G4M1U8_SCHMA Loading...

Voltage-dependent anion-selective channel,putative

AlphaFold DB , UniProt , Accession G4M1U8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 282 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
1M83.7Confident95.1Very high140 Ų14040.7 Ų40.769%0.6924%0.241SC*.  0146.80-61.4-173.8-160.700112.1K116M1-K116 HydrophobicContact CB-CD 4.32Å; M1-K116 HydrophobicContact CB-CG 4.11Å; M1-K116 HydrophobicContact CG-CG 4.42Å; M1-K116 HydrophobicContact SD-CD 3.47Å; M1-K116 WeakPolarHBondContact SD-CD 3.33Å; M1-K116 WeakPolarHBondContact SD-CE 3.35Å; M1-K116 HydrophobicContact SD-CG 3.64Å
2V93.3Very high95.3Very high2 Ų237.6 Ų37.61%0.01222%0.223CC..PPolyproline II helixtrans-77.1143.4178.7-174.50000111.1K116 H117 E118 N121 V140 P142V2-K116 WeakPolarHBondContact O-CE 3.47Å; V2-H117 PolarHBondContact N-O 3.43Å; V2-E118 VanDerWaalsContact CG2-O 3.23Å; V2-E118 WeakPolarHBondContact CG2-O 2.86Å; V2-N121 HydrophobicContact CB-CB 4.05Å; V2-N121 HydrophobicContact CG1-CB 4.06Å; V2-N121 PolarHBondContact O-ND2 2.8Å; V2-V140 HydrophobicContact CG1-CB 3.95Å; V2-V140 HydrophobicContact CG1-CG1 3.54Å; V2-P142 HydrophobicContact CG2-CG 4.32Å
3A94.6Very high95.5Very high41 Ų4142.8 Ų42.834%0.33924%0.237SC..PPolyproline II helixtrans-72.4151.2175.800000111.1D7 L8 N121A3-D7 HydrophobicContact CB-CB 4.2Å; A3-L8 HydrophobicContact CB-CD2 4.42Å; A3-N121 WeakPolarHBondContact O-CB 3.47Å
4S96.9Very high95.6Very high20 Ų2043.4 Ų43.414%0.1424%0.239CC..PPolyproline II helixtrans-68.6159173.873.80000110.9G6 D7 L8 N121S4-G6 PolarHBondContact O-N 3.29Å; S4-D7 PolarHBondContact O-N 2.99Å; S4-D7 VanDerWaalsContact OG-CG 3.26Å; S4-D7 PolarHBondContact OG-N 3.18Å; S4-D7 PolarHBondContact OG-OD2 3.28Å; S4-L8 PolarHBondContact O-N 3.25Å; S4-N121 PolarHBondContact N-ND2 3.2Å
5F98Very high95.6Very high20 Ų2040.9 Ų40.99%0.08823%0.225CC..G310 helixtrans-54.5-43.5176.4-173.1-89.7000111.4D7 L8 V140 Q154 I168 A170F5-D7 PolarHBondContact O-N 2.92Å; F5-L8 HydrophobicContact CD2-CD1 4.35Å; F5-L8 WeakPolarHBondContact O-CB 3.23Å; F5-L8 WeakPolarHBondContact O-CG 3.39Å; F5-L8 PolarHBondContact O-N 2.84Å; F5-L8 VanDerWaalsContact O-N 3.15Å; F5-V140 VanDerWaalsContact CA-CG2 3.49Å; F5-V140 HydrophobicContact CB-CG2 3.83Å; F5-V140 HydrophobicContact CD2-CG2 4.21Å; F5-Q154 HydrophobicContact CD1-CB 3.78Å; F5-Q154 HydrophobicContact CD1-CG 4.41Å; F5-Q154 HydrophobicContact CD2-CB 4.23Å; F5-Q154 HydrophobicContact CE1-CB 3.5Å; F5-Q154 HydrophobicContact CE1-CG 4.3Å; F5-Q154 HydrophobicContact CE2-CB 3.99Å; F5-Q154 HydrophobicContact CG-CB 4.14Å; F5-Q154 HydrophobicContact CZ-CB 3.62Å; F5-I168 HydrophobicContact CE1-CB 4.43Å; F5-I168 HydrophobicContact CE1-CD1 4.49Å; F5-I168 HydrophobicContact CE1-CG2 4.4Å; F5-I168 HydrophobicContact CZ-CB 3.91Å; F5-I168 HydrophobicContact CZ-CG2 3.79Å; F5-A170 HydrophobicContact CD2-CB 4.48Å; F5-A170 HydrophobicContact CE2-CB 3.65Å; F5-A170 HydrophobicContact CZ-CB 4.07Å
6G96.1Very high95.7Very high43 Ų4338.8 Ų38.844%0.44321%0.213SC..G310 helixtrans-67.4-11.5177.200000115.2S4 R13S4-G6 PolarHBondContact O-N 3.29Å; G6-R13 PolarHBondContact O-NH2 2.89Å
7D96.4Very high95.7Very high61 Ų6141.9 Ų41.933%0.32623%0.229SC..G310 helixtrans-96.3-10.7174.6-68.9-50.2000113.2A3 S4 F5 G9 K10A3-D7 HydrophobicContact CB-CB 4.2Å; S4-D7 PolarHBondContact O-N 2.99Å; S4-D7 VanDerWaalsContact OG-CG 3.26Å; S4-D7 PolarHBondContact OG-N 3.18Å; S4-D7 PolarHBondContact OG-OD2 3.28Å; F5-D7 PolarHBondContact O-N 2.92Å; D7-G9 PolarHBondContact O-N 3.32Å; D7-K10 HydrophobicContact CB-CD 4.42Å; D7-K10 WeakPolarHBondContact O-CB 3.21Å; D7-K10 PolarHBondContact O-N 3.03Å; D7-K10 VanDerWaalsContact O-N 3.17Å; D7-K10 WeakPolarHBondContact OD1-CD 3.47Å; D7-K10 IonicContact OD1-NZ 2.75Å; D7-K10 PolarHBondContact OD1-NZ 3.01Å
8L97Very high95.7Very high3 Ų345.4 Ų45.42%0.01624%0.242CC..THydrogen-bonded Turntrans-62.6134.4173.1-56.3-176.2000109.9A3 S4 F5 K10 R13 V140 R150 A170 N172 H181A3-L8 HydrophobicContact CB-CD2 4.42Å; S4-L8 PolarHBondContact O-N 3.25Å; F5-L8 HydrophobicContact CD2-CD1 4.35Å; F5-L8 WeakPolarHBondContact O-CB 3.23Å; F5-L8 WeakPolarHBondContact O-CG 3.39Å; F5-L8 PolarHBondContact O-N 2.84Å; F5-L8 VanDerWaalsContact O-N 3.15Å; L8-K10 PolarHBondContact O-N 2.88Å; L8-R13 PolarHBondContact O-NH2 3.13Å; L8-V140 HydrophobicContact CD1-CG1 4.31Å; L8-V140 HydrophobicContact CD1-CG2 4.04Å; L8-V140 HydrophobicContact CD2-CG1 4.29Å; L8-R150 HydrophobicContact CD2-CB 4.46Å; L8-A170 HydrophobicContact CD1-CB 3.91Å; L8-N172 HydrophobicContact CB-CB 4.36Å; L8-N172 HydrophobicContact CD1-CB 4.44Å; L8-N172 HydrophobicContact CD2-CB 3.95Å; L8-N172 HydrophobicContact CG-CB 4.48Å; L8-H181 VanDerWaalsContact CB-CE1 3.41Å; L8-H181 WeakPolarHBondContact CB-CE1 3.34Å
9G96.4Very high95.5Very high1 Ų145 Ų451%0.0124%0.24CC..THydrogen-bonded Turntrans62.66.8-174.300000116.7D7 S11 A12 R13 N172 H181D7-G9 PolarHBondContact O-N 3.32Å; G9-S11 PolarHBondContact O-N 2.93Å; G9-A12 PolarHBondContact O-N 3.13Å; G9-R13 PolarHBondContact O-N 2.8Å; G9-N172 PolarHBondContact N-OD1 3.25Å; G9-H181 VanDerWaalsContact CA-CD2 3.48Å; G9-H181 WeakPolarHBondContact CA-CD2 3.24Å
10K97.1Very high95.5Very high86 Ų8643.8 Ų43.837%0.37423%0.232SC..Hα-helixtrans-59-32.6-176.5-175.2176.4-170.4172.20113.4D7 L8 A12 R13 D14D7-K10 HydrophobicContact CB-CD 4.42Å; D7-K10 WeakPolarHBondContact O-CB 3.21Å; D7-K10 PolarHBondContact O-N 3.03Å; D7-K10 VanDerWaalsContact O-N 3.17Å; D7-K10 WeakPolarHBondContact OD1-CD 3.47Å; D7-K10 IonicContact OD1-NZ 2.75Å; D7-K10 PolarHBondContact OD1-NZ 3.01Å; L8-K10 PolarHBondContact O-N 2.88Å; K10-A12 VanDerWaalsContact C-N 3.34Å; K10-A12 PolarHBondContact O-N 2.68Å; K10-R13 PolarHBondContact O-N 3.3Å; K10-D14 WeakPolarHBondContact O-CB 3.33Å; K10-D14 PolarHBondContact O-N 2.84Å
11S96.6Very high95.4Very high31 Ų3143 Ų4322%0.21723%0.231CC..Hα-helixtrans-61.6-41.4179.8-47.20000112.2G9 I15 Q179 F195G9-S11 PolarHBondContact O-N 2.93Å; S11-I15 WeakPolarHBondContact O-CG1 3.37Å; S11-Q179 PolarHBondContact OG-OE1 2.79Å; S11-F195 VanDerWaalsContact C-CD2 3.44Å; S11-F195 VanDerWaalsContact CB-CD2 3.41Å; S11-F195 VanDerWaalsContact CB-CG 3.45Å; S11-F195 VanDerWaalsContact O-CD2 3.31Å; S11-F195 WeakPolarHBondContact O-CD2 3.38Å
12A97.4Very high96Very high3 Ų337.6 Ų37.63%0.02520%0.203CC..Hα-helixtrans-69-50.217600000110.5G9 K10 D14 I15 F16 F195G9-A12 PolarHBondContact O-N 3.13Å; K10-A12 VanDerWaalsContact C-N 3.34Å; K10-A12 PolarHBondContact O-N 2.68Å; A12-D14 VanDerWaalsContact C-N 3.3Å; A12-D14 PolarHBondContact O-N 3.34Å; A12-I15 WeakPolarHBondContact O-CB 3.26Å; A12-I15 PolarHBondContact O-N 2.84Å; A12-F16 WeakPolarHBondContact O-CD2 3.43Å; A12-F16 PolarHBondContact O-N 2.74Å; A12-F195 HydrophobicContact CB-CB 4.09Å
13R97.4Very high96.1Very high106 Ų10637.5 Ų37.540%0.420%0.203SC..Hα-helixtrans-53.2-44.3178.2-72.1-174.7-75.7151.7-1.4112.7G6 L8 G9 K10 I15 F16 D17G6-R13 PolarHBondContact O-NH2 2.89Å; L8-R13 PolarHBondContact O-NH2 3.13Å; G9-R13 PolarHBondContact O-N 2.8Å; K10-R13 PolarHBondContact O-N 3.3Å; R13-I15 PolarHBondContact O-N 2.9Å; R13-I15 VanDerWaalsContact O-N 3.14Å; R13-F16 PolarHBondContact O-N 2.94Å; R13-D17 WeakPolarHBondContact O-CB 3.43Å; R13-D17 VanDerWaalsContact O-CG 3.28Å; R13-D17 PolarHBondContact O-N 2.84Å
14D96.9Very high96.2Very high51 Ų5137.8 Ų37.827%0.27320%0.196SC..Hα-helixtrans-58.4-30.3177.6-86.1-3.9000113.8K10 A12 K18 K233K10-D14 WeakPolarHBondContact O-CB 3.33Å; K10-D14 PolarHBondContact O-N 2.84Å; A12-D14 VanDerWaalsContact C-N 3.3Å; A12-D14 PolarHBondContact O-N 3.34Å; D14-K18 HydrophobicContact CB-CD 4.05Å; D14-K18 HydrophobicContact CB-CG 4.49Å; D14-K18 VanDerWaalsContact CG-CE 3.43Å; D14-K18 WeakPolarHBondContact O-CB 3.31Å; D14-K18 PolarHBondContact O-N 2.88Å; D14-K18 WeakPolarHBondContact OD1-CE 3.28Å; D14-K18 IonicContact OD1-NZ 2.67Å; D14-K18 PolarHBondContact OD1-NZ 2.88Å; D14-K18 VanDerWaalsContact OD1-NZ 3.08Å; D14-K18 WeakPolarHBondContact OD2-CE 3.37Å; D14-K18 IonicContact OD2-NZ 3.99Å; D14-K18 PolarHBondContact OD2-NZ 3.08Å; D14-K233 PolarHBondContact O-NZ 2.97Å
15I96.7Very high96.2Very high5 Ų538.7 Ų38.73%0.02620%0.199CC..Hα-helixtrans-74.6-34.5175-53.6173.4000110.5S11 A12 R13 F195 K202 L203 A221 R223 K233S11-I15 WeakPolarHBondContact O-CG1 3.37Å; A12-I15 WeakPolarHBondContact O-CB 3.26Å; A12-I15 PolarHBondContact O-N 2.84Å; R13-I15 PolarHBondContact O-N 2.9Å; R13-I15 VanDerWaalsContact O-N 3.14Å; I15-F195 HydrophobicContact CD1-CD2 3.49Å; I15-F195 VanDerWaalsContact CD1-CD2 3.49Å; I15-F195 HydrophobicContact CD1-CE2 3.64Å; I15-F195 HydrophobicContact CG1-CD2 4.3Å; I15-F195 HydrophobicContact CG1-CE2 4.28Å; I15-K202 HydrophobicContact CD1-CB 3.83Å; I15-K202 HydrophobicContact CG1-CB 4.43Å; I15-L203 VanDerWaalsContact CD1-O 3.26Å; I15-L203 WeakPolarHBondContact CD1-O 3.32Å; I15-A221 HydrophobicContact CB-CB 4.37Å; I15-A221 HydrophobicContact CG2-CB 3.55Å; I15-R223 HydrophobicContact CG2-CB 4.41Å; I15-K233 VanDerWaalsContact C-NZ 3.32Å; I15-K233 WeakPolarHBondContact O-CE 3.37Å; I15-K233 PolarHBondContact O-NZ 2.86Å
16F97.1Very high96.1Very high8 Ų839 Ų394%0.03520%0.202CC..Hα-helixtrans-78.3-28.2177.1-76-84.5000113.9A12 R13 F20 G204 R206 A221 K235A12-F16 WeakPolarHBondContact O-CD2 3.43Å; A12-F16 PolarHBondContact O-N 2.74Å; R13-F16 PolarHBondContact O-N 2.94Å; F16-F20 WeakPolarHBondContact O-CD2 3.33Å; F16-G204 WeakPolarHBondContact CZ-O 3.28Å; F16-R206 HydrophobicContact CE1-CG 4.23Å; F16-R206 HydrophobicContact CE2-CB 4.38Å; F16-R206 HydrophobicContact CE2-CG 4.25Å; F16-R206 HydrophobicContact CZ-CB 4.42Å; F16-R206 HydrophobicContact CZ-CG 3.89Å; F16-A221 HydrophobicContact CD1-CB 3.79Å; F16-A221 HydrophobicContact CD2-CB 4.13Å; F16-A221 HydrophobicContact CE1-CB 3.57Å; F16-A221 HydrophobicContact CE2-CB 3.93Å; F16-A221 HydrophobicContact CG-CB 4.06Å; F16-A221 HydrophobicContact CZ-CB 3.64Å; F16-K235 HydrophobicContact CD1-CB 4.35Å; F16-K235 HydrophobicContact CD1-CD 4.38Å; F16-K235 WeakPolarHBondContact O-CD 3.37Å; F16-K235 PolarHBondContact O-NZ 3.03Å
17D95.6Very high96.2Very high91 Ų9141.5 Ų41.549%0.48720%0.201SC..Hα-helixtrans-108.3-50.2-164.8-58.5-23.9000113.4R13 N19 F20R13-D17 WeakPolarHBondContact O-CB 3.43Å; R13-D17 VanDerWaalsContact O-CG 3.28Å; R13-D17 PolarHBondContact O-N 2.84Å; D17-N19 PolarHBondContact O-N 2.98Å; D17-F20 PolarHBondContact O-N 3.32Å
