3.42Å; I333-F337 PolarHBondContact O-N 2.89Å; Y334-F337 WeakPolarHBondContact O-CB 3.5Å; Y334-F337 PolarHBondContact O-N 2.94Å; Y334-F337 VanDerWaalsContact O-N 3.12Å; D335-F337 VanDerWaalsContact C-N 3.33Å; D335-F337 PolarHBondContact O-N 3.27Å; F337-E339 VanDerWaalsContact C-N 3.33Å; F337-E339 PolarHBondContact O-N 2.87Å; F337-Y340 PolarHBondContact O-N 3.5Å; F337-S341 WeakPolarHBondContact CE1-OG 3.5Å; F337-S341 VanDerWaalsContact O-CB 3.28Å; F337-S341 WeakPolarHBondContact O-CB 3.26Å; F337-S341 PolarHBondContact O-N 3.24Å; F337-S341 PolarHBondContact O-OG 3.09Å; F337-I426 HydrophobicContact CD1-CD1 4.19Å; F337-I426 HydrophobicContact CD1-CG2 4.11Å; F337-I426 HydrophobicContact CE1-CD1 4.18Å; F337-I426 HydrophobicContact CE1-CG2 4.34Å
338V98.9Very high98.5Very high13 Ų1355.2 Ų55.28%0.07926%0.264CS..Hα-helixtrans-59.4-43.6177.4170.90000111.5Y334 D335 S342 A406 I426Y334-V338 HydrophobicContact CD1-CG2 4.21Å; Y334-V338 HydrophobicContact CE1-CG2 3.83Å; Y334-V338 HydrophobicContact CE2-CG2 4.15Å; Y334-V338 WeakPolarHBondContact O-CG2 3.39Å; Y334-V338 PolarHBondContact O-N 3.34Å; D335-V338 PolarHBondContact O-N 2.93Å; V338-S342 VanDerWaalsContact O-CB 3.29Å; V338-S342 WeakPolarHBondContact O-CB 3.4Å; V338-S342 PolarHBondContact O-N 2.75Å; V338-S342 PolarHBondContact O-OG 3.14Å; V338-A406 HydrophobicContact CB-CB 4.47Å; V338-A406 HydrophobicContact CG1-CB 3.68Å; V338-A406 HydrophobicContact CG2-CB 3.86Å; V338-I426 HydrophobicContact CG2-CB 4.36Å; V338-I426 HydrophobicContact CG2-CD1 4.17Å; V338-I426 HydrophobicContact CG2-CG2 3.92Å
339E98.7Very high98.5Very high121 Ų12159.1 Ų59.157%0.56528%0.284SS*.Hα-helixtrans-59.7-55.5176.4-177.6-174.6-175.500111.2D335 K336 F337 S341 S342 E343D335-E339 PolarHBondContact O-N 2.88Å; K336-E339 PolarHBondContact O-N 3.16Å; F337-E339 VanDerWaalsContact C-N 3.33Å; F337-E339 PolarHBondContact O-N 2.87Å; E339-S341 VanDerWaalsContact C-N 3.34Å; E339-S341 PolarHBondContact O-N 3.26Å; E339-S342 PolarHBondContact O-N 2.9Å; E339-S342 VanDerWaalsContact O-N 3.17Å; E339-E343 PolarHBondContact O-N 3.4Å
340Y98.6Very high98.5Very high104 Ų10459.8 Ų59.841%0.40829%0.288SS..Hα-helixtrans-62.8-41-177.5-85.8-119.8000111.7F302 K336 F337 E343 E344F302-Y340 AromaticContact CE1-CD1 3.84Å; F302-Y340 HydrophobicContact CE1-CD1 3.84Å; F302-Y340 HydrophobicContact CE1-CD2 4.43Å; F302-Y340 HydrophobicContact CE1-CE1 4.3Å; F302-Y340 AromaticContact CE1-CG 3.91Å; F302-Y340 HydrophobicContact CE1-CG 3.91Å; F302-Y340 HydrophobicContact CZ-CG 4.27Å; K336-Y340 HydrophobicContact CG-CD2 3.98Å; K336-Y340 HydrophobicContact CG-CE2 3.96Å; K336-Y340 VanDerWaalsContact O-CD2 3.26Å; K336-Y340 WeakPolarHBondContact O-CD2 3.19Å; K336-Y340 PolarHBondContact O-N 3.06Å; F337-Y340 PolarHBondContact O-N 3.5Å; Y340-E343 PolarHBondContact O-N 3.3Å; Y340-E344 WeakPolarHBondContact O-CB 3.02Å; Y340-E344 PolarHBondContact O-N 2.94Å
341S98.7Very high98.4Very high0 Ų058.5 Ų58.50%029%0.285CS..Hα-helixtrans-64.5-39.9175.9-75.90000112.4I306 H310 F337 E339 E344 A345I306-S341 WeakPolarHBondContact CD1-OG 3.49Å; H310-S341 PolarHBondContact CE1-O 3.05Å; H310-S341 WeakPolarHBondContact NE2-CA 3.45Å; H310-S341 WeakPolarHBondContact NE2-CB 3.23Å; H310-S341 PolarHBondContact NE2-O 3.19Å; H310-S341 PolarHBondContact NE2-OG 3.31Å; F337-S341 WeakPolarHBondContact CE1-OG 3.5Å; F337-S341 VanDerWaalsContact O-CB 3.28Å; F337-S341 WeakPolarHBondContact O-CB 3.26Å; F337-S341 PolarHBondContact O-N 3.24Å; F337-S341 PolarHBondContact O-OG 3.09Å; E339-S341 VanDerWaalsContact C-N 3.34Å; E339-S341 PolarHBondContact O-N 3.26Å; S341-E344 PolarHBondContact O-N 3.33Å; S341-A345 WeakPolarHBondContact O-CB 3.07Å; S341-A345 PolarHBondContact O-N 3.43Å
342S98.5Very high98.4Very high9 Ų959 Ų596%0.06329%0.291CS..Hα-helixtrans-65.5-41.4177.1-600000111.7V338 E339 K346 C387V338-S342 VanDerWaalsContact O-CB 3.29Å; V338-S342 WeakPolarHBondContact O-CB 3.4Å; V338-S342 PolarHBondContact O-N 2.75Å; V338-S342 PolarHBondContact O-OG 3.14Å; E339-S342 PolarHBondContact O-N 2.9Å; E339-S342 VanDerWaalsContact O-N 3.17Å; S342-K346 VanDerWaalsContact O-CG 3.31Å; S342-K346 WeakPolarHBondContact O-CG 3.46Å; S342-K346 PolarHBondContact O-N 2.88Å; S342-C387 WeakPolarHBondContact OG-CB 3.35Å
343E98.4Very high98.4Very high82 Ų8254.8 Ų54.838%0.38326%0.261SS..Hα-helixtrans-66.6-40.3176.1-70.3-51.2120.900112.4E339 Y340 K346 K347E339-E343 PolarHBondContact O-N 3.4Å; Y340-E343 PolarHBondContact O-N 3.3Å; E343-K346 PolarHBondContact O-N 3.02Å; E343-K346 IonicContact OE1-NZ 2.67Å; E343-K346 PolarHBondContact OE1-NZ 2.73Å; E343-K347 WeakPolarHBondContact O-CG 3.2Å; E343-K347 PolarHBondContact O-N 2.67Å
344E97.9Very high98.4Very high79 Ų7954.2 Ų54.237%0.36926%0.258SS..Hα-helixtrans-69.5-36.7178.6-165.662.6-161.600112Y340 S341 K346 K347 R348Y340-E344 WeakPolarHBondContact O-CB 3.02Å; Y340-E344 PolarHBondContact O-N 2.94Å; S341-E344 PolarHBondContact O-N 3.33Å; E344-K346 VanDerWaalsContact C-N 3.31Å; E344-K346 PolarHBondContact O-N 2.87Å; E344-K347 PolarHBondContact O-N 2.85Å; E344-K347 IonicContact OE2-NZ 3.97Å; E344-K347 PolarHBondContact OE2-NZ 3.15Å; E344-R348 PolarHBondContact O-N 3.45Å
345A98.5Very high98.3Very high1 Ų157.7 Ų57.71%0.00828%0.277CS..Hα-helixtrans-62.1-37.2173.600000112.2H310 F314 S341 K347 R348 T388 P402 V404H310-A345 PolarHBondContact CE1-N 2.72Å; F314-A345 HydrophobicContact CE2-CB 4.34Å; F314-A345 HydrophobicContact CZ-CB 4.2Å; S341-A345 WeakPolarHBondContact O-CB 3.07Å; S341-A345 PolarHBondContact O-N 3.43Å; A345-K347 VanDerWaalsContact C-N 3.3Å; A345-K347 PolarHBondContact O-N 3.23Å; A345-R348 WeakPolarHBondContact O-CB 3.1Å; A345-R348 PolarHBondContact O-N 3.27Å; A345-T388 HydrophobicContact CB-CG2 3.83Å; A345-P402 HydrophobicContact CB-CB 4.16Å; A345-V404 HydrophobicContact CB-CG2 3.62Å
346K98.3Very high98.2Very high112 Ų11254.7 Ų54.749%0.48726%0.26SS..Hα-helixtrans-65.8-29.1176.1-70.7167.9-168.5171.20113.3S342 E343 E344 R348 T388S342-K346 VanDerWaalsContact O-CG 3.31Å; S342-K346 WeakPolarHBondContact O-CG 3.46Å; S342-K346 PolarHBondContact O-N 2.88Å; E343-K346 PolarHBondContact O-N 3.02Å; E343-K346 IonicContact OE1-NZ 2.67Å; E343-K346 PolarHBondContact OE1-NZ 2.73Å; E344-K346 VanDerWaalsContact C-N 3.31Å; E344-K346 PolarHBondContact O-N 2.87Å; K346-R348 VanDerWaalsContact C-N 3.34Å; K346-T388 HydrophobicContact CG-CG2 4.36Å; K346-T388 VanDerWaalsContact CG-OG1 3.32Å; K346-T388 WeakPolarHBondContact CG-OG1 3.33Å
347K97.6Very high98.1Very high133 Ų13354 Ų5458%0.57826%0.262SS*.Hα-helixtrans-79.1-16-180-65.8173.7-151.91570113.4E343 E344 A345 I349E343-K347 WeakPolarHBondContact O-CG 3.2Å; E343-K347 PolarHBondContact O-N 2.67Å; E344-K347 PolarHBondContact O-N 2.85Å; E344-K347 IonicContact OE2-NZ 3.97Å; E344-K347 PolarHBondContact OE2-NZ 3.15Å; A345-K347 VanDerWaalsContact C-N 3.3Å; A345-K347 PolarHBondContact O-N 3.23Å; K347-I349 PolarHBondContact O-N 3.38Å
348R97.7Very high98Very high39 Ų3954.4 Ų54.415%0.14726%0.264CS..  trans-64.3125.6-177.7-172.5169.9179.271.50.2110.2F314 E344 A345 K346 V350 T359 Q360 P402F314-R348 PolarHBondContact O-NH2 2.65Å; E344-R348 PolarHBondContact O-N 3.45Å; A345-R348 WeakPolarHBondContact O-CB 3.1Å; A345-R348 PolarHBondContact O-N 3.27Å; K346-R348 VanDerWaalsContact C-N 3.34Å; R348-V350 PolarHBondContact O-N 3.36Å; R348-T359 WeakPolarHBondContact CG-OG1 3.23Å; R348-T359 PolarHBondContact NH1-O 2.76Å; R348-T359 PolarHBondContact NH2-O 3.22Å; R348-Q360 HydrophobicContact CG-CB 4.3Å; R348-P402 HydrophobicContact CB-CG 3.94Å; R348-P402 HydrophobicContact CG-CG 4.13Å
349I98.3Very high97.9Very high81 Ų8154.8 Ų54.842%0.41527%0.266SS..  trans-84.6108.7-176.2-57.4172.6000108.4K347 N357 T359 Q360K347-I349 PolarHBondContact O-N 3.38Å; I349-N357 HydrophobicContact CD1-CB 4.44Å; I349-N357 WeakPolarHBondContact CD1-O 3.21Å; I349-T359 PolarHBondContact N-OG1 3.39Å; I349-T359 PolarHBondContact O-N 3.03Å; I349-T359 PolarHBondContact O-OG1 3.43Å; I349-Q360 PolarHBondContact O-N 2.82Å
350V98.7Very high98Very high15 Ų1549 Ų499%0.09124%0.239CC..BIsolated β-bridgetrans-96.1131.1173.3-172.10000108.6R348 Q360 F393 F399 P402R348-V350 PolarHBondContact O-N 3.36Å; V350-Q360 WeakPolarHBondContact CA-O 3.35Å; V350-Q360 HydrophobicContact CG2-CB 4.24Å; V350-F393 HydrophobicContact CB-CD1 4.1Å; V350-F393 HydrophobicContact CB-CD2 4.37Å; V350-F393 HydrophobicContact CB-CE1 4.26Å; V350-F393 HydrophobicContact CB-CG 4.15Å; V350-F393 HydrophobicContact CB-CZ 4.47Å; V350-F393 HydrophobicContact CG1-CB 4.17Å; V350-F393 HydrophobicContact CG1-CD1 3.71Å; V350-F393 HydrophobicContact CG1-CE1 4.25Å; V350-F393 HydrophobicContact CG1-CG 3.92Å; V350-F393 WeakPolarHBondContact O-CE1 3.25Å; V350-F393 WeakPolarHBondContact O-CZ 3.47Å; V350-F399 HydrophobicContact CG1-CB 4.07Å; V350-F399 HydrophobicContact CG1-CD1 3.77Å; V350-F399 HydrophobicContact CG1-CG 4.32Å; V350-P402 HydrophobicContact CG2-CG 4.03Å
351G98.2Very high98Very high14 Ų1444.1 Ų44.114%0.14422%0.22CC..SBendtrans172.7-162.7-179.100000114.4T358 Q360 F399G351-T358 WeakPolarHBondContact O-CG2 3.46Å; G351-Q360 PolarHBondContact N-O 3.27Å; G351-F399 WeakPolarHBondContact O-CE1 3.49Å
352N98.2Very high98Very high92 Ų9244.1 Ų44.149%0.49222%0.22SC..  trans-54.9120.8178.2178.6-3.2000109.9F354 D355 T358N352-F354 PolarHBondContact O-N 2.89Å; N352-F354 VanDerWaalsContact O-N 3.13Å; N352-F354 PolarHBondContact OD1-N 2.78Å; N352-D355 WeakPolarHBondContact O-CB 3.27Å; N352-D355 PolarHBondContact O-N 2.83Å; N352-T358 VanDerWaalsContact O-CB 3.28Å; N352-T358 WeakPolarHBondContact O-CB 3.27Å; N352-T358 PolarHBondContact O-OG1 3.13Å
353P98.5Very high98Very high2 Ų243.7 Ų43.71%0.01322%0.217CC..THydrogen-bonded Turntrans-68.8-12.5-17529.6-37.6000114A62 T126 G130 P132 F133A62-P353 HydrophobicContact CB-CG 4.09Å; T126-P353 HydrophobicContact CG2-CB 3.79Å; T126-P353 HydrophobicContact CG2-CG 3.91Å; G130-P353 WeakPolarHBondContact O-CB 3.25Å; G130-P353 WeakPolarHBondContact O-CG 3.27Å; P132-P353 CarbonylContact C-O 3.47Å; P132-P353 WeakPolarHBondContact CA-O 3.37Å; F133-P353 PolarHBondContact N-O 3.41Å
354F98.3Very high98Very high18 Ų1840 Ų408%0.07920%0.2CC..THydrogen-bonded Turntrans-83.3-13.7171.2-73.8-73.1000114.2P30 L32 S123 T126 L127 F133 N352 L356P30-F354 HydrophobicContact CB-CD1 3.59Å; P30-F354 HydrophobicContact CB-CE1 4.03Å; P30-F354 HydrophobicContact CG-CD1 4.01Å; L32-F354 HydrophobicContact CD2-CB 3.6Å; L32-F354 HydrophobicContact CD2-CD1 3.99Å; L32-F354 HydrophobicContact CD2-CG 3.86Å; S123-F354 WeakPolarHBondContact O-CZ 3.3Å; T126-F354 HydrophobicContact CG2-CD1 4Å; T126-F354 HydrophobicContact CG2-CD2 4.07Å; T126-F354 HydrophobicContact CG2-CE1 3.82Å; T126-F354 HydrophobicContact CG2-CE2 3.86Å; T126-F354 HydrophobicContact CG2-CG 4.15Å; T126-F354 HydrophobicContact CG2-CZ 3.75Å; L127-F354 HydrophobicContact CB-CE2 4.5Å; L127-F354 HydrophobicContact CB-CZ 4.19Å; L127-F354 HydrophobicContact CD1-CE2 4.34Å; F133-F354 HydrophobicContact CB-CD1 4.33Å; N352-F354 PolarHBondContact O-N 2.89Å; N352-F354 VanDerWaalsContact O-N 3.13Å; N352-F354 PolarHBondContact OD1-N 2.78Å; F354-L356 PolarHBondContact O-N 2.75Å
355D97.1Very high98Very high78 Ų7837.6 Ų37.642%0.41719%0.19SC..SBendtrans-72.2122.6170.3-175.3-28.3000109N352 N357 T358N352-D355 WeakPolarHBondContact O-CB 3.27Å; N352-D355 PolarHBondContact O-N 2.83Å; D355-N357 PolarHBondContact O-N 3.17Å; D355-N357 WeakPolarHBondContact OD1-CB 3.32Å; D355-N357 PolarHBondContact OD1-N 3.48Å; D355-N357 PolarHBondContact OD1-ND2 2.92Å; D355-T358 VanDerWaalsContact O-CB 3.31Å; D355-T358 WeakPolarHBondContact O-CB 3.43Å; D355-T358 PolarHBondContact O-N 3.19Å
356L95.5Very high98Very high56 Ų5643 Ų4329%0.29322%0.215SC..THydrogen-bonded Turntrans-63.5-11.5-177.9-59.7-179.1000113.9F133 F354F133-L356 HydrophobicContact CD1-CD2 3.87Å; F133-L356 HydrophobicContact CE1-CD2 4.44Å; F354-L356 PolarHBondContact O-N 2.75Å
357N96.2Very high98Very high86 Ų8643.6 Ų43.646%0.4622%0.219SC..THydrogen-bonded Turntrans-92.4-16.7172.3-63.8-61000113.7I349 D355 T359I349-N357 HydrophobicContact CD1-CB 4.44Å; I349-N357 WeakPolarHBondContact CD1-O 3.21Å; D355-N357 PolarHBondContact O-N 3.17Å; D355-N357 WeakPolarHBondContact OD1-CB 3.32Å; D355-N357 PolarHBondContact OD1-N 3.48Å; D355-N357 PolarHBondContact OD1-ND2 2.92Å; N357-T359 PolarHBondContact O-N 3.33Å
358T97.8Very high98.1Very high8 Ų838.7 Ų38.75%0.04920%0.198CC..  trans-62.8130.6176.8-690000109.8P132 G351 N352 D355 Q360P132-T358 HydrophobicContact CG-CG2 4.35Å; G351-T358 WeakPolarHBondContact O-CG2 3.46Å; N352-T358 VanDerWaalsContact O-CB 3.28Å; N352-T358 WeakPolarHBondContact O-CB 3.27Å; N352-T358 PolarHBondContact O-OG1 3.13Å; D355-T358 VanDerWaalsContact O-CB 3.31Å; D355-T358 WeakPolarHBondContact O-CB 3.43Å; D355-T358 PolarHBondContact O-N 3.19Å; T358-Q360 VanDerWaalsContact CG2-O 3.24Å; T358-Q360 WeakPolarHBondContact CG2-O 3.17Å
359T97.3Very high98.1Very high21 Ų2137.5 Ų37.513%0.12919%0.194CC..  trans-109.7-11.7177.157.20000112.7R348 I349 N357R348-T359 WeakPolarHBondContact CG-OG1 3.23Å; R348-T359 PolarHBondContact NH1-O 2.76Å; R348-T359 PolarHBondContact NH2-O 3.22Å; I349-T359 PolarHBondContact N-OG1 3.39Å; I349-T359 PolarHBondContact O-N 3.03Å; I349-T359 PolarHBondContact O-OG1 3.43Å; N357-T359 PolarHBondContact O-N 3.33Å
360Q98.8Very high98.1Very high0 Ų038.4 Ų38.40%020%0.197CC..BIsolated β-bridgetrans-144.5120.4178.2-168.5175.9-70.600110.3Q317 R348 I349 V350 G351 T358 I400Q317-Q360 HydrophobicContact CB-CG 4.42Å; Q317-Q360 HydrophobicContact CG-CG 3.74Å; R348-Q360 HydrophobicContact CG-CB 4.3Å; I349-Q360 PolarHBondContact O-N 2.82Å; V350-Q360 WeakPolarHBondContact CA-O 3.35Å; V350-Q360 HydrophobicContact CG2-CB 4.24Å; G351-Q360 PolarHBondContact N-O 3.27Å; T358-Q360 VanDerWaalsContact CG2-O 3.24Å; T358-Q360 WeakPolarHBondContact CG2-O 3.17Å; Q360-I400 PolarHBondContact NE2-O 2.92Å
361G98.8Very high98.1Very high0 Ų039.4 Ų39.40%020%0.203CC..  trans-82.5-163.2170.600000113.2G130 Q317G130-G361 WeakPolarHBondContact O-CA 3.34Å; Q317-G361 WeakPolarHBondContact CG-O 3.35Å
362P98.9Very high98.2Very high0 Ų038.7 Ų38.70%020%0.196CC..  trans-81167.1172.437.5-37000112P61 A62 G130 Q317 F399P61-P362 HydrophobicContact CB-CB 4.19Å; P61-P362 HydrophobicContact CB-CG 3.66Å; P61-P362 HydrophobicContact CG-CG 3.87Å; P61-P362 WeakPolarHBondContact O-CB 3.46Å; A62-P362 HydrophobicContact CB-CG 4.11Å; G130-P362 VanDerWaalsContact O-CD 3.25Å; G130-P362 WeakPolarHBondContact O-CD 3.46Å; Q317-P362 WeakPolarHBondContact CG-O 3.22Å; P362-F399 HydrophobicContact CB-CD1 3.81Å; P362-F399 HydrophobicContact CB-CD2 4.18Å; P362-F399 HydrophobicContact CB-CE1 3.75Å; P362-F399 HydrophobicContact CB-CE2 4.13Å; P362-F399 HydrophobicContact CB-CG 4.03Å; P362-F399 HydrophobicContact CB-CZ 3.92Å; P362-F399 VanDerWaalsContact CD-CE1 3.41Å; P362-F399 HydrophobicContact CG-CE1 4.02Å; P362-F399 HydrophobicContact CG-CZ 4.08Å; P362-F399 VanDerWaalsContact N-CE1 3.28Å
