A0A087X581_POEFO Loading...

Deoxyribonuclease TATDN1

Deoxyribonuclease which catalyzes (in vitro) the decatenation of kinetoplast DNA, which are circular DNA catenated to each other, producing linear DNA molecules. Plays an important role in chromosomal segregation and cell cycle progression during eye development probably via its DNA decatenation activity.

AlphaFold DB , UniProt , Accession A0A087X581, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 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
1M37.1Very low36.8Very low255 Ų255147.5 Ų147.5100%1.25687%0.872SS**  0123.50-102.6154.291.700108.1
2G35.9Very low36.8Very low80 Ų80143.6 Ų143.683%0.82586%0.855SS**  trans99.469.5163.300000117.7
3M32.6Very low36.7Very low172 Ų172151.2 Ų151.285%0.84786%0.86SS**  trans-72.4124.5156.3-85.4167.775.400109.3
4V37.9Very low36.3Very low149 Ų149149.3 Ų149.390%0.90385%0.853SS**  trans-87112.6160.3-179.80000107
5R36.7Very low36.3Very low221 Ų221148.9 Ų148.983%0.83485%0.845SS**  trans-77.6118.8178.3-78.8-179.9170.3-174.2-3.4109.8A7R5-A7 PolarHBondContact O-N 3.26Å
6A36.2Very low36.2Very low98 Ų98145.9 Ų145.981%0.8183%0.831SS**  trans-69.1119.6158.400000108.7C8A6-C8 PolarHBondContact O-N 2.74Å
7A33.6Very low36.3Very low101 Ų101145.5 Ų145.584%0.83583%0.833SS**  trans-78.294.9169.100000108R5 V9R5-A7 PolarHBondContact O-N 3.26Å; A7-V9 PolarHBondContact O-N 3.34Å
8C33.6Very low36.9Very low123 Ų123146.6 Ų146.683%0.83183%0.832SS**  trans-72.9121.6171.6-158.60000108.5A6 A10A6-C8 PolarHBondContact O-N 2.74Å; C8-A10 PolarHBondContact O-N 3.43Å
9V38.4Very low37.9Very low129 Ų129142.7 Ų142.778%0.78282%0.82SS**  trans-57114.9172.5174.70000108.7A7 F11A7-V9 PolarHBondContact O-N 3.34Å; V9-F11 PolarHBondContact O-N 3.33Å
10A38.5Very low39.9Very low96 Ų96141.7 Ų141.779%0.79381%0.807SS**  trans-94.788.217200000108.8C8C8-A10 PolarHBondContact O-N 3.43Å
11F43.7Very low42.5Very low199 Ų199135.8 Ų135.887%0.87377%0.774SS**  trans-145.784.9163.4-119.2-86.7000108.9V9V9-F11 PolarHBondContact O-N 3.33Å
12C37.3Very low45.3Very low100 Ų100128 Ų12868%0.67673%0.734SS**  trans-166.9103152-146.50000108.3
13R36.1Very low48.3Very low242 Ų242124.4 Ų124.491%0.91370%0.695SS**SBendtrans-112.9112.6157.5-88.1-174173-173.2-1.9106.9
14T30.7Very low51.5Low125 Ų125116.3 Ų116.377%0.76766%0.655SS**  trans57.974.9163.529.30000116.4T16T14-T16 VanDerWaalsContact C-N 3.26Å; T14-T16 PolarHBondContact O-N 3.4Å
15I36.3Very low54.4Low143 Ų143109.2 Ų109.273%0.73361%0.612SS**  trans-83.884143-57.2175.5000105.6T17I15-T17 PolarHBondContact O-N 2.96Å
16T35Very low57.4Low102 Ų10298.7 Ų98.763%0.62657%0.573SS**  trans-56131.3151.2-27.10000104.9T14 M18T14-T16 VanDerWaalsContact C-N 3.26Å; T14-T16 PolarHBondContact O-N 3.4Å; T16-M18 PolarHBondContact O-N 2.86Å
17T38Very low60.3Low139 Ų13994.1 Ų94.185%0.85354%0.535SS*.  trans-60.677.5178.744.70000110.3I15I15-T17 PolarHBondContact O-N 2.96Å
18M46.8Very low63.4Low165 Ų16589.3 Ų89.381%0.81350%0.495SS*.PPolyproline II helixtrans-68.8133158.4-64.7-153.8-164.900105.6T16 Q20T16-M18 PolarHBondContact O-N 2.86Å; M18-Q20 PolarHBondContact O-N 3.34Å
19A55.3Low66.5Low73 Ų7384.7 Ų84.760%0.60346%0.462SS*.PPolyproline II helixtrans-52.4116.3167.400000107.3C21 V296A19-C21 PolarHBondContact O-N 2.89Å; A19-V296 HydrophobicContact CB-CG1 4.38Å
20Q78.9Confident69.4Low121 Ų12178.7 Ų78.757%0.56543%0.425SS*.PPolyproline II helixtrans-71.4118.3179.2-172.5165.99.500107.5M18 K22 G58 I59M18-Q20 PolarHBondContact O-N 3.34Å; Q20-K22 PolarHBondContact O-N 3.43Å; Q20-G58 PolarHBondContact NE2-O 3.3Å; Q20-I59 VanDerWaalsContact NE2-C 3.35Å; Q20-I59 PolarHBondContact NE2-O 2.65Å
21C93.1Very high72.2Confident18 Ų1876.6 Ų76.612%0.12240%0.403CS..PPolyproline II helixtrans-55.4139.1174.6-65.10000109.5A19 F23 L284 A299A19-C21 PolarHBondContact O-N 2.89Å; C21-F23 HydrophobicContact CB-CE1 4.3Å; C21-F23 HydrophobicContact CB-CE2 3.64Å; C21-F23 HydrophobicContact CB-CZ 3.47Å; C21-F23 VanDerWaalsContact CB-CZ 3.47Å; C21-L284 HydrophobicContact CB-CD2 4.4Å; C21-A299 HydrophobicContact CB-CB 3.97Å
22K97.4Very high74.8Confident93 Ų9368.4 Ų68.440%0.40437%0.368SS..PPolyproline II helixtrans-100.2138.9175.2-63.6177.2172-124.80109.3Q20 G60 E62 Y303Q20-K22 PolarHBondContact O-N 3.43Å; K22-G60 WeakPolarHBondContact CA-O 3.27Å; K22-E62 WeakPolarHBondContact CD-OE1 3.43Å; K22-E62 VanDerWaalsContact CE-OE1 3.28Å; K22-E62 WeakPolarHBondContact CE-OE1 3.37Å; K22-E62 IonicContact NZ-OE1 2.69Å; K22-E62 PolarHBondContact NZ-OE1 3.43Å; K22-E62 IonicContact NZ-OE2 2.82Å; K22-Y303 HydrophobicContact CB-CD2 3.61Å; K22-Y303 HydrophobicContact CB-CE2 3.71Å; K22-Y303 HydrophobicContact CB-CG 4.25Å
23F98.7Very high77.7Confident4 Ų466.7 Ų66.72%0.01836%0.356CS..EExtended strand (participates in β ladder)trans-127.5146.8-179.3-57.2-78.9000111.5C21 G60 V61 E62 I280 I281 L284C21-F23 HydrophobicContact CB-CE1 4.3Å; C21-F23 HydrophobicContact CB-CE2 3.64Å; C21-F23 HydrophobicContact CB-CZ 3.47Å; C21-F23 VanDerWaalsContact CB-CZ 3.47Å; F23-G60 PolarHBondContact N-O 2.9Å; F23-V61 HydrophobicContact CB-CG2 4.09Å; F23-E62 PolarHBondContact O-N 2.78Å; F23-I280 HydrophobicContact CB-CD1 4.06Å; F23-I280 HydrophobicContact CB-CG2 4.02Å; F23-I280 HydrophobicContact CD1-CD1 4.42Å; F23-I280 HydrophobicContact CD1-CG1 4.17Å; F23-I280 HydrophobicContact CD1-CG2 3.97Å; F23-I280 HydrophobicContact CD2-CG2 3.94Å; F23-I280 HydrophobicContact CE1-CG2 4.44Å; F23-I280 HydrophobicContact CE2-CG2 4.43Å; F23-I280 HydrophobicContact CG-CG2 3.7Å; F23-I281 HydrophobicContact CE2-CD1 4.17Å; F23-I281 HydrophobicContact CZ-CB 4.5Å; F23-I281 HydrophobicContact CZ-CD1 3.64Å; F23-L284 HydrophobicContact CE1-CB 4.03Å; F23-L284 HydrophobicContact CE1-CD2 3.71Å; F23-L284 HydrophobicContact CE1-CG 4.33Å; F23-L284 HydrophobicContact CZ-CD2 3.72Å
24I98.9Very high80.7Confident2 Ų257 Ų571%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-119.8120.2158.8-61.4173.1000105.1I26 K63 Y303 T306 I307 F311I24-I26 HydrophobicContact CG2-CG2 4.25Å; I24-I26 PolarHBondContact O-N 3.05Å; I24-K63 WeakPolarHBondContact CA-O 3.43Å; I24-K63 HydrophobicContact CB-CB 4.41Å; I24-K63 HydrophobicContact CD1-CD 3.98Å; I24-K63 HydrophobicContact CG1-CB 4Å; I24-K63 HydrophobicContact CG1-CD 4.26Å; I24-K63 HydrophobicContact CG1-CG 4.28Å; I24-K63 HydrophobicContact CG2-CB 3.93Å; I24-Y303 HydrophobicContact CD1-CD2 4.12Å; I24-Y303 HydrophobicContact CD1-CE2 3.89Å; I24-Y303 HydrophobicContact CG1-CD2 3.82Å; I24-Y303 HydrophobicContact CG1-CE2 3.6Å; I24-T306 HydrophobicContact CB-CG2 3.74Å; I24-T306 HydrophobicContact CD1-CG2 3.79Å; I24-T306 HydrophobicContact CG1-CG2 4.35Å; I24-T306 HydrophobicContact CG2-CG2 3.53Å; I24-I307 HydrophobicContact CD1-CD1 3.58Å; I24-I307 HydrophobicContact CD1-CG1 3.86Å; I24-F311 HydrophobicContact CD1-CD2 4.06Å; I24-F311 HydrophobicContact CD1-CE2 4Å; I24-F311 HydrophobicContact CG2-CE2 3.98Å; I24-F311 HydrophobicContact CG2-CZ 4.43Å
25D98.9Very high83.9Confident0 Ų051.1 Ų51.10%029%0.285CS..EExtended strand (participates in β ladder)trans-84.2103173.3-164.8-15.1000107.9G27 V61 K63 M65 E237 T238 I280D25-G27 PolarHBondContact O-N 2.83Å; D25-G27 PolarHBondContact OD1-N 3.27Å; D25-V61 HydrophobicContact CB-CG1 4.48Å; D25-K63 PolarHBondContact N-O 3.4Å; D25-M65 PolarHBondContact O-N 2.92Å; D25-E237 WeakPolarHBondContact OD1-CA 3.23Å; D25-E237 WeakPolarHBondContact OD1-CB 3.3Å; D25-T238 PolarHBondContact OD1-N 3.47Å; D25-T238 WeakPolarHBondContact OD2-CB 2.82Å; D25-T238 VanDerWaalsContact OD2-CG2 3.26Å; D25-T238 WeakPolarHBondContact OD2-CG2 3.12Å; D25-T238 PolarHBondContact OD2-OG1 2.7Å; D25-I280 HydrophobicContact CB-CD1 3.76Å
26I98.9Very high86.9Confident0 Ų048.5 Ų48.50%027%0.266CS..EExtended strand (participates in β ladder)trans-73.9-13.2-174.566.3161.2000113.5I24 M65 F164 V189 M235 I236 E237 T306 F310I24-I26 HydrophobicContact CG2-CG2 4.25Å; I24-I26 PolarHBondContact O-N 3.05Å; I26-M65 HydrophobicContact CB-CE 4.28Å; I26-M65 HydrophobicContact CB-SD 3.94Å; I26-M65 HydrophobicContact CG2-SD 3.98Å; I26-M65 WeakPolarHBondContact O-CB 3.24Å; I26-F164 HydrophobicContact CB-CE2 4.47Å; I26-F164 HydrophobicContact CD1-CE2 4.21Å; I26-F164 HydrophobicContact CG1-CE2 4.3Å; I26-F164 WeakPolarHBondContact O-CE2 3.3Å; I26-V189 HydrophobicContact CD1-CB 4.4Å; I26-V189 HydrophobicContact CD1-CG1 3.91Å; I26-V189 HydrophobicContact CD1-CG2 3.78Å; I26-M235 HydrophobicContact CD1-CB 3.65Å; I26-M235 HydrophobicContact CD1-CG 4.48Å; I26-M235 HydrophobicContact CD1-SD 3.99Å; I26-M235 HydrophobicContact CG1-CB 4.46Å; I26-M235 HydrophobicContact CG2-CB 4.49Å; I26-M235 HydrophobicContact CG2-SD 4.16Å; I26-I236 PolarHBondContact N-O 3.42Å; I26-E237 HydrophobicContact CG1-CB 3.66Å; I26-E237 HydrophobicContact CG1-CG 4.26Å; I26-T306 HydrophobicContact CG2-CG2 3.38Å; I26-F310 HydrophobicContact CG2-CE2 4.46Å
27G98.7Very high89.8Confident1 Ų143.7 Ų43.71%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-148.298-176.900000111D25 E237 D239D25-G27 PolarHBondContact O-N 2.83Å; D25-G27 PolarHBondContact OD1-N 3.27Å; G27-E237 WeakPolarHBondContact CA-OE2 3.46Å; G27-D239 WeakPolarHBondContact O-CA 3.47Å; G27-D239 PolarHBondContact O-N 3.24Å
28V98.8Very high92.7Very high0 Ų039.7 Ų39.70%021%0.21CC..EExtended strand (participates in β ladder)trans-136.7131.5176.558.30000111.2L30 F64 M65 I66 T67 A240 P277V28-L30 VanDerWaalsContact C-N 3.31Å; V28-L30 HydrophobicContact CB-CG 4.46Å; V28-L30 HydrophobicContact CG1-CD1 4.38Å; V28-L30 HydrophobicContact CG1-CG 4.01Å; V28-L30 HydrophobicContact CG2-CD2 3.58Å; V28-L30 HydrophobicContact CG2-CG 3.64Å; V28-L30 PolarHBondContact O-N 2.98Å; V28-L30 VanDerWaalsContact O-N 3.11Å; V28-F64 HydrophobicContact CG1-CB 4.01Å; V28-F64 HydrophobicContact CG1-CD1 4.32Å; V28-M65 WeakPolarHBondContact CG1-O 3.31Å; V28-M65 PolarHBondContact N-O 3.37Å; V28-M65 VanDerWaalsContact N-O 3.11Å; V28-I66 VanDerWaalsContact O-CA 3.31Å; V28-I66 WeakPolarHBondContact O-CA 3.36Å; V28-T67 PolarHBondContact O-N 2.95Å; V28-A240 HydrophobicContact CG2-CB 4.36Å; V28-P277 HydrophobicContact CG2-CG 3.66Å
29N98.8Very high95Very high26 Ų2634.3 Ų34.314%0.13918%0.181CC..  trans-91.759.1-177.1-51.5-78.4000110.9T31 D32 F35 D239 A240N29-T31 PolarHBondContact O-N 3.32Å; N29-T31 VanDerWaalsContact O-N 3.09Å; N29-D32 HydrophobicContact CB-CB 4.3Å; N29-D32 WeakPolarHBondContact O-CB 3.26Å; N29-D32 PolarHBondContact O-N 2.97Å; N29-F35 WeakPolarHBondContact O-CE2 3.21Å; N29-D239 PolarHBondContact ND2-O 3.11Å; N29-D239 PolarHBondContact ND2-OD1 3.45Å; N29-A240 WeakPolarHBondContact CA-O 3.35Å; N29-A240 VanDerWaalsContact CB-O 3.24Å; N29-A240 WeakPolarHBondContact CB-O 3.36Å; N29-A240 PolarHBondContact N-O 3.23Å; N29-A240 PolarHBondContact ND2-O 2.96Å; N29-A240 VanDerWaalsContact ND2-O 3.11Å
30L98.6Very high96.8Very high3 Ų343 Ų432%0.01620%0.198CC..THydrogen-bonded Turntrans-63.7-16.2-175.4-70-175000114.3V28 F35 F49 I53 F64 I66 L80 F87 P277V28-L30 VanDerWaalsContact C-N 3.31Å; V28-L30 HydrophobicContact CB-CG 4.46Å; V28-L30 HydrophobicContact CG1-CD1 4.38Å; V28-L30 HydrophobicContact CG1-CG 4.01Å; V28-L30 HydrophobicContact CG2-CD2 3.58Å; V28-L30 HydrophobicContact CG2-CG 3.64Å; V28-L30 PolarHBondContact O-N 2.98Å; V28-L30 VanDerWaalsContact O-N 3.11Å; L30-F35 HydrophobicContact CD2-CD2 4.22Å; L30-F35 HydrophobicContact CD2-CE2 4.06Å; L30-F49 HydrophobicContact CB-CE2 4.13Å; L30-F49 HydrophobicContact CB-CZ 4.36Å; L30-F49 HydrophobicContact CD1-CZ 4.36Å; L30-F49 HydrophobicContact CD2-CE2 4.26Å; L30-I53 HydrophobicContact CD1-CD1 3.87Å; L30-I53 HydrophobicContact CD2-CD1 3.92Å; L30-F64 HydrophobicContact CD1-CB 4.26Å; L30-F64 HydrophobicContact CD1-CD1 4.19Å; L30-F64 HydrophobicContact CD1-CG 4.39Å; L30-I66 HydrophobicContact CB-CD1 4.25Å; L30-I66 HydrophobicContact CB-CG1 4.11Å; L30-I66 HydrophobicContact CB-CG2 4.27Å; L30-I66 HydrophobicContact CD1-CD1 4.1Å; L30-I66 HydrophobicContact CD1-CG1 3.97Å; L30-I66 HydrophobicContact CG-CG1 4.29Å; L30-L80 HydrophobicContact CB-CD2 3.77Å; L30-F87 HydrophobicContact CD1-CD1 4.36Å; L30-F87 HydrophobicContact CD1-CE1 3.84Å; L30-F87 HydrophobicContact CD1-CE2 4.06Å; L30-F87 HydrophobicContact CD1-CZ 3.65Å; L30-P277 HydrophobicContact CD2-CG 4.18Å
31T98.3Very high97.4Very high53 Ų5340.8 Ų40.833%0.32521%0.207SC..THydrogen-bonded Turntrans-76.3-10.1171.349.10000113N29 I66 E76 A77 L80N29-T31 PolarHBondContact O-N 3.32Å; N29-T31 VanDerWaalsContact O-N 3.09Å; T31-I66 HydrophobicContact CG2-CG2 4.04Å; T31-E76 HydrophobicContact CG2-CB 4.28Å; T31-A77 HydrophobicContact CG2-CB 4.32Å; T31-L80 HydrophobicContact CG2-CD2 4.11Å
32D98.3Very high97.6Very high26 Ų2645.4 Ų45.414%0.13923%0.227CC..  trans-63.9130.8-178.5-169.8-71.4000111.3N29 M34 F35 P241N29-D32 HydrophobicContact CB-CB 4.3Å; N29-D32 WeakPolarHBondContact O-CB 3.26Å; N29-D32 PolarHBondContact O-N 2.97Å; D32-M34 PolarHBondContact O-N 3.49Å; D32-M34 VanDerWaalsContact O-N 3.09Å; D32-M34 WeakPolarHBondContact OD1-CB 3.34Å; D32-M34 WeakPolarHBondContact OD1-CG 3.48Å; D32-M34 PolarHBondContact OD1-N 2.97Å; D32-F35 HydrophobicContact CB-CD2 4.42Å; D32-F35 PolarHBondContact O-N 2.68Å; D32-F35 VanDerWaalsContact O-N 3.16Å; D32-P241 HydrophobicContact CB-CG 4Å
33P97.9Very high97.6Very high65 Ų6546.3 Ų46.342%0.42223%0.233SC..G310 helixtrans-60.9-20.3-17723.7-34.6000114.1F35 R36 G37 L38P33-F35 PolarHBondContact O-N 3.06Å; P33-R36 CarbonylContact O-C 3.54Å; P33-R36 WeakPolarHBondContact O-CA 3.12Å; P33-R36 PolarHBondContact O-N 2.77Å; P33-G37 PolarHBondContact O-N 3.04Å; P33-L38 CarbonylContact C-O 3.58Å; P33-L38 VanDerWaalsContact C-O 3.26Å; P33-L38 HydrophobicContact CB-CB 3.71Å; P33-L38 HydrophobicContact CB-CD1 4.49Å; P33-L38 WeakPolarHBondContact O-CB 3.39Å; P33-L38 PolarHBondContact O-N 3.14Å
34M98.1Very high97.5Very high39 Ų3952 Ų5219%0.19226%0.257CS..G310 helixtrans-60.2-28.2176.6-67.9-168.7-163.100112.9D32 R36 G37 L38 Y39 P241 W242 R274D32-M34 PolarHBondContact O-N 3.49Å; D32-M34 VanDerWaalsContact O-N 3.09Å; D32-M34 WeakPolarHBondContact OD1-CB 3.34Å; D32-M34 WeakPolarHBondContact OD1-CG 3.48Å; D32-M34 PolarHBondContact OD1-N 2.97Å; M34-R36 PolarHBondContact O-N 3.34Å; M34-G37 PolarHBondContact O-N 3.47Å; M34-L38 PolarHBondContact N-O 3.37Å; M34-Y39 HydrophobicContact CB-CE1 4.09Å; M34-Y39 HydrophobicContact CE-CD1 4.4Å; M34-Y39 HydrophobicContact CE-CE1 4.33Å; M34-Y39 HydrophobicContact CG-CD1 3.9Å; M34-Y39 HydrophobicContact CG-CE1 3.49Å; M34-Y39 VanDerWaalsContact CG-CE1 3.49Å; M34-Y39 HydrophobicContact SD-CD1 4.22Å; M34-Y39 HydrophobicContact SD-CE1 3.61Å; M34-P241 HydrophobicContact CB-CB 4.45Å; M34-P241 HydrophobicContact CB-CG 4.39Å; M34-P241 HydrophobicContact SD-CB 4.1Å; M34-P241 HydrophobicContact SD-CG 4.01Å; M34-W242 HydrophobicContact CE-CH2 3.46Å; M34-W242 VanDerWaalsContact CE-CH2 3.46Å; M34-W242 HydrophobicContact CE-CZ2 4.3Å; M34-W242 HydrophobicContact CE-CZ3 3.8Å; M34-R274 PolarHBondContact O-NH1 3.41Å
35F98.3Very high97.5Very high0 Ų052.7 Ų52.70%026%0.261CS..G310 helixtrans-78.8-9.8175.9-60.9-44.5000113.6N29 L30 D32 P33 F49 I52 A240 P241 R274 N275 E276N29-F35 WeakPolarHBondContact O-CE2 3.21Å; L30-F35 HydrophobicContact CD2-CD2 4.22Å; L30-F35 HydrophobicContact CD2-CE2 4.06Å; D32-F35 HydrophobicContact CB-CD2 4.42Å; D32-F35 PolarHBondContact O-N 2.68Å; D32-F35 VanDerWaalsContact O-N 3.16Å; P33-F35 PolarHBondContact O-N 3.06Å; F35-F49 HydrophobicContact CB-CD2 3.95Å; F35-F49 PolarHBondContact O-N 3.4Å; F35-I52 HydrophobicContact CB-CD1 3.87Å; F35-I52 HydrophobicContact CD1-CD1 3.48Å; F35-I52 VanDerWaalsContact CD1-CD1 3.48Å; F35-I52 HydrophobicContact CD1-CG1 4.49Å; F35-I52 HydrophobicContact CD1-CG2 4.47Å; F35-I52 HydrophobicContact CE1-CD1 4.36Å; F35-I52 HydrophobicContact CE1-CG2 4.48Å; F35-I52 HydrophobicContact CG-CD1 4.03Å; F35-A240 HydrophobicContact CZ-CB 3.89Å; F35-P241 HydrophobicContact CE1-CB 3.97Å; F35-P241 HydrophobicContact CE2-CB 4.46Å; F35-P241 HydrophobicContact CZ-CB 3.78Å; F35-P241 HydrophobicContact CZ-CG 4.32Å; F35-R274 HydrophobicContact CE1-CG 4.31Å; F35-N275 WeakPolarHBondContact CE1-O 3.43Å; F35-E276 HydrophobicContact CE1-CG 4.47Å
36R98.2Very high97.5Very high89 Ų8957.8 Ų57.834%0.33629%0.288SS..G310 helixtrans-103.99.5171.5-57.8-66.8-178.8178-3.2112P33 M34 L38 Q43 D47P33-R36 CarbonylContact O-C 3.54Å; P33-R36 WeakPolarHBondContact O-CA 3.12Å; P33-R36 PolarHBondContact O-N 2.77Å; M34-R36 PolarHBondContact O-N 3.34Å; R36-L38 VanDerWaalsContact C-N 3.26Å; R36-L38 HydrophobicContact CB-CD1 4.31Å; R36-L38 PolarHBondContact O-N 3.35Å; R36-Q43 PolarHBondContact O-NE2 2.93Å; R36-D47 VanDerWaalsContact CD-CG 3.49Å; R36-D47 WeakPolarHBondContact CD-OD2 3.31Å; R36-D47 IonicContact CZ-OD2 3.58Å; R36-D47 IonicContact NE-OD2 2.82Å; R36-D47 IonicContact NH1-OD1 3.41Å; R36-D47 IonicContact NH1-OD2 3.46Å; R36-D47 PolarHBondContact NH1-OD2 3.07Å
37G97.6Very high97.4Very high0 Ų061.6 Ų61.60%031%0.308CS..THydrogen-bonded Turntrans72.414.4-177.600000115.2P33 M34 K44 H45P33-G37 PolarHBondContact O-N 3.04Å; M34-G37 PolarHBondContact O-N 3.47Å; G37-K44 PolarHBondContact O-N 3Å; G37-H45 WeakPolarHBondContact CA-CE1 3.37Å
38L97.8Very high97.4Very high56 Ų5661.6 Ų61.629%0.29331%0.308SS..EExtended strand (participates in β ladder)trans-96.9121.2-179.9-71.9166.4000110.3P33 M34 R36 E42 Q43P33-L38 CarbonylContact C-O 3.58Å; P33-L38 VanDerWaalsContact C-O 3.26Å; P33-L38 HydrophobicContact CB-CB 3.71Å; P33-L38 HydrophobicContact CB-CD1 4.49Å; P33-L38 WeakPolarHBondContact O-CB 3.39Å; P33-L38 PolarHBondContact O-N 3.14Å; M34-L38 PolarHBondContact N-O 3.37Å; R36-L38 VanDerWaalsContact C-N 3.26Å; R36-L38 HydrophobicContact CB-CD1 4.31Å; R36-L38 PolarHBondContact O-N 3.35Å; L38-E42 WeakPolarHBondContact CA-O 3.32Å; L38-Q43 HydrophobicContact CD2-CB 4.22Å; L38-Q43 VanDerWaalsContact CD2-OE1 3.27Å
39Y95.5Very high97.4Very high52 Ų5261.9 Ų61.920%0.20431%0.309CS..EExtended strand (participates in β ladder)trans-125.3118.4177.6-67.3-100.7000109.4M34 G41 E42 K44 H45 L271 R274M34-Y39 HydrophobicContact CB-CE1 4.09Å; M34-Y39 HydrophobicContact CE-CD1 4.4Å; M34-Y39 HydrophobicContact CE-CE1 4.33Å; M34-Y39 HydrophobicContact CG-CD1 3.9Å; M34-Y39 HydrophobicContact CG-CE1 3.49Å; M34-Y39 VanDerWaalsContact CG-CE1 3.49Å; M34-Y39 HydrophobicContact SD-CD1 4.22Å; M34-Y39 HydrophobicContact SD-CE1 3.61Å; Y39-G41 PolarHBondContact O-N 3.26Å; Y39-E42 PolarHBondContact N-O 2.67Å; Y39-E42 PolarHBondContact O-N 2.94Å; Y39-E42 VanDerWaalsContact O-N 3.08Å; Y39-K44 HydrophobicContact CD2-CB 3.8Å; Y39-K44 HydrophobicContact CD2-CG 3.7Å; Y39-K44 HydrophobicContact CE2-CB 4.39Å; Y39-K44 HydrophobicContact CG-CG 4.08Å; Y39-H45 AromaticContact CE2-CD2 3.87Å; Y39-H45 AromaticContact CE2-NE2 3.55Å; Y39-L271 WeakPolarHBondContact OH-CD2 3.32Å; Y39-R274 WeakPolarHBondContact OH-CD 3.08Å
40R92.8Very high97.4Very high256 Ų25666 Ų6697%0.96633%0.331SS*.THydrogen-bonded Turntrans52.738.5-178-55.8179.6179.5-179.1-2112.8E42R40-E42 VanDerWaalsContact C-N 3.34Å
41G92.3Very high97.3Very high73 Ų7369.1 Ų69.175%0.75335%0.346SS*.THydrogen-bonded Turntrans82.60.9179.600000115.6Y39Y39-G41 PolarHBondContact O-N 3.26Å
42E96.4Very high97.4Very high115 Ų11566.6 Ų66.654%0.53733%0.33SS..EExtended strand (participates in β ladder)trans-111.3134.1179.7-65.1-179-179.600111.6L38 Y39 R40 K44L38-E42 WeakPolarHBondContact CA-O 3.32Å; Y39-E42 PolarHBondContact N-O 2.67Å; Y39-E42 PolarHBondContact O-N 2.94Å; Y39-E42 VanDerWaalsContact O-N 3.08Å; R40-E42 VanDerWaalsContact C-N 3.34Å; E42-K44 HydrophobicContact CB-CD 4.49Å; E42-K44 PolarHBondContact O-N 2.72Å; E42-K44 WeakPolarHBondContact OE2-CE 3.4Å; E42-K44 IonicContact OE2-NZ 3.29Å; E42-K44 PolarHBondContact OE2-NZ 3.22Å
43Q97.8Very high97.4Very high112 Ų11265.4 Ų65.452%0.52332%0.324SS..EExtended strand (participates in β ladder)trans-69.5114.6172.3-164.375.244.800109.5R36 L38 H45R36-Q43 PolarHBondContact O-NE2 2.93Å; L38-Q43 HydrophobicContact CD2-CB 4.22Å; L38-Q43 VanDerWaalsContact CD2-OE1 3.27Å; Q43-H45 PolarHBondContact NE2-O 2.86Å
44K97.8Very high97.4Very high123 Ų12364.3 Ų64.354%0.53532%0.324SS..  trans-103.2-25.5-178.7-63.4-55.8-175.1-173.90113.8G37 Y39 E42G37-K44 PolarHBondContact O-N 3Å; Y39-K44 HydrophobicContact CD2-CB 3.8Å; Y39-K44 HydrophobicContact CD2-CG 3.7Å; Y39-K44 HydrophobicContact CE2-CB 4.39Å; Y39-K44 HydrophobicContact CG-CG 4.08Å; E42-K44 HydrophobicContact CB-CD 4.49Å; E42-K44 PolarHBondContact O-N 2.72Å; E42-K44 WeakPolarHBondContact OE2-CE 3.4Å; E42-K44 IonicContact OE2-NZ 3.29Å; E42-K44 PolarHBondContact OE2-NZ 3.22Å
45H98Very high97.4Very high18 Ų1864.4 Ų64.48%0.08332%0.322CS..SBendtrans-157.6173175.861.979.4000109.9G37 Y39 Q43 D48 W265 R274G37-H45 WeakPolarHBondContact CA-CE1 3.37Å; Y39-H45 AromaticContact CE2-CD2 3.87Å; Y39-H45 AromaticContact CE2-NE2 3.55Å; Q43-H45 PolarHBondContact NE2-O 2.86Å; H45-D48 IonicContact CE1-OD1 3.65Å; H45-D48 PolarHBondContact CE1-OD1 2.95Å; H45-W265 HydrophobicContact CB-CB 3.39Å; H45-W265 HydrophobicContact CB-CD2 3.8Å; H45-W265 HydrophobicContact CB-CE3 4.14Å; H45-W265 HydrophobicContact CB-CG 3.46Å; H45-W265 VanDerWaalsContact CB-CG 3.46Å; H45-W265 AromaticContact CD2-CD1 3.95Å; H45-W265 AromaticContact CE1-CD1 3.52Å; H45-W265 AromaticContact CE1-NE1 3.9Å; H45-W265 AromaticContact CG-CD1 3.55Å; H45-W265 AromaticContact CG-CG 3.46Å; H45-W265 VanDerWaalsContact CG-CG 3.46Å; H45-W265 AromaticContact ND1-CD1 3.28Å; H45-W265 VanDerWaalsContact ND1-CD1 3.28Å; H45-W265 AromaticContact ND1-CG 3.61Å; H45-W265 AromaticContact ND1-NE1 3.54Å; H45-W265 AromaticContact NE2-CD1 3.94Å; H45-R274 PolarHBondContact CE1-NH1 3.44Å
46D97.8Very high97.4Very high107 Ų10764.4 Ų64.457%0.57232%0.322SS*.  trans-64.1152.4179.6-58.9-30000111.8D48 W265D46-D48 PolarHBondContact O-N 3.32Å; D46-W265 HydrophobicContact CB-CH2 3.75Å; D46-W265 HydrophobicContact CB-CZ2 4.12Å; D46-W265 HydrophobicContact CB-CZ3 4.15Å
47D98.3Very high97.4Very high79 Ų7963.1 Ų63.142%0.42232%0.322SS..  trans-60120.2171.8-175.9-15.3000109.8R36 F49R36-D47 VanDerWaalsContact CD-CG 3.49Å; R36-D47 WeakPolarHBondContact CD-OD2 3.31Å; R36-D47 IonicContact CZ-OD2 3.58Å; R36-D47 IonicContact NE-OD2 2.82Å; R36-D47 IonicContact NH1-OD1 3.41Å; R36-D47 IonicContact NH1-OD2 3.46Å; R36-D47 PolarHBondContact NH1-OD2 3.07Å; D47-F49 WeakPolarHBondContact OD1-CB 3.4Å; D47-F49 PolarHBondContact OD1-N 3.12Å
48D98.2Very high97.4Very high2 Ų265.6 Ų65.61%0.01135%0.348CS..  trans-119.819.1-178.872-32.8000113.3H45 D46 D50 Q51 I52 W265 R274H45-D48 IonicContact CE1-OD1 3.65Å; H45-D48 PolarHBondContact CE1-OD1 2.95Å; D46-D48 PolarHBondContact O-N 3.32Å; D48-D50 PolarHBondContact O-N 2.92Å; D48-Q51 HydrophobicContact CB-CB 4.47Å; D48-Q51 WeakPolarHBondContact O-CA 3.17Å; D48-Q51 WeakPolarHBondContact O-CB 3.44Å; D48-Q51 PolarHBondContact O-N 3.44Å; D48-I52 WeakPolarHBondContact O-CG1 3.01Å; D48-I52 PolarHBondContact O-N 3.39Å; D48-I52 WeakPolarHBondContact OD1-CD1 3.43Å; D48-W265 HydrophobicContact CB-CZ2 4.07Å; D48-W265 PolarHBondContact OD2-NE1 3.01Å; D48-W265 VanDerWaalsContact OD2-NE1 3.08Å; D48-R274 IonicContact OD1-CZ 2.81Å; D48-R274 IonicContact OD1-NH1 3.55Å; D48-R274 PolarHBondContact OD1-NH1 3.07Å; D48-R274 IonicContact OD1-NH2 3.62Å; D48-R274 PolarHBondContact OD1-NH2 3.33Å; D48-R274 IonicContact OD2-CZ 3.85Å; D48-R274 IonicContact OD2-NH1 2.86Å; D48-R274 PolarHBondContact OD2-NH1 3.44Å; D48-R274 IonicContact OD2-NH2 2.75Å; D48-R274 PolarHBondContact OD2-NH2 3.11Å
49F98.4Very high97.4Very high6 Ų664.8 Ų64.83%0.02634%0.343CS..Hα-helixtrans-50.6-51.3-177.9-173.3-94.1000112.6L30 F35 D47 Q51 I52 I53 L80 F87L30-F49 HydrophobicContact CB-CE2 4.13Å; L30-F49 HydrophobicContact CB-CZ 4.36Å; L30-F49 HydrophobicContact CD1-CZ 4.36Å; L30-F49 HydrophobicContact CD2-CE2 4.26Å; F35-F49 HydrophobicContact CB-CD2 3.95Å; F35-F49 PolarHBondContact O-N 3.4Å; D47-F49 WeakPolarHBondContact OD1-CB 3.4Å; D47-F49 PolarHBondContact OD1-N 3.12Å; F49-Q51 VanDerWaalsContact C-N 3.25Å; F49-Q51 PolarHBondContact O-N 2.88Å; F49-I52 WeakPolarHBondContact O-CB 3.23Å; F49-I52 PolarHBondContact O-N 2.64Å; F49-I52 VanDerWaalsContact O-N 3.12Å; F49-I53 HydrophobicContact CD1-CG1 4.09Å; F49-I53 HydrophobicContact CE1-CD1 4.33Å; F49-I53 HydrophobicContact CE1-CG1 3.76Å; F49-I53 HydrophobicContact CZ-CD1 4.15Å; F49-I53 HydrophobicContact CZ-CG1 4.07Å; F49-I53 WeakPolarHBondContact O-CG1 3.5Å; F49-I53 PolarHBondContact O-N 3.21Å; F49-L80 HydrophobicContact CE1-CD1 4.35Å; F49-L80 HydrophobicContact CE2-CD2 4.38Å; F49-L80 HydrophobicContact CZ-CD1 3.98Å; F49-L80 HydrophobicContact CZ-CD2 4.13Å; F49-F87 HydrophobicContact CE1-CE2 4.16Å; F49-F87 HydrophobicContact CE1-CZ 4.3Å; F49-F87 HydrophobicContact CZ-CE2 4.02Å; F49-F87 HydrophobicContact CZ-CZ 4.19Å
50D98.3Very high97.5Very high113 Ų11362.8 Ų62.860%0.60434%0.338SS*.Hα-helixtrans-65.1-29.2-179.3-72.5-37.1000112.9D48 G54 R84D48-D50 PolarHBondContact O-N 2.92Å; D50-G54 PolarHBondContact O-N 2.94Å; D50-R84 IonicContact OD1-NH1 2.92Å
51Q98.4Very high97.8Very high68 Ų6850.7 Ų50.732%0.31829%0.293SS..Hα-helixtrans-71.1-39.4175.1-59.2-179.754.900111D48 F49 G54 R55D48-Q51 HydrophobicContact CB-CB 4.47Å; D48-Q51 WeakPolarHBondContact O-CA 3.17Å; D48-Q51 WeakPolarHBondContact O-CB 3.44Å; D48-Q51 PolarHBondContact O-N 3.44Å; F49-Q51 VanDerWaalsContact C-N 3.25Å; F49-Q51 PolarHBondContact O-N 2.88Å; Q51-G54 PolarHBondContact O-N 3.04Å; Q51-R55 WeakPolarHBondContact O-CG 3.42Å; Q51-R55 PolarHBondContact O-N 3.3Å
52I98.7Very high98.1Very high0 Ų050.3 Ų50.30%027%0.272CS..Hα-helixtrans-61.3-49175-65.1153.8000110.1F35 D48 F49 G54 R55 A56 E276F35-I52 HydrophobicContact CB-CD1 3.87Å; F35-I52 HydrophobicContact CD1-CD1 3.48Å; F35-I52 VanDerWaalsContact CD1-CD1 3.48Å; F35-I52 HydrophobicContact CD1-CG1 4.49Å; F35-I52 HydrophobicContact CD1-CG2 4.47Å; F35-I52 HydrophobicContact CE1-CD1 4.36Å; F35-I52 HydrophobicContact CE1-CG2 4.48Å; F35-I52 HydrophobicContact CG-CD1 4.03Å; D48-I52 WeakPolarHBondContact O-CG1 3.01Å; D48-I52 PolarHBondContact O-N 3.39Å; D48-I52 WeakPolarHBondContact OD1-CD1 3.43Å; F49-I52 WeakPolarHBondContact O-CB 3.23Å; F49-I52 PolarHBondContact O-N 2.64Å; F49-I52 VanDerWaalsContact O-N 3.12Å; I52-G54 PolarHBondContact O-N 3.04Å; I52-R55 VanDerWaalsContact CG1-NH2 3.31Å; I52-R55 PolarHBondContact O-N 3.4Å; I52-A56 PolarHBondContact O-N 2.92Å; I52-A56 VanDerWaalsContact O-N 3.12Å; I52-E276 HydrophobicContact CG1-CG 4.48Å; I52-E276 HydrophobicContact CG2-CB 4.17Å; I52-E276 HydrophobicContact CG2-CG 4.15Å
53I98.6Very high98.2Very high1 Ų146.8 Ų46.81%0.00525%0.254CS..Hα-helixtrans-63.2-43.1177.6-58.9-53.9000110.7L30 F49 R55 A56 L57 F64 F87L30-I53 HydrophobicContact CD1-CD1 3.87Å; L30-I53 HydrophobicContact CD2-CD1 3.92Å; F49-I53 HydrophobicContact CD1-CG1 4.09Å; F49-I53 HydrophobicContact CE1-CD1 4.33Å; F49-I53 HydrophobicContact CE1-CG1 3.76Å; F49-I53 HydrophobicContact CZ-CD1 4.15Å; F49-I53 HydrophobicContact CZ-CG1 4.07Å; F49-I53 WeakPolarHBondContact O-CG1 3.5Å; F49-I53 PolarHBondContact O-N 3.21Å; I53-R55 VanDerWaalsContact C-N 3.32Å; I53-R55 PolarHBondContact O-N 3.45Å; I53-A56 PolarHBondContact O-N 3.18Å; I53-A56 VanDerWaalsContact O-N 3.13Å; I53-L57 HydrophobicContact CG2-CD1 4.03Å; I53-L57 HydrophobicContact CG2-CG 4.18Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 3.48Å; I53-F64 HydrophobicContact CD1-CE1 4.31Å; I53-F87 HydrophobicContact CD1-CE1 4.01Å; I53-F87 HydrophobicContact CD1-CZ 3.57Å; I53-F87 HydrophobicContact CG1-CZ 3.88Å; I53-F87 HydrophobicContact CG2-CE1 4.33Å; I53-F87 HydrophobicContact CG2-CZ 4.22Å