18K94.5Very high96.2Very high105 Ų10541.2 Ų41.246%0.45720%0.197SC..THydrogen-bonded Turntrans-62.6138.3-168.7-71-177.41691650113D14 F20 K233D14-K18 HydrophobicContact CB-CD 4.05Å; D14-K18 HydrophobicContact CB-CG 4.49Å; D14-K18 VanDerWaalsContact CG-CE 3.43Å; D14-K18 WeakPolarHBondContact O-CB 3.31Å; D14-K18 PolarHBondContact O-N 2.88Å; D14-K18 WeakPolarHBondContact OD1-CE 3.28Å; D14-K18 IonicContact OD1-NZ 2.67Å; D14-K18 PolarHBondContact OD1-NZ 2.88Å; D14-K18 VanDerWaalsContact OD1-NZ 3.08Å; D14-K18 WeakPolarHBondContact OD2-CE 3.37Å; D14-K18 IonicContact OD2-NZ 3.99Å; D14-K18 PolarHBondContact OD2-NZ 3.08Å; K18-F20 PolarHBondContact O-N 2.81Å; K18-K233 PolarHBondContact O-NZ 2.83Å
19N92.6Very high96.3Very high38 Ų3845.8 Ų45.820%0.20322%0.218CC..THydrogen-bonded Turntrans66.77.5-179.9-37.8-49.3000115.8D17D17-N19 PolarHBondContact O-N 2.98Å
20F95Very high96.3Very high20 Ų2048.1 Ų48.19%0.08823%0.227CC..  trans-98.680.3170.9-69-62.9000109.9F16 D17 K18 F22 K233 K235 A245 C259F16-F20 WeakPolarHBondContact O-CD2 3.33Å; D17-F20 PolarHBondContact O-N 3.32Å; K18-F20 PolarHBondContact O-N 2.81Å; F20-F22 HydrophobicContact CB-CD2 4.37Å; F20-F22 HydrophobicContact CB-CE1 4.2Å; F20-F22 HydrophobicContact CB-CE2 3.81Å; F20-F22 HydrophobicContact CB-CZ 3.72Å; F20-F22 AromaticContact CD1-CE1 3.53Å; F20-F22 HydrophobicContact CD1-CE1 3.53Å; F20-F22 HydrophobicContact CD1-CE2 4.09Å; F20-F22 AromaticContact CD1-CZ 3.17Å; F20-F22 HydrophobicContact CD1-CZ 3.17Å; F20-F22 HydrophobicContact CE1-CE1 4.33Å; F20-F22 AromaticContact CE1-CZ 3.91Å; F20-F22 HydrophobicContact CE1-CZ 3.91Å; F20-F22 HydrophobicContact CG-CE1 4.29Å; F20-F22 HydrophobicContact CG-CE2 4.18Å; F20-F22 AromaticContact CG-CZ 3.7Å; F20-F22 HydrophobicContact CG-CZ 3.7Å; F20-K233 HydrophobicContact CE1-CB 4.36Å; F20-K233 HydrophobicContact CE2-CB 4.23Å; F20-K233 HydrophobicContact CE2-CD 4.43Å; F20-K233 HydrophobicContact CZ-CB 3.71Å; F20-K235 HydrophobicContact CD2-CD 3.91Å; F20-K235 HydrophobicContact CE1-CG 4.33Å; F20-K235 HydrophobicContact CE2-CB 4.34Å; F20-K235 HydrophobicContact CE2-CD 3.62Å; F20-K235 HydrophobicContact CE2-CG 3.89Å; F20-K235 HydrophobicContact CG-CD 4.49Å; F20-K235 HydrophobicContact CZ-CB 4.24Å; F20-K235 HydrophobicContact CZ-CD 3.99Å; F20-K235 HydrophobicContact CZ-CG 3.74Å; F20-A245 HydrophobicContact CD1-CB 3.72Å; F20-A245 HydrophobicContact CE1-CB 3.58Å; F20-A245 HydrophobicContact CZ-CB 4.39Å; F20-C259 HydrophobicContact CD1-CB 4.42Å
21S94.2Very high96.2Very high28 Ų2847.8 Ų47.820%0.19623%0.233CC..  trans-102.556.9178-62.60000110.8G23 F24 C259 M277S21-G23 PolarHBondContact O-N 2.87Å; S21-F24 PolarHBondContact O-N 2.76Å; S21-C259 VanDerWaalsContact C-SG 3.52Å; S21-C259 PolarHBondContact N-SG 3.48Å; S21-M277 WeakPolarHBondContact OG-CE 3.25Å
22F95.4Very high96.1Very high27 Ų2751.4 Ų51.412%0.11824%0.244CC..THydrogen-bonded Turntrans-59.9135.1-176.9-51.9-52.5000111.8F20 F24 C259 T260 Q261 K273F20-F22 HydrophobicContact CB-CD2 4.37Å; F20-F22 HydrophobicContact CB-CE1 4.2Å; F20-F22 HydrophobicContact CB-CE2 3.81Å; F20-F22 HydrophobicContact CB-CZ 3.72Å; F20-F22 AromaticContact CD1-CE1 3.53Å; F20-F22 HydrophobicContact CD1-CE1 3.53Å; F20-F22 HydrophobicContact CD1-CE2 4.09Å; F20-F22 AromaticContact CD1-CZ 3.17Å; F20-F22 HydrophobicContact CD1-CZ 3.17Å; F20-F22 HydrophobicContact CE1-CE1 4.33Å; F20-F22 AromaticContact CE1-CZ 3.91Å; F20-F22 HydrophobicContact CE1-CZ 3.91Å; F20-F22 HydrophobicContact CG-CE1 4.29Å; F20-F22 HydrophobicContact CG-CE2 4.18Å; F20-F22 AromaticContact CG-CZ 3.7Å; F20-F22 HydrophobicContact CG-CZ 3.7Å; F22-F24 VanDerWaalsContact C-N 3.28Å; F22-F24 WeakPolarHBondContact O-CD2 3.09Å; F22-F24 WeakPolarHBondContact O-CE2 3.38Å; F22-C259 HydrophobicContact CD1-CB 4.02Å; F22-C259 HydrophobicContact CE1-CB 3.86Å; F22-T260 WeakPolarHBondContact CE1-O 3.38Å; F22-Q261 HydrophobicContact CB-CB 4.25Å; F22-Q261 HydrophobicContact CD1-CB 3.71Å; F22-Q261 HydrophobicContact CD2-CB 3.82Å; F22-Q261 HydrophobicContact CD2-CG 4.24Å; F22-Q261 VanDerWaalsContact CD2-OE1 3.23Å; F22-Q261 HydrophobicContact CE1-CB 3.88Å; F22-Q261 HydrophobicContact CE2-CB 3.96Å; F22-Q261 HydrophobicContact CE2-CG 4.23Å; F22-Q261 HydrophobicContact CG-CB 3.68Å; F22-Q261 HydrophobicContact CZ-CB 3.98Å; F22-K273 HydrophobicContact CB-CB 3.92Å; F22-K273 HydrophobicContact CB-CD 4.45Å
23G95.9Very high95.8Very high0 Ų054.5 Ų54.50%026%0.263CS..THydrogen-bonded Turntrans75.715.2-178.900000114S21 T47 Y274S21-G23 PolarHBondContact O-N 2.87Å; G23-T47 VanDerWaalsContact C-OG1 3.32Å; G23-T47 VanDerWaalsContact CA-OG1 3.3Å; G23-T47 WeakPolarHBondContact CA-OG1 2.79Å; G23-T47 PolarHBondContact O-N 2.85Å; G23-T47 PolarHBondContact O-OG1 2.54Å; G23-T47 VanDerWaalsContact O-OG1 3.06Å; G23-Y274 VanDerWaalsContact CA-O 3.25Å; G23-Y274 WeakPolarHBondContact CA-O 3.43Å; G23-Y274 PolarHBondContact N-O 2.89Å
24F96.8Very high95.4Very high47 Ų4758.8 Ų58.821%0.20629%0.288CS..EExtended strand (participates in β ladder)trans-134.3135.5-176.8-60.5-67.3000113S21 F22 K44 H45 D46 G275 I276S21-F24 PolarHBondContact O-N 2.76Å; F22-F24 VanDerWaalsContact C-N 3.28Å; F22-F24 WeakPolarHBondContact O-CD2 3.09Å; F22-F24 WeakPolarHBondContact O-CE2 3.38Å; F24-K44 HydrophobicContact CD1-CD 4.14Å; F24-K44 HydrophobicContact CD1-CG 4.14Å; F24-K44 VanDerWaalsContact CZ-NZ 3.33Å; F24-H45 VanDerWaalsContact CA-O 3.28Å; F24-H45 WeakPolarHBondContact CA-O 3.46Å; F24-D46 HydrophobicContact CD1-CB 4Å; F24-D46 HydrophobicContact CE1-CB 3.68Å; F24-D46 VanDerWaalsContact CE1-CG 3.48Å; F24-D46 WeakPolarHBondContact CE1-OD2 3.31Å; F24-G275 CarbonylContact O-C 3.54Å; F24-G275 WeakPolarHBondContact O-CA 3.2Å; F24-I276 PolarHBondContact O-N 2.87Å
25L97.3Very high95Very high38 Ų3862.8 Ų62.820%0.19931%0.309CS..EExtended strand (participates in β ladder)trans-104.4113.1166.3-45.2179.6000107.9F27 K44 H45 T47 Y274 I276L25-F27 HydrophobicContact CB-CE2 4.17Å; L25-K44 CarbonylContact O-C 3.56Å; L25-K44 WeakPolarHBondContact O-CA 3.44Å; L25-H45 HydrophobicContact CB-CB 4.2Å; L25-H45 PolarHBondContact N-O 2.76Å; L25-H45 PolarHBondContact O-N 2.81Å; L25-T47 HydrophobicContact CD1-CG2 4.46Å; L25-T47 HydrophobicContact CD2-CG2 4.42Å; L25-T47 HydrophobicContact CG-CG2 4.01Å; L25-Y274 HydrophobicContact CD2-CD2 4.46Å; L25-Y274 HydrophobicContact CD2-CE2 4.42Å; L25-I276 CarbonylContact C-O 3.51Å; L25-I276 WeakPolarHBondContact CA-O 3.49Å; L25-I276 HydrophobicContact CD2-CB 3.86Å; L25-I276 HydrophobicContact CD2-CD1 4.05Å; L25-I276 HydrophobicContact CD2-CG1 3.77Å
26N96.4Very high94.6Very high27 Ų2766.1 Ų66.114%0.14433%0.327CS..EExtended strand (participates in β ladder)trans-116.3132.8-175.9-54.3-79.2000110.1G43 K44 I276 M277 F278N26-G43 WeakPolarHBondContact CA-O 3.32Å; N26-K44 WeakPolarHBondContact OD1-CD 3.32Å; N26-K44 WeakPolarHBondContact OD1-CG 3.45Å; N26-I276 PolarHBondContact N-O 2.94Å; N26-M277 HydrophobicContact CB-CB 4.43Å; N26-M277 HydrophobicContact CB-CG 4.3Å; N26-M277 CarbonylContact O-C 3.49Å; N26-M277 VanDerWaalsContact O-CA 3.31Å; N26-M277 WeakPolarHBondContact O-CA 3.37Å; N26-F278 PolarHBondContact O-N 3.2Å
27F97Very high94.5Very high96 Ų9668.8 Ų68.842%0.42134%0.341SS..EExtended strand (participates in β ladder)trans-128.1130173.9-63.2-93.4000108.1L25 F29 G42 G43 F278L25-F27 HydrophobicContact CB-CE2 4.17Å; F27-F29 HydrophobicContact CB-CE2 4.33Å; F27-G42 CarbonylContact O-C 3.51Å; F27-G42 WeakPolarHBondContact O-CA 3.4Å; F27-G43 PolarHBondContact N-O 2.83Å; F27-G43 PolarHBondContact O-N 2.89Å; F27-F278 CarbonylContact C-O 3.57Å; F27-F278 WeakPolarHBondContact CA-O 3.38Å; F27-F278 HydrophobicContact CD1-CB 3.63Å; F27-F278 HydrophobicContact CD1-CD1 4.07Å; F27-F278 HydrophobicContact CD1-CG 4.22Å; F27-F278 HydrophobicContact CE1-CB 3.9Å
28E97.5Very high94.5Very high54 Ų5465.1 Ų65.125%0.25232%0.323SS..EExtended strand (participates in β ladder)trans-136.9127.2-179.1-169.2-177.410700108.9T40 F55 F278 K279 F280E28-T40 HydrophobicContact CG-CG2 3.46Å; E28-T40 VanDerWaalsContact CG-CG2 3.46Å; E28-F55 HydrophobicContact CG-CZ 4.5Å; E28-F278 PolarHBondContact N-O 2.93Å; E28-K279 HydrophobicContact CB-CG 4.23Å; E28-K279 CarbonylContact O-C 3.51Å; E28-K279 WeakPolarHBondContact O-CA 3.48Å; E28-K279 IonicContact OE1-NZ 3.57Å; E28-K279 PolarHBondContact OE1-NZ 3.37Å; E28-K279 IonicContact OE2-NZ 3.15Å; E28-K279 PolarHBondContact OE2-NZ 3.04Å; E28-F280 PolarHBondContact O-N 3.28Å
29F97.8Very high94.6Very high100 Ų10062.5 Ų62.544%0.43932%0.315SS..EExtended strand (participates in β ladder)trans-116.5122.2175.4-62.6-92.5000107.6F27 T40 C41 F278 F280F27-F29 HydrophobicContact CB-CE2 4.33Å; F29-T40 CarbonylContact O-C 3.6Å; F29-T40 VanDerWaalsContact O-CA 3.3Å; F29-T40 WeakPolarHBondContact O-CA 3.45Å; F29-C41 PolarHBondContact N-O 3.29Å; F29-C41 PolarHBondContact O-N 2.85Å; F29-F278 HydrophobicContact CE1-CE1 4.01Å; F29-F278 HydrophobicContact CZ-CD1 4.41Å; F29-F278 HydrophobicContact CZ-CE1 4.16Å; F29-F280 CarbonylContact C-O 3.53Å; F29-F280 WeakPolarHBondContact CA-O 3.36Å; F29-F280 HydrophobicContact CD1-CB 3.73Å; F29-F280 HydrophobicContact CD1-CD1 4.01Å; F29-F280 HydrophobicContact CD1-CG 4.18Å; F29-F280 HydrophobicContact CE1-CB 4.03Å; F29-F280 HydrophobicContact CE1-CG 4.49Å
30K97.3Very high94.9Very high50 Ų5061 Ų6122%0.21731%0.307CS..EExtended strand (participates in β ladder)trans-119.6132.9-179.5-178166.4172.9-74.40109.4V39 T40 F280 G281 S282K30-V39 CarbonylContact C-O 3.55Å; K30-V39 VanDerWaalsContact CA-O 3.31Å; K30-V39 WeakPolarHBondContact CA-O 3.31Å; K30-T40 HydrophobicContact CB-CG2 4.39Å; K30-T40 WeakPolarHBondContact CG-OG1 3.44Å; K30-F280 PolarHBondContact N-O 3.36Å; K30-G281 VanDerWaalsContact O-CA 3.23Å; K30-G281 WeakPolarHBondContact O-CA 3.43Å; K30-S282 PolarHBondContact NZ-O 2.93Å; K30-S282 PolarHBondContact NZ-OXT 3.32Å
31T95.3Very high95Very high79 Ų7963.1 Ų63.149%0.48532%0.324SS..EExtended strand (participates in β ladder)trans-122.8153.5171.761.50000108.4S38 V39T31-S38 CarbonylContact O-C 3.57Å; T31-S38 WeakPolarHBondContact O-CA 3.39Å; T31-V39 PolarHBondContact N-O 2.77Å; T31-V39 PolarHBondContact O-N 3.38Å