363Q98.9Very high98.2Very high0 Ų035.7 Ų35.70%018%0.179CC..  trans-65.9156.3161.1-51.5-45.3113.100110.1P61 Q317 D365 Q368 Y398 I400P61-Q363 WeakPolarHBondContact CB-O 3.46Å; Q317-Q363 PolarHBondContact O-NE2 3.32Å; Q363-D365 VanDerWaalsContact C-N 3.32Å; Q363-D365 PolarHBondContact O-N 3.33Å; Q363-Q368 HydrophobicContact CB-CB 4.46Å; Q363-Y398 PolarHBondContact N-O 3.34Å; Q363-Y398 WeakPolarHBondContact O-CB 3.33Å; Q363-I400 HydrophobicContact CG-CD1 3.72Å; Q363-I400 HydrophobicContact CG-CG1 4.16Å
364V98.8Very high98.2Very high4 Ų438.5 Ų38.52%0.02420%0.199CC..SBendtrans-62.7-31.7-170.474.70000114.8P61 W187 Q215 T216 Q368P61-V364 WeakPolarHBondContact CB-O 3.23Å; W187-V364 HydrophobicContact CB-CG2 4.27Å; W187-V364 HydrophobicContact CD2-CB 4.03Å; W187-V364 HydrophobicContact CD2-CG1 3.62Å; W187-V364 HydrophobicContact CD2-CG2 3.98Å; W187-V364 HydrophobicContact CE3-CB 3.49Å; W187-V364 VanDerWaalsContact CE3-CB 3.49Å; W187-V364 HydrophobicContact CE3-CG1 3.54Å; W187-V364 HydrophobicContact CE3-CG2 3.6Å; W187-V364 HydrophobicContact CG-CG1 4.34Å; W187-V364 HydrophobicContact CG-CG2 4.25Å; W187-V364 HydrophobicContact CH2-CB 4.11Å; W187-V364 HydrophobicContact CH2-CG1 3.59Å; W187-V364 HydrophobicContact CZ2-CG1 3.7Å; W187-V364 HydrophobicContact CZ3-CB 3.57Å; W187-V364 HydrophobicContact CZ3-CG1 3.55Å; W187-V364 HydrophobicContact CZ3-CG2 4.2Å; Q215-V364 HydrophobicContact CB-CG2 3.88Å; Q215-V364 HydrophobicContact CG-CG1 4.49Å; Q215-V364 HydrophobicContact CG-CG2 4.44Å; T216-V364 HydrophobicContact CG2-CG2 4.03Å; V364-Q368 HydrophobicContact CG1-CB 4.24Å; V364-Q368 HydrophobicContact CG1-CG 3.9Å
365D98.6Very high98.2Very high30 Ų3039.5 Ų39.516%0.1620%0.202CC..SBendtrans-156.5174.6-177.666.417.5000111.7Q215 Q363 H367 Q368 F369Q215-D365 WeakPolarHBondContact CG-OD2 3.3Å; Q363-D365 VanDerWaalsContact C-N 3.32Å; Q363-D365 PolarHBondContact O-N 3.33Å; D365-H367 VanDerWaalsContact C-N 3.31Å; D365-H367 PolarHBondContact O-N 3.34Å; D365-H367 PolarHBondContact OD1-N 2.89Å; D365-Q368 WeakPolarHBondContact OD1-CB 3.24Å; D365-Q368 WeakPolarHBondContact OD1-CG 3.42Å; D365-Q368 PolarHBondContact OD1-N 2.89Å; D365-F369 WeakPolarHBondContact O-CB 3.37Å; D365-F369 PolarHBondContact O-N 3.31Å
366E98.2Very high98.3Very high114 Ų11435.8 Ų35.853%0.53318%0.182SC..Hα-helixtrans-63.3-37.5177.6-175.2171.8-160.500112.1F369 Q370 Y398E366-F369 WeakPolarHBondContact O-CB 3.14Å; E366-F369 PolarHBondContact O-N 2.88Å; E366-Q370 HydrophobicContact CG-CG 4.31Å; E366-Q370 WeakPolarHBondContact O-CG 3.32Å; E366-Q370 PolarHBondContact O-N 2.89Å; E366-Y398 HydrophobicContact CB-CD1 4.32Å; E366-Y398 HydrophobicContact CB-CE1 3.64Å; E366-Y398 HydrophobicContact CG-CE1 4.26Å
367H98.3Very high98.5Very high125 Ų12539.2 Ų39.258%0.57920%0.197SC*.Hα-helixtrans-62.3-48-179178.868.2000111.5D365 F369 Q370 T371D365-H367 VanDerWaalsContact C-N 3.31Å; D365-H367 PolarHBondContact O-N 3.34Å; D365-H367 PolarHBondContact OD1-N 2.89Å; H367-F369 VanDerWaalsContact C-N 3.34Å; H367-Q370 PolarHBondContact O-N 3.32Å; H367-T371 WeakPolarHBondContact O-CB 3.48Å; H367-T371 PolarHBondContact O-N 3.02Å; H367-T371 PolarHBondContact O-OG1 3.37Å
368Q98.7Very high98.6Very high29 Ų2936.2 Ų36.214%0.13618%0.183CC..Hα-helixtrans-66.3-38176-73.7-60.6103.900111.7W187 Q363 V364 D365 Q370 T371 V372W187-Q368 HydrophobicContact CH2-CG 4.11Å; W187-Q368 HydrophobicContact CZ2-CG 3.67Å; Q363-Q368 HydrophobicContact CB-CB 4.46Å; V364-Q368 HydrophobicContact CG1-CB 4.24Å; V364-Q368 HydrophobicContact CG1-CG 3.9Å; D365-Q368 WeakPolarHBondContact OD1-CB 3.24Å; D365-Q368 WeakPolarHBondContact OD1-CG 3.42Å; D365-Q368 PolarHBondContact OD1-N 2.89Å; Q368-Q370 PolarHBondContact O-N 3.31Å; Q368-T371 PolarHBondContact O-N 2.96Å; Q368-V372 WeakPolarHBondContact O-CB 3.19Å; Q368-V372 VanDerWaalsContact O-CG2 3.23Å; Q368-V372 WeakPolarHBondContact O-CG2 3.49Å; Q368-V372 PolarHBondContact O-N 3.02Å
369F98.8Very high98.6Very high15 Ų1535.9 Ų35.97%0.06618%0.18CC..Hα-helixtrans-55.8-52.2173175.3-94.6000111.9D365 E366 H367 T371 V372 M373 Q392 Y398 I400D365-F369 WeakPolarHBondContact O-CB 3.37Å; D365-F369 PolarHBondContact O-N 3.31Å; E366-F369 WeakPolarHBondContact O-CB 3.14Å; E366-F369 PolarHBondContact O-N 2.88Å; H367-F369 VanDerWaalsContact C-N 3.34Å; F369-T371 PolarHBondContact O-N 3.24Å; F369-V372 PolarHBondContact O-N 2.97Å; F369-M373 HydrophobicContact CD1-CG 4.38Å; F369-M373 HydrophobicContact CE1-CG 4.01Å; F369-M373 HydrophobicContact CE2-CG 4.2Å; F369-M373 HydrophobicContact CZ-CG 3.91Å; F369-M373 HydrophobicContact CZ-SD 4.46Å; F369-M373 WeakPolarHBondContact O-CB 3.47Å; F369-M373 VanDerWaalsContact O-CG 3.28Å; F369-M373 WeakPolarHBondContact O-CG 3.3Å; F369-M373 PolarHBondContact O-N 2.97Å; F369-Q392 HydrophobicContact CE2-CB 4.25Å; F369-Q392 HydrophobicContact CE2-CG 3.86Å; F369-Q392 HydrophobicContact CZ-CB 3.98Å; F369-Q392 HydrophobicContact CZ-CG 3.75Å; F369-Y398 HydrophobicContact CB-CD1 4.25Å; F369-Y398 HydrophobicContact CB-CG 4.36Å; F369-Y398 HydrophobicContact CG-CD1 4.44Å; F369-I400 HydrophobicContact CD2-CD1 3.8Å; F369-I400 HydrophobicContact CD2-CG1 3.59Å; F369-I400 HydrophobicContact CE2-CD1 4.19Å; F369-I400 HydrophobicContact CE2-CG1 3.62Å
370Q98.6Very high98.7Very high100 Ų10039 Ų3947%0.46720%0.196SC..Hα-helixtrans-64.9-40.5179.7-63-58.6-17.700111.8E366 H367 Q368 V372 M373 S374E366-Q370 HydrophobicContact CG-CG 4.31Å; E366-Q370 WeakPolarHBondContact O-CG 3.32Å; E366-Q370 PolarHBondContact O-N 2.89Å; H367-Q370 PolarHBondContact O-N 3.32Å; Q368-Q370 PolarHBondContact O-N 3.31Å; Q370-V372 PolarHBondContact O-N 2.99Å; Q370-M373 PolarHBondContact O-N 3.24Å; Q370-S374 PolarHBondContact O-N 3.47Å
371T98.6Very high98.7Very high35 Ų3548 Ų4822%0.21524%0.235CC..Hα-helixtrans-57.4-51.3175.9-64.40000110.9H367 Q368 F369 M373 S374 Y375H367-T371 WeakPolarHBondContact O-CB 3.48Å; H367-T371 PolarHBondContact O-N 3.02Å; H367-T371 PolarHBondContact O-OG1 3.37Å; Q368-T371 PolarHBondContact O-N 2.96Å; F369-T371 PolarHBondContact O-N 3.24Å; T371-M373 PolarHBondContact O-N 3.39Å; T371-S374 PolarHBondContact O-N 3Å; T371-S374 PolarHBondContact O-OG 3.44Å; T371-Y375 HydrophobicContact CG2-CD2 4.03Å; T371-Y375 HydrophobicContact CG2-CE2 3.76Å; T371-Y375 WeakPolarHBondContact O-CD2 3.47Å; T371-Y375 PolarHBondContact O-N 2.91Å; T371-Y375 VanDerWaalsContact O-N 3.11Å
372V98.9Very high98.7Very high0 Ų051.6 Ų51.60%025%0.251CS..Hα-helixtrans-62.8-42.81791760000111.5Q368 F369 Q370 S374 Y375 I376 I400 I419 V423Q368-V372 WeakPolarHBondContact O-CB 3.19Å; Q368-V372 VanDerWaalsContact O-CG2 3.23Å; Q368-V372 WeakPolarHBondContact O-CG2 3.49Å; Q368-V372 PolarHBondContact O-N 3.02Å; F369-V372 PolarHBondContact O-N 2.97Å; Q370-V372 PolarHBondContact O-N 2.99Å; V372-S374 VanDerWaalsContact C-N 3.32Å; V372-S374 PolarHBondContact O-N 3.15Å; V372-Y375 PolarHBondContact O-N 2.9Å; V372-I376 HydrophobicContact CG1-CD1 4.28Å; V372-I376 WeakPolarHBondContact O-CG1 3.33Å; V372-I376 PolarHBondContact O-N 3.43Å; V372-I400 HydrophobicContact CB-CD1 3.56Å; V372-I400 HydrophobicContact CG1-CD1 3.43Å; V372-I400 VanDerWaalsContact CG1-CD1 3.43Å; V372-I400 HydrophobicContact CG1-CG2 4.46Å; V372-I400 HydrophobicContact CG2-CD1 4.42Å; V372-I419 HydrophobicContact CB-CG2 4.4Å; V372-I419 HydrophobicContact CG1-CG2 4.05Å; V372-I419 HydrophobicContact CG2-CG2 4.16Å; V372-I419 WeakPolarHBondContact CG2-O 3.41Å; V372-V423 HydrophobicContact CG1-CG2 3.81Å
373M98.7Very high98.7Very high29 Ų2954.3 Ų54.314%0.14328%0.279CS..Hα-helixtrans-60.6-40.7176.9-72.1-58-58.100112F369 Q370 T371 Y375 I376 E377 I400F369-M373 HydrophobicContact CD1-CG 4.38Å; F369-M373 HydrophobicContact CE1-CG 4.01Å; F369-M373 HydrophobicContact CE2-CG 4.2Å; F369-M373 HydrophobicContact CZ-CG 3.91Å; F369-M373 HydrophobicContact CZ-SD 4.46Å; F369-M373 WeakPolarHBondContact O-CB 3.47Å; F369-M373 VanDerWaalsContact O-CG 3.28Å; F369-M373 WeakPolarHBondContact O-CG 3.3Å; F369-M373 PolarHBondContact O-N 2.97Å; Q370-M373 PolarHBondContact O-N 3.24Å; T371-M373 PolarHBondContact O-N 3.39Å; M373-Y375 VanDerWaalsContact C-N 3.34Å; M373-Y375 PolarHBondContact O-N 2.82Å; M373-I376 WeakPolarHBondContact O-CB 3.34Å; M373-I376 PolarHBondContact O-N 2.88Å; M373-I376 HydrophobicContact SD-CD1 4.05Å; M373-E377 PolarHBondContact O-N 2.7Å; M373-I400 HydrophobicContact CG-CD1 4.16Å; M373-I400 HydrophobicContact SD-CD1 4.15Å; M373-I400 HydrophobicContact SD-CG1 4.18Å; M373-I400 HydrophobicContact SD-CG2 4.26Å
374S98.7Very high98.7Very high60 Ų6054.7 Ų54.742%0.4228%0.282SS..Hα-helixtrans-65-34.9176.174.70000113.2Q370 T371 V372 E377 S378Q370-S374 PolarHBondContact O-N 3.47Å; T371-S374 PolarHBondContact O-N 3Å; T371-S374 PolarHBondContact O-OG 3.44Å; V372-S374 VanDerWaalsContact C-N 3.32Å; V372-S374 PolarHBondContact O-N 3.15Å; S374-E377 PolarHBondContact O-N 2.88Å; S374-S378 PolarHBondContact O-N 3.24Å
375Y98.9Very high98.6Very high39 Ų3960 Ų6015%0.15331%0.305CS..Hα-helixtrans-68.3-36.1172.8-81.4-59.8000112.6T371 V372 M373 E377 S378 G379 I414 E417 I419T371-Y375 HydrophobicContact CG2-CD2 4.03Å; T371-Y375 HydrophobicContact CG2-CE2 3.76Å; T371-Y375 WeakPolarHBondContact O-CD2 3.47Å; T371-Y375 PolarHBondContact O-N 2.91Å; T371-Y375 VanDerWaalsContact O-N 3.11Å; V372-Y375 PolarHBondContact O-N 2.9Å; M373-Y375 VanDerWaalsContact C-N 3.34Å; M373-Y375 PolarHBondContact O-N 2.82Å; Y375-E377 VanDerWaalsContact C-N 3.33Å; Y375-S378 PolarHBondContact O-N 3.28Å; Y375-G379 PolarHBondContact O-N 2.98Å; Y375-I414 WeakPolarHBondContact O-CG2 3.37Å; Y375-E417 HydrophobicContact CE1-CB 3.85Å; Y375-E417 VanDerWaalsContact CE1-OE2 3.26Å; Y375-E417 WeakPolarHBondContact CE1-OE2 3.28Å; Y375-E417 PolarHBondContact OH-OE2 3.42Å; Y375-I419 HydrophobicContact CD1-CG1 4.23Å; Y375-I419 HydrophobicContact CD2-CB 4.13Å; Y375-I419 HydrophobicContact CD2-CG1 3.99Å; Y375-I419 HydrophobicContact CD2-CG2 3.97Å; Y375-I419 HydrophobicContact CG-CB 4.4Å; Y375-I419 HydrophobicContact CG-CD1 4.3Å; Y375-I419 HydrophobicContact CG-CG1 3.81Å; Y375-I419 HydrophobicContact CG-CG2 4.24Å
376I98.9Very high98.7Very high1 Ų161.9 Ų61.91%0.00532%0.315CS..Hα-helixtrans-60.8-45.9172.8-69.2169.9000110V372 M373 G379 I380 I400 T403 F405 V423V372-I376 HydrophobicContact CG1-CD1 4.28Å; V372-I376 WeakPolarHBondContact O-CG1 3.33Å; V372-I376 PolarHBondContact O-N 3.43Å; M373-I376 WeakPolarHBondContact O-CB 3.34Å; M373-I376 PolarHBondContact O-N 2.88Å; M373-I376 HydrophobicContact SD-CD1 4.05Å; I376-G379 PolarHBondContact O-N 3.22Å; I376-I380 HydrophobicContact CG2-CD1 4.29Å; I376-I380 WeakPolarHBondContact O-CG1 3.46Å; I376-I380 PolarHBondContact O-N 3.39Å; I376-I380 VanDerWaalsContact O-N 3.16Å; I376-I400 HydrophobicContact CD1-CG2 3.84Å; I376-T403 HydrophobicContact CG1-CG2 4.39Å; I376-F405 HydrophobicContact CG2-CZ 4.37Å; I376-F405 WeakPolarHBondContact O-CZ 3.41Å; I376-V423 HydrophobicContact CD1-CG2 3.9Å; I376-V423 HydrophobicContact CG1-CG1 4.38Å; I376-V423 HydrophobicContact CG1-CG2 3.64Å
377E98.7Very high98.7Very high128 Ų12858.1 Ų58.160%0.59830%0.301SS*.Hα-helixtrans-62-43.7177.2-69.7178-178.800112.4M373 S374 Y375 G379 I380 K381M373-E377 PolarHBondContact O-N 2.7Å; S374-E377 PolarHBondContact O-N 2.88Å; Y375-E377 VanDerWaalsContact C-N 3.33Å; E377-G379 VanDerWaalsContact C-N 3.35Å; E377-G379 PolarHBondContact O-N 3.08Å; E377-I380 PolarHBondContact O-N 3.03Å; E377-K381 WeakPolarHBondContact O-CB 3.36Å; E377-K381 PolarHBondContact O-N 2.96Å
378S98.7Very high98.7Very high23 Ų2353.4 Ų53.416%0.16128%0.281CS..Hα-helixtrans-58.1-45.5173.8157.90000111.5S374 Y375 I380 K381 E382 S413S374-S378 PolarHBondContact O-N 3.24Å; Y375-S378 PolarHBondContact O-N 3.28Å; S378-I380 VanDerWaalsContact C-N 3.33Å; S378-I380 PolarHBondContact O-N 3.24Å; S378-K381 PolarHBondContact O-N 3.24Å; S378-K381 VanDerWaalsContact O-N 3.14Å; S378-E382 WeakPolarHBondContact O-CB 3.25Å; S378-E382 VanDerWaalsContact O-CG 3.31Å; S378-E382 WeakPolarHBondContact O-CG 3.4Å; S378-E382 PolarHBondContact O-N 2.95Å; S378-E382 VanDerWaalsContact OG-CD 3.3Å; S378-E382 PolarHBondContact OG-OE1 3.07Å; S378-S413 WeakPolarHBondContact OG-CB 3.33Å
379G98.8Very high98.7Very high0 Ų053 Ų530%028%0.284CS..Hα-helixtrans-56.5-44.8176.900000113Y375 I376 E377 G383 A384Y375-G379 PolarHBondContact O-N 2.98Å; I376-G379 PolarHBondContact O-N 3.22Å; E377-G379 VanDerWaalsContact C-N 3.35Å; E377-G379 PolarHBondContact O-N 3.08Å; G379-G383 PolarHBondContact O-N 3.12Å; G379-A384 VanDerWaalsContact O-CB 3.27Å; G379-A384 WeakPolarHBondContact O-CB 3.46Å; G379-A384 PolarHBondContact O-N 2.83Å
380I98.6Very high98.7Very high88 Ų8852.8 Ų52.845%0.45129%0.286SS..Hα-helixtrans-64.7-46.4175.9-63165.6000110.6I376 E377 S378 E382 G383 L386 F405I376-I380 HydrophobicContact CG2-CD1 4.29Å; I376-I380 WeakPolarHBondContact O-CG1 3.46Å; I376-I380 PolarHBondContact O-N 3.39Å; I376-I380 VanDerWaalsContact O-N 3.16Å; E377-I380 PolarHBondContact O-N 3.03Å; S378-I380 VanDerWaalsContact C-N 3.33Å; S378-I380 PolarHBondContact O-N 3.24Å; I380-E382 VanDerWaalsContact C-N 3.33Å; I380-E382 PolarHBondContact O-N 3.09Å; I380-G383 PolarHBondContact O-N 2.83Å; I380-L386 HydrophobicContact CD1-CD2 4.09Å; I380-L386 HydrophobicContact CG1-CD2 4.39Å; I380-F405 HydrophobicContact CG1-CE1 3.88Å; I380-F405 HydrophobicContact CG1-CZ 3.91Å
381K98.6Very high98.6Very high188 Ų18854.9 Ų54.982%0.81729%0.294SS*.Hα-helixtrans-65.9-34.7-176.5-174.7179.8178.3-1770112.9E377 S378 G383E377-K381 WeakPolarHBondContact O-CB 3.36Å; E377-K381 PolarHBondContact O-N 2.96Å; S378-K381 PolarHBondContact O-N 3.24Å; S378-K381 VanDerWaalsContact O-N 3.14Å; K381-G383 VanDerWaalsContact C-N 3.26Å
382E98.7Very high98.6Very high75 Ų7556.9 Ų56.935%0.3530%0.301SS..THydrogen-bonded Turntrans-84-0.8179.9-67.7171.4-165.400112.9S378 I380 M412 S413S378-E382 WeakPolarHBondContact O-CB 3.25Å; S378-E382 VanDerWaalsContact O-CG 3.31Å; S378-E382 WeakPolarHBondContact O-CG 3.4Å; S378-E382 PolarHBondContact O-N 2.95Å; S378-E382 VanDerWaalsContact OG-CD 3.3Å; S378-E382 PolarHBondContact OG-OE1 3.07Å; I380-E382 VanDerWaalsContact C-N 3.33Å; I380-E382 PolarHBondContact O-N 3.09Å; E382-M412 HydrophobicContact CB-CG 4.27Å; E382-M412 WeakPolarHBondContact OE2-CA 3.48Å; E382-M412 WeakPolarHBondContact OE2-CB 3.48Å; E382-S413 WeakPolarHBondContact OE1-CB 3.32Å; E382-S413 PolarHBondContact OE1-OG 3.11Å; E382-S413 PolarHBondContact OE2-N 3.14Å; E382-S413 PolarHBondContact OE2-OG 2.65Å