54G98.4Very high98.2Very high41 Ų4141.4 Ų41.442%0.42323%0.229SC..Hα-helixtrans-57.8-41.1176.100000113.4D50 Q51 I52 G58D50-G54 PolarHBondContact O-N 2.94Å; Q51-G54 PolarHBondContact O-N 3.04Å; I52-G54 PolarHBondContact O-N 3.04Å; G54-G58 PolarHBondContact O-N 3.15Å
55R98.5Very high98.3Very high42 Ų4235.6 Ų35.616%0.15820%0.204CC..Hα-helixtrans-63.8-41.5174.4-74.1-173.5-69.7-89.910.4112.2Q51 I52 I53 G58 I59 E276 C278Q51-R55 WeakPolarHBondContact O-CG 3.42Å; Q51-R55 PolarHBondContact O-N 3.3Å; I52-R55 VanDerWaalsContact CG1-NH2 3.31Å; I52-R55 PolarHBondContact O-N 3.4Å; I53-R55 VanDerWaalsContact C-N 3.32Å; I53-R55 PolarHBondContact O-N 3.45Å; R55-G58 PolarHBondContact O-N 2.81Å; R55-I59 PolarHBondContact O-N 2.92Å; R55-E276 IonicContact CZ-OE1 3.76Å; R55-E276 IonicContact CZ-OE2 2.77Å; R55-E276 IonicContact NE-OE2 3.66Å; R55-E276 PolarHBondContact NE-OE2 2.82Å; R55-E276 IonicContact NH2-OE1 3.54Å; R55-E276 PolarHBondContact NH2-OE1 3.06Å; R55-E276 IonicContact NH2-OE2 3.52Å; R55-E276 PolarHBondContact NH2-OE2 2.69Å; R55-C278 HydrophobicContact CB-CB 3.92Å
56A98.6Very high98.3Very high0 Ų034.7 Ų34.70%020%0.2CC..Hα-helixtrans-66.9-46.4179.500000112.4I52 I53 G58 I59 G60 V61 F64 P277 C278I52-A56 PolarHBondContact O-N 2.92Å; I52-A56 VanDerWaalsContact O-N 3.12Å; I53-A56 PolarHBondContact O-N 3.18Å; I53-A56 VanDerWaalsContact O-N 3.13Å; A56-G58 VanDerWaalsContact C-N 3.26Å; A56-G58 PolarHBondContact O-N 3Å; A56-I59 VanDerWaalsContact O-CG2 3.29Å; A56-I59 WeakPolarHBondContact O-CG2 3.32Å; A56-I59 PolarHBondContact O-N 2.94Å; A56-G60 PolarHBondContact O-N 3.42Å; A56-V61 HydrophobicContact CB-CB 4.21Å; A56-V61 HydrophobicContact CB-CG2 4.07Å; A56-V61 WeakPolarHBondContact O-CB 3.28Å; A56-V61 WeakPolarHBondContact O-CG2 3.38Å; A56-V61 PolarHBondContact O-N 2.91Å; A56-F64 HydrophobicContact CB-CE1 3.7Å; A56-F64 HydrophobicContact CB-CZ 3.68Å; A56-P277 HydrophobicContact CB-CB 3.78Å; A56-C278 HydrophobicContact CB-CB 4.4Å
57L98.3Very high98.4Very high61 Ų6130 Ų3032%0.31918%0.175SC..Hα-helixtrans-59.7-41.1172.7-63.8177.5000110.8I53 I59 G60 V61 F64 E86I53-L57 HydrophobicContact CG2-CD1 4.03Å; I53-L57 HydrophobicContact CG2-CG 4.18Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 3.48Å; L57-I59 VanDerWaalsContact C-N 3.26Å; L57-I59 PolarHBondContact O-N 3.19Å; L57-G60 PolarHBondContact O-N 3.36Å; L57-G60 VanDerWaalsContact O-N 3.08Å; L57-V61 VanDerWaalsContact CD2-O 3.26Å; L57-V61 WeakPolarHBondContact CD2-O 3.32Å; L57-F64 HydrophobicContact CD2-CE2 3.9Å; L57-F64 HydrophobicContact CD2-CZ 4.23Å; L57-E86 HydrophobicContact CD2-CG 4.39Å
58G97.2Very high98.4Very high53 Ų5326.2 Ų26.255%0.54616%0.155SC..Hα-helixtrans-62.2-25.9179.100000114.9Q20 G54 R55 A56Q20-G58 PolarHBondContact NE2-O 3.3Å; G54-G58 PolarHBondContact O-N 3.15Å; R55-G58 PolarHBondContact O-N 2.81Å; A56-G58 VanDerWaalsContact C-N 3.26Å; A56-G58 PolarHBondContact O-N 3Å
59I97Very high98.4Very high38 Ų3826.7 Ų26.720%0.19516%0.16CC..Hα-helixtrans-91.1-11.4175.3-156.662.3000113.2Q20 R55 A56 L57 V61 F259 C278 I281Q20-I59 VanDerWaalsContact NE2-C 3.35Å; Q20-I59 PolarHBondContact NE2-O 2.65Å; R55-I59 PolarHBondContact O-N 2.92Å; A56-I59 VanDerWaalsContact O-CG2 3.29Å; A56-I59 WeakPolarHBondContact O-CG2 3.32Å; A56-I59 PolarHBondContact O-N 2.94Å; L57-I59 VanDerWaalsContact C-N 3.26Å; L57-I59 PolarHBondContact O-N 3.19Å; I59-V61 HydrophobicContact CG2-CG2 4.12Å; I59-F259 HydrophobicContact CG1-CZ 4.46Å; I59-C278 HydrophobicContact CG2-CB 4.22Å; I59-I281 HydrophobicContact CD1-CG1 4.48Å; I59-I281 HydrophobicContact CD1-CG2 4.45Å; I59-I281 HydrophobicContact CG1-CB 3.89Å; I59-I281 HydrophobicContact CG1-CG1 4.28Å; I59-I281 HydrophobicContact CG1-CG2 4Å
60G97.9Very high98.4Very high10 Ų1026.8 Ų26.810%0.10316%0.161CC..THydrogen-bonded Turntrans112.71517700000115.2K22 F23 A56 L57 E62K22-G60 WeakPolarHBondContact CA-O 3.27Å; F23-G60 PolarHBondContact N-O 2.9Å; A56-G60 PolarHBondContact O-N 3.42Å; L57-G60 PolarHBondContact O-N 3.36Å; L57-G60 VanDerWaalsContact O-N 3.08Å; G60-E62 PolarHBondContact O-N 2.83Å
61V98.7Very high98.4Very high2 Ų222.6 Ų22.61%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-69.4119.7169.6-174.40000108.9F23 D25 A56 L57 I59 K63 F64 I280F23-V61 HydrophobicContact CB-CG2 4.09Å; D25-V61 HydrophobicContact CB-CG1 4.48Å; A56-V61 HydrophobicContact CB-CB 4.21Å; A56-V61 HydrophobicContact CB-CG2 4.07Å; A56-V61 WeakPolarHBondContact O-CB 3.28Å; A56-V61 WeakPolarHBondContact O-CG2 3.38Å; A56-V61 PolarHBondContact O-N 2.91Å; L57-V61 VanDerWaalsContact CD2-O 3.26Å; L57-V61 WeakPolarHBondContact CD2-O 3.32Å; I59-V61 HydrophobicContact CG2-CG2 4.12Å; V61-K63 WeakPolarHBondContact CG1-O 3.39Å; V61-F64 HydrophobicContact CB-CE1 4.3Å; V61-F64 HydrophobicContact CB-CE2 4.39Å; V61-F64 HydrophobicContact CB-CZ 3.89Å; V61-F64 HydrophobicContact CG1-CD1 4.04Å; V61-F64 HydrophobicContact CG1-CD2 4.14Å; V61-F64 HydrophobicContact CG1-CE1 3.63Å; V61-F64 HydrophobicContact CG1-CE2 3.72Å; V61-F64 HydrophobicContact CG1-CG 4.29Å; V61-F64 HydrophobicContact CG1-CZ 3.45Å; V61-F64 VanDerWaalsContact CG1-CZ 3.45Å; V61-I280 HydrophobicContact CG2-CG2 3.8Å
62E98.6Very high98.4Very high66 Ų6624 Ų2431%0.30815%0.145SC..EExtended strand (participates in β ladder)trans-104-25-178.7-66.2-170.9165.200112.7K22 F23 G60 E86 Y303K22-E62 WeakPolarHBondContact CD-OE1 3.43Å; K22-E62 VanDerWaalsContact CE-OE1 3.28Å; K22-E62 WeakPolarHBondContact CE-OE1 3.37Å; K22-E62 IonicContact NZ-OE1 2.69Å; K22-E62 PolarHBondContact NZ-OE1 3.43Å; K22-E62 IonicContact NZ-OE2 2.82Å; F23-E62 PolarHBondContact O-N 2.78Å; G60-E62 PolarHBondContact O-N 2.83Å; E62-E86 WeakPolarHBondContact O-CB 3.19Å; E62-Y303 HydrophobicContact CB-CE2 4.4Å; E62-Y303 VanDerWaalsContact OE2-CZ 3.29Å; E62-Y303 PolarHBondContact OE2-OH 2.82Å
63K98.8Very high98.4Very high40 Ų4026.8 Ų26.817%0.17416%0.16CC..EExtended strand (participates in β ladder)trans-141.9146.4177.8-53.8-179.8-177.9-69.30111.4I24 D25 V61 E86 Y88 I307 F311I24-K63 WeakPolarHBondContact CA-O 3.43Å; I24-K63 HydrophobicContact CB-CB 4.41Å; I24-K63 HydrophobicContact CD1-CD 3.98Å; I24-K63 HydrophobicContact CG1-CB 4Å; I24-K63 HydrophobicContact CG1-CD 4.26Å; I24-K63 HydrophobicContact CG1-CG 4.28Å; I24-K63 HydrophobicContact CG2-CB 3.93Å; D25-K63 PolarHBondContact N-O 3.4Å; V61-K63 WeakPolarHBondContact CG1-O 3.39Å; K63-E86 CarbonylContact C-O 3.05Å; K63-E86 VanDerWaalsContact CA-O 3.28Å; K63-E86 WeakPolarHBondContact CA-O 3.35Å; K63-Y88 HydrophobicContact CB-CD2 4.2Å; K63-Y88 HydrophobicContact CB-CE2 4.08Å; K63-Y88 HydrophobicContact CD-CE2 3.93Å; K63-Y88 HydrophobicContact CG-CE2 3.93Å; K63-Y88 PolarHBondContact NZ-OH 2.98Å; K63-I307 HydrophobicContact CD-CD1 4.49Å; K63-F311 HydrophobicContact CB-CZ 4.39Å; K63-F311 HydrophobicContact CD-CD1 3.9Å; K63-F311 HydrophobicContact CD-CD2 4.06Å; K63-F311 HydrophobicContact CD-CE1 3.73Å; K63-F311 HydrophobicContact CD-CE2 3.92Å; K63-F311 HydrophobicContact CD-CG 4.06Å; K63-F311 HydrophobicContact CD-CZ 3.74Å
64F98.9Very high98.4Very high0 Ų026.8 Ų26.80%016%0.16CC..EExtended strand (participates in β ladder)trans-125.3124.5179.9-57.4-104.2000108.4V28 L30 I53 A56 L57 V61 E86 F87 Y88 P277V28-F64 HydrophobicContact CG1-CB 4.01Å; V28-F64 HydrophobicContact CG1-CD1 4.32Å; L30-F64 HydrophobicContact CD1-CB 4.26Å; L30-F64 HydrophobicContact CD1-CD1 4.19Å; L30-F64 HydrophobicContact CD1-CG 4.39Å; I53-F64 HydrophobicContact CD1-CE1 4.31Å; A56-F64 HydrophobicContact CB-CE1 3.7Å; A56-F64 HydrophobicContact CB-CZ 3.68Å; L57-F64 HydrophobicContact CD2-CE2 3.9Å; L57-F64 HydrophobicContact CD2-CZ 4.23Å; V61-F64 HydrophobicContact CB-CE1 4.3Å; V61-F64 HydrophobicContact CB-CE2 4.39Å; V61-F64 HydrophobicContact CB-CZ 3.89Å; V61-F64 HydrophobicContact CG1-CD1 4.04Å; V61-F64 HydrophobicContact CG1-CD2 4.14Å; V61-F64 HydrophobicContact CG1-CE1 3.63Å; V61-F64 HydrophobicContact CG1-CE2 3.72Å; V61-F64 HydrophobicContact CG1-CG 4.29Å; V61-F64 HydrophobicContact CG1-CZ 3.45Å; V61-F64 VanDerWaalsContact CG1-CZ 3.45Å; F64-E86 HydrophobicContact CD2-CB 4.11Å; F64-E86 HydrophobicContact CE2-CB 4.28Å; F64-E86 PolarHBondContact N-O 2.67Å; F64-F87 HydrophobicContact CB-CD1 3.79Å; F64-F87 HydrophobicContact CB-CE1 4.15Å; F64-F87 HydrophobicContact CD1-CE1 4.37Å; F64-F87 AromaticContact CD2-CD1 3.55Å; F64-F87 HydrophobicContact CD2-CD1 3.55Å; F64-F87 AromaticContact CD2-CE1 3.51Å; F64-F87 HydrophobicContact CD2-CE1 3.51Å; F64-F87 HydrophobicContact CE2-CD1 4.35Å; F64-F87 AromaticContact CE2-CE1 3.93Å; F64-F87 HydrophobicContact CE2-CE1 3.93Å; F64-F87 AromaticContact CG-CD1 3.83Å; F64-F87 HydrophobicContact CG-CD1 3.83Å; F64-F87 AromaticContact CG-CE1 3.76Å; F64-F87 HydrophobicContact CG-CE1 3.76Å; F64-Y88 PolarHBondContact O-N 2.87Å; F64-Y88 VanDerWaalsContact O-O 3.12Å; F64-P277 HydrophobicContact CD1-CB 4.17Å; F64-P277 HydrophobicContact CD1-CG 4.36Å; F64-P277 HydrophobicContact CE1-CB 3.71Å; F64-P277 HydrophobicContact CE1-CG 4.09Å
65M98.9Very high98.4Very high0 Ų029 Ų290%016%0.158CC..EExtended strand (participates in β ladder)trans-99.5102.5171.4-71.9170.654.200108.9D25 I26 V28 T67 V125 F164 F310 F311D25-M65 PolarHBondContact O-N 2.92Å; I26-M65 HydrophobicContact CB-CE 4.28Å; I26-M65 HydrophobicContact CB-SD 3.94Å; I26-M65 HydrophobicContact CG2-SD 3.98Å; I26-M65 WeakPolarHBondContact O-CB 3.24Å; V28-M65 WeakPolarHBondContact CG1-O 3.31Å; V28-M65 PolarHBondContact N-O 3.37Å; V28-M65 VanDerWaalsContact N-O 3.11Å; M65-T67 PolarHBondContact O-N 3.25Å; M65-V125 HydrophobicContact CE-CG2 4.15Å; M65-V125 HydrophobicContact CG-CG2 4.07Å; M65-V125 HydrophobicContact SD-CG2 4.32Å; M65-F164 HydrophobicContact CE-CD2 4.37Å; M65-F310 HydrophobicContact CE-CD1 3.84Å; M65-F310 HydrophobicContact CE-CD2 3.94Å; M65-F310 HydrophobicContact CE-CE1 3.87Å; M65-F310 HydrophobicContact CE-CE2 3.93Å; M65-F310 HydrophobicContact CE-CG 3.9Å; M65-F310 HydrophobicContact CE-CZ 3.92Å; M65-F310 HydrophobicContact SD-CB 4.29Å; M65-F310 HydrophobicContact SD-CD1 4.48Å; M65-F310 HydrophobicContact SD-CD2 3.85Å; M65-F310 HydrophobicContact SD-CE2 4.29Å; M65-F310 HydrophobicContact SD-CG 3.96Å; M65-F311 HydrophobicContact CG-CZ 4.12Å; M65-F311 HydrophobicContact SD-CE2 4.19Å; M65-F311 HydrophobicContact SD-CZ 4.11Å
66I98.9Very high98.4Very high0 Ų030.8 Ų30.80%017%0.168CC..EExtended strand (participates in β ladder)trans-77117.5-179-53.8171.7000109V28 L30 T31 G68 A77 L80 A81 F87 Y88 C89 T90V28-I66 VanDerWaalsContact O-CA 3.31Å; V28-I66 WeakPolarHBondContact O-CA 3.36Å; L30-I66 HydrophobicContact CB-CD1 4.25Å; L30-I66 HydrophobicContact CB-CG1 4.11Å; L30-I66 HydrophobicContact CB-CG2 4.27Å; L30-I66 HydrophobicContact CD1-CD1 4.1Å; L30-I66 HydrophobicContact CD1-CG1 3.97Å; L30-I66 HydrophobicContact CG-CG1 4.29Å; T31-I66 HydrophobicContact CG2-CG2 4.04Å; I66-G68 PolarHBondContact O-N 3.18Å; I66-A77 HydrophobicContact CB-CB 4.36Å; I66-A77 HydrophobicContact CG2-CB 3.81Å; I66-L80 HydrophobicContact CD1-CB 4.22Å; I66-L80 HydrophobicContact CD1-CD2 3.94Å; I66-L80 HydrophobicContact CD1-CG 3.84Å; I66-A81 HydrophobicContact CD1-CB 4.33Å; I66-F87 HydrophobicContact CD1-CB 4.01Å; I66-F87 HydrophobicContact CD1-CD2 3.94Å; I66-F87 HydrophobicContact CD1-CG 4.07Å; I66-Y88 WeakPolarHBondContact CB-O 3.38Å; I66-Y88 WeakPolarHBondContact CG1-O 3.16Å; I66-Y88 PolarHBondContact N-O 3.43Å; I66-C89 HydrophobicContact CB-CB 4.14Å; I66-C89 WeakPolarHBondContact O-CA 3.35Å; I66-C89 VanDerWaalsContact O-CB 3.28Å; I66-C89 WeakPolarHBondContact O-CB 3.33Å; I66-T90 PolarHBondContact O-N 3.26Å; I66-T90 VanDerWaalsContact O-N 3.09Å
67T98.8Very high98.4Very high7 Ų730.8 Ų30.84%0.04317%0.168CC..PPolyproline II helixtrans-74.8123.1-174.8-44.20000111.4V28 M65 E129 F164V28-T67 PolarHBondContact O-N 2.95Å; M65-T67 PolarHBondContact O-N 3.25Å; T67-E129 HydrophobicContact CG2-CB 3.75Å; T67-E129 HydrophobicContact CG2-CG 4.46Å; T67-E129 WeakPolarHBondContact CG2-OE2 3.21Å; T67-F164 HydrophobicContact CG2-CD1 4.35Å; T67-F164 HydrophobicContact CG2-CE1 3.89Å
68G98.6Very high98.5Very high0 Ų028.1 Ų28.10%015%0.154CC..PPolyproline II helixtrans-97.5124.1166.900000110.6I66 T90 G128 E129I66-G68 PolarHBondContact O-N 3.18Å; G68-T90 PolarHBondContact N-OG1 3.32Å; G68-G128 CarbonylContact O-C 3.51Å; G68-E129 PolarHBondContact O-N 2.64Å
69G97.7Very high98.5Very high13 Ų1331.4 Ų31.413%0.13415%0.154CC..  trans-105.2-10.3-176.400000115.3H94G69-H94 WeakPolarHBondContact O-CB 3.4Å; G69-H94 PolarHBondContact O-N 3.3Å
70N98.7Very high98.6Very high7 Ų730.6 Ų30.64%0.03715%0.15CC..SBendtrans-158.1-178.3172.172.414.6000109.3E72 D73 S74 G92 R97 E100 Y109N70-E72 VanDerWaalsContact C-N 3.33Å; N70-E72 PolarHBondContact O-N 2.87Å; N70-E72 PolarHBondContact OD1-N 3.09Å; N70-D73 VanDerWaalsContact OD1-CB 3.29Å; N70-D73 WeakPolarHBondContact OD1-CB 3.2Å; N70-D73 PolarHBondContact OD1-N 3.1Å; N70-S74 WeakPolarHBondContact O-CB 3.28Å; N70-S74 PolarHBondContact O-N 3.29Å; N70-S74 PolarHBondContact O-OG 3.39Å; N70-G92 CarbonylContact C-O 3.6Å; N70-G92 VanDerWaalsContact CA-O 3.3Å; N70-G92 WeakPolarHBondContact CA-O 3.29Å; N70-G92 PolarHBondContact N-O 3.49Å; N70-R97 HydrophobicContact CB-CB 4.07Å; N70-R97 HydrophobicContact CB-CG 4.19Å; N70-R97 PolarHBondContact ND2-NH1 2.81Å; N70-R97 VanDerWaalsContact ND2-NH1 3.11Å; N70-E100 WeakPolarHBondContact CB-OE2 3.35Å; N70-E100 PolarHBondContact ND2-OE1 3.38Å; N70-E100 PolarHBondContact ND2-OE2 3.09Å; N70-Y109 WeakPolarHBondContact CB-OH 3.39Å
71L98.7Very high98.7Very high26 Ų2630.1 Ų30.114%0.13615%0.145CC..Hα-helixtrans-60.4-39-178.4179.158.7000113.4K75 Y109 L113 L116L71-K75 WeakPolarHBondContact O-CG 3.37Å; L71-K75 PolarHBondContact O-N 3.08Å; L71-Y109 HydrophobicContact CB-CD2 4.4Å; L71-Y109 HydrophobicContact CB-CE1 4.45Å; L71-Y109 HydrophobicContact CB-CE2 3.72Å; L71-Y109 HydrophobicContact CD2-CD2 4.27Å; L71-Y109 HydrophobicContact CD2-CE2 4.36Å; L71-Y109 PolarHBondContact N-OH 3.45Å; L71-Y109 VanDerWaalsContact N-OH 3.09Å; L71-L113 HydrophobicContact CB-CD2 4.04Å; L71-L113 HydrophobicContact CD1-CD2 3.94Å; L71-L113 HydrophobicContact CD1-CG 4.31Å; L71-L116 HydrophobicContact CD1-CD2 4.35Å
72E98.4Very high98.6Very high96 Ų9635.1 Ų35.145%0.44917%0.168SC..Hα-helixtrans-76.4-46-177.9-167.161.2-164.900111.9N70 S74 K75 E76N70-E72 VanDerWaalsContact C-N 3.33Å; N70-E72 PolarHBondContact O-N 2.87Å; N70-E72 PolarHBondContact OD1-N 3.09Å; E72-S74 PolarHBondContact O-N 3.25Å; E72-K75 WeakPolarHBondContact O-CB 3.45Å; E72-K75 PolarHBondContact O-N 3.24Å; E72-K75 IonicContact OE2-NZ 2.64Å; E72-K75 PolarHBondContact OE2-NZ 2.94Å; E72-E76 PolarHBondContact O-N 2.9Å; E72-E76 VanDerWaalsContact O-N 3.07Å
73D98.2Very high98.6Very high60 Ų6036.3 Ų36.332%0.32118%0.18SC..Hα-helixtrans-58.3-38174-65.5-9.6000110.4N70 E76 A77N70-D73 VanDerWaalsContact OD1-CB 3.29Å; N70-D73 WeakPolarHBondContact OD1-CB 3.2Å; N70-D73 PolarHBondContact OD1-N 3.1Å; D73-E76 PolarHBondContact O-N 2.92Å; D73-A77 WeakPolarHBondContact O-CB 3.42Å; D73-A77 PolarHBondContact O-N 2.84Å
74S98.8Very high98.6Very high0 Ų037.9 Ų37.90%019%0.185CC..Hα-helixtrans-65-38.4175.2-62.30000112.4N70 E72 A77 V78N70-S74 WeakPolarHBondContact O-CB 3.28Å; N70-S74 PolarHBondContact O-N 3.29Å; N70-S74 PolarHBondContact O-OG 3.39Å; E72-S74 PolarHBondContact O-N 3.25Å; S74-A77 PolarHBondContact O-N 3.41Å; S74-V78 WeakPolarHBondContact O-CB 3.46Å; S74-V78 VanDerWaalsContact O-CG2 3.32Å; S74-V78 WeakPolarHBondContact O-CG2 3.48Å; S74-V78 PolarHBondContact O-N 3.07Å
75K98.8Very high98.6Very high87 Ų8740.4 Ų40.438%0.37821%0.211SC..Hα-helixtrans-65.1-43174.8-70172-160.7157.50111.3L71 E72 A77 V78 K79 L116L71-K75 WeakPolarHBondContact O-CG 3.37Å; L71-K75 PolarHBondContact O-N 3.08Å; E72-K75 WeakPolarHBondContact O-CB 3.45Å; E72-K75 PolarHBondContact O-N 3.24Å; E72-K75 IonicContact OE2-NZ 2.64Å; E72-K75 PolarHBondContact OE2-NZ 2.94Å; K75-A77 VanDerWaalsContact C-N 3.34Å; K75-V78 PolarHBondContact O-N 3.32Å; K75-K79 WeakPolarHBondContact O-CB 3.4Å; K75-K79 PolarHBondContact O-N 3.3Å; K75-L116 HydrophobicContact CG-CD1 4.12Å; K75-L116 HydrophobicContact CG-CD2 3.98Å
76E98.7Very high98.5Very high81 Ų8143.6 Ų43.638%0.37923%0.226SC..Hα-helixtrans-67-37.2176.8-69.7-57.3130.600111.6T31 E72 D73 K79 L80T31-E76 HydrophobicContact CG2-CB 4.28Å; E72-E76 PolarHBondContact O-N 2.9Å; E72-E76 VanDerWaalsContact O-N 3.07Å; D73-E76 PolarHBondContact O-N 2.92Å; E76-K79 PolarHBondContact O-N 3.44Å; E76-K79 IonicContact OE1-NZ 2.89Å; E76-K79 IonicContact OE2-NZ 2.88Å; E76-K79 PolarHBondContact OE2-NZ 3.44Å; E76-L80 WeakPolarHBondContact O-CB 3.35Å; E76-L80 PolarHBondContact O-N 3.32Å
77A98.8Very high98.5Very high0 Ų043.6 Ų43.60%023%0.226CC..Hα-helixtrans-63.1-44.5173.600000111.9T31 I66 D73 S74 K75 L80 A81 C89T31-A77 HydrophobicContact CG2-CB 4.32Å; I66-A77 HydrophobicContact CB-CB 4.36Å; I66-A77 HydrophobicContact CG2-CB 3.81Å; D73-A77 WeakPolarHBondContact O-CB 3.42Å; D73-A77 PolarHBondContact O-N 2.84Å; S74-A77 PolarHBondContact O-N 3.41Å; K75-A77 VanDerWaalsContact C-N 3.34Å; A77-L80 PolarHBondContact O-N 3.37Å; A77-A81 VanDerWaalsContact O-CB 3.24Å; A77-A81 WeakPolarHBondContact O-CB 3.41Å; A77-A81 PolarHBondContact O-N 3.07Å; A77-C89 HydrophobicContact CB-CB 3.88Å
78V98.8Very high98.5Very high4 Ų444.7 Ų44.72%0.02423%0.229CC..Hα-helixtrans-59.4-51.5174.3164.70000110.8S74 K75 L80 A81 E82 C89 V91 L116 H120 V124S74-V78 WeakPolarHBondContact O-CB 3.46Å; S74-V78 VanDerWaalsContact O-CG2 3.32Å; S74-V78 WeakPolarHBondContact O-CG2 3.48Å; S74-V78 PolarHBondContact O-N 3.07Å; K75-V78 PolarHBondContact O-N 3.32Å; V78-L80 VanDerWaalsContact C-N 3.28Å; V78-L80 PolarHBondContact O-N 2.66Å; V78-A81 PolarHBondContact O-N 2.87Å; V78-E82 WeakPolarHBondContact O-CG 3.49Å; V78-E82 PolarHBondContact O-N 3.33Å; V78-C89 VanDerWaalsContact CG2-SG 3.54Å; V78-V91 HydrophobicContact CG2-CG2 4.45Å; V78-L116 HydrophobicContact CG2-CD1 4.2Å; V78-L116 HydrophobicContact CG2-CD2 4.39Å; V78-L116 HydrophobicContact CG2-CG 4.21Å; V78-H120 HydrophobicContact CG1-CB 4.01Å; V78-H120 VanDerWaalsContact CG1-CG 3.46Å; V78-H120 WeakPolarHBondContact CG1-ND1 3.34Å; V78-H120 HydrophobicContact CG2-CB 4.49Å; V78-V124 HydrophobicContact CG2-CG2 3.8Å
79K98.8Very high98.5Very high122 Ų12244.7 Ų44.753%0.5323%0.229SC..Hα-helixtrans-58-41.7179.5178.7-175.8171.5-165.30111.8K75 E76 T83K75-K79 WeakPolarHBondContact O-CB 3.4Å; K75-K79 PolarHBondContact O-N 3.3Å; E76-K79 PolarHBondContact O-N 3.44Å; E76-K79 IonicContact OE1-NZ 2.89Å; E76-K79 IonicContact OE2-NZ 2.88Å; E76-K79 PolarHBondContact OE2-NZ 3.44Å; K79-T83 WeakPolarHBondContact O-CG2 3.44Å
80L98.8Very high98.6Very high22 Ų2244 Ų4412%0.11522%0.223CC..Hα-helixtrans-67.8-42.5175-176.556.3000111.3L30 T31 F49 I66 E76 A77 V78 E82 T83 F87L30-L80 HydrophobicContact CB-CD2 3.77Å; T31-L80 HydrophobicContact CG2-CD2 4.11Å; F49-L80 HydrophobicContact CE1-CD1 4.35Å; F49-L80 HydrophobicContact CE2-CD2 4.38Å; F49-L80 HydrophobicContact CZ-CD1 3.98Å; F49-L80 HydrophobicContact CZ-CD2 4.13Å; I66-L80 HydrophobicContact CD1-CB 4.22Å; I66-L80 HydrophobicContact CD1-CD2 3.94Å; I66-L80 HydrophobicContact CD1-CG 3.84Å; E76-L80 WeakPolarHBondContact O-CB 3.35Å; E76-L80 PolarHBondContact O-N 3.32Å; A77-L80 PolarHBondContact O-N 3.37Å; V78-L80 VanDerWaalsContact C-N 3.28Å; V78-L80 PolarHBondContact O-N 2.66Å; L80-E82 VanDerWaalsContact C-N 3.26Å; L80-E82 PolarHBondContact O-N 3.04Å; L80-T83 WeakPolarHBondContact O-CB 3.33Å; L80-T83 PolarHBondContact O-N 2.75Å; L80-T83 VanDerWaalsContact O-N 3.07Å; L80-T83 PolarHBondContact O-OG1 3.02Å; L80-F87 HydrophobicContact CD1-CE2 4.37Å; L80-F87 HydrophobicContact CG-CD2 4.37Å; L80-F87 HydrophobicContact CG-CE2 4.41Å
81A98.7Very high98.6Very high0 Ų043.7 Ų43.70%022%0.221CC..Hα-helixtrans-62.1-32.4179.700000113.1I66 A77 V78 T83 F87 C89 K123I66-A81 HydrophobicContact CD1-CB 4.33Å; A77-A81 VanDerWaalsContact O-CB 3.24Å; A77-A81 WeakPolarHBondContact O-CB 3.41Å; A77-A81 PolarHBondContact O-N 3.07Å; V78-A81 PolarHBondContact O-N 2.87Å; A81-T83 PolarHBondContact O-N 3.46Å; A81-F87 HydrophobicContact CB-CB 4.14Å; A81-C89 HydrophobicContact CB-CB 4.24Å; A81-K123 HydrophobicContact CB-CB 4.32Å; A81-K123 HydrophobicContact CB-CD 4.34Å; A81-K123 WeakPolarHBondContact O-CE 3.45Å; A81-K123 PolarHBondContact O-NZ 3.45Å
82E98.4Very high98.6Very high107 Ų10742.5 Ų42.550%0.521%0.214SC..THydrogen-bonded Turntrans-68.4-19.4175.8-73.2-179.6161.800113.8V78 L80 R84 H120 K123V78-E82 WeakPolarHBondContact O-CG 3.49Å; V78-E82 PolarHBondContact O-N 3.33Å; L80-E82 VanDerWaalsContact C-N 3.26Å; L80-E82 PolarHBondContact O-N 3.04Å; E82-R84 VanDerWaalsContact C-N 3.27Å; E82-R84 PolarHBondContact O-N 3.36Å; E82-H120 IonicContact OE1-CE1 3.26Å; E82-H120 PolarHBondContact OE1-CE1 2.69Å; E82-H120 VanDerWaalsContact OE1-CE1 3.26Å; E82-H120 IonicContact OE1-CG 3.85Å; E82-H120 IonicContact OE1-ND1 2.74Å; E82-H120 PolarHBondContact OE1-ND1 3.32Å; E82-K123 HydrophobicContact CG-CG 4.18Å
83T98.4Very high98.6Very high90 Ų9037.9 Ų37.955%0.55219%0.193SC*.THydrogen-bonded Turntrans-73.1-17.2-178.567.70000114K79 L80 A81K79-T83 WeakPolarHBondContact O-CG2 3.44Å; L80-T83 WeakPolarHBondContact O-CB 3.33Å; L80-T83 PolarHBondContact O-N 2.75Å; L80-T83 VanDerWaalsContact O-N 3.07Å; L80-T83 PolarHBondContact O-OG1 3.02Å; A81-T83 PolarHBondContact O-N 3.46Å
84R98Very high98.7Very high74 Ų7436 Ų3628%0.27918%0.182SC..  trans-145.8152.1-173.3-61.5-171.475.2113.3-0.5112.6D50 E82 E86 F87 K123D50-R84 IonicContact OD1-NH1 2.92Å; E82-R84 VanDerWaalsContact C-N 3.27Å; E82-R84 PolarHBondContact O-N 3.36Å; R84-E86 IonicContact NE-OE2 2.74Å; R84-F87 HydrophobicContact CB-CB 4.41Å; R84-F87 HydrophobicContact CB-CD1 4.35Å; R84-F87 HydrophobicContact CB-CD2 3.84Å; R84-F87 HydrophobicContact CB-CE2 4.22Å; R84-F87 HydrophobicContact CB-CG 3.93Å; R84-F87 HydrophobicContact CG-CD2 4.04Å; R84-F87 HydrophobicContact CG-CE2 3.97Å; R84-F87 HydrophobicContact CG-CZ 4.41Å; R84-K123 PolarHBondContact O-NZ 3.2Å
85G97.9Very high98.7Very high53 Ų5336 Ų3655%0.54618%0.182SC..THydrogen-bonded Turntrans-71.5-30.5-179.800000113.8F87 Y88G85-F87 VanDerWaalsContact C-N 3.33Å; G85-Y88 PolarHBondContact O-OH 3.09Å
86E98.4Very high98.7Very high67 Ų6733.1 Ų33.131%0.31317%0.172SC..THydrogen-bonded Turntrans-81.9-12.9-175.5-53.482.2-177.700112.9L57 E62 K63 F64 R84 Y88L57-E86 HydrophobicContact CD2-CG 4.39Å; E62-E86 WeakPolarHBondContact O-CB 3.19Å; K63-E86 CarbonylContact C-O 3.05Å; K63-E86 VanDerWaalsContact CA-O 3.28Å; K63-E86 WeakPolarHBondContact CA-O 3.35Å; F64-E86 HydrophobicContact CD2-CB 4.11Å; F64-E86 HydrophobicContact CE2-CB 4.28Å; F64-E86 PolarHBondContact N-O 2.67Å; R84-E86 IonicContact NE-OE2 2.74Å; E86-Y88 WeakPolarHBondContact O-CD2 3.24Å; E86-Y88 WeakPolarHBondContact O-CE2 3.35Å
87F98.8Very high98.7Very high0 Ų034.2 Ų34.20%017%0.173CC..EExtended strand (participates in β ladder)trans-94.7135.5-175.8-65.4-5.6000111.8L30 F49 I53 F64 I66 L80 A81 R84 G85 K123L30-F87 HydrophobicContact CD1-CD1 4.36Å; L30-F87 HydrophobicContact CD1-CE1 3.84Å; L30-F87 HydrophobicContact CD1-CE2 4.06Å; L30-F87 HydrophobicContact CD1-CZ 3.65Å; F49-F87 HydrophobicContact CE1-CE2 4.16Å; F49-F87 HydrophobicContact CE1-CZ 4.3Å; F49-F87 HydrophobicContact CZ-CE2 4.02Å; F49-F87 HydrophobicContact CZ-CZ 4.19Å; I53-F87 HydrophobicContact CD1-CE1 4.01Å; I53-F87 HydrophobicContact CD1-CZ 3.57Å; I53-F87 HydrophobicContact CG1-CZ 3.88Å; I53-F87 HydrophobicContact CG2-CE1 4.33Å; I53-F87 HydrophobicContact CG2-CZ 4.22Å; F64-F87 HydrophobicContact CB-CD1 3.79Å; F64-F87 HydrophobicContact CB-CE1 4.15Å; F64-F87 HydrophobicContact CD1-CE1 4.37Å; F64-F87 AromaticContact CD2-CD1 3.55Å; F64-F87 HydrophobicContact CD2-CD1 3.55Å; F64-F87 AromaticContact CD2-CE1 3.51Å; F64-F87 HydrophobicContact CD2-CE1 3.51Å; F64-F87 HydrophobicContact CE2-CD1 4.35Å; F64-F87 AromaticContact CE2-CE1 3.93Å; F64-F87 HydrophobicContact CE2-CE1 3.93Å; F64-F87 AromaticContact CG-CD1 3.83Å; F64-F87 HydrophobicContact CG-CD1 3.83Å; F64-F87 AromaticContact CG-CE1 3.76Å; F64-F87 HydrophobicContact CG-CE1 3.76Å; I66-F87 HydrophobicContact CD1-CB 4.01Å; I66-F87 HydrophobicContact CD1-CD2 3.94Å; I66-F87 HydrophobicContact CD1-CG 4.07Å; L80-F87 HydrophobicContact CD1-CE2 4.37Å; L80-F87 HydrophobicContact CG-CD2 4.37Å; L80-F87 HydrophobicContact CG-CE2 4.41Å; A81-F87 HydrophobicContact CB-CB 4.14Å; R84-F87 HydrophobicContact CB-CB 4.41Å; R84-F87 HydrophobicContact CB-CD1 4.35Å; R84-F87 HydrophobicContact CB-CD2 3.84Å; R84-F87 HydrophobicContact CB-CE2 4.22Å; R84-F87 HydrophobicContact CB-CG 3.93Å; R84-F87 HydrophobicContact CG-CD2 4.04Å; R84-F87 HydrophobicContact CG-CE2 3.97Å; R84-F87 HydrophobicContact CG-CZ 4.41Å; G85-F87 VanDerWaalsContact C-N 3.33Å; F87-K123 VanDerWaalsContact O-CD 3.32Å; F87-K123 WeakPolarHBondContact O-CD 3.4Å; F87-K123 PolarHBondContact O-NZ 2.82Å
88Y98.9Very high98.6Very high29 Ų2934.2 Ų34.211%0.11417%0.173CC..EExtended strand (participates in β ladder)trans-134171.1174.5-57.7-94000107.3K63 F64 I66 G85 E86 G122 K123 V125 F311K63-Y88 HydrophobicContact CB-CD2 4.2Å; K63-Y88 HydrophobicContact CB-CE2 4.08Å; K63-Y88 HydrophobicContact CD-CE2 3.93Å; K63-Y88 HydrophobicContact CG-CE2 3.93Å; K63-Y88 PolarHBondContact NZ-OH 2.98Å; F64-Y88 PolarHBondContact O-N 2.87Å; F64-Y88 VanDerWaalsContact O-O 3.12Å; I66-Y88 WeakPolarHBondContact CB-O 3.38Å; I66-Y88 WeakPolarHBondContact CG1-O 3.16Å; I66-Y88 PolarHBondContact N-O 3.43Å; G85-Y88 PolarHBondContact O-OH 3.09Å; E86-Y88 WeakPolarHBondContact O-CD2 3.24Å; E86-Y88 WeakPolarHBondContact O-CE2 3.35Å; Y88-G122 WeakPolarHBondContact CD1-O 3.34Å; Y88-G122 WeakPolarHBondContact CE1-O 3.45Å; Y88-K123 CarbonylContact C-O 2.95Å; Y88-K123 WeakPolarHBondContact CA-O 3.28Å; Y88-K123 WeakPolarHBondContact CB-O 3.24Å; Y88-V125 HydrophobicContact CD1-CG1 3.52Å; Y88-V125 HydrophobicContact CE1-CG1 4.39Å; Y88-V125 HydrophobicContact CG-CG1 4.06Å; Y88-F311 HydrophobicContact CD1-CD1 4.47Å; Y88-F311 AromaticContact CD1-CE1 3.73Å; Y88-F311 HydrophobicContact CD1-CE1 3.73Å; Y88-F311 AromaticContact CD2-CE1 3.69Å; Y88-F311 HydrophobicContact CD2-CE1 3.69Å; Y88-F311 HydrophobicContact CD2-CZ 4.12Å; Y88-F311 HydrophobicContact CE1-CD1 4.23Å; Y88-F311 AromaticContact CE1-CE1 3.85Å; Y88-F311 HydrophobicContact CE1-CE1 3.85Å; Y88-F311 AromaticContact CE2-CE1 3.87Å; Y88-F311 HydrophobicContact CE2-CE1 3.87Å; Y88-F311 AromaticContact CG-CE1 3.64Å; Y88-F311 HydrophobicContact CG-CE1 3.64Å; Y88-F311 HydrophobicContact CG-CZ 4.24Å; Y88-F311 AromaticContact CZ-CE1 3.94Å
89C98.9Very high98.6Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-149.5169.9-179.563.50000112.6I66 A77 V78 A81 K123 V124 V125I66-C89 HydrophobicContact CB-CB 4.14Å; I66-C89 WeakPolarHBondContact O-CA 3.35Å; I66-C89 VanDerWaalsContact O-CB 3.28Å; I66-C89 WeakPolarHBondContact O-CB 3.33Å; A77-C89 HydrophobicContact CB-CB 3.88Å; V78-C89 VanDerWaalsContact CG2-SG 3.54Å; A81-C89 HydrophobicContact CB-CB 4.24Å; C89-K123 PolarHBondContact N-O 3.13Å; C89-V124 WeakPolarHBondContact O-CA 3.2Å; C89-V125 PolarHBondContact O-N 3.45Å