32K94.3Very high95.2Very high106 Ų10662.1 Ų62.146%0.46132%0.318SS..EExtended strand (participates in β ladder)trans-136.5124.8172.4-171178.9-179.6-160.20108.1D36 I37K32-D36 WeakPolarHBondContact CE-OD1 3.46Å; K32-D36 IonicContact NZ-OD1 3.09Å; K32-D36 PolarHBondContact NZ-OD1 2.89Å; K32-I37 CarbonylContact C-O 3.51Å; K32-I37 WeakPolarHBondContact CA-O 3.38Å
33T91.3Very high95.3Very high68 Ų6862.2 Ų62.242%0.41733%0.326SS..  trans-82.1166.117669.90000110.7N35 D36 I37T33-N35 PolarHBondContact O-N 2.9Å; T33-N35 PolarHBondContact OG1-N 2.95Å; T33-D36 PolarHBondContact O-N 2.85Å; T33-I37 HydrophobicContact CG2-CB 4.45Å; T33-I37 PolarHBondContact N-O 3.16Å; T33-I37 WeakPolarHBondContact OG1-CB 3.44Å; T33-I37 PolarHBondContact OG1-N 2.8Å; T33-I37 PolarHBondContact OG1-O 2.78Å
34E89.4Confident95.3Very high197 Ų19765.8 Ų65.892%0.92134%0.342SS*.THydrogen-bonded Turntrans-59.7-30.1175.1-63.2-178.9170.500112.5D36E34-D36 PolarHBondContact O-N 2.96Å; E34-D36 VanDerWaalsContact O-N 3.16Å
35N87.2Confident95.3Very high134 Ų13466.6 Ų66.672%0.71735%0.346SS*.THydrogen-bonded Turntrans-84.525.4178-64.4-21.9000113.2T33 I37T33-N35 PolarHBondContact O-N 2.9Å; T33-N35 PolarHBondContact OG1-N 2.95Å; N35-I37 PolarHBondContact O-N 3.32Å; N35-I37 VanDerWaalsContact O-N 3.08Å
36D88.3Confident95.2Very high75 Ų7566.7 Ų66.740%0.40135%0.347SS..SBendtrans59.317.3179.1-82.5-36.7000115.7K32 T33 E34 S38K32-D36 WeakPolarHBondContact CE-OD1 3.46Å; K32-D36 IonicContact NZ-OD1 3.09Å; K32-D36 PolarHBondContact NZ-OD1 2.89Å; T33-D36 PolarHBondContact O-N 2.85Å; E34-D36 PolarHBondContact O-N 2.96Å; E34-D36 VanDerWaalsContact O-N 3.16Å; D36-S38 PolarHBondContact O-N 2.81Å
37I94.6Very high95Very high65 Ų6567.2 Ų67.233%0.33335%0.351SS..  trans-84.3117.6173.6-54.5175.4000108K32 T33 N35 K59 L60K32-I37 CarbonylContact C-O 3.51Å; K32-I37 WeakPolarHBondContact CA-O 3.38Å; T33-I37 HydrophobicContact CG2-CB 4.45Å; T33-I37 PolarHBondContact N-O 3.16Å; T33-I37 WeakPolarHBondContact OG1-CB 3.44Å; T33-I37 PolarHBondContact OG1-N 2.8Å; T33-I37 PolarHBondContact OG1-O 2.78Å; N35-I37 PolarHBondContact O-N 3.32Å; N35-I37 VanDerWaalsContact O-N 3.08Å; I37-K59 CarbonylContact C-O 3.51Å; I37-K59 WeakPolarHBondContact CA-O 3.44Å; I37-L60 HydrophobicContact CG1-CB 4.1Å; I37-L60 HydrophobicContact CG2-CB 4.44Å
38S96Very high94.7Very high14 Ų1467.5 Ų67.510%0.09836%0.357CS..EExtended strand (participates in β ladder)trans-102134.9172.9-47.70000110.6T31 D36 S58 K59T31-S38 CarbonylContact O-C 3.57Å; T31-S38 WeakPolarHBondContact O-CA 3.39Å; D36-S38 PolarHBondContact O-N 2.81Å; S38-S58 CarbonylContact O-C 3.58Å; S38-S58 WeakPolarHBondContact O-CA 3.25Å; S38-K59 PolarHBondContact N-O 2.87Å; S38-K59 PolarHBondContact O-N 2.87Å
39V97.3Very high94.5Very high49 Ų4967.9 Ų67.930%0.29737%0.369SS..EExtended strand (participates in β ladder)trans-117.2135.7170.2-179.10000107.9K30 T31 L56 E57K30-V39 CarbonylContact C-O 3.55Å; K30-V39 VanDerWaalsContact CA-O 3.31Å; K30-V39 WeakPolarHBondContact CA-O 3.31Å; T31-V39 PolarHBondContact N-O 2.77Å; T31-V39 PolarHBondContact O-N 3.38Å; V39-L56 HydrophobicContact CG1-CD1 3.67Å; V39-E57 CarbonylContact C-O 3.57Å; V39-E57 WeakPolarHBondContact CA-O 3.44Å
40T97.7Very high94.2Very high7 Ų765.8 Ų65.84%0.04338%0.376CS..EExtended strand (participates in β ladder)trans-128.6115.8175-560000108.5E28 F29 K30 F55 E57E28-T40 HydrophobicContact CG-CG2 3.46Å; E28-T40 VanDerWaalsContact CG-CG2 3.46Å; F29-T40 CarbonylContact O-C 3.6Å; F29-T40 VanDerWaalsContact O-CA 3.3Å; F29-T40 WeakPolarHBondContact O-CA 3.45Å; K30-T40 HydrophobicContact CB-CG2 4.39Å; K30-T40 WeakPolarHBondContact CG-OG1 3.44Å; T40-F55 HydrophobicContact CG2-CE2 4.02Å; T40-F55 HydrophobicContact CG2-CZ 4.27Å; T40-E57 PolarHBondContact N-O 2.82Å; T40-E57 PolarHBondContact O-N 2.78Å
41C97.9Very high94.1Very high65 Ų6570.7 Ų70.744%0.43939%0.393SS..EExtended strand (participates in β ladder)trans-106.5134.5171.5-176.50000108F29 F55 L56F29-C41 PolarHBondContact N-O 3.29Å; F29-C41 PolarHBondContact O-N 2.85Å; C41-F55 WeakPolarHBondContact CA-O 2.99Å; C41-L56 HydrophobicContact CB-CD1 3.99Å
42G97.6Very high94.2Very high7 Ų772 Ų727%0.07240%0.401CS..EExtended strand (participates in β ladder)trans-150.5158.3179.900000113.5F27 G54 F55F27-G42 CarbonylContact O-C 3.51Å; F27-G42 WeakPolarHBondContact O-CA 3.4Å; G42-G54 CarbonylContact O-C 3.56Å; G42-G54 VanDerWaalsContact O-CA 3.25Å; G42-G54 WeakPolarHBondContact O-CA 3.48Å; G42-F55 PolarHBondContact N-O 2.85Å; G42-F55 PolarHBondContact O-N 3.16Å
43G97.4Very high94.3Very high28 Ų2869.3 Ų69.329%0.28940%0.395SS..EExtended strand (participates in β ladder)trans-134.4150.6178.300000111.1N26 F27 S53N26-G43 WeakPolarHBondContact CA-O 3.32Å; F27-G43 PolarHBondContact N-O 2.83Å; F27-G43 PolarHBondContact O-N 2.89Å; G43-S53 CarbonylContact C-O 3.44Å; G43-S53 WeakPolarHBondContact CA-O 3.41Å
44K95.9Very high94.6Very high75 Ų7567.2 Ų67.233%0.32639%0.387SS..EExtended strand (participates in β ladder)trans-140.3125178.7175.2174.2-179.3-169.60109.9F24 L25 N26 V52 S53F24-K44 HydrophobicContact CD1-CD 4.14Å; F24-K44 HydrophobicContact CD1-CG 4.14Å; F24-K44 VanDerWaalsContact CZ-NZ 3.33Å; L25-K44 CarbonylContact O-C 3.56Å; L25-K44 WeakPolarHBondContact O-CA 3.44Å; N26-K44 WeakPolarHBondContact OD1-CD 3.32Å; N26-K44 WeakPolarHBondContact OD1-CG 3.45Å; K44-V52 WeakPolarHBondContact O-CA 3.43Å; K44-S53 PolarHBondContact N-O 3.27Å; K44-S53 PolarHBondContact O-N 2.94Å; K44-S53 PolarHBondContact O-OG 3.33Å
45H97Very high95Very high64 Ų6460.1 Ų60.130%0.29635%0.354SS..EExtended strand (participates in β ladder)trans-103.2121.8168.4178.6-160000109.3F24 L25 R51 V52F24-H45 VanDerWaalsContact CA-O 3.28Å; F24-H45 WeakPolarHBondContact CA-O 3.46Å; L25-H45 HydrophobicContact CB-CB 4.2Å; L25-H45 PolarHBondContact N-O 2.76Å; L25-H45 PolarHBondContact O-N 2.81Å; H45-R51 WeakPolarHBondContact CA-O 3.24Å; H45-V52 HydrophobicContact CB-CG2 4.26Å
46D95.7Very high95.5Very high41 Ų4158.3 Ų58.322%0.21934%0.343CS..EExtended strand (participates in β ladder)trans-83.3108.3166.8-172.1-33.1000109.5F24 N48 A49 G50 R51F24-D46 HydrophobicContact CD1-CB 4Å; F24-D46 HydrophobicContact CE1-CB 3.68Å; F24-D46 VanDerWaalsContact CE1-CG 3.48Å; F24-D46 WeakPolarHBondContact CE1-OD2 3.31Å; D46-N48 PolarHBondContact O-N 2.88Å; D46-N48 WeakPolarHBondContact OD1-CB 3.38Å; D46-N48 PolarHBondContact OD1-N 2.88Å; D46-A49 HydrophobicContact CB-CB 4.2Å; D46-A49 PolarHBondContact OD1-N 3.36Å; D46-G50 WeakPolarHBondContact O-CA 3.32Å; D46-G50 PolarHBondContact O-N 2.72Å; D46-R51 HydrophobicContact CB-CB 4.46Å; D46-R51 PolarHBondContact N-O 2.87Å; D46-R51 PolarHBondContact O-N 2.91Å
47T92.6Very high96Very high37 Ų3755.7 Ų55.723%0.22733%0.329CS..THydrogen-bonded Turntrans-72.9-18.7-175.463.40000112.8G23 L25 Y274G23-T47 VanDerWaalsContact C-OG1 3.32Å; G23-T47 VanDerWaalsContact CA-OG1 3.3Å; G23-T47 WeakPolarHBondContact CA-OG1 2.79Å; G23-T47 PolarHBondContact O-N 2.85Å; G23-T47 PolarHBondContact O-OG1 2.54Å; G23-T47 VanDerWaalsContact O-OG1 3.06Å; L25-T47 HydrophobicContact CD1-CG2 4.46Å; L25-T47 HydrophobicContact CD2-CG2 4.42Å; L25-T47 HydrophobicContact CG-CG2 4.01Å; T47-Y274 HydrophobicContact CG2-CE2 4.35Å
48N90.3Very high96.1Very high103 Ų10354.6 Ų54.655%0.55133%0.327SS*.THydrogen-bonded Turntrans-84.4-41.8177.6-57.4-41.9000110.5D46D46-N48 PolarHBondContact O-N 2.88Å; D46-N48 WeakPolarHBondContact OD1-CB 3.38Å; D46-N48 PolarHBondContact OD1-N 2.88Å
49A93.1Very high96.2Very high61 Ų6157.8 Ų57.850%0.50434%0.339SS..THydrogen-bonded Turntrans-91.3-7.2-17800000114D46 R51D46-A49 HydrophobicContact CB-CB 4.2Å; D46-A49 PolarHBondContact OD1-N 3.36Å; A49-R51 HydrophobicContact CB-CB 4.31Å; A49-R51 PolarHBondContact O-N 2.85Å
50G92.8Very high96.1Very high56 Ų5658.2 Ų58.258%0.57734%0.339SS*.THydrogen-bonded Turntrans63.715.9-173.700000113.9D46D46-G50 WeakPolarHBondContact O-CA 3.32Å; D46-G50 PolarHBondContact O-N 2.72Å
51R94.8Very high95.9Very high153 Ų15362.9 Ų62.958%0.57736%0.359SS*.EExtended strand (participates in β ladder)trans-94.9131.1-171.5-169.4-178.6-56175.12.5110.8H45 D46 A49H45-R51 WeakPolarHBondContact CA-O 3.24Å; D46-R51 HydrophobicContact CB-CB 4.46Å; D46-R51 PolarHBondContact N-O 2.87Å; D46-R51 PolarHBondContact O-N 2.91Å; A49-R51 HydrophobicContact CB-CB 4.31Å; A49-R51 PolarHBondContact O-N 2.85Å
52V96.5Very high95.7Very high107 Ų10762.8 Ų62.865%0.64836%0.363SS*.EExtended strand (participates in β ladder)trans-105.1138171.3-175.60000109.4K44 H45K44-V52 WeakPolarHBondContact O-CA 3.43Å; H45-V52 HydrophobicContact CB-CG2 4.26Å
53S96.2Very high95.5Very high49 Ų4964.4 Ų64.434%0.34338%0.375SS..EExtended strand (participates in β ladder)trans-138.1150.1175.2550000109.9G43 K44 S74G43-S53 CarbonylContact C-O 3.44Å; G43-S53 WeakPolarHBondContact CA-O 3.41Å; K44-S53 PolarHBondContact N-O 3.27Å; K44-S53 PolarHBondContact O-N 2.94Å; K44-S53 PolarHBondContact O-OG 3.33Å; S53-S74 WeakPolarHBondContact CA-OG 3.38Å
54G97.6Very high95.3Very high25 Ų2567.3 Ų67.326%0.25839%0.389SS..EExtended strand (participates in β ladder)trans-130.4165.8178.600000111.5G42 D73 S74G42-G54 CarbonylContact O-C 3.56Å; G42-G54 VanDerWaalsContact O-CA 3.25Å; G42-G54 WeakPolarHBondContact O-CA 3.48Å; G54-D73 CarbonylContact O-C 3.53Å; G54-D73 WeakPolarHBondContact O-CA 3.49Å; G54-D73 WeakPolarHBondContact O-CB 3.48Å; G54-S74 PolarHBondContact N-OG 2.77Å; G54-S74 VanDerWaalsContact N-OG 3.12Å; G54-S74 PolarHBondContact O-N 2.67Å
55F98Very high95.1Very high48 Ų4864.8 Ų64.821%0.21139%0.385CS..EExtended strand (participates in β ladder)trans-152.3155.6169.470.7-87.1000112E28 T40 C41 G42 E57 K71 V72 D73E28-F55 HydrophobicContact CG-CZ 4.5Å; T40-F55 HydrophobicContact CG2-CE2 4.02Å; T40-F55 HydrophobicContact CG2-CZ 4.27Å; C41-F55 WeakPolarHBondContact CA-O 2.99Å; G42-F55 PolarHBondContact N-O 2.85Å; G42-F55 PolarHBondContact O-N 3.16Å; F55-E57 HydrophobicContact CD2-CB 4.16Å; F55-E57 HydrophobicContact CE2-CB 4.22Å; F55-K71 VanDerWaalsContact CB-CE 3.5Å; F55-K71 HydrophobicContact CB-CG 4.44Å; F55-K71 HydrophobicContact CD2-CD 4.34Å; F55-K71 HydrophobicContact CD2-CG 4.38Å; F55-V72 CarbonylContact C-O 3.56Å; F55-V72 VanDerWaalsContact CA-O 3.27Å; F55-V72 WeakPolarHBondContact CA-O 3.36Å; F55-V72 WeakPolarHBondContact CB-O 3.07Å; F55-D73 HydrophobicContact CB-CB 4.16Å