383G98.4Very high98.6Very high57 Ų5760 Ų6059%0.58831%0.314SS*.THydrogen-bonded Turntrans94.711.8170.200000115.4G379 I380 K381G379-G383 PolarHBondContact O-N 3.12Å; I380-G383 PolarHBondContact O-N 2.83Å; K381-G383 VanDerWaalsContact C-N 3.26Å
384A98.7Very high98.4Very high8 Ų861.3 Ų61.37%0.06634%0.335CS..  trans-66.7142.1171.100000110.8G379 L386 F405 V408 M412 I414G379-A384 VanDerWaalsContact O-CB 3.27Å; G379-A384 WeakPolarHBondContact O-CB 3.46Å; G379-A384 PolarHBondContact O-N 2.83Å; A384-L386 PolarHBondContact O-N 3.34Å; A384-F405 HydrophobicContact CB-CB 4.14Å; A384-F405 HydrophobicContact CB-CD1 3.54Å; A384-F405 HydrophobicContact CB-CE1 4.19Å; A384-F405 HydrophobicContact CB-CG 4.04Å; A384-V408 HydrophobicContact CB-CG2 4.27Å; A384-M412 HydrophobicContact CB-CE 4.27Å; A384-M412 HydrophobicContact CB-SD 3.8Å; A384-I414 HydrophobicContact CB-CD1 3.78Å
385K98.8Very high98Very high116 Ų11663.1 Ų63.150%0.50435%0.348SS..EExtended strand (participates in β ladder)trans-79.8103.7-178.5-178.1-176.4174.8-175.40110.8C387 F405 A406 D407K385-C387 PolarHBondContact O-N 3.33Å; K385-C387 VanDerWaalsContact O-N 3.16Å; K385-C387 PolarHBondContact O-SG 3.04Å; K385-C387 VanDerWaalsContact O-SG 3.33Å; K385-F405 WeakPolarHBondContact O-CA 3.35Å; K385-A406 HydrophobicContact CB-CB 4.39Å; K385-A406 WeakPolarHBondContact CB-O 3.44Å; K385-A406 HydrophobicContact CD-CB 4.48Å; K385-A406 PolarHBondContact N-O 3.3Å; K385-A406 PolarHBondContact O-N 3.3Å; K385-D407 HydrophobicContact CB-CB 4.46Å; K385-D407 WeakPolarHBondContact CD-OD2 3.37Å
386L98.8Very high97.7Very high70 Ų7066.7 Ų66.737%0.36637%0.37SS..EExtended strand (participates in β ladder)trans-67.5109.3172.7-177.865000110.6I380 A384 T388 T403 F405I380-L386 HydrophobicContact CD1-CD2 4.09Å; I380-L386 HydrophobicContact CG1-CD2 4.39Å; A384-L386 PolarHBondContact O-N 3.34Å; L386-T388 WeakPolarHBondContact CD1-O 3.36Å; L386-T403 HydrophobicContact CD1-CG2 3.67Å; L386-F405 HydrophobicContact CB-CD1 4.17Å; L386-F405 HydrophobicContact CB-CE1 3.77Å; L386-F405 HydrophobicContact CD1-CD1 4.34Å; L386-F405 HydrophobicContact CD1-CE1 3.86Å; L386-F405 HydrophobicContact CD1-CE2 4.42Å; L386-F405 HydrophobicContact CD1-CZ 3.9Å; L386-F405 HydrophobicContact CG-CE1 4.39Å
387C98.7Very high97.6Very high34 Ų3467.1 Ų67.123%0.2337%0.374CS..EExtended strand (participates in β ladder)trans-93.2-34.6-177.5-61.20000112.7S342 K385 V404 A406S342-C387 WeakPolarHBondContact OG-CB 3.35Å; K385-C387 PolarHBondContact O-N 3.33Å; K385-C387 VanDerWaalsContact O-N 3.16Å; K385-C387 PolarHBondContact O-SG 3.04Å; K385-C387 VanDerWaalsContact O-SG 3.33Å; C387-V404 HydrophobicContact CB-CB 4.38Å; C387-V404 HydrophobicContact CB-CG1 4.36Å; C387-V404 PolarHBondContact N-O 3.2Å; C387-A406 VanDerWaalsContact SG-CB 3.51Å
388T98.7Very high97.6Very high27 Ų2762.6 Ų62.617%0.16635%0.352CS..EExtended strand (participates in β ladder)trans-159.7166.9172-162.40000111.5A345 K346 L386 T403 V404A345-T388 HydrophobicContact CB-CG2 3.83Å; K346-T388 HydrophobicContact CG-CG2 4.36Å; K346-T388 VanDerWaalsContact CG-OG1 3.32Å; K346-T388 WeakPolarHBondContact CG-OG1 3.33Å; L386-T388 WeakPolarHBondContact CD1-O 3.36Å; T388-T403 WeakPolarHBondContact O-CA 3.13Å; T388-V404 HydrophobicContact CG2-CB 4.1Å; T388-V404 HydrophobicContact CG2-CG2 3.91Å; T388-V404 PolarHBondContact O-N 2.79Å; T388-V404 VanDerWaalsContact O-N 3.11Å
389G98.5Very high97.6Very high19 Ų1962.2 Ų62.220%0.19635%0.348CS..  trans75.6-129.6179.600000113.4P402G389-P402 WeakPolarHBondContact CA-O 3.42Å
390G98.2Very high97.6Very high11 Ų1162.2 Ų62.211%0.11335%0.348CS..  trans78.415176.100000115.3T403G390-T403 PolarHBondContact N-OG1 3.01Å
391K98Very high97.6Very high145 Ų14563.5 Ų63.563%0.6335%0.347SS*.SBendtrans-146.5160.4-173.8-61.2-174.3-178.9-177.30111.6R401K391-R401 WeakPolarHBondContact O-CB 3.42Å; K391-R401 WeakPolarHBondContact O-CG 3.33Å; K391-R401 PolarHBondContact O-N 3.08Å
392Q98Very high97.6Very high77 Ų7755 Ų5536%0.3631%0.311SS..BIsolated β-bridgetrans-58.3149.6164.5-173.5175.2-1.400111.3F369 F399F369-Q392 HydrophobicContact CE2-CB 4.25Å; F369-Q392 HydrophobicContact CE2-CG 3.86Å; F369-Q392 HydrophobicContact CZ-CB 3.98Å; F369-Q392 HydrophobicContact CZ-CG 3.75Å; Q392-F399 WeakPolarHBondContact CA-O 3.31Å; Q392-F399 WeakPolarHBondContact CG-O 3.49Å
393F98.2Very high97.6Very high64 Ų6451.4 Ų51.428%0.28129%0.294SS..  trans-107.6127169.2179.4-91.4000109.9V350 F399 R401V350-F393 HydrophobicContact CB-CD1 4.1Å; V350-F393 HydrophobicContact CB-CD2 4.37Å; V350-F393 HydrophobicContact CB-CE1 4.26Å; V350-F393 HydrophobicContact CB-CG 4.15Å; V350-F393 HydrophobicContact CB-CZ 4.47Å; V350-F393 HydrophobicContact CG1-CB 4.17Å; V350-F393 HydrophobicContact CG1-CD1 3.71Å; V350-F393 HydrophobicContact CG1-CE1 4.25Å; V350-F393 HydrophobicContact CG1-CG 3.92Å; V350-F393 WeakPolarHBondContact O-CE1 3.25Å; V350-F393 WeakPolarHBondContact O-CZ 3.47Å; F393-F399 HydrophobicContact CB-CB 3.94Å; F393-F399 HydrophobicContact CD1-CB 4.16Å; F393-F399 PolarHBondContact N-O 2.83Å; F393-F399 WeakPolarHBondContact O-CB 3.45Å; F393-R401 HydrophobicContact CB-CG 3.98Å; F393-R401 HydrophobicContact CD2-CG 4.35Å
394G94.9Very high97.7Very high57 Ų5748.7 Ų48.759%0.58827%0.266SS*.SBendtrans69-170.4-175.200000113.3
395S91.3Very high97.7Very high98 Ų9848.3 Ų48.369%0.68526%0.263SS*.SBendtrans-111.7-23.6176.658.30000113.7
396D91Very high97.7Very high114 Ų11442.9 Ų42.961%0.6124%0.24SC*.SBendtrans-109.5144-173-57.9-12.1000109.9F399D396-F399 VanDerWaalsContact O-CD2 3.28Å; D396-F399 WeakPolarHBondContact O-CD2 3.4Å; D396-F399 WeakPolarHBondContact O-CE2 3.4Å
397G97.3Very high97.7Very high10 Ų1042.5 Ų42.510%0.10324%0.238CC..SBendtrans68.6-178.5-176.400000113.7P61 F399P61-G397 WeakPolarHBondContact O-CA 3.44Å; G397-F399 PolarHBondContact O-N 2.91Å
398Y98.7Very high97.7Very high34 Ų3441 Ų4113%0.13323%0.227CC..SBendtrans-101.344.6-167.1-52.3-50.2000113I59 P61 Q363 E366 F369I59-Y398 HydrophobicContact CG2-CE2 4.43Å; P61-Y398 HydrophobicContact CB-CD2 3.62Å; P61-Y398 HydrophobicContact CB-CE2 4.13Å; P61-Y398 WeakPolarHBondContact O-CD2 3.42Å; P61-Y398 PolarHBondContact O-N 2.77Å; Q363-Y398 PolarHBondContact N-O 3.34Å; Q363-Y398 WeakPolarHBondContact O-CB 3.33Å; E366-Y398 HydrophobicContact CB-CD1 4.32Å; E366-Y398 HydrophobicContact CB-CE1 3.64Å; E366-Y398 HydrophobicContact CG-CE1 4.26Å; F369-Y398 HydrophobicContact CB-CD1 4.25Å; F369-Y398 HydrophobicContact CB-CG 4.36Å; F369-Y398 HydrophobicContact CG-CD1 4.44Å
399F98.8Very high97.7Very high14 Ų1443.8 Ų43.86%0.06124%0.239CC..  trans-85.8130.5-174.7-58.9-89.6000112.7A62 V350 G351 P362 Q392 F393 D396 G397A62-F399 HydrophobicContact CB-CE2 4.4Å; A62-F399 HydrophobicContact CB-CZ 3.84Å; A62-F399 WeakPolarHBondContact O-CE2 3.39Å; V350-F399 HydrophobicContact CG1-CB 4.07Å; V350-F399 HydrophobicContact CG1-CD1 3.77Å; V350-F399 HydrophobicContact CG1-CG 4.32Å; G351-F399 WeakPolarHBondContact O-CE1 3.49Å; P362-F399 HydrophobicContact CB-CD1 3.81Å; P362-F399 HydrophobicContact CB-CD2 4.18Å; P362-F399 HydrophobicContact CB-CE1 3.75Å; P362-F399 HydrophobicContact CB-CE2 4.13Å; P362-F399 HydrophobicContact CB-CG 4.03Å; P362-F399 HydrophobicContact CB-CZ 3.92Å; P362-F399 VanDerWaalsContact CD-CE1 3.41Å; P362-F399 HydrophobicContact CG-CE1 4.02Å; P362-F399 HydrophobicContact CG-CZ 4.08Å; P362-F399 VanDerWaalsContact N-CE1 3.28Å; Q392-F399 WeakPolarHBondContact CA-O 3.31Å; Q392-F399 WeakPolarHBondContact CG-O 3.49Å; F393-F399 HydrophobicContact CB-CB 3.94Å; F393-F399 HydrophobicContact CD1-CB 4.16Å; F393-F399 PolarHBondContact N-O 2.83Å; F393-F399 WeakPolarHBondContact O-CB 3.45Å; D396-F399 VanDerWaalsContact O-CD2 3.28Å; D396-F399 WeakPolarHBondContact O-CD2 3.4Å; D396-F399 WeakPolarHBondContact O-CE2 3.4Å; G397-F399 PolarHBondContact O-N 2.91Å
400I98.8Very high97.6Very high0 Ų045 Ų450%024%0.241CC..BIsolated β-bridgetrans-117.2137176.4-59.9178.7000109.2Q360 Q363 F369 V372 M373 I376 P422Q360-I400 PolarHBondContact NE2-O 2.92Å; Q363-I400 HydrophobicContact CG-CD1 3.72Å; Q363-I400 HydrophobicContact CG-CG1 4.16Å; F369-I400 HydrophobicContact CD2-CD1 3.8Å; F369-I400 HydrophobicContact CD2-CG1 3.59Å; F369-I400 HydrophobicContact CE2-CD1 4.19Å; F369-I400 HydrophobicContact CE2-CG1 3.62Å; V372-I400 HydrophobicContact CB-CD1 3.56Å; V372-I400 HydrophobicContact CG1-CD1 3.43Å; V372-I400 VanDerWaalsContact CG1-CD1 3.43Å; V372-I400 HydrophobicContact CG1-CG2 4.46Å; V372-I400 HydrophobicContact CG2-CD1 4.42Å; M373-I400 HydrophobicContact CG-CD1 4.16Å; M373-I400 HydrophobicContact SD-CD1 4.15Å; M373-I400 HydrophobicContact SD-CG1 4.18Å; M373-I400 HydrophobicContact SD-CG2 4.26Å; I376-I400 HydrophobicContact CD1-CG2 3.84Å; I400-P422 HydrophobicContact CB-CG 3.91Å; I400-P422 HydrophobicContact CG2-CG 3.95Å
401R98.7Very high97.6Very high115 Ų11550.6 Ų50.643%0.43426%0.264SS..  trans-65138.8175.6-71.1-172.8172.9-91.10.1110.5K391 F393 T403K391-R401 WeakPolarHBondContact O-CB 3.42Å; K391-R401 WeakPolarHBondContact O-CG 3.33Å; K391-R401 PolarHBondContact O-N 3.08Å; F393-R401 HydrophobicContact CB-CG 3.98Å; F393-R401 HydrophobicContact CD2-CG 4.35Å; R401-T403 PolarHBondContact O-N 3.34Å; R401-T403 PolarHBondContact O-OG1 2.81Å
402P98.8Very high97.7Very high10 Ų1044.4 Ų44.47%0.06524%0.238CC..  trans-51.6116169.8-23.231000109.7F314 A345 R348 V350 G389F314-P402 HydrophobicContact CD1-CB 4.19Å; F314-P402 HydrophobicContact CE1-CB 3.75Å; F314-P402 HydrophobicContact CZ-CB 4.18Å; A345-P402 HydrophobicContact CB-CB 4.16Å; R348-P402 HydrophobicContact CB-CG 3.94Å; R348-P402 HydrophobicContact CG-CG 4.13Å; V350-P402 HydrophobicContact CG2-CG 4.03Å; G389-P402 WeakPolarHBondContact CA-O 3.42Å
403T98.9Very high97.7Very high0 Ų041.7 Ų41.70%023%0.227CC..EExtended strand (participates in β ladder)trans-111.2134.1-170.3-60.70000109.5I376 L386 T388 G390 R401 F405 P422 V423 M424I376-T403 HydrophobicContact CG1-CG2 4.39Å; L386-T403 HydrophobicContact CD1-CG2 3.67Å; T388-T403 WeakPolarHBondContact O-CA 3.13Å; G390-T403 PolarHBondContact N-OG1 3.01Å; R401-T403 PolarHBondContact O-N 3.34Å; R401-T403 PolarHBondContact O-OG1 2.81Å; T403-F405 HydrophobicContact CG2-CD2 4.14Å; T403-F405 HydrophobicContact CG2-CE2 3.8Å; T403-F405 HydrophobicContact CG2-CZ 4.43Å; T403-P422 PolarHBondContact N-O 3.21Å; T403-V423 HydrophobicContact CG2-CG1 4.17Å; T403-V423 CarbonylContact O-C 3.49Å; T403-V423 WeakPolarHBondContact O-CA 3.38Å; T403-M424 PolarHBondContact O-N 2.68Å
404V98.9Very high97.7Very high0 Ų038.7 Ų38.70%021%0.214CC..EExtended strand (participates in β ladder)trans-125.8121.4176.9-178.60000109.4F314 A345 C387 T388 M424 I426F314-V404 HydrophobicContact CZ-CG2 4.18Å; A345-V404 HydrophobicContact CB-CG2 3.62Å; C387-V404 HydrophobicContact CB-CB 4.38Å; C387-V404 HydrophobicContact CB-CG1 4.36Å; C387-V404 PolarHBondContact N-O 3.2Å; T388-V404 HydrophobicContact CG2-CB 4.1Å; T388-V404 HydrophobicContact CG2-CG2 3.91Å; T388-V404 PolarHBondContact O-N 2.79Å; T388-V404 VanDerWaalsContact O-N 3.11Å; V404-M424 HydrophobicContact CB-CB 4.37Å; V404-M424 HydrophobicContact CG1-CB 4.32Å; V404-M424 HydrophobicContact CG1-CG 4.5Å; V404-M424 HydrophobicContact CG1-SD 4.33Å; V404-M424 HydrophobicContact CG2-CB 4.09Å; V404-M424 HydrophobicContact CG2-SD 4.26Å; V404-I426 HydrophobicContact CG1-CD1 3.63Å; V404-I426 HydrophobicContact CG1-CG1 4.26Å
405F99Very high97.9Very high0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-103.8131.3167.2-74-75.3000110.2I376 I380 A384 K385 L386 T403 V408 I414 V423 M424 I426I376-F405 HydrophobicContact CG2-CZ 4.37Å; I376-F405 WeakPolarHBondContact O-CZ 3.41Å; I380-F405 HydrophobicContact CG1-CE1 3.88Å; I380-F405 HydrophobicContact CG1-CZ 3.91Å; A384-F405 HydrophobicContact CB-CB 4.14Å; A384-F405 HydrophobicContact CB-CD1 3.54Å; A384-F405 HydrophobicContact CB-CE1 4.19Å; A384-F405 HydrophobicContact CB-CG 4.04Å; K385-F405 WeakPolarHBondContact O-CA 3.35Å; L386-F405 HydrophobicContact CB-CD1 4.17Å; L386-F405 HydrophobicContact CB-CE1 3.77Å; L386-F405 HydrophobicContact CD1-CD1 4.34Å; L386-F405 HydrophobicContact CD1-CE1 3.86Å; L386-F405 HydrophobicContact CD1-CE2 4.42Å; L386-F405 HydrophobicContact CD1-CZ 3.9Å; L386-F405 HydrophobicContact CG-CE1 4.39Å; T403-F405 HydrophobicContact CG2-CD2 4.14Å; T403-F405 HydrophobicContact CG2-CE2 3.8Å; T403-F405 HydrophobicContact CG2-CZ 4.43Å; F405-V408 HydrophobicContact CB-CG2 3.73Å; F405-I414 HydrophobicContact CB-CD1 4.02Å; F405-I414 HydrophobicContact CD1-CD1 4.49Å; F405-I414 HydrophobicContact CD2-CD1 3.84Å; F405-I414 HydrophobicContact CE2-CD1 4.42Å; F405-I414 HydrophobicContact CG-CD1 3.88Å; F405-V423 HydrophobicContact CD2-CG1 3.78Å; F405-V423 HydrophobicContact CE2-CG1 3.85Å; F405-M424 PolarHBondContact N-O 2.89Å; F405-I426 PolarHBondContact O-N 3.44Å
406A98.8Very high98.2Very high1 Ų137.4 Ų37.41%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-107.9170.8167.400000110.2V338 K385 C387 V408V338-A406 HydrophobicContact CB-CB 4.47Å; V338-A406 HydrophobicContact CG1-CB 3.68Å; V338-A406 HydrophobicContact CG2-CB 3.86Å; K385-A406 HydrophobicContact CB-CB 4.39Å; K385-A406 WeakPolarHBondContact CB-O 3.44Å; K385-A406 HydrophobicContact CD-CB 4.48Å; K385-A406 PolarHBondContact N-O 3.3Å; K385-A406 PolarHBondContact O-N 3.3Å; C387-A406 VanDerWaalsContact SG-CB 3.51Å; A406-V408 PolarHBondContact O-N 2.77Å
407D98.6Very high98.6Very high63 Ų6335.5 Ų35.534%0.33716%0.164SC..SBendtrans57.930.5178.7-54.6-39000112.1Y334 K385 Q409 I426Y334-D407 WeakPolarHBondContact CE1-OD1 3.29Å; Y334-D407 VanDerWaalsContact OH-CA 3.28Å; Y334-D407 WeakPolarHBondContact OH-CA 3.2Å; Y334-D407 PolarHBondContact OH-N 2.67Å; Y334-D407 PolarHBondContact OH-OD1 2.82Å; K385-D407 HydrophobicContact CB-CB 4.46Å; K385-D407 WeakPolarHBondContact CD-OD2 3.37Å; D407-Q409 PolarHBondContact O-NE2 2.67Å; D407-I426 PolarHBondContact N-O 2.81Å
408V98.9Very high98.6Very high1 Ų137 Ų371%0.00617%0.168CC..  trans-69.7131-179.6-176.40000109.6A384 F405 A406 M412 I414 A415 Q425 I426 M427A384-V408 HydrophobicContact CB-CG2 4.27Å; F405-V408 HydrophobicContact CB-CG2 3.73Å; A406-V408 PolarHBondContact O-N 2.77Å; V408-M412 HydrophobicContact CB-SD 4.35Å; V408-M412 HydrophobicContact CG1-CB 4.48Å; V408-M412 HydrophobicContact CG1-SD 3.87Å; V408-I414 HydrophobicContact CG1-CD1 4.15Å; V408-I414 HydrophobicContact CG1-CG1 4.09Å; V408-I414 HydrophobicContact CG2-CD1 4.03Å; V408-A415 HydrophobicContact CG1-CB 3.82Å; V408-Q425 HydrophobicContact CB-CB 4.34Å; V408-Q425 HydrophobicContact CG1-CB 4.19Å; V408-Q425 HydrophobicContact CG1-CG 4.34Å; V408-Q425 HydrophobicContact CG2-CB 3.98Å; V408-Q425 HydrophobicContact CG2-CG 4.32Å; V408-I426 PolarHBondContact N-O 3.4Å; V408-M427 HydrophobicContact CB-CE 4.44Å; V408-M427 HydrophobicContact CB-CG 4Å; V408-M427 HydrophobicContact CG1-CE 3.91Å; V408-M427 HydrophobicContact CG1-CG 4.42Å