90T98.9Very high98.6Very high0 Ų030.6 Ų30.60%016%0.159CC..EExtended strand (participates in β ladder)trans-105.9157.1172.175.20000109.9I66 G68 A126 G128 F164I66-T90 PolarHBondContact O-N 3.26Å; I66-T90 VanDerWaalsContact O-N 3.09Å; G68-T90 PolarHBondContact N-OG1 3.32Å; T90-A126 WeakPolarHBondContact CA-O 3.16Å; T90-A126 HydrophobicContact CG2-CB 4.07Å; T90-G128 CarbonylContact C-O 3.45Å; T90-G128 WeakPolarHBondContact CB-O 3.3Å; T90-G128 PolarHBondContact OG1-O 3.18Å; T90-F164 HydrophobicContact CG2-CB 4.19Å; T90-F164 HydrophobicContact CG2-CD1 4.38Å; T90-F164 HydrophobicContact CG2-CG 4.21Å
91V98.9Very high98.6Very high0 Ų029.5 Ų29.50%015%0.154CC..EExtended strand (participates in β ladder)trans-129.6124.5170.2174.20000109.2V78 L113 L116 A117 V124 A126 I127 G128V78-V91 HydrophobicContact CG2-CG2 4.45Å; V91-L113 HydrophobicContact CG1-CB 4.29Å; V91-L113 HydrophobicContact CG1-CD2 3.86Å; V91-L116 HydrophobicContact CG1-CD2 4.17Å; V91-L116 HydrophobicContact CG2-CD2 4Å; V91-L116 HydrophobicContact CG2-CG 4.2Å; V91-A117 HydrophobicContact CB-CB 4.3Å; V91-A117 HydrophobicContact CG1-CB 4.33Å; V91-V124 HydrophobicContact CB-CG1 4.04Å; V91-V124 HydrophobicContact CG2-CB 4.29Å; V91-V124 HydrophobicContact CG2-CG1 3.59Å; V91-V124 HydrophobicContact CG2-CG2 3.64Å; V91-A126 PolarHBondContact N-O 3.38Å; V91-A126 VanDerWaalsContact N-O 3.09Å; V91-I127 CarbonylContact O-C 3.06Å; V91-I127 WeakPolarHBondContact O-CA 3.02Å; V91-G128 CarbonylContact C-O 3.52Å; V91-G128 WeakPolarHBondContact CA-O 3.3Å; V91-G128 PolarHBondContact N-O 3.02Å; V91-G128 VanDerWaalsContact N-O 3.1Å; V91-G128 PolarHBondContact O-N 3.07Å
92G98.7Very high98.5Very high0 Ų034.6 Ų34.60%018%0.178CC..  trans179.8-171.5-176.800000113.1N70 G128N70-G92 CarbonylContact C-O 3.6Å; N70-G92 VanDerWaalsContact CA-O 3.3Å; N70-G92 WeakPolarHBondContact CA-O 3.29Å; N70-G92 PolarHBondContact N-O 3.49Å; G92-G128 PolarHBondContact N-O 3.49Å; G92-G128 VanDerWaalsContact N-O 3.08Å
93C98.9Very high98.5Very high0 Ų036.4 Ų36.40%019%0.186CC..  trans-132.4113.5177.6-166.70000109.7R97 F101 Y109 L113 E129 Q152C93-R97 VanDerWaalsContact SG-C 3.59Å; C93-R97 PolarHBondContact SG-O 3.14Å; C93-F101 HydrophobicContact CB-CE2 3.61Å; C93-F101 HydrophobicContact CB-CZ 4.26Å; C93-Y109 HydrophobicContact CB-CE1 4.15Å; C93-L113 HydrophobicContact CB-CD1 4.35Å; C93-E129 CarbonylContact C-O 3.54Å; C93-Q152 PolarHBondContact O-NE2 3.38Å; C93-Q152 PolarHBondContact O-OE1 2.91Å
94H98.9Very high98.4Very high21 Ų2135.9 Ų35.910%0.09718%0.18CC..  trans-62.8147.6-179.4-172.5-91.6000110.4G69 T96 R97 C98 E129 H166G69-H94 WeakPolarHBondContact O-CB 3.4Å; G69-H94 PolarHBondContact O-N 3.3Å; H94-T96 PolarHBondContact ND1-N 2.71Å; H94-T96 VanDerWaalsContact ND1-N 3.19Å; H94-T96 PolarHBondContact ND1-OG1 2.55Å; H94-T96 PolarHBondContact O-N 3.2Å; H94-T96 VanDerWaalsContact O-N 3.07Å; H94-R97 HydrophobicContact CB-CG 4.32Å; H94-R97 WeakPolarHBondContact O-CA 3.48Å; H94-R97 PolarHBondContact O-N 2.93Å; H94-C98 PolarHBondContact O-N 3.3Å; H94-C98 PolarHBondContact O-SG 3.3Å; H94-E129 VanDerWaalsContact CA-O 3.25Å; H94-E129 WeakPolarHBondContact CA-O 3.37Å; H94-E129 IonicContact CD2-OE1 3.81Å; H94-E129 PolarHBondContact CD2-OE1 3.13Å; H94-E129 VanDerWaalsContact CD2-OE1 3.3Å; H94-E129 IonicContact CD2-OE2 2.65Å; H94-E129 PolarHBondContact CD2-OE2 3.02Å; H94-E129 PolarHBondContact N-O 3.43Å; H94-E129 IonicContact NE2-OE1 2.55Å; H94-E129 PolarHBondContact NE2-OE1 3.47Å; H94-H166 AromaticContact NE2-CE1 3.5Å; H94-H166 PolarHBondContact NE2-CE1 2.73Å; H94-H166 AromaticContact NE2-CG 3.78Å; H94-H166 AromaticContact NE2-ND1 3.29Å; H94-H166 PolarHBondContact NE2-ND1 3.43Å
95P98.8Very high98.3Very high0 Ų034 Ų340%018%0.184CC..G310 helixtrans-47-42.6177.79.5-25.9000113.7R97 C98 G131 D133 C140 Q145 H166P95-R97 PolarHBondContact O-N 3.44Å; P95-C98 PolarHBondContact O-N 3.18Å; P95-G131 WeakPolarHBondContact CB-O 3.39Å; P95-D133 HydrophobicContact CB-CB 4.05Å; P95-D133 HydrophobicContact CG-CB 3.77Å; P95-C140 WeakPolarHBondContact O-CB 3.42Å; P95-C140 PolarHBondContact O-SG 3.49Å; P95-C140 VanDerWaalsContact O-SG 3.37Å; P95-Q145 HydrophobicContact CB-CG 4.09Å; P95-Q145 WeakPolarHBondContact O-CG 3.38Å; P95-H166 HydrophobicContact CG-CB 4.45Å
96T98.6Very high98.3Very high26 Ų2634.4 Ų34.416%0.1617%0.171CC..G310 helixtrans-70.8-10.5-179.665.40000114.6H94 R136 F139H94-T96 PolarHBondContact ND1-N 2.71Å; H94-T96 VanDerWaalsContact ND1-N 3.19Å; H94-T96 PolarHBondContact ND1-OG1 2.55Å; H94-T96 PolarHBondContact O-N 3.2Å; H94-T96 VanDerWaalsContact O-N 3.07Å; T96-R136 HydrophobicContact CG2-CB 3.49Å; T96-R136 VanDerWaalsContact CG2-CB 3.49Å; T96-R136 HydrophobicContact CG2-CG 4.02Å; T96-F139 HydrophobicContact CG2-CB 4.22Å
97R98.6Very high98.2Very high104 Ų10435.9 Ų35.939%0.39219%0.189SC..G310 helixtrans-112.5-1.7-179.3-59-56.9-165.8109.410.5113.1N70 C93 H94 P95 S99 E100N70-R97 HydrophobicContact CB-CB 4.07Å; N70-R97 HydrophobicContact CB-CG 4.19Å; N70-R97 PolarHBondContact ND2-NH1 2.81Å; N70-R97 VanDerWaalsContact ND2-NH1 3.11Å; C93-R97 VanDerWaalsContact SG-C 3.59Å; C93-R97 PolarHBondContact SG-O 3.14Å; H94-R97 HydrophobicContact CB-CG 4.32Å; H94-R97 WeakPolarHBondContact O-CA 3.48Å; H94-R97 PolarHBondContact O-N 2.93Å; P95-R97 PolarHBondContact O-N 3.44Å; R97-S99 PolarHBondContact O-N 3Å; R97-E100 IonicContact NH1-OE1 3.64Å; R97-E100 PolarHBondContact NH1-OE1 3.48Å; R97-E100 WeakPolarHBondContact O-CB 3.33Å; R97-E100 VanDerWaalsContact O-CG 3.28Å; R97-E100 WeakPolarHBondContact O-CG 3.04Å; R97-E100 PolarHBondContact O-N 3.36Å
98C98.4Very high98.2Very high0 Ų043.1 Ų43.10%022%0.223CC..THydrogen-bonded Turntrans-57.5-24.8-177.1-77.70000114.3H94 P95 E100 F101 T144 Y148H94-C98 PolarHBondContact O-N 3.3Å; H94-C98 PolarHBondContact O-SG 3.3Å; P95-C98 PolarHBondContact O-N 3.18Å; C98-E100 PolarHBondContact O-N 3.04Å; C98-E100 VanDerWaalsContact O-N 3.14Å; C98-F101 WeakPolarHBondContact O-CD2 3.41Å; C98-F101 PolarHBondContact O-N 2.89Å; C98-T144 HydrophobicContact CB-CG2 4.21Å; C98-Y148 HydrophobicContact CB-CD2 4.03Å; C98-Y148 HydrophobicContact CB-CG 4.4Å; C98-Y148 VanDerWaalsContact O-CD2 3.29Å; C98-Y148 WeakPolarHBondContact O-CD2 3.28Å
99S97.9Very high98.2Very high21 Ų2142 Ų4215%0.14722%0.218CC..THydrogen-bonded Turntrans-58-22.5171-56.70000113.5R97 F101 E102 Q103 C140R97-S99 PolarHBondContact O-N 3Å; S99-F101 PolarHBondContact O-N 2.91Å; S99-E102 PolarHBondContact O-N 2.94Å; S99-E102 VanDerWaalsContact O-N 3.13Å; S99-Q103 WeakPolarHBondContact O-CG 3.21Å; S99-Q103 PolarHBondContact O-N 2.97Å; S99-Q103 VanDerWaalsContact O-N 3.14Å; S99-C140 PolarHBondContact OG-SG 2.84Å
100E98.5Very high98.2Very high28 Ų2843.2 Ų43.213%0.13122%0.224CC..Hα-helixtrans-63.8-26.6177.5-68.2-178.6-155.500112.8N70 R97 C98 E102 Q103 N104 Y109N70-E100 WeakPolarHBondContact CB-OE2 3.35Å; N70-E100 PolarHBondContact ND2-OE1 3.38Å; N70-E100 PolarHBondContact ND2-OE2 3.09Å; R97-E100 IonicContact NH1-OE1 3.64Å; R97-E100 PolarHBondContact NH1-OE1 3.48Å; R97-E100 WeakPolarHBondContact O-CB 3.33Å; R97-E100 VanDerWaalsContact O-CG 3.28Å; R97-E100 WeakPolarHBondContact O-CG 3.04Å; R97-E100 PolarHBondContact O-N 3.36Å; C98-E100 PolarHBondContact O-N 3.04Å; C98-E100 VanDerWaalsContact O-N 3.14Å; E100-E102 VanDerWaalsContact C-N 3.29Å; E100-E102 PolarHBondContact O-N 2.96Å; E100-Q103 PolarHBondContact O-N 3.49Å; E100-N104 WeakPolarHBondContact O-CB 3.28Å; E100-N104 PolarHBondContact O-N 2.7Å; E100-N104 PolarHBondContact O-ND2 3.24Å; E100-Y109 HydrophobicContact CB-CD2 4.35Å; E100-Y109 HydrophobicContact CB-CE1 4.49Å; E100-Y109 HydrophobicContact CB-CE2 3.65Å; E100-Y109 WeakPolarHBondContact OE2-CE2 3.49Å; E100-Y109 PolarHBondContact OE2-OH 3.2Å
101F98.5Very high98.1Very high0 Ų045.3 Ų45.30%024%0.238CC..Hα-helixtrans-59.2-42.6172.1-81.7-89.2000111.3C93 C98 S99 G105 E106 Y109 F110 L113 Y148 K151 Q152C93-F101 HydrophobicContact CB-CE2 3.61Å; C93-F101 HydrophobicContact CB-CZ 4.26Å; C98-F101 WeakPolarHBondContact O-CD2 3.41Å; C98-F101 PolarHBondContact O-N 2.89Å; S99-F101 PolarHBondContact O-N 2.91Å; F101-G105 CarbonylContact O-C 3.51Å; F101-G105 PolarHBondContact O-N 2.81Å; F101-E106 HydrophobicContact CD1-CG 4.36Å; F101-E106 WeakPolarHBondContact O-CA 3.38Å; F101-E106 PolarHBondContact O-N 3.31Å; F101-Y109 AromaticContact CD1-CD1 3.68Å; F101-Y109 HydrophobicContact CD1-CD1 3.68Å; F101-Y109 HydrophobicContact CD1-CG 4.36Å; F101-Y109 AromaticContact CD2-CD1 3.97Å; F101-Y109 HydrophobicContact CD2-CD1 3.97Å; F101-Y109 HydrophobicContact CD2-CE1 4.08Å; F101-Y109 AromaticContact CE1-CD1 3.72Å; F101-Y109 HydrophobicContact CE1-CD1 3.72Å; F101-Y109 HydrophobicContact CE1-CE1 4.43Å; F101-Y109 HydrophobicContact CE2-CD1 4.01Å; F101-Y109 AromaticContact CE2-CE1 3.96Å; F101-Y109 HydrophobicContact CE2-CE1 3.96Å; F101-Y109 AromaticContact CG-CD1 3.81Å; F101-Y109 HydrophobicContact CG-CD1 3.81Å; F101-Y109 HydrophobicContact CG-CE1 4.38Å; F101-Y109 HydrophobicContact CG-CG 4.5Å; F101-Y109 AromaticContact CZ-CD1 3.88Å; F101-Y109 HydrophobicContact CZ-CD1 3.88Å; F101-Y109 HydrophobicContact CZ-CE1 4.14Å; F101-F110 HydrophobicContact CE1-CB 4.11Å; F101-F110 HydrophobicContact CE1-CD2 4.31Å; F101-L113 HydrophobicContact CE1-CD1 4.47Å; F101-L113 HydrophobicContact CZ-CD1 3.93Å; F101-Y148 HydrophobicContact CB-CD1 3.72Å; F101-Y148 HydrophobicContact CB-CD2 4.03Å; F101-Y148 HydrophobicContact CB-CE1 3.46Å; F101-Y148 VanDerWaalsContact CB-CE1 3.46Å; F101-Y148 HydrophobicContact CB-CE2 3.77Å; F101-Y148 HydrophobicContact CB-CG 4.02Å; F101-Y148 VanDerWaalsContact CB-CZ 3.49Å; F101-Y148 AromaticContact CD1-CD1 3.83Å; F101-Y148 HydrophobicContact CD1-CD1 3.83Å; F101-Y148 HydrophobicContact CD1-CE1 4.04Å; F101-Y148 AromaticContact CD2-CD1 3.68Å; F101-Y148 HydrophobicContact CD2-CD1 3.68Å; F101-Y148 HydrophobicContact CD2-CD2 4.09Å; F101-Y148 HydrophobicContact CD2-CE1 4.34Å; F101-Y148 AromaticContact CD2-CG 3.56Å; F101-Y148 HydrophobicContact CD2-CG 3.56Å; F101-Y148 HydrophobicContact CE1-CD1 4.34Å; F101-Y148 HydrophobicContact CE2-CD1 4.2Å; F101-Y148 HydrophobicContact CE2-CG 4.11Å; F101-Y148 AromaticContact CG-CD1 3.47Å; F101-Y148 HydrophobicContact CG-CD1 3.47Å; F101-Y148 VanDerWaalsContact CG-CD1 3.47Å; F101-Y148 HydrophobicContact CG-CD2 4.29Å; F101-Y148 AromaticContact CG-CE1 3.72Å; F101-Y148 HydrophobicContact CG-CE1 3.72Å; F101-Y148 HydrophobicContact CG-CE2 4.46Å; F101-Y148 AromaticContact CG-CG 3.81Å; F101-Y148 HydrophobicContact CG-CG 3.81Å; F101-K151 HydrophobicContact CD1-CD 4.38Å; F101-K151 HydrophobicContact CE1-CD 4.15Å; F101-Q152 HydrophobicContact CZ-CG 4.33Å
102E97.1Very high98.1Very high107 Ų10746.1 Ų46.150%0.525%0.247SC..Hα-helixtrans-75.5-42.4-178.6-64.5176.2176.600111.1S99 E100 N104 G105 Y148S99-E102 PolarHBondContact O-N 2.94Å; S99-E102 VanDerWaalsContact O-N 3.13Å; E100-E102 VanDerWaalsContact C-N 3.29Å; E100-E102 PolarHBondContact O-N 2.96Å; E102-N104 VanDerWaalsContact C-N 3.33Å; E102-N104 PolarHBondContact O-N 2.83Å; E102-G105 PolarHBondContact O-N 3.46Å; E102-Y148 HydrophobicContact CG-CE2 3.82Å; E102-Y148 WeakPolarHBondContact CG-OH 3.4Å; E102-Y148 PolarHBondContact OE1-OH 3.45Å
103Q97.6Very high98.1Very high144 Ų14446.1 Ų46.167%0.67325%0.247SC*.Hα-helixtrans-65.6-34.9-177.5-67.216910.600112.9S99 E100S99-Q103 WeakPolarHBondContact O-CG 3.21Å; S99-Q103 PolarHBondContact O-N 2.97Å; S99-Q103 VanDerWaalsContact O-N 3.14Å; E100-Q103 PolarHBondContact O-N 3.49Å
104N96.8Very high98.1Very high80 Ų8049.7 Ų49.743%0.42826%0.263SS..THydrogen-bonded Turntrans-104.86.7-176-60.4-77000113.3E100 E102 Y109E100-N104 WeakPolarHBondContact O-CB 3.28Å; E100-N104 PolarHBondContact O-N 2.7Å; E100-N104 PolarHBondContact O-ND2 3.24Å; E102-N104 VanDerWaalsContact C-N 3.33Å; E102-N104 PolarHBondContact O-N 2.83Å; N104-Y109 HydrophobicContact CB-CD2 3.88Å
105G97.3Very high98.1Very high35 Ų3554.5 Ų54.536%0.36129%0.285SS..  trans80.1116.3-17400000112.3F101 E102 S107 Q108 Y109F101-G105 CarbonylContact O-C 3.51Å; F101-G105 PolarHBondContact O-N 2.81Å; E102-G105 PolarHBondContact O-N 3.46Å; G105-S107 VanDerWaalsContact C-N 3.33Å; G105-S107 PolarHBondContact O-N 3.38Å; G105-Q108 PolarHBondContact O-N 3.27Å; G105-Y109 PolarHBondContact O-N 3.11Å
106E97.2Very high98.1Very high61 Ų6155.4 Ų55.429%0.28529%0.29SS..Hα-helixtrans-53.6-47.1-167.9179.5-179.4138.800112.7F101 F110 K147 Y148 K151F101-E106 HydrophobicContact CD1-CG 4.36Å; F101-E106 WeakPolarHBondContact O-CA 3.38Å; F101-E106 PolarHBondContact O-N 3.31Å; E106-F110 VanDerWaalsContact O-CB 3.24Å; E106-F110 WeakPolarHBondContact O-CB 3.26Å; E106-F110 PolarHBondContact O-N 3.11Å; E106-K147 WeakPolarHBondContact OE2-CE 3.49Å; E106-K147 IonicContact OE2-NZ 3.48Å; E106-K147 PolarHBondContact OE2-NZ 3.12Å; E106-Y148 HydrophobicContact CG-CE1 3.87Å; E106-Y148 PolarHBondContact OE2-OH 2.86Å; E106-K151 HydrophobicContact CG-CD 4.12Å; E106-K151 VanDerWaalsContact OE1-CE 3.31Å; E106-K151 WeakPolarHBondContact OE1-CE 3.4Å; E106-K151 IonicContact OE1-NZ 3.39Å; E106-K151 PolarHBondContact OE1-NZ 3.47Å
107S97.2Very high98Very high98 Ų9854.3 Ų54.369%0.68528%0.284SS*.Hα-helixtrans-67.7-37.6179.5-56.50000113G105 S111G105-S107 VanDerWaalsContact C-N 3.33Å; G105-S107 PolarHBondContact O-N 3.38Å; S107-S111 WeakPolarHBondContact O-CB 3.35Å; S107-S111 PolarHBondContact O-N 2.69Å
108Q98.2Very high97.9Very high151 Ų15151.5 Ų51.571%0.70628%0.283SS*.Hα-helixtrans-71.7-45.4-178.8180176.2-3.100110.8G105 S111 G112G105-Q108 PolarHBondContact O-N 3.27Å; Q108-S111 PolarHBondContact O-N 3.44Å; Q108-G112 PolarHBondContact O-N 2.9Å
109Y98.5Very high97.9Very high6 Ų655.2 Ų55.22%0.02431%0.313CS..Hα-helixtrans-62.2-45.2177.4-165.7-92.7000111.4N70 L71 C93 E100 F101 N104 G105 S111 G112 L113N70-Y109 WeakPolarHBondContact CB-OH 3.39Å; L71-Y109 HydrophobicContact CB-CD2 4.4Å; L71-Y109 HydrophobicContact CB-CE1 4.45Å; L71-Y109 HydrophobicContact CB-CE2 3.72Å; L71-Y109 HydrophobicContact CD2-CD2 4.27Å; L71-Y109 HydrophobicContact CD2-CE2 4.36Å; L71-Y109 PolarHBondContact N-OH 3.45Å; L71-Y109 VanDerWaalsContact N-OH 3.09Å; C93-Y109 HydrophobicContact CB-CE1 4.15Å; E100-Y109 HydrophobicContact CB-CD2 4.35Å; E100-Y109 HydrophobicContact CB-CE1 4.49Å; E100-Y109 HydrophobicContact CB-CE2 3.65Å; E100-Y109 WeakPolarHBondContact OE2-CE2 3.49Å; E100-Y109 PolarHBondContact OE2-OH 3.2Å; F101-Y109 AromaticContact CD1-CD1 3.68Å; F101-Y109 HydrophobicContact CD1-CD1 3.68Å; F101-Y109 HydrophobicContact CD1-CG 4.36Å; F101-Y109 AromaticContact CD2-CD1 3.97Å; F101-Y109 HydrophobicContact CD2-CD1 3.97Å; F101-Y109 HydrophobicContact CD2-CE1 4.08Å; F101-Y109 AromaticContact CE1-CD1 3.72Å; F101-Y109 HydrophobicContact CE1-CD1 3.72Å; F101-Y109 HydrophobicContact CE1-CE1 4.43Å; F101-Y109 HydrophobicContact CE2-CD1 4.01Å; F101-Y109 AromaticContact CE2-CE1 3.96Å; F101-Y109 HydrophobicContact CE2-CE1 3.96Å; F101-Y109 AromaticContact CG-CD1 3.81Å; F101-Y109 HydrophobicContact CG-CD1 3.81Å; F101-Y109 HydrophobicContact CG-CE1 4.38Å; F101-Y109 HydrophobicContact CG-CG 4.5Å; F101-Y109 AromaticContact CZ-CD1 3.88Å; F101-Y109 HydrophobicContact CZ-CD1 3.88Å; F101-Y109 HydrophobicContact CZ-CE1 4.14Å; N104-Y109 HydrophobicContact CB-CD2 3.88Å; G105-Y109 PolarHBondContact O-N 3.11Å; Y109-S111 PolarHBondContact O-N 3.25Å; Y109-G112 PolarHBondContact O-N 3.13Å; Y109-L113 HydrophobicContact CD1-CD1 4Å; Y109-L113 HydrophobicContact CD1-CG 4.45Å; Y109-L113 HydrophobicContact CE1-CD1 3.81Å; Y109-L113 HydrophobicContact CE1-CG 4.28Å; Y109-L113 PolarHBondContact O-N 3.35Å; Y109-L113 VanDerWaalsContact O-N 3.15Å
110F98.3Very high97.9Very high25 Ų2556.8 Ų56.811%0.1132%0.318CS..Hα-helixtrans-59.8-45.4174.8-176.6-90.1000112.4F101 E106 G112 L113 K114 K151 D154 L155F101-F110 HydrophobicContact CE1-CB 4.11Å; F101-F110 HydrophobicContact CE1-CD2 4.31Å; E106-F110 VanDerWaalsContact O-CB 3.24Å; E106-F110 WeakPolarHBondContact O-CB 3.26Å; E106-F110 PolarHBondContact O-N 3.11Å; F110-G112 VanDerWaalsContact C-N 3.29Å; F110-G112 PolarHBondContact O-N 2.94Å; F110-L113 PolarHBondContact O-N 3.26Å; F110-K114 HydrophobicContact CE1-CD 4.31Å; F110-K114 WeakPolarHBondContact O-CB 3.45Å; F110-K114 PolarHBondContact O-N 3.36Å; F110-K151 HydrophobicContact CD2-CD 4.24Å; F110-K151 HydrophobicContact CD2-CG 4.2Å; F110-K151 HydrophobicContact CE2-CG 4.34Å; F110-D154 HydrophobicContact CE2-CB 3.73Å; F110-D154 HydrophobicContact CZ-CB 3.46Å; F110-D154 VanDerWaalsContact CZ-CB 3.46Å; F110-L155 HydrophobicContact CD2-CD2 4.35Å; F110-L155 HydrophobicContact CD2-CG 4.37Å; F110-L155 HydrophobicContact CE1-CD2 4.21Å; F110-L155 HydrophobicContact CE2-CD1 4.44Å; F110-L155 HydrophobicContact CE2-CD2 3.75Å; F110-L155 HydrophobicContact CE2-CG 3.64Å; F110-L155 HydrophobicContact CZ-CD2 3.65Å; F110-L155 HydrophobicContact CZ-CG 3.95Å
111S98.2Very high97.4Very high44 Ų4464 Ų6431%0.30834%0.344SS..Hα-helixtrans-60-41176.7-156.10000111.4S107 Q108 Y109 L113 K114 E115S107-S111 WeakPolarHBondContact O-CB 3.35Å; S107-S111 PolarHBondContact O-N 2.69Å; Q108-S111 PolarHBondContact O-N 3.44Å; Y109-S111 PolarHBondContact O-N 3.25Å; S111-L113 PolarHBondContact O-N 3.08Å; S111-K114 PolarHBondContact O-N 2.93Å; S111-E115 WeakPolarHBondContact O-CB 3.46Å; S111-E115 VanDerWaalsContact O-CG 3.26Å; S111-E115 WeakPolarHBondContact O-CG 3.41Å; S111-E115 PolarHBondContact O-N 3.31Å; S111-E115 PolarHBondContact OG-OE1 2.77Å
112G98.6Very high97.2Very high18 Ų1866.6 Ų66.619%0.18637%0.37CS..Hα-helixtrans-60.1-44.6177.300000113.2Q108 Y109 F110 L116Q108-G112 PolarHBondContact O-N 2.9Å; Y109-G112 PolarHBondContact O-N 3.13Å; F110-G112 VanDerWaalsContact C-N 3.29Å; F110-G112 PolarHBondContact O-N 2.94Å; G112-L116 VanDerWaalsContact O-CB 3.32Å; G112-L116 WeakPolarHBondContact O-CB 3.22Å; G112-L116 PolarHBondContact O-N 2.88Å
113L98.7Very high97.3Very high0 Ų063.2 Ų63.20%035%0.354CS..Hα-helixtrans-63.1-45.5175.7-68.7171.8000111.4L71 V91 C93 F101 Y109 F110 S111 L116 A117 L155L71-L113 HydrophobicContact CB-CD2 4.04Å; L71-L113 HydrophobicContact CD1-CD2 3.94Å; L71-L113 HydrophobicContact CD1-CG 4.31Å; V91-L113 HydrophobicContact CG1-CB 4.29Å; V91-L113 HydrophobicContact CG1-CD2 3.86Å; C93-L113 HydrophobicContact CB-CD1 4.35Å; F101-L113 HydrophobicContact CE1-CD1 4.47Å; F101-L113 HydrophobicContact CZ-CD1 3.93Å; Y109-L113 HydrophobicContact CD1-CD1 4Å; Y109-L113 HydrophobicContact CD1-CG 4.45Å; Y109-L113 HydrophobicContact CE1-CD1 3.81Å; Y109-L113 HydrophobicContact CE1-CG 4.28Å; Y109-L113 PolarHBondContact O-N 3.35Å; Y109-L113 VanDerWaalsContact O-N 3.15Å; F110-L113 PolarHBondContact O-N 3.26Å; S111-L113 PolarHBondContact O-N 3.08Å; L113-L116 PolarHBondContact O-N 3.09Å; L113-A117 PolarHBondContact O-N 2.89Å; L113-L155 HydrophobicContact CB-CD1 3.93Å; L113-L155 HydrophobicContact CB-CD2 4.39Å; L113-L155 HydrophobicContact CD1-CD1 4.1Å
114K98.3Very high97.3Very high75 Ų7556.5 Ų56.533%0.32632%0.323SS..Hα-helixtrans-61-49.1179.1176.8177.9173.9160.30112.1F110 S111 L116 A117 A118 L155 E158F110-K114 HydrophobicContact CE1-CD 4.31Å; F110-K114 WeakPolarHBondContact O-CB 3.45Å; F110-K114 PolarHBondContact O-N 3.36Å; S111-K114 PolarHBondContact O-N 2.93Å; K114-L116 VanDerWaalsContact C-N 3.34Å; K114-A117 PolarHBondContact O-N 2.94Å; K114-A118 VanDerWaalsContact O-CB 3.3Å; K114-A118 WeakPolarHBondContact O-CB 3.03Å; K114-A118 PolarHBondContact O-N 2.99Å; K114-L155 HydrophobicContact CB-CD2 3.69Å; K114-L155 HydrophobicContact CG-CD2 4.48Å; K114-E158 WeakPolarHBondContact CD-OE2 3.37Å; K114-E158 WeakPolarHBondContact CE-OE2 3.42Å; K114-E158 IonicContact NZ-OE1 3.06Å; K114-E158 PolarHBondContact NZ-OE1 3.48Å; K114-E158 IonicContact NZ-OE2 2.64Å; K114-E158 PolarHBondContact NZ-OE2 3.13Å
115E98.3Very high97.4Very high121 Ų12153.1 Ų53.157%0.56531%0.305SS*.Hα-helixtrans-61.9-43.3179.6-74.9166.7-148.100111.1S111 A118 A119S111-E115 WeakPolarHBondContact O-CB 3.46Å; S111-E115 VanDerWaalsContact O-CG 3.26Å; S111-E115 WeakPolarHBondContact O-CG 3.41Å; S111-E115 PolarHBondContact O-N 3.31Å; S111-E115 PolarHBondContact OG-OE1 2.77Å; E115-A118 PolarHBondContact O-N 3.14Å; E115-A119 VanDerWaalsContact O-CB 3.23Å; E115-A119 WeakPolarHBondContact O-CB 3.27Å; E115-A119 PolarHBondContact O-N 2.83Å
116L98.6Very high97.5Very high20 Ų2051.4 Ų51.411%0.10529%0.288CS..Hα-helixtrans-62.3-48.5177.6-173.168.3000111.7L71 K75 V78 V91 G112 L113 K114 A118 A119 H120L71-L116 HydrophobicContact CD1-CD2 4.35Å; K75-L116 HydrophobicContact CG-CD1 4.12Å; K75-L116 HydrophobicContact CG-CD2 3.98Å; V78-L116 HydrophobicContact CG2-CD1 4.2Å; V78-L116 HydrophobicContact CG2-CD2 4.39Å; V78-L116 HydrophobicContact CG2-CG 4.21Å; V91-L116 HydrophobicContact CG1-CD2 4.17Å; V91-L116 HydrophobicContact CG2-CD2 4Å; V91-L116 HydrophobicContact CG2-CG 4.2Å; G112-L116 VanDerWaalsContact O-CB 3.32Å; G112-L116 WeakPolarHBondContact O-CB 3.22Å; G112-L116 PolarHBondContact O-N 2.88Å; L113-L116 PolarHBondContact O-N 3.09Å; K114-L116 VanDerWaalsContact C-N 3.34Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 2.88Å; L116-A119 PolarHBondContact O-N 3.03Å; L116-H120 PolarHBondContact O-CD2 3.29Å; L116-H120 PolarHBondContact O-N 2.84Å
117A98Very high97.6Very high3 Ų348.6 Ų48.63%0.02528%0.275CS..Hα-helixtrans-62.2-38.9177.500000112.2V91 L113 K114 V124 I127 T159V91-A117 HydrophobicContact CB-CB 4.3Å; V91-A117 HydrophobicContact CG1-CB 4.33Å; L113-A117 PolarHBondContact O-N 2.89Å; K114-A117 PolarHBondContact O-N 2.94Å; A117-V124 HydrophobicContact CB-CG1 4.19Å; A117-I127 HydrophobicContact CB-CD1 4.23Å; A117-T159 HydrophobicContact CB-CG2 4.13Å
118A96.5Very high97.6Very high45 Ų4543.9 Ų43.937%0.37224%0.242SC..Hα-helixtrans-72.6-37.518000000113.4K114 E115 L116 R121K114-A118 VanDerWaalsContact O-CB 3.3Å; K114-A118 WeakPolarHBondContact O-CB 3.03Å; K114-A118 PolarHBondContact O-N 2.99Å; E115-A118 PolarHBondContact O-N 3.14Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 2.88Å; A118-R121 WeakPolarHBondContact O-CG 3.3Å
119A97.6Very high97.7Very high77 Ų7737.5 Ų37.564%0.63621%0.212SC*.Hα-helixtrans-71.8-28.6-177.200000113E115 L116E115-A119 VanDerWaalsContact O-CB 3.23Å; E115-A119 WeakPolarHBondContact O-CB 3.27Å; E115-A119 PolarHBondContact O-N 2.83Å; L116-A119 PolarHBondContact O-N 3.03Å
120H97.4Very high97.7Very high54 Ų5437.2 Ų37.225%0.2521%0.211CC..THydrogen-bonded Turntrans-114.437.5-173.7-59.4-90.1000112.7V78 E82 L116 G122 K123 V124V78-H120 HydrophobicContact CG1-CB 4.01Å; V78-H120 VanDerWaalsContact CG1-CG 3.46Å; V78-H120 WeakPolarHBondContact CG1-ND1 3.34Å; V78-H120 HydrophobicContact CG2-CB 4.49Å; E82-H120 IonicContact OE1-CE1 3.26Å; E82-H120 PolarHBondContact OE1-CE1 2.69Å; E82-H120 VanDerWaalsContact OE1-CE1 3.26Å; E82-H120 IonicContact OE1-CG 3.85Å; E82-H120 IonicContact OE1-ND1 2.74Å; E82-H120 PolarHBondContact OE1-ND1 3.32Å; L116-H120 PolarHBondContact O-CD2 3.29Å; L116-H120 PolarHBondContact O-N 2.84Å; H120-G122 PolarHBondContact O-N 3.11Å; H120-G122 VanDerWaalsContact O-N 3.14Å; H120-K123 PolarHBondContact O-N 2.85Å; H120-V124 HydrophobicContact CB-CG2 3.92Å; H120-V124 PolarHBondContact O-N 2.78Å
121R89.3Confident97.7Very high180 Ų18036 Ų3668%0.67921%0.206SC*.BIsolated β-bridgetrans-56.1116.1172.2-75.3178.7-179.4-126.8-2.3109.5A118A118-R121 WeakPolarHBondContact O-CG 3.3Å
122G94.1Very high97.7Very high54 Ų5434 Ų3456%0.55719%0.191SC*.THydrogen-bonded Turntrans118.3-25.2-175.200000113.5Y88 H120Y88-G122 WeakPolarHBondContact CD1-O 3.34Å; Y88-G122 WeakPolarHBondContact CE1-O 3.45Å; H120-G122 PolarHBondContact O-N 3.11Å; H120-G122 VanDerWaalsContact O-N 3.14Å
123K98.3Very high97.7Very high36 Ų3633.6 Ų33.616%0.15719%0.185CC..THydrogen-bonded Turntrans-106.2-38.9168-68.7-54.4-166.3172.60112.3A81 E82 R84 F87 Y88 C89 H120 V125A81-K123 HydrophobicContact CB-CB 4.32Å; A81-K123 HydrophobicContact CB-CD 4.34Å; A81-K123 WeakPolarHBondContact O-CE 3.45Å; A81-K123 PolarHBondContact O-NZ 3.45Å; E82-K123 HydrophobicContact CG-CG 4.18Å; R84-K123 PolarHBondContact O-NZ 3.2Å; F87-K123 VanDerWaalsContact O-CD 3.32Å; F87-K123 WeakPolarHBondContact O-CD 3.4Å; F87-K123 PolarHBondContact O-NZ 2.82Å; Y88-K123 CarbonylContact C-O 2.95Å; Y88-K123 WeakPolarHBondContact CA-O 3.28Å; Y88-K123 WeakPolarHBondContact CB-O 3.24Å; C89-K123 PolarHBondContact N-O 3.13Å; H120-K123 PolarHBondContact O-N 2.85Å; K123-V125 PolarHBondContact O-N 3.21Å
124V98.6Very high97.7Very high3 Ų334.8 Ų34.82%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-79.8112.9172.7-176.70000109V78 C89 V91 A117 H120 L161V78-V124 HydrophobicContact CG2-CG2 3.8Å; C89-V124 WeakPolarHBondContact O-CA 3.2Å; V91-V124 HydrophobicContact CB-CG1 4.04Å; V91-V124 HydrophobicContact CG2-CB 4.29Å; V91-V124 HydrophobicContact CG2-CG1 3.59Å; V91-V124 HydrophobicContact CG2-CG2 3.64Å; A117-V124 HydrophobicContact CB-CG1 4.19Å; H120-V124 HydrophobicContact CB-CG2 3.92Å; H120-V124 PolarHBondContact O-N 2.78Å; V124-L161 HydrophobicContact CG1-CD1 3.89Å
125V98.7Very high97.7Very high9 Ų934.9 Ų34.96%0.05519%0.194CC..EExtended strand (participates in β ladder)trans-113.5-9.3-175-63.10000113.8M65 Y88 C89 K123 P162 F311M65-V125 HydrophobicContact CE-CG2 4.15Å; M65-V125 HydrophobicContact CG-CG2 4.07Å; M65-V125 HydrophobicContact SD-CG2 4.32Å; Y88-V125 HydrophobicContact CD1-CG1 3.52Å; Y88-V125 HydrophobicContact CE1-CG1 4.39Å; Y88-V125 HydrophobicContact CG-CG1 4.06Å; C89-V125 PolarHBondContact O-N 3.45Å; K123-V125 PolarHBondContact O-N 3.21Å; V125-P162 WeakPolarHBondContact O-CD 3.47Å; V125-P162 WeakPolarHBondContact O-CG 3.16Å; V125-F311 HydrophobicContact CG1-CD1 4.44Å; V125-F311 HydrophobicContact CG1-CE1 3.98Å; V125-F311 HydrophobicContact CG2-CZ 4.5Å
126A98.8Very high97.6Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-149.6152.1177.600000112.5T90 V91 P162 F164 F310T90-A126 WeakPolarHBondContact CA-O 3.16Å; T90-A126 HydrophobicContact CG2-CB 4.07Å; V91-A126 PolarHBondContact N-O 3.38Å; V91-A126 VanDerWaalsContact N-O 3.09Å; A126-P162 CarbonylContact C-O 3.23Å; A126-P162 WeakPolarHBondContact CA-O 3.31Å; A126-P162 WeakPolarHBondContact CB-O 3.41Å; A126-F164 HydrophobicContact CB-CB 4.06Å; A126-F310 HydrophobicContact CB-CD1 4.03Å; A126-F310 HydrophobicContact CB-CE1 3.7Å
127I98.9Very high97.6Very high1 Ų136.9 Ų36.91%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-87.6122.8164.1-59.9-51.8000108.9V91 A117 L155 A156 T159 L161 P162 M163 F164V91-I127 CarbonylContact O-C 3.06Å; V91-I127 WeakPolarHBondContact O-CA 3.02Å; A117-I127 HydrophobicContact CB-CD1 4.23Å; I127-L155 HydrophobicContact CD1-CB 4.15Å; I127-L155 HydrophobicContact CG1-CB 4.19Å; I127-L155 HydrophobicContact CG2-CB 3.92Å; I127-L155 HydrophobicContact CG2-CD1 4.29Å; I127-A156 HydrophobicContact CG1-CB 4.45Å; I127-T159 HydrophobicContact CD1-CG2 4.19Å; I127-L161 HydrophobicContact CD1-CD1 4.1Å; I127-L161 HydrophobicContact CG1-CB 4.16Å; I127-P162 PolarHBondContact N-O 2.94Å; I127-M163 CarbonylContact O-C 3.53Å; I127-M163 VanDerWaalsContact O-CA 3.27Å; I127-M163 WeakPolarHBondContact O-CA 3.16Å; I127-F164 PolarHBondContact O-N 2.85Å