56L98.3Very high95.1Very high96 Ų9663.2 Ų63.250%0.50338%0.379SS..EExtended strand (participates in β ladder)trans-122.1128.1166.1-174.466.5000108.4V39 C41 K71 V72V39-L56 HydrophobicContact CG1-CD1 3.67Å; C41-L56 HydrophobicContact CB-CD1 3.99Å; L56-K71 CarbonylContact O-C 3.51Å; L56-K71 WeakPolarHBondContact O-CA 3.49Å; L56-V72 PolarHBondContact N-O 3.17Å; L56-V72 PolarHBondContact O-N 3.27Å
57E98.1Very high95.1Very high20 Ų2064.7 Ų64.79%0.09339%0.385CS..EExtended strand (participates in β ladder)trans-124.2129.9178.1179.5178.6111.700109.3V39 T40 F55 K59 K69 T70 K71V39-E57 CarbonylContact C-O 3.57Å; V39-E57 WeakPolarHBondContact CA-O 3.44Å; T40-E57 PolarHBondContact N-O 2.82Å; T40-E57 PolarHBondContact O-N 2.78Å; F55-E57 HydrophobicContact CD2-CB 4.16Å; F55-E57 HydrophobicContact CE2-CB 4.22Å; E57-K59 WeakPolarHBondContact OE1-CE 3.48Å; E57-K59 IonicContact OE1-NZ 3.08Å; E57-K59 PolarHBondContact OE1-NZ 3.08Å; E57-K69 HydrophobicContact CG-CG 4.12Å; E57-K69 VanDerWaalsContact OE1-CE 3.31Å; E57-K69 WeakPolarHBondContact OE1-CE 3.19Å; E57-K69 WeakPolarHBondContact OE2-CE 3.27Å; E57-K69 IonicContact OE2-NZ 2.76Å; E57-K69 PolarHBondContact OE2-NZ 2.79Å; E57-T70 CarbonylContact C-O 3.55Å; E57-T70 VanDerWaalsContact CA-O 3.3Å; E57-T70 WeakPolarHBondContact CA-O 3.29Å; E57-K71 HydrophobicContact CB-CB 4.25Å; E57-K71 HydrophobicContact CB-CG 4.21Å; E57-K71 HydrophobicContact CG-CB 4.26Å
58S97.6Very high95.3Very high41 Ų4165.6 Ų65.629%0.28739%0.388SS..EExtended strand (participates in β ladder)trans-111.2143.6168.164.20000109.7S38 K69 T70S38-S58 CarbonylContact O-C 3.58Å; S38-S58 WeakPolarHBondContact O-CA 3.25Å; S58-K69 CarbonylContact O-C 3.58Å; S58-K69 WeakPolarHBondContact O-CA 2.97Å; S58-T70 PolarHBondContact N-O 2.79Å; S58-T70 PolarHBondContact O-N 2.84Å
59K97.2Very high95.7Very high82 Ų8263.3 Ų63.336%0.35737%0.373SS..EExtended strand (participates in β ladder)trans-131.8130.5171.3-72.4175.2173.8142.70107.9I37 S38 E57 L68 K69I37-K59 CarbonylContact C-O 3.51Å; I37-K59 WeakPolarHBondContact CA-O 3.44Å; S38-K59 PolarHBondContact N-O 2.87Å; S38-K59 PolarHBondContact O-N 2.87Å; E57-K59 WeakPolarHBondContact OE1-CE 3.48Å; E57-K59 IonicContact OE1-NZ 3.08Å; E57-K59 PolarHBondContact OE1-NZ 3.08Å; K59-L68 CarbonylContact C-O 3.53Å; K59-L68 WeakPolarHBondContact CA-O 3.25Å; K59-K69 HydrophobicContact CD-CD 4.48Å; K59-K69 HydrophobicContact CD-CG 4.44Å; K59-K69 VanDerWaalsContact CE-CD 3.49Å; K59-K69 HydrophobicContact CG-CB 3.86Å; K59-K69 HydrophobicContact CG-CD 4.17Å; K59-K69 HydrophobicContact CG-CG 3.63Å
60L95.9Very high95.9Very high57 Ų5761.7 Ų61.730%0.29836%0.357SS..EExtended strand (participates in β ladder)trans-140.3152.9174.664.888000110.2I37 A62 L68I37-L60 HydrophobicContact CG1-CB 4.1Å; I37-L60 HydrophobicContact CG2-CB 4.44Å; L60-A62 HydrophobicContact CD1-CB 3.8Å; L60-L68 HydrophobicContact CD1-CB 3.96Å; L60-L68 HydrophobicContact CD1-CD2 4.33Å; L60-L68 HydrophobicContact CD2-CD2 4.4Å; L60-L68 HydrophobicContact CG-CB 4.16Å; L60-L68 HydrophobicContact CG-CD2 4.44Å; L60-L68 PolarHBondContact N-O 2.81Å; L60-L68 PolarHBondContact O-N 2.87Å; L60-L68 VanDerWaalsContact O-O 3.13Å
61K94.5Very high96.2Very high105 Ų10562.3 Ų62.346%0.45734%0.344SS..EExtended strand (participates in β ladder)trans-90.6100.8171.3-174.8178.9177.6-174.70107.8A63 V66K61-A63 WeakPolarHBondContact CG-O 3.47Å; K61-V66 CarbonylContact C-O 3.51Å
62A92.8Very high96.3Very high63 Ų6357.1 Ų57.152%0.52133%0.329SS..EExtended strand (participates in β ladder)trans-72-33.8-174.600000111.8L60 V66 L68L60-A62 HydrophobicContact CD1-CB 3.8Å; A62-V66 HydrophobicContact CB-CG1 4.27Å; A62-V66 PolarHBondContact N-O 2.81Å; A62-L68 HydrophobicContact CB-CB 4.46Å
63A93Very high96.3Very high41 Ų4154.1 Ų54.134%0.33931%0.309SS..EExtended strand (participates in β ladder)trans-153.8167.7172.400000109.1K61 G65 V66K61-A63 WeakPolarHBondContact CG-O 3.47Å; A63-G65 PolarHBondContact O-N 3.48Å; A63-G65 VanDerWaalsContact O-N 3.16Å; A63-V66 HydrophobicContact CB-CB 4.1Å; A63-V66 HydrophobicContact CB-CG2 4.19Å; A63-V66 PolarHBondContact N-O 2.77Å; A63-V66 PolarHBondContact O-N 3.49Å
64P92.5Very high96.3Very high90 Ų9055 Ų5558%0.58432%0.316SS*.THydrogen-bonded Turntrans-52.4124.8171.2-2635.2000110.5V66 K87P64-V66 PolarHBondContact O-N 3.27Å; P64-K87 WeakPolarHBondContact O-CE 3.12Å; P64-K87 PolarHBondContact O-NZ 2.75Å
65G93Very high96Very high22 Ų2259.5 Ų59.523%0.22733%0.328CS..THydrogen-bonded Turntrans72.17.8-177.200000115.6A63 V84 D85A63-G65 PolarHBondContact O-N 3.48Å; A63-G65 VanDerWaalsContact O-N 3.16Å; G65-V84 CarbonylContact O-C 3.54Å; G65-V84 WeakPolarHBondContact O-CA 3.48Å; G65-D85 PolarHBondContact O-N 2.76Å
66V96.1Very high95.8Very high30 Ų3066 Ų6618%0.18235%0.351CS..EExtended strand (participates in β ladder)trans-124.9117.6175.2-175.20000109.4K61 A62 A63 P64 I82 E83 V84K61-V66 CarbonylContact C-O 3.51Å; A62-V66 HydrophobicContact CB-CG1 4.27Å; A62-V66 PolarHBondContact N-O 2.81Å; A63-V66 HydrophobicContact CB-CB 4.1Å; A63-V66 HydrophobicContact CB-CG2 4.19Å; A63-V66 PolarHBondContact N-O 2.77Å; A63-V66 PolarHBondContact O-N 3.49Å; P64-V66 PolarHBondContact O-N 3.27Å; V66-I82 HydrophobicContact CG1-CG2 4.28Å; V66-E83 CarbonylContact C-O 3.48Å; V66-E83 WeakPolarHBondContact CA-O 3.3Å; V66-V84 HydrophobicContact CG1-CG2 4.38Å; V66-V84 HydrophobicContact CG2-CG1 4.41Å; V66-V84 HydrophobicContact CG2-CG2 4.42Å
67H96.1Very high95.7Very high73 Ų7363.8 Ų63.834%0.33834%0.34SS..EExtended strand (participates in β ladder)trans-113.5130.2179.3-60.4-82.2000109.6I82 E83H67-I82 WeakPolarHBondContact O-CA 3.29Å; H67-E83 HydrophobicContact CB-CB 4.3Å; H67-E83 PolarHBondContact N-O 3.18Å; H67-E83 PolarHBondContact O-N 3.02Å
68L97.7Very high95.7Very high56 Ų5667 Ų6729%0.29336%0.356SS..EExtended strand (participates in β ladder)trans-110.1132.8172.617666.8000108.4K59 L60 A62 E81 I82K59-L68 CarbonylContact C-O 3.53Å; K59-L68 WeakPolarHBondContact CA-O 3.25Å; L60-L68 HydrophobicContact CD1-CB 3.96Å; L60-L68 HydrophobicContact CD1-CD2 4.33Å; L60-L68 HydrophobicContact CD2-CD2 4.4Å; L60-L68 HydrophobicContact CG-CB 4.16Å; L60-L68 HydrophobicContact CG-CD2 4.44Å; L60-L68 PolarHBondContact N-O 2.81Å; L60-L68 PolarHBondContact O-N 2.87Å; L60-L68 VanDerWaalsContact O-O 3.13Å; A62-L68 HydrophobicContact CB-CB 4.46Å; L68-E81 CarbonylContact C-O 3.59Å; L68-E81 WeakPolarHBondContact CA-O 3.43Å; L68-I82 HydrophobicContact CD1-CG1 3.75Å
69K97.9Very high95.7Very high55 Ų5566.4 Ų66.424%0.23935%0.351CS..EExtended strand (participates in β ladder)trans-132.1133173.4172.8-165.9-179.9-1620109.2E57 S58 K59 S80 E81E57-K69 HydrophobicContact CG-CG 4.12Å; E57-K69 VanDerWaalsContact OE1-CE 3.31Å; E57-K69 WeakPolarHBondContact OE1-CE 3.19Å; E57-K69 WeakPolarHBondContact OE2-CE 3.27Å; E57-K69 IonicContact OE2-NZ 2.76Å; E57-K69 PolarHBondContact OE2-NZ 2.79Å; S58-K69 CarbonylContact O-C 3.58Å; S58-K69 WeakPolarHBondContact O-CA 2.97Å; K59-K69 HydrophobicContact CD-CD 4.48Å; K59-K69 HydrophobicContact CD-CG 4.44Å; K59-K69 VanDerWaalsContact CE-CD 3.49Å; K59-K69 HydrophobicContact CG-CB 3.86Å; K59-K69 HydrophobicContact CG-CD 4.17Å; K59-K69 HydrophobicContact CG-CG 3.63Å; K69-S80 CarbonylContact O-C 3.55Å; K69-S80 WeakPolarHBondContact O-CA 3.24Å; K69-E81 HydrophobicContact CB-CB 4.17Å; K69-E81 HydrophobicContact CD-CB 4.44Å; K69-E81 WeakPolarHBondContact CD-OE2 3.37Å; K69-E81 PolarHBondContact N-O 2.95Å; K69-E81 IonicContact NZ-OE2 2.71Å; K69-E81 PolarHBondContact NZ-OE2 2.89Å; K69-E81 PolarHBondContact O-N 3.17Å
70T98.1Very high95.7Very high27 Ų2764.2 Ų64.217%0.16635%0.345CS..EExtended strand (participates in β ladder)trans-128.7132.6175.8-63.10000109E57 S58 M78 T79 S80E57-T70 CarbonylContact C-O 3.55Å; E57-T70 VanDerWaalsContact CA-O 3.3Å; E57-T70 WeakPolarHBondContact CA-O 3.29Å; S58-T70 PolarHBondContact N-O 2.79Å; S58-T70 PolarHBondContact O-N 2.84Å; T70-M78 HydrophobicContact CG2-CE 3.6Å; T70-T79 CarbonylContact C-O 3.46Å; T70-T79 WeakPolarHBondContact CA-O 3.36Å; T70-S80 PolarHBondContact OG1-OG 3.38Å
71K98.1Very high95.8Very high69 Ų6963.3 Ų63.330%0.334%0.34SS..EExtended strand (participates in β ladder)trans-126134176.3-178.3-179.7176.4-177.40109.5F55 L56 E57 M78 T79F55-K71 VanDerWaalsContact CB-CE 3.5Å; F55-K71 HydrophobicContact CB-CG 4.44Å; F55-K71 HydrophobicContact CD2-CD 4.34Å; F55-K71 HydrophobicContact CD2-CG 4.38Å; L56-K71 CarbonylContact O-C 3.51Å; L56-K71 WeakPolarHBondContact O-CA 3.49Å; E57-K71 HydrophobicContact CB-CB 4.25Å; E57-K71 HydrophobicContact CB-CG 4.21Å; E57-K71 HydrophobicContact CG-CB 4.26Å; K71-M78 CarbonylContact O-C 3.59Å; K71-M78 WeakPolarHBondContact O-CA 3.34Å; K71-T79 PolarHBondContact N-O 3.17Å; K71-T79 PolarHBondContact O-N 2.69Å
72V97.9Very high96Very high43 Ų4362 Ų6226%0.26134%0.337SS..EExtended strand (participates in β ladder)trans-123132.2170.1-176.60000107.4F55 L56 W76 M78F55-V72 CarbonylContact C-O 3.56Å; F55-V72 VanDerWaalsContact CA-O 3.27Å; F55-V72 WeakPolarHBondContact CA-O 3.36Å; F55-V72 WeakPolarHBondContact CB-O 3.07Å; L56-V72 PolarHBondContact N-O 3.17Å; L56-V72 PolarHBondContact O-N 3.27Å; V72-W76 HydrophobicContact CG1-CE3 4.18Å; V72-M78 HydrophobicContact CG2-CG 4.16Å
73D96.3Very high96.2Very high44 Ų4461.5 Ų61.524%0.23532%0.324CS..EExtended strand (participates in β ladder)trans-104.9175.2175.175.716.1000112.8G54 F55 K75 W76 L77G54-D73 CarbonylContact O-C 3.53Å; G54-D73 WeakPolarHBondContact O-CA 3.49Å; G54-D73 WeakPolarHBondContact O-CB 3.48Å; F55-D73 HydrophobicContact CB-CB 4.16Å; D73-K75 PolarHBondContact O-N 3.27Å; D73-K75 VanDerWaalsContact O-N 3.1Å; D73-K75 WeakPolarHBondContact OD1-CA 3.41Å; D73-K75 WeakPolarHBondContact OD1-CB 3.38Å; D73-K75 PolarHBondContact OD1-N 2.67Å; D73-W76 WeakPolarHBondContact O-CA 3.34Å; D73-W76 PolarHBondContact O-N 3.19Å; D73-W76 PolarHBondContact OD1-N 2.86Å; D73-L77 PolarHBondContact N-O 2.73Å; D73-L77 WeakPolarHBondContact OD1-CB 3.31Å; D73-L77 PolarHBondContact OD1-N 2.87Å