409Q98.4Very high98.6Very high87 Ų8735.6 Ų35.641%0.40716%0.164SC..  trans-101.7155176.1-52.5-53.8-51.600111D407 E411 M412 A415D407-Q409 PolarHBondContact O-NE2 2.67Å; Q409-E411 WeakPolarHBondContact CB-OE2 3.43Å; Q409-E411 PolarHBondContact O-N 2.91Å; Q409-M412 HydrophobicContact CB-CE 4.03Å; Q409-M412 HydrophobicContact CB-CG 4.3Å; Q409-M412 HydrophobicContact CB-SD 4.36Å; Q409-M412 HydrophobicContact CG-CE 3.83Å; Q409-M412 PolarHBondContact N-SD 2.82Å; Q409-M412 WeakPolarHBondContact O-CB 3.33Å; Q409-M412 PolarHBondContact O-N 2.89Å; Q409-M412 VanDerWaalsContact O-N 3.16Å; Q409-A415 WeakPolarHBondContact O-CB 3.43Å
410D98.4Very high98.6Very high45 Ų4536.6 Ų36.624%0.24117%0.168CC..THydrogen-bonded Turntrans-67.5-24.6-170.1-63.5-14.9000113.1R416 M427 R438D410-R416 WeakPolarHBondContact O-CD 3.3Å; D410-R416 WeakPolarHBondContact O-CG 3.49Å; D410-M427 VanDerWaalsContact OD1-CE 3.22Å; D410-M427 WeakPolarHBondContact OD1-CE 3.49Å; D410-R438 IonicContact OD1-CZ 2.8Å; D410-R438 IonicContact OD1-NE 3.11Å; D410-R438 PolarHBondContact OD1-NE 3.36Å; D410-R438 IonicContact OD1-NH2 2.91Å; D410-R438 PolarHBondContact OD1-NH2 3.13Å; D410-R438 WeakPolarHBondContact OD2-CD 2.85Å; D410-R438 VanDerWaalsContact OD2-CG 3.26Å; D410-R438 WeakPolarHBondContact OD2-CG 3.19Å; D410-R438 IonicContact OD2-CZ 3.14Å; D410-R438 IonicContact OD2-NE 3.45Å; D410-R438 PolarHBondContact OD2-NE 3.31Å; D410-R438 IonicContact OD2-NH2 3.76Å
411E97.8Very high98.6Very high128 Ų12836.7 Ų36.760%0.59817%0.169SC*.THydrogen-bonded Turntrans-78.7-15.7177.764.1-87.3-15700114Q409 R416Q409-E411 WeakPolarHBondContact CB-OE2 3.43Å; Q409-E411 PolarHBondContact O-N 2.91Å; E411-R416 PolarHBondContact O-NE 2.91Å; E411-R416 PolarHBondContact O-NH2 2.78Å
412M98.7Very high98.6Very high15 Ų1531.2 Ų31.27%0.07415%0.149CC..SBendtrans-65.9143179.8-64.5175.1177.100110.6E382 A384 V408 Q409 I414 A415 R416E382-M412 HydrophobicContact CB-CG 4.27Å; E382-M412 WeakPolarHBondContact OE2-CA 3.48Å; E382-M412 WeakPolarHBondContact OE2-CB 3.48Å; A384-M412 HydrophobicContact CB-CE 4.27Å; A384-M412 HydrophobicContact CB-SD 3.8Å; V408-M412 HydrophobicContact CB-SD 4.35Å; V408-M412 HydrophobicContact CG1-CB 4.48Å; V408-M412 HydrophobicContact CG1-SD 3.87Å; Q409-M412 HydrophobicContact CB-CE 4.03Å; Q409-M412 HydrophobicContact CB-CG 4.3Å; Q409-M412 HydrophobicContact CB-SD 4.36Å; Q409-M412 HydrophobicContact CG-CE 3.83Å; Q409-M412 PolarHBondContact N-SD 2.82Å; Q409-M412 WeakPolarHBondContact O-CB 3.33Å; Q409-M412 PolarHBondContact O-N 2.89Å; Q409-M412 VanDerWaalsContact O-N 3.16Å; M412-I414 VanDerWaalsContact C-N 3.26Å; M412-I414 HydrophobicContact CB-CG1 4.06Å; M412-I414 PolarHBondContact O-N 3.23Å; M412-A415 HydrophobicContact CB-CB 4.31Å; M412-A415 WeakPolarHBondContact O-CA 3.39Å; M412-A415 WeakPolarHBondContact O-CB 3.43Å; M412-A415 PolarHBondContact O-N 3.49Å; M412-R416 PolarHBondContact O-N 3.29Å
413S98.4Very high98.6Very high20 Ų2030.8 Ų30.814%0.1415%0.146CC..Hα-helixtrans-58.5-41.4178.3-53.10000110.6S378 E382 A415 R416 E417S378-S413 WeakPolarHBondContact OG-CB 3.33Å; E382-S413 WeakPolarHBondContact OE1-CB 3.32Å; E382-S413 PolarHBondContact OE1-OG 3.11Å; E382-S413 PolarHBondContact OE2-N 3.14Å; E382-S413 PolarHBondContact OE2-OG 2.65Å; S413-A415 PolarHBondContact O-N 2.86Å; S413-A415 VanDerWaalsContact O-N 3.15Å; S413-R416 PolarHBondContact O-N 3.38Å; S413-R416 VanDerWaalsContact O-N 3.07Å; S413-E417 PolarHBondContact O-N 2.97Å
414I98.8Very high98.6Very high0 Ų030.8 Ų30.80%015%0.146CC..Hα-helixtrans-63.9-19.1175.665167.1000113.8K291 Y375 A384 F405 V408 M412 I419 Q425K291-I414 VanDerWaalsContact CE-O 3.23Å; K291-I414 WeakPolarHBondContact CE-O 3.33Å; K291-I414 PolarHBondContact NZ-O 3.03Å; Y375-I414 WeakPolarHBondContact O-CG2 3.37Å; A384-I414 HydrophobicContact CB-CD1 3.78Å; F405-I414 HydrophobicContact CB-CD1 4.02Å; F405-I414 HydrophobicContact CD1-CD1 4.49Å; F405-I414 HydrophobicContact CD2-CD1 3.84Å; F405-I414 HydrophobicContact CE2-CD1 4.42Å; F405-I414 HydrophobicContact CG-CD1 3.88Å; V408-I414 HydrophobicContact CG1-CD1 4.15Å; V408-I414 HydrophobicContact CG1-CG1 4.09Å; V408-I414 HydrophobicContact CG2-CD1 4.03Å; M412-I414 VanDerWaalsContact C-N 3.26Å; M412-I414 HydrophobicContact CB-CG1 4.06Å; M412-I414 PolarHBondContact O-N 3.23Å; I414-I419 HydrophobicContact CB-CD1 4.01Å; I414-I419 HydrophobicContact CG2-CD1 4Å; I414-Q425 HydrophobicContact CB-CG 4.3Å; I414-Q425 HydrophobicContact CD1-CG 4.15Å; I414-Q425 HydrophobicContact CG1-CG 4.25Å; I414-Q425 WeakPolarHBondContact O-CG 3.46Å; I414-Q425 PolarHBondContact O-NE2 3.29Å; I414-Q425 VanDerWaalsContact O-NE2 3.16Å
415A98.7Very high98.6Very high3 Ų330.9 Ų30.93%0.02515%0.146CC..Hα-helixtrans-88.8-26.1174.700000112.8K291 R326 V408 Q409 M412 S413 M427K291-A415 VanDerWaalsContact CE-O 3.26Å; K291-A415 WeakPolarHBondContact CE-O 3.45Å; K291-A415 WeakPolarHBondContact CG-O 3.33Å; R326-A415 VanDerWaalsContact CD-O 3.28Å; R326-A415 WeakPolarHBondContact CD-O 3.25Å; V408-A415 HydrophobicContact CG1-CB 3.82Å; Q409-A415 WeakPolarHBondContact O-CB 3.43Å; M412-A415 HydrophobicContact CB-CB 4.31Å; M412-A415 WeakPolarHBondContact O-CA 3.39Å; M412-A415 WeakPolarHBondContact O-CB 3.43Å; M412-A415 PolarHBondContact O-N 3.49Å; S413-A415 PolarHBondContact O-N 2.86Å; S413-A415 VanDerWaalsContact O-N 3.15Å; A415-M427 HydrophobicContact CB-CE 3.5Å
416R98.4Very high98.6Very high126 Ų12630.9 Ų30.948%0.47515%0.146SC..Hα-helixtrans-100.9-33.4-172.4-63.4-176.3-61.31742.9113.8D410 E411 M412 S413D410-R416 WeakPolarHBondContact O-CD 3.3Å; D410-R416 WeakPolarHBondContact O-CG 3.49Å; E411-R416 PolarHBondContact O-NE 2.91Å; E411-R416 PolarHBondContact O-NH2 2.78Å; M412-R416 PolarHBondContact O-N 3.29Å; S413-R416 PolarHBondContact O-N 3.38Å; S413-R416 VanDerWaalsContact O-N 3.07Å
417E98.3Very high98.6Very high73 Ų7330.8 Ų30.834%0.34115%0.146SC..SBendtrans-104.5146.4-170.4-60.4-179.3-159.400111.9K291 Y375 S413 I419K291-E417 VanDerWaalsContact CD-O 3.29Å; K291-E417 WeakPolarHBondContact CD-O 3.44Å; K291-E417 WeakPolarHBondContact CE-O 3.4Å; K291-E417 PolarHBondContact NZ-O 2.73Å; Y375-E417 HydrophobicContact CE1-CB 3.85Å; Y375-E417 VanDerWaalsContact CE1-OE2 3.26Å; Y375-E417 WeakPolarHBondContact CE1-OE2 3.28Å; Y375-E417 PolarHBondContact OH-OE2 3.42Å; S413-E417 PolarHBondContact O-N 2.97Å; E417-I419 PolarHBondContact O-N 2.96Å
418E98.6Very high98.6Very high41 Ų4130.6 Ų30.619%0.19214%0.142CC..  trans-73.2110.5176.2-177.2175-126.800109.6G289 G290 F420G289-E418 WeakPolarHBondContact CA-OE1 3.38Å; G289-E418 VanDerWaalsContact CA-OE2 3.23Å; G289-E418 WeakPolarHBondContact CA-OE2 3.49Å; G290-E418 PolarHBondContact N-OE1 3.38Å; E418-F420 HydrophobicContact CG-CB 4.36Å; E418-F420 HydrophobicContact CG-CD2 4.01Å
419I98.7Very high98.6Very high6 Ų630.6 Ų30.63%0.03114%0.142CC..  trans-78.3-37.1-179.6-60.3-175.7000111.3V372 Y375 I414 E417 G421 V423V372-I419 HydrophobicContact CB-CG2 4.4Å; V372-I419 HydrophobicContact CG1-CG2 4.05Å; V372-I419 HydrophobicContact CG2-CG2 4.16Å; V372-I419 WeakPolarHBondContact CG2-O 3.41Å; Y375-I419 HydrophobicContact CD1-CG1 4.23Å; Y375-I419 HydrophobicContact CD2-CB 4.13Å; Y375-I419 HydrophobicContact CD2-CG1 3.99Å; Y375-I419 HydrophobicContact CD2-CG2 3.97Å; Y375-I419 HydrophobicContact CG-CB 4.4Å; Y375-I419 HydrophobicContact CG-CD1 4.3Å; Y375-I419 HydrophobicContact CG-CG1 3.81Å; Y375-I419 HydrophobicContact CG-CG2 4.24Å; I414-I419 HydrophobicContact CB-CD1 4.01Å; I414-I419 HydrophobicContact CG2-CD1 4Å; E417-I419 PolarHBondContact O-N 2.96Å; I419-G421 VanDerWaalsContact C-N 3.32Å; I419-G421 PolarHBondContact O-N 2.99Å; I419-V423 HydrophobicContact CD1-CB 3.99Å; I419-V423 HydrophobicContact CD1-CG1 3.88Å; I419-V423 HydrophobicContact CG2-CB 4.22Å; I419-V423 HydrophobicContact CG2-CG2 4.04Å
420F98.7Very high98.6Very high34 Ų3434.2 Ų34.215%0.14915%0.152CC..  trans57.641.9-178.3-138.8-117.1000113.8W187 N188 G318 Q319 C320 E418W187-F420 AromaticContact CH2-CD1 3.37Å; W187-F420 HydrophobicContact CH2-CD1 3.37Å; W187-F420 AromaticContact CH2-CE1 3.25Å; W187-F420 HydrophobicContact CH2-CE1 3.25Å; W187-F420 AromaticContact CZ2-CD1 3.62Å; W187-F420 HydrophobicContact CZ2-CD1 3.62Å; W187-F420 AromaticContact CZ2-CE1 3.49Å; W187-F420 HydrophobicContact CZ2-CE1 3.49Å; W187-F420 VanDerWaalsContact CZ2-CE1 3.49Å; W187-F420 HydrophobicContact CZ3-CD1 4.36Å; W187-F420 AromaticContact CZ3-CE1 3.9Å; W187-F420 HydrophobicContact CZ3-CE1 3.9Å; N188-F420 HydrophobicContact CB-CE1 3.99Å; N188-F420 HydrophobicContact CB-CZ 3.99Å; G318-F420 CarbonylContact O-C 3.47Å; G318-F420 VanDerWaalsContact O-C 3.27Å; G318-F420 WeakPolarHBondContact O-CA 3.28Å; Q319-F420 VanDerWaalsContact C-CZ 3.42Å; Q319-F420 HydrophobicContact CB-CD1 3.86Å; Q319-F420 HydrophobicContact CB-CE1 3.7Å; Q319-F420 HydrophobicContact CB-CZ 4.25Å; Q319-F420 HydrophobicContact CG-CD1 4.25Å; Q319-F420 WeakPolarHBondContact O-CZ 3.32Å; C320-F420 VanDerWaalsContact C-CE2 3.43Å; E418-F420 HydrophobicContact CG-CB 4.36Å; E418-F420 HydrophobicContact CG-CD2 4.01Å
421G98.8Very high98.5Very high3 Ų334.8 Ų34.83%0.03116%0.159CC..SBendtrans-156177.1-178.800000112.4Q317 G318 I419 V423Q317-G421 CarbonylContact O-C 3.57Å; Q317-G421 VanDerWaalsContact O-CA 3.31Å; Q317-G421 WeakPolarHBondContact O-CA 3.24Å; G318-G421 PolarHBondContact O-N 3.44Å; I419-G421 VanDerWaalsContact C-N 3.32Å; I419-G421 PolarHBondContact O-N 2.99Å; G421-V423 PolarHBondContact O-N 2.87Å
422P98.8Very high98.4Very high0 Ų031.4 Ų31.40%014%0.144CC..SBendtrans-80.462-170.834.5-37.3000111.9F314 Q317 I400 T403F314-P422 HydrophobicContact CD1-CB 3.77Å; F314-P422 HydrophobicContact CE1-CB 4.12Å; F314-P422 WeakPolarHBondContact CE1-O 3.34Å; Q317-P422 VanDerWaalsContact O-CD 3.28Å; Q317-P422 WeakPolarHBondContact O-CD 3.44Å; I400-P422 HydrophobicContact CB-CG 3.91Å; I400-P422 HydrophobicContact CG2-CG 3.95Å; T403-P422 PolarHBondContact N-O 3.21Å
423V98.9Very high98.3Very high1 Ų136.7 Ų36.71%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-130.1109.1-174.1-173.80000110.3V372 I376 T403 F405 I419 G421 Q425V372-V423 HydrophobicContact CG1-CG2 3.81Å; I376-V423 HydrophobicContact CD1-CG2 3.9Å; I376-V423 HydrophobicContact CG1-CG1 4.38Å; I376-V423 HydrophobicContact CG1-CG2 3.64Å; T403-V423 HydrophobicContact CG2-CG1 4.17Å; T403-V423 CarbonylContact O-C 3.49Å; T403-V423 WeakPolarHBondContact O-CA 3.38Å; F405-V423 HydrophobicContact CD2-CG1 3.78Å; F405-V423 HydrophobicContact CE2-CG1 3.85Å; I419-V423 HydrophobicContact CD1-CB 3.99Å; I419-V423 HydrophobicContact CD1-CG1 3.88Å; I419-V423 HydrophobicContact CG2-CB 4.22Å; I419-V423 HydrophobicContact CG2-CG2 4.04Å; G421-V423 PolarHBondContact O-N 2.87Å; V423-Q425 PolarHBondContact O-NE2 3.13Å; V423-Q425 PolarHBondContact O-OE1 3.4Å
424M98.9Very high98.2Very high0 Ų038.3 Ų38.30%018%0.179CC..EExtended strand (participates in β ladder)trans-91.8139.6-175.8-170.1172-90.600111.8S309 L313 F314 I327 T403 V404 F405 I426S309-M424 WeakPolarHBondContact O-CE 3.21Å; L313-M424 HydrophobicContact CB-CE 4.12Å; L313-M424 HydrophobicContact CD2-CB 3.13Å; L313-M424 HydrophobicContact CD2-CE 3.76Å; L313-M424 HydrophobicContact CD2-CG 3.61Å; L313-M424 HydrophobicContact CD2-SD 4.45Å; F314-M424 HydrophobicContact CD2-CE 4.17Å; F314-M424 HydrophobicContact CE2-CE 3.54Å; F314-M424 HydrophobicContact CE2-SD 4.34Å; F314-M424 HydrophobicContact CZ-CB 4.09Å; F314-M424 HydrophobicContact CZ-CE 4.27Å; I327-M424 HydrophobicContact CD1-CE 3.61Å; I327-M424 HydrophobicContact CD1-CG 3.64Å; I327-M424 HydrophobicContact CD1-SD 3.77Å; T403-M424 PolarHBondContact O-N 2.68Å; V404-M424 HydrophobicContact CB-CB 4.37Å; V404-M424 HydrophobicContact CG1-CB 4.32Å; V404-M424 HydrophobicContact CG1-CG 4.5Å; V404-M424 HydrophobicContact CG1-SD 4.33Å; V404-M424 HydrophobicContact CG2-CB 4.09Å; V404-M424 HydrophobicContact CG2-SD 4.26Å; F405-M424 PolarHBondContact N-O 2.89Å; M424-I426 HydrophobicContact CG-CD1 4.47Å; M424-I426 HydrophobicContact CG-CG1 3.97Å; M424-I426 HydrophobicContact SD-CD1 4.03Å; M424-I426 HydrophobicContact SD-CG1 4.12Å
425Q98.9Very high98.2Very high1 Ų138.3 Ų38.31%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-121.2112.9177-61.479.2-1.200108.7S325 I327 V408 I414 V423S325-Q425 PolarHBondContact O-OE1 3.42Å; I327-Q425 WeakPolarHBondContact CB-O 3.3Å; I327-Q425 PolarHBondContact N-O 2.53Å; V408-Q425 HydrophobicContact CB-CB 4.34Å; V408-Q425 HydrophobicContact CG1-CB 4.19Å; V408-Q425 HydrophobicContact CG1-CG 4.34Å; V408-Q425 HydrophobicContact CG2-CB 3.98Å; V408-Q425 HydrophobicContact CG2-CG 4.32Å; I414-Q425 HydrophobicContact CB-CG 4.3Å; I414-Q425 HydrophobicContact CD1-CG 4.15Å; I414-Q425 HydrophobicContact CG1-CG 4.25Å; I414-Q425 WeakPolarHBondContact O-CG 3.46Å; I414-Q425 PolarHBondContact O-NE2 3.29Å; I414-Q425 VanDerWaalsContact O-NE2 3.16Å; V423-Q425 PolarHBondContact O-NE2 3.13Å; V423-Q425 PolarHBondContact O-OE1 3.4Å
426I98.9Very high98.1Very high0 Ų039.1 Ų39.10%018%0.182CC..EExtended strand (participates in β ladder)trans-106.6126.6177.7-48.7177.7000108.4V329 Y334 F337 V338 V404 F405 D407 V408 M424V329-I426 HydrophobicContact CG2-CG2 3.83Å; Y334-I426 HydrophobicContact CD2-CG2 4.44Å; Y334-I426 HydrophobicContact CE2-CG2 3.87Å; F337-I426 HydrophobicContact CD1-CD1 4.19Å; F337-I426 HydrophobicContact CD1-CG2 4.11Å; F337-I426 HydrophobicContact CE1-CD1 4.18Å; F337-I426 HydrophobicContact CE1-CG2 4.34Å; V338-I426 HydrophobicContact CG2-CB 4.36Å; V338-I426 HydrophobicContact CG2-CD1 4.17Å; V338-I426 HydrophobicContact CG2-CG2 3.92Å; V404-I426 HydrophobicContact CG1-CD1 3.63Å; V404-I426 HydrophobicContact CG1-CG1 4.26Å; F405-I426 PolarHBondContact O-N 3.44Å; D407-I426 PolarHBondContact N-O 2.81Å; V408-I426 PolarHBondContact N-O 3.4Å; M424-I426 HydrophobicContact CG-CD1 4.47Å; M424-I426 HydrophobicContact CG-CG1 3.97Å; M424-I426 HydrophobicContact SD-CD1 4.03Å; M424-I426 HydrophobicContact SD-CG1 4.12Å