128G98.4Very high97.6Very high0 Ų043.3 Ų43.30%023%0.23CC..EExtended strand (participates in β ladder)trans144.6178.5-174.700000111G68 T90 V91 G92G68-G128 CarbonylContact O-C 3.51Å; T90-G128 CarbonylContact C-O 3.45Å; T90-G128 WeakPolarHBondContact CB-O 3.3Å; T90-G128 PolarHBondContact OG1-O 3.18Å; V91-G128 CarbonylContact C-O 3.52Å; V91-G128 WeakPolarHBondContact CA-O 3.3Å; V91-G128 PolarHBondContact N-O 3.02Å; V91-G128 VanDerWaalsContact N-O 3.1Å; V91-G128 PolarHBondContact O-N 3.07Å; G92-G128 PolarHBondContact N-O 3.49Å; G92-G128 VanDerWaalsContact N-O 3.08Å
129E98.8Very high97.7Very high17 Ų1747.1 Ų47.18%0.07924%0.238CC..EExtended strand (participates in β ladder)cis-72.2128.33.7-169.3-179.3173.100111.7T67 G68 C93 H94 F164 H166 H191T67-E129 HydrophobicContact CG2-CB 3.75Å; T67-E129 HydrophobicContact CG2-CG 4.46Å; T67-E129 WeakPolarHBondContact CG2-OE2 3.21Å; G68-E129 PolarHBondContact O-N 2.64Å; C93-E129 CarbonylContact C-O 3.54Å; H94-E129 VanDerWaalsContact CA-O 3.25Å; H94-E129 WeakPolarHBondContact CA-O 3.37Å; H94-E129 IonicContact CD2-OE1 3.81Å; H94-E129 PolarHBondContact CD2-OE1 3.13Å; H94-E129 VanDerWaalsContact CD2-OE1 3.3Å; H94-E129 IonicContact CD2-OE2 2.65Å; H94-E129 PolarHBondContact CD2-OE2 3.02Å; H94-E129 PolarHBondContact N-O 3.43Å; H94-E129 IonicContact NE2-OE1 2.55Å; H94-E129 PolarHBondContact NE2-OE1 3.47Å; E129-F164 HydrophobicContact CB-CD1 3.98Å; E129-F164 HydrophobicContact CB-CE1 4.31Å; E129-F164 HydrophobicContact CG-CD1 4.04Å; E129-F164 HydrophobicContact CG-CE1 4.14Å; E129-H166 HydrophobicContact CG-CB 3.96Å; E129-H166 IonicContact OE1-CE1 3.94Å; E129-H166 IonicContact OE1-CG 3.53Å; E129-H166 IonicContact OE1-ND1 2.82Å; E129-H166 PolarHBondContact OE1-ND1 3.46Å; E129-H191 WeakPolarHBondContact CG-NE2 3.47Å; E129-H191 IonicContact OE1-CD2 2.73Å; E129-H191 IonicContact OE1-CE1 3.71Å; E129-H191 PolarHBondContact OE1-CE1 3.37Å; E129-H191 IonicContact OE1-NE2 2.71Å; E129-H191 PolarHBondContact OE1-NE2 3.27Å
130C98.8Very high97.7Very high0 Ų043.5 Ų43.50%021%0.208CC..EExtended strand (participates in β ladder)trans-145.6154.1178.564.40000111Q152 F164 L165 H166C130-Q152 HydrophobicContact CB-CB 4.47Å; C130-Q152 VanDerWaalsContact CB-CD 3.47Å; C130-Q152 VanDerWaalsContact CB-OE1 3.25Å; C130-F164 PolarHBondContact N-O 2.84Å; C130-L165 CarbonylContact O-C 3.54Å; C130-L165 VanDerWaalsContact O-CA 3.27Å; C130-L165 WeakPolarHBondContact O-CA 3.49Å; C130-H166 PolarHBondContact O-N 3.42Å
131G98.8Very high97.8Very high0 Ų044.2 Ų44.20%022%0.218CC..EExtended strand (participates in β ladder)trans150.9-144.1-17600000111.8P95 H166P95-G131 WeakPolarHBondContact CB-O 3.39Å; G131-H166 CarbonylContact C-O 3.39Å; G131-H166 VanDerWaalsContact CA-O 3.25Å; G131-H166 WeakPolarHBondContact CA-O 3.45Å
132L98.9Very high98.2Very high0 Ų038.9 Ų38.90%020%0.199CC..EExtended strand (participates in β ladder)trans-133.3136.2-175.1-59.8178000111.5F134 Q145 L146 F149 H166 C167 R168 S170 E173 F174 I177L132-F134 HydrophobicContact CB-CE1 4.04Å; L132-F134 HydrophobicContact CB-CZ 4.49Å; L132-F134 HydrophobicContact CD1-CE1 4.27Å; L132-F134 HydrophobicContact CD1-CZ 4.04Å; L132-F134 HydrophobicContact CD2-CE1 4.28Å; L132-F134 HydrophobicContact CG-CE1 4.43Å; L132-Q145 HydrophobicContact CD2-CB 3.79Å; L132-L146 HydrophobicContact CD1-CD2 3.77Å; L132-L146 HydrophobicContact CD2-CD2 3.94Å; L132-L146 HydrophobicContact CD2-CG 4.42Å; L132-F149 HydrophobicContact CD1-CD1 4.28Å; L132-F149 HydrophobicContact CD2-CB 4.08Å; L132-F149 HydrophobicContact CD2-CD1 4.02Å; L132-F149 HydrophobicContact CD2-CG 4.44Å; L132-F149 HydrophobicContact CG-CD1 3.81Å; L132-F149 HydrophobicContact CG-CE1 4.41Å; L132-H166 PolarHBondContact N-O 3.03Å; L132-H166 PolarHBondContact O-CD2 2.98Å; L132-C167 WeakPolarHBondContact O-CA 3.32Å; L132-R168 PolarHBondContact O-N 2.82Å; L132-S170 VanDerWaalsContact CB-OG 3.28Å; L132-S170 WeakPolarHBondContact CB-OG 3.5Å; L132-S170 PolarHBondContact O-OG 3.23Å; L132-S170 VanDerWaalsContact O-OG 3.1Å; L132-E173 HydrophobicContact CD1-CB 3.79Å; L132-F174 HydrophobicContact CD1-CB 4.13Å; L132-I177 HydrophobicContact CD1-CD1 4.38Å
133D98.7Very high98.4Very high10 Ų1042.9 Ų42.95%0.05320%0.204CC..EExtended strand (participates in β ladder)trans-136.996.9175.4-173.4-15.8000109.7P95 D135 R136 Q145 H166 R168P95-D133 HydrophobicContact CB-CB 4.05Å; P95-D133 HydrophobicContact CG-CB 3.77Å; D133-D135 VanDerWaalsContact C-N 3.29Å; D133-D135 WeakPolarHBondContact OD1-CB 3.42Å; D133-D135 PolarHBondContact OD1-N 2.86Å; D133-R136 HydrophobicContact CB-CB 4.36Å; D133-R136 PolarHBondContact O-N 3.14Å; D133-R136 PolarHBondContact OD1-N 3.48Å; D133-R136 WeakPolarHBondContact OD2-CG 3.25Å; D133-Q145 PolarHBondContact O-NE2 3.42Å; D133-Q145 PolarHBondContact O-OE1 3.08Å; D133-H166 IonicContact OD2-NE2 2.84Å; D133-R168 HydrophobicContact CB-CB 4.29Å
134F98.5Very high98.4Very high26 Ų2642 Ų4211%0.11420%0.201CC..THydrogen-bonded Turntrans-86-1.9-179.7-63.5-7.6000113.1L132 R136 L137 K142 L146 R168 N169 E173L132-F134 HydrophobicContact CB-CE1 4.04Å; L132-F134 HydrophobicContact CB-CZ 4.49Å; L132-F134 HydrophobicContact CD1-CE1 4.27Å; L132-F134 HydrophobicContact CD1-CZ 4.04Å; L132-F134 HydrophobicContact CD2-CE1 4.28Å; L132-F134 HydrophobicContact CG-CE1 4.43Å; F134-R136 VanDerWaalsContact C-N 3.25Å; F134-L137 HydrophobicContact CB-CD2 4.47Å; F134-L137 HydrophobicContact CD1-CD2 4.06Å; F134-L137 WeakPolarHBondContact O-CG 3.01Å; F134-K142 HydrophobicContact CD1-CG 4.44Å; F134-K142 HydrophobicContact CE1-CD 4.26Å; F134-K142 HydrophobicContact CE1-CG 3.81Å; F134-K142 HydrophobicContact CE2-CD 4.16Å; F134-K142 HydrophobicContact CZ-CD 3.95Å; F134-K142 HydrophobicContact CZ-CG 3.88Å; F134-L146 HydrophobicContact CZ-CD2 4.4Å; F134-R168 PolarHBondContact N-O 3.06Å; F134-N169 HydrophobicContact CB-CB 4.39Å; F134-N169 WeakPolarHBondContact CB-O 3.38Å; F134-N169 WeakPolarHBondContact CD2-O 3.49Å; F134-E173 HydrophobicContact CE2-CB 4.39Å; F134-E173 HydrophobicContact CE2-CG 4.22Å; F134-E173 HydrophobicContact CZ-CB 4.13Å; F134-E173 HydrophobicContact CZ-CG 4.18Å
135D97.8Very high98.5Very high77 Ų7741.9 Ų41.941%0.41220%0.2SC..THydrogen-bonded Turntrans-85.8-0.7168.7-72.8-9.6000112.1D133 N169D133-D135 VanDerWaalsContact C-N 3.29Å; D133-D135 WeakPolarHBondContact OD1-CB 3.42Å; D133-D135 PolarHBondContact OD1-N 2.86Å; D135-N169 VanDerWaalsContact OD1-CB 3.27Å; D135-N169 WeakPolarHBondContact OD1-CB 3.34Å; D135-N169 PolarHBondContact OD1-ND2 3.04Å
136R97.2Very high98.5Very high109 Ų10943 Ų4341%0.41121%0.206SC..  trans-131.331.4-174.8-65.9-63-177.8-74.2-15.1113.5T96 D133 F134 E138 F139T96-R136 HydrophobicContact CG2-CB 3.49Å; T96-R136 VanDerWaalsContact CG2-CB 3.49Å; T96-R136 HydrophobicContact CG2-CG 4.02Å; D133-R136 HydrophobicContact CB-CB 4.36Å; D133-R136 PolarHBondContact O-N 3.14Å; D133-R136 PolarHBondContact OD1-N 3.48Å; D133-R136 WeakPolarHBondContact OD2-CG 3.25Å; F134-R136 VanDerWaalsContact C-N 3.25Å; R136-E138 VanDerWaalsContact CA-OE2 3.28Å; R136-E138 WeakPolarHBondContact CA-OE2 3.21Å; R136-E138 PolarHBondContact O-N 3.47Å; R136-E138 VanDerWaalsContact O-N 3.12Å; R136-F139 HydrophobicContact CB-CD2 3.93Å; R136-F139 HydrophobicContact CG-CD2 4.36Å; R136-F139 PolarHBondContact O-N 2.77Å
137L97.9Very high98.5Very high74 Ų7447.6 Ų47.639%0.38723%0.226SC..THydrogen-bonded Turntrans-62.3-18.9-179-62.7-178.6000113.5F134 F139 C140 K142F134-L137 HydrophobicContact CB-CD2 4.47Å; F134-L137 HydrophobicContact CD1-CD2 4.06Å; F134-L137 WeakPolarHBondContact O-CG 3.01Å; L137-F139 PolarHBondContact O-N 3.13Å; L137-C140 CarbonylContact O-C 3.55Å; L137-K142 HydrophobicContact CD2-CB 3.96Å
138E98Very high98.5Very high137 Ų13747.6 Ų47.664%0.6423%0.226SC*.THydrogen-bonded Turntrans-65.9-22.3172.170.7-82.4-165.500113.6R136R136-E138 VanDerWaalsContact CA-OE2 3.28Å; R136-E138 WeakPolarHBondContact CA-OE2 3.21Å; R136-E138 PolarHBondContact O-N 3.47Å; R136-E138 VanDerWaalsContact O-N 3.12Å
139F98.1Very high98.5Very high126 Ų12647.6 Ų47.655%0.55323%0.226SC*.THydrogen-bonded Turntrans-93.4-37.1177.5-65.3-77.5000112.7T96 R136 L137T96-F139 HydrophobicContact CG2-CB 4.22Å; R136-F139 HydrophobicContact CB-CD2 3.93Å; R136-F139 HydrophobicContact CG-CD2 4.36Å; R136-F139 PolarHBondContact O-N 2.77Å; L137-F139 PolarHBondContact O-N 3.13Å
140C98.4Very high98.5Very high0 Ų049.3 Ų49.30%023%0.234CC..SBendtrans-150.6123.6178.1-173.20000110.4P95 S99 L137 T144 Q145P95-C140 WeakPolarHBondContact O-CB 3.42Å; P95-C140 PolarHBondContact O-SG 3.49Å; P95-C140 VanDerWaalsContact O-SG 3.37Å; S99-C140 PolarHBondContact OG-SG 2.84Å; L137-C140 CarbonylContact O-C 3.55Å; C140-T144 VanDerWaalsContact SG-CB 3.57Å; C140-T144 WeakPolarHBondContact SG-CG2 3.45Å; C140-Q145 HydrophobicContact CB-CG 4.03Å; C140-Q145 PolarHBondContact O-NE2 3.17Å
141P98.3Very high98.5Very high69 Ų6951.4 Ų51.445%0.44824%0.243SC..  trans-59.9150.5179.6-23.233.4000112.8E143 T144 Q145P141-E143 VanDerWaalsContact C-N 3.32Å; P141-E143 PolarHBondContact O-N 3.02Å; P141-T144 WeakPolarHBondContact O-CB 3.18Å; P141-T144 PolarHBondContact O-N 3.42Å; P141-Q145 WeakPolarHBondContact O-CG 3.29Å; P141-Q145 PolarHBondContact O-N 3.47Å
142K98.6Very high98.5Very high68 Ų6851.4 Ų51.430%0.29624%0.243SC..Hα-helixtrans-50.6-48.4-178.4177.8172178.2171.80112.9F134 L137 T144 Q145 L146 E173F134-K142 HydrophobicContact CD1-CG 4.44Å; F134-K142 HydrophobicContact CE1-CD 4.26Å; F134-K142 HydrophobicContact CE1-CG 3.81Å; F134-K142 HydrophobicContact CE2-CD 4.16Å; F134-K142 HydrophobicContact CZ-CD 3.95Å; F134-K142 HydrophobicContact CZ-CG 3.88Å; L137-K142 HydrophobicContact CD2-CB 3.96Å; K142-T144 VanDerWaalsContact C-N 3.31Å; K142-T144 PolarHBondContact O-N 3.36Å; K142-Q145 WeakPolarHBondContact O-CB 3.21Å; K142-Q145 PolarHBondContact O-N 2.87Å; K142-Q145 VanDerWaalsContact O-N 3.16Å; K142-L146 HydrophobicContact CG-CD1 3.93Å; K142-L146 HydrophobicContact CG-CG 4.31Å; K142-L146 VanDerWaalsContact O-CG 3.32Å; K142-L146 WeakPolarHBondContact O-CG 3.44Å; K142-L146 PolarHBondContact O-N 3.34Å; K142-E173 WeakPolarHBondContact CE-OE1 3.46Å; K142-E173 IonicContact NZ-OE1 3.25Å; K142-E173 PolarHBondContact NZ-OE1 2.96Å
143E98.6Very high98.5Very high139 Ų13951.4 Ų51.465%0.6524%0.243SC*.Hα-helixtrans-60.7-40.5-179.1-60.1-56.815100112.6P141 L146 K147P141-E143 VanDerWaalsContact C-N 3.32Å; P141-E143 PolarHBondContact O-N 3.02Å; E143-L146 PolarHBondContact O-N 2.85Å; E143-K147 WeakPolarHBondContact O-CB 3.43Å; E143-K147 PolarHBondContact O-N 3.27Å
144T98.7Very high98.5Very high17 Ų1753.3 Ų53.310%0.10425%0.253CS..Hα-helixtrans-66.3-41.4176.3-53.40000110.8C98 C140 P141 K142 Y148C98-T144 HydrophobicContact CB-CG2 4.21Å; C140-T144 VanDerWaalsContact SG-CB 3.57Å; C140-T144 WeakPolarHBondContact SG-CG2 3.45Å; P141-T144 WeakPolarHBondContact O-CB 3.18Å; P141-T144 PolarHBondContact O-N 3.42Å; K142-T144 VanDerWaalsContact C-N 3.31Å; K142-T144 PolarHBondContact O-N 3.36Å; T144-Y148 HydrophobicContact CG2-CD2 3.68Å; T144-Y148 HydrophobicContact CG2-CE2 3.74Å; T144-Y148 WeakPolarHBondContact O-CD2 3.43Å; T144-Y148 PolarHBondContact O-N 3.49Å; T144-Y148 VanDerWaalsContact O-N 3.13Å
145Q98.9Very high98.4Very high0 Ų052.1 Ų52.10%025%0.248CC..Hα-helixtrans-61.9-49174.7-62.1-16919.800111.7P95 L132 D133 C140 P141 K142 K147 Y148 F149P95-Q145 HydrophobicContact CB-CG 4.09Å; P95-Q145 WeakPolarHBondContact O-CG 3.38Å; L132-Q145 HydrophobicContact CD2-CB 3.79Å; D133-Q145 PolarHBondContact O-NE2 3.42Å; D133-Q145 PolarHBondContact O-OE1 3.08Å; C140-Q145 HydrophobicContact CB-CG 4.03Å; C140-Q145 PolarHBondContact O-NE2 3.17Å; P141-Q145 WeakPolarHBondContact O-CG 3.29Å; P141-Q145 PolarHBondContact O-N 3.47Å; K142-Q145 WeakPolarHBondContact O-CB 3.21Å; K142-Q145 PolarHBondContact O-N 2.87Å; K142-Q145 VanDerWaalsContact O-N 3.16Å; Q145-K147 PolarHBondContact O-N 3.27Å; Q145-Y148 PolarHBondContact O-N 3.33Å; Q145-F149 WeakPolarHBondContact O-CB 3.36Å; Q145-F149 PolarHBondContact O-N 3.02Å
146L98.9Very high98.4Very high33 Ų3348.4 Ų48.417%0.17323%0.228CC..Hα-helixtrans-57.6-50.2179.6-68.3170000111.5L132 F134 K142 E143 Y148 E150 E173 I177L132-L146 HydrophobicContact CD1-CD2 3.77Å; L132-L146 HydrophobicContact CD2-CD2 3.94Å; L132-L146 HydrophobicContact CD2-CG 4.42Å; F134-L146 HydrophobicContact CZ-CD2 4.4Å; K142-L146 HydrophobicContact CG-CD1 3.93Å; K142-L146 HydrophobicContact CG-CG 4.31Å; K142-L146 VanDerWaalsContact O-CG 3.32Å; K142-L146 WeakPolarHBondContact O-CG 3.44Å; K142-L146 PolarHBondContact O-N 3.34Å; E143-L146 PolarHBondContact O-N 2.85Å; L146-Y148 PolarHBondContact O-N 2.87Å; L146-E150 PolarHBondContact O-N 3.1Å; L146-E150 VanDerWaalsContact O-N 3.14Å; L146-E173 HydrophobicContact CD2-CB 3.77Å; L146-E173 HydrophobicContact CD2-CG 4.17Å; L146-I177 HydrophobicContact CB-CD1 4.43Å; L146-I177 HydrophobicContact CD2-CD1 3.66Å
147K98.8Very high98.5Very high96 Ų9646.9 Ų46.942%0.41723%0.226SC..Hα-helixtrans-57.8-50.4-179.7-178.7-174.5174.3-162.80111.9E106 E143 Q145 K151E106-K147 WeakPolarHBondContact OE2-CE 3.49Å; E106-K147 IonicContact OE2-NZ 3.48Å; E106-K147 PolarHBondContact OE2-NZ 3.12Å; E143-K147 WeakPolarHBondContact O-CB 3.43Å; E143-K147 PolarHBondContact O-N 3.27Å; Q145-K147 PolarHBondContact O-N 3.27Å; K147-K151 PolarHBondContact O-N 2.72Å
148Y98.8Very high98.4Very high2 Ų247.7 Ų47.71%0.00823%0.228CC..Hα-helixtrans-88.5-15.4-172.4-64.4-57.4000114.1C98 F101 E102 E106 T144 Q145 L146 K151 Q152C98-Y148 HydrophobicContact CB-CD2 4.03Å; C98-Y148 HydrophobicContact CB-CG 4.4Å; C98-Y148 VanDerWaalsContact O-CD2 3.29Å; C98-Y148 WeakPolarHBondContact O-CD2 3.28Å; F101-Y148 HydrophobicContact CB-CD1 3.72Å; F101-Y148 HydrophobicContact CB-CD2 4.03Å; F101-Y148 HydrophobicContact CB-CE1 3.46Å; F101-Y148 VanDerWaalsContact CB-CE1 3.46Å; F101-Y148 HydrophobicContact CB-CE2 3.77Å; F101-Y148 HydrophobicContact CB-CG 4.02Å; F101-Y148 VanDerWaalsContact CB-CZ 3.49Å; F101-Y148 AromaticContact CD1-CD1 3.83Å; F101-Y148 HydrophobicContact CD1-CD1 3.83Å; F101-Y148 HydrophobicContact CD1-CE1 4.04Å; F101-Y148 AromaticContact CD2-CD1 3.68Å; F101-Y148 HydrophobicContact CD2-CD1 3.68Å; F101-Y148 HydrophobicContact CD2-CD2 4.09Å; F101-Y148 HydrophobicContact CD2-CE1 4.34Å; F101-Y148 AromaticContact CD2-CG 3.56Å; F101-Y148 HydrophobicContact CD2-CG 3.56Å; F101-Y148 HydrophobicContact CE1-CD1 4.34Å; F101-Y148 HydrophobicContact CE2-CD1 4.2Å; F101-Y148 HydrophobicContact CE2-CG 4.11Å; F101-Y148 AromaticContact CG-CD1 3.47Å; F101-Y148 HydrophobicContact CG-CD1 3.47Å; F101-Y148 VanDerWaalsContact CG-CD1 3.47Å; F101-Y148 HydrophobicContact CG-CD2 4.29Å; F101-Y148 AromaticContact CG-CE1 3.72Å; F101-Y148 HydrophobicContact CG-CE1 3.72Å; F101-Y148 HydrophobicContact CG-CE2 4.46Å; F101-Y148 AromaticContact CG-CG 3.81Å; F101-Y148 HydrophobicContact CG-CG 3.81Å; E102-Y148 HydrophobicContact CG-CE2 3.82Å; E102-Y148 WeakPolarHBondContact CG-OH 3.4Å; E102-Y148 PolarHBondContact OE1-OH 3.45Å; E106-Y148 HydrophobicContact CG-CE1 3.87Å; E106-Y148 PolarHBondContact OE2-OH 2.86Å; T144-Y148 HydrophobicContact CG2-CD2 3.68Å; T144-Y148 HydrophobicContact CG2-CE2 3.74Å; T144-Y148 WeakPolarHBondContact O-CD2 3.43Å; T144-Y148 PolarHBondContact O-N 3.49Å; T144-Y148 VanDerWaalsContact O-N 3.13Å; Q145-Y148 PolarHBondContact O-N 3.33Å; L146-Y148 PolarHBondContact O-N 2.87Å; Y148-K151 HydrophobicContact CD1-CB 4.39Å; Y148-K151 HydrophobicContact CD1-CD 3.92Å; Y148-K151 HydrophobicContact CE1-CD 4.2Å; Y148-Q152 VanDerWaalsContact O-CG 3.3Å; Y148-Q152 WeakPolarHBondContact O-CG 3.47Å; Y148-Q152 PolarHBondContact O-N 2.94Å; Y148-Q152 PolarHBondContact O-NE2 3.34Å
149F98.9Very high98.3Very high0 Ų041.9 Ų41.90%020%0.201CC..Hα-helixtrans-65-51.9160.9174.2-145.5000110.1L132 Q145 K151 Q152 F153 M163 L165 F174 I177 M178L132-F149 HydrophobicContact CD1-CD1 4.28Å; L132-F149 HydrophobicContact CD2-CB 4.08Å; L132-F149 HydrophobicContact CD2-CD1 4.02Å; L132-F149 HydrophobicContact CD2-CG 4.44Å; L132-F149 HydrophobicContact CG-CD1 3.81Å; L132-F149 HydrophobicContact CG-CE1 4.41Å; Q145-F149 WeakPolarHBondContact O-CB 3.36Å; Q145-F149 PolarHBondContact O-N 3.02Å; F149-K151 VanDerWaalsContact C-N 3.3Å; F149-K151 PolarHBondContact O-N 2.69Å; F149-Q152 PolarHBondContact O-N 3.23Å; F149-Q152 VanDerWaalsContact O-N 3.07Å; F149-F153 HydrophobicContact CD2-CE2 4.1Å; F149-F153 HydrophobicContact CE1-CE2 4.47Å; F149-F153 AromaticContact CE2-CE2 3.63Å; F149-F153 HydrophobicContact CE2-CE2 3.63Å; F149-F153 HydrophobicContact CE2-CZ 4.05Å; F149-F153 AromaticContact CZ-CE2 3.84Å; F149-F153 HydrophobicContact CZ-CE2 3.84Å; F149-F153 AromaticContact CZ-CZ 3.99Å; F149-F153 HydrophobicContact CZ-CZ 3.99Å; F149-M163 HydrophobicContact CE2-CE 4.46Å; F149-L165 HydrophobicContact CE2-CD2 3.8Å; F149-L165 HydrophobicContact CZ-CD2 4.17Å; F149-F174 AromaticContact CE1-CD2 3.71Å; F149-F174 HydrophobicContact CE1-CD2 3.71Å; F149-F174 HydrophobicContact CE1-CE2 4.03Å; F149-F174 HydrophobicContact CE1-CG 4.49Å; F149-F174 HydrophobicContact CE2-CE2 4.49Å; F149-F174 AromaticContact CZ-CD2 3.84Å; F149-F174 HydrophobicContact CZ-CD2 3.84Å; F149-F174 AromaticContact CZ-CE2 3.65Å; F149-F174 HydrophobicContact CZ-CE2 3.65Å; F149-F174 HydrophobicContact CZ-CZ 4.48Å; F149-I177 HydrophobicContact CD1-CB 4.1Å; F149-I177 HydrophobicContact CD1-CD1 3.65Å; F149-I177 HydrophobicContact CD1-CG1 4.47Å; F149-I177 HydrophobicContact CD1-CG2 3.7Å; F149-I177 HydrophobicContact CE1-CB 3.82Å; F149-I177 HydrophobicContact CE1-CD1 4.21Å; F149-I177 HydrophobicContact CE1-CG2 3.53Å; F149-I177 HydrophobicContact CG-CG2 4.42Å; F149-I177 HydrophobicContact CZ-CG2 4.13Å; F149-M178 HydrophobicContact CZ-CG 4.33Å; F149-M178 HydrophobicContact CZ-SD 3.79Å
150E98.8Very high98.2Very high53 Ų5342.1 Ų42.125%0.24820%0.202CC..Hα-helixtrans-62.9-35.6-179.3-175.5153.7-157.500112.5L146 Q152 F153 I177 R180 N181L146-E150 PolarHBondContact O-N 3.1Å; L146-E150 VanDerWaalsContact O-N 3.14Å; E150-Q152 VanDerWaalsContact C-N 3.28Å; E150-Q152 PolarHBondContact O-N 3.17Å; E150-F153 WeakPolarHBondContact O-CD2 3.38Å; E150-F153 PolarHBondContact O-N 3.04Å; E150-I177 HydrophobicContact CB-CG2 4.07Å; E150-I177 HydrophobicContact CG-CG2 4.39Å; E150-R180 IonicContact OE1-CZ 3.73Å; E150-R180 VanDerWaalsContact OE1-CZ 3.31Å; E150-R180 IonicContact OE1-NH1 2.76Å; E150-R180 PolarHBondContact OE1-NH1 3.24Å; E150-R180 IonicContact OE1-NH2 2.66Å; E150-R180 PolarHBondContact OE1-NH2 2.89Å; E150-R180 IonicContact OE2-CZ 3.44Å; E150-R180 IonicContact OE2-NH1 3.3Å; E150-R180 PolarHBondContact OE2-NH1 2.88Å; E150-R180 IonicContact OE2-NH2 3.29Å; E150-R180 PolarHBondContact OE2-NH2 3.48Å; E150-N181 PolarHBondContact OE1-ND2 3.29Å
151K98.6Very high98.2Very high44 Ų4443.9 Ų43.919%0.19121%0.211CC..Hα-helixtrans-61.6-31.3174.2-166.1-179.8-176.8770113.5F101 E106 F110 K147 Y148 F149 F153 D154F101-K151 HydrophobicContact CD1-CD 4.38Å; F101-K151 HydrophobicContact CE1-CD 4.15Å; E106-K151 HydrophobicContact CG-CD 4.12Å; E106-K151 VanDerWaalsContact OE1-CE 3.31Å; E106-K151 WeakPolarHBondContact OE1-CE 3.4Å; E106-K151 IonicContact OE1-NZ 3.39Å; E106-K151 PolarHBondContact OE1-NZ 3.47Å; F110-K151 HydrophobicContact CD2-CD 4.24Å; F110-K151 HydrophobicContact CD2-CG 4.2Å; F110-K151 HydrophobicContact CE2-CG 4.34Å; K147-K151 PolarHBondContact O-N 2.72Å; Y148-K151 HydrophobicContact CD1-CB 4.39Å; Y148-K151 HydrophobicContact CD1-CD 3.92Å; Y148-K151 HydrophobicContact CE1-CD 4.2Å; F149-K151 VanDerWaalsContact C-N 3.3Å; F149-K151 PolarHBondContact O-N 2.69Å; K151-F153 PolarHBondContact O-N 3.37Å; K151-D154 VanDerWaalsContact O-CB 3.27Å; K151-D154 WeakPolarHBondContact O-CB 3.46Å; K151-D154 VanDerWaalsContact O-CG 3.27Å; K151-D154 PolarHBondContact O-N 3.46Å; K151-D154 VanDerWaalsContact O-N 3.08Å
152Q98.8Very high98.2Very high0 Ų041.1 Ų41.10%019%0.193CC..THydrogen-bonded Turntrans-72.7-10.5-177.2-74.7176.788.100113.6C93 F101 C130 Y148 F149 E150 D154 L155 A156C93-Q152 PolarHBondContact O-NE2 3.38Å; C93-Q152 PolarHBondContact O-OE1 2.91Å; F101-Q152 HydrophobicContact CZ-CG 4.33Å; C130-Q152 HydrophobicContact CB-CB 4.47Å; C130-Q152 VanDerWaalsContact CB-CD 3.47Å; C130-Q152 VanDerWaalsContact CB-OE1 3.25Å; Y148-Q152 VanDerWaalsContact O-CG 3.3Å; Y148-Q152 WeakPolarHBondContact O-CG 3.47Å; Y148-Q152 PolarHBondContact O-N 2.94Å; Y148-Q152 PolarHBondContact O-NE2 3.34Å; F149-Q152 PolarHBondContact O-N 3.23Å; F149-Q152 VanDerWaalsContact O-N 3.07Å; E150-Q152 VanDerWaalsContact C-N 3.28Å; E150-Q152 PolarHBondContact O-N 3.17Å; Q152-D154 PolarHBondContact O-N 2.89Å; Q152-L155 HydrophobicContact CG-CD1 4.28Å; Q152-L155 WeakPolarHBondContact O-CB 3.26Å; Q152-L155 PolarHBondContact O-N 2.98Å; Q152-L155 VanDerWaalsContact O-N 3.12Å; Q152-A156 PolarHBondContact O-N 2.81Å
153F98.8Very high98.2Very high0 Ų037.9 Ų37.90%018%0.179CC..Hα-helixtrans-65.9-25.2167.6-72.4-97.5000112.4F149 E150 K151 L155 A156 E157 M163 I177 M178 N181 R184F149-F153 HydrophobicContact CD2-CE2 4.1Å; F149-F153 HydrophobicContact CE1-CE2 4.47Å; F149-F153 AromaticContact CE2-CE2 3.63Å; F149-F153 HydrophobicContact CE2-CE2 3.63Å; F149-F153 HydrophobicContact CE2-CZ 4.05Å; F149-F153 AromaticContact CZ-CE2 3.84Å; F149-F153 HydrophobicContact CZ-CE2 3.84Å; F149-F153 AromaticContact CZ-CZ 3.99Å; F149-F153 HydrophobicContact CZ-CZ 3.99Å; E150-F153 WeakPolarHBondContact O-CD2 3.38Å; E150-F153 PolarHBondContact O-N 3.04Å; K151-F153 PolarHBondContact O-N 3.37Å; F153-L155 PolarHBondContact O-N 3.25Å; F153-A156 PolarHBondContact O-N 3.17Å; F153-E157 VanDerWaalsContact O-CB 3.23Å; F153-E157 WeakPolarHBondContact O-CB 3.12Å; F153-E157 PolarHBondContact O-N 3.16Å; F153-M163 HydrophobicContact CD1-CE 4.2Å; F153-M163 HydrophobicContact CD1-SD 3.82Å; F153-M163 HydrophobicContact CD2-CE 4.28Å; F153-M163 HydrophobicContact CE1-CE 4.14Å; F153-M163 HydrophobicContact CE1-SD 3.66Å; F153-M163 HydrophobicContact CE2-CE 4.21Å; F153-M163 HydrophobicContact CG-CE 4.31Å; F153-M163 HydrophobicContact CG-SD 4.49Å; F153-M163 HydrophobicContact CZ-CE 4.16Å; F153-M163 HydrophobicContact CZ-SD 4.19Å; F153-I177 HydrophobicContact CE2-CG2 3.64Å; F153-I177 HydrophobicContact CZ-CG2 4.16Å; F153-M178 HydrophobicContact CE1-CE 3.96Å; F153-M178 HydrophobicContact CE1-SD 4.06Å; F153-M178 HydrophobicContact CZ-CE 4.04Å; F153-M178 HydrophobicContact CZ-SD 3.51Å; F153-M178 VanDerWaalsContact CZ-SD 3.51Å; F153-N181 HydrophobicContact CB-CB 4.26Å; F153-N181 HydrophobicContact CD1-CB 3.35Å; F153-N181 HydrophobicContact CD2-CB 4.02Å; F153-N181 HydrophobicContact CE1-CB 3.47Å; F153-N181 VanDerWaalsContact CE1-CB 3.47Å; F153-N181 HydrophobicContact CE2-CB 4.14Å; F153-N181 HydrophobicContact CG-CB 3.6Å; F153-N181 HydrophobicContact CZ-CB 3.85Å; F153-R184 HydrophobicContact CB-CB 4.41Å; F153-R184 HydrophobicContact CD1-CB 4.43Å
154D98.4Very high98.3Very high50 Ų5031.3 Ų31.327%0.26715%0.148SC..Hα-helixtrans-59.6-39.3171-58.9-7.5000110.2F110 K151 Q152 E158 R184F110-D154 HydrophobicContact CE2-CB 3.73Å; F110-D154 HydrophobicContact CZ-CB 3.46Å; F110-D154 VanDerWaalsContact CZ-CB 3.46Å; K151-D154 VanDerWaalsContact O-CB 3.27Å; K151-D154 WeakPolarHBondContact O-CB 3.46Å; K151-D154 VanDerWaalsContact O-CG 3.27Å; K151-D154 PolarHBondContact O-N 3.46Å; K151-D154 VanDerWaalsContact O-N 3.08Å; Q152-D154 PolarHBondContact O-N 2.89Å; D154-E158 WeakPolarHBondContact O-CB 3.39Å; D154-E158 VanDerWaalsContact O-CG 3.3Å; D154-E158 WeakPolarHBondContact O-CG 3.38Å; D154-E158 PolarHBondContact O-N 3.4Å; D154-E158 VanDerWaalsContact O-N 3.11Å; D154-R184 IonicContact OD1-CZ 3.78Å; D154-R184 IonicContact OD1-NH1 3.45Å; D154-R184 IonicContact OD1-NH2 2.65Å; D154-R184 PolarHBondContact OD1-NH2 2.82Å
155L97.9Very high98.3Very high0 Ų030.5 Ų30.50%014%0.143CC..Hα-helixtrans-67.8-46.2176.1-63.7173.4000111.4F110 L113 K114 I127 Q152 F153 E157 E158 T159F110-L155 HydrophobicContact CD2-CD2 4.35Å; F110-L155 HydrophobicContact CD2-CG 4.37Å; F110-L155 HydrophobicContact CE1-CD2 4.21Å; F110-L155 HydrophobicContact CE2-CD1 4.44Å; F110-L155 HydrophobicContact CE2-CD2 3.75Å; F110-L155 HydrophobicContact CE2-CG 3.64Å; F110-L155 HydrophobicContact CZ-CD2 3.65Å; F110-L155 HydrophobicContact CZ-CG 3.95Å; L113-L155 HydrophobicContact CB-CD1 3.93Å; L113-L155 HydrophobicContact CB-CD2 4.39Å; L113-L155 HydrophobicContact CD1-CD1 4.1Å; K114-L155 HydrophobicContact CB-CD2 3.69Å; K114-L155 HydrophobicContact CG-CD2 4.48Å; I127-L155 HydrophobicContact CD1-CB 4.15Å; I127-L155 HydrophobicContact CG1-CB 4.19Å; I127-L155 HydrophobicContact CG2-CB 3.92Å; I127-L155 HydrophobicContact CG2-CD1 4.29Å; Q152-L155 HydrophobicContact CG-CD1 4.28Å; Q152-L155 WeakPolarHBondContact O-CB 3.26Å; Q152-L155 PolarHBondContact O-N 2.98Å; Q152-L155 VanDerWaalsContact O-N 3.12Å; F153-L155 PolarHBondContact O-N 3.25Å; L155-E157 VanDerWaalsContact C-N 3.3Å; L155-E157 PolarHBondContact O-N 2.99Å; L155-E158 PolarHBondContact O-N 3.39Å; L155-T159 VanDerWaalsContact O-CB 3.31Å; L155-T159 WeakPolarHBondContact O-CB 3.5Å; L155-T159 VanDerWaalsContact O-CG2 3.28Å; L155-T159 WeakPolarHBondContact O-CG2 3.41Å; L155-T159 PolarHBondContact O-N 3.12Å; L155-T159 PolarHBondContact O-OG1 3Å
156A97.9Very high98.3Very high0 Ų031.2 Ų31.20%015%0.147CC..Hα-helixtrans-61.2-42.117900000111.3I127 Q152 F153 K160 M163 C185I127-A156 HydrophobicContact CG1-CB 4.45Å; Q152-A156 PolarHBondContact O-N 2.81Å; F153-A156 PolarHBondContact O-N 3.17Å; A156-K160 WeakPolarHBondContact O-CA 3.43Å; A156-K160 PolarHBondContact O-N 2.62Å; A156-M163 HydrophobicContact CB-CE 4.41Å; A156-M163 HydrophobicContact CB-CG 3.79Å; A156-M163 HydrophobicContact CB-SD 3.89Å; A156-C185 HydrophobicContact CB-CB 4.1Å
157E97.9Very high98.3Very high76 Ų7629.9 Ų29.936%0.35514%0.14SC..Hα-helixtrans-66-42-179.5-175.4167.1-156.600112.3F153 L155 K160 R184F153-E157 VanDerWaalsContact O-CB 3.23Å; F153-E157 WeakPolarHBondContact O-CB 3.12Å; F153-E157 PolarHBondContact O-N 3.16Å; L155-E157 VanDerWaalsContact C-N 3.3Å; L155-E157 PolarHBondContact O-N 2.99Å; E157-K160 WeakPolarHBondContact O-CD 3.26Å; E157-K160 WeakPolarHBondContact O-CE 3.4Å; E157-K160 PolarHBondContact O-NZ 2.92Å; E157-R184 WeakPolarHBondContact CA-O 3.4Å; E157-R184 HydrophobicContact CB-CB 4.28Å; E157-R184 WeakPolarHBondContact CB-O 3.29Å; E157-R184 PolarHBondContact N-O 3.37Å; E157-R184 IonicContact OE2-CZ 3.9Å; E157-R184 IonicContact OE2-NE 3.56Å; E157-R184 PolarHBondContact OE2-NE 3.29Å; E157-R184 IonicContact OE2-NH2 3.98Å; E157-R184 PolarHBondContact OE2-NH2 3.19Å
158E95.9Very high98.2Very high92 Ų9226.8 Ų26.843%0.4313%0.126SC..Hα-helixtrans-78.1-39.6-179.4-71-177.9165.500113.1K114 D154 L155K114-E158 WeakPolarHBondContact CD-OE2 3.37Å; K114-E158 WeakPolarHBondContact CE-OE2 3.42Å; K114-E158 IonicContact NZ-OE1 3.06Å; K114-E158 PolarHBondContact NZ-OE1 3.48Å; K114-E158 IonicContact NZ-OE2 2.64Å; K114-E158 PolarHBondContact NZ-OE2 3.13Å; D154-E158 WeakPolarHBondContact O-CB 3.39Å; D154-E158 VanDerWaalsContact O-CG 3.3Å; D154-E158 WeakPolarHBondContact O-CG 3.38Å; D154-E158 PolarHBondContact O-N 3.4Å; D154-E158 VanDerWaalsContact O-N 3.11Å; L155-E158 PolarHBondContact O-N 3.39Å