74S94.8Very high96.4Very high69 Ų6961.4 Ų61.448%0.48332%0.319SS..THydrogen-bonded Turntrans-67.2-4.9-179.159.80000114.4S53 G54S53-S74 WeakPolarHBondContact CA-OG 3.38Å; G54-S74 PolarHBondContact N-OG 2.77Å; G54-S74 VanDerWaalsContact N-OG 3.12Å; G54-S74 PolarHBondContact O-N 2.67Å
75K92.7Very high96.6Very high118 Ų11859.1 Ų59.151%0.51330%0.302SS..THydrogen-bonded Turntrans-10213.1170-63.1-175.6170.1-165.30111.9D73 L77D73-K75 PolarHBondContact O-N 3.27Å; D73-K75 VanDerWaalsContact O-N 3.1Å; D73-K75 WeakPolarHBondContact OD1-CA 3.41Å; D73-K75 WeakPolarHBondContact OD1-CB 3.38Å; D73-K75 PolarHBondContact OD1-N 2.67Å; K75-L77 PolarHBondContact O-N 3.46Å; K75-L77 VanDerWaalsContact O-N 3.11Å
76W93.6Very high96.6Very high184 Ų18464.7 Ų64.770%0.69732%0.32SS*.  trans59.817.1-174.6-64.597.8000114.5V72 D73 M78 P102V72-W76 HydrophobicContact CG1-CE3 4.18Å; D73-W76 WeakPolarHBondContact O-CA 3.34Å; D73-W76 PolarHBondContact O-N 3.19Å; D73-W76 PolarHBondContact OD1-N 2.86Å; W76-M78 PolarHBondContact O-N 3.01Å; W76-P102 HydrophobicContact CB-CG 4.02Å; W76-P102 WeakPolarHBondContact O-CD 3.46Å; W76-P102 WeakPolarHBondContact O-CG 3.42Å
77L95.7Very high96.5Very high51 Ų5168.7 Ų68.727%0.26733%0.334SS..  trans-67.9111.8172.5-172.373000108.3D73 K75 T99 E101D73-L77 PolarHBondContact N-O 2.73Å; D73-L77 WeakPolarHBondContact OD1-CB 3.31Å; D73-L77 PolarHBondContact OD1-N 2.87Å; K75-L77 PolarHBondContact O-N 3.46Å; K75-L77 VanDerWaalsContact O-N 3.11Å; L77-T99 HydrophobicContact CD1-CG2 3.55Å; L77-T99 HydrophobicContact CD2-CG2 4.14Å; L77-T99 HydrophobicContact CG-CG2 3.81Å; L77-E101 HydrophobicContact CD1-CB 3.64Å; L77-E101 HydrophobicContact CD1-CG 4.12Å
78M97.5Very high96.2Very high86 Ų8671.8 Ų71.842%0.42435%0.353SS..EExtended strand (participates in β ladder)trans-95.8127.4179.8-170.4172.9-159.100109.4T70 K71 V72 W76 T99 M100T70-M78 HydrophobicContact CG2-CE 3.6Å; K71-M78 CarbonylContact O-C 3.59Å; K71-M78 WeakPolarHBondContact O-CA 3.34Å; V72-M78 HydrophobicContact CG2-CG 4.16Å; W76-M78 PolarHBondContact O-N 3.01Å; M78-T99 CarbonylContact O-C 3.47Å; M78-T99 VanDerWaalsContact O-CA 3.28Å; M78-T99 WeakPolarHBondContact O-CA 3.39Å; M78-M100 PolarHBondContact N-O 3.15Å; M78-M100 PolarHBondContact O-N 3.41Å
79T97.8Very high96Very high30 Ų3073.7 Ų73.718%0.18436%0.36CS..EExtended strand (participates in β ladder)trans-125.5120.1175.7-61.20000109.6T70 K71 L97 V98 T99T70-T79 CarbonylContact C-O 3.46Å; T70-T79 WeakPolarHBondContact CA-O 3.36Å; K71-T79 PolarHBondContact N-O 3.17Å; K71-T79 PolarHBondContact O-N 2.69Å; T79-L97 HydrophobicContact CG2-CD1 3.43Å; T79-L97 VanDerWaalsContact CG2-CD1 3.43Å; T79-L97 HydrophobicContact CG2-CD2 4.49Å; T79-L97 HydrophobicContact CG2-CG 4.05Å; T79-V98 CarbonylContact C-O 3.48Å; T79-V98 WeakPolarHBondContact CA-O 3.17Å; T79-T99 PolarHBondContact OG1-OG1 3.44Å
80S98.2Very high95.8Very high35 Ų3577.4 Ų77.425%0.24538%0.378CS..EExtended strand (participates in β ladder)trans-116.6129.6176.6-69.80000110.1K69 T70 L97 V98K69-S80 CarbonylContact O-C 3.55Å; K69-S80 WeakPolarHBondContact O-CA 3.24Å; T70-S80 PolarHBondContact OG1-OG 3.38Å; S80-L97 CarbonylContact O-C 3.56Å; S80-L97 WeakPolarHBondContact O-CA 3.36Å; S80-V98 PolarHBondContact N-O 2.83Å; S80-V98 PolarHBondContact O-N 2.78Å
81E98.2Very high95.7Very high39 Ų3977.3 Ų77.318%0.18238%0.377CS..EExtended strand (participates in β ladder)trans-123123.8-177.1-169174.1-175.400108.6L68 K69 N95 V96 L97L68-E81 CarbonylContact C-O 3.59Å; L68-E81 WeakPolarHBondContact CA-O 3.43Å; K69-E81 HydrophobicContact CB-CB 4.17Å; K69-E81 HydrophobicContact CD-CB 4.44Å; K69-E81 WeakPolarHBondContact CD-OE2 3.37Å; K69-E81 PolarHBondContact N-O 2.95Å; K69-E81 IonicContact NZ-OE2 2.71Å; K69-E81 PolarHBondContact NZ-OE2 2.89Å; K69-E81 PolarHBondContact O-N 3.17Å; E81-N95 WeakPolarHBondContact CG-ND2 3.32Å; E81-N95 PolarHBondContact OE1-ND2 3.44Å; E81-N95 PolarHBondContact OE1-OD1 3.26Å; E81-V96 CarbonylContact C-O 3.54Å; E81-V96 WeakPolarHBondContact CA-O 3.46Å; E81-L97 HydrophobicContact CB-CD1 3.48Å; E81-L97 VanDerWaalsContact CB-CD1 3.48Å; E81-L97 HydrophobicContact CG-CD1 3.73Å
82I98.3Very high95.6Very high76 Ų7675.9 Ų75.939%0.3937%0.372SS..EExtended strand (participates in β ladder)trans-112.7114.7171.3-58.7173.2000107.1V66 H67 L68 V84 N95 V96V66-I82 HydrophobicContact CG1-CG2 4.28Å; H67-I82 WeakPolarHBondContact O-CA 3.29Å; L68-I82 HydrophobicContact CD1-CG1 3.75Å; I82-V84 HydrophobicContact CG2-CG2 4.1Å; I82-N95 CarbonylContact O-C 3.55Å; I82-N95 WeakPolarHBondContact O-CA 3.42Å; I82-V96 PolarHBondContact N-O 2.81Å; I82-V96 PolarHBondContact O-N 3.37Å
83E97.5Very high95.6Very high53 Ų5374.6 Ų74.625%0.24837%0.365CS..EExtended strand (participates in β ladder)trans-104.7124.4173.4-171.6167.7-147.100109.1V66 H67 H94V66-E83 CarbonylContact C-O 3.48Å; V66-E83 WeakPolarHBondContact CA-O 3.3Å; H67-E83 HydrophobicContact CB-CB 4.3Å; H67-E83 PolarHBondContact N-O 3.18Å; H67-E83 PolarHBondContact O-N 3.02Å; E83-H94 CarbonylContact C-O 3.53Å; E83-H94 WeakPolarHBondContact CA-O 3.46Å
84V97.6Very high95.7Very high39 Ų3974.6 Ų74.624%0.23636%0.364CS..EExtended strand (participates in β ladder)trans-116.5104.9177.1-1770000107.7G65 V66 I82 K87 H94G65-V84 CarbonylContact O-C 3.54Å; G65-V84 WeakPolarHBondContact O-CA 3.48Å; V66-V84 HydrophobicContact CG1-CG2 4.38Å; V66-V84 HydrophobicContact CG2-CG1 4.41Å; V66-V84 HydrophobicContact CG2-CG2 4.42Å; I82-V84 HydrophobicContact CG2-CG2 4.1Å; V84-K87 HydrophobicContact CG1-CB 3.76Å; V84-K87 HydrophobicContact CG1-CG 3.52Å; V84-H94 HydrophobicContact CB-CB 4.43Å; V84-H94 PolarHBondContact N-O 2.8Å; V84-H94 PolarHBondContact O-N 2.86Å
85D95.3Very high95.8Very high42 Ų4271.5 Ų71.523%0.22534%0.342CS..EExtended strand (participates in β ladder)trans-107.7133.9-177.4-78.6-26.1000110.5G65 K87 S93G65-D85 PolarHBondContact O-N 2.76Å; D85-K87 PolarHBondContact O-N 2.79Å; D85-K87 VanDerWaalsContact O-N 3.13Å; D85-S93 WeakPolarHBondContact OD1-CB 3.21Å; D85-S93 PolarHBondContact OD1-OG 3.08Å
86K94Very high96.1Very high139 Ų13968.5 Ų68.560%0.60433%0.333SS*.SBendtrans60.825166.7-46.8-168178.2-172.90115.5H89 E90 L92K86-H89 VanDerWaalsContact CA-O 3.31Å; K86-H89 WeakPolarHBondContact CA-O 3.35Å; K86-E90 WeakPolarHBondContact CD-O 3.41Å; K86-E90 WeakPolarHBondContact CE-O 3.48Å; K86-E90 VanDerWaalsContact CG-O 3.28Å; K86-E90 WeakPolarHBondContact CG-O 3.45Å; K86-L92 PolarHBondContact N-O 2.8Å
87K92.5Very high96.3Very high114 Ų11461.3 Ų61.350%0.49631%0.308SS..SBendtrans-87-43.4178.8-75.6-58.8-165.5-175.80113.8P64 V84 D85P64-K87 WeakPolarHBondContact O-CE 3.12Å; P64-K87 PolarHBondContact O-NZ 2.75Å; V84-K87 HydrophobicContact CG1-CB 3.76Å; V84-K87 HydrophobicContact CG1-CG 3.52Å; D85-K87 PolarHBondContact O-N 2.79Å; D85-K87 VanDerWaalsContact O-N 3.13Å
88L91.1Very high96.4Very high138 Ų13861.6 Ų61.672%0.72331%0.312SS*.SBendtrans-88-40.3178-77.2151.3000110.9L92 H94L88-L92 HydrophobicContact CB-CD2 4.03Å; L88-L92 HydrophobicContact CD1-CD2 4.49Å; L88-H94 WeakPolarHBondContact CD1-NE2 3.28Å
89H93.6Very high96.4Very high96 Ų9658.7 Ų58.744%0.44430%0.299SS..  trans-155.8148.6177.8-170.6-91.5000110.2K86 D91 L92K86-H89 VanDerWaalsContact CA-O 3.31Å; K86-H89 WeakPolarHBondContact CA-O 3.35Å; H89-D91 IonicContact CE1-OD2 3Å; H89-D91 PolarHBondContact ND1-N 3.24Å; H89-D91 PolarHBondContact O-N 2.76Å; H89-D91 VanDerWaalsContact O-N 3.13Å; H89-L92 HydrophobicContact CB-CB 4.03Å; H89-L92 PolarHBondContact O-N 2.86Å
90E94Very high96.3Very high134 Ų13461.2 Ų61.263%0.62631%0.31SS*.THydrogen-bonded Turntrans-61.6-24.1-173.163.1175.7168.200115.4K86K86-E90 WeakPolarHBondContact CD-O 3.41Å; K86-E90 WeakPolarHBondContact CE-O 3.48Å; K86-E90 VanDerWaalsContact CG-O 3.28Å; K86-E90 WeakPolarHBondContact CG-O 3.45Å
91D95.1Very high96.1Very high25 Ų2563 Ų6313%0.13431%0.314CS..THydrogen-bonded Turntrans-97.7-2.4-179.7-71.9-19.8000113.6H89 L115 K116 H117H89-D91 IonicContact CE1-OD2 3Å; H89-D91 PolarHBondContact ND1-N 3.24Å; H89-D91 PolarHBondContact O-N 2.76Å; H89-D91 VanDerWaalsContact O-N 3.13Å; D91-L115 HydrophobicContact CB-CD1 3.88Å; D91-L115 WeakPolarHBondContact O-CA 3.4Å; D91-K116 VanDerWaalsContact CB-O 3.26Å; D91-K116 WeakPolarHBondContact CB-O 3.4Å; D91-K116 PolarHBondContact O-N 2.8Å; D91-H117 IonicContact OD2-CD2 3.29Å; D91-H117 PolarHBondContact OD2-CD2 2.76Å; D91-H117 VanDerWaalsContact OD2-CD2 3.29Å
92L96.7Very high95.8Very high39 Ų3964.9 Ų64.920%0.20433%0.33CS..EExtended strand (participates in β ladder)trans-103.8134.5-173.4-167.166.2000111.5K86 L88 H89 H94 K114 L115K86-L92 PolarHBondContact N-O 2.8Å; L88-L92 HydrophobicContact CB-CD2 4.03Å; L88-L92 HydrophobicContact CD1-CD2 4.49Å; H89-L92 HydrophobicContact CB-CB 4.03Å; H89-L92 PolarHBondContact O-N 2.86Å; L92-H94 WeakPolarHBondContact CD2-NE2 3.33Å; L92-H94 VanDerWaalsContact CG-NE2 3.33Å; L92-H94 WeakPolarHBondContact CG-NE2 3.18Å; L92-K114 WeakPolarHBondContact CA-O 3.43Å; L92-L115 HydrophobicContact CD1-CB 4.19Å; L92-L115 HydrophobicContact CD1-CD1 4.29Å
93S97.2Very high95.4Very high16 Ų1668 Ų6811%0.11235%0.347CS..EExtended strand (participates in β ladder)trans-133128.5177.81720000109D85 N113 K114D85-S93 WeakPolarHBondContact OD1-CB 3.21Å; D85-S93 PolarHBondContact OD1-OG 3.08Å; S93-N113 CarbonylContact O-C 3.55Å; S93-N113 WeakPolarHBondContact O-CA 3.4Å; S93-K114 PolarHBondContact N-O 2.78Å; S93-K114 PolarHBondContact O-N 2.75Å
94H98.2Very high95.1Very high43 Ų4369 Ų6920%0.19936%0.36CS..EExtended strand (participates in β ladder)trans-116.5139.5174.7-55.1-80.9000109.3E83 V84 L88 L92 K112 N113E83-H94 CarbonylContact C-O 3.53Å; E83-H94 WeakPolarHBondContact CA-O 3.46Å; V84-H94 HydrophobicContact CB-CB 4.43Å; V84-H94 PolarHBondContact N-O 2.8Å; V84-H94 PolarHBondContact O-N 2.86Å; L88-H94 WeakPolarHBondContact CD1-NE2 3.28Å; L92-H94 WeakPolarHBondContact CD2-NE2 3.33Å; L92-H94 VanDerWaalsContact CG-NE2 3.33Å; L92-H94 WeakPolarHBondContact CG-NE2 3.18Å; H94-K112 CarbonylContact C-O 3.54Å; H94-K112 WeakPolarHBondContact CA-O 3.12Å; H94-N113 PolarHBondContact ND1-OD1 3.36Å