427M98.9Very high98.1Very high0 Ų039.1 Ų39.10%019%0.187CC..EExtended strand (participates in β ladder)trans-125.4142-173.1-58.3172.1127.200108.7R326 I327 F328 V329 V408 D410 A415R326-M427 HydrophobicContact CB-SD 3.92Å; R326-M427 HydrophobicContact CG-SD 4.06Å; I327-M427 PolarHBondContact O-N 2.94Å; F328-M427 CarbonylContact C-O 3.32Å; F328-M427 WeakPolarHBondContact CA-O 3.37Å; F328-M427 HydrophobicContact CD1-CB 3.92Å; F328-M427 HydrophobicContact CD1-SD 4.26Å; F328-M427 HydrophobicContact CE1-CB 4.12Å; F328-M427 HydrophobicContact CE1-SD 3.66Å; F328-M427 HydrophobicContact CE2-SD 4.12Å; F328-M427 HydrophobicContact CZ-SD 3.58Å; F328-M427 VanDerWaalsContact CZ-SD 3.58Å; V329-M427 PolarHBondContact N-O 2.82Å; V408-M427 HydrophobicContact CB-CE 4.44Å; V408-M427 HydrophobicContact CB-CG 4Å; V408-M427 HydrophobicContact CG1-CE 3.91Å; V408-M427 HydrophobicContact CG1-CG 4.42Å; D410-M427 VanDerWaalsContact OD1-CE 3.22Å; D410-M427 WeakPolarHBondContact OD1-CE 3.49Å; A415-M427 HydrophobicContact CB-CE 3.5Å
428K98.6Very high98.1Very high58 Ų5837 Ų3725%0.25218%0.176SC..EExtended strand (participates in β ladder)trans-93.2142.2177.2-172.5176.3-71.2-173.50110.3V329 E331 Y334 R438V329-K428 WeakPolarHBondContact O-CA 3.46Å; E331-K428 HydrophobicContact CB-CD 4.03Å; E331-K428 HydrophobicContact CB-CG 3.96Å; E331-K428 HydrophobicContact CG-CD 3.83Å; E331-K428 HydrophobicContact CG-CG 4.34Å; Y334-K428 HydrophobicContact CD2-CB 3.64Å; Y334-K428 HydrophobicContact CD2-CG 4Å; Y334-K428 HydrophobicContact CE2-CB 3.7Å; Y334-K428 HydrophobicContact CG-CB 4.22Å; Y334-K428 HydrophobicContact CG-CD 4.33Å; Y334-K428 HydrophobicContact CG-CG 4.18Å; K428-R438 PolarHBondContact O-NH1 3.1Å
429F98.5Very high98.1Very high2 Ų235.1 Ų35.11%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-133157.616876.4-88.6000111.7I295 F297 F328 V329 E330 E331 L435I295-F429 HydrophobicContact CG2-CE1 4.38Å; I295-F429 HydrophobicContact CG2-CZ 4.4Å; F297-F429 HydrophobicContact CD1-CE2 4.14Å; F297-F429 AromaticContact CD1-CZ 3.77Å; F297-F429 HydrophobicContact CD1-CZ 3.77Å; F297-F429 AromaticContact CE1-CE2 3.76Å; F297-F429 HydrophobicContact CE1-CE2 3.76Å; F297-F429 AromaticContact CE1-CZ 3.69Å; F297-F429 HydrophobicContact CE1-CZ 3.69Å; F297-F429 HydrophobicContact CG-CZ 4.44Å; F297-F429 HydrophobicContact CZ-CZ 4.33Å; F328-F429 HydrophobicContact CB-CD1 3.8Å; F328-F429 HydrophobicContact CB-CE1 4.29Å; V329-F429 WeakPolarHBondContact O-CD1 3.3Å; V329-F429 PolarHBondContact O-N 3.47Å; E330-F429 HydrophobicContact CB-CE1 3.93Å; E330-F429 HydrophobicContact CB-CE2 4.14Å; E330-F429 HydrophobicContact CB-CZ 3.62Å; E330-F429 HydrophobicContact CG-CE2 4.17Å; E330-F429 HydrophobicContact CG-CZ 4.14Å; E331-F429 PolarHBondContact N-O 3.11Å; F429-L435 HydrophobicContact CB-CB 4.36Å; F429-L435 HydrophobicContact CB-CD1 4.34Å; F429-L435 HydrophobicContact CD1-CD1 3.95Å; F429-L435 HydrophobicContact CD2-CB 3.83Å; F429-L435 HydrophobicContact CD2-CD1 4.27Å; F429-L435 HydrophobicContact CD2-CD2 4.09Å; F429-L435 HydrophobicContact CD2-CG 4.29Å; F429-L435 HydrophobicContact CE1-CD1 4.26Å; F429-L435 HydrophobicContact CE1-CD2 4.45Å; F429-L435 HydrophobicContact CE2-CB 4.38Å; F429-L435 HydrophobicContact CE2-CD2 3.81Å; F429-L435 HydrophobicContact CE2-CG 4.49Å; F429-L435 HydrophobicContact CG-CB 4.14Å; F429-L435 HydrophobicContact CG-CD1 3.93Å; F429-L435 HydrophobicContact CG-CG 4.43Å; F429-L435 HydrophobicContact CZ-CD2 3.99Å
430R97.7Very high98.1Very high163 Ų16336.1 Ų36.162%0.61517%0.173SC*.  trans-121.5-26-174.9-58.2-173.4177.494.43.7115E331 E434E331-R430 HydrophobicContact CB-CG 4.35Å; E331-R430 VanDerWaalsContact CD-NE 3.34Å; E331-R430 IonicContact OE1-CZ 2.71Å; E331-R430 IonicContact OE1-NE 3.69Å; E331-R430 PolarHBondContact OE1-NE 3.48Å; E331-R430 IonicContact OE1-NH2 2.74Å; E331-R430 PolarHBondContact OE1-NH2 2.89Å; E331-R430 VanDerWaalsContact OE1-NH2 3.11Å; E331-R430 WeakPolarHBondContact OE2-CD 3.49Å; E331-R430 WeakPolarHBondContact OE2-CG 3.42Å; E331-R430 IonicContact OE2-NE 3.5Å; E331-R430 PolarHBondContact OE2-NE 3.47Å; E331-R430 VanDerWaalsContact OE2-NE 3.14Å; R430-E434 PolarHBondContact N-OE2 3.16Å
431S96.7Very high98.1Very high56 Ų5640.8 Ų40.839%0.39220%0.195SC..  trans-139.4158.7-179.769.20000111.8E434 L435S431-E434 WeakPolarHBondContact OG-CB 3.46Å; S431-E434 PolarHBondContact OG-N 3.43Å; S431-L435 VanDerWaalsContact O-CB 3.23Å; S431-L435 WeakPolarHBondContact O-CB 3.18Å; S431-L435 PolarHBondContact O-N 3.21Å
432L95.7Very high98.1Very high57 Ų5742 Ų4230%0.29820%0.202SC..Hα-helixtrans-63.4-43177.9-73.6172.7000112.2F297 L435 I436 V461F297-L432 HydrophobicContact CE1-CD2 3.46Å; F297-L432 VanDerWaalsContact CE1-CD2 3.46Å; F297-L432 HydrophobicContact CZ-CD2 3.39Å; L432-L435 HydrophobicContact CD2-CD2 4.45Å; L432-L435 WeakPolarHBondContact O-CB 3.4Å; L432-L435 PolarHBondContact O-N 2.62Å; L432-I436 WeakPolarHBondContact O-CB 3.21Å; L432-I436 VanDerWaalsContact O-CG1 3.31Å; L432-I436 WeakPolarHBondContact O-CG1 3.32Å; L432-I436 PolarHBondContact O-N 3.39Å; L432-V461 HydrophobicContact CD2-CG2 3.87Å
433D95.7Very high98Very high126 Ų12646.1 Ų46.167%0.67422%0.221SC*.Hα-helixtrans-65.1-45.1-178.5-66.6-21.6000111.6I436 H437D433-I436 PolarHBondContact O-N 3.42Å; D433-H437 WeakPolarHBondContact O-CB 3.48Å; D433-H437 PolarHBondContact O-N 2.93Å
434E97.4Very high98Very high55 Ų5547.1 Ų47.126%0.25723%0.225SC..Hα-helixtrans-58.2-50.4173.8-176.8-147.515200110.7R430 S431 I436 H437 R438R430-E434 PolarHBondContact N-OE2 3.16Å; S431-E434 WeakPolarHBondContact OG-CB 3.46Å; S431-E434 PolarHBondContact OG-N 3.43Å; E434-I436 PolarHBondContact O-N 3.46Å; E434-H437 PolarHBondContact O-N 2.83Å; E434-R438 HydrophobicContact CG-CG 4.45Å; E434-R438 WeakPolarHBondContact O-CB 3.35Å; E434-R438 VanDerWaalsContact O-CG 3.23Å; E434-R438 WeakPolarHBondContact O-CG 2.79Å; E434-R438 PolarHBondContact O-N 2.84Å; E434-R438 WeakPolarHBondContact OE1-CD 3.48Å; E434-R438 IonicContact OE1-CZ 2.73Å; E434-R438 IonicContact OE1-NE 2.72Å; E434-R438 IonicContact OE1-NH1 2.83Å; E434-R438 PolarHBondContact OE1-NH1 3Å
435L97.9Very high97.9Very high0 Ų047.4 Ų47.40%023%0.228CC..Hα-helixtrans-56.8-49.8179.7169.269.2000111.9I295 F297 F328 F429 S431 L432 H437 R438 A439I295-L435 HydrophobicContact CD1-CD1 4.06Å; I295-L435 HydrophobicContact CD1-CD2 4.18Å; I295-L435 HydrophobicContact CD1-CG 4.19Å; I295-L435 HydrophobicContact CG1-CD1 4Å; I295-L435 HydrophobicContact CG2-CD1 4.01Å; I295-L435 HydrophobicContact CG2-CD2 3.48Å; I295-L435 VanDerWaalsContact CG2-CD2 3.48Å; I295-L435 HydrophobicContact CG2-CG 4.28Å; F297-L435 HydrophobicContact CE1-CD2 4.12Å; F297-L435 HydrophobicContact CE2-CD2 4.4Å; F297-L435 HydrophobicContact CZ-CD2 3.6Å; F328-L435 HydrophobicContact CB-CD1 3.6Å; F328-L435 HydrophobicContact CD1-CD1 4.17Å; F328-L435 HydrophobicContact CD2-CD1 4.43Å; F328-L435 HydrophobicContact CG-CD1 3.83Å; F429-L435 HydrophobicContact CB-CB 4.36Å; F429-L435 HydrophobicContact CB-CD1 4.34Å; F429-L435 HydrophobicContact CD1-CD1 3.95Å; F429-L435 HydrophobicContact CD2-CB 3.83Å; F429-L435 HydrophobicContact CD2-CD1 4.27Å; F429-L435 HydrophobicContact CD2-CD2 4.09Å; F429-L435 HydrophobicContact CD2-CG 4.29Å; F429-L435 HydrophobicContact CE1-CD1 4.26Å; F429-L435 HydrophobicContact CE1-CD2 4.45Å; F429-L435 HydrophobicContact CE2-CB 4.38Å; F429-L435 HydrophobicContact CE2-CD2 3.81Å; F429-L435 HydrophobicContact CE2-CG 4.49Å; F429-L435 HydrophobicContact CG-CB 4.14Å; F429-L435 HydrophobicContact CG-CD1 3.93Å; F429-L435 HydrophobicContact CG-CG 4.43Å; F429-L435 HydrophobicContact CZ-CD2 3.99Å; S431-L435 VanDerWaalsContact O-CB 3.23Å; S431-L435 WeakPolarHBondContact O-CB 3.18Å; S431-L435 PolarHBondContact O-N 3.21Å; L432-L435 HydrophobicContact CD2-CD2 4.45Å; L432-L435 WeakPolarHBondContact O-CB 3.4Å; L432-L435 PolarHBondContact O-N 2.62Å; L435-H437 VanDerWaalsContact C-N 3.32Å; L435-H437 PolarHBondContact O-N 3.32Å; L435-R438 PolarHBondContact O-N 3.44Å; L435-A439 WeakPolarHBondContact O-CB 3.39Å; L435-A439 PolarHBondContact O-N 3.48Å
436I98.1Very high97.9Very high19 Ų1947.4 Ų47.410%0.09723%0.228CC..Hα-helixtrans-62.7-42.8-178.8-72.6166.8000110.3L432 D433 E434 N440 H464L432-I436 WeakPolarHBondContact O-CB 3.21Å; L432-I436 VanDerWaalsContact O-CG1 3.31Å; L432-I436 WeakPolarHBondContact O-CG1 3.32Å; L432-I436 PolarHBondContact O-N 3.39Å; D433-I436 PolarHBondContact O-N 3.42Å; E434-I436 PolarHBondContact O-N 3.46Å; I436-N440 WeakPolarHBondContact O-CB 3.44Å; I436-N440 PolarHBondContact O-N 3.49Å; I436-N440 VanDerWaalsContact O-N 3.12Å; I436-N440 PolarHBondContact O-ND2 2.92Å; I436-H464 HydrophobicContact CD1-CB 3.95Å; I436-H464 HydrophobicContact CG1-CB 4.25Å; I436-H464 HydrophobicContact CG2-CB 3.68Å
437H98.1Very high97.9Very high126 Ų12647.4 Ų47.458%0.58323%0.228SC*.Hα-helixtrans-59.8-52.2176.8-174.177.7000111D433 E434 L435 N440 H441D433-H437 WeakPolarHBondContact O-CB 3.48Å; D433-H437 PolarHBondContact O-N 2.93Å; E434-H437 PolarHBondContact O-N 2.83Å; L435-H437 VanDerWaalsContact C-N 3.32Å; L435-H437 PolarHBondContact O-N 3.32Å; H437-N440 CarbonylContact O-C 3.57Å; H437-N440 PolarHBondContact O-N 3.12Å; H437-H441 VanDerWaalsContact O-CB 3.31Å; H437-H441 WeakPolarHBondContact O-CB 2.94Å; H437-H441 PolarHBondContact O-N 3.25Å
438R98.5Very high97.9Very high28 Ų2847.4 Ų47.411%0.10623%0.228CC..Hα-helixtrans-66.6-41.4-177.6-65.5174.563.3-161.7-5.4112.8R326 F328 D410 K428 E434 L435 N440 H441R326-R438 PolarHBondContact NH1-O 3.04Å; F328-R438 HydrophobicContact CE1-CB 3.96Å; F328-R438 HydrophobicContact CZ-CB 4.2Å; D410-R438 IonicContact OD1-CZ 2.8Å; D410-R438 IonicContact OD1-NE 3.11Å; D410-R438 PolarHBondContact OD1-NE 3.36Å; D410-R438 IonicContact OD1-NH2 2.91Å; D410-R438 PolarHBondContact OD1-NH2 3.13Å; D410-R438 WeakPolarHBondContact OD2-CD 2.85Å; D410-R438 VanDerWaalsContact OD2-CG 3.26Å; D410-R438 WeakPolarHBondContact OD2-CG 3.19Å; D410-R438 IonicContact OD2-CZ 3.14Å; D410-R438 IonicContact OD2-NE 3.45Å; D410-R438 PolarHBondContact OD2-NE 3.31Å; D410-R438 IonicContact OD2-NH2 3.76Å; K428-R438 PolarHBondContact O-NH1 3.1Å; E434-R438 HydrophobicContact CG-CG 4.45Å; E434-R438 WeakPolarHBondContact O-CB 3.35Å; E434-R438 VanDerWaalsContact O-CG 3.23Å; E434-R438 WeakPolarHBondContact O-CG 2.79Å; E434-R438 PolarHBondContact O-N 2.84Å; E434-R438 WeakPolarHBondContact OE1-CD 3.48Å; E434-R438 IonicContact OE1-CZ 2.73Å; E434-R438 IonicContact OE1-NE 2.72Å; E434-R438 IonicContact OE1-NH1 2.83Å; E434-R438 PolarHBondContact OE1-NH1 3Å; L435-R438 PolarHBondContact O-N 3.44Å; R438-N440 VanDerWaalsContact C-N 3.26Å; R438-N440 PolarHBondContact O-N 3.34Å; R438-H441 PolarHBondContact O-N 3.02Å
439A98.4Very high97.9Very high3 Ų344.7 Ų44.73%0.02522%0.216CC..Hα-helixtrans-59.9-38.7175.900000111.4P293 I295 R326 L435 L465P293-A439 HydrophobicContact CB-CB 4.09Å; P293-A439 HydrophobicContact CG-CB 4.09Å; I295-A439 HydrophobicContact CD1-CB 4.48Å; R326-A439 PolarHBondContact NH2-O 3.42Å; L435-A439 WeakPolarHBondContact O-CB 3.39Å; L435-A439 PolarHBondContact O-N 3.48Å; A439-L465 HydrophobicContact CB-CD2 3.72Å
440N98.6Very high97.9Very high26 Ų2644.6 Ų44.614%0.13922%0.216CC..Hα-helixtrans-86.2-14.8177.8-73.5-37.5000114.7I436 H437 R438 T442 H464 Q466 K488I436-N440 WeakPolarHBondContact O-CB 3.44Å; I436-N440 PolarHBondContact O-N 3.49Å; I436-N440 VanDerWaalsContact O-N 3.12Å; I436-N440 PolarHBondContact O-ND2 2.92Å; H437-N440 CarbonylContact O-C 3.57Å; H437-N440 PolarHBondContact O-N 3.12Å; R438-N440 VanDerWaalsContact C-N 3.26Å; R438-N440 PolarHBondContact O-N 3.34Å; N440-T442 PolarHBondContact O-N 3.12Å; N440-H464 PolarHBondContact ND2-O 3.01Å; N440-Q466 WeakPolarHBondContact OD1-CB 3.38Å; N440-Q466 PolarHBondContact OD1-N 2.87Å; N440-K488 PolarHBondContact O-NZ 3.35Å
441H98.1Very high98Very high133 Ų13336.8 Ų36.862%0.61619%0.187SC*.  trans-75.463.9178.9-162.583.8000111.5H437 R438H437-H441 VanDerWaalsContact O-CB 3.31Å; H437-H441 WeakPolarHBondContact O-CB 2.94Å; H437-H441 PolarHBondContact O-N 3.25Å; R438-H441 PolarHBondContact O-N 3.02Å
442T97.9Very high98.1Very high29 Ų2934.2 Ų34.218%0.17817%0.169CC..SBendtrans-152.1152.9177178.20000109.1N440 Y444 K488N440-T442 PolarHBondContact O-N 3.12Å; T442-Y444 WeakPolarHBondContact CG2-O 3.36Å; T442-Y444 PolarHBondContact O-N 3.31Å; T442-Y444 PolarHBondContact OG1-N 3.22Å; T442-K488 PolarHBondContact O-NZ 3.23Å; T442-K488 VanDerWaalsContact O-NZ 3.08Å
443Q96.9Very high98.2Very high85 Ų8537.2 Ų37.240%0.39719%0.185SC..SBendtrans-72.3-17.8172.468-177.8-22.700112.8K488 F489Q443-K488 WeakPolarHBondContact O-CB 3.24Å; Q443-F489 HydrophobicContact CB-CD2 3.61Å; Q443-F489 HydrophobicContact CB-CE2 3.98Å; Q443-F489 HydrophobicContact CB-CG 4.4Å; Q443-F489 HydrophobicContact CG-CD2 4.05Å; Q443-F489 WeakPolarHBondContact O-CB 3.19Å; Q443-F489 PolarHBondContact O-N 2.81Å
444Y98.7Very high98.3Very high23 Ų2333.9 Ų33.99%0.0917%0.167CC..  trans-89.5166.8-179.3-61.4-68000112.4T266 G289 K291 T442 K488 S490T266-Y444 WeakPolarHBondContact OG1-CE1 3.49Å; G289-Y444 VanDerWaalsContact O-CD1 3.26Å; G289-Y444 WeakPolarHBondContact O-CD1 3.42Å; K291-Y444 HydrophobicContact CB-CD2 3.53Å; K291-Y444 HydrophobicContact CB-CE2 4.17Å; K291-Y444 HydrophobicContact CB-CG 4.25Å; T442-Y444 WeakPolarHBondContact CG2-O 3.36Å; T442-Y444 PolarHBondContact O-N 3.31Å; T442-Y444 PolarHBondContact OG1-N 3.22Å; Y444-K488 WeakPolarHBondContact O-CD 3.33Å; Y444-S490 WeakPolarHBondContact CA-OG 3.48Å; Y444-S490 WeakPolarHBondContact CB-OG 3.39Å
445G98.6Very high98.3Very high6 Ų637.4 Ų37.46%0.06219%0.187CC..  trans-170.546.3177.100000112.4T467 G468 Y487 S490G445-T467 CarbonylContact O-C 3.54Å; G445-T467 WeakPolarHBondContact O-CA 3.47Å; G445-T467 PolarHBondContact O-OG1 2.77Å; G445-G468 PolarHBondContact O-N 3.37Å; G445-Y487 WeakPolarHBondContact O-CB 3.36Å; G445-Y487 PolarHBondContact O-N 3.2Å; G445-S490 PolarHBondContact N-OG 3.06Å
446L98.7Very high98.3Very high1 Ų144.9 Ų44.91%0.00522%0.222CC..SBendtrans-79.1-61.3-176.2-168.458000113C321 C322 T467 G468 T469 F484 S490C321-L446 VanDerWaalsContact C-CD2 3.44Å; C321-L446 HydrophobicContact CB-CD2 3.52Å; C321-L446 WeakPolarHBondContact O-CD2 3.38Å; C321-L446 VanDerWaalsContact SG-CD2 3.59Å; C322-L446 HydrophobicContact CB-CD2 4.24Å; L446-T467 PolarHBondContact N-OG1 2.72Å; L446-T467 PolarHBondContact O-OG1 3.14Å; L446-G468 VanDerWaalsContact O-CA 3.27Å; L446-G468 WeakPolarHBondContact O-CA 3.19Å; L446-G468 PolarHBondContact O-N 3.17Å; L446-G468 VanDerWaalsContact O-N 3.08Å; L446-T469 PolarHBondContact O-N 3.29Å; L446-F484 HydrophobicContact CD1-CE1 3.74Å; L446-F484 HydrophobicContact CD1-CE2 4.45Å; L446-F484 HydrophobicContact CD1-CZ 3.69Å; L446-F484 HydrophobicContact CD2-CE1 4.13Å; L446-F484 HydrophobicContact CD2-CZ 3.7Å; L446-F484 HydrophobicContact CG-CE1 4.12Å; L446-F484 HydrophobicContact CG-CE2 4.3Å; L446-F484 HydrophobicContact CG-CZ 3.59Å; L446-S490 PolarHBondContact N-OG 2.66Å