159T96.1Very high98.1Very high14 Ų1431.6 Ų31.69%0.08615%0.152CC..Hα-helixtrans-80.4-23.1-177.261.10000112.7A117 I127 L155 L161A117-T159 HydrophobicContact CB-CG2 4.13Å; I127-T159 HydrophobicContact CD1-CG2 4.19Å; L155-T159 VanDerWaalsContact O-CB 3.31Å; L155-T159 WeakPolarHBondContact O-CB 3.5Å; L155-T159 VanDerWaalsContact O-CG2 3.28Å; L155-T159 WeakPolarHBondContact O-CG2 3.41Å; L155-T159 PolarHBondContact O-N 3.12Å; L155-T159 PolarHBondContact O-OG1 3Å; T159-L161 PolarHBondContact O-N 3.46Å; T159-L161 PolarHBondContact OG1-N 3.37Å
160K97.1Very high98Very high132 Ų13231.6 Ų31.657%0.57415%0.152SC*.  trans57.723.2-171-52.5-59-177.8-162.10113.1A156 E157 V186A156-K160 WeakPolarHBondContact O-CA 3.43Å; A156-K160 PolarHBondContact O-N 2.62Å; E157-K160 WeakPolarHBondContact O-CD 3.26Å; E157-K160 WeakPolarHBondContact O-CE 3.4Å; E157-K160 PolarHBondContact O-NZ 2.92Å; K160-V186 HydrophobicContact CB-CG1 4.32Å; K160-V186 HydrophobicContact CD-CG1 4.45Å; K160-V186 WeakPolarHBondContact O-CG2 3.43Å
161L97.8Very high98Very high37 Ų3730.7 Ų30.719%0.19415%0.148CC..PPolyproline II helixtrans-84.2146.7172.2-67.8173.9000110.1V124 I127 T159V124-L161 HydrophobicContact CG1-CD1 3.89Å; I127-L161 HydrophobicContact CD1-CD1 4.1Å; I127-L161 HydrophobicContact CG1-CB 4.16Å; T159-L161 PolarHBondContact O-N 3.46Å; T159-L161 PolarHBondContact OG1-N 3.37Å
162P98.6Very high97.9Very high10 Ų1034.4 Ų34.47%0.06517%0.165CC..PPolyproline II helixtrans-63.7160.7169.831.1-38.8000111.1V125 A126 I127 V186 G187 V309 F310V125-P162 WeakPolarHBondContact O-CD 3.47Å; V125-P162 WeakPolarHBondContact O-CG 3.16Å; A126-P162 CarbonylContact C-O 3.23Å; A126-P162 WeakPolarHBondContact CA-O 3.31Å; A126-P162 WeakPolarHBondContact CB-O 3.41Å; I127-P162 PolarHBondContact N-O 2.94Å; P162-V186 HydrophobicContact CB-CG2 4.31Å; P162-G187 WeakPolarHBondContact CA-O 3.4Å; P162-V309 HydrophobicContact CB-CG1 3.75Å; P162-V309 HydrophobicContact CG-CG1 4.14Å; P162-F310 HydrophobicContact CB-CD1 4.15Å; P162-F310 HydrophobicContact CB-CE1 3.87Å; P162-F310 HydrophobicContact CG-CD1 3.31Å; P162-F310 HydrophobicContact CG-CE1 3.49Å; P162-F310 VanDerWaalsContact CG-CE1 3.49Å; P162-F310 HydrophobicContact CG-CG 4.35Å
163M98.9Very high97.9Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-98.2143.4179.9-60.3-178.281.500112.6I127 F149 F153 A156 L165 C185 G187 G188 V189I127-M163 CarbonylContact O-C 3.53Å; I127-M163 VanDerWaalsContact O-CA 3.27Å; I127-M163 WeakPolarHBondContact O-CA 3.16Å; F149-M163 HydrophobicContact CE2-CE 4.46Å; F153-M163 HydrophobicContact CD1-CE 4.2Å; F153-M163 HydrophobicContact CD1-SD 3.82Å; F153-M163 HydrophobicContact CD2-CE 4.28Å; F153-M163 HydrophobicContact CE1-CE 4.14Å; F153-M163 HydrophobicContact CE1-SD 3.66Å; F153-M163 HydrophobicContact CE2-CE 4.21Å; F153-M163 HydrophobicContact CG-CE 4.31Å; F153-M163 HydrophobicContact CG-SD 4.49Å; F153-M163 HydrophobicContact CZ-CE 4.16Å; F153-M163 HydrophobicContact CZ-SD 4.19Å; A156-M163 HydrophobicContact CB-CE 4.41Å; A156-M163 HydrophobicContact CB-CG 3.79Å; A156-M163 HydrophobicContact CB-SD 3.89Å; M163-L165 HydrophobicContact CB-CD1 4.16Å; M163-L165 HydrophobicContact CB-CD2 3.78Å; M163-L165 HydrophobicContact CB-CG 3.79Å; M163-L165 HydrophobicContact CE-CD2 3.79Å; M163-L165 HydrophobicContact SD-CD2 4.16Å; M163-C185 HydrophobicContact CG-CB 3.96Å; M163-C185 HydrophobicContact SD-CB 3.6Å; M163-G187 PolarHBondContact N-O 3.37Å; M163-G188 CarbonylContact O-C 3.59Å; M163-G188 WeakPolarHBondContact O-CA 3.45Å; M163-V189 PolarHBondContact O-N 3.45Å
164F98.9Very high97.9Very high1 Ų137.1 Ų37.10%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-109.3101.9170.8-172.7-99.1000108.5I26 M65 T67 T90 A126 I127 E129 C130 V189 H191I26-F164 HydrophobicContact CB-CE2 4.47Å; I26-F164 HydrophobicContact CD1-CE2 4.21Å; I26-F164 HydrophobicContact CG1-CE2 4.3Å; I26-F164 WeakPolarHBondContact O-CE2 3.3Å; M65-F164 HydrophobicContact CE-CD2 4.37Å; T67-F164 HydrophobicContact CG2-CD1 4.35Å; T67-F164 HydrophobicContact CG2-CE1 3.89Å; T90-F164 HydrophobicContact CG2-CB 4.19Å; T90-F164 HydrophobicContact CG2-CD1 4.38Å; T90-F164 HydrophobicContact CG2-CG 4.21Å; A126-F164 HydrophobicContact CB-CB 4.06Å; I127-F164 PolarHBondContact O-N 2.85Å; E129-F164 HydrophobicContact CB-CD1 3.98Å; E129-F164 HydrophobicContact CB-CE1 4.31Å; E129-F164 HydrophobicContact CG-CD1 4.04Å; E129-F164 HydrophobicContact CG-CE1 4.14Å; C130-F164 PolarHBondContact N-O 2.84Å; F164-V189 HydrophobicContact CD2-CG1 3.6Å; F164-V189 HydrophobicContact CE2-CG1 4.09Å; F164-H191 AromaticContact CD1-CD2 3.74Å; F164-H191 HydrophobicContact CD2-CB 4.17Å; F164-H191 HydrophobicContact CE1-CB 4.02Å; F164-H191 AromaticContact CE1-CD2 3.29Å; F164-H191 WeakPolarHBondContact CE1-CD2 3.2Å; F164-H191 AromaticContact CE1-CE1 3.97Å; F164-H191 AromaticContact CE1-CG 3.48Å; F164-H191 VanDerWaalsContact CE1-CG 3.48Å; F164-H191 AromaticContact CE1-ND1 3.92Å; F164-H191 AromaticContact CE1-NE2 3.66Å; F164-H191 HydrophobicContact CE2-CB 3.47Å; F164-H191 VanDerWaalsContact CE2-CB 3.47Å; F164-H191 AromaticContact CE2-CG 3.9Å; F164-H191 HydrophobicContact CZ-CB 3.37Å; F164-H191 AromaticContact CZ-CD2 3.61Å; F164-H191 AromaticContact CZ-CG 3.27Å; F164-H191 AromaticContact CZ-ND1 3.71Å
165L98.9Very high97.9Very high0 Ų035.3 Ų35.30%017%0.168CC..EExtended strand (participates in β ladder)trans-108.9131.5-158.2-61.7161.5000112.7C130 F149 M163 F174 M178 V189 V190 H191 L208C130-L165 CarbonylContact O-C 3.54Å; C130-L165 VanDerWaalsContact O-CA 3.27Å; C130-L165 WeakPolarHBondContact O-CA 3.49Å; F149-L165 HydrophobicContact CE2-CD2 3.8Å; F149-L165 HydrophobicContact CZ-CD2 4.17Å; M163-L165 HydrophobicContact CB-CD1 4.16Å; M163-L165 HydrophobicContact CB-CD2 3.78Å; M163-L165 HydrophobicContact CB-CG 3.79Å; M163-L165 HydrophobicContact CE-CD2 3.79Å; M163-L165 HydrophobicContact SD-CD2 4.16Å; L165-F174 HydrophobicContact CB-CE2 4.03Å; L165-F174 HydrophobicContact CB-CZ 3.83Å; L165-F174 HydrophobicContact CD1-CZ 4.03Å; L165-F174 HydrophobicContact CD2-CE2 4.4Å; L165-F174 HydrophobicContact CD2-CZ 4.46Å; L165-F174 HydrophobicContact CG-CZ 4.33Å; L165-M178 HydrophobicContact CD1-CE 4Å; L165-M178 HydrophobicContact CD1-SD 3.78Å; L165-M178 HydrophobicContact CD2-SD 4.03Å; L165-V189 WeakPolarHBondContact CB-O 3.48Å; L165-V189 PolarHBondContact N-O 2.91Å; L165-V190 HydrophobicContact CB-CG2 4.36Å; L165-V190 HydrophobicContact CD1-CG2 4.36Å; L165-V190 WeakPolarHBondContact O-CA 3.48Å; L165-H191 VanDerWaalsContact C-CD2 3.49Å; L165-H191 PolarHBondContact O-CD2 3Å; L165-H191 PolarHBondContact O-N 3.47Å; L165-L208 HydrophobicContact CD1-CD1 4.29Å; L165-L208 HydrophobicContact CD1-CD2 4.48Å
166H98.9Very high98Very high16 Ų1638.5 Ų38.57%0.07419%0.185CC..EExtended strand (participates in β ladder)trans-100.5134.4176.4-172.1107000111.4H94 P95 E129 C130 G131 L132 D133 R168 H191H94-H166 AromaticContact NE2-CE1 3.5Å; H94-H166 PolarHBondContact NE2-CE1 2.73Å; H94-H166 AromaticContact NE2-CG 3.78Å; H94-H166 AromaticContact NE2-ND1 3.29Å; H94-H166 PolarHBondContact NE2-ND1 3.43Å; P95-H166 HydrophobicContact CG-CB 4.45Å; E129-H166 HydrophobicContact CG-CB 3.96Å; E129-H166 IonicContact OE1-CE1 3.94Å; E129-H166 IonicContact OE1-CG 3.53Å; E129-H166 IonicContact OE1-ND1 2.82Å; E129-H166 PolarHBondContact OE1-ND1 3.46Å; C130-H166 PolarHBondContact O-N 3.42Å; G131-H166 CarbonylContact C-O 3.39Å; G131-H166 VanDerWaalsContact CA-O 3.25Å; G131-H166 WeakPolarHBondContact CA-O 3.45Å; L132-H166 PolarHBondContact N-O 3.03Å; L132-H166 PolarHBondContact O-CD2 2.98Å; D133-H166 IonicContact OD2-NE2 2.84Å; H166-R168 WeakPolarHBondContact NE2-CG 3.44Å; H166-H191 AromaticContact ND1-CE1 3.97Å; H166-H191 AromaticContact ND1-NE2 3.64Å
167C98.7Very high98Very high4 Ų438.7 Ų38.73%0.02719%0.186CC..EExtended strand (participates in β ladder)trans-143.6117.3173.2-1780000110.6L132 S170 H171 F174 V190L132-C167 WeakPolarHBondContact O-CA 3.32Å; C167-S170 PolarHBondContact SG-OG 2.86Å; C167-H171 PolarHBondContact SG-CD2 3.11Å; C167-F174 HydrophobicContact CB-CD1 4.4Å; C167-F174 HydrophobicContact CB-CD2 3.99Å; C167-F174 HydrophobicContact CB-CE2 4.24Å; C167-F174 HydrophobicContact CB-CG 4.08Å; C167-V190 HydrophobicContact CB-CG1 4.07Å
168R98Very high98Very high32 Ų3235.1 Ų35.112%0.12117%0.17CC..EExtended strand (participates in β ladder)trans-137.2119.4174.9-76.4-67.7-172.8-107.3-5.8111L132 D133 F134 H166 S170 S192 D194L132-R168 PolarHBondContact O-N 2.82Å; D133-R168 HydrophobicContact CB-CB 4.29Å; F134-R168 PolarHBondContact N-O 3.06Å; H166-R168 WeakPolarHBondContact NE2-CG 3.44Å; R168-S170 PolarHBondContact N-OG 2.64Å; R168-S170 WeakPolarHBondContact O-CB 3.31Å; R168-S170 PolarHBondContact O-N 3.03Å; R168-S170 VanDerWaalsContact O-N 3.1Å; R168-S170 PolarHBondContact O-OG 3Å; R168-S192 PolarHBondContact NH1-O 2.92Å; R168-S192 PolarHBondContact NH2-O 3.08Å; R168-S192 PolarHBondContact NH2-OG 3.07Å; R168-D194 WeakPolarHBondContact CD-OD1 3.08Å; R168-D194 WeakPolarHBondContact CD-OD2 3.47Å; R168-D194 IonicContact CZ-OD1 3.32Å; R168-D194 IonicContact CZ-OD2 3.75Å; R168-D194 VanDerWaalsContact CZ-OD2 3.28Å; R168-D194 IonicContact NE-OD1 3.75Å; R168-D194 IonicContact NE-OD2 3.62Å; R168-D194 PolarHBondContact NE-OD2 2.64Å; R168-D194 IonicContact NH1-OD1 2.69Å; R168-D194 PolarHBondContact NH1-OD1 2.85Å; R168-D194 IonicContact NH1-OD2 3.64Å; R168-D194 PolarHBondContact NH1-OD2 2.99Å
169N96.3Very high98.1Very high102 Ų10236.5 Ų36.555%0.54517%0.174SC..SBendtrans51.832.3179.1-165.920000113.6F134 D135F134-N169 HydrophobicContact CB-CB 4.39Å; F134-N169 WeakPolarHBondContact CB-O 3.38Å; F134-N169 WeakPolarHBondContact CD2-O 3.49Å; D135-N169 VanDerWaalsContact OD1-CB 3.27Å; D135-N169 WeakPolarHBondContact OD1-CB 3.34Å; D135-N169 PolarHBondContact OD1-ND2 3.04Å
170S97.8Very high98.3Very high1 Ų143.1 Ų43.11%0.00720%0.198CC..  trans-143.721-167.7610000113L132 C167 R168 Q172 E173 F174L132-S170 VanDerWaalsContact CB-OG 3.28Å; L132-S170 WeakPolarHBondContact CB-OG 3.5Å; L132-S170 PolarHBondContact O-OG 3.23Å; L132-S170 VanDerWaalsContact O-OG 3.1Å; C167-S170 PolarHBondContact SG-OG 2.86Å; R168-S170 PolarHBondContact N-OG 2.64Å; R168-S170 WeakPolarHBondContact O-CB 3.31Å; R168-S170 PolarHBondContact O-N 3.03Å; R168-S170 VanDerWaalsContact O-N 3.1Å; R168-S170 PolarHBondContact O-OG 3Å; S170-Q172 PolarHBondContact O-N 3.01Å; S170-E173 PolarHBondContact O-N 3.4Å; S170-F174 WeakPolarHBondContact O-CB 3.49Å; S170-F174 PolarHBondContact O-N 2.89Å
171H97Very high98.3Very high34 Ų3437.1 Ų37.116%0.15717%0.172CC..Hα-helixtrans-58.2-43-167.9-63.798.7000113.4C167 F174 I175 D199C167-H171 PolarHBondContact SG-CD2 3.11Å; H171-F174 PolarHBondContact O-N 3.33Å; H171-I175 WeakPolarHBondContact O-CB 3.49Å; H171-I175 VanDerWaalsContact O-CG1 3.22Å; H171-I175 WeakPolarHBondContact O-CG1 3.24Å; H171-I175 PolarHBondContact O-N 3.42Å; H171-D199 VanDerWaalsContact CB-OD1 3.29Å; H171-D199 WeakPolarHBondContact CB-OD1 3.39Å; H171-D199 VanDerWaalsContact CD2-CG 3.45Å; H171-D199 IonicContact CD2-OD1 3.87Å; H171-D199 IonicContact CD2-OD2 3.71Å; H171-D199 IonicContact CE1-OD2 3.69Å; H171-D199 VanDerWaalsContact CG-CG 3.47Å; H171-D199 IonicContact CG-OD1 3.79Å; H171-D199 IonicContact CG-OD2 3.38Å; H171-D199 IonicContact ND1-OD1 2.69Å; H171-D199 IonicContact ND1-OD2 3.97Å; H171-D199 IonicContact NE2-OD2 3.23Å
172Q97.5Very high98.3Very high121 Ų12137.4 Ų37.457%0.56517%0.17SC*.Hα-helixtrans-61.3-55.2-178.1-178.758.858.400111.2S170 F174 I175 D176S170-Q172 PolarHBondContact O-N 3.01Å; Q172-F174 VanDerWaalsContact C-N 3.31Å; Q172-F174 PolarHBondContact O-N 3.42Å; Q172-I175 PolarHBondContact O-N 3.08Å; Q172-D176 VanDerWaalsContact NE2-CG 3.3Å; Q172-D176 PolarHBondContact NE2-OD1 3.46Å; Q172-D176 VanDerWaalsContact NE2-OD1 3.11Å; Q172-D176 PolarHBondContact NE2-OD2 2.82Å; Q172-D176 VanDerWaalsContact O-CG 3.23Å; Q172-D176 PolarHBondContact O-N 2.74Å
173E98.8Very high98.3Very high56 Ų5644.8 Ų44.826%0.26221%0.209SC..Hα-helixtrans-65.5-35.5179.7-6885.6161.600112.4L132 F134 K142 L146 S170 D176 I177L132-E173 HydrophobicContact CD1-CB 3.79Å; F134-E173 HydrophobicContact CE2-CB 4.39Å; F134-E173 HydrophobicContact CE2-CG 4.22Å; F134-E173 HydrophobicContact CZ-CB 4.13Å; F134-E173 HydrophobicContact CZ-CG 4.18Å; K142-E173 WeakPolarHBondContact CE-OE1 3.46Å; K142-E173 IonicContact NZ-OE1 3.25Å; K142-E173 PolarHBondContact NZ-OE1 2.96Å; L146-E173 HydrophobicContact CD2-CB 3.77Å; L146-E173 HydrophobicContact CD2-CG 4.17Å; S170-E173 PolarHBondContact O-N 3.4Å; E173-D176 PolarHBondContact O-N 3.48Å; E173-I177 WeakPolarHBondContact O-CG1 3.43Å; E173-I177 PolarHBondContact O-N 3.22Å
174F98.8Very high98.3Very high1 Ų147.6 Ų47.60%0.00422%0.22CC..Hα-helixtrans-60.5-51.9174.9178.1-91000110.7L132 F149 L165 C167 S170 H171 Q172 D176 I177 M178 V190L132-F174 HydrophobicContact CD1-CB 4.13Å; F149-F174 AromaticContact CE1-CD2 3.71Å; F149-F174 HydrophobicContact CE1-CD2 3.71Å; F149-F174 HydrophobicContact CE1-CE2 4.03Å; F149-F174 HydrophobicContact CE1-CG 4.49Å; F149-F174 HydrophobicContact CE2-CE2 4.49Å; F149-F174 AromaticContact CZ-CD2 3.84Å; F149-F174 HydrophobicContact CZ-CD2 3.84Å; F149-F174 AromaticContact CZ-CE2 3.65Å; F149-F174 HydrophobicContact CZ-CE2 3.65Å; F149-F174 HydrophobicContact CZ-CZ 4.48Å; L165-F174 HydrophobicContact CB-CE2 4.03Å; L165-F174 HydrophobicContact CB-CZ 3.83Å; L165-F174 HydrophobicContact CD1-CZ 4.03Å; L165-F174 HydrophobicContact CD2-CE2 4.4Å; L165-F174 HydrophobicContact CD2-CZ 4.46Å; L165-F174 HydrophobicContact CG-CZ 4.33Å; C167-F174 HydrophobicContact CB-CD1 4.4Å; C167-F174 HydrophobicContact CB-CD2 3.99Å; C167-F174 HydrophobicContact CB-CE2 4.24Å; C167-F174 HydrophobicContact CB-CG 4.08Å; S170-F174 WeakPolarHBondContact O-CB 3.49Å; S170-F174 PolarHBondContact O-N 2.89Å; H171-F174 PolarHBondContact O-N 3.33Å; Q172-F174 VanDerWaalsContact C-N 3.31Å; Q172-F174 PolarHBondContact O-N 3.42Å; F174-D176 VanDerWaalsContact C-N 3.32Å; F174-D176 PolarHBondContact O-N 3.46Å; F174-I177 PolarHBondContact O-N 3.47Å; F174-M178 HydrophobicContact CD1-CG 3.98Å; F174-M178 HydrophobicContact CE1-CG 3.56Å; F174-M178 HydrophobicContact CE1-SD 4.4Å; F174-M178 HydrophobicContact CE2-CG 4.3Å; F174-M178 HydrophobicContact CE2-SD 4.44Å; F174-M178 HydrophobicContact CG-CG 4.49Å; F174-M178 HydrophobicContact CZ-CG 3.75Å; F174-M178 HydrophobicContact CZ-SD 4Å; F174-M178 WeakPolarHBondContact O-CB 3.21Å; F174-M178 VanDerWaalsContact O-CG 3.3Å; F174-M178 WeakPolarHBondContact O-CG 3.43Å; F174-M178 PolarHBondContact O-N 3.21Å; F174-V190 HydrophobicContact CE1-CG2 3.82Å; F174-V190 HydrophobicContact CZ-CG2 3.79Å
175I98.6Very high98.1Very high13 Ų1347.9 Ų47.97%0.06722%0.222CC..Hα-helixtrans-62.8-38.5178.7-68.9-65.4000111.2H171 Q172 M178 K179 A202 I203 L206H171-I175 WeakPolarHBondContact O-CB 3.49Å; H171-I175 VanDerWaalsContact O-CG1 3.22Å; H171-I175 WeakPolarHBondContact O-CG1 3.24Å; H171-I175 PolarHBondContact O-N 3.42Å; Q172-I175 PolarHBondContact O-N 3.08Å; I175-M178 PolarHBondContact O-N 3.16Å; I175-K179 HydrophobicContact CG2-CD 3.84Å; I175-K179 VanDerWaalsContact CG2-CE 3.48Å; I175-K179 HydrophobicContact CG2-CG 4.29Å; I175-K179 WeakPolarHBondContact O-CB 3.29Å; I175-K179 VanDerWaalsContact O-CG 3.31Å; I175-K179 WeakPolarHBondContact O-CG 3.25Å; I175-K179 PolarHBondContact O-N 3.09Å; I175-A202 HydrophobicContact CD1-CB 4.05Å; I175-A202 HydrophobicContact CG1-CB 4.35Å; I175-I203 HydrophobicContact CD1-CG1 4.05Å; I175-L206 HydrophobicContact CD1-CD1 3.77Å
176D98.7Very high98Very high66 Ų6651.9 Ų51.935%0.35325%0.246SC..Hα-helixtrans-66.2-39.9178.5-70.7-24.3000112.7Q172 E173 F174 R180Q172-D176 VanDerWaalsContact NE2-CG 3.3Å; Q172-D176 PolarHBondContact NE2-OD1 3.46Å; Q172-D176 VanDerWaalsContact NE2-OD1 3.11Å; Q172-D176 PolarHBondContact NE2-OD2 2.82Å; Q172-D176 VanDerWaalsContact O-CG 3.23Å; Q172-D176 PolarHBondContact O-N 2.74Å; E173-D176 PolarHBondContact O-N 3.48Å; F174-D176 VanDerWaalsContact C-N 3.32Å; F174-D176 PolarHBondContact O-N 3.46Å; D176-R180 WeakPolarHBondContact O-CG 3.27Å; D176-R180 PolarHBondContact O-N 3.3Å; D176-R180 PolarHBondContact O-NE 2.66Å
177I98.8Very high98Very high5 Ų551.6 Ų51.63%0.02625%0.247CC..Hα-helixtrans-68.1-46.8173.1-70.9168.6000110.4L132 L146 F149 E150 F153 E173 F174 K179 R180 N181L132-I177 HydrophobicContact CD1-CD1 4.38Å; L146-I177 HydrophobicContact CB-CD1 4.43Å; L146-I177 HydrophobicContact CD2-CD1 3.66Å; F149-I177 HydrophobicContact CD1-CB 4.1Å; F149-I177 HydrophobicContact CD1-CD1 3.65Å; F149-I177 HydrophobicContact CD1-CG1 4.47Å; F149-I177 HydrophobicContact CD1-CG2 3.7Å; F149-I177 HydrophobicContact CE1-CB 3.82Å; F149-I177 HydrophobicContact CE1-CD1 4.21Å; F149-I177 HydrophobicContact CE1-CG2 3.53Å; F149-I177 HydrophobicContact CG-CG2 4.42Å; F149-I177 HydrophobicContact CZ-CG2 4.13Å; E150-I177 HydrophobicContact CB-CG2 4.07Å; E150-I177 HydrophobicContact CG-CG2 4.39Å; F153-I177 HydrophobicContact CE2-CG2 3.64Å; F153-I177 HydrophobicContact CZ-CG2 4.16Å; E173-I177 WeakPolarHBondContact O-CG1 3.43Å; E173-I177 PolarHBondContact O-N 3.22Å; F174-I177 PolarHBondContact O-N 3.47Å; I177-K179 PolarHBondContact O-N 3.44Å; I177-R180 PolarHBondContact O-N 2.93Å; I177-N181 WeakPolarHBondContact O-CB 3.3Å; I177-N181 PolarHBondContact O-N 3.5Å; I177-N181 VanDerWaalsContact O-N 3.13Å; I177-N181 PolarHBondContact O-ND2 2.7Å
178M98.6Very high98Very high0 Ų051.4 Ų51.40%025%0.246CC..Hα-helixtrans-58.4-45.4178.8-73.8-58.9-43.300111.5F149 F153 L165 F174 I175 R180 N181 R182 L206 L208F149-M178 HydrophobicContact CZ-CG 4.33Å; F149-M178 HydrophobicContact CZ-SD 3.79Å; F153-M178 HydrophobicContact CE1-CE 3.96Å; F153-M178 HydrophobicContact CE1-SD 4.06Å; F153-M178 HydrophobicContact CZ-CE 4.04Å; F153-M178 HydrophobicContact CZ-SD 3.51Å; F153-M178 VanDerWaalsContact CZ-SD 3.51Å; L165-M178 HydrophobicContact CD1-CE 4Å; L165-M178 HydrophobicContact CD1-SD 3.78Å; L165-M178 HydrophobicContact CD2-SD 4.03Å; F174-M178 HydrophobicContact CD1-CG 3.98Å; F174-M178 HydrophobicContact CE1-CG 3.56Å; F174-M178 HydrophobicContact CE1-SD 4.4Å; F174-M178 HydrophobicContact CE2-CG 4.3Å; F174-M178 HydrophobicContact CE2-SD 4.44Å; F174-M178 HydrophobicContact CG-CG 4.49Å; F174-M178 HydrophobicContact CZ-CG 3.75Å; F174-M178 HydrophobicContact CZ-SD 4Å; F174-M178 WeakPolarHBondContact O-CB 3.21Å; F174-M178 VanDerWaalsContact O-CG 3.3Å; F174-M178 WeakPolarHBondContact O-CG 3.43Å; F174-M178 PolarHBondContact O-N 3.21Å; I175-M178 PolarHBondContact O-N 3.16Å; M178-R180 PolarHBondContact O-N 2.97Å; M178-N181 CarbonylContact O-C 3.26Å; M178-N181 PolarHBondContact O-N 3.32Å; M178-R182 VanDerWaalsContact O-CA 3.3Å; M178-R182 WeakPolarHBondContact O-CA 3.34Å; M178-R182 WeakPolarHBondContact O-CB 3.15Å; M178-R182 PolarHBondContact O-N 2.83Å; M178-L206 HydrophobicContact CB-CD1 3.8Å; M178-L208 HydrophobicContact CE-CD1 3.85Å; M178-L208 HydrophobicContact CE-CD2 4.3Å
179K98.4Very high98Very high122 Ų12249.9 Ų49.953%0.5324%0.24SC..Hα-helixtrans-58.7-46.9179-83.1173178.1171.70112.6I175 I177 N181 L206I175-K179 HydrophobicContact CG2-CD 3.84Å; I175-K179 VanDerWaalsContact CG2-CE 3.48Å; I175-K179 HydrophobicContact CG2-CG 4.29Å; I175-K179 WeakPolarHBondContact O-CB 3.29Å; I175-K179 VanDerWaalsContact O-CG 3.31Å; I175-K179 WeakPolarHBondContact O-CG 3.25Å; I175-K179 PolarHBondContact O-N 3.09Å; I177-K179 PolarHBondContact O-N 3.44Å; K179-N181 PolarHBondContact O-N 3.29Å; K179-L206 HydrophobicContact CG-CD1 4.4Å; K179-L206 HydrophobicContact CG-CD2 3.62Å
180R98.4Very high98.1Very high153 Ų15345.1 Ų45.158%0.57722%0.215SC*.Hα-helixtrans-69.4-24.2-179-69-178.3-60.8115-0.2113E150 D176 I177 M178E150-R180 IonicContact OE1-CZ 3.73Å; E150-R180 VanDerWaalsContact OE1-CZ 3.31Å; E150-R180 IonicContact OE1-NH1 2.76Å; E150-R180 PolarHBondContact OE1-NH1 3.24Å; E150-R180 IonicContact OE1-NH2 2.66Å; E150-R180 PolarHBondContact OE1-NH2 2.89Å; E150-R180 IonicContact OE2-CZ 3.44Å; E150-R180 IonicContact OE2-NH1 3.3Å; E150-R180 PolarHBondContact OE2-NH1 2.88Å; E150-R180 IonicContact OE2-NH2 3.29Å; E150-R180 PolarHBondContact OE2-NH2 3.48Å; D176-R180 WeakPolarHBondContact O-CG 3.27Å; D176-R180 PolarHBondContact O-N 3.3Å; D176-R180 PolarHBondContact O-NE 2.66Å; I177-R180 PolarHBondContact O-N 2.93Å; M178-R180 PolarHBondContact O-N 2.97Å
181N98.6Very high98.2Very high6 Ų645.4 Ų45.43%0.03222%0.216CC..Hα-helixtrans-113.610.2-176-64.9-83.9000113.4E150 F153 I177 M178 K179 D183 R184E150-N181 PolarHBondContact OE1-ND2 3.29Å; F153-N181 HydrophobicContact CB-CB 4.26Å; F153-N181 HydrophobicContact CD1-CB 3.35Å; F153-N181 HydrophobicContact CD2-CB 4.02Å; F153-N181 HydrophobicContact CE1-CB 3.47Å; F153-N181 VanDerWaalsContact CE1-CB 3.47Å; F153-N181 HydrophobicContact CE2-CB 4.14Å; F153-N181 HydrophobicContact CG-CB 3.6Å; F153-N181 HydrophobicContact CZ-CB 3.85Å; I177-N181 WeakPolarHBondContact O-CB 3.3Å; I177-N181 PolarHBondContact O-N 3.5Å; I177-N181 VanDerWaalsContact O-N 3.13Å; I177-N181 PolarHBondContact O-ND2 2.7Å; M178-N181 CarbonylContact O-C 3.26Å; M178-N181 PolarHBondContact O-N 3.32Å; K179-N181 PolarHBondContact O-N 3.29Å; N181-D183 VanDerWaalsContact C-N 3.3Å; N181-D183 PolarHBondContact O-N 3.4Å; N181-R184 VanDerWaalsContact O-CB 3.24Å; N181-R184 WeakPolarHBondContact O-CB 3.41Å; N181-R184 PolarHBondContact O-N 2.99Å; N181-R184 WeakPolarHBondContact OD1-CD 3.28Å; N181-R184 PolarHBondContact OD1-NH1 2.82Å
182R98.1Very high98.3Very high43 Ų4344 Ų4416%0.16221%0.21CC..G310 helixtrans-60.8-38.8-169.7-178.656.7-170.284.3-2113M178 R184 C185 L206 D207M178-R182 VanDerWaalsContact O-CA 3.3Å; M178-R182 WeakPolarHBondContact O-CA 3.34Å; M178-R182 WeakPolarHBondContact O-CB 3.15Å; M178-R182 PolarHBondContact O-N 2.83Å; R182-R184 PolarHBondContact O-N 3.31Å; R182-C185 PolarHBondContact NH1-O 2.89Å; R182-C185 PolarHBondContact O-N 3.23Å; R182-L206 PolarHBondContact NE-O 2.83Å; R182-L206 PolarHBondContact NH2-O 3.39Å; R182-D207 IonicContact NH2-OD2 3.46Å
183D97.8Very high98.3Very high165 Ų16538.6 Ų38.688%0.88219%0.185SC*.G310 helixtrans-69.8-9.8179.5-64.3-26.4000113.3N181N181-D183 VanDerWaalsContact C-N 3.3Å; N181-D183 PolarHBondContact O-N 3.4Å
184R98.1Very high98.2Very high58 Ų5838.6 Ų38.622%0.21919%0.187CC..G310 helixtrans-92.3-9.1-177.7-51.3178.465.8-154.5-5.3112.8F153 D154 E157 N181 R182F153-R184 HydrophobicContact CB-CB 4.41Å; F153-R184 HydrophobicContact CD1-CB 4.43Å; D154-R184 IonicContact OD1-CZ 3.78Å; D154-R184 IonicContact OD1-NH1 3.45Å; D154-R184 IonicContact OD1-NH2 2.65Å; D154-R184 PolarHBondContact OD1-NH2 2.82Å; E157-R184 WeakPolarHBondContact CA-O 3.4Å; E157-R184 HydrophobicContact CB-CB 4.28Å; E157-R184 WeakPolarHBondContact CB-O 3.29Å; E157-R184 PolarHBondContact N-O 3.37Å; E157-R184 IonicContact OE2-CZ 3.9Å; E157-R184 IonicContact OE2-NE 3.56Å; E157-R184 PolarHBondContact OE2-NE 3.29Å; E157-R184 IonicContact OE2-NH2 3.98Å; E157-R184 PolarHBondContact OE2-NH2 3.19Å; N181-R184 VanDerWaalsContact O-CB 3.24Å; N181-R184 WeakPolarHBondContact O-CB 3.41Å; N181-R184 PolarHBondContact O-N 2.99Å; N181-R184 WeakPolarHBondContact OD1-CD 3.28Å; N181-R184 PolarHBondContact OD1-NH1 2.82Å; R182-R184 PolarHBondContact O-N 3.31Å
185C96.3Very high98.1Very high7 Ų738.9 Ų38.95%0.04719%0.19CC..SBendtrans-121.3148.217369.80000111.5A156 M163 R182 G187A156-C185 HydrophobicContact CB-CB 4.1Å; M163-C185 HydrophobicContact CG-CB 3.96Å; M163-C185 HydrophobicContact SD-CB 3.6Å; R182-C185 PolarHBondContact NH1-O 2.89Å; R182-C185 PolarHBondContact O-N 3.23Å; C185-G187 PolarHBondContact O-N 2.93Å
186V97.1Very high98.1Very high84 Ų8441.4 Ų41.451%0.50921%0.206SC..SBendtrans-78.6-7.1-179.4-62.10000113.1K160 P162K160-V186 HydrophobicContact CB-CG1 4.32Å; K160-V186 HydrophobicContact CD-CG1 4.45Å; K160-V186 WeakPolarHBondContact O-CG2 3.43Å; P162-V186 HydrophobicContact CB-CG2 4.31Å
187G97.4Very high98.1Very high10 Ų1039.8 Ų39.810%0.10320%0.202CC..  trans142-174.3-173.300000110.4P162 M163 C185P162-G187 WeakPolarHBondContact CA-O 3.4Å; M163-G187 PolarHBondContact N-O 3.37Å; C185-G187 PolarHBondContact O-N 2.93Å
188G98.5Very high98.1Very high0 Ų046.1 Ų46.10%023%0.231CC..EExtended strand (participates in β ladder)trans169.6-178.717800000112.8M163 Y209M163-G188 CarbonylContact O-C 3.59Å; M163-G188 WeakPolarHBondContact O-CA 3.45Å; G188-Y209 PolarHBondContact O-N 3.13Å
189V98.9Very high98.1Very high0 Ų047.6 Ų47.60%024%0.239CC..EExtended strand (participates in β ladder)trans-125.3134176.467.20000109.3I26 M163 F164 L165 H191 Y209 M235 F310I26-V189 HydrophobicContact CD1-CB 4.4Å; I26-V189 HydrophobicContact CD1-CG1 3.91Å; I26-V189 HydrophobicContact CD1-CG2 3.78Å; M163-V189 PolarHBondContact O-N 3.45Å; F164-V189 HydrophobicContact CD2-CG1 3.6Å; F164-V189 HydrophobicContact CE2-CG1 4.09Å; L165-V189 WeakPolarHBondContact CB-O 3.48Å; L165-V189 PolarHBondContact N-O 2.91Å; V189-H191 PolarHBondContact O-N 3.16Å; V189-Y209 WeakPolarHBondContact CA-O 3.43Å; V189-M235 HydrophobicContact CB-SD 4.03Å; V189-M235 HydrophobicContact CG2-CB 4.34Å; V189-M235 HydrophobicContact CG2-CG 4.39Å; V189-M235 HydrophobicContact CG2-SD 3.89Å; V189-F310 HydrophobicContact CB-CZ 4.3Å; V189-F310 HydrophobicContact CG1-CE2 4.14Å; V189-F310 HydrophobicContact CG1-CZ 3.68Å
190V98.9Very high98.1Very high2 Ų241.8 Ų41.81%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-85102.3162.6-174.60000106.4L165 C167 F174 I203 L208 Y209 G211L165-V190 HydrophobicContact CB-CG2 4.36Å; L165-V190 HydrophobicContact CD1-CG2 4.36Å; L165-V190 WeakPolarHBondContact O-CA 3.48Å; C167-V190 HydrophobicContact CB-CG1 4.07Å; F174-V190 HydrophobicContact CE1-CG2 3.82Å; F174-V190 HydrophobicContact CZ-CG2 3.79Å; V190-I203 HydrophobicContact CB-CD1 4.04Å; V190-I203 HydrophobicContact CB-CG2 4.24Å; V190-I203 HydrophobicContact CG1-CD1 4Å; V190-I203 HydrophobicContact CG2-CD1 3.95Å; V190-I203 HydrophobicContact CG2-CG1 4.06Å; V190-I203 HydrophobicContact CG2-CG2 3.61Å; V190-L208 HydrophobicContact CG2-CD1 4.34Å; V190-Y209 PolarHBondContact N-O 3.29Å; V190-G211 PolarHBondContact O-N 2.96Å
191H98.8Very high98.1Very high7 Ų736.8 Ų36.83%0.03221%0.206CC..  trans-81.9161.2-170.786.985.6000111.3E129 F164 L165 H166 V189 F193 E237E129-H191 WeakPolarHBondContact CG-NE2 3.47Å; E129-H191 IonicContact OE1-CD2 2.73Å; E129-H191 IonicContact OE1-CE1 3.71Å; E129-H191 PolarHBondContact OE1-CE1 3.37Å; E129-H191 IonicContact OE1-NE2 2.71Å; E129-H191 PolarHBondContact OE1-NE2 3.27Å; F164-H191 AromaticContact CD1-CD2 3.74Å; F164-H191 HydrophobicContact CD2-CB 4.17Å; F164-H191 HydrophobicContact CE1-CB 4.02Å; F164-H191 AromaticContact CE1-CD2 3.29Å; F164-H191 WeakPolarHBondContact CE1-CD2 3.2Å; F164-H191 AromaticContact CE1-CE1 3.97Å; F164-H191 AromaticContact CE1-CG 3.48Å; F164-H191 VanDerWaalsContact CE1-CG 3.48Å; F164-H191 AromaticContact CE1-ND1 3.92Å; F164-H191 AromaticContact CE1-NE2 3.66Å; F164-H191 HydrophobicContact CE2-CB 3.47Å; F164-H191 VanDerWaalsContact CE2-CB 3.47Å; F164-H191 AromaticContact CE2-CG 3.9Å; F164-H191 HydrophobicContact CZ-CB 3.37Å; F164-H191 AromaticContact CZ-CD2 3.61Å; F164-H191 AromaticContact CZ-CG 3.27Å; F164-H191 AromaticContact CZ-ND1 3.71Å; L165-H191 VanDerWaalsContact C-CD2 3.49Å; L165-H191 PolarHBondContact O-CD2 3Å; L165-H191 PolarHBondContact O-N 3.47Å; H166-H191 AromaticContact ND1-CE1 3.97Å; H166-H191 AromaticContact ND1-NE2 3.64Å; V189-H191 PolarHBondContact O-N 3.16Å; H191-F193 PolarHBondContact O-N 3.25Å; H191-F193 VanDerWaalsContact O-N 3.1Å; H191-E237 WeakPolarHBondContact CA-OE1 3.08Å; H191-E237 WeakPolarHBondContact CB-OE1 3.17Å; H191-E237 IonicContact ND1-OE2 3.16Å