95N97.5Very high94.8Very high4 Ų469.3 Ų69.32%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-138126.6178.2-177.6-80.9000109.2E81 I82 L111 K112E81-N95 WeakPolarHBondContact CG-ND2 3.32Å; E81-N95 PolarHBondContact OE1-ND2 3.44Å; E81-N95 PolarHBondContact OE1-OD1 3.26Å; I82-N95 CarbonylContact O-C 3.55Å; I82-N95 WeakPolarHBondContact O-CA 3.42Å; N95-L111 CarbonylContact O-C 3.51Å; N95-L111 WeakPolarHBondContact O-CA 3.2Å; N95-K112 HydrophobicContact CB-CB 4.16Å; N95-K112 PolarHBondContact N-O 2.79Å; N95-K112 PolarHBondContact O-N 2.79Å
96V98.5Very high94.7Very high56 Ų5669.7 Ų69.734%0.33938%0.38SS..EExtended strand (participates in β ladder)trans-115.1116177.8-179.40000107.3E81 I82 V98 L109 L111E81-V96 CarbonylContact C-O 3.54Å; E81-V96 WeakPolarHBondContact CA-O 3.46Å; I82-V96 PolarHBondContact N-O 2.81Å; I82-V96 PolarHBondContact O-N 3.37Å; V96-V98 HydrophobicContact CG1-CG2 4.41Å; V96-L109 HydrophobicContact CG1-CD1 3.79Å; V96-L111 HydrophobicContact CB-CD2 4.31Å; V96-L111 HydrophobicContact CG1-CD2 3.94Å; V96-L111 HydrophobicContact CG2-CD2 3.86Å
97L98.1Very high94.8Very high33 Ų3369.9 Ų69.917%0.17338%0.381CS..EExtended strand (participates in β ladder)trans-115.3121.8178-17680.2000109T79 S80 E81 L109 L110T79-L97 HydrophobicContact CG2-CD1 3.43Å; T79-L97 VanDerWaalsContact CG2-CD1 3.43Å; T79-L97 HydrophobicContact CG2-CD2 4.49Å; T79-L97 HydrophobicContact CG2-CG 4.05Å; S80-L97 CarbonylContact O-C 3.56Å; S80-L97 WeakPolarHBondContact O-CA 3.36Å; E81-L97 HydrophobicContact CB-CD1 3.48Å; E81-L97 VanDerWaalsContact CB-CD1 3.48Å; E81-L97 HydrophobicContact CG-CD1 3.73Å; L97-L109 CarbonylContact O-C 3.4Å; L97-L109 WeakPolarHBondContact O-CA 3.33Å; L97-L110 HydrophobicContact CB-CB 4.15Å; L97-L110 HydrophobicContact CD2-CB 4.42Å; L97-L110 HydrophobicContact CD2-CD2 4.01Å; L97-L110 PolarHBondContact N-O 2.84Å; L97-L110 PolarHBondContact O-N 2.85Å
98V97.9Very high95Very high56 Ų5666.2 Ų66.234%0.33937%0.37SS..EExtended strand (participates in β ladder)trans-113.8131.7174.9-178.90000108.4T79 S80 V96 M100 S108 L109T79-V98 CarbonylContact C-O 3.48Å; T79-V98 WeakPolarHBondContact CA-O 3.17Å; S80-V98 PolarHBondContact N-O 2.83Å; S80-V98 PolarHBondContact O-N 2.78Å; V96-V98 HydrophobicContact CG1-CG2 4.41Å; V98-M100 HydrophobicContact CG1-CG 4.19Å; V98-S108 WeakPolarHBondContact CA-O 3Å; V98-L109 HydrophobicContact CG2-CD1 3.75Å
99T97.5Very high95.3Very high25 Ų2562.4 Ų62.415%0.15335%0.35CS..EExtended strand (participates in β ladder)trans-122.3134.5172.6-61.80000109.6L77 M78 T79 K107 S108L77-T99 HydrophobicContact CD1-CG2 3.55Å; L77-T99 HydrophobicContact CD2-CG2 4.14Å; L77-T99 HydrophobicContact CG-CG2 3.81Å; M78-T99 CarbonylContact O-C 3.47Å; M78-T99 VanDerWaalsContact O-CA 3.28Å; M78-T99 WeakPolarHBondContact O-CA 3.39Å; T79-T99 PolarHBondContact OG1-OG1 3.44Å; T99-K107 CarbonylContact O-C 3.5Å; T99-K107 WeakPolarHBondContact O-CA 3.34Å; T99-S108 PolarHBondContact N-O 2.93Å; T99-S108 PolarHBondContact O-N 3.02Å
100M96.3Very high95.5Very high84 Ų8459.6 Ų59.641%0.41434%0.338SS..EExtended strand (participates in β ladder)trans-130.3127.7178.6-62.2179.862.800109.6M78 V98 K107M78-M100 PolarHBondContact N-O 3.15Å; M78-M100 PolarHBondContact O-N 3.41Å; V98-M100 HydrophobicContact CG1-CG 4.19Å; M100-K107 HydrophobicContact CE-CD 4.29Å; M100-K107 HydrophobicContact CG-CG 4.27Å
101E94.2Very high95.7Very high72 Ų7255.5 Ų55.534%0.33632%0.32SS..  trans-104.6109.7172.6-171.4173.6-152.100108.5L77 D103 S104 G105 A106L77-E101 HydrophobicContact CD1-CB 3.64Å; L77-E101 HydrophobicContact CD1-CG 4.12Å; E101-D103 PolarHBondContact O-N 3.17Å; E101-S104 WeakPolarHBondContact CB-OG 3.29Å; E101-S104 WeakPolarHBondContact CG-OG 3.42Å; E101-S104 PolarHBondContact OE2-OG 3.41Å; E101-G105 CarbonylContact O-C 3.55Å; E101-G105 VanDerWaalsContact O-CA 3.28Å; E101-G105 WeakPolarHBondContact O-CA 3.33Å; E101-G105 PolarHBondContact O-N 2.83Å; E101-A106 HydrophobicContact CB-CB 4.34Å; E101-A106 PolarHBondContact N-O 2.88Å; E101-A106 PolarHBondContact O-N 3.4Å
102P90.4Very high95.9Very high79 Ų7957 Ų5751%0.51333%0.325SS..THydrogen-bonded Turntrans-61.7-44-174.7-27.437.1000113.4W76 G105W76-P102 HydrophobicContact CB-CG 4.02Å; W76-P102 WeakPolarHBondContact O-CD 3.46Å; W76-P102 WeakPolarHBondContact O-CG 3.42Å; P102-G105 PolarHBondContact O-N 3.39Å
103D90Very high95.9Very high141 Ų14157.4 Ų57.475%0.75433%0.328SS*.THydrogen-bonded Turntrans-67.6-42.3-172.4-66.3-12.7000112.7E101E101-D103 PolarHBondContact O-N 3.17Å
104S91.8Very high96Very high74 Ų7459.8 Ų59.852%0.51734%0.336SS..THydrogen-bonded Turntrans-88-16.4178.969.90000112.8E101 A106E101-S104 WeakPolarHBondContact CB-OG 3.29Å; E101-S104 WeakPolarHBondContact CG-OG 3.42Å; E101-S104 PolarHBondContact OE2-OG 3.41Å; S104-A106 PolarHBondContact O-N 2.92Å; S104-A106 WeakPolarHBondContact OG-CB 3.39Å; S104-A106 PolarHBondContact OG-N 2.59Å; S104-A106 VanDerWaalsContact OG-N 3.07Å
105G91Very high95.9Very high46 Ų4660.6 Ų60.647%0.47434%0.341SS..  trans694.1-167.900000114E101 P102E101-G105 CarbonylContact O-C 3.55Å; E101-G105 VanDerWaalsContact O-CA 3.28Å; E101-G105 WeakPolarHBondContact O-CA 3.33Å; E101-G105 PolarHBondContact O-N 2.83Å; P102-G105 PolarHBondContact O-N 3.39Å
106A93.5Very high95.9Very high50 Ų5064.6 Ų64.641%0.41336%0.359SS..  trans-64.7136.5-178.900000110.8E101 S104E101-A106 HydrophobicContact CB-CB 4.34Å; E101-A106 PolarHBondContact N-O 2.88Å; E101-A106 PolarHBondContact O-N 3.4Å; S104-A106 PolarHBondContact O-N 2.92Å; S104-A106 WeakPolarHBondContact OG-CB 3.39Å; S104-A106 PolarHBondContact OG-N 2.59Å; S104-A106 VanDerWaalsContact OG-N 3.07Å
107K95.3Very high95.6Very high143 Ų14364.5 Ų64.562%0.62236%0.355SS*.EExtended strand (participates in β ladder)trans-129144.1178.2-55.6-178.6-169.3-178.90108.9T99 M100T99-K107 CarbonylContact O-C 3.5Å; T99-K107 WeakPolarHBondContact O-CA 3.34Å; M100-K107 HydrophobicContact CE-CD 4.29Å; M100-K107 HydrophobicContact CG-CG 4.27Å
108S96.6Very high95.4Very high36 Ų3668.1 Ų68.125%0.25237%0.371SS..EExtended strand (participates in β ladder)trans-138.9148.3169.261.30000111.2V98 T99 F128V98-S108 WeakPolarHBondContact CA-O 3Å; T99-S108 PolarHBondContact N-O 2.93Å; T99-S108 PolarHBondContact O-N 3.02Å; S108-F128 CarbonylContact C-O 3.58Å; S108-F128 WeakPolarHBondContact CA-O 3.22Å; S108-F128 WeakPolarHBondContact CB-O 3.39Å
109L98.1Very high95.1Very high58 Ų5872.4 Ų72.430%0.30438%0.382SS..EExtended strand (participates in β ladder)trans-124.2130.2176.5171.470.7000108V96 L97 V98 L111 F128V96-L109 HydrophobicContact CG1-CD1 3.79Å; L97-L109 CarbonylContact O-C 3.4Å; L97-L109 WeakPolarHBondContact O-CA 3.33Å; V98-L109 HydrophobicContact CG2-CD1 3.75Å; L109-L111 HydrophobicContact CD1-CD2 3.86Å; L109-L111 HydrophobicContact CD2-CD2 4.22Å; L109-L111 HydrophobicContact CD2-CG 4.31Å; L109-L111 HydrophobicContact CG-CD2 4.09Å; L109-L111 HydrophobicContact CG-CG 4.23Å; L109-F128 HydrophobicContact CB-CB 4.15Å; L109-F128 HydrophobicContact CD2-CD2 4.22Å; L109-F128 HydrophobicContact CG-CD2 4.37Å; L109-F128 PolarHBondContact N-O 2.96Å; L109-F128 WeakPolarHBondContact O-CA 3.46Å; L109-F128 WeakPolarHBondContact O-CB 3.4Å; L109-F128 PolarHBondContact O-N 3.02Å
110L98.3Very high95.1Very high37 Ų3774 Ų7419%0.19439%0.387CS..EExtended strand (participates in β ladder)trans-124.4114.4174171.561.6000108.6L97 K112 D125 M126L97-L110 HydrophobicContact CB-CB 4.15Å; L97-L110 HydrophobicContact CD2-CB 4.42Å; L97-L110 HydrophobicContact CD2-CD2 4.01Å; L97-L110 PolarHBondContact N-O 2.84Å; L97-L110 PolarHBondContact O-N 2.85Å; L110-K112 HydrophobicContact CD1-CG 4.27Å; L110-K112 HydrophobicContact CG-CG 4.12Å; L110-D125 HydrophobicContact CD1-CB 4.45Å; L110-M126 WeakPolarHBondContact CA-O 3.35Å
111L98.4Very high95.2Very high48 Ų4870.3 Ų70.325%0.25137%0.368SS..EExtended strand (participates in β ladder)trans-98.1131.2173.5-54.4177.4000108N95 V96 L109 D125 M126 F128N95-L111 CarbonylContact O-C 3.51Å; N95-L111 WeakPolarHBondContact O-CA 3.2Å; V96-L111 HydrophobicContact CB-CD2 4.31Å; V96-L111 HydrophobicContact CG1-CD2 3.94Å; V96-L111 HydrophobicContact CG2-CD2 3.86Å; L109-L111 HydrophobicContact CD1-CD2 3.86Å; L109-L111 HydrophobicContact CD2-CD2 4.22Å; L109-L111 HydrophobicContact CD2-CG 4.31Å; L109-L111 HydrophobicContact CG-CD2 4.09Å; L109-L111 HydrophobicContact CG-CG 4.23Å; L111-D125 CarbonylContact O-C 3.54Å; L111-D125 VanDerWaalsContact O-CA 3.25Å; L111-D125 WeakPolarHBondContact O-CA 3.38Å; L111-M126 HydrophobicContact CB-CB 4.35Å; L111-M126 PolarHBondContact N-O 2.82Å; L111-M126 PolarHBondContact O-N 2.83Å; L111-F128 HydrophobicContact CD1-CE2 4.16Å
112K98.2Very high95.4Very high56 Ų5668.2 Ų68.224%0.24336%0.364CS..EExtended strand (participates in β ladder)trans-126.9136.5173-51.1-178.9175.9163.20109.7H94 N95 L110 D125H94-K112 CarbonylContact C-O 3.54Å; H94-K112 WeakPolarHBondContact CA-O 3.12Å; N95-K112 HydrophobicContact CB-CB 4.16Å; N95-K112 PolarHBondContact N-O 2.79Å; N95-K112 PolarHBondContact O-N 2.79Å; L110-K112 HydrophobicContact CD1-CG 4.27Å; L110-K112 HydrophobicContact CG-CG 4.12Å; K112-D125 VanDerWaalsContact CB-OD1 3.29Å; K112-D125 WeakPolarHBondContact CB-OD1 3.36Å; K112-D125 HydrophobicContact CG-CB 4.32Å; K112-D125 WeakPolarHBondContact CG-OD1 3.29Å
113N98.2Very high95.8Very high48 Ų4865.7 Ų65.726%0.25735%0.346SS..EExtended strand (participates in β ladder)trans-127.8131.4176.2-57-85.8000107.3S93 H94 N123 L124S93-N113 CarbonylContact O-C 3.55Å; S93-N113 WeakPolarHBondContact O-CA 3.4Å; H94-N113 PolarHBondContact ND1-OD1 3.36Å; N113-N123 CarbonylContact O-C 3.55Å; N113-N123 VanDerWaalsContact O-CA 3.25Å; N113-N123 WeakPolarHBondContact O-CA 3.43Å; N113-L124 PolarHBondContact N-O 2.81Å; N113-L124 PolarHBondContact ND2-O 2.78Å; N113-L124 PolarHBondContact O-N 2.88Å
114K97.7Very high96.2Very high67 Ų6762.2 Ų62.229%0.29133%0.327SS..EExtended strand (participates in β ladder)trans-131.2127.4179.1-49.8174.5-167.4143.40108.6L92 S93 A122L92-K114 WeakPolarHBondContact CA-O 3.43Å; S93-K114 PolarHBondContact N-O 2.78Å; S93-K114 PolarHBondContact O-N 2.75Å; K114-A122 CarbonylContact C-O 3.55Å; K114-A122 WeakPolarHBondContact CA-O 3.44Å