447A98.8Very high98.3Very high0 Ų046.1 Ų46.10%023%0.227CC..EExtended strand (participates in β ladder)trans-136.7174.217800000111.8S292 P293 C322 T467 T469 W471S292-A447 VanDerWaalsContact CB-O 3.24Å; S292-A447 WeakPolarHBondContact CB-O 3.43Å; S292-A447 PolarHBondContact OG-N 3.45Å; S292-A447 PolarHBondContact OG-O 3.34Å; P293-A447 WeakPolarHBondContact CD-O 3.47Å; C322-A447 HydrophobicContact CB-CB 3.8Å; A447-T467 WeakPolarHBondContact CA-OG1 3.29Å; A447-T467 PolarHBondContact N-OG1 2.83Å; A447-T467 PolarHBondContact O-OG1 3.02Å; A447-T469 CarbonylContact C-O 3.5Å; A447-T469 WeakPolarHBondContact CA-O 3.5Å; A447-W471 HydrophobicContact CB-CE3 4.27Å; A447-W471 HydrophobicContact CB-CH2 3.82Å; A447-W471 HydrophobicContact CB-CZ3 3.51Å
448A98.8Very high98.3Very high0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-155.9164.4165.200000110.7P293 L465 T467 T469 V470 W471P293-A448 HydrophobicContact CG-CB 3.82Å; P293-A448 CarbonylContact O-C 3.4Å; P293-A448 WeakPolarHBondContact O-CA 3.45Å; P293-A448 WeakPolarHBondContact O-CB 3.2Å; A448-L465 HydrophobicContact CB-CD1 3.66Å; A448-T467 HydrophobicContact CB-CG2 3.77Å; A448-T469 PolarHBondContact N-O 3.24Å; A448-V470 WeakPolarHBondContact O-CA 3.46Å; A448-W471 PolarHBondContact O-N 2.95Å
449G98.6Very high98.3Very high0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-132.1150.3172.300000112.6P293 I295 W471P293-G449 PolarHBondContact O-N 2.95Å; I295-G449 PolarHBondContact N-O 3.47Å; G449-W471 CarbonylContact C-O 3.55Å; G449-W471 VanDerWaalsContact CA-O 3.25Å; G449-W471 WeakPolarHBondContact CA-O 3.45Å
450I98.7Very high98.2Very high0 Ų046.7 Ų46.70%023%0.232CC..EExtended strand (participates in β ladder)trans-134.4125.3178.9-52.9167.8000109.1I295 F297 T452 V461 M462 L465 V470 W471 I472 N473I295-I450 CarbonylContact O-C 3.27Å; I295-I450 WeakPolarHBondContact O-CA 3.25Å; F297-I450 HydrophobicContact CD2-CG2 4.24Å; F297-I450 HydrophobicContact CE2-CG2 3.98Å; I450-T452 HydrophobicContact CG2-CG2 4Å; I450-V461 HydrophobicContact CD1-CB 3.93Å; I450-V461 HydrophobicContact CD1-CG1 3.7Å; I450-V461 HydrophobicContact CG1-CG1 4.07Å; I450-M462 HydrophobicContact CD1-CB 3.96Å; I450-L465 HydrophobicContact CD1-CD1 4.06Å; I450-L465 HydrophobicContact CG1-CD1 4.21Å; I450-V470 HydrophobicContact CD1-CG1 3.65Å; I450-V470 HydrophobicContact CG1-CG1 4.1Å; I450-W471 PolarHBondContact N-O 2.88Å; I450-I472 CarbonylContact O-C 3.55Å; I450-I472 WeakPolarHBondContact O-CA 3.5Å; I450-N473 PolarHBondContact O-N 2.79Å
451F98.7Very high98.2Very high0 Ų045.5 Ų45.50%023%0.225CC..EExtended strand (participates in β ladder)trans-115110.3174.3-79.5-100.5000110.1L294 I295 I296 F297 R304 A305 A308 N473L294-F451 HydrophobicContact CD1-CD2 3.62Å; L294-F451 HydrophobicContact CD1-CE2 3.66Å; I295-F451 PolarHBondContact O-N 3.13Å; I296-F451 HydrophobicContact CD1-CB 3.86Å; I296-F451 HydrophobicContact CD1-CD2 3.71Å; I296-F451 HydrophobicContact CD1-CG 3.94Å; F297-F451 WeakPolarHBondContact CB-O 3.39Å; F297-F451 PolarHBondContact N-O 2.83Å; R304-F451 HydrophobicContact CB-CE1 4.46Å; R304-F451 HydrophobicContact CG-CE1 4.03Å; A305-F451 HydrophobicContact CB-CB 4.16Å; A305-F451 HydrophobicContact CB-CD1 3.86Å; A305-F451 HydrophobicContact CB-CG 4.01Å; A308-F451 HydrophobicContact CB-CE1 3.86Å; A308-F451 HydrophobicContact CB-CE2 3.78Å; A308-F451 HydrophobicContact CB-CZ 3.14Å; F451-N473 WeakPolarHBondContact CA-OD1 3.4Å; F451-N473 VanDerWaalsContact CZ-C 3.47Å
452T98.6Very high98.2Very high2 Ų242.2 Ų42.21%0.01221%0.211CC..  trans-161.5148.7178.8-178.30000109.9F297 D299 I450 N454 K457 A458 N473F297-T452 HydrophobicContact CD2-CG2 4.29Å; D299-T452 VanDerWaalsContact CG-OG1 3.29Å; D299-T452 WeakPolarHBondContact OD1-CA 3.29Å; D299-T452 WeakPolarHBondContact OD1-CB 3.46Å; D299-T452 PolarHBondContact OD1-OG1 3.22Å; D299-T452 PolarHBondContact OD2-OG1 3.27Å; I450-T452 HydrophobicContact CG2-CG2 4Å; T452-N454 WeakPolarHBondContact CG2-O 3.15Å; T452-N454 WeakPolarHBondContact OG1-CB 3.26Å; T452-N454 PolarHBondContact OG1-N 2.99Å; T452-K457 HydrophobicContact CG2-CB 4.31Å; T452-A458 HydrophobicContact CG2-CB 3.71Å; T452-N473 PolarHBondContact N-OD1 2.81Å; T452-N473 PolarHBondContact O-ND2 3.42Å; T452-N473 PolarHBondContact O-OD1 3.23Å
453N98.3Very high98.2Very high120 Ų12048.2 Ų48.264%0.64224%0.237SC*.SBendtrans-91.80.2167.8-71.3-43.4000112.7D299D299-N453 VanDerWaalsContact O-CB 3.3Å; D299-N453 WeakPolarHBondContact O-CB 3.15Å; D299-N453 VanDerWaalsContact O-CG 3.31Å; D299-N453 PolarHBondContact O-N 3.08Å; D299-N453 PolarHBondContact O-ND2 3.22Å
454N98.3Very high98.3Very high55 Ų5548 Ų4829%0.29424%0.236SC..  trans-95.8114178.8-176.4-42.4000110.7D299 T452 E456 K457 A458D299-N454 WeakPolarHBondContact OD2-CB 3.29Å; T452-N454 WeakPolarHBondContact CG2-O 3.15Å; T452-N454 WeakPolarHBondContact OG1-CB 3.26Å; T452-N454 PolarHBondContact OG1-N 2.99Å; N454-E456 PolarHBondContact O-N 2.81Å; N454-E456 WeakPolarHBondContact OD1-CA 3.37Å; N454-E456 WeakPolarHBondContact OD1-CB 3.28Å; N454-E456 PolarHBondContact OD1-N 3.25Å; N454-K457 HydrophobicContact CB-CB 4.06Å; N454-K457 HydrophobicContact CB-CD 3.96Å; N454-K457 HydrophobicContact CB-CG 3.98Å; N454-K457 PolarHBondContact O-N 2.81Å; N454-K457 PolarHBondContact OD1-N 3.31Å; N454-A458 PolarHBondContact O-N 3.43Å
455L97.9Very high98.3Very high129 Ų12947.5 Ų47.568%0.67524%0.235SC*.Hα-helixtrans-59.8-43.1180178.663000112.5A458 M459L455-A458 PolarHBondContact O-N 3.06Å; L455-M459 HydrophobicContact CD1-CG 3.86Å; L455-M459 HydrophobicContact CD1-SD 4.36Å; L455-M459 HydrophobicContact CG-CG 4.27Å; L455-M459 WeakPolarHBondContact O-CB 3.41Å; L455-M459 VanDerWaalsContact O-CG 3.27Å; L455-M459 WeakPolarHBondContact O-CG 3.42Å; L455-M459 PolarHBondContact O-N 3.48Å
456E97.9Very high98.2Very high157 Ų15751.7 Ų51.773%0.73425%0.253SS*.Hα-helixtrans-64.3-43.5-178.8-63.5179.8-178.600111N454 M459 H460N454-E456 PolarHBondContact O-N 2.81Å; N454-E456 WeakPolarHBondContact OD1-CA 3.37Å; N454-E456 WeakPolarHBondContact OD1-CB 3.28Å; N454-E456 PolarHBondContact OD1-N 3.25Å; E456-M459 PolarHBondContact O-N 2.84Å; E456-H460 WeakPolarHBondContact O-CB 3.3Å; E456-H460 PolarHBondContact O-N 3.09Å
457K96.6Very high98.2Very high46 Ų4652.2 Ų52.220%0.226%0.256CS..Hα-helixtrans-59.8-47.7173.6-70.9-175.3-172.1167.60111.2F297 D299 T452 N454 M459 H460 V461F297-K457 HydrophobicContact CD1-CD 4.05Å; F297-K457 HydrophobicContact CE1-CD 4.21Å; F297-K457 HydrophobicContact CG-CD 4.31Å; D299-K457 IonicContact OD2-NZ 2.65Å; D299-K457 PolarHBondContact OD2-NZ 2.92Å; T452-K457 HydrophobicContact CG2-CB 4.31Å; N454-K457 HydrophobicContact CB-CB 4.06Å; N454-K457 HydrophobicContact CB-CD 3.96Å; N454-K457 HydrophobicContact CB-CG 3.98Å; N454-K457 PolarHBondContact O-N 2.81Å; N454-K457 PolarHBondContact OD1-N 3.31Å; K457-M459 PolarHBondContact O-N 2.82Å; K457-H460 PolarHBondContact O-N 2.73Å; K457-V461 WeakPolarHBondContact O-CB 3.25Å; K457-V461 VanDerWaalsContact O-CG2 3.29Å; K457-V461 WeakPolarHBondContact O-CG2 3.46Å; K457-V461 PolarHBondContact O-N 2.86Å
458A98Very high98.2Very high5 Ų553.2 Ų53.24%0.04127%0.267CS..Hα-helixtrans-58.5-50.5-179.600000111.4T452 N454 L455 M462 I472T452-A458 HydrophobicContact CG2-CB 3.71Å; N454-A458 PolarHBondContact O-N 3.43Å; L455-A458 PolarHBondContact O-N 3.06Å; A458-M462 WeakPolarHBondContact O-CB 3.44Å; A458-M462 PolarHBondContact O-N 3.41Å; A458-I472 HydrophobicContact CB-CD1 4.33Å; A458-I472 HydrophobicContact CB-CG2 4.08Å
459M98.2Very high98.2Very high94 Ų9454.5 Ų54.546%0.46327%0.274SS..Hα-helixtrans-66.3-43.1-179.2-65.7-54.4-64.300112.1L455 E456 K457 M462 Q463L455-M459 HydrophobicContact CD1-CG 3.86Å; L455-M459 HydrophobicContact CD1-SD 4.36Å; L455-M459 HydrophobicContact CG-CG 4.27Å; L455-M459 WeakPolarHBondContact O-CB 3.41Å; L455-M459 VanDerWaalsContact O-CG 3.27Å; L455-M459 WeakPolarHBondContact O-CG 3.42Å; L455-M459 PolarHBondContact O-N 3.48Å; E456-M459 PolarHBondContact O-N 2.84Å; K457-M459 PolarHBondContact O-N 2.82Å; M459-M462 HydrophobicContact CE-CE 3.58Å; M459-M462 HydrophobicContact SD-CE 4.07Å; M459-Q463 WeakPolarHBondContact O-CB 3.25Å; M459-Q463 PolarHBondContact O-N 3.41Å
460H97.8Very high98.2Very high70 Ų7056.4 Ų56.432%0.32429%0.286SS..Hα-helixtrans-61.9-53.3178.8-177.384.1000110.9E456 K457 M462 Q463 H464E456-H460 WeakPolarHBondContact O-CB 3.3Å; E456-H460 PolarHBondContact O-N 3.09Å; K457-H460 PolarHBondContact O-N 2.73Å; H460-M462 PolarHBondContact O-N 3.46Å; H460-Q463 PolarHBondContact O-N 3.15Å; H460-H464 AromaticContact CE1-CE1 3.31Å; H460-H464 PolarHBondContact CE1-CE1 3.47Å; H460-H464 AromaticContact CE1-ND1 3.81Å; H460-H464 AromaticContact ND1-CE1 3.58Å; H460-H464 AromaticContact ND1-ND1 3.95Å; H460-H464 AromaticContact NE2-CE1 3.75Å; H460-H464 AromaticContact NE2-ND1 3.85Å; H460-H464 PolarHBondContact O-N 2.9Å; H460-H464 PolarHBondContact O-ND1 3.01Å
461V98.2Very high98.2Very high0 Ų057.1 Ų57.10%029%0.288CS..Hα-helixtrans-64-46.2-178.9176.30000110.6I295 F297 L432 I450 K457 Q463 H464 L465I295-V461 HydrophobicContact CD1-CG1 3.63Å; F297-V461 HydrophobicContact CE2-CG2 4.2Å; F297-V461 HydrophobicContact CZ-CG2 3.93Å; L432-V461 HydrophobicContact CD2-CG2 3.87Å; I450-V461 HydrophobicContact CD1-CB 3.93Å; I450-V461 HydrophobicContact CD1-CG1 3.7Å; I450-V461 HydrophobicContact CG1-CG1 4.07Å; K457-V461 WeakPolarHBondContact O-CB 3.25Å; K457-V461 VanDerWaalsContact O-CG2 3.29Å; K457-V461 WeakPolarHBondContact O-CG2 3.46Å; K457-V461 PolarHBondContact O-N 2.86Å; V461-Q463 VanDerWaalsContact C-N 3.28Å; V461-Q463 PolarHBondContact O-N 2.83Å; V461-H464 PolarHBondContact O-N 3.28Å; V461-L465 HydrophobicContact CG1-CD1 4.02Å; V461-L465 HydrophobicContact CG1-CG 4.11Å; V461-L465 WeakPolarHBondContact O-CG 3.35Å; V461-L465 PolarHBondContact O-N 3.17Å
462M97.8Very high98.2Very high64 Ų6460 Ų6032%0.31530%0.303SS..Hα-helixtrans-53.4-45.1177.8178.3-163.470.600112I450 A458 M459 H460 H464 L465 V470 I472I450-M462 HydrophobicContact CD1-CB 3.96Å; A458-M462 WeakPolarHBondContact O-CB 3.44Å; A458-M462 PolarHBondContact O-N 3.41Å; M459-M462 HydrophobicContact CE-CE 3.58Å; M459-M462 HydrophobicContact SD-CE 4.07Å; H460-M462 PolarHBondContact O-N 3.46Å; M462-H464 VanDerWaalsContact C-N 3.27Å; M462-H464 PolarHBondContact O-N 3.08Å; M462-L465 PolarHBondContact O-N 3.08Å; M462-V470 HydrophobicContact CB-CG1 4.17Å; M462-V470 HydrophobicContact CG-CB 4.01Å; M462-V470 HydrophobicContact CG-CG1 3.89Å; M462-V470 HydrophobicContact CG-CG2 4.25Å; M462-I472 HydrophobicContact CB-CD1 4.45Å; M462-I472 HydrophobicContact SD-CD1 3.97Å
463Q97.9Very high98.2Very high155 Ų15561.5 Ų61.572%0.72431%0.311SS*.Hα-helixtrans-66-29.6-179.1-172.9175.619.300113M459 H460 V461M459-Q463 WeakPolarHBondContact O-CB 3.25Å; M459-Q463 PolarHBondContact O-N 3.41Å; H460-Q463 PolarHBondContact O-N 3.15Å; V461-Q463 VanDerWaalsContact C-N 3.28Å; V461-Q463 PolarHBondContact O-N 2.83Å
464H98.3Very high98.2Very high81 Ų8157.5 Ų57.538%0.37529%0.292SS..Hα-helixtrans-90.9-16.7-177.5-69.182.7000113.5I436 N440 H460 V461 M462 Q466I436-H464 HydrophobicContact CD1-CB 3.95Å; I436-H464 HydrophobicContact CG1-CB 4.25Å; I436-H464 HydrophobicContact CG2-CB 3.68Å; N440-H464 PolarHBondContact ND2-O 3.01Å; H460-H464 AromaticContact CE1-CE1 3.31Å; H460-H464 PolarHBondContact CE1-CE1 3.47Å; H460-H464 AromaticContact CE1-ND1 3.81Å; H460-H464 AromaticContact ND1-CE1 3.58Å; H460-H464 AromaticContact ND1-ND1 3.95Å; H460-H464 AromaticContact NE2-CE1 3.75Å; H460-H464 AromaticContact NE2-ND1 3.85Å; H460-H464 PolarHBondContact O-N 2.9Å; H460-H464 PolarHBondContact O-ND1 3.01Å; V461-H464 PolarHBondContact O-N 3.28Å; M462-H464 VanDerWaalsContact C-N 3.27Å; M462-H464 PolarHBondContact O-N 3.08Å; H464-Q466 PolarHBondContact O-N 3.26Å
465L98.5Very high98.2Very high13 Ų1355.4 Ų55.47%0.06828%0.28CS..  trans-70.5127.7176.4-70.2175.8000111.3I295 A439 A448 I450 V461 M462 T467 V470I295-L465 HydrophobicContact CD1-CD1 4.21Å; I295-L465 HydrophobicContact CD1-CD2 4.19Å; A439-L465 HydrophobicContact CB-CD2 3.72Å; A448-L465 HydrophobicContact CB-CD1 3.66Å; I450-L465 HydrophobicContact CD1-CD1 4.06Å; I450-L465 HydrophobicContact CG1-CD1 4.21Å; V461-L465 HydrophobicContact CG1-CD1 4.02Å; V461-L465 HydrophobicContact CG1-CG 4.11Å; V461-L465 WeakPolarHBondContact O-CG 3.35Å; V461-L465 PolarHBondContact O-N 3.17Å; M462-L465 PolarHBondContact O-N 3.08Å; L465-T467 VanDerWaalsContact C-N 3.34Å; L465-T467 HydrophobicContact CB-CG2 4.2Å; L465-T467 PolarHBondContact O-N 3.15Å; L465-V470 HydrophobicContact CB-CG2 4.35Å; L465-V470 HydrophobicContact CD1-CG1 4.23Å; L465-V470 HydrophobicContact CD1-CG2 4.33Å
466Q98.6Very high98.2Very high94 Ų9450 Ų5044%0.43925%0.252SS..  trans-92.966.1179.1-62.8175.2-5.900110.3N440 H464 Y487N440-Q466 WeakPolarHBondContact OD1-CB 3.38Å; N440-Q466 PolarHBondContact OD1-N 2.87Å; H464-Q466 PolarHBondContact O-N 3.26Å; Q466-Y487 HydrophobicContact CB-CD2 4.37Å
467T98.6Very high98.2Very high12 Ų1246.9 Ų46.97%0.07424%0.243CC..SBendtrans-138.8160-173.8-160.10000112.7G445 L446 A447 A448 L465 T469 V470 Y487G445-T467 CarbonylContact O-C 3.54Å; G445-T467 WeakPolarHBondContact O-CA 3.47Å; G445-T467 PolarHBondContact O-OG1 2.77Å; L446-T467 PolarHBondContact N-OG1 2.72Å; L446-T467 PolarHBondContact O-OG1 3.14Å; A447-T467 WeakPolarHBondContact CA-OG1 3.29Å; A447-T467 PolarHBondContact N-OG1 2.83Å; A447-T467 PolarHBondContact O-OG1 3.02Å; A448-T467 HydrophobicContact CB-CG2 3.77Å; L465-T467 VanDerWaalsContact C-N 3.34Å; L465-T467 HydrophobicContact CB-CG2 4.2Å; L465-T467 PolarHBondContact O-N 3.15Å; T467-T469 WeakPolarHBondContact CG2-O 3.28Å; T467-V470 HydrophobicContact CG2-CG2 3.42Å; T467-V470 VanDerWaalsContact CG2-CG2 3.42Å; T467-Y487 WeakPolarHBondContact O-CD1 3.26Å; T467-Y487 WeakPolarHBondContact O-CE1 3.37Å
468G98.5Very high98.2Very high21 Ų2147.2 Ų47.222%0.21625%0.245CC..SBendtrans-71.6-39.6-176.100000115.3G445 L446 G485G445-G468 PolarHBondContact O-N 3.37Å; L446-G468 VanDerWaalsContact O-CA 3.27Å; L446-G468 WeakPolarHBondContact O-CA 3.19Å; L446-G468 PolarHBondContact O-N 3.17Å; L446-G468 VanDerWaalsContact O-N 3.08Å; G468-G485 WeakPolarHBondContact CA-O 3.41Å
469T98.8Very high98.2Very high27 Ų2751.4 Ų51.417%0.16627%0.267CS..EExtended strand (participates in β ladder)trans-134.7132.5179.9-62.30000109.4L446 A447 A448 T467 W471L446-T469 PolarHBondContact O-N 3.29Å; A447-T469 CarbonylContact C-O 3.5Å; A447-T469 WeakPolarHBondContact CA-O 3.5Å; A448-T469 PolarHBondContact N-O 3.24Å; T467-T469 WeakPolarHBondContact CG2-O 3.28Å; T469-W471 HydrophobicContact CG2-CD2 4.11Å; T469-W471 HydrophobicContact CG2-CG 4.45Å; T469-W471 HydrophobicContact CG2-CZ2 3.92Å