192S98.5Very high98.1Very high4 Ų438 Ų383%0.02822%0.216CC..SBendtrans51.937.7174.2-167.50000112.5R168 D194 G211 N213 E237R168-S192 PolarHBondContact NH1-O 2.92Å; R168-S192 PolarHBondContact NH2-O 3.08Å; R168-S192 PolarHBondContact NH2-OG 3.07Å; S192-D194 PolarHBondContact O-N 3.25Å; S192-G211 PolarHBondContact N-O 2.87Å; S192-N213 WeakPolarHBondContact CA-ND2 3.45Å; S192-N213 WeakPolarHBondContact CB-ND2 3.35Å; S192-N213 PolarHBondContact OG-ND2 3.38Å; S192-E237 PolarHBondContact N-OE1 3.41Å
193F98.6Very high98.1Very high8 Ų836 Ų364%0.03521%0.209CC..  trans-59.9134.4-167.5174.3-98.3000113.4H191 G195 T196 D199 A200 I203 I210 G211 S216 A225H191-F193 PolarHBondContact O-N 3.25Å; H191-F193 VanDerWaalsContact O-N 3.1Å; F193-G195 VanDerWaalsContact CZ-C 3.41Å; F193-G195 VanDerWaalsContact CZ-CA 3.47Å; F193-T196 WeakPolarHBondContact CZ-O 3.49Å; F193-D199 HydrophobicContact CE2-CB 4.1Å; F193-D199 HydrophobicContact CZ-CB 4.23Å; F193-A200 HydrophobicContact CE1-CB 4.16Å; F193-A200 HydrophobicContact CE2-CB 4.47Å; F193-A200 HydrophobicContact CZ-CB 3.79Å; F193-I203 HydrophobicContact CD2-CD1 3.96Å; F193-I203 HydrophobicContact CE2-CD1 3.79Å; F193-I210 HydrophobicContact CB-CG2 3.35Å; F193-I210 HydrophobicContact CD1-CG2 3.93Å; F193-I210 HydrophobicContact CD2-CG2 4.16Å; F193-I210 HydrophobicContact CG-CG2 3.55Å; F193-G211 PolarHBondContact N-O 2.9Å; F193-S216 PolarHBondContact N-OG 3.44Å; F193-S216 VanDerWaalsContact O-CA 3.26Å; F193-S216 WeakPolarHBondContact O-CA 3.35Å; F193-S216 WeakPolarHBondContact O-CB 3.48Å; F193-S216 PolarHBondContact O-OG 3.2Å; F193-A225 HydrophobicContact CE1-CB 4.34Å
194D96.7Very high98.2Very high56 Ų5629.6 Ų29.630%0.29917%0.174SC..  trans-135.713.3175.775.6-15.9000114.1R168 S192 N222R168-D194 WeakPolarHBondContact CD-OD1 3.08Å; R168-D194 WeakPolarHBondContact CD-OD2 3.47Å; R168-D194 IonicContact CZ-OD1 3.32Å; R168-D194 IonicContact CZ-OD2 3.75Å; R168-D194 VanDerWaalsContact CZ-OD2 3.28Å; R168-D194 IonicContact NE-OD1 3.75Å; R168-D194 IonicContact NE-OD2 3.62Å; R168-D194 PolarHBondContact NE-OD2 2.64Å; R168-D194 IonicContact NH1-OD1 2.69Å; R168-D194 PolarHBondContact NH1-OD1 2.85Å; R168-D194 IonicContact NH1-OD2 3.64Å; R168-D194 PolarHBondContact NH1-OD2 2.99Å; S192-D194 PolarHBondContact O-N 3.25Å; D194-N222 PolarHBondContact O-ND2 2.94Å; D194-N222 VanDerWaalsContact O-ND2 3.14Å
195G96.9Very high98.2Very high8 Ų833.7 Ų33.78%0.08220%0.2CC..  trans-75.7-169.418000000114.2F193F193-G195 VanDerWaalsContact CZ-C 3.41Å; F193-G195 VanDerWaalsContact CZ-CA 3.47Å
196T98.4Very high98.3Very high66 Ų6634.2 Ų34.241%0.40520%0.203SC..  trans-86.4170.6-179.864.20000112.6F193 E198 D199 A200F193-T196 WeakPolarHBondContact CZ-O 3.49Å; T196-E198 WeakPolarHBondContact CB-OE2 3.2Å; T196-E198 PolarHBondContact O-N 3.26Å; T196-E198 PolarHBondContact OG1-OE2 3.41Å; T196-D199 WeakPolarHBondContact CB-OD2 3.32Å; T196-D199 PolarHBondContact N-OD2 3.14Å; T196-D199 PolarHBondContact O-N 3.41Å; T196-D199 PolarHBondContact OG1-N 3.02Å; T196-D199 VanDerWaalsContact OG1-N 3.13Å; T196-D199 PolarHBondContact OG1-OD2 2.94Å; T196-A200 PolarHBondContact O-N 3.36Å
197A98.3Very high98.4Very high31 Ų3134 Ų3426%0.25620%0.199SC..Hα-helixtrans-61.4-34.2173.500000111.6A200 A201 T228A197-A200 PolarHBondContact O-N 3.42Å; A197-A201 PolarHBondContact O-N 3.02Å; A197-T228 HydrophobicContact CB-CG2 3.84Å
198E98.5Very high98.4Very high138 Ų13833.5 Ų33.565%0.64519%0.194SC*.Hα-helixtrans-66.3-42175.3-64.872.8-162.700111.6T196 A201 A202T196-E198 WeakPolarHBondContact CB-OE2 3.2Å; T196-E198 PolarHBondContact O-N 3.26Å; T196-E198 PolarHBondContact OG1-OE2 3.41Å; E198-A201 PolarHBondContact O-N 3.46Å; E198-A202 WeakPolarHBondContact O-CB 3.46Å; E198-A202 PolarHBondContact O-N 3.22Å
199D98.4Very high98.4Very high31 Ų3134.2 Ų34.217%0.16620%0.196CC..Hα-helixtrans-62.6-43.8174.8-61.4-46.1000110.9H171 F193 T196 A201 A202 I203H171-D199 VanDerWaalsContact CB-OD1 3.29Å; H171-D199 WeakPolarHBondContact CB-OD1 3.39Å; H171-D199 VanDerWaalsContact CD2-CG 3.45Å; H171-D199 IonicContact CD2-OD1 3.87Å; H171-D199 IonicContact CD2-OD2 3.71Å; H171-D199 IonicContact CE1-OD2 3.69Å; H171-D199 VanDerWaalsContact CG-CG 3.47Å; H171-D199 IonicContact CG-OD1 3.79Å; H171-D199 IonicContact CG-OD2 3.38Å; H171-D199 IonicContact ND1-OD1 2.69Å; H171-D199 IonicContact ND1-OD2 3.97Å; H171-D199 IonicContact NE2-OD2 3.23Å; F193-D199 HydrophobicContact CE2-CB 4.1Å; F193-D199 HydrophobicContact CZ-CB 4.23Å; T196-D199 WeakPolarHBondContact CB-OD2 3.32Å; T196-D199 PolarHBondContact N-OD2 3.14Å; T196-D199 PolarHBondContact O-N 3.41Å; T196-D199 PolarHBondContact OG1-N 3.02Å; T196-D199 VanDerWaalsContact OG1-N 3.13Å; T196-D199 PolarHBondContact OG1-OD2 2.94Å; D199-A201 PolarHBondContact O-N 2.93Å; D199-A202 PolarHBondContact O-N 3.21Å; D199-I203 WeakPolarHBondContact O-CD1 3.46Å; D199-I203 VanDerWaalsContact O-CG1 3.28Å; D199-I203 WeakPolarHBondContact O-CG1 3.16Å; D199-I203 PolarHBondContact O-N 3.49Å
200A98.6Very high98.4Very high0 Ų034.2 Ų34.20%020%0.196CC..Hα-helixtrans-59.8-46.4176.500000111.6F193 T196 A197 A202 I203 I204 I210 I229F193-A200 HydrophobicContact CE1-CB 4.16Å; F193-A200 HydrophobicContact CE2-CB 4.47Å; F193-A200 HydrophobicContact CZ-CB 3.79Å; T196-A200 PolarHBondContact O-N 3.36Å; A197-A200 PolarHBondContact O-N 3.42Å; A200-A202 PolarHBondContact O-N 2.95Å; A200-I203 PolarHBondContact O-N 3.27Å; A200-I204 WeakPolarHBondContact O-CD1 3.32Å; A200-I204 VanDerWaalsContact O-CG1 3.25Å; A200-I204 WeakPolarHBondContact O-CG1 3.47Å; A200-I204 PolarHBondContact O-N 3.45Å; A200-I210 HydrophobicContact CB-CD1 3.7Å; A200-I229 HydrophobicContact CB-CG1 4.08Å
201A98.8Very high98.4Very high49 Ų4934.1 Ų34.141%0.40520%0.196SC..Hα-helixtrans-60.1-44.2176.800000111.8A197 E198 D199 I203 I204 D205A197-A201 PolarHBondContact O-N 3.02Å; E198-A201 PolarHBondContact O-N 3.46Å; D199-A201 PolarHBondContact O-N 2.93Å; A201-I203 VanDerWaalsContact C-N 3.31Å; A201-I203 PolarHBondContact O-N 2.95Å; A201-I204 PolarHBondContact O-N 3.28Å; A201-D205 PolarHBondContact O-N 3.5Å
202A98.6Very high98.5Very high30 Ų3033.8 Ų33.825%0.24819%0.194CC..Hα-helixtrans-63.2-35.1177.600000113I175 E198 D199 A200 L206I175-A202 HydrophobicContact CD1-CB 4.05Å; I175-A202 HydrophobicContact CG1-CB 4.35Å; E198-A202 WeakPolarHBondContact O-CB 3.46Å; E198-A202 PolarHBondContact O-N 3.22Å; D199-A202 PolarHBondContact O-N 3.21Å; A200-A202 PolarHBondContact O-N 2.95Å; A202-L206 WeakPolarHBondContact O-CG 3.3Å
203I98.8Very high98.5Very high1 Ų133.6 Ų33.61%0.00519%0.193CC..Hα-helixtrans-67.5-43.8174-68.7163.5000110.6I175 V190 F193 D199 A200 A201 L206 L208 I210I175-I203 HydrophobicContact CD1-CG1 4.05Å; V190-I203 HydrophobicContact CB-CD1 4.04Å; V190-I203 HydrophobicContact CB-CG2 4.24Å; V190-I203 HydrophobicContact CG1-CD1 4Å; V190-I203 HydrophobicContact CG2-CD1 3.95Å; V190-I203 HydrophobicContact CG2-CG1 4.06Å; V190-I203 HydrophobicContact CG2-CG2 3.61Å; F193-I203 HydrophobicContact CD2-CD1 3.96Å; F193-I203 HydrophobicContact CE2-CD1 3.79Å; D199-I203 WeakPolarHBondContact O-CD1 3.46Å; D199-I203 VanDerWaalsContact O-CG1 3.28Å; D199-I203 WeakPolarHBondContact O-CG1 3.16Å; D199-I203 PolarHBondContact O-N 3.49Å; A200-I203 PolarHBondContact O-N 3.27Å; A201-I203 VanDerWaalsContact C-N 3.31Å; A201-I203 PolarHBondContact O-N 2.95Å; I203-L206 WeakPolarHBondContact O-CB 3.28Å; I203-L206 PolarHBondContact O-N 3.2Å; I203-L206 VanDerWaalsContact O-N 3.16Å; I203-L208 HydrophobicContact CG2-CB 3.7Å; I203-L208 HydrophobicContact CG2-CD1 4.28Å; I203-L208 WeakPolarHBondContact O-CB 3.46Å; I203-L208 PolarHBondContact O-N 3.3Å; I203-I210 HydrophobicContact CB-CD1 4.36Å; I203-I210 HydrophobicContact CB-CG1 4.46Å; I203-I210 HydrophobicContact CG2-CD1 4.24Å; I203-I210 HydrophobicContact CG2-CG1 3.82Å
204I98.7Very high98.5Very high32 Ų3233.2 Ų33.216%0.16419%0.191CC..Hα-helixtrans-67.4-37.2-179.5-66.5157.4000111.7A200 A201 L206 D207 I210 I229 P230 R233A200-I204 WeakPolarHBondContact O-CD1 3.32Å; A200-I204 VanDerWaalsContact O-CG1 3.25Å; A200-I204 WeakPolarHBondContact O-CG1 3.47Å; A200-I204 PolarHBondContact O-N 3.45Å; A201-I204 PolarHBondContact O-N 3.28Å; I204-L206 PolarHBondContact O-N 2.87Å; I204-L206 VanDerWaalsContact O-N 3.17Å; I204-D207 WeakPolarHBondContact O-CA 3.36Å; I204-D207 PolarHBondContact O-N 3.17Å; I204-I210 HydrophobicContact CD1-CD1 4.14Å; I204-I210 HydrophobicContact CG1-CD1 4.07Å; I204-I229 HydrophobicContact CD1-CG2 4.26Å; I204-P230 HydrophobicContact CD1-CG 4.47Å; I204-R233 HydrophobicContact CG1-CB 4.36Å; I204-R233 HydrophobicContact CG1-CG 4.33Å; I204-R233 HydrophobicContact CG2-CG 4.18Å
205D98.5Very high98.5Very high143 Ų14331.1 Ų31.177%0.76518%0.181SC*.Hα-helixtrans-61.1-21.8174.7-82.5-5.8000112.6A201 D207A201-D205 PolarHBondContact O-N 3.5Å; D205-D207 VanDerWaalsContact C-N 3.28Å
206L98.4Very high98.6Very high19 Ų1930.9 Ų30.910%0.09918%0.178CC..THydrogen-bonded Turntrans-87.911.4171.4-60.4173.5000112.9I175 M178 K179 R182 A202 I203 I204 L208I175-L206 HydrophobicContact CD1-CD1 3.77Å; M178-L206 HydrophobicContact CB-CD1 3.8Å; K179-L206 HydrophobicContact CG-CD1 4.4Å; K179-L206 HydrophobicContact CG-CD2 3.62Å; R182-L206 PolarHBondContact NE-O 2.83Å; R182-L206 PolarHBondContact NH2-O 3.39Å; A202-L206 WeakPolarHBondContact O-CG 3.3Å; I203-L206 WeakPolarHBondContact O-CB 3.28Å; I203-L206 PolarHBondContact O-N 3.2Å; I203-L206 VanDerWaalsContact O-N 3.16Å; I204-L206 PolarHBondContact O-N 2.87Å; I204-L206 VanDerWaalsContact O-N 3.17Å; L206-L208 HydrophobicContact CB-CD1 4.03Å; L206-L208 HydrophobicContact CB-CG 4.09Å; L206-L208 HydrophobicContact CD1-CD1 4.42Å; L206-L208 PolarHBondContact O-N 3.08Å
207D98.4Very high98.6Very high79 Ų7927.7 Ų27.742%0.42216%0.159SC..THydrogen-bonded Turntrans57.632.1-177.7-172.148000113.1R182 I204 D205 R233R182-D207 IonicContact NH2-OD2 3.46Å; I204-D207 WeakPolarHBondContact O-CA 3.36Å; I204-D207 PolarHBondContact O-N 3.17Å; D205-D207 VanDerWaalsContact C-N 3.28Å; D207-R233 IonicContact OD1-CZ 3.51Å; D207-R233 IonicContact OD1-NH1 3.88Å; D207-R233 PolarHBondContact OD1-NH1 2.69Å; D207-R233 IonicContact OD1-NH2 3.56Å; D207-R233 PolarHBondContact OD1-NH2 2.71Å
208L98.8Very high98.6Very high0 Ų030.5 Ų30.50%017%0.165CC..  trans-98.8160.4175.3-59.2171000111L165 M178 V190 I203 L206L165-L208 HydrophobicContact CD1-CD1 4.29Å; L165-L208 HydrophobicContact CD1-CD2 4.48Å; M178-L208 HydrophobicContact CE-CD1 3.85Å; M178-L208 HydrophobicContact CE-CD2 4.3Å; V190-L208 HydrophobicContact CG2-CD1 4.34Å; I203-L208 HydrophobicContact CG2-CB 3.7Å; I203-L208 HydrophobicContact CG2-CD1 4.28Å; I203-L208 WeakPolarHBondContact O-CB 3.46Å; I203-L208 PolarHBondContact O-N 3.3Å; L206-L208 HydrophobicContact CB-CD1 4.03Å; L206-L208 HydrophobicContact CB-CG 4.09Å; L206-L208 HydrophobicContact CD1-CD1 4.42Å; L206-L208 PolarHBondContact O-N 3.08Å
209Y98.9Very high98.6Very high14 Ų1427.1 Ų27.16%0.05515%0.154CC..EExtended strand (participates in β ladder)trans-97.2164.4173.7-68.3-107000110.4G188 V189 V190 E232 R233 M235 N305 K308 V309G188-Y209 PolarHBondContact O-N 3.13Å; V189-Y209 WeakPolarHBondContact CA-O 3.43Å; V190-Y209 PolarHBondContact N-O 3.29Å; Y209-E232 WeakPolarHBondContact CE1-O 3.37Å; Y209-R233 WeakPolarHBondContact CA-O 3.33Å; Y209-M235 HydrophobicContact CD1-CE 3.72Å; Y209-M235 HydrophobicContact CD1-CG 4.35Å; Y209-M235 HydrophobicContact CD2-CE 4.14Å; Y209-M235 HydrophobicContact CE1-CE 4.33Å; Y209-M235 HydrophobicContact CG-CE 3.61Å; Y209-N305 HydrophobicContact CD1-CB 4.09Å; Y209-N305 HydrophobicContact CE1-CB 3.69Å; Y209-K308 PolarHBondContact OH-NZ 2.91Å; Y209-V309 HydrophobicContact CD2-CG2 3.68Å; Y209-V309 HydrophobicContact CE1-CG2 4.32Å; Y209-V309 HydrophobicContact CE2-CG2 3.34Å; Y209-V309 HydrophobicContact CG-CG2 4.32Å
210I98.9Very high98.6Very high0 Ų030.3 Ų30.30%017%0.168CC..EExtended strand (participates in β ladder)trans-123.9124.2179-60.3176.5000109.5F193 A200 I203 I204 I212 I229 R233 M235F193-I210 HydrophobicContact CB-CG2 3.35Å; F193-I210 HydrophobicContact CD1-CG2 3.93Å; F193-I210 HydrophobicContact CD2-CG2 4.16Å; F193-I210 HydrophobicContact CG-CG2 3.55Å; A200-I210 HydrophobicContact CB-CD1 3.7Å; I203-I210 HydrophobicContact CB-CD1 4.36Å; I203-I210 HydrophobicContact CB-CG1 4.46Å; I203-I210 HydrophobicContact CG2-CD1 4.24Å; I203-I210 HydrophobicContact CG2-CG1 3.82Å; I204-I210 HydrophobicContact CD1-CD1 4.14Å; I204-I210 HydrophobicContact CG1-CD1 4.07Å; I210-I212 HydrophobicContact CG2-CD1 4.07Å; I210-I229 HydrophobicContact CB-CD1 4.04Å; I210-I229 HydrophobicContact CB-CG2 4.45Å; I210-I229 HydrophobicContact CD1-CD1 3.85Å; I210-I229 HydrophobicContact CD1-CG1 3.96Å; I210-I229 HydrophobicContact CD1-CG2 4.2Å; I210-I229 HydrophobicContact CG2-CD1 3.67Å; I210-R233 PolarHBondContact N-O 3.44Å; I210-M235 PolarHBondContact O-N 3.33Å
211G98.9Very high98.5Very high0 Ų033.7 Ų33.70%020%0.196CC..EExtended strand (participates in β ladder)trans-89.7132176.600000111.8V190 S192 F193 E237V190-G211 PolarHBondContact O-N 2.96Å; S192-G211 PolarHBondContact N-O 2.87Å; F193-G211 PolarHBondContact N-O 2.9Å; G211-E237 WeakPolarHBondContact CA-OE1 3.47Å
212I98.9Very high98.5Very high0 Ų032.5 Ų32.50%018%0.183CC..EExtended strand (participates in β ladder)trans-116.1129.6-179.2-57.6-60.2000109.9I210 L217 M226 I229 L234 M235 I236 E237 V283 M287I210-I212 HydrophobicContact CG2-CD1 4.07Å; I212-L217 HydrophobicContact CG2-CD1 4.15Å; I212-L217 HydrophobicContact CG2-CD2 3.98Å; I212-L217 HydrophobicContact CG2-CG 4.08Å; I212-M226 HydrophobicContact CD1-CB 4.4Å; I212-M226 HydrophobicContact CD1-CG 3.89Å; I212-M226 HydrophobicContact CG1-CG 4.09Å; I212-M226 HydrophobicContact CG2-CG 4.25Å; I212-I229 HydrophobicContact CD1-CD1 4.03Å; I212-L234 HydrophobicContact CD1-CD2 4.44Å; I212-L234 HydrophobicContact CG1-CD2 3.74Å; I212-M235 PolarHBondContact N-O 2.89Å; I212-I236 WeakPolarHBondContact O-CA 3.2Å; I212-E237 PolarHBondContact O-N 3.33Å; I212-V283 HydrophobicContact CG2-CG1 4.08Å; I212-M287 HydrophobicContact CB-CE 4.13Å; I212-M287 HydrophobicContact CB-SD 3.88Å; I212-M287 HydrophobicContact CG1-CE 4.11Å; I212-M287 HydrophobicContact CG1-SD 4.48Å; I212-M287 HydrophobicContact CG2-CE 4.32Å; I212-M287 HydrophobicContact CG2-CG 3.98Å; I212-M287 HydrophobicContact CG2-SD 3.65Å
213N98.8Very high98.5Very high0 Ų031.2 Ų31.20%017%0.171CC..  trans-133.6-172169.663.431.7000111.3S192 C215 S216 L217 E237S192-N213 WeakPolarHBondContact CA-ND2 3.45Å; S192-N213 WeakPolarHBondContact CB-ND2 3.35Å; S192-N213 PolarHBondContact OG-ND2 3.38Å; N213-C215 PolarHBondContact O-N 3.19Å; N213-C215 VanDerWaalsContact OD1-CA 3.32Å; N213-C215 WeakPolarHBondContact OD1-CA 3.34Å; N213-C215 WeakPolarHBondContact OD1-CB 3.12Å; N213-C215 PolarHBondContact OD1-N 3.25Å; N213-S216 PolarHBondContact N-OG 2.9Å; N213-S216 VanDerWaalsContact O-CB 3.26Å; N213-S216 WeakPolarHBondContact O-CB 3.32Å; N213-S216 PolarHBondContact O-N 2.99Å; N213-S216 PolarHBondContact OD1-N 3.16Å; N213-S216 PolarHBondContact OD1-OG 3.17Å; N213-L217 WeakPolarHBondContact O-CG 3.25Å; N213-E237 WeakPolarHBondContact CA-O 3.24Å; N213-E237 HydrophobicContact CB-CG 3.69Å; N213-E237 WeakPolarHBondContact CB-O 3.42Å
214G98.4Very high98.5Very high0 Ų036 Ų360%019%0.194CC..THydrogen-bonded Turntrans-67.6-15.6179.500000114.9C243G214-C243 CarbonylContact C-O 3.5Å; G214-C243 WeakPolarHBondContact CA-O 3.3Å; G214-C243 PolarHBondContact N-O 3.46Å
215C98.1Very high98.5Very high13 Ų1334.7 Ų34.79%0.08819%0.188CC..THydrogen-bonded Turntrans-74-34.4169-72.30000112.3N213 L217 K218 C243N213-C215 PolarHBondContact O-N 3.19Å; N213-C215 VanDerWaalsContact OD1-CA 3.32Å; N213-C215 WeakPolarHBondContact OD1-CA 3.34Å; N213-C215 WeakPolarHBondContact OD1-CB 3.12Å; N213-C215 PolarHBondContact OD1-N 3.25Å; C215-L217 PolarHBondContact O-N 3.06Å; C215-K218 HydrophobicContact CB-CD 4.45Å; C215-K218 WeakPolarHBondContact O-CD 3.28Å; C215-K218 WeakPolarHBondContact O-CG 3.5Å; C215-K218 VanDerWaalsContact SG-CE 3.56Å; C215-K218 PolarHBondContact SG-NZ 2.76Å; C215-C243 HydrophobicContact CB-CB 3.93Å; C215-C243 WeakPolarHBondContact CB-SG 3.42Å; C215-C243 VanDerWaalsContact SG-CA 3.52Å; C215-C243 WeakPolarHBondContact SG-CB 3.44Å; C215-C243 CovalentContact SG-SG 2.05Å; C215-C243 PolarHBondContact SG-SG 3.34Å
216S98.5Very high98.5Very high2 Ų227.9 Ų27.91%0.01415%0.152CC..THydrogen-bonded Turntrans-67.9-4.9172.2-47.40000114.2F193 N213 N222F193-S216 PolarHBondContact N-OG 3.44Å; F193-S216 VanDerWaalsContact O-CA 3.26Å; F193-S216 WeakPolarHBondContact O-CA 3.35Å; F193-S216 WeakPolarHBondContact O-CB 3.48Å; F193-S216 PolarHBondContact O-OG 3.2Å; N213-S216 PolarHBondContact N-OG 2.9Å; N213-S216 VanDerWaalsContact O-CB 3.26Å; N213-S216 WeakPolarHBondContact O-CB 3.32Å; N213-S216 PolarHBondContact O-N 2.99Å; N213-S216 PolarHBondContact OD1-N 3.16Å; N213-S216 PolarHBondContact OD1-OG 3.17Å; S216-N222 WeakPolarHBondContact O-CB 3.5Å
217L98.6Very high98.5Very high0 Ų030.4 Ų30.40%016%0.162CC..THydrogen-bonded Turntrans-12618.1-171.7-56.2169.4000112I212 N213 C215 M223 M226 G251 V283 V286I212-L217 HydrophobicContact CG2-CD1 4.15Å; I212-L217 HydrophobicContact CG2-CD2 3.98Å; I212-L217 HydrophobicContact CG2-CG 4.08Å; N213-L217 WeakPolarHBondContact O-CG 3.25Å; C215-L217 PolarHBondContact O-N 3.06Å; L217-M223 HydrophobicContact CB-SD 3.83Å; L217-M223 HydrophobicContact CD2-CE 4.39Å; L217-M223 HydrophobicContact CD2-SD 3.5Å; L217-M223 WeakPolarHBondContact CD2-SD 3.47Å; L217-M223 HydrophobicContact CG-SD 4.24Å; L217-M226 HydrophobicContact CD2-CE 4.08Å; L217-M226 HydrophobicContact CD2-CG 4.24Å; L217-G251 PolarHBondContact O-N 3.22Å; L217-V283 HydrophobicContact CD1-CG1 3.81Å; L217-V286 HydrophobicContact CB-CG1 4.24Å; L217-V286 HydrophobicContact CD1-CB 3.94Å; L217-V286 HydrophobicContact CD1-CG1 3.7Å; L217-V286 HydrophobicContact CD2-CG1 4.07Å; L217-V286 HydrophobicContact CG-CG1 4.21Å
218K97.8Very high98.5Very high90 Ų9030.2 Ų30.239%0.39116%0.164SC..SBendtrans-70.4-49.1-175.4-80172.4177164.30113C215 H249 A250C215-K218 HydrophobicContact CB-CD 4.45Å; C215-K218 WeakPolarHBondContact O-CD 3.28Å; C215-K218 WeakPolarHBondContact O-CG 3.5Å; C215-K218 VanDerWaalsContact SG-CE 3.56Å; C215-K218 PolarHBondContact SG-NZ 2.76Å; K218-H249 WeakPolarHBondContact O-CA 3.28Å; K218-A250 PolarHBondContact O-N 3.4Å
219T98.4Very high98.5Very high67 Ų6730.3 Ų30.341%0.41116%0.164SC..SBendtrans-113.3159.3-173.672.50000111.4A221 N222 M223T219-A221 PolarHBondContact O-N 2.93Å; T219-A221 PolarHBondContact OG1-N 3.11Å; T219-N222 WeakPolarHBondContact CB-OD1 3.22Å; T219-N222 PolarHBondContact N-OD1 3.36Å; T219-N222 PolarHBondContact O-N 3.18Å; T219-N222 VanDerWaalsContact O-N 3.14Å; T219-N222 PolarHBondContact OG1-N 2.76Å; T219-N222 VanDerWaalsContact OG1-N 3.1Å; T219-N222 PolarHBondContact OG1-OD1 2.88Å; T219-M223 WeakPolarHBondContact O-CG 3.32Å; T219-M223 PolarHBondContact O-N 3.45Å
220E98.1Very high98.5Very high97 Ų9731.7 Ų31.745%0.45318%0.175SC..Hα-helixtrans-60-33.9173.4-64.1-68.1165.800110.8N222 M223 E224 A250 K253E220-N222 PolarHBondContact O-N 2.96Å; E220-M223 WeakPolarHBondContact O-CB 3.48Å; E220-M223 PolarHBondContact O-N 3.1Å; E220-E224 WeakPolarHBondContact O-CG 3.32Å; E220-E224 PolarHBondContact O-N 3Å; E220-A250 HydrophobicContact CG-CB 4.02Å; E220-A250 WeakPolarHBondContact OE1-CB 3.29Å; E220-K253 IonicContact OE1-NZ 2.69Å; E220-K253 PolarHBondContact OE1-NZ 2.91Å; E220-K253 IonicContact OE2-NZ 2.88Å
221A98.2Very high98.5Very high72 Ų7232.8 Ų32.860%0.59518%0.182SC*.Hα-helixtrans-63.2-41.1174.300000112.6T219 M223 E224 A225T219-A221 PolarHBondContact O-N 2.93Å; T219-A221 PolarHBondContact OG1-N 3.11Å; A221-M223 VanDerWaalsContact C-N 3.33Å; A221-E224 PolarHBondContact O-N 3.36Å; A221-A225 WeakPolarHBondContact O-CB 2.98Å; A221-A225 PolarHBondContact O-N 3.14Å
222N98.3Very high98.5Very high24 Ų2437.9 Ų37.913%0.12821%0.205CC..Hα-helixtrans-66.5-37.7175-54.4124000111.6D194 S216 T219 E220 A225 M226D194-N222 PolarHBondContact O-ND2 2.94Å; D194-N222 VanDerWaalsContact O-ND2 3.14Å; S216-N222 WeakPolarHBondContact O-CB 3.5Å; T219-N222 WeakPolarHBondContact CB-OD1 3.22Å; T219-N222 PolarHBondContact N-OD1 3.36Å; T219-N222 PolarHBondContact O-N 3.18Å; T219-N222 VanDerWaalsContact O-N 3.14Å; T219-N222 PolarHBondContact OG1-N 2.76Å; T219-N222 VanDerWaalsContact OG1-N 3.1Å; T219-N222 PolarHBondContact OG1-OD1 2.88Å; E220-N222 PolarHBondContact O-N 2.96Å; N222-A225 PolarHBondContact O-N 3.49Å; N222-M226 WeakPolarHBondContact O-CB 3.23Å; N222-M226 PolarHBondContact O-N 3.11Å
223M98.3Very high98.5Very high2 Ų240 Ų401%0.0121%0.213CC..Hα-helixtrans-62.3-44.4175.1-65.2-67.2-57.100111.5L217 T219 E220 A221 M226 K227 A250 Y254 V286 A290L217-M223 HydrophobicContact CB-SD 3.83Å; L217-M223 HydrophobicContact CD2-CE 4.39Å; L217-M223 HydrophobicContact CD2-SD 3.5Å; L217-M223 WeakPolarHBondContact CD2-SD 3.47Å; L217-M223 HydrophobicContact CG-SD 4.24Å; T219-M223 WeakPolarHBondContact O-CG 3.32Å; T219-M223 PolarHBondContact O-N 3.45Å; E220-M223 WeakPolarHBondContact O-CB 3.48Å; E220-M223 PolarHBondContact O-N 3.1Å; A221-M223 VanDerWaalsContact C-N 3.33Å; M223-M226 HydrophobicContact CE-CE 4.13Å; M223-M226 PolarHBondContact O-N 2.82Å; M223-K227 WeakPolarHBondContact O-CG 3.34Å; M223-K227 PolarHBondContact O-N 2.86Å; M223-K227 VanDerWaalsContact O-N 3.12Å; M223-A250 HydrophobicContact CG-CB 4.02Å; M223-Y254 HydrophobicContact CE-CD2 4.31Å; M223-Y254 HydrophobicContact CE-CE2 4.1Å; M223-V286 HydrophobicContact CE-CG1 3.6Å; M223-V286 HydrophobicContact SD-CG1 3.81Å; M223-A290 HydrophobicContact CE-CB 3.24Å
224E98.6Very high98.5Very high101 Ų10140 Ų4047%0.47221%0.213SC..Hα-helixtrans-65.1-42.6176.7-67.9-51.4123.400112E220 A221 M226 K227 T228E220-E224 WeakPolarHBondContact O-CG 3.32Å; E220-E224 PolarHBondContact O-N 3Å; A221-E224 PolarHBondContact O-N 3.36Å; E224-M226 PolarHBondContact O-N 2.75Å; E224-K227 PolarHBondContact O-N 2.81Å; E224-K227 WeakPolarHBondContact OE1-CE 3.25Å; E224-K227 IonicContact OE1-NZ 2.72Å; E224-K227 PolarHBondContact OE1-NZ 2.8Å; E224-K227 IonicContact OE2-NZ 3.13Å; E224-T228 WeakPolarHBondContact O-CG2 3.49Å; E224-T228 PolarHBondContact O-N 3.11Å
225A98.6Very high98.5Very high5 Ų540 Ų404%0.04121%0.213CC..Hα-helixtrans-61.7-41.9174.200000112F193 A221 N222 K227 T228F193-A225 HydrophobicContact CE1-CB 4.34Å; A221-A225 WeakPolarHBondContact O-CB 2.98Å; A221-A225 PolarHBondContact O-N 3.14Å; N222-A225 PolarHBondContact O-N 3.49Å; A225-K227 VanDerWaalsContact C-N 3.29Å; A225-K227 PolarHBondContact O-N 2.97Å; A225-T228 PolarHBondContact O-N 3.44Å; A225-T228 PolarHBondContact O-OG1 3.17Å
226M98.6Very high98.5Very high1 Ų139.5 Ų39.51%0.00521%0.21CC..Hα-helixtrans-61.9-35.7177.1179.5-79.6-61.600112.5I212 L217 N222 M223 E224 T228 I229 M287 A290 R291I212-M226 HydrophobicContact CD1-CB 4.4Å; I212-M226 HydrophobicContact CD1-CG 3.89Å; I212-M226 HydrophobicContact CG1-CG 4.09Å; I212-M226 HydrophobicContact CG2-CG 4.25Å; L217-M226 HydrophobicContact CD2-CE 4.08Å; L217-M226 HydrophobicContact CD2-CG 4.24Å; N222-M226 WeakPolarHBondContact O-CB 3.23Å; N222-M226 PolarHBondContact O-N 3.11Å; M223-M226 HydrophobicContact CE-CE 4.13Å; M223-M226 PolarHBondContact O-N 2.82Å; E224-M226 PolarHBondContact O-N 2.75Å; M226-T228 VanDerWaalsContact C-N 3.27Å; M226-T228 PolarHBondContact O-N 2.94Å; M226-I229 PolarHBondContact O-N 2.86Å; M226-M287 HydrophobicContact CE-CB 4.48Å; M226-M287 HydrophobicContact CE-CG 4.34Å; M226-M287 HydrophobicContact SD-CB 4.35Å; M226-M287 HydrophobicContact SD-CG 4.1Å; M226-A290 HydrophobicContact CE-CB 3.99Å; M226-R291 HydrophobicContact CE-CG 4.19Å; M226-R291 PolarHBondContact O-NH1 3.33Å; M226-R291 VanDerWaalsContact O-NH1 3.09Å; M226-R291 HydrophobicContact SD-CG 3.93Å
227K98.6Very high98.6Very high72 Ų7239.4 Ų39.431%0.31321%0.209SC..Hα-helixtrans-66.1-25.5177.3-69.9172.1-164.2179.70113.4M223 E224 A225 I229 A290 R291M223-K227 WeakPolarHBondContact O-CG 3.34Å; M223-K227 PolarHBondContact O-N 2.86Å; M223-K227 VanDerWaalsContact O-N 3.12Å; E224-K227 PolarHBondContact O-N 2.81Å; E224-K227 WeakPolarHBondContact OE1-CE 3.25Å; E224-K227 IonicContact OE1-NZ 2.72Å; E224-K227 PolarHBondContact OE1-NZ 2.8Å; E224-K227 IonicContact OE2-NZ 3.13Å; A225-K227 VanDerWaalsContact C-N 3.29Å; A225-K227 PolarHBondContact O-N 2.97Å; K227-I229 VanDerWaalsContact C-N 3.26Å; K227-I229 PolarHBondContact O-N 3.24Å; K227-A290 WeakPolarHBondContact CE-O 3.46Å; K227-R291 HydrophobicContact CG-CG 4.23Å; K227-R291 PolarHBondContact O-NH1 2.98Å; K227-R291 VanDerWaalsContact O-NH1 3.12Å
228T98.8Very high98.6Very high75 Ų7539.4 Ų39.446%0.4621%0.209SC..Hα-helixtrans-76.5-15.6179.8720000113.1A197 E224 A225 M226A197-T228 HydrophobicContact CB-CG2 3.84Å; E224-T228 WeakPolarHBondContact O-CG2 3.49Å; E224-T228 PolarHBondContact O-N 3.11Å; A225-T228 PolarHBondContact O-N 3.44Å; A225-T228 PolarHBondContact O-OG1 3.17Å; M226-T228 VanDerWaalsContact C-N 3.27Å; M226-T228 PolarHBondContact O-N 2.94Å
229I98.8Very high98.6Very high1 Ų136.4 Ų36.41%0.00520%0.197CC..SBendtrans-74.8127.8-177.3-54.1169.2000109.4A200 I204 I210 I212 M226 K227 R233 L234 R291A200-I229 HydrophobicContact CB-CG1 4.08Å; I204-I229 HydrophobicContact CD1-CG2 4.26Å; I210-I229 HydrophobicContact CB-CD1 4.04Å; I210-I229 HydrophobicContact CB-CG2 4.45Å; I210-I229 HydrophobicContact CD1-CD1 3.85Å; I210-I229 HydrophobicContact CD1-CG1 3.96Å; I210-I229 HydrophobicContact CD1-CG2 4.2Å; I210-I229 HydrophobicContact CG2-CD1 3.67Å; I212-I229 HydrophobicContact CD1-CD1 4.03Å; M226-I229 PolarHBondContact O-N 2.86Å; K227-I229 VanDerWaalsContact C-N 3.26Å; K227-I229 PolarHBondContact O-N 3.24Å; I229-R233 HydrophobicContact CG2-CB 4.1Å; I229-L234 HydrophobicContact CB-CD2 3.85Å; I229-L234 HydrophobicContact CB-CG 4.29Å; I229-L234 HydrophobicContact CD1-CD2 3.97Å; I229-L234 HydrophobicContact CG2-CD2 3.55Å; I229-L234 HydrophobicContact CG2-CG 3.78Å; I229-R291 VanDerWaalsContact O-CZ 3.29Å; I229-R291 PolarHBondContact O-NH1 2.95Å; I229-R291 PolarHBondContact O-NH2 3.06Å
230P98.7Very high98.6Very high44 Ų4433.2 Ų33.229%0.28618%0.178SC..  trans-62.9142.2172.5-21.833.8000111.8I204 E232 R233 L234I204-P230 HydrophobicContact CD1-CG 4.47Å; P230-E232 WeakPolarHBondContact CB-OE1 3.19Å; P230-E232 VanDerWaalsContact CB-OE2 3.3Å; P230-E232 WeakPolarHBondContact CB-OE2 3.36Å; P230-E232 PolarHBondContact O-N 2.84Å; P230-R233 HydrophobicContact CB-CG 4.37Å; P230-R233 WeakPolarHBondContact O-CA 3.27Å; P230-R233 WeakPolarHBondContact O-CB 3.48Å; P230-R233 PolarHBondContact O-N 2.95Å; P230-L234 PolarHBondContact O-N 3.49Å
231T98.6Very high98.7Very high23 Ų2328.8 Ų28.814%0.14116%0.158CC..G310 helixtrans-62.1-32.4-172.9-56.20000112.8R233 L234 R291 E293 L298 T301 N305T231-R233 PolarHBondContact O-N 3.36Å; T231-L234 PolarHBondContact O-N 3.43Å; T231-R291 PolarHBondContact OG1-NH2 2.79Å; T231-E293 PolarHBondContact OG1-OE1 3.48Å; T231-L298 HydrophobicContact CG2-CD1 3.45Å; T231-L298 VanDerWaalsContact CG2-CD1 3.45Å; T231-T301 HydrophobicContact CG2-CG2 3.8Å; T231-N305 PolarHBondContact O-ND2 2.71Å