115L97.3Very high96.5Very high59 Ų5960.5 Ų60.531%0.30931%0.312SS..EExtended strand (participates in β ladder)trans-116.9110.3172.5179.259.7000108.2D91 L92 F120 N121 A122D91-L115 HydrophobicContact CB-CD1 3.88Å; D91-L115 WeakPolarHBondContact O-CA 3.4Å; L92-L115 HydrophobicContact CD1-CB 4.19Å; L92-L115 HydrophobicContact CD1-CD1 4.29Å; L115-F120 HydrophobicContact CB-CE2 4.49Å; L115-F120 HydrophobicContact CD2-CE2 3.6Å; L115-F120 HydrophobicContact CD2-CZ 3.81Å; L115-F120 HydrophobicContact CG-CE2 3.74Å; L115-F120 HydrophobicContact CG-CZ 4.15Å; L115-N121 WeakPolarHBondContact O-CA 3.29Å; L115-A122 PolarHBondContact N-O 2.95Å; L115-A122 PolarHBondContact O-N 2.85Å
116K96.2Very high96.8Very high88 Ų8860.8 Ų60.838%0.38330%0.302SS..EExtended strand (participates in β ladder)trans-112.996.3-174.1-177.6178.2-177.8-161.60110.5M1 V2 D91 N121M1-K116 HydrophobicContact CB-CD 4.32Å; M1-K116 HydrophobicContact CB-CG 4.11Å; M1-K116 HydrophobicContact CG-CG 4.42Å; M1-K116 HydrophobicContact SD-CD 3.47Å; M1-K116 WeakPolarHBondContact SD-CD 3.33Å; M1-K116 WeakPolarHBondContact SD-CE 3.35Å; M1-K116 HydrophobicContact SD-CG 3.64Å; V2-K116 WeakPolarHBondContact O-CE 3.47Å; D91-K116 VanDerWaalsContact CB-O 3.26Å; D91-K116 WeakPolarHBondContact CB-O 3.4Å; D91-K116 PolarHBondContact O-N 2.8Å; K116-N121 WeakPolarHBondContact CG-ND2 3.47Å
117H93.9Very high97Very high55 Ų5559.8 Ų59.826%0.25529%0.291SS..  trans-98173.8178.5-158.9-101000111.8V2 D91 Y119 F120V2-H117 PolarHBondContact N-O 3.43Å; D91-H117 IonicContact OD2-CD2 3.29Å; D91-H117 PolarHBondContact OD2-CD2 2.76Å; D91-H117 VanDerWaalsContact OD2-CD2 3.29Å; H117-Y119 VanDerWaalsContact C-N 3.33Å; H117-Y119 AromaticContact CE1-CD2 3.72Å; H117-Y119 AromaticContact ND1-CD2 3.68Å; H117-Y119 PolarHBondContact ND1-N 3.37Å; H117-F120 CarbonylContact C-O 3.6Å; H117-F120 WeakPolarHBondContact CA-O 3.12Å; H117-F120 HydrophobicContact CB-CD1 3.72Å; H117-F120 HydrophobicContact CB-CD2 4.25Å; H117-F120 HydrophobicContact CB-CE1 3.52Å; H117-F120 HydrophobicContact CB-CE2 4.08Å; H117-F120 HydrophobicContact CB-CG 4.08Å; H117-F120 HydrophobicContact CB-CZ 3.7Å; H117-F120 AromaticContact CG-CE1 3.7Å; H117-F120 PolarHBondContact N-O 2.89Å; H117-F120 AromaticContact ND1-CE1 3.95Å
118E92.2Very high97.1Very high109 Ų10955.8 Ų55.851%0.50927%0.274SS..SBendtrans-70-28.217259.5170.8-179.800113.9V2V2-E118 VanDerWaalsContact CG2-O 3.23Å; V2-E118 WeakPolarHBondContact CG2-O 2.86Å
119Y93.4Very high96.9Very high145 Ų14562 Ų6257%0.56930%0.297SS*.SBendtrans-104.9-10.5-178.7-58.8-61.7000114.4H117 P142H117-Y119 VanDerWaalsContact C-N 3.33Å; H117-Y119 AromaticContact CE1-CD2 3.72Å; H117-Y119 AromaticContact ND1-CD2 3.68Å; H117-Y119 PolarHBondContact ND1-N 3.37Å; Y119-P142 WeakPolarHBondContact O-CD 3.26Å
120F96.8Very high96.5Very high59 Ų5962.5 Ų62.526%0.25931%0.305SS..  trans-157.8163.8177.464.8-90.3000111.6L115 H117 A122 L139 V140 L141L115-F120 HydrophobicContact CB-CE2 4.49Å; L115-F120 HydrophobicContact CD2-CE2 3.6Å; L115-F120 HydrophobicContact CD2-CZ 3.81Å; L115-F120 HydrophobicContact CG-CE2 3.74Å; L115-F120 HydrophobicContact CG-CZ 4.15Å; H117-F120 CarbonylContact C-O 3.6Å; H117-F120 WeakPolarHBondContact CA-O 3.12Å; H117-F120 HydrophobicContact CB-CD1 3.72Å; H117-F120 HydrophobicContact CB-CD2 4.25Å; H117-F120 HydrophobicContact CB-CE1 3.52Å; H117-F120 HydrophobicContact CB-CE2 4.08Å; H117-F120 HydrophobicContact CB-CG 4.08Å; H117-F120 HydrophobicContact CB-CZ 3.7Å; H117-F120 AromaticContact CG-CE1 3.7Å; H117-F120 PolarHBondContact N-O 2.89Å; H117-F120 AromaticContact ND1-CE1 3.95Å; F120-A122 HydrophobicContact CD2-CB 4.21Å; F120-A122 HydrophobicContact CE2-CB 4.42Å; F120-L139 HydrophobicContact CB-CD1 4.17Å; F120-L139 HydrophobicContact CD2-CD1 4.37Å; F120-V140 CarbonylContact C-O 3.53Å; F120-V140 WeakPolarHBondContact CA-O 3.48Å; F120-L141 HydrophobicContact CB-CD2 3.49Å; F120-L141 VanDerWaalsContact CB-CD2 3.49Å
121N98.1Very high96.2Very high6 Ų668.8 Ų68.83%0.03233%0.331CS..EExtended strand (participates in β ladder)trans-135.6117.5168.4-169.8-53.4000108.1V2 A3 S4 L115 K116 N123 L139 V140V2-N121 HydrophobicContact CB-CB 4.05Å; V2-N121 HydrophobicContact CG1-CB 4.06Å; V2-N121 PolarHBondContact O-ND2 2.8Å; A3-N121 WeakPolarHBondContact O-CB 3.47Å; S4-N121 PolarHBondContact N-ND2 3.2Å; L115-N121 WeakPolarHBondContact O-CA 3.29Å; K116-N121 WeakPolarHBondContact CG-ND2 3.47Å; N121-N123 PolarHBondContact OD1-OD1 2.87Å; N121-N123 VanDerWaalsContact OD1-OD1 3.08Å; N121-L139 CarbonylContact O-C 3.49Å; N121-L139 WeakPolarHBondContact O-CA 3.44Å; N121-V140 HydrophobicContact CB-CB 4.37Å; N121-V140 PolarHBondContact N-O 2.71Å; N121-V140 PolarHBondContact O-N 3.27Å
122A98.5Very high96Very high29 Ų2971.1 Ų71.124%0.2434%0.337CS..EExtended strand (participates in β ladder)trans-119.7132.2-177.300000110.2K114 L115 F120 S138 L139K114-A122 CarbonylContact C-O 3.55Å; K114-A122 WeakPolarHBondContact CA-O 3.44Å; L115-A122 PolarHBondContact N-O 2.95Å; L115-A122 PolarHBondContact O-N 2.85Å; F120-A122 HydrophobicContact CD2-CB 4.21Å; F120-A122 HydrophobicContact CE2-CB 4.42Å; A122-S138 CarbonylContact C-O 3.58Å; A122-S138 VanDerWaalsContact CA-O 3.31Å; A122-S138 WeakPolarHBondContact CA-O 3.28Å; A122-L139 HydrophobicContact CB-CD1 3.97Å
123N98.3Very high95.9Very high25 Ų2569.3 Ų69.313%0.13433%0.331CS..EExtended strand (participates in β ladder)trans-123.7143.8173.1-63.213.8000110.5N113 N121 G137 S138N113-N123 CarbonylContact O-C 3.55Å; N113-N123 VanDerWaalsContact O-CA 3.25Å; N113-N123 WeakPolarHBondContact O-CA 3.43Å; N121-N123 PolarHBondContact OD1-OD1 2.87Å; N121-N123 VanDerWaalsContact OD1-OD1 3.08Å; N123-G137 CarbonylContact O-C 3.56Å; N123-G137 WeakPolarHBondContact O-CA 3.15Å; N123-S138 PolarHBondContact N-O 2.89Å; N123-S138 PolarHBondContact O-N 2.83Å
124L98.4Very high95.8Very high69 Ų6970.5 Ų70.536%0.36134%0.337SS..EExtended strand (participates in β ladder)trans-134.5111.3171.1-17866.4000109.5N113 M126 I135 T136N113-L124 PolarHBondContact N-O 2.81Å; N113-L124 PolarHBondContact ND2-O 2.78Å; N113-L124 PolarHBondContact O-N 2.88Å; L124-M126 HydrophobicContact CD2-CE 3.65Å; L124-M126 HydrophobicContact CG-CE 4.13Å; L124-I135 HydrophobicContact CD1-CG2 3.71Å; L124-T136 WeakPolarHBondContact CA-O 3.4Å
125D97.9Very high95.8Very high38 Ų3869.8 Ų69.820%0.20334%0.336CS..EExtended strand (participates in β ladder)trans-110.4135.8178.6-64.71000109.5L110 L111 K112 I135 T136L110-D125 HydrophobicContact CD1-CB 4.45Å; L111-D125 CarbonylContact O-C 3.54Å; L111-D125 VanDerWaalsContact O-CA 3.25Å; L111-D125 WeakPolarHBondContact O-CA 3.38Å; K112-D125 VanDerWaalsContact CB-OD1 3.29Å; K112-D125 WeakPolarHBondContact CB-OD1 3.36Å; K112-D125 HydrophobicContact CG-CB 4.32Å; K112-D125 WeakPolarHBondContact CG-OD1 3.29Å; D125-I135 CarbonylContact O-C 3.55Å; D125-I135 WeakPolarHBondContact O-CA 3.4Å; D125-T136 PolarHBondContact N-O 3.31Å; D125-T136 PolarHBondContact O-N 2.96Å
126M98.2Very high95.9Very high52 Ų5268.5 Ų68.526%0.25633%0.331SS..EExtended strand (participates in β ladder)trans-124.8112.4175.9-56.2178.4-173.700109.3L110 L111 L124 F128L110-M126 WeakPolarHBondContact CA-O 3.35Å; L111-M126 HydrophobicContact CB-CB 4.35Å; L111-M126 PolarHBondContact N-O 2.82Å; L111-M126 PolarHBondContact O-N 2.83Å; L124-M126 HydrophobicContact CD2-CE 3.65Å; L124-M126 HydrophobicContact CG-CE 4.13Å; M126-F128 HydrophobicContact CB-CD2 4.42Å; M126-F128 HydrophobicContact CB-CE2 3.75Å; M126-F128 HydrophobicContact CB-CZ 4.49Å
127S97.4Very high96Very high28 Ų2865.6 Ų65.620%0.19633%0.326CS..EExtended strand (participates in β ladder)trans-103.8103-178.5171.60000111.2K129 P133 L134S127-K129 PolarHBondContact O-N 2.85Å; S127-P133 VanDerWaalsContact O-CA 3.29Å; S127-P133 WeakPolarHBondContact O-CA 3.26Å; S127-L134 PolarHBondContact N-O 3.21Å; S127-L134 PolarHBondContact O-N 3.43Å
128F96.9Very high96.2Very high60 Ų6063.7 Ų63.726%0.26332%0.318SS..EExtended strand (participates in β ladder)trans-90.194.6172-60.8-96000110.2S108 L109 L111 M126 P133S108-F128 CarbonylContact C-O 3.58Å; S108-F128 WeakPolarHBondContact CA-O 3.22Å; S108-F128 WeakPolarHBondContact CB-O 3.39Å; L109-F128 HydrophobicContact CB-CB 4.15Å; L109-F128 HydrophobicContact CD2-CD2 4.22Å; L109-F128 HydrophobicContact CG-CD2 4.37Å; L109-F128 PolarHBondContact N-O 2.96Å; L109-F128 WeakPolarHBondContact O-CA 3.46Å; L109-F128 WeakPolarHBondContact O-CB 3.4Å; L109-F128 PolarHBondContact O-N 3.02Å; L111-F128 HydrophobicContact CD1-CE2 4.16Å; M126-F128 HydrophobicContact CB-CD2 4.42Å; M126-F128 HydrophobicContact CB-CE2 3.75Å; M126-F128 HydrophobicContact CB-CZ 4.49Å; F128-P133 HydrophobicContact CD1-CB 3.79Å; F128-P133 HydrophobicContact CD1-CG 4.08Å; F128-P133 HydrophobicContact CD2-CB 4.13Å; F128-P133 HydrophobicContact CE1-CB 3.68Å; F128-P133 HydrophobicContact CE1-CG 3.53Å; F128-P133 HydrophobicContact CE2-CB 4.02Å; F128-P133 HydrophobicContact CE2-CG 4.42Å; F128-P133 HydrophobicContact CG-CB 4.02Å; F128-P133 HydrophobicContact CZ-CB 3.79Å; F128-P133 HydrophobicContact CZ-CG 3.72Å
129K92.4Very high96.5Very high166 Ų16661.9 Ų61.972%0.72231%0.312SS*.SBendtrans-98.4-12.9164.9-65.4-177.9-179.7-178.40112.4S127S127-K129 PolarHBondContact O-N 2.85Å
130S89.4Confident96.8Very high69 Ų6955 Ų5548%0.48329%0.285SS..SBendtrans-143.5-169.2175.670.90000108.1Y132S130-Y132 PolarHBondContact O-N 3.36Å; S130-Y132 PolarHBondContact OG-N 2.77Å; S130-Y132 PolarHBondContact OG-O 3.27Å
131K91.7Very high96.8Very high168 Ų16855.3 Ų55.373%0.7329%0.289SS*.SBendtrans-58-31.9176.1-174-177.8176.9-167.80113
132Y94.6Very high96.8Very high98 Ų9856.7 Ų56.738%0.38430%0.298SS..SBendtrans-109.5119.5-174.7-59-68.9000109.8S130 S159 E160S130-Y132 PolarHBondContact O-N 3.36Å; S130-Y132 PolarHBondContact OG-N 2.77Å; S130-Y132 PolarHBondContact OG-O 3.27Å; Y132-S159 WeakPolarHBondContact CB-OG 3.3Å; Y132-E160 HydrophobicContact CD2-CB 3.82Å; Y132-E160 HydrophobicContact CD2-CG 3.63Å; Y132-E160 HydrophobicContact CE2-CG 4.13Å; Y132-E160 HydrophobicContact CG-CB 3.87Å; Y132-E160 HydrophobicContact CG-CG 4.19Å