470V98.8Very high98.3Very high39 Ų3947.5 Ų47.524%0.23625%0.25CC..EExtended strand (participates in β ladder)trans-119.3116.5172.9-176.60000108.7A448 I450 M462 L465 T467 I472A448-V470 WeakPolarHBondContact O-CA 3.46Å; I450-V470 HydrophobicContact CD1-CG1 3.65Å; I450-V470 HydrophobicContact CG1-CG1 4.1Å; M462-V470 HydrophobicContact CB-CG1 4.17Å; M462-V470 HydrophobicContact CG-CB 4.01Å; M462-V470 HydrophobicContact CG-CG1 3.89Å; M462-V470 HydrophobicContact CG-CG2 4.25Å; L465-V470 HydrophobicContact CB-CG2 4.35Å; L465-V470 HydrophobicContact CD1-CG1 4.23Å; L465-V470 HydrophobicContact CD1-CG2 4.33Å; T467-V470 HydrophobicContact CG2-CG2 3.42Å; T467-V470 VanDerWaalsContact CG2-CG2 3.42Å; V470-I472 HydrophobicContact CG1-CG1 4.49Å
471W98.7Very high98.3Very high15 Ų1546.6 Ų46.66%0.05725%0.254CS..EExtended strand (participates in β ladder)trans-91.2134.2172.6-63.6-64.9000110.5C322 A447 A448 G449 I450 T469 C474 Y475 D476 V477 F478C322-W471 HydrophobicContact CB-CH2 4.02Å; C322-W471 HydrophobicContact CB-CZ3 4.41Å; A447-W471 HydrophobicContact CB-CE3 4.27Å; A447-W471 HydrophobicContact CB-CH2 3.82Å; A447-W471 HydrophobicContact CB-CZ3 3.51Å; A448-W471 PolarHBondContact O-N 2.95Å; G449-W471 CarbonylContact C-O 3.55Å; G449-W471 VanDerWaalsContact CA-O 3.25Å; G449-W471 WeakPolarHBondContact CA-O 3.45Å; I450-W471 PolarHBondContact N-O 2.88Å; T469-W471 HydrophobicContact CG2-CD2 4.11Å; T469-W471 HydrophobicContact CG2-CG 4.45Å; T469-W471 HydrophobicContact CG2-CZ2 3.92Å; W471-C474 WeakPolarHBondContact CB-O 3.2Å; W471-Y475 AromaticContact CE3-CD1 3.93Å; W471-Y475 HydrophobicContact CE3-CD1 3.93Å; W471-Y475 AromaticContact CE3-CD2 3.69Å; W471-Y475 HydrophobicContact CE3-CD2 3.69Å; W471-Y475 AromaticContact CE3-CE1 3.94Å; W471-Y475 HydrophobicContact CE3-CE1 3.94Å; W471-Y475 AromaticContact CE3-CE2 3.73Å; W471-Y475 HydrophobicContact CE3-CE2 3.73Å; W471-Y475 AromaticContact CE3-CG 3.81Å; W471-Y475 HydrophobicContact CE3-CG 3.81Å; W471-Y475 AromaticContact CE3-CZ 3.83Å; W471-Y475 HydrophobicContact CH2-CE1 4.33Å; W471-Y475 AromaticContact CZ3-CD1 3.73Å; W471-Y475 HydrophobicContact CZ3-CD1 3.73Å; W471-Y475 HydrophobicContact CZ3-CD2 4.2Å; W471-Y475 AromaticContact CZ3-CE1 3.42Å; W471-Y475 HydrophobicContact CZ3-CE1 3.42Å; W471-Y475 VanDerWaalsContact CZ3-CE1 3.42Å; W471-Y475 AromaticContact CZ3-CE2 3.95Å; W471-Y475 HydrophobicContact CZ3-CE2 3.95Å; W471-Y475 HydrophobicContact CZ3-CG 4.11Å; W471-Y475 AromaticContact CZ3-CZ 3.53Å; W471-D476 VanDerWaalsContact CH2-OD1 3.23Å; W471-D476 WeakPolarHBondContact CH2-OD1 3.48Å; W471-V477 PolarHBondContact NE1-O 2.9Å; W471-F478 HydrophobicContact CH2-CE2 4.25Å; W471-F478 HydrophobicContact CH2-CZ 4.1Å; W471-F478 HydrophobicContact CZ2-CE2 4Å; W471-F478 AromaticContact CZ2-CZ 3.95Å; W471-F478 HydrophobicContact CZ2-CZ 3.95Å
472I98.5Very high98.3Very high60 Ų6049 Ų4931%0.30827%0.274SS..EExtended strand (participates in β ladder)trans-114.8120.1176.9-59.2172000108.4I450 A458 M462 V470 C474I450-I472 CarbonylContact O-C 3.55Å; I450-I472 WeakPolarHBondContact O-CA 3.5Å; A458-I472 HydrophobicContact CB-CD1 4.33Å; A458-I472 HydrophobicContact CB-CG2 4.08Å; M462-I472 HydrophobicContact CB-CD1 4.45Å; M462-I472 HydrophobicContact SD-CD1 3.97Å; V470-I472 HydrophobicContact CG1-CG1 4.49Å; I472-C474 PolarHBondContact O-N 2.85Å
473N98.2Very high98.3Very high35 Ų3548.1 Ų48.119%0.18727%0.273CS..SBendtrans56.324.8-174.6-63-41.5000113.6R304 I450 F451 T452R304-N473 PolarHBondContact NE-O 2.94Å; R304-N473 PolarHBondContact NH2-O 3.07Å; I450-N473 PolarHBondContact O-N 2.79Å; F451-N473 WeakPolarHBondContact CA-OD1 3.4Å; F451-N473 VanDerWaalsContact CZ-C 3.47Å; T452-N473 PolarHBondContact N-OD1 2.81Å; T452-N473 PolarHBondContact O-ND2 3.42Å; T452-N473 PolarHBondContact O-OD1 3.23Å
474C98.1Very high98.4Very high36 Ų3641.1 Ų41.124%0.24324%0.24CC..  trans-152.5177.7171.160.80000109.6W471 I472 V477W471-C474 WeakPolarHBondContact CB-O 3.2Å; I472-C474 PolarHBondContact O-N 2.85Å; C474-V477 HydrophobicContact CB-CG2 3.77Å
475Y98.4Very high98.4Very high10 Ų1037.3 Ų37.34%0.03922%0.223CC..SBendtrans-154.2150.4173.3-150.9-87.2000109.4S292 L294 G312 C322 S324 W471 V477S292-Y475 WeakPolarHBondContact CB-OH 3.23Å; L294-Y475 HydrophobicContact CB-CE2 4.16Å; L294-Y475 HydrophobicContact CD1-CD2 3.82Å; L294-Y475 HydrophobicContact CD1-CE2 4.1Å; L294-Y475 HydrophobicContact CD2-CD2 4.34Å; L294-Y475 HydrophobicContact CG-CD2 4.5Å; G312-Y475 VanDerWaalsContact CA-CD1 3.4Å; C322-Y475 WeakPolarHBondContact O-CE1 3.48Å; C322-Y475 PolarHBondContact O-OH 3.34Å; S324-Y475 WeakPolarHBondContact CA-OH 3.32Å; S324-Y475 VanDerWaalsContact CB-CZ 3.46Å; S324-Y475 PolarHBondContact N-OH 3.02Å; W471-Y475 AromaticContact CE3-CD1 3.93Å; W471-Y475 HydrophobicContact CE3-CD1 3.93Å; W471-Y475 AromaticContact CE3-CD2 3.69Å; W471-Y475 HydrophobicContact CE3-CD2 3.69Å; W471-Y475 AromaticContact CE3-CE1 3.94Å; W471-Y475 HydrophobicContact CE3-CE1 3.94Å; W471-Y475 AromaticContact CE3-CE2 3.73Å; W471-Y475 HydrophobicContact CE3-CE2 3.73Å; W471-Y475 AromaticContact CE3-CG 3.81Å; W471-Y475 HydrophobicContact CE3-CG 3.81Å; W471-Y475 AromaticContact CE3-CZ 3.83Å; W471-Y475 HydrophobicContact CH2-CE1 4.33Å; W471-Y475 AromaticContact CZ3-CD1 3.73Å; W471-Y475 HydrophobicContact CZ3-CD1 3.73Å; W471-Y475 HydrophobicContact CZ3-CD2 4.2Å; W471-Y475 AromaticContact CZ3-CE1 3.42Å; W471-Y475 HydrophobicContact CZ3-CE1 3.42Å; W471-Y475 VanDerWaalsContact CZ3-CE1 3.42Å; W471-Y475 AromaticContact CZ3-CE2 3.95Å; W471-Y475 HydrophobicContact CZ3-CE2 3.95Å; W471-Y475 HydrophobicContact CZ3-CG 4.11Å; W471-Y475 AromaticContact CZ3-CZ 3.53Å; Y475-V477 PolarHBondContact O-N 2.98Å
476D97.6Very high98.4Very high17 Ų1736.8 Ų36.89%0.09122%0.221CC..SBendtrans52.835.3179.5-77.1-11.6000114.2F311 C322 W471 F478F311-D476 HydrophobicContact CD1-CB 4.17Å; F311-D476 HydrophobicContact CE1-CB 3.71Å; C322-D476 PolarHBondContact SG-OD1 3.34Å; W471-D476 VanDerWaalsContact CH2-OD1 3.23Å; W471-D476 WeakPolarHBondContact CH2-OD1 3.48Å; D476-F478 HydrophobicContact CB-CE2 4.1Å; D476-F478 WeakPolarHBondContact O-CD2 3.39Å; D476-F478 PolarHBondContact O-N 3.46Å
477V97.9Very high98.4Very high90 Ų9037.6 Ų37.655%0.54522%0.22SC..  trans-88.7104.1172.3-177.20000108.5W471 C474 Y475W471-V477 PolarHBondContact NE1-O 2.9Å; C474-V477 HydrophobicContact CB-CG2 3.77Å; Y475-V477 PolarHBondContact O-N 2.98Å
478F97.6Very high98.4Very high53 Ų5340.7 Ų40.723%0.23223%0.233CC..  trans-105.6141.4176.9-68.3-91.4000111.2W196 W471 D476 F484W196-F478 AromaticContact CH2-CD1 3.87Å; W196-F478 HydrophobicContact CH2-CD1 3.87Å; W196-F478 AromaticContact CH2-CE1 3.83Å; W196-F478 HydrophobicContact CH2-CE1 3.83Å; W196-F478 AromaticContact CZ2-CD1 3.96Å; W196-F478 HydrophobicContact CZ2-CD1 3.96Å; W196-F478 HydrophobicContact CZ2-CE1 4.33Å; W471-F478 HydrophobicContact CH2-CE2 4.25Å; W471-F478 HydrophobicContact CH2-CZ 4.1Å; W471-F478 HydrophobicContact CZ2-CE2 4Å; W471-F478 AromaticContact CZ2-CZ 3.95Å; W471-F478 HydrophobicContact CZ2-CZ 3.95Å; D476-F478 HydrophobicContact CB-CE2 4.1Å; D476-F478 WeakPolarHBondContact O-CD2 3.39Å; D476-F478 PolarHBondContact O-N 3.46Å; F478-F484 HydrophobicContact CD1-CD2 4.31Å; F478-F484 HydrophobicContact CE1-CD1 4.48Å; F478-F484 AromaticContact CE1-CD2 3.43Å; F478-F484 HydrophobicContact CE1-CD2 3.43Å; F478-F484 VanDerWaalsContact CE1-CD2 3.43Å; F478-F484 AromaticContact CE1-CE2 3.54Å; F478-F484 HydrophobicContact CE1-CE2 3.54Å; F478-F484 AromaticContact CE1-CG 3.9Å; F478-F484 HydrophobicContact CE1-CG 3.9Å; F478-F484 HydrophobicContact CE1-CZ 4.1Å; F478-F484 HydrophobicContact CZ-CD2 4.18Å; F478-F484 AromaticContact CZ-CE2 3.82Å; F478-F484 HydrophobicContact CZ-CE2 3.82Å; F478-F484 HydrophobicContact CZ-CZ 4.27Å
479D98Very high98.3Very high94 Ų9444.1 Ų44.150%0.50324%0.242SC..  trans-139.6139.7169.7-169.8-70.1000108A481 A482D479-A481 PolarHBondContact O-N 3.3Å; D479-A481 VanDerWaalsContact OD1-CB 3.24Å; D479-A481 WeakPolarHBondContact OD1-CB 3.29Å; D479-A481 PolarHBondContact OD1-N 2.91Å; D479-A482 PolarHBondContact O-N 3.15Å
480A98.4Very high98.3Very high12 Ų1242.9 Ų42.910%0.09923%0.234CC..THydrogen-bonded Turntrans-59.7-21.5-179.300000113Y150 G497Y150-A480 HydrophobicContact CD1-CB 3.86Å; Y150-A480 WeakPolarHBondContact CD1-O 3.24Å; Y150-A480 HydrophobicContact CD2-CB 4.2Å; Y150-A480 WeakPolarHBondContact CE1-O 3.35Å; Y150-A480 HydrophobicContact CG-CB 3.59Å; A480-G497 WeakPolarHBondContact O-CA 3.14Å; A480-G497 PolarHBondContact O-N 3.01Å
481A98.4Very high98.3Very high50 Ų5041.3 Ų41.341%0.41323%0.226SC..THydrogen-bonded Turntrans-79.9-21.9176.100000114.7Y150 D479 G497Y150-A481 HydrophobicContact CD2-CB 4.28Å; Y150-A481 VanDerWaalsContact CE2-CA 3.48Å; Y150-A481 HydrophobicContact CE2-CB 3.58Å; D479-A481 PolarHBondContact O-N 3.3Å; D479-A481 VanDerWaalsContact OD1-CB 3.24Å; D479-A481 WeakPolarHBondContact OD1-CB 3.29Å; D479-A481 PolarHBondContact OD1-N 2.91Å; A481-G497 VanDerWaalsContact O-CA 3.27Å; A481-G497 WeakPolarHBondContact O-CA 3.3Å
482A98.6Very high98.3Very high51 Ų5144.5 Ų44.542%0.42125%0.247SC..SBendtrans-93.9127.4-178.900000110.2D479 L496D479-A482 PolarHBondContact O-N 3.15Å; A482-L496 WeakPolarHBondContact O-CB 3.22Å
483P98.7Very high98.2Very high46 Ų4642.9 Ų42.930%0.29925%0.245SC..  trans-66.7143.6177.930.6-36.2000110.8R494 E495 Y499P483-R494 HydrophobicContact CB-CB 4.18Å; P483-R494 HydrophobicContact CB-CG 4.45Å; P483-E495 CarbonylContact C-O 3.52Å; P483-E495 VanDerWaalsContact CA-O 3.3Å; P483-E495 WeakPolarHBondContact CA-O 3.39Å; P483-Y499 HydrophobicContact CB-CD2 3.76Å; P483-Y499 HydrophobicContact CB-CG 4.05Å; P483-Y499 HydrophobicContact CG-CD2 3.61Å; P483-Y499 HydrophobicContact CG-CE2 3.92Å; P483-Y499 HydrophobicContact CG-CG 4.27Å
484F98.9Very high98.2Very high8 Ų844 Ų444%0.03525%0.246CC..BIsolated β-bridgetrans-123.7144.1172.5-178.1-97.5000109.7W196 C322 L446 F478 R494 E495 L496W196-F484 HydrophobicContact CH2-CB 4.16Å; W196-F484 AromaticContact CH2-CD1 3.91Å; W196-F484 HydrophobicContact CH2-CD1 3.91Å; W196-F484 HydrophobicContact CH2-CE1 4.5Å; W196-F484 HydrophobicContact CH2-CG 4.1Å; W196-F484 HydrophobicContact CZ3-CB 4.21Å; W196-F484 AromaticContact CZ3-CD1 3.64Å; W196-F484 HydrophobicContact CZ3-CD1 3.64Å; W196-F484 HydrophobicContact CZ3-CE1 4.32Å; W196-F484 HydrophobicContact CZ3-CG 4.18Å; C322-F484 HydrophobicContact CB-CE2 4.28Å; C322-F484 HydrophobicContact CB-CZ 4.1Å; L446-F484 HydrophobicContact CD1-CE1 3.74Å; L446-F484 HydrophobicContact CD1-CE2 4.45Å; L446-F484 HydrophobicContact CD1-CZ 3.69Å; L446-F484 HydrophobicContact CD2-CE1 4.13Å; L446-F484 HydrophobicContact CD2-CZ 3.7Å; L446-F484 HydrophobicContact CG-CE1 4.12Å; L446-F484 HydrophobicContact CG-CE2 4.3Å; L446-F484 HydrophobicContact CG-CZ 3.59Å; F478-F484 HydrophobicContact CD1-CD2 4.31Å; F478-F484 HydrophobicContact CE1-CD1 4.48Å; F478-F484 AromaticContact CE1-CD2 3.43Å; F478-F484 HydrophobicContact CE1-CD2 3.43Å; F478-F484 VanDerWaalsContact CE1-CD2 3.43Å; F478-F484 AromaticContact CE1-CE2 3.54Å; F478-F484 HydrophobicContact CE1-CE2 3.54Å; F478-F484 AromaticContact CE1-CG 3.9Å; F478-F484 HydrophobicContact CE1-CG 3.9Å; F478-F484 HydrophobicContact CE1-CZ 4.1Å; F478-F484 HydrophobicContact CZ-CD2 4.18Å; F478-F484 AromaticContact CZ-CE2 3.82Å; F478-F484 HydrophobicContact CZ-CE2 3.82Å; F478-F484 HydrophobicContact CZ-CZ 4.27Å; F484-R494 CarbonylContact O-C 3.56Å; F484-R494 VanDerWaalsContact O-CA 3.32Å; F484-R494 WeakPolarHBondContact O-CA 3.48Å; F484-R494 WeakPolarHBondContact O-CD 3.44Å; F484-E495 PolarHBondContact N-O 2.85Å; F484-E495 PolarHBondContact O-N 3.28Å; F484-L496 HydrophobicContact CB-CD1 4.48Å
485G98.5Very high98.3Very high0 Ų042.3 Ų42.30%024%0.235CC..  trans153.5160.4168.400000114.9E287 G468 R494E287-G485 WeakPolarHBondContact OE1-CA 3.38Å; E287-G485 WeakPolarHBondContact OE2-CA 3.44Å; G468-G485 WeakPolarHBondContact CA-O 3.41Å; G485-R494 PolarHBondContact O-NE 2.89Å; G485-R494 PolarHBondContact O-NH1 3.32Å; G485-R494 PolarHBondContact O-NH2 3.22Å
486G98.3Very high98.3Very high3 Ų341.9 Ų41.93%0.03123%0.234CC..  trans-79.6153.4-162.700000117R494G486-R494 PolarHBondContact O-NH1 3.29Å
487Y98.4Very high98.3Very high110 Ų11041.1 Ų41.143%0.43123%0.229SC..SBendtrans-87.5164.2154.3-80.345.7000109.2G445 Q466 T467 F489 S490G445-Y487 WeakPolarHBondContact O-CB 3.36Å; G445-Y487 PolarHBondContact O-N 3.2Å; Q466-Y487 HydrophobicContact CB-CD2 4.37Å; T467-Y487 WeakPolarHBondContact O-CD1 3.26Å; T467-Y487 WeakPolarHBondContact O-CE1 3.37Å; Y487-F489 PolarHBondContact O-N 3.37Å; Y487-S490 WeakPolarHBondContact O-CB 3.5Å; Y487-S490 PolarHBondContact O-N 2.66Å
488K98.1Very high98.4Very high77 Ų7741.6 Ų41.634%0.33523%0.226SC..G310 helixtrans53.4-127.8173-55.9174.9-178.3170.90111.5N440 T442 Q443 Y444 S490N440-K488 PolarHBondContact O-NZ 3.35Å; T442-K488 PolarHBondContact O-NZ 3.23Å; T442-K488 VanDerWaalsContact O-NZ 3.08Å; Q443-K488 WeakPolarHBondContact O-CB 3.24Å; Y444-K488 WeakPolarHBondContact O-CD 3.33Å; K488-S490 VanDerWaalsContact C-N 3.29Å
489F97.9Very high98.4Very high94 Ų9446.4 Ų46.441%0.41224%0.243SC..G310 helixtrans-85.3-0.1-179.1-61.2-10.9000113.8T266 L288 Q443 Y487 G491T266-F489 HydrophobicContact CG2-CB 3.93Å; T266-F489 PolarHBondContact OG1-O 2.73Å; L288-F489 WeakPolarHBondContact CB-O 3.46Å; L288-F489 VanDerWaalsContact CD1-O 3.28Å; L288-F489 WeakPolarHBondContact CD1-O 3.48Å; Q443-F489 HydrophobicContact CB-CD2 3.61Å; Q443-F489 HydrophobicContact CB-CE2 3.98Å; Q443-F489 HydrophobicContact CB-CG 4.4Å; Q443-F489 HydrophobicContact CG-CD2 4.05Å; Q443-F489 WeakPolarHBondContact O-CB 3.19Å; Q443-F489 PolarHBondContact O-N 2.81Å; Y487-F489 PolarHBondContact O-N 3.37Å; F489-G491 PolarHBondContact O-N 2.81Å
490S98.8Very high98.5Very high0 Ų042 Ų420%022%0.22CC..G310 helixtrans-79.7-5174.8-69.40000113.4L288 G289 Y444 G445 L446 Y487 K488L288-S490 WeakPolarHBondContact CA-O 3.45Å; L288-S490 PolarHBondContact N-O 3.38Å; G289-S490 WeakPolarHBondContact O-CA 3.14Å; G289-S490 WeakPolarHBondContact O-CB 3.42Å; G289-S490 PolarHBondContact O-OG 2.92Å; Y444-S490 WeakPolarHBondContact CA-OG 3.48Å; Y444-S490 WeakPolarHBondContact CB-OG 3.39Å; G445-S490 PolarHBondContact N-OG 3.06Å; L446-S490 PolarHBondContact N-OG 2.66Å; Y487-S490 WeakPolarHBondContact O-CB 3.5Å; Y487-S490 PolarHBondContact O-N 2.66Å; K488-S490 VanDerWaalsContact C-N 3.29Å
491G98.4Very high98.5Very high6 Ų641.4 Ų41.46%0.06222%0.215CC..EExtended strand (participates in β ladder)trans157.4174.6172.100000115.5L286 F489L286-G491 CarbonylContact O-C 3.58Å; L286-G491 WeakPolarHBondContact O-CA 3.45Å; F489-G491 PolarHBondContact O-N 2.81Å