232E98.6Very high98.7Very high106 Ų10631.2 Ų31.250%0.49515%0.151SC..G310 helixtrans-71.2-2.2173.575.2-77.3-175.700114.4Y209 P230 N305Y209-E232 WeakPolarHBondContact CE1-O 3.37Å; P230-E232 WeakPolarHBondContact CB-OE1 3.19Å; P230-E232 VanDerWaalsContact CB-OE2 3.3Å; P230-E232 WeakPolarHBondContact CB-OE2 3.36Å; P230-E232 PolarHBondContact O-N 2.84Å; E232-N305 PolarHBondContact O-ND2 3.19Å; E232-N305 PolarHBondContact O-OD1 2.69Å
233R98.8Very high98.6Very high45 Ų4531 Ų3117%0.1715%0.151CC..G310 helixtrans-113.8-0.4175-62.1-60.9-177.2174.71.6113.6I204 D207 Y209 I210 I229 P230 T231I204-R233 HydrophobicContact CG1-CB 4.36Å; I204-R233 HydrophobicContact CG1-CG 4.33Å; I204-R233 HydrophobicContact CG2-CG 4.18Å; D207-R233 IonicContact OD1-CZ 3.51Å; D207-R233 IonicContact OD1-NH1 3.88Å; D207-R233 PolarHBondContact OD1-NH1 2.69Å; D207-R233 IonicContact OD1-NH2 3.56Å; D207-R233 PolarHBondContact OD1-NH2 2.71Å; Y209-R233 WeakPolarHBondContact CA-O 3.33Å; I210-R233 PolarHBondContact N-O 3.44Å; I229-R233 HydrophobicContact CG2-CB 4.1Å; P230-R233 HydrophobicContact CB-CG 4.37Å; P230-R233 WeakPolarHBondContact O-CA 3.27Å; P230-R233 WeakPolarHBondContact O-CB 3.48Å; P230-R233 PolarHBondContact O-N 2.95Å; T231-R233 PolarHBondContact O-N 3.36Å
234L98.9Very high98.6Very high0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-86.2142.2179.6-72.8170.6000112.3I212 I229 P230 T231 M287 L298 I302 N305I212-L234 HydrophobicContact CD1-CD2 4.44Å; I212-L234 HydrophobicContact CG1-CD2 3.74Å; I229-L234 HydrophobicContact CB-CD2 3.85Å; I229-L234 HydrophobicContact CB-CG 4.29Å; I229-L234 HydrophobicContact CD1-CD2 3.97Å; I229-L234 HydrophobicContact CG2-CD2 3.55Å; I229-L234 HydrophobicContact CG2-CG 3.78Å; P230-L234 PolarHBondContact O-N 3.49Å; T231-L234 PolarHBondContact O-N 3.43Å; L234-M287 HydrophobicContact CB-CE 4.37Å; L234-M287 HydrophobicContact CD1-CE 3.8Å; L234-M287 HydrophobicContact CD2-CE 4Å; L234-M287 HydrophobicContact CG-CE 4.3Å; L234-L298 HydrophobicContact CD1-CD1 4.37Å; L234-I302 HydrophobicContact CB-CD1 4.28Å; L234-I302 HydrophobicContact CB-CG1 3.95Å; L234-N305 PolarHBondContact O-ND2 3.14Å
235M98.9Very high98.6Very high0 Ų028.2 Ų28.20%015%0.146CC..EExtended strand (participates in β ladder)trans-129.7164.2160.9-63.2-169.3-175.200109.8I26 V189 Y209 I210 I212 V309 F310I26-M235 HydrophobicContact CD1-CB 3.65Å; I26-M235 HydrophobicContact CD1-CG 4.48Å; I26-M235 HydrophobicContact CD1-SD 3.99Å; I26-M235 HydrophobicContact CG1-CB 4.46Å; I26-M235 HydrophobicContact CG2-CB 4.49Å; I26-M235 HydrophobicContact CG2-SD 4.16Å; V189-M235 HydrophobicContact CB-SD 4.03Å; V189-M235 HydrophobicContact CG2-CB 4.34Å; V189-M235 HydrophobicContact CG2-CG 4.39Å; V189-M235 HydrophobicContact CG2-SD 3.89Å; Y209-M235 HydrophobicContact CD1-CE 3.72Å; Y209-M235 HydrophobicContact CD1-CG 4.35Å; Y209-M235 HydrophobicContact CD2-CE 4.14Å; Y209-M235 HydrophobicContact CE1-CE 4.33Å; Y209-M235 HydrophobicContact CG-CE 3.61Å; I210-M235 PolarHBondContact O-N 3.33Å; I212-M235 PolarHBondContact N-O 2.89Å; M235-V309 HydrophobicContact CE-CB 3.66Å; M235-V309 HydrophobicContact CE-CG1 4.11Å; M235-V309 HydrophobicContact CE-CG2 3.48Å; M235-V309 VanDerWaalsContact CE-CG2 3.48Å; M235-F310 HydrophobicContact CE-CD2 4.34Å; M235-F310 HydrophobicContact CE-CE2 3.88Å; M235-F310 HydrophobicContact SD-CD2 4.33Å; M235-F310 HydrophobicContact SD-CE2 3.63Å
236I98.9Very high98.4Very high2 Ų233.5 Ų33.51%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-131144.5-177.4-159174.6000111.4I26 I212 I280 V283 L284 M287 I302I26-I236 PolarHBondContact N-O 3.42Å; I212-I236 WeakPolarHBondContact O-CA 3.2Å; I236-I280 HydrophobicContact CD1-CG1 4.16Å; I236-I280 HydrophobicContact CG1-CG1 4.15Å; I236-I280 HydrophobicContact CG2-CD1 3.83Å; I236-I280 HydrophobicContact CG2-CG1 3.95Å; I236-V283 HydrophobicContact CD1-CB 3.67Å; I236-V283 HydrophobicContact CD1-CG1 3.63Å; I236-V283 HydrophobicContact CG1-CB 3.9Å; I236-V283 HydrophobicContact CG1-CG1 3.49Å; I236-V283 VanDerWaalsContact CG1-CG1 3.49Å; I236-L284 HydrophobicContact CD1-CB 3.95Å; I236-M287 HydrophobicContact CD1-SD 3.86Å; I236-M287 HydrophobicContact CG1-SD 4.06Å; I236-I302 HydrophobicContact CB-CG2 4.07Å; I236-I302 HydrophobicContact CG2-CG2 3.73Å
237E98.9Very high98.2Very high0 Ų041 Ų410%021%0.208CC..  trans-151.3169.917962.9-154.3131.100112.1D25 I26 G27 H191 S192 G211 I212 N213D25-E237 WeakPolarHBondContact OD1-CA 3.23Å; D25-E237 WeakPolarHBondContact OD1-CB 3.3Å; I26-E237 HydrophobicContact CG1-CB 3.66Å; I26-E237 HydrophobicContact CG1-CG 4.26Å; G27-E237 WeakPolarHBondContact CA-OE2 3.46Å; H191-E237 WeakPolarHBondContact CA-OE1 3.08Å; H191-E237 WeakPolarHBondContact CB-OE1 3.17Å; H191-E237 IonicContact ND1-OE2 3.16Å; S192-E237 PolarHBondContact N-OE1 3.41Å; G211-E237 WeakPolarHBondContact CA-OE1 3.47Å; I212-E237 PolarHBondContact O-N 3.33Å; N213-E237 WeakPolarHBondContact CA-O 3.24Å; N213-E237 HydrophobicContact CB-CG 3.69Å; N213-E237 WeakPolarHBondContact CB-O 3.42Å
238T98.9Very high98.1Very high0 Ų043.5 Ų43.50%023%0.229CC..  trans-104.7-29.7175.7620000113.9D25 A240 N275 I280D25-T238 PolarHBondContact OD1-N 3.47Å; D25-T238 WeakPolarHBondContact OD2-CB 2.82Å; D25-T238 VanDerWaalsContact OD2-CG2 3.26Å; D25-T238 WeakPolarHBondContact OD2-CG2 3.12Å; D25-T238 PolarHBondContact OD2-OG1 2.7Å; T238-A240 PolarHBondContact O-N 3.1Å; T238-A240 VanDerWaalsContact OG1-CB 3.3Å; T238-A240 WeakPolarHBondContact OG1-CB 3.42Å; T238-A240 PolarHBondContact OG1-N 2.91Å; T238-N275 PolarHBondContact O-ND2 3.29Å; T238-N275 VanDerWaalsContact O-ND2 3.11Å; T238-I280 HydrophobicContact CG2-CB 3.66Å; T238-I280 HydrophobicContact CG2-CG1 4.21Å
239D98.7Very high98Very high27 Ų2741 Ų4114%0.14421%0.212CC..  trans5128.1-164.1-168.829.2000111.6G27 N29 W242 C243G27-D239 WeakPolarHBondContact O-CA 3.47Å; G27-D239 PolarHBondContact O-N 3.24Å; N29-D239 PolarHBondContact ND2-O 3.11Å; N29-D239 PolarHBondContact ND2-OD1 3.45Å; D239-W242 CarbonylContact O-C 3.56Å; D239-W242 WeakPolarHBondContact O-CA 3.28Å; D239-W242 VanDerWaalsContact O-CB 3.23Å; D239-W242 WeakPolarHBondContact O-CB 3.27Å; D239-W242 PolarHBondContact O-N 3.46Å; D239-C243 HydrophobicContact CB-CB 4.12Å; D239-C243 PolarHBondContact OD2-SG 2.96Å; D239-C243 VanDerWaalsContact OD2-SG 3.36Å
240A98.7Very high98Very high0 Ų041.8 Ų41.80%022%0.218CC..THydrogen-bonded Turntrans-60.8140.1-177.100000110V28 N29 F35 T238 W242 N275V28-A240 HydrophobicContact CG2-CB 4.36Å; N29-A240 WeakPolarHBondContact CA-O 3.35Å; N29-A240 VanDerWaalsContact CB-O 3.24Å; N29-A240 WeakPolarHBondContact CB-O 3.36Å; N29-A240 PolarHBondContact N-O 3.23Å; N29-A240 PolarHBondContact ND2-O 2.96Å; N29-A240 VanDerWaalsContact ND2-O 3.11Å; F35-A240 HydrophobicContact CZ-CB 3.89Å; T238-A240 PolarHBondContact O-N 3.1Å; T238-A240 VanDerWaalsContact OG1-CB 3.3Å; T238-A240 WeakPolarHBondContact OG1-CB 3.42Å; T238-A240 PolarHBondContact OG1-N 2.91Å; A240-W242 VanDerWaalsContact C-N 3.35Å; A240-N275 HydrophobicContact CB-CB 4.15Å
241P98.5Very high97.8Very high5 Ų539.7 Ų39.73%0.03221%0.205CC..THydrogen-bonded Turncis-84.15.414.334.4-36.4000115.6D32 M34 F35 R274 N275D32-P241 HydrophobicContact CB-CG 4Å; M34-P241 HydrophobicContact CB-CB 4.45Å; M34-P241 HydrophobicContact CB-CG 4.39Å; M34-P241 HydrophobicContact SD-CB 4.1Å; M34-P241 HydrophobicContact SD-CG 4.01Å; F35-P241 HydrophobicContact CE1-CB 3.97Å; F35-P241 HydrophobicContact CE2-CB 4.46Å; F35-P241 HydrophobicContact CZ-CB 3.78Å; F35-P241 HydrophobicContact CZ-CG 4.32Å; P241-R274 HydrophobicContact CB-CG 3.85Å; P241-N275 WeakPolarHBondContact CA-O 3.32Å; P241-N275 VanDerWaalsContact O-CB 3.32Å; P241-N275 WeakPolarHBondContact O-CB 3.1Å; P241-N275 PolarHBondContact O-N 3.12Å
242W98.2Very high97.8Very high123 Ų12340.1 Ų40.147%0.46621%0.209SC..SBendtrans-89.2-177.2-179.8-40.2111.5000112.3M34 D239 A240 G244 N275M34-W242 HydrophobicContact CE-CH2 3.46Å; M34-W242 VanDerWaalsContact CE-CH2 3.46Å; M34-W242 HydrophobicContact CE-CZ2 4.3Å; M34-W242 HydrophobicContact CE-CZ3 3.8Å; D239-W242 CarbonylContact O-C 3.56Å; D239-W242 WeakPolarHBondContact O-CA 3.28Å; D239-W242 VanDerWaalsContact O-CB 3.23Å; D239-W242 WeakPolarHBondContact O-CB 3.27Å; D239-W242 PolarHBondContact O-N 3.46Å; A240-W242 VanDerWaalsContact C-N 3.35Å; W242-G244 PolarHBondContact O-N 3.37Å; W242-N275 WeakPolarHBondContact O-CB 3.19Å; W242-N275 VanDerWaalsContact O-CG 3.3Å; W242-N275 PolarHBondContact O-ND2 2.98Å
243C98.2Very high97.7Very high19 Ų1940.9 Ų40.913%0.12821%0.21CC..  trans5422.7169.2-62.90000117.8G214 C215 D239 V245G214-C243 CarbonylContact C-O 3.5Å; G214-C243 WeakPolarHBondContact CA-O 3.3Å; G214-C243 PolarHBondContact N-O 3.46Å; C215-C243 HydrophobicContact CB-CB 3.93Å; C215-C243 WeakPolarHBondContact CB-SG 3.42Å; C215-C243 VanDerWaalsContact SG-CA 3.52Å; C215-C243 WeakPolarHBondContact SG-CB 3.44Å; C215-C243 CovalentContact SG-SG 2.05Å; C215-C243 PolarHBondContact SG-SG 3.34Å; D239-C243 HydrophobicContact CB-CB 4.12Å; D239-C243 PolarHBondContact OD2-SG 2.96Å; D239-C243 VanDerWaalsContact OD2-SG 3.36Å; C243-V245 PolarHBondContact O-N 3.1Å
244G97.4Very high97.6Very high20 Ų2042 Ų4221%0.20622%0.215CC..PPolyproline II helixtrans-58.4139.4168.500000111.7W242 K246 H249 N275W242-G244 PolarHBondContact O-N 3.37Å; G244-K246 PolarHBondContact O-N 2.92Å; G244-H249 PolarHBondContact O-CE1 2.65Å; G244-N275 PolarHBondContact N-ND2 3Å
245V97.5Very high97.6Very high25 Ų2543.9 Ų43.915%0.15223%0.226CC..PPolyproline II helixtrans-68.1116.7176.6-178.30000109C243 H249 V255C243-V245 PolarHBondContact O-N 3.1Å; V245-H249 HydrophobicContact CG1-CB 4.47Å; V245-V255 HydrophobicContact CB-CG2 4.43Å; V245-V255 HydrophobicContact CG1-CG2 4Å
246K95Very high97.5Very high115 Ų11551.8 Ų51.850%0.526%0.261SS..PPolyproline II helixtrans-99.1154.4-178.6-57.5-175.9178.8-178.90110.8G244 T248 H249 S252G244-K246 PolarHBondContact O-N 2.92Å; K246-T248 PolarHBondContact O-N 3.45Å; K246-H249 PolarHBondContact N-ND1 3Å; K246-H249 VanDerWaalsContact O-CB 3.28Å; K246-H249 WeakPolarHBondContact O-CB 3.33Å; K246-H249 PolarHBondContact O-N 3.36Å; K246-S252 VanDerWaalsContact O-CB 3.23Å; K246-S252 WeakPolarHBondContact O-CB 3.29Å
247N94.5Very high97.4Very high159 Ų15953.8 Ų53.885%0.8527%0.273SS*.THydrogen-bonded Turntrans-56.5-18.3177-64.3-3.7000114.6S252N247-S252 PolarHBondContact O-OG 3.37Å
248T95.9Very high97.3Very high125 Ų12559.3 Ų59.377%0.76731%0.307SS*.THydrogen-bonded Turntrans-87.1-8.1175.954.50000113.4K246K246-T248 PolarHBondContact O-N 3.45Å
249H98.1Very high97.2Very high23 Ų2361 Ų6111%0.10632%0.315CS..SBendtrans-83.7145.8179.3-61.3-179.3000110.4K218 G244 V245 K246 G251 S252K218-H249 WeakPolarHBondContact O-CA 3.28Å; G244-H249 PolarHBondContact O-CE1 2.65Å; V245-H249 HydrophobicContact CG1-CB 4.47Å; K246-H249 PolarHBondContact N-ND1 3Å; K246-H249 VanDerWaalsContact O-CB 3.28Å; K246-H249 WeakPolarHBondContact O-CB 3.33Å; K246-H249 PolarHBondContact O-N 3.36Å; H249-G251 PolarHBondContact O-N 3.47Å; H249-S252 WeakPolarHBondContact O-CB 3.18Å; H249-S252 PolarHBondContact O-N 3.12Å; H249-S252 VanDerWaalsContact O-N 3.09Å; H249-S252 PolarHBondContact O-OG 2.87Å
250A97.5Very high97.1Very high16 Ų1663.8 Ų63.813%0.13233%0.334CS..G310 helixtrans-55.5-39.5176.200000112.6K218 E220 M223 S252 K253K218-A250 PolarHBondContact O-N 3.4Å; E220-A250 HydrophobicContact CG-CB 4.02Å; E220-A250 WeakPolarHBondContact OE1-CB 3.29Å; M223-A250 HydrophobicContact CG-CB 4.02Å; A250-S252 VanDerWaalsContact C-N 3.29Å; A250-S252 PolarHBondContact O-N 2.55Å; A250-K253 WeakPolarHBondContact O-CE 3.48Å
251G95.8Very high97.1Very high0 Ų067 Ų670%035%0.354CS..G310 helixtrans-66.8-23.1178.800000114.9L217 H249 K253 Y254 V286L217-G251 PolarHBondContact O-N 3.22Å; H249-G251 PolarHBondContact O-N 3.47Å; G251-K253 PolarHBondContact O-N 2.98Å; G251-Y254 PolarHBondContact O-N 3.26Å; G251-V286 VanDerWaalsContact O-CG2 3.29Å; G251-V286 WeakPolarHBondContact O-CG2 3.24Å
252S97.1Very high97Very high32 Ų3270.5 Ų70.522%0.22437%0.368CS..G310 helixtrans-58.8-28.2-169.364.20000114.9K246 N247 H249 A250 Y254 V255K246-S252 VanDerWaalsContact O-CB 3.23Å; K246-S252 WeakPolarHBondContact O-CB 3.29Å; N247-S252 PolarHBondContact O-OG 3.37Å; H249-S252 WeakPolarHBondContact O-CB 3.18Å; H249-S252 PolarHBondContact O-N 3.12Å; H249-S252 VanDerWaalsContact O-N 3.09Å; H249-S252 PolarHBondContact O-OG 2.87Å; A250-S252 VanDerWaalsContact C-N 3.29Å; A250-S252 PolarHBondContact O-N 2.55Å; S252-Y254 PolarHBondContact O-N 2.82Å; S252-V255 PolarHBondContact O-N 2.8Å
253K96.8Very high97Very high122 Ų12273.1 Ų73.153%0.5338%0.383SS..G310 helixtrans-63.4-18.917767.9-162.7176.3-163.80114.1E220 A250 G251E220-K253 IonicContact OE1-NZ 2.69Å; E220-K253 PolarHBondContact OE1-NZ 2.91Å; E220-K253 IonicContact OE2-NZ 2.88Å; A250-K253 WeakPolarHBondContact O-CE 3.48Å; G251-K253 PolarHBondContact O-N 2.98Å
254Y97.9Very high96.9Very high70 Ų7080.8 Ų80.828%0.27541%0.414SS..G310 helixtrans-97.6-9.5-178.5-58.6-62.7000114M223 G251 S252 K256 V286 A289 A290M223-Y254 HydrophobicContact CE-CD2 4.31Å; M223-Y254 HydrophobicContact CE-CE2 4.1Å; G251-Y254 PolarHBondContact O-N 3.26Å; S252-Y254 PolarHBondContact O-N 2.82Å; Y254-K256 PolarHBondContact O-N 3.1Å; Y254-V286 HydrophobicContact CD2-CG1 4.27Å; Y254-A289 HydrophobicContact CD1-CB 3.53Å; Y254-A289 HydrophobicContact CE1-CB 4.24Å; Y254-A289 HydrophobicContact CG-CB 3.78Å; Y254-A290 HydrophobicContact CE2-CB 4.33Å
255V97.4Very high96.9Very high38 Ų3882.7 Ų82.723%0.2342%0.415CS..  trans-69126.4179.1178.30000109.7V245 S252 Q282 V286V245-V255 HydrophobicContact CB-CG2 4.43Å; V245-V255 HydrophobicContact CG1-CG2 4Å; S252-V255 PolarHBondContact O-N 2.8Å; V255-Q282 HydrophobicContact CG1-CB 4.09Å; V255-Q282 HydrophobicContact CG1-CG 3.8Å; V255-Q282 HydrophobicContact CG2-CB 4.19Å; V255-V286 HydrophobicContact CG2-CG2 3.79Å
256K97.1Very high96.9Very high166 Ų16685.5 Ų85.572%0.72243%0.427SS*.  trans-113.2-40.6179.7-57.9174.8-174.81700111.1Y254 E285Y254-K256 PolarHBondContact O-N 3.1Å; K256-E285 PolarHBondContact N-OE2 3.23Å
257T97.1Very high97Very high44 Ų4482.8 Ų82.827%0.2743%0.426SS..  trans-82.1128.5-178.4-620000110.9F259 I281 Q282 E285T257-F259 HydrophobicContact CG2-CE2 4.16Å; T257-F259 HydrophobicContact CG2-CZ 4.2Å; T257-I281 HydrophobicContact CG2-CG2 3.9Å; T257-Q282 PolarHBondContact O-NE2 2.96Å; T257-E285 WeakPolarHBondContact CB-OE1 3.21Å; T257-E285 PolarHBondContact N-OE1 3.26Å; T257-E285 PolarHBondContact N-OE2 3.33Å; T257-E285 PolarHBondContact OG1-OE1 2.57Å
258T96.1Very high96.9Very high117 Ų11777.7 Ų77.772%0.71841%0.411SS*.  trans-127.3150.6178.5600000110.7
259F96.9Very high97.1Very high35 Ų3573.7 Ų73.715%0.15438%0.383CS..  trans-114143.4178.8-62.6-91000109.9I59 T257 T261 C278 H279 I281I59-F259 HydrophobicContact CG1-CZ 4.46Å; T257-F259 HydrophobicContact CG2-CE2 4.16Å; T257-F259 HydrophobicContact CG2-CZ 4.2Å; F259-T261 PolarHBondContact O-N 3.49Å; F259-T261 PolarHBondContact O-OG1 3.47Å; F259-C278 HydrophobicContact CE1-CB 3.94Å; F259-C278 HydrophobicContact CZ-CB 3.85Å; F259-C278 VanDerWaalsContact CZ-O 3.32Å; F259-C278 WeakPolarHBondContact CZ-O 3.25Å; F259-H279 AromaticContact CD2-CD2 3.48Å; F259-H279 VanDerWaalsContact CD2-CD2 3.48Å; F259-H279 WeakPolarHBondContact CD2-CD2 3.08Å; F259-H279 AromaticContact CD2-NE2 3.61Å; F259-H279 AromaticContact CE2-CD2 3.74Å; F259-I281 HydrophobicContact CE2-CG2 4.07Å; F259-I281 HydrophobicContact CZ-CG2 4.08Å
260P97.7Very high97.1Very high85 Ų8572.7 Ų72.755%0.55238%0.379SS*.  trans-52.9115.6171.5-25.334.6000110.2H269 C270P260-H269 CarbonylContact O-C 3.6Å; P260-H269 VanDerWaalsContact O-CA 3.32Å; P260-H269 WeakPolarHBondContact O-CA 3.26Å; P260-H269 WeakPolarHBondContact O-CB 3.38Å; P260-C270 PolarHBondContact O-N 3.31Å
261T97.6Very high97.1Very high68 Ų6872.9 Ų72.942%0.41738%0.378SS..EExtended strand (participates in β ladder)trans-129.4136.7-170.4-58.50000110.9F259 C270 K272F259-T261 PolarHBondContact O-N 3.49Å; F259-T261 PolarHBondContact O-OG1 3.47Å; T261-C270 CarbonylContact C-O 3.43Å; T261-C270 VanDerWaalsContact CA-O 3.32Å; T261-C270 WeakPolarHBondContact CA-O 3.44Å; T261-C270 HydrophobicContact CG2-CB 4.34Å; T261-K272 HydrophobicContact CG2-CB 4.1Å
262K97.9Very high97.1Very high78 Ų7878.3 Ų78.334%0.33940%0.401SS..EExtended strand (participates in β ladder)trans-124.1148.9179-64.4-72178.5111.90111.5K264 E266 H269 C270 K272K262-K264 WeakPolarHBondContact CB-O 3.26Å; K262-E266 HydrophobicContact CB-CB 4.49Å; K262-E266 WeakPolarHBondContact CE-OE2 3.38Å; K262-E266 HydrophobicContact CG-CB 4.1Å; K262-E266 IonicContact NZ-OE1 3.78Å; K262-E266 PolarHBondContact NZ-OE1 3.22Å; K262-E266 IonicContact NZ-OE2 3.31Å; K262-E266 PolarHBondContact NZ-OE2 3.35Å; K262-H269 HydrophobicContact CB-CB 4.46Å; K262-H269 WeakPolarHBondContact CE-NE2 3.49Å; K262-H269 HydrophobicContact CG-CB 3.91Å; K262-C270 PolarHBondContact N-O 2.89Å; K262-K272 WeakPolarHBondContact O-CB 3.13Å; K262-K272 PolarHBondContact O-N 2.91Å
263K96.8Very high97Very high179 Ų17983.1 Ų83.178%0.77842%0.424SS*.SBendtrans-73.8-33.7175.4-176.4179.7177.6-177.90112.5
264K96.8Very high97Very high179 Ų17977.6 Ų77.678%0.77840%0.4SS*.SBendtrans-106.5142.5169.3-66.7-174.6178.5-1760107K262 E266K262-K264 WeakPolarHBondContact CB-O 3.26Å; K264-E266 PolarHBondContact O-N 2.84Å
265W97.9Very high97.1Very high60 Ų6074.8 Ų74.823%0.22739%0.39CS..  trans-57.3138.6-178.7-177.191.2000111.3H45 D46 D48 A267 L271H45-W265 HydrophobicContact CB-CB 3.39Å; H45-W265 HydrophobicContact CB-CD2 3.8Å; H45-W265 HydrophobicContact CB-CE3 4.14Å; H45-W265 HydrophobicContact CB-CG 3.46Å; H45-W265 VanDerWaalsContact CB-CG 3.46Å; H45-W265 AromaticContact CD2-CD1 3.95Å; H45-W265 AromaticContact CE1-CD1 3.52Å; H45-W265 AromaticContact CE1-NE1 3.9Å; H45-W265 AromaticContact CG-CD1 3.55Å; H45-W265 AromaticContact CG-CG 3.46Å; H45-W265 VanDerWaalsContact CG-CG 3.46Å; H45-W265 AromaticContact ND1-CD1 3.28Å; H45-W265 VanDerWaalsContact ND1-CD1 3.28Å; H45-W265 AromaticContact ND1-CG 3.61Å; H45-W265 AromaticContact ND1-NE1 3.54Å; H45-W265 AromaticContact NE2-CD1 3.94Å; D46-W265 HydrophobicContact CB-CH2 3.75Å; D46-W265 HydrophobicContact CB-CZ2 4.12Å; D46-W265 HydrophobicContact CB-CZ3 4.15Å; D48-W265 HydrophobicContact CB-CZ2 4.07Å; D48-W265 PolarHBondContact OD2-NE1 3.01Å; D48-W265 VanDerWaalsContact OD2-NE1 3.08Å; W265-A267 HydrophobicContact CH2-CB 4.03Å; W265-A267 HydrophobicContact CZ2-CB 4.37Å; W265-L271 HydrophobicContact CB-CD1 4.26Å
266E97.8Very high97.1Very high85 Ų8573 Ų7340%0.39738%0.379SS..  trans-149.1131.1176.8-172179145.600107.1K262 K264 G268 H269K262-E266 HydrophobicContact CB-CB 4.49Å; K262-E266 WeakPolarHBondContact CE-OE2 3.38Å; K262-E266 HydrophobicContact CG-CB 4.1Å; K262-E266 IonicContact NZ-OE1 3.78Å; K262-E266 PolarHBondContact NZ-OE1 3.22Å; K262-E266 IonicContact NZ-OE2 3.31Å; K262-E266 PolarHBondContact NZ-OE2 3.35Å; K264-E266 PolarHBondContact O-N 2.84Å; E266-G268 PolarHBondContact O-N 3.12Å; E266-H269 WeakPolarHBondContact O-CB 2.99Å; E266-H269 PolarHBondContact O-N 2.77Å; E266-H269 VanDerWaalsContact O-N 3.14Å; E266-H269 IonicContact OE1-CE1 3.49Å; E266-H269 PolarHBondContact OE1-CE1 3.05Å; E266-H269 VanDerWaalsContact OE1-CE1 3.25Å; E266-H269 IonicContact OE1-ND1 2.68Å
267A95.6Very high97.2Very high58 Ų5865.1 Ų65.148%0.47935%0.345SS..THydrogen-bonded Turntrans-53142.2-179.800000111.6W265 H269W265-A267 HydrophobicContact CH2-CB 4.03Å; W265-A267 HydrophobicContact CZ2-CB 4.37Å; A267-H269 VanDerWaalsContact C-N 3.26Å; A267-H269 PolarHBondContact O-N 3.44Å; A267-H269 PolarHBondContact O-ND1 3.09Å; A267-H269 VanDerWaalsContact O-ND1 3.11Å
268G94.1Very high97.3Very high51 Ų5163 Ų6353%0.52633%0.332SS..THydrogen-bonded Turntrans76.20.8-177.500000115.8E266E266-G268 PolarHBondContact O-N 3.12Å
269H98.3Very high97.4Very high41 Ų4158.3 Ų58.319%0.1930%0.302CS..SBendtrans-115.9152.3177.6-61.577.4000111.7P260 K262 E266 A267P260-H269 CarbonylContact O-C 3.6Å; P260-H269 VanDerWaalsContact O-CA 3.32Å; P260-H269 WeakPolarHBondContact O-CA 3.26Å; P260-H269 WeakPolarHBondContact O-CB 3.38Å; K262-H269 HydrophobicContact CB-CB 4.46Å; K262-H269 WeakPolarHBondContact CE-NE2 3.49Å; K262-H269 HydrophobicContact CG-CB 3.91Å; E266-H269 WeakPolarHBondContact O-CB 2.99Å; E266-H269 PolarHBondContact O-N 2.77Å; E266-H269 VanDerWaalsContact O-N 3.14Å; E266-H269 IonicContact OE1-CE1 3.49Å; E266-H269 PolarHBondContact OE1-CE1 3.05Å; E266-H269 VanDerWaalsContact OE1-CE1 3.25Å; E266-H269 IonicContact OE1-ND1 2.68Å; A267-H269 VanDerWaalsContact C-N 3.26Å; A267-H269 PolarHBondContact O-N 3.44Å; A267-H269 PolarHBondContact O-ND1 3.09Å; A267-H269 VanDerWaalsContact O-ND1 3.11Å
270C98.4Very high97.5Very high3 Ų356.7 Ų56.72%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-69.6152.3163.4-59.90000110P260 T261 K262P260-C270 PolarHBondContact O-N 3.31Å; T261-C270 CarbonylContact C-O 3.43Å; T261-C270 VanDerWaalsContact CA-O 3.32Å; T261-C270 WeakPolarHBondContact CA-O 3.44Å; T261-C270 HydrophobicContact CG2-CB 4.34Å; K262-C270 PolarHBondContact N-O 2.89Å
271L98.3Very high97.6Very high20 Ų2053.5 Ų53.511%0.10527%0.273CS..EExtended strand (participates in β ladder)trans-92.2131172.9-174.766.9000110.3Y39 W265 D273 R274Y39-L271 WeakPolarHBondContact OH-CD2 3.32Å; W265-L271 HydrophobicContact CB-CD1 4.26Å; L271-D273 PolarHBondContact O-N 3.32Å; L271-R274 HydrophobicContact CB-CB 4.27Å; L271-R274 PolarHBondContact O-N 3.32Å
272K96.1Very high97.6Very high114 Ų11451.4 Ų51.450%0.49626%0.258SS..THydrogen-bonded Turntrans-56.1136.5178.1-170.5-173.6170.7177.70110.7T261 K262 R274T261-K272 HydrophobicContact CG2-CB 4.1Å; K262-K272 WeakPolarHBondContact O-CB 3.13Å; K262-K272 PolarHBondContact O-N 2.91Å; K272-R274 PolarHBondContact O-N 2.98Å
273D93.9Very high97.7Very high132 Ų13247.9 Ų47.971%0.70624%0.243SC*.THydrogen-bonded Turntrans67.46.7178.1-53-49000115L271L271-D273 PolarHBondContact O-N 3.32Å
274R97.9Very high97.7Very high7 Ų739.4 Ų39.43%0.02621%0.207CC..  trans-104.9111.6165.9-172.2-175.469.1-177.1-0.4108.6M34 F35 Y39 H45 D48 P241 L271 K272 E276M34-R274 PolarHBondContact O-NH1 3.41Å; F35-R274 HydrophobicContact CE1-CG 4.31Å; Y39-R274 WeakPolarHBondContact OH-CD 3.08Å; H45-R274 PolarHBondContact CE1-NH1 3.44Å; D48-R274 IonicContact OD1-CZ 2.81Å; D48-R274 IonicContact OD1-NH1 3.55Å; D48-R274 PolarHBondContact OD1-NH1 3.07Å; D48-R274 IonicContact OD1-NH2 3.62Å; D48-R274 PolarHBondContact OD1-NH2 3.33Å; D48-R274 IonicContact OD2-CZ 3.85Å; D48-R274 IonicContact OD2-NH1 2.86Å; D48-R274 PolarHBondContact OD2-NH1 3.44Å; D48-R274 IonicContact OD2-NH2 2.75Å; D48-R274 PolarHBondContact OD2-NH2 3.11Å; P241-R274 HydrophobicContact CB-CG 3.85Å; L271-R274 HydrophobicContact CB-CB 4.27Å; L271-R274 PolarHBondContact O-N 3.32Å; K272-R274 PolarHBondContact O-N 2.98Å; R274-E276 IonicContact CZ-OE1 3.65Å; R274-E276 IonicContact NE-OE1 3.33Å; R274-E276 IonicContact NH2-OE1 3.1Å; R274-E276 PolarHBondContact NH2-OE1 3.48Å
275N98.8Very high97.8Very high11 Ų1132 Ų326%0.05918%0.175CC..  trans-68.7159.7173.9-161.723.4000110.3F35 T238 A240 P241 W242 G244 H279F35-N275 WeakPolarHBondContact CE1-O 3.43Å; T238-N275 PolarHBondContact O-ND2 3.29Å; T238-N275 VanDerWaalsContact O-ND2 3.11Å; A240-N275 HydrophobicContact CB-CB 4.15Å; P241-N275 WeakPolarHBondContact CA-O 3.32Å; P241-N275 VanDerWaalsContact O-CB 3.32Å; P241-N275 WeakPolarHBondContact O-CB 3.1Å; P241-N275 PolarHBondContact O-N 3.12Å; W242-N275 WeakPolarHBondContact O-CB 3.19Å; W242-N275 VanDerWaalsContact O-CG 3.3Å; W242-N275 PolarHBondContact O-ND2 2.98Å; G244-N275 PolarHBondContact N-ND2 3Å; N275-H279 VanDerWaalsContact OD1-CB 3.25Å; N275-H279 WeakPolarHBondContact OD1-CB 3.29Å; N275-H279 PolarHBondContact OD1-ND1 3.48Å; N275-H279 VanDerWaalsContact OD1-ND1 3.17Å
276E98.8Very high97.9Very high0 Ų029.2 Ų29.20%016%0.164CC..  trans-145.9156.4-178.1-63.4-174.2-175.400109.5F35 I52 R55 R274 C278 H279F35-E276 HydrophobicContact CE1-CG 4.47Å; I52-E276 HydrophobicContact CG1-CG 4.48Å; I52-E276 HydrophobicContact CG2-CB 4.17Å; I52-E276 HydrophobicContact CG2-CG 4.15Å; R55-E276 IonicContact CZ-OE1 3.76Å; R55-E276 IonicContact CZ-OE2 2.77Å; R55-E276 IonicContact NE-OE2 3.66Å; R55-E276 PolarHBondContact NE-OE2 2.82Å; R55-E276 IonicContact NH2-OE1 3.54Å; R55-E276 PolarHBondContact NH2-OE1 3.06Å; R55-E276 IonicContact NH2-OE2 3.52Å; R55-E276 PolarHBondContact NH2-OE2 2.69Å; R274-E276 IonicContact CZ-OE1 3.65Å; R274-E276 IonicContact NE-OE1 3.33Å; R274-E276 IonicContact NH2-OE1 3.1Å; R274-E276 PolarHBondContact NH2-OE1 3.48Å; E276-C278 PolarHBondContact O-N 3.37Å; E276-C278 VanDerWaalsContact O-N 3.11Å; E276-H279 PolarHBondContact N-ND1 3.06Å; E276-H279 WeakPolarHBondContact O-CB 3.32Å; E276-H279 PolarHBondContact O-N 2.78Å; E276-H279 PolarHBondContact O-ND1 3.21Å
277P98.8Very high97.9Very high0 Ų025.1 Ų25.10%015%0.145CC..G310 helixtrans-62.1-24.4-177.1-23.235.5000113.4V28 L30 A56 F64 H279 I280V28-P277 HydrophobicContact CG2-CG 3.66Å; L30-P277 HydrophobicContact CD2-CG 4.18Å; A56-P277 HydrophobicContact CB-CB 3.78Å; F64-P277 HydrophobicContact CD1-CB 4.17Å; F64-P277 HydrophobicContact CD1-CG 4.36Å; F64-P277 HydrophobicContact CE1-CB 3.71Å; F64-P277 HydrophobicContact CE1-CG 4.09Å; P277-H279 PolarHBondContact O-N 3.02Å; P277-I280 WeakPolarHBondContact O-CB 3.48Å; P277-I280 VanDerWaalsContact O-CG2 3.28Å; P277-I280 WeakPolarHBondContact O-CG2 3.18Å; P277-I280 PolarHBondContact O-N 3.2Å; P277-I280 VanDerWaalsContact O-N 3.16Å
278C98.7Very high98.1Very high0 Ų022.6 Ų22.60%012%0.124CC..G310 helixtrans-64.1-21.5174.568.50000113.2R55 A56 I59 F259 E276 I280 I281R55-C278 HydrophobicContact CB-CB 3.92Å; A56-C278 HydrophobicContact CB-CB 4.4Å; I59-C278 HydrophobicContact CG2-CB 4.22Å; F259-C278 HydrophobicContact CE1-CB 3.94Å; F259-C278 HydrophobicContact CZ-CB 3.85Å; F259-C278 VanDerWaalsContact CZ-O 3.32Å; F259-C278 WeakPolarHBondContact CZ-O 3.25Å; E276-C278 PolarHBondContact O-N 3.37Å; E276-C278 VanDerWaalsContact O-N 3.11Å; C278-I280 PolarHBondContact O-N 3.44Å; C278-I281 WeakPolarHBondContact O-CG2 3.5Å
279H98.8Very high98.3Very high19 Ų1921.9 Ų21.99%0.08811%0.113CC..G310 helixtrans-77-0.1177.2-57.7108.9000113.2F259 N275 E276 P277 I281 Q282F259-H279 AromaticContact CD2-CD2 3.48Å; F259-H279 VanDerWaalsContact CD2-CD2 3.48Å; F259-H279 WeakPolarHBondContact CD2-CD2 3.08Å; F259-H279 AromaticContact CD2-NE2 3.61Å; F259-H279 AromaticContact CE2-CD2 3.74Å; N275-H279 VanDerWaalsContact OD1-CB 3.25Å; N275-H279 WeakPolarHBondContact OD1-CB 3.29Å; N275-H279 PolarHBondContact OD1-ND1 3.48Å; N275-H279 VanDerWaalsContact OD1-ND1 3.17Å; E276-H279 PolarHBondContact N-ND1 3.06Å; E276-H279 WeakPolarHBondContact O-CB 3.32Å; E276-H279 PolarHBondContact O-N 2.78Å; E276-H279 PolarHBondContact O-ND1 3.21Å; P277-H279 PolarHBondContact O-N 3.02Å; H279-I281 PolarHBondContact O-N 3.22Å; H279-I281 VanDerWaalsContact O-N 3.17Å; H279-Q282 HydrophobicContact CB-CG 4.5Å; H279-Q282 VanDerWaalsContact O-CB 3.29Å; H279-Q282 WeakPolarHBondContact O-CB 3.46Å; H279-Q282 PolarHBondContact O-N 3.34Å
280I98.8Very high98.3Very high0 Ų020.3 Ų20.30%011%0.107CC..Hα-helixtrans-54.8-31.7171.6-161.2159.6000112.3F23 D25 V61 I236 T238 P277 C278 Q282 V283 L284F23-I280 HydrophobicContact CB-CD1 4.06Å; F23-I280 HydrophobicContact CB-CG2 4.02Å; F23-I280 HydrophobicContact CD1-CD1 4.42Å; F23-I280 HydrophobicContact CD1-CG1 4.17Å; F23-I280 HydrophobicContact CD1-CG2 3.97Å; F23-I280 HydrophobicContact CD2-CG2 3.94Å; F23-I280 HydrophobicContact CE1-CG2 4.44Å; F23-I280 HydrophobicContact CE2-CG2 4.43Å; F23-I280 HydrophobicContact CG-CG2 3.7Å; D25-I280 HydrophobicContact CB-CD1 3.76Å; V61-I280 HydrophobicContact CG2-CG2 3.8Å; I236-I280 HydrophobicContact CD1-CG1 4.16Å; I236-I280 HydrophobicContact CG1-CG1 4.15Å; I236-I280 HydrophobicContact CG2-CD1 3.83Å; I236-I280 HydrophobicContact CG2-CG1 3.95Å; T238-I280 HydrophobicContact CG2-CB 3.66Å; T238-I280 HydrophobicContact CG2-CG1 4.21Å; P277-I280 WeakPolarHBondContact O-CB 3.48Å; P277-I280 VanDerWaalsContact O-CG2 3.28Å; P277-I280 WeakPolarHBondContact O-CG2 3.18Å; P277-I280 PolarHBondContact O-N 3.2Å; P277-I280 VanDerWaalsContact O-N 3.16Å; C278-I280 PolarHBondContact O-N 3.44Å; I280-Q282 PolarHBondContact O-N 2.68Å; I280-V283 WeakPolarHBondContact O-CB 3.27Å; I280-V283 PolarHBondContact O-N 3.47Å; I280-V283 VanDerWaalsContact O-N 3.13Å; I280-L284 PolarHBondContact O-N 3Å; I280-L284 VanDerWaalsContact O-N 3.08Å
281I98.7Very high98.3Very high19 Ų1922.2 Ų22.210%0.09711%0.114CC..Hα-helixtrans-59.7-34.3174.3-172.361.4000111.9F23 I59 T257 F259 C278 H279 V283 L284 E285F23-I281 HydrophobicContact CE2-CD1 4.17Å; F23-I281 HydrophobicContact CZ-CB 4.5Å; F23-I281 HydrophobicContact CZ-CD1 3.64Å; I59-I281 HydrophobicContact CD1-CG1 4.48Å; I59-I281 HydrophobicContact CD1-CG2 4.45Å; I59-I281 HydrophobicContact CG1-CB 3.89Å; I59-I281 HydrophobicContact CG1-CG1 4.28Å; I59-I281 HydrophobicContact CG1-CG2 4Å; T257-I281 HydrophobicContact CG2-CG2 3.9Å; F259-I281 HydrophobicContact CE2-CG2 4.07Å; F259-I281 HydrophobicContact CZ-CG2 4.08Å; C278-I281 WeakPolarHBondContact O-CG2 3.5Å; H279-I281 PolarHBondContact O-N 3.22Å; H279-I281 VanDerWaalsContact O-N 3.17Å; I281-V283 VanDerWaalsContact C-N 3.35Å; I281-L284 HydrophobicContact CD1-CD2 4.1Å; I281-L284 PolarHBondContact O-N 3.13Å; I281-E285 VanDerWaalsContact O-CG 3.28Å; I281-E285 WeakPolarHBondContact O-CG 3.18Å; I281-E285 PolarHBondContact O-N 3.23Å
282Q98.8Very high98.3Very high23 Ų2330 Ų3011%0.10715%0.15CC..Hα-helixtrans-70.8-36.1179.3-57.2-176-28.100110.5V255 T257 H279 I280 L284 E285 V286V255-Q282 HydrophobicContact CG1-CB 4.09Å; V255-Q282 HydrophobicContact CG1-CG 3.8Å; V255-Q282 HydrophobicContact CG2-CB 4.19Å; T257-Q282 PolarHBondContact O-NE2 2.96Å; H279-Q282 HydrophobicContact CB-CG 4.5Å; H279-Q282 VanDerWaalsContact O-CB 3.29Å; H279-Q282 WeakPolarHBondContact O-CB 3.46Å; H279-Q282 PolarHBondContact O-N 3.34Å; I280-Q282 PolarHBondContact O-N 2.68Å; Q282-L284 VanDerWaalsContact C-N 3.35Å; Q282-E285 PolarHBondContact O-N 3.27Å; Q282-V286 WeakPolarHBondContact O-CG2 3.48Å; Q282-V286 PolarHBondContact O-N 3.25Å; Q282-V286 VanDerWaalsContact O-N 3.12Å
283V98.8Very high98.4Very high4 Ų427.5 Ų27.52%0.02414%0.14CC..Hα-helixtrans-63.3-44.4173.5-174.30000109.6I212 L217 I236 I280 I281 E285 V286 M287I212-V283 HydrophobicContact CG2-CG1 4.08Å; L217-V283 HydrophobicContact CD1-CG1 3.81Å; I236-V283 HydrophobicContact CD1-CB 3.67Å; I236-V283 HydrophobicContact CD1-CG1 3.63Å; I236-V283 HydrophobicContact CG1-CB 3.9Å; I236-V283 HydrophobicContact CG1-CG1 3.49Å; I236-V283 VanDerWaalsContact CG1-CG1 3.49Å; I280-V283 WeakPolarHBondContact O-CB 3.27Å; I280-V283 PolarHBondContact O-N 3.47Å; I280-V283 VanDerWaalsContact O-N 3.13Å; I281-V283 VanDerWaalsContact C-N 3.35Å; V283-E285 PolarHBondContact O-N 2.79Å; V283-V286 PolarHBondContact O-N 3.43Å; V283-M287 HydrophobicContact CG1-SD 3.97Å; V283-M287 VanDerWaalsContact O-CG 3.29Å; V283-M287 WeakPolarHBondContact O-CG 3.18Å; V283-M287 PolarHBondContact O-N 2.7Å
284L98.8Very high98.5Very high2 Ų224.9 Ų24.91%0.0113%0.126CC..Hα-helixtrans-61.2-47.1177177.673.9000111.6C21 F23 I236 I280 I281 Q282 V286 M287 A288 P295 L298 A299C21-L284 HydrophobicContact CB-CD2 4.4Å; F23-L284 HydrophobicContact CE1-CB 4.03Å; F23-L284 HydrophobicContact CE1-CD2 3.71Å; F23-L284 HydrophobicContact CE1-CG 4.33Å; F23-L284 HydrophobicContact CZ-CD2 3.72Å; I236-L284 HydrophobicContact CD1-CB 3.95Å; I280-L284 PolarHBondContact O-N 3Å; I280-L284 VanDerWaalsContact O-N 3.08Å; I281-L284 HydrophobicContact CD1-CD2 4.1Å; I281-L284 PolarHBondContact O-N 3.13Å; Q282-L284 VanDerWaalsContact C-N 3.35Å; L284-V286 VanDerWaalsContact C-N 3.27Å; L284-V286 PolarHBondContact O-N 2.94Å; L284-M287 PolarHBondContact O-N 3.49Å; L284-A288 WeakPolarHBondContact O-CB 3.29Å; L284-A288 PolarHBondContact O-N 2.05Å; L284-P295 HydrophobicContact CD2-CB 4.33Å; L284-L298 HydrophobicContact CD1-CB 4.33Å; L284-L298 HydrophobicContact CD1-CD2 4.02Å; L284-L298 HydrophobicContact CD1-CG 3.95Å; L284-A299 HydrophobicContact CD1-CB 3.96Å; L284-A299 HydrophobicContact CD2-CB 3.81Å
285E98.7Very high98.5Very high24 Ų2427 Ų2711%0.11214%0.141CC..Hα-helixtrans-57.2-42.2179.4-76.5172.3162.200111.9K256 T257 I281 Q282 V283 A289K256-E285 PolarHBondContact N-OE2 3.23Å; T257-E285 WeakPolarHBondContact CB-OE1 3.21Å; T257-E285 PolarHBondContact N-OE1 3.26Å; T257-E285 PolarHBondContact N-OE2 3.33Å; T257-E285 PolarHBondContact OG1-OE1 2.57Å; I281-E285 VanDerWaalsContact O-CG 3.28Å; I281-E285 WeakPolarHBondContact O-CG 3.18Å; I281-E285 PolarHBondContact O-N 3.23Å; Q282-E285 PolarHBondContact O-N 3.27Å; V283-E285 PolarHBondContact O-N 2.79Å; E285-A289 WeakPolarHBondContact O-CB 3.5Å; E285-A289 PolarHBondContact O-N 2.68Å
286V98.8Very high98.4Very high0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-66.7-46.4177.3175.80000111.2L217 M223 G251 Y254 V255 Q282 V283 L284 A290L217-V286 HydrophobicContact CB-CG1 4.24Å; L217-V286 HydrophobicContact CD1-CB 3.94Å; L217-V286 HydrophobicContact CD1-CG1 3.7Å; L217-V286 HydrophobicContact CD2-CG1 4.07Å; L217-V286 HydrophobicContact CG-CG1 4.21Å; M223-V286 HydrophobicContact CE-CG1 3.6Å; M223-V286 HydrophobicContact SD-CG1 3.81Å; G251-V286 VanDerWaalsContact O-CG2 3.29Å; G251-V286 WeakPolarHBondContact O-CG2 3.24Å; Y254-V286 HydrophobicContact CD2-CG1 4.27Å; V255-V286 HydrophobicContact CG2-CG2 3.79Å; Q282-V286 WeakPolarHBondContact O-CG2 3.48Å; Q282-V286 PolarHBondContact O-N 3.25Å; Q282-V286 VanDerWaalsContact O-N 3.12Å; V283-V286 PolarHBondContact O-N 3.43Å; L284-V286 VanDerWaalsContact C-N 3.27Å; L284-V286 PolarHBondContact O-N 2.94Å; V286-A290 WeakPolarHBondContact O-CB 3.35Å; V286-A290 PolarHBondContact O-N 3.25Å
287M98.8Very high98.3Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-61-53.1178.4-68.9170.26900111.3I212 M226 L234 I236 V283 L284 A289 A290 R291 L298 I302I212-M287 HydrophobicContact CB-CE 4.13Å; I212-M287 HydrophobicContact CB-SD 3.88Å; I212-M287 HydrophobicContact CG1-CE 4.11Å; I212-M287 HydrophobicContact CG1-SD 4.48Å; I212-M287 HydrophobicContact CG2-CE 4.32Å; I212-M287 HydrophobicContact CG2-CG 3.98Å; I212-M287 HydrophobicContact CG2-SD 3.65Å; M226-M287 HydrophobicContact CE-CB 4.48Å; M226-M287 HydrophobicContact CE-CG 4.34Å; M226-M287 HydrophobicContact SD-CB 4.35Å; M226-M287 HydrophobicContact SD-CG 4.1Å; L234-M287 HydrophobicContact CB-CE 4.37Å; L234-M287 HydrophobicContact CD1-CE 3.8Å; L234-M287 HydrophobicContact CD2-CE 4Å; L234-M287 HydrophobicContact CG-CE 4.3Å; I236-M287 HydrophobicContact CD1-SD 3.86Å; I236-M287 HydrophobicContact CG1-SD 4.06Å; V283-M287 HydrophobicContact CG1-SD 3.97Å; V283-M287 VanDerWaalsContact O-CG 3.29Å; V283-M287 WeakPolarHBondContact O-CG 3.18Å; V283-M287 PolarHBondContact O-N 2.7Å; L284-M287 PolarHBondContact O-N 3.49Å; M287-A289 PolarHBondContact O-N 2.85Å; M287-A290 PolarHBondContact O-N 3.19Å; M287-R291 WeakPolarHBondContact O-CB 3.34Å; M287-R291 VanDerWaalsContact O-CG 3.24Å; M287-R291 WeakPolarHBondContact O-CG 3.32Å; M287-R291 PolarHBondContact O-N 2.84Å; M287-L298 HydrophobicContact CB-CD2 3.96Å; M287-I302 HydrophobicContact CE-CD1 3.7Å
288A98.6Very high98.3Very high5 Ų535.2 Ų35.24%0.04118%0.182CC..Hα-helixtrans-59.5-46.8-178.200000111.8L284 A290 R291 E292 E293 P295 L298L284-A288 WeakPolarHBondContact O-CB 3.29Å; L284-A288 PolarHBondContact O-N 2.05Å; A288-A290 PolarHBondContact O-N 3.4Å; A288-R291 PolarHBondContact O-N 3.06Å; A288-E292 PolarHBondContact O-N 3.43Å; A288-E293 PolarHBondContact O-N 3.42Å; A288-P295 HydrophobicContact CB-CB 3.83Å; A288-L298 HydrophobicContact CB-CD2 3.93Å
289A98.5Very high98.3Very high36 Ų3635.3 Ų35.330%0.29818%0.183SC..Hα-helixtrans-66.1-38.9-179.700000112.6Y254 E285 M287Y254-A289 HydrophobicContact CD1-CB 3.53Å; Y254-A289 HydrophobicContact CE1-CB 4.24Å; Y254-A289 HydrophobicContact CG-CB 3.78Å; E285-A289 WeakPolarHBondContact O-CB 3.5Å; E285-A289 PolarHBondContact O-N 2.68Å; M287-A289 PolarHBondContact O-N 2.85Å
290A98.2Very high98.3Very high8 Ų838.1 Ų38.17%0.06620%0.198CC..Hα-helixtrans-74.8-27.6-179.800000113.4M223 M226 K227 Y254 V286 M287 A288M223-A290 HydrophobicContact CE-CB 3.24Å; M226-A290 HydrophobicContact CE-CB 3.99Å; K227-A290 WeakPolarHBondContact CE-O 3.46Å; Y254-A290 HydrophobicContact CE2-CB 4.33Å; V286-A290 WeakPolarHBondContact O-CB 3.35Å; V286-A290 PolarHBondContact O-N 3.25Å; M287-A290 PolarHBondContact O-N 3.19Å; A288-A290 PolarHBondContact O-N 3.4Å
291R98.4Very high98.2Very high42 Ų4240.6 Ų40.616%0.15821%0.214CC..Hα-helixtrans-92.5-4.8177.8-63.4173.464.3807.9113.5M226 K227 I229 T231 M287 A288 E293M226-R291 HydrophobicContact CE-CG 4.19Å; M226-R291 PolarHBondContact O-NH1 3.33Å; M226-R291 VanDerWaalsContact O-NH1 3.09Å; M226-R291 HydrophobicContact SD-CG 3.93Å; K227-R291 HydrophobicContact CG-CG 4.23Å; K227-R291 PolarHBondContact O-NH1 2.98Å; K227-R291 VanDerWaalsContact O-NH1 3.12Å; I229-R291 VanDerWaalsContact O-CZ 3.29Å; I229-R291 PolarHBondContact O-NH1 2.95Å; I229-R291 PolarHBondContact O-NH2 3.06Å; T231-R291 PolarHBondContact OG1-NH2 2.79Å; M287-R291 WeakPolarHBondContact O-CB 3.34Å; M287-R291 VanDerWaalsContact O-CG 3.24Å; M287-R291 WeakPolarHBondContact O-CG 3.32Å; M287-R291 PolarHBondContact O-N 2.84Å; A288-R291 PolarHBondContact O-N 3.06Å; R291-E293 HydrophobicContact CB-CB 4.41Å; R291-E293 HydrophobicContact CB-CG 3.95Å; R291-E293 WeakPolarHBondContact CD-OE2 3.13Å; R291-E293 IonicContact CZ-OE1 3.28Å; R291-E293 IonicContact CZ-OE2 3.78Å; R291-E293 VanDerWaalsContact NE-CD 3.31Å; R291-E293 IonicContact NE-OE1 3.23Å; R291-E293 PolarHBondContact NE-OE1 3.29Å; R291-E293 IonicContact NE-OE2 2.7Å; R291-E293 PolarHBondContact NE-OE2 3.17Å; R291-E293 IonicContact NH2-OE1 3.26Å; R291-E293 PolarHBondContact NH2-OE1 3.04Å; R291-E293 VanDerWaalsContact NH2-OE1 3.1Å; R291-E293 IonicContact NH2-OE2 3.43Å; R291-E293 PolarHBondContact O-N 2.96Å
292E98.3Very high98.2Very high185 Ų18539.9 Ų39.986%0.86421%0.21SC*.THydrogen-bonded Turntrans56.535-174.9-56.9179.6-155.400112.8A288A288-E292 PolarHBondContact O-N 3.43Å
293E97.9Very high98.2Very high60 Ų6040.6 Ų40.628%0.2821%0.212SC..  trans-103.2153.7-179.6-71.6172.516000111.2T231 A288 R291 L298T231-E293 PolarHBondContact OG1-OE1 3.48Å; A288-E293 PolarHBondContact O-N 3.42Å; R291-E293 HydrophobicContact CB-CB 4.41Å; R291-E293 HydrophobicContact CB-CG 3.95Å; R291-E293 WeakPolarHBondContact CD-OE2 3.13Å; R291-E293 IonicContact CZ-OE1 3.28Å; R291-E293 IonicContact CZ-OE2 3.78Å; R291-E293 VanDerWaalsContact NE-CD 3.31Å; R291-E293 IonicContact NE-OE1 3.23Å; R291-E293 PolarHBondContact NE-OE1 3.29Å; R291-E293 IonicContact NE-OE2 2.7Å; R291-E293 PolarHBondContact NE-OE2 3.17Å; R291-E293 IonicContact NH2-OE1 3.26Å; R291-E293 PolarHBondContact NH2-OE1 3.04Å; R291-E293 VanDerWaalsContact NH2-OE1 3.1Å; R291-E293 IonicContact NH2-OE2 3.43Å; R291-E293 PolarHBondContact O-N 2.96Å; E293-L298 WeakPolarHBondContact OE2-CD1 3.5Å
294D97.5Very high98.2Very high77 Ų7743.8 Ų43.841%0.41224%0.235SC..  trans-66.5126.4170.9177.9-91.4000110V296 E297 L298D294-V296 VanDerWaalsContact C-N 3.26Å; D294-V296 PolarHBondContact O-N 2.92Å; D294-V296 WeakPolarHBondContact OD1-CA 3.42Å; D294-V296 VanDerWaalsContact OD1-CB 3.27Å; D294-V296 WeakPolarHBondContact OD1-CB 3.44Å; D294-V296 PolarHBondContact OD1-N 3.47Å; D294-E297 HydrophobicContact CB-CB 4.16Å; D294-E297 HydrophobicContact CB-CG 4.13Å; D294-E297 PolarHBondContact O-N 2.97Å; D294-E297 PolarHBondContact OD1-N 3.36Å; D294-L298 WeakPolarHBondContact O-CB 3.42Å; D294-L298 PolarHBondContact O-N 2.78Å
295P96.7Very high98.2Very high53 Ų5344.3 Ų44.334%0.34424%0.237SC..Hα-helixtrans-64.8-27.8-175.324.2-34.1000113.3L284 A288 A299L284-P295 HydrophobicContact CD2-CB 4.33Å; A288-P295 HydrophobicContact CB-CB 3.83Å; P295-A299 WeakPolarHBondContact O-CB 3.48Å; P295-A299 PolarHBondContact O-N 3.29Å
296V96.6Very high98.2Very high46 Ų4643.2 Ų43.228%0.27923%0.232SC..Hα-helixtrans-76.7-44.4179.5-178.70000110A19 D294 A299 N300A19-V296 HydrophobicContact CB-CG1 4.38Å; D294-V296 VanDerWaalsContact C-N 3.26Å; D294-V296 PolarHBondContact O-N 2.92Å; D294-V296 WeakPolarHBondContact OD1-CA 3.42Å; D294-V296 VanDerWaalsContact OD1-CB 3.27Å; D294-V296 WeakPolarHBondContact OD1-CB 3.44Å; D294-V296 PolarHBondContact OD1-N 3.47Å; V296-A299 PolarHBondContact O-N 3.12Å; V296-N300 WeakPolarHBondContact O-CB 3.12Å; V296-N300 PolarHBondContact O-N 3.38Å; V296-N300 PolarHBondContact O-ND2 2.88Å; V296-N300 VanDerWaalsContact O-ND2 3.14Å
297E97.6Very high98.2Very high134 Ų13445.5 Ų45.563%0.62624%0.244SC*.Hα-helixtrans-62.5-43.1174.9-66.8-175.7173.600112.1D294 N300 T301D294-E297 HydrophobicContact CB-CB 4.16Å; D294-E297 HydrophobicContact CB-CG 4.13Å; D294-E297 PolarHBondContact O-N 2.97Å; D294-E297 PolarHBondContact OD1-N 3.36Å; E297-N300 PolarHBondContact O-N 2.89Å; E297-T301 PolarHBondContact O-N 2.97Å; E297-T301 PolarHBondContact O-OG1 3.14Å
298L98.4Very high98.2Very high3 Ų351.9 Ų51.92%0.01627%0.272CS..Hα-helixtrans-61.2-48.9175.1178.356.3000111.3T231 L234 L284 M287 A288 E293 D294 N300 T301 I302T231-L298 HydrophobicContact CG2-CD1 3.45Å; T231-L298 VanDerWaalsContact CG2-CD1 3.45Å; L234-L298 HydrophobicContact CD1-CD1 4.37Å; L284-L298 HydrophobicContact CD1-CB 4.33Å; L284-L298 HydrophobicContact CD1-CD2 4.02Å; L284-L298 HydrophobicContact CD1-CG 3.95Å; M287-L298 HydrophobicContact CB-CD2 3.96Å; A288-L298 HydrophobicContact CB-CD2 3.93Å; E293-L298 WeakPolarHBondContact OE2-CD1 3.5Å; D294-L298 WeakPolarHBondContact O-CB 3.42Å; D294-L298 PolarHBondContact O-N 2.78Å; L298-N300 VanDerWaalsContact C-N 3.34Å; L298-N300 PolarHBondContact O-N 3.47Å; L298-T301 PolarHBondContact O-N 3.42Å; L298-I302 HydrophobicContact CD1-CD1 3.63Å; L298-I302 HydrophobicContact CD1-CG1 4.05Å; L298-I302 HydrophobicContact CG-CD1 3.8Å; L298-I302 WeakPolarHBondContact O-CB 3.45Å; L298-I302 WeakPolarHBondContact O-CG1 3.39Å; L298-I302 PolarHBondContact O-N 3.41Å
299A98.4Very high98.2Very high2 Ų252.8 Ų52.82%0.01728%0.276CS..Hα-helixtrans-60-43.4178.100000112.2C21 L284 P295 V296 T301 I302 Y303C21-A299 HydrophobicContact CB-CB 3.97Å; L284-A299 HydrophobicContact CD1-CB 3.96Å; L284-A299 HydrophobicContact CD2-CB 3.81Å; P295-A299 WeakPolarHBondContact O-CB 3.48Å; P295-A299 PolarHBondContact O-N 3.29Å; V296-A299 PolarHBondContact O-N 3.12Å; A299-T301 VanDerWaalsContact C-N 3.34Å; A299-T301 PolarHBondContact O-N 3.25Å; A299-I302 PolarHBondContact O-N 3.35Å; A299-Y303 VanDerWaalsContact O-CB 3.26Å; A299-Y303 WeakPolarHBondContact O-CB 3.43Å; A299-Y303 PolarHBondContact O-N 3.26Å
300N98.3Very high98.2Very high77 Ų7751.6 Ų51.641%0.41227%0.265SS..Hα-helixtrans-63.1-40.4178.4-73.5-28.4000112.2V296 E297 L298 S304V296-N300 WeakPolarHBondContact O-CB 3.12Å; V296-N300 PolarHBondContact O-N 3.38Å; V296-N300 PolarHBondContact O-ND2 2.88Å; V296-N300 VanDerWaalsContact O-ND2 3.14Å; E297-N300 PolarHBondContact O-N 2.89Å; L298-N300 VanDerWaalsContact C-N 3.34Å; L298-N300 PolarHBondContact O-N 3.47Å; N300-S304 WeakPolarHBondContact O-CB 3.41Å; N300-S304 PolarHBondContact O-N 2.67Å; N300-S304 PolarHBondContact O-OG 3.24Å
301T98.6Very high98.1Very high52 Ų5251.8 Ų51.832%0.31926%0.264SS..Hα-helixtrans-67.8-48.3177.9-54.50000110.7T231 E297 L298 A299 Y303 S304 N305T231-T301 HydrophobicContact CG2-CG2 3.8Å; E297-T301 PolarHBondContact O-N 2.97Å; E297-T301 PolarHBondContact O-OG1 3.14Å; L298-T301 PolarHBondContact O-N 3.42Å; A299-T301 VanDerWaalsContact C-N 3.34Å; A299-T301 PolarHBondContact O-N 3.25Å; T301-Y303 PolarHBondContact O-N 3.18Å; T301-S304 WeakPolarHBondContact O-CB 3.36Å; T301-S304 PolarHBondContact O-N 3.47Å; T301-S304 VanDerWaalsContact O-N 3.13Å; T301-N305 PolarHBondContact O-N 3.23Å; T301-N305 PolarHBondContact O-ND2 3.05Å; T301-N305 PolarHBondContact O-OD1 3.48Å
302I98.7Very high97.3Very high5 Ų553.7 Ų53.73%0.02628%0.284CS..Hα-helixtrans-57.2-47.8176.1-74171.6000111.1L234 I236 M287 L298 A299 S304 N305 T306L234-I302 HydrophobicContact CB-CD1 4.28Å; L234-I302 HydrophobicContact CB-CG1 3.95Å; I236-I302 HydrophobicContact CB-CG2 4.07Å; I236-I302 HydrophobicContact CG2-CG2 3.73Å; M287-I302 HydrophobicContact CE-CD1 3.7Å; L298-I302 HydrophobicContact CD1-CD1 3.63Å; L298-I302 HydrophobicContact CD1-CG1 4.05Å; L298-I302 HydrophobicContact CG-CD1 3.8Å; L298-I302 WeakPolarHBondContact O-CB 3.45Å; L298-I302 WeakPolarHBondContact O-CG1 3.39Å; L298-I302 PolarHBondContact O-N 3.41Å; A299-I302 PolarHBondContact O-N 3.35Å; I302-S304 VanDerWaalsContact C-N 3.29Å; I302-S304 PolarHBondContact O-N 3.26Å; I302-N305 WeakPolarHBondContact O-CB 3.48Å; I302-N305 PolarHBondContact O-N 3.1Å; I302-T306 PolarHBondContact O-N 2.96Å; I302-T306 PolarHBondContact O-OG1 2.83Å; I302-T306 VanDerWaalsContact O-OG1 3.1Å
303Y98.7Very high95.6Very high38 Ų3850.8 Ų50.815%0.14928%0.284CS..Hα-helixtrans-58.1-44176.9-175.6-81.2000111.4K22 I24 E62 A299 T301 T306 I307K22-Y303 HydrophobicContact CB-CD2 3.61Å; K22-Y303 HydrophobicContact CB-CE2 3.71Å; K22-Y303 HydrophobicContact CB-CG 4.25Å; I24-Y303 HydrophobicContact CD1-CD2 4.12Å; I24-Y303 HydrophobicContact CD1-CE2 3.89Å; I24-Y303 HydrophobicContact CG1-CD2 3.82Å; I24-Y303 HydrophobicContact CG1-CE2 3.6Å; E62-Y303 HydrophobicContact CB-CE2 4.4Å; E62-Y303 VanDerWaalsContact OE2-CZ 3.29Å; E62-Y303 PolarHBondContact OE2-OH 2.82Å; A299-Y303 VanDerWaalsContact O-CB 3.26Å; A299-Y303 WeakPolarHBondContact O-CB 3.43Å; A299-Y303 PolarHBondContact O-N 3.26Å; T301-Y303 PolarHBondContact O-N 3.18Å; Y303-T306 PolarHBondContact O-N 3.4Å; Y303-I307 HydrophobicContact CD1-CG1 3.82Å; Y303-I307 HydrophobicContact CE1-CD1 3.93Å; Y303-I307 HydrophobicContact CE1-CG1 3.44Å; Y303-I307 VanDerWaalsContact CE1-CG1 3.44Å; Y303-I307 WeakPolarHBondContact O-CG1 3.23Å; Y303-I307 PolarHBondContact O-N 3.38Å
304S98.5Very high93.2Very high71 Ų7154.7 Ų54.750%0.49732%0.318SS..Hα-helixtrans-65.4-39.9178.8-59.10000112.5N300 T301 I302 T306 I307 K308N300-S304 WeakPolarHBondContact O-CB 3.41Å; N300-S304 PolarHBondContact O-N 2.67Å; N300-S304 PolarHBondContact O-OG 3.24Å; T301-S304 WeakPolarHBondContact O-CB 3.36Å; T301-S304 PolarHBondContact O-N 3.47Å; T301-S304 VanDerWaalsContact O-N 3.13Å; I302-S304 VanDerWaalsContact C-N 3.29Å; I302-S304 PolarHBondContact O-N 3.26Å; S304-T306 VanDerWaalsContact C-N 3.34Å; S304-I307 PolarHBondContact O-N 2.73Å; S304-K308 WeakPolarHBondContact O-CB 3.5Å; S304-K308 PolarHBondContact O-N 3.09Å
305N98.8Very high93Very high13 Ų1353.6 Ų53.67%0.0731%0.313CS..Hα-helixtrans-57.6-48.9173.1-64.3-16.7000110.5Y209 T231 E232 L234 T301 I302 K308 V309Y209-N305 HydrophobicContact CD1-CB 4.09Å; Y209-N305 HydrophobicContact CE1-CB 3.69Å; T231-N305 PolarHBondContact O-ND2 2.71Å; E232-N305 PolarHBondContact O-ND2 3.19Å; E232-N305 PolarHBondContact O-OD1 2.69Å; L234-N305 PolarHBondContact O-ND2 3.14Å; T301-N305 PolarHBondContact O-N 3.23Å; T301-N305 PolarHBondContact O-ND2 3.05Å; T301-N305 PolarHBondContact O-OD1 3.48Å; I302-N305 WeakPolarHBondContact O-CB 3.48Å; I302-N305 PolarHBondContact O-N 3.1Å; N305-K308 WeakPolarHBondContact O-CB 3.38Å; N305-K308 PolarHBondContact O-N 3.29Å; N305-V309 WeakPolarHBondContact O-CG2 3.28Å; N305-V309 PolarHBondContact O-N 3.32Å
306T98.8Very high92.8Very high0 Ų053.6 Ų53.60%031%0.312CS..Hα-helixtrans-64.7-42.6-179.5-55.30000112.3I24 I26 I302 Y303 S304 K308 V309 F310 F311I24-T306 HydrophobicContact CB-CG2 3.74Å; I24-T306 HydrophobicContact CD1-CG2 3.79Å; I24-T306 HydrophobicContact CG1-CG2 4.35Å; I24-T306 HydrophobicContact CG2-CG2 3.53Å; I26-T306 HydrophobicContact CG2-CG2 3.38Å; I302-T306 PolarHBondContact O-N 2.96Å; I302-T306 PolarHBondContact O-OG1 2.83Å; I302-T306 VanDerWaalsContact O-OG1 3.1Å; Y303-T306 PolarHBondContact O-N 3.4Å; S304-T306 VanDerWaalsContact C-N 3.34Å; T306-K308 PolarHBondContact O-N 3.21Å; T306-V309 PolarHBondContact O-N 3.02Å; T306-F310 HydrophobicContact CG2-CD2 4.03Å; T306-F310 PolarHBondContact O-N 2.9Å; T306-F311 HydrophobicContact CG2-CE2 4.16Å
307I98.6Very high92.5Very high48 Ų4854.1 Ų54.125%0.24631%0.313CS..Hα-helixtrans-58.3-47.7173.7-71.4-66.3000111.1I24 K63 Y303 S304 V309 F311 S312I24-I307 HydrophobicContact CD1-CD1 3.58Å; I24-I307 HydrophobicContact CD1-CG1 3.86Å; K63-I307 HydrophobicContact CD-CD1 4.49Å; Y303-I307 HydrophobicContact CD1-CG1 3.82Å; Y303-I307 HydrophobicContact CE1-CD1 3.93Å; Y303-I307 HydrophobicContact CE1-CG1 3.44Å; Y303-I307 VanDerWaalsContact CE1-CG1 3.44Å; Y303-I307 WeakPolarHBondContact O-CG1 3.23Å; Y303-I307 PolarHBondContact O-N 3.38Å; S304-I307 PolarHBondContact O-N 2.73Å; I307-V309 VanDerWaalsContact C-N 3.27Å; I307-V309 PolarHBondContact O-N 3.34Å; I307-F311 HydrophobicContact CD1-CB 3.92Å; I307-F311 HydrophobicContact CD1-CD2 4.07Å; I307-F311 HydrophobicContact CD1-CG 4.23Å; I307-F311 CarbonylContact O-C 3.45Å; I307-F311 VanDerWaalsContact O-C 3.23Å; I307-F311 WeakPolarHBondContact O-CA 3.34Å; I307-F311 PolarHBondContact O-N 3.35Å; I307-S312 PolarHBondContact O-N 3.46Å
308K98.1Very high92.2Very high134 Ų13449.4 Ų49.458%0.58330%0.295SS*.Hα-helixtrans-57.1-41.4-179177.7-177.3171.2-170.10112.2Y209 S304 N305 T306 S312Y209-K308 PolarHBondContact OH-NZ 2.91Å; S304-K308 WeakPolarHBondContact O-CB 3.5Å; S304-K308 PolarHBondContact O-N 3.09Å; N305-K308 WeakPolarHBondContact O-CB 3.38Å; N305-K308 PolarHBondContact O-N 3.29Å; T306-K308 PolarHBondContact O-N 3.21Å; K308-S312 WeakPolarHBondContact O-CB 3.4Å; K308-S312 PolarHBondContact O-OG 2.83Å
309V98.4Very high91.9Very high24 Ų2452.3 Ų52.315%0.14531%0.313CS..Hα-helixtrans-80.5-50.4-175.6176.10000112.1P162 Y209 M235 N305 T306 I307P162-V309 HydrophobicContact CB-CG1 3.75Å; P162-V309 HydrophobicContact CG-CG1 4.14Å; Y209-V309 HydrophobicContact CD2-CG2 3.68Å; Y209-V309 HydrophobicContact CE1-CG2 4.32Å; Y209-V309 HydrophobicContact CE2-CG2 3.34Å; Y209-V309 HydrophobicContact CG-CG2 4.32Å; M235-V309 HydrophobicContact CE-CB 3.66Å; M235-V309 HydrophobicContact CE-CG1 4.11Å; M235-V309 HydrophobicContact CE-CG2 3.48Å; M235-V309 VanDerWaalsContact CE-CG2 3.48Å; N305-V309 WeakPolarHBondContact O-CG2 3.28Å; N305-V309 PolarHBondContact O-N 3.32Å; T306-V309 PolarHBondContact O-N 3.02Å; I307-V309 VanDerWaalsContact C-N 3.27Å; I307-V309 PolarHBondContact O-N 3.34Å
310F98.3Very high91.4Very high12 Ų1255.6 Ų55.65%0.05333%0.332CS..Hα-helixtrans-103.6-15.9-167.9-63.4-67.9000114.6I26 M65 A126 P162 V189 M235 T306I26-F310 HydrophobicContact CG2-CE2 4.46Å; M65-F310 HydrophobicContact CE-CD1 3.84Å; M65-F310 HydrophobicContact CE-CD2 3.94Å; M65-F310 HydrophobicContact CE-CE1 3.87Å; M65-F310 HydrophobicContact CE-CE2 3.93Å; M65-F310 HydrophobicContact CE-CG 3.9Å; M65-F310 HydrophobicContact CE-CZ 3.92Å; M65-F310 HydrophobicContact SD-CB 4.29Å; M65-F310 HydrophobicContact SD-CD1 4.48Å; M65-F310 HydrophobicContact SD-CD2 3.85Å; M65-F310 HydrophobicContact SD-CE2 4.29Å; M65-F310 HydrophobicContact SD-CG 3.96Å; A126-F310 HydrophobicContact CB-CD1 4.03Å; A126-F310 HydrophobicContact CB-CE1 3.7Å; P162-F310 HydrophobicContact CB-CD1 4.15Å; P162-F310 HydrophobicContact CB-CE1 3.87Å; P162-F310 HydrophobicContact CG-CD1 3.31Å; P162-F310 HydrophobicContact CG-CE1 3.49Å; P162-F310 VanDerWaalsContact CG-CE1 3.49Å; P162-F310 HydrophobicContact CG-CG 4.35Å; V189-F310 HydrophobicContact CB-CZ 4.3Å; V189-F310 HydrophobicContact CG1-CE2 4.14Å; V189-F310 HydrophobicContact CG1-CZ 3.68Å; M235-F310 HydrophobicContact CE-CD2 4.34Å; M235-F310 HydrophobicContact CE-CE2 3.88Å; M235-F310 HydrophobicContact SD-CD2 4.33Å; M235-F310 HydrophobicContact SD-CE2 3.63Å; T306-F310 HydrophobicContact CG2-CD2 4.03Å; T306-F310 PolarHBondContact O-N 2.9Å
311F96.9Very high90.9Very high12 Ų1254.1 Ų54.15%0.05333%0.327CS..SBendtrans-13413.8-168.8-53.8-76.8000114I24 K63 M65 Y88 V125 T306 I307 S313 S314I24-F311 HydrophobicContact CD1-CD2 4.06Å; I24-F311 HydrophobicContact CD1-CE2 4Å; I24-F311 HydrophobicContact CG2-CE2 3.98Å; I24-F311 HydrophobicContact CG2-CZ 4.43Å; K63-F311 HydrophobicContact CB-CZ 4.39Å; K63-F311 HydrophobicContact CD-CD1 3.9Å; K63-F311 HydrophobicContact CD-CD2 4.06Å; K63-F311 HydrophobicContact CD-CE1 3.73Å; K63-F311 HydrophobicContact CD-CE2 3.92Å; K63-F311 HydrophobicContact CD-CG 4.06Å; K63-F311 HydrophobicContact CD-CZ 3.74Å; M65-F311 HydrophobicContact CG-CZ 4.12Å; M65-F311 HydrophobicContact SD-CE2 4.19Å; M65-F311 HydrophobicContact SD-CZ 4.11Å; Y88-F311 HydrophobicContact CD1-CD1 4.47Å; Y88-F311 AromaticContact CD1-CE1 3.73Å; Y88-F311 HydrophobicContact CD1-CE1 3.73Å; Y88-F311 AromaticContact CD2-CE1 3.69Å; Y88-F311 HydrophobicContact CD2-CE1 3.69Å; Y88-F311 HydrophobicContact CD2-CZ 4.12Å; Y88-F311 HydrophobicContact CE1-CD1 4.23Å; Y88-F311 AromaticContact CE1-CE1 3.85Å; Y88-F311 HydrophobicContact CE1-CE1 3.85Å; Y88-F311 AromaticContact CE2-CE1 3.87Å; Y88-F311 HydrophobicContact CE2-CE1 3.87Å; Y88-F311 AromaticContact CG-CE1 3.64Å; Y88-F311 HydrophobicContact CG-CE1 3.64Å; Y88-F311 HydrophobicContact CG-CZ 4.24Å; Y88-F311 AromaticContact CZ-CE1 3.94Å; V125-F311 HydrophobicContact CG1-CD1 4.44Å; V125-F311 HydrophobicContact CG1-CE1 3.98Å; V125-F311 HydrophobicContact CG2-CZ 4.5Å; T306-F311 HydrophobicContact CG2-CE2 4.16Å; I307-F311 HydrophobicContact CD1-CB 3.92Å; I307-F311 HydrophobicContact CD1-CD2 4.07Å; I307-F311 HydrophobicContact CD1-CG 4.23Å; I307-F311 CarbonylContact O-C 3.45Å; I307-F311 VanDerWaalsContact O-C 3.23Å; I307-F311 WeakPolarHBondContact O-CA 3.34Å; I307-F311 PolarHBondContact O-N 3.35Å; F311-S313 VanDerWaalsContact C-N 3.28Å; F311-S313 PolarHBondContact O-N 2.95Å; F311-S314 PolarHBondContact O-OG 2.88Å
312S81.6Confident90.3Very high81 Ų8154.2 Ų54.257%0.56633%0.327SS*.THydrogen-bonded Turntrans-75.8-14.2-177.851.50000114.4I307 K308I307-S312 PolarHBondContact O-N 3.46Å; K308-S312 WeakPolarHBondContact O-CB 3.4Å; K308-S312 PolarHBondContact O-OG 2.83Å
313S61.6Low89.6Confident124 Ų12458.3 Ų58.387%0.86735%0.352SS*.THydrogen-bonded Turntrans-110.713.8179.8-54.10000113.2F311F311-S313 VanDerWaalsContact C-N 3.28Å; F311-S313 PolarHBondContact O-N 2.95Å
314S47.6Very low88.8Confident143 Ų14360.2 Ų60.2100%137%0.371SS*.  trans-88.10178.2-51.90000112.4F311F311-S314 PolarHBondContact O-OG 2.88Å

Retrieved 314 of 314 residues in 265.8 ms (Link to these results)

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