492V97.8Very high98.5Very high83 Ų8348.2 Ų48.250%0.50323%0.23SC..EExtended strand (participates in β ladder)trans-139.6122.7173.7-1800000108.2T285 L286T285-V492 WeakPolarHBondContact CA-O 3.29Å; T285-V492 WeakPolarHBondContact CG2-O 3.09Å; L286-V492 PolarHBondContact N-O 3.17Å; L286-V492 PolarHBondContact O-N 3.31Å
493G97.7Very high98.5Very high25 Ų2547.1 Ų47.126%0.25822%0.217SC..SBendtrans94.5-173.6-171.500000112.2
494R98.7Very high98.5Very high58 Ų5845 Ų4522%0.21920%0.203CC..  trans-140.2137.4177.4-67-65.5179-93.24.6109.7P483 F484 G485 G486 S500 N503P483-R494 HydrophobicContact CB-CB 4.18Å; P483-R494 HydrophobicContact CB-CG 4.45Å; F484-R494 CarbonylContact O-C 3.56Å; F484-R494 VanDerWaalsContact O-CA 3.32Å; F484-R494 WeakPolarHBondContact O-CA 3.48Å; F484-R494 WeakPolarHBondContact O-CD 3.44Å; G485-R494 PolarHBondContact O-NE 2.89Å; G485-R494 PolarHBondContact O-NH1 3.32Å; G485-R494 PolarHBondContact O-NH2 3.22Å; G486-R494 PolarHBondContact O-NH1 3.29Å; R494-S500 WeakPolarHBondContact O-CA 3.43Å; R494-N503 PolarHBondContact O-ND2 3.2Å
495E98.8Very high98.5Very high1 Ų145.3 Ų45.31%0.00521%0.206CC..BIsolated β-bridgetrans-98.6171.5165.9-61.5-164.615200110.4W196 K197 E287 P483 F484W196-E495 HydrophobicContact CE3-CB 4.13Å; K197-E495 WeakPolarHBondContact CD-OE1 3.05Å; K197-E495 WeakPolarHBondContact CE-OE1 3.33Å; K197-E495 IonicContact NZ-OE1 2.65Å; K197-E495 PolarHBondContact NZ-OE1 3.01Å; K197-E495 IonicContact NZ-OE2 4Å; K197-E495 PolarHBondContact NZ-OE2 3.5Å; E287-E495 HydrophobicContact CG-CG 3.88Å; P483-E495 CarbonylContact C-O 3.52Å; P483-E495 VanDerWaalsContact CA-O 3.3Å; P483-E495 WeakPolarHBondContact CA-O 3.39Å; F484-E495 PolarHBondContact N-O 2.85Å; F484-E495 PolarHBondContact O-N 3.28Å
496L98.7Very high98.5Very high2 Ų248.4 Ų48.41%0.0122%0.22CC..SBendtrans59.9172.9-170.4-57-174000114.5Y151 W196 A482 F484 S500Y151-L496 HydrophobicContact CE2-CD2 4.32Å; Y151-L496 WeakPolarHBondContact OH-CA 3.22Å; Y151-L496 PolarHBondContact OH-N 3.32Å; W196-L496 HydrophobicContact CD2-CD1 4.3Å; W196-L496 HydrophobicContact CD2-CD2 3.85Å; W196-L496 HydrophobicContact CD2-CG 3.99Å; W196-L496 HydrophobicContact CE3-CG 4.21Å; W196-L496 HydrophobicContact CG-CD2 3.92Å; W196-L496 HydrophobicContact CH2-CD1 3.79Å; W196-L496 HydrophobicContact CH2-CG 4.28Å; W196-L496 HydrophobicContact CZ2-CD1 3.45Å; W196-L496 VanDerWaalsContact CZ2-CD1 3.45Å; W196-L496 HydrophobicContact CZ2-CD2 4.41Å; W196-L496 HydrophobicContact CZ2-CG 4.06Å; W196-L496 HydrophobicContact CZ3-CD1 4.34Å; W196-L496 HydrophobicContact CZ3-CG 4.35Å; A482-L496 WeakPolarHBondContact O-CB 3.22Å; F484-L496 HydrophobicContact CB-CD1 4.48Å; L496-S500 VanDerWaalsContact O-CB 3.26Å; L496-S500 WeakPolarHBondContact O-CB 3.44Å; L496-S500 PolarHBondContact O-N 2.9Å
497G98.7Very high98.5Very high0 Ų051.9 Ų51.90%024%0.241CC..THydrogen-bonded Turntrans61.5-172.4179.400000114.3Y150 A480 A481 Y499Y150-G497 VanDerWaalsContact OH-C 3.31Å; Y150-G497 WeakPolarHBondContact OH-CA 3.18Å; A480-G497 WeakPolarHBondContact O-CA 3.14Å; A480-G497 PolarHBondContact O-N 3.01Å; A481-G497 VanDerWaalsContact O-CA 3.27Å; A481-G497 WeakPolarHBondContact O-CA 3.3Å; G497-Y499 PolarHBondContact O-N 2.87Å
498E98.8Very high98.5Very high101 Ų10150.8 Ų50.847%0.47224%0.238SC..THydrogen-bonded Turntrans-62.2-32.9169.3-175.8-177.4155.100111.4Y150 W154 Y158 S500 L501Y150-E498 PolarHBondContact OH-N 3.22Å; W154-E498 HydrophobicContact CH2-CB 3.91Å; W154-E498 HydrophobicContact CH2-CG 3.65Å; W154-E498 HydrophobicContact CZ2-CB 3.75Å; W154-E498 HydrophobicContact CZ2-CG 4.02Å; W154-E498 HydrophobicContact CZ3-CG 4.12Å; Y158-E498 HydrophobicContact CD2-CG 4.29Å; Y158-E498 HydrophobicContact CE2-CG 3.98Å; E498-S500 VanDerWaalsContact C-N 3.26Å; E498-S500 PolarHBondContact O-N 3.08Å; E498-L501 HydrophobicContact CG-CD1 4.39Å; E498-L501 VanDerWaalsContact O-CB 3.29Å; E498-L501 WeakPolarHBondContact O-CB 3.45Å; E498-L501 WeakPolarHBondContact O-CG 3.24Å; E498-L501 PolarHBondContact O-N 3.31Å
499Y98.6Very high98.6Very high154 Ų15451.2 Ų51.260%0.60425%0.247SC*.Hα-helixtrans-58.3-34.5-175.4-69.2-94.3000113.5P483 G497 L501 R502P483-Y499 HydrophobicContact CB-CD2 3.76Å; P483-Y499 HydrophobicContact CB-CG 4.05Å; P483-Y499 HydrophobicContact CG-CD2 3.61Å; P483-Y499 HydrophobicContact CG-CE2 3.92Å; P483-Y499 HydrophobicContact CG-CG 4.27Å; G497-Y499 PolarHBondContact O-N 2.87Å; Y499-L501 VanDerWaalsContact C-N 3.26Å; Y499-L501 PolarHBondContact O-N 3.25Å; Y499-R502 WeakPolarHBondContact O-CB 3.46Å; Y499-R502 PolarHBondContact O-N 2.89Å
500S98.6Very high98.6Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-62.1-33.9177.5-173.50000112.8Y151 P200 R494 L496 E498 R502 N503 Y504Y151-S500 WeakPolarHBondContact OH-CB 3.46Å; Y151-S500 PolarHBondContact OH-OG 2.79Å; P200-S500 WeakPolarHBondContact CB-OG 3.45Å; P200-S500 WeakPolarHBondContact CG-OG 3.4Å; R494-S500 WeakPolarHBondContact O-CA 3.43Å; L496-S500 VanDerWaalsContact O-CB 3.26Å; L496-S500 WeakPolarHBondContact O-CB 3.44Å; L496-S500 PolarHBondContact O-N 2.9Å; E498-S500 VanDerWaalsContact C-N 3.26Å; E498-S500 PolarHBondContact O-N 3.08Å; S500-R502 PolarHBondContact O-N 3.13Å; S500-N503 WeakPolarHBondContact O-CB 3.48Å; S500-N503 PolarHBondContact O-N 3.14Å; S500-Y504 WeakPolarHBondContact O-CD2 3.49Å
501L98.8Very high98.6Very high1 Ų152.6 Ų52.61%0.00526%0.263CS..Hα-helixtrans-60.5-32.8-177.2-54.5176.1000112Y151 W154 Y158 P200 T204 E498 Y499 N503 Y504 T505Y151-L501 HydrophobicContact CD1-CD2 3.87Å; Y151-L501 HydrophobicContact CE1-CD2 3.81Å; Y151-L501 HydrophobicContact CE1-CG 4.49Å; W154-L501 HydrophobicContact CB-CD1 3.94Å; W154-L501 HydrophobicContact CB-CD2 4.29Å; W154-L501 HydrophobicContact CD2-CD1 3.54Å; W154-L501 HydrophobicContact CE3-CD1 3.53Å; W154-L501 HydrophobicContact CG-CD1 3.74Å; W154-L501 HydrophobicContact CZ3-CD1 4.22Å; Y158-L501 HydrophobicContact CD1-CB 4.04Å; Y158-L501 HydrophobicContact CD2-CB 3.9Å; Y158-L501 HydrophobicContact CD2-CD1 3.51Å; Y158-L501 HydrophobicContact CD2-CG 4.36Å; Y158-L501 HydrophobicContact CE1-CB 4.02Å; Y158-L501 HydrophobicContact CE2-CB 3.9Å; Y158-L501 HydrophobicContact CE2-CD1 4.14Å; Y158-L501 HydrophobicContact CG-CB 3.98Å; Y158-L501 HydrophobicContact CG-CD1 3.85Å; P200-L501 HydrophobicContact CB-CD2 4.26Å; T204-L501 HydrophobicContact CG2-CB 4.23Å; T204-L501 HydrophobicContact CG2-CD2 3.91Å; E498-L501 HydrophobicContact CG-CD1 4.39Å; E498-L501 VanDerWaalsContact O-CB 3.29Å; E498-L501 WeakPolarHBondContact O-CB 3.45Å; E498-L501 WeakPolarHBondContact O-CG 3.24Å; E498-L501 PolarHBondContact O-N 3.31Å; Y499-L501 VanDerWaalsContact C-N 3.26Å; Y499-L501 PolarHBondContact O-N 3.25Å; L501-N503 VanDerWaalsContact C-N 3.26Å; L501-N503 PolarHBondContact O-N 2.88Å; L501-Y504 CarbonylContact O-C 3.48Å; L501-Y504 PolarHBondContact O-N 2.97Å; L501-Y504 VanDerWaalsContact O-N 3.1Å; L501-T505 WeakPolarHBondContact O-CB 3.38Å; L501-T505 PolarHBondContact O-N 2.54Å; L501-T505 PolarHBondContact O-OG1 3.05Å
502R98.5Very high98.6Very high192 Ų19255.6 Ų55.673%0.72528%0.281SS*.Hα-helixtrans-56.9-39.6173.5179.5-175.8173.3-176.4-1.2112.1Y499 S500 Y504 T505Y499-R502 WeakPolarHBondContact O-CB 3.46Å; Y499-R502 PolarHBondContact O-N 2.89Å; S500-R502 PolarHBondContact O-N 3.13Å; R502-Y504 PolarHBondContact O-N 2.78Å; R502-T505 PolarHBondContact O-N 2.81Å
503N98.5Very high98.6Very high29 Ų2961.3 Ų61.316%0.15529%0.293CS..Hα-helixtrans-67.2-22.6-178-57.7-36.1000112K259 R494 S500 L501K259-N503 WeakPolarHBondContact CD-O 3.3Å; K259-N503 WeakPolarHBondContact CE-O 3.27Å; R494-N503 PolarHBondContact O-ND2 3.2Å; S500-N503 WeakPolarHBondContact O-CB 3.48Å; S500-N503 PolarHBondContact O-N 3.14Å; L501-N503 VanDerWaalsContact C-N 3.26Å; L501-N503 PolarHBondContact O-N 2.88Å
504Y98.9Very high98.6Very high1 Ų162.7 Ų62.70%0.00429%0.294CS..THydrogen-bonded Turntrans-108.813.4-176.5-66.4-78.2000113V178 C181 Q183 P200 A201 T204 N206 K259 S500 L501 R502V178-Y504 VanDerWaalsContact CG2-C 3.44Å; V178-Y504 PolarHBondContact N-O 3.49Å; C181-Y504 HydrophobicContact CB-CE1 4.37Å; Q183-Y504 PolarHBondContact NE2-OH 2.74Å; P200-Y504 HydrophobicContact CB-CD2 3.74Å; P200-Y504 HydrophobicContact CB-CE2 3.86Å; P200-Y504 HydrophobicContact CG-CD2 4.02Å; P200-Y504 HydrophobicContact CG-CE2 3.58Å; A201-Y504 HydrophobicContact CB-CD1 3.69Å; A201-Y504 HydrophobicContact CB-CE1 3.6Å; A201-Y504 HydrophobicContact CB-CG 4.32Å; T204-Y504 VanDerWaalsContact OG1-CB 3.3Å; T204-Y504 WeakPolarHBondContact OG1-CB 3.18Å; N206-Y504 PolarHBondContact ND2-O 2.74Å; K259-Y504 HydrophobicContact CD-CD1 4.07Å; K259-Y504 HydrophobicContact CD-CE1 4.21Å; S500-Y504 WeakPolarHBondContact O-CD2 3.49Å; L501-Y504 CarbonylContact O-C 3.48Å; L501-Y504 PolarHBondContact O-N 2.97Å; L501-Y504 VanDerWaalsContact O-N 3.1Å; R502-Y504 PolarHBondContact O-N 2.78Å
505T98.9Very high98.6Very high15 Ų1567.9 Ų67.99%0.09233%0.325CS..EExtended strand (participates in β ladder)trans-119.3131.6179.3-58.70000111.9Y158 H175 E176 V178 L501 R502 V507Y158-T505 HydrophobicContact CD1-CG2 4.48Å; Y158-T505 HydrophobicContact CE1-CG2 4.13Å; Y158-T505 WeakPolarHBondContact CE1-OG1 3.43Å; H175-T505 HydrophobicContact CB-CG2 3.47Å; H175-T505 VanDerWaalsContact CB-CG2 3.47Å; E176-T505 CarbonylContact O-C 3.33Å; E176-T505 WeakPolarHBondContact O-CA 3.36Å; V178-T505 VanDerWaalsContact CG2-C 3.48Å; L501-T505 WeakPolarHBondContact O-CB 3.38Å; L501-T505 PolarHBondContact O-N 2.54Å; L501-T505 PolarHBondContact O-OG1 3.05Å; R502-T505 PolarHBondContact O-N 2.81Å; T505-V507 HydrophobicContact CG2-CG2 4.37Å
506E98.7Very high98.5Very high64 Ų6474.3 Ų74.330%0.29936%0.355SS..EExtended strand (participates in β ladder)trans-97.8117.7165.8-167.359.4-149.600110.2E176 V178 R283E176-E506 PolarHBondContact N-O 3.36Å; E176-E506 PolarHBondContact O-N 3.3Å; V178-E506 HydrophobicContact CG2-CB 4.43Å; R283-E506 IonicContact CZ-OE1 2.82Å; R283-E506 IonicContact CZ-OE2 3.21Å; R283-E506 IonicContact NE-OE2 2.68Å; R283-E506 PolarHBondContact NE-OE2 2.77Å; R283-E506 IonicContact NH1-OE2 2.87Å; R283-E506 IonicContact NH2-OE1 3.26Å; R283-E506 PolarHBondContact NH2-OE1 2.9Å; R283-E506 IonicContact NH2-OE2 3.49Å; R283-E506 PolarHBondContact NH2-OE2 3.06Å
507V98.7Very high98.5Very high77 Ų7777.8 Ų77.847%0.46737%0.371SS..EExtended strand (participates in β ladder)trans-88.4115.4-177.4-176.40000109.5T173 T505T173-V507 HydrophobicContact CG2-CG1 3.85Å; T505-V507 HydrophobicContact CG2-CG2 4.37Å
508K98.8Very high98.4Very high87 Ų8783.7 Ų83.738%0.37840%0.402SS..EExtended strand (participates in β ladder)trans-103.3121.4172.6-177.2179.1-65.5162.10110.3T173 L174 E176T173-K508 CarbonylContact C-O 3.57Å; T173-K508 VanDerWaalsContact CA-O 3.27Å; T173-K508 WeakPolarHBondContact CA-O 3.41Å; L174-K508 HydrophobicContact CB-CB 4.34Å; L174-K508 HydrophobicContact CD1-CD 4.46Å; L174-K508 PolarHBondContact N-O 3.4Å; L174-K508 PolarHBondContact O-N 3.16Å; E176-K508 WeakPolarHBondContact OE1-CE 3.47Å; E176-K508 IonicContact OE1-NZ 2.82Å; E176-K508 PolarHBondContact OE1-NZ 2.93Å; E176-K508 WeakPolarHBondContact OE2-CE 3.48Å; E176-K508 IonicContact OE2-NZ 2.67Å; E176-K508 PolarHBondContact OE2-NZ 2.64Å
509T98.8Very high98.2Very high86 Ų8688 Ų8853%0.52844%0.444SS..EExtended strand (participates in β ladder)trans-88.6125.3172.9-60.20000109.9C171C171-T509 VanDerWaalsContact SG-CG2 3.6Å
510V98.8Very high98.2Very high46 Ų4684.8 Ų84.828%0.27944%0.436SS..EExtended strand (participates in β ladder)trans-109.6118.3174.2-1770000107.9C171 F172 L174C171-V510 WeakPolarHBondContact CA-O 3.35Å; F172-V510 HydrophobicContact CD1-CB 4.43Å; F172-V510 HydrophobicContact CD2-CB 4.24Å; F172-V510 HydrophobicContact CE1-CB 4Å; F172-V510 HydrophobicContact CE1-CG1 3.87Å; F172-V510 HydrophobicContact CE2-CB 3.78Å; F172-V510 HydrophobicContact CE2-CG1 4.24Å; F172-V510 HydrophobicContact CE2-CG2 3.93Å; F172-V510 HydrophobicContact CZ-CB 3.65Å; F172-V510 HydrophobicContact CZ-CG1 3.61Å; F172-V510 HydrophobicContact CZ-CG2 4.15Å; F172-V510 PolarHBondContact N-O 3.32Å; F172-V510 PolarHBondContact O-N 2.93Å; L174-V510 HydrophobicContact CD1-CG2 4.15Å; L174-V510 HydrophobicContact CG-CG2 4.34Å
511T98.6Very high98.2Very high76 Ų7689.2 Ų89.247%0.46646%0.458SS..EExtended strand (participates in β ladder)trans-120.2122.3175-60.40000108.8Y169 M170 C171Y169-T511 HydrophobicContact CD1-CG2 3.91Å; Y169-T511 HydrophobicContact CG-CG2 4.08Å; M170-T511 WeakPolarHBondContact O-CA 3.37Å; C171-T511 PolarHBondContact SG-OG1 3.28Å
512T98.3Very high98.1Very high70 Ų7094.1 Ų94.143%0.42948%0.484SS..EExtended strand (participates in β ladder)trans-121140.2176-173.20000110.5Y169 M170 I514Y169-T512 VanDerWaalsContact CA-O 3.32Å; Y169-T512 WeakPolarHBondContact CA-O 3.33Å; M170-T512 HydrophobicContact CB-CG2 3.95Å; M170-T512 PolarHBondContact N-O 3.48Å; M170-T512 PolarHBondContact O-N 2.93Å; T512-I514 HydrophobicContact CG2-CG2 4.45Å
513R98.2Very high98.1Very high203 Ų20388.4 Ų88.477%0.76647%0.469SS*.EExtended strand (participates in β ladder)trans-68.5134.8173.3-179.2-179.8171.7-178.6-2108.8Y169Y169-R513 HydrophobicContact CD1-CB 4.14Å; Y169-R513 HydrophobicContact CE1-CB 4.01Å; Y169-R513 HydrophobicContact CE1-CG 4.39Å
514I98.1Very high98.1Very high53 Ų5392.1 Ų92.127%0.27249%0.489SS..  trans-119.7165.1171.259.3174.5000109.4N168 M170 T512 K517N168-I514 VanDerWaalsContact C-CG1 3.49Å; N168-I514 WeakPolarHBondContact CB-O 3.27Å; N168-I514 WeakPolarHBondContact O-CG1 3.32Å; N168-I514 PolarHBondContact O-N 3.33Å; M170-I514 HydrophobicContact CB-CD1 4.42Å; M170-I514 HydrophobicContact CB-CG2 3.88Å; T512-I514 HydrophobicContact CG2-CG2 4.45Å; I514-K517 HydrophobicContact CD1-CB 3.94Å; I514-K517 HydrophobicContact CD1-CG 4.4Å
515L97.6Very high98Very high167 Ų16798.1 Ų98.187%0.87452%0.521SS*.SBendtrans-66.4-48.6-178.9-68.2175.7000111.5N168N168-L515 PolarHBondContact ND2-O 3.06Å
516Q97.9Very high98Very high136 Ų136104.1 Ų104.164%0.63655%0.552SS**  trans-149.9123.5-179.4-173.8175.620.800109.2
517K97.6Very high97.9Very high76 Ų76107.2 Ų107.233%0.3357%0.572SS.*  trans-79.2138171.3-174.3-170.865.4169.30109.4V165 G167 N168 I514V165-K517 PolarHBondContact O-NZ 3.17Å; G167-K517 WeakPolarHBondContact O-CD 3.48Å; G167-K517 WeakPolarHBondContact O-CE 3.36Å; N168-K517 PolarHBondContact OD1-N 3.23Å; I514-K517 HydrophobicContact CD1-CB 3.94Å; I514-K517 HydrophobicContact CD1-CG 4.4Å
518N96.6Very high97.8Very high124 Ų124109.7 Ų109.766%0.66358%0.58SS**  trans-126.5152.5170.2-68-82.8000109.3
519S94.8Very high97.8Very high192 Ų192111.7 Ų111.7100%1.34360%0.599SS**  trans-83.1017957.80000113

Retrieved 519 of 519 residues in 131.4 ms (Link to these results)

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