133P96.2Very high96.6Very high18 Ų1857.7 Ų57.712%0.11730%0.299CS..PPolyproline II helixtrans-74.9151.7-178.128.7-35.2000113.2S127 F128 I135 S159S127-P133 VanDerWaalsContact O-CA 3.29Å; S127-P133 WeakPolarHBondContact O-CA 3.26Å; F128-P133 HydrophobicContact CD1-CB 3.79Å; F128-P133 HydrophobicContact CD1-CG 4.08Å; F128-P133 HydrophobicContact CD2-CB 4.13Å; F128-P133 HydrophobicContact CE1-CB 3.68Å; F128-P133 HydrophobicContact CE1-CG 3.53Å; F128-P133 HydrophobicContact CE2-CB 4.02Å; F128-P133 HydrophobicContact CE2-CG 4.42Å; F128-P133 HydrophobicContact CG-CB 4.02Å; F128-P133 HydrophobicContact CZ-CB 3.79Å; F128-P133 HydrophobicContact CZ-CG 3.72Å; P133-I135 HydrophobicContact CB-CG1 4.38Å; P133-I135 HydrophobicContact CG-CD1 4.45Å; P133-I135 HydrophobicContact CG-CG1 4.16Å; P133-S159 WeakPolarHBondContact CD-OG 3.34Å; P133-S159 VanDerWaalsContact O-CB 3.29Å; P133-S159 WeakPolarHBondContact O-CB 3.3Å; P133-S159 PolarHBondContact O-N 2.77Å; P133-S159 PolarHBondContact O-OG 2.97Å
134L97.1Very high96.3Very high72 Ų7261.1 Ų61.138%0.37732%0.322SS..EExtended strand (participates in β ladder)trans-83.4121.4155.3-79.6161.7000108.5S127 V156 D158S127-L134 PolarHBondContact N-O 3.21Å; S127-L134 PolarHBondContact O-N 3.43Å; L134-V156 HydrophobicContact CD2-CG1 4.07Å; L134-D158 HydrophobicContact CD2-CB 4.01Å
135I98.1Very high96Very high52 Ų5266.5 Ų66.527%0.26735%0.345SS..EExtended strand (participates in β ladder)trans-103.8119.9-177.8-55.4173.2000108.4L124 D125 P133 V156 V157L124-I135 HydrophobicContact CD1-CG2 3.71Å; D125-I135 CarbonylContact O-C 3.55Å; D125-I135 WeakPolarHBondContact O-CA 3.4Å; P133-I135 HydrophobicContact CB-CG1 4.38Å; P133-I135 HydrophobicContact CG-CD1 4.45Å; P133-I135 HydrophobicContact CG-CG1 4.16Å; I135-V156 CarbonylContact O-C 3.55Å; I135-V156 WeakPolarHBondContact O-CA 3.39Å; I135-V157 HydrophobicContact CB-CB 4.43Å; I135-V157 PolarHBondContact N-O 2.9Å; I135-V157 PolarHBondContact O-N 2.92Å
136T98.1Very high95.8Very high33 Ų3371.5 Ų71.520%0.20236%0.362CS..EExtended strand (participates in β ladder)trans-111.6113.4176.2-57.20000110L124 D125 Q154 A155 V156L124-T136 WeakPolarHBondContact CA-O 3.4Å; D125-T136 PolarHBondContact N-O 3.31Å; D125-T136 PolarHBondContact O-N 2.96Å; T136-Q154 HydrophobicContact CG2-CG 3.92Å; T136-A155 CarbonylContact C-O 3.54Å; T136-A155 WeakPolarHBondContact CA-O 3.43Å; T136-V156 HydrophobicContact CG2-CG2 4.09Å
137G98.4Very high95.6Very high27 Ų2774.1 Ų74.128%0.27838%0.383SS..EExtended strand (participates in β ladder)trans-103.5141.4172.300000110.7N123 Q154 A155N123-G137 CarbonylContact O-C 3.56Å; N123-G137 WeakPolarHBondContact O-CA 3.15Å; G137-Q154 CarbonylContact O-C 3.59Å; G137-Q154 VanDerWaalsContact O-CA 3.27Å; G137-Q154 WeakPolarHBondContact O-CA 3.31Å; G137-A155 PolarHBondContact N-O 3.03Å; G137-A155 PolarHBondContact O-N 3.09Å
138S98.5Very high95.5Very high14 Ų1473.8 Ų73.810%0.09838%0.382CS..EExtended strand (participates in β ladder)trans-145.7148.9169.463.70000112.5A122 N123 A153A122-S138 CarbonylContact C-O 3.58Å; A122-S138 VanDerWaalsContact CA-O 3.31Å; A122-S138 WeakPolarHBondContact CA-O 3.28Å; N123-S138 PolarHBondContact N-O 2.89Å; N123-S138 PolarHBondContact O-N 2.83Å; S138-A153 CarbonylContact C-O 3.54Å; S138-A153 WeakPolarHBondContact CA-O 3.31Å; S138-A153 WeakPolarHBondContact CB-O 3.44Å
139L98.7Very high95.5Very high72 Ų7274.3 Ų74.338%0.37738%0.384SS..EExtended strand (participates in β ladder)trans-137.2138.2179.3-178.465.3000109.4F120 N121 A122 L141 G152 A153F120-L139 HydrophobicContact CB-CD1 4.17Å; F120-L139 HydrophobicContact CD2-CD1 4.37Å; N121-L139 CarbonylContact O-C 3.49Å; N121-L139 WeakPolarHBondContact O-CA 3.44Å; A122-L139 HydrophobicContact CB-CD1 3.97Å; L139-L141 HydrophobicContact CD1-CD2 4.22Å; L139-L141 HydrophobicContact CD2-CD1 4.19Å; L139-L141 HydrophobicContact CD2-CD2 4.36Å; L139-L141 HydrophobicContact CD2-CG 4.27Å; L139-L141 HydrophobicContact CG-CD2 4.26Å; L139-L141 HydrophobicContact CG-CG 4.19Å; L139-G152 CarbonylContact O-C 3.56Å; L139-G152 WeakPolarHBondContact O-CA 3.42Å; L139-A153 PolarHBondContact N-O 2.74Å; L139-A153 PolarHBondContact O-N 3.38Å
140V98.6Very high95.7Very high1 Ų169.4 Ų69.41%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-128.1133.6172-177.10000109.5V2 F5 L8 F120 N121 R150 I151V2-V140 HydrophobicContact CG1-CB 3.95Å; V2-V140 HydrophobicContact CG1-CG1 3.54Å; F5-V140 VanDerWaalsContact CA-CG2 3.49Å; F5-V140 HydrophobicContact CB-CG2 3.83Å; F5-V140 HydrophobicContact CD2-CG2 4.21Å; L8-V140 HydrophobicContact CD1-CG1 4.31Å; L8-V140 HydrophobicContact CD1-CG2 4.04Å; L8-V140 HydrophobicContact CD2-CG1 4.29Å; F120-V140 CarbonylContact C-O 3.53Å; F120-V140 WeakPolarHBondContact CA-O 3.48Å; N121-V140 HydrophobicContact CB-CB 4.37Å; N121-V140 PolarHBondContact N-O 2.71Å; N121-V140 PolarHBondContact O-N 3.27Å; V140-R150 HydrophobicContact CG1-CB 4.04Å; V140-I151 CarbonylContact C-O 3.52Å; V140-I151 VanDerWaalsContact CA-O 3.32Å; V140-I151 WeakPolarHBondContact CA-O 2.86Å; V140-I151 WeakPolarHBondContact CG1-O 3.23Å
141L97.9Very high96.1Very high65 Ų6569.6 Ų69.634%0.3436%0.356SS..EExtended strand (participates in β ladder)trans-127.2141.7-179.6-58.2172.5000110.4F120 L139 R150 I151F120-L141 HydrophobicContact CB-CD2 3.49Å; F120-L141 VanDerWaalsContact CB-CD2 3.49Å; L139-L141 HydrophobicContact CD1-CD2 4.22Å; L139-L141 HydrophobicContact CD2-CD1 4.19Å; L139-L141 HydrophobicContact CD2-CD2 4.36Å; L139-L141 HydrophobicContact CD2-CG 4.27Å; L139-L141 HydrophobicContact CG-CD2 4.26Å; L139-L141 HydrophobicContact CG-CG 4.19Å; L141-R150 CarbonylContact O-C 3.52Å; L141-R150 VanDerWaalsContact O-CA 3.31Å; L141-R150 WeakPolarHBondContact O-CA 3.48Å; L141-I151 HydrophobicContact CB-CG1 4.09Å; L141-I151 PolarHBondContact N-O 2.78Å; L141-I151 PolarHBondContact O-N 3.09Å
142P96.9Very high96.5Very high34 Ų3462 Ų6222%0.22133%0.326CS..EExtended strand (participates in β ladder)trans-71.1143.216131.9-27.7000110.8V2 Y119 P144V2-P142 HydrophobicContact CG2-CG 4.32Å; Y119-P142 WeakPolarHBondContact O-CD 3.26Å; P142-P144 WeakPolarHBondContact O-CD 3.42Å
143I95.5Very high96.6Very high51 Ų5159.4 Ų59.426%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-80.6123.6171.6-52.2-175.4000107.7Y146 F149 I151I143-Y146 HydrophobicContact CG2-CD2 3.8Å; I143-Y146 HydrophobicContact CG2-CG 4.48Å; I143-Y146 CarbonylContact O-C 3.6Å; I143-Y146 PolarHBondContact O-N 3.08Å; I143-F149 HydrophobicContact CB-CB 4.27Å; I143-F149 HydrophobicContact CD1-CB 3.61Å; I143-F149 HydrophobicContact CD1-CG 4.32Å; I143-F149 HydrophobicContact CG1-CB 3.94Å; I143-F149 PolarHBondContact N-O 3.08Å; I143-I151 HydrophobicContact CD1-CG2 3.72Å; I143-I151 HydrophobicContact CG1-CG2 3.88Å
144P92Very high96.7Very high96 Ų9660.8 Ų60.862%0.62333%0.329SS*.THydrogen-bonded Turntrans-52.2142.3173.7-26.135.2000111.5P142 Y146P142-P144 WeakPolarHBondContact O-CD 3.42Å; P144-Y146 WeakPolarHBondContact O-CD2 3.31Å; P144-Y146 PolarHBondContact O-N 2.93Å
145H91.4Very high96.8Very high182 Ų18259 Ų5984%0.84333%0.325SS*.THydrogen-bonded Turntrans63.9-6.5-177.1-49.7-73.1000117P147H145-P147 WeakPolarHBondContact O-CD 3.46Å
146Y94.5Very high96.8Very high143 Ų14357.6 Ų57.656%0.56132%0.319SS*.EExtended strand (participates in β ladder)trans-120.875.8177.8-64.8-79.6000110.6I143 P144 A148 F149I143-Y146 HydrophobicContact CG2-CD2 3.8Å; I143-Y146 HydrophobicContact CG2-CG 4.48Å; I143-Y146 CarbonylContact O-C 3.6Å; I143-Y146 PolarHBondContact O-N 3.08Å; P144-Y146 WeakPolarHBondContact O-CD2 3.31Å; P144-Y146 PolarHBondContact O-N 2.93Å; Y146-A148 PolarHBondContact O-N 3.37Å; Y146-F149 PolarHBondContact O-N 3.42Å
147P92.6Very high96.7Very high108 Ų10858.3 Ų58.370%0.70132%0.323SS*.EExtended strand (participates in β ladder)trans-62.5-20.8-168.124.6-35.2000114.3H145 R150H145-P147 WeakPolarHBondContact O-CD 3.46Å; P147-R150 PolarHBondContact O-NH1 2.91Å; P147-R150 PolarHBondContact O-NH2 3.44Å
148A95.6Very high96.6Very high20 Ų2058.4 Ų58.417%0.16532%0.318CS..EExtended strand (participates in β ladder)trans-81.1-15.9176.400000113.9Y146 F173 K174 Q175Y146-A148 PolarHBondContact O-N 3.37Å; A148-F173 HydrophobicContact CB-CD2 3.71Å; A148-F173 HydrophobicContact CB-CE2 3.48Å; A148-F173 VanDerWaalsContact CB-CE2 3.48Å; A148-F173 HydrophobicContact CB-CZ 4.38Å; A148-F173 CarbonylContact O-C 3.43Å; A148-F173 WeakPolarHBondContact O-CA 3.48Å; A148-K174 WeakPolarHBondContact CB-O 3.45Å; A148-K174 PolarHBondContact O-N 2.67Å; A148-Q175 HydrophobicContact CB-CB 4.34Å
149F97.1Very high96.5Very high72 Ų7259.2 Ų59.232%0.31632%0.323SS..EExtended strand (participates in β ladder)trans-101.6138.6-173.6-75.1-93.4000112.9I143 Y146 I171 N172 F173I143-F149 HydrophobicContact CB-CB 4.27Å; I143-F149 HydrophobicContact CD1-CB 3.61Å; I143-F149 HydrophobicContact CD1-CG 4.32Å; I143-F149 HydrophobicContact CG1-CB 3.94Å; I143-F149 PolarHBondContact N-O 3.08Å; Y146-F149 PolarHBondContact O-N 3.42Å; F149-I171 HydrophobicContact CD1-CG2 4.28Å; F149-N172 CarbonylContact C-O 3.51Å; F149-N172 WeakPolarHBondContact CA-O 3.34Å; F149-F173 HydrophobicContact CD1-CB 4.09Å; F149-F173 HydrophobicContact CD1-CD2 4.3Å; F149-F173 AromaticContact CD2-CD2 3.83Å; F149-F173 HydrophobicContact CD2-CD2 3.83Å; F149-F173 HydrophobicContact CD2-CE2 4.45Å; F149-F173 HydrophobicContact CE1-CB 3.84Å; F149-F173 AromaticContact CE1-CD2 3.94Å; F149-F173 HydrophobicContact CE1-CD2 3.94Å; F149-F173 HydrophobicContact CE1-CG 4.3Å; F149-F173 AromaticContact CE2-CD2 3.45Å; F149-F173 HydrophobicContact CE2-CD2 3.45Å; F149-F173 VanDerWaalsContact CE2-CD2 3.45Å; F149-F173 AromaticContact CE2-CE2 3.9Å; F149-F173 HydrophobicContact CE2-CE2 3.9Å; F149-F173 HydrophobicContact CG-CD2 4.27Å; F149-F173 HydrophobicContact CZ-CB 4.25Å; F149-F173 AromaticContact CZ-CD2 3.5Å; F149-F173 HydrophobicContact CZ-CD2 3.5Å; F149-F173 HydrophobicContact CZ-CE2 4.21Å; F149-F173 HydrophobicContact CZ-CG 4.2Å
150R97.4Very high96.3Very high63 Ų6361.6 Ų61.624%0.23833%0.332CS..EExtended strand (participates in β ladder)trans-126.5141169.5-58.5-62.1175-87.30.3108.6L8 V140 L141 P147 N172L8-R150 HydrophobicContact CD2-CB 4.46Å; V140-R150 HydrophobicContact CG1-CB 4.04Å; L141-R150 CarbonylContact O-C 3.52Å; L141-R150 VanDerWaalsContact O-CA 3.31Å; L141-R150 WeakPolarHBondContact O-CA 3.48Å; P147-R150 PolarHBondContact O-NH1 2.91Å; P147-R150 PolarHBondContact O-NH2 3.44Å; R150-N172 HydrophobicContact CB-CB 4.43Å; R150-N172 PolarHBondContact N-O 2.8Å; R150-N172 PolarHBondContact O-N 2.86Å
151I98.1Very high96.2Very high72 Ų7267.9 Ų67.937%0.36936%0.359SS..EExtended strand (participates in β ladder)trans-112.5149.1167.260.2175.2000108.5V140 L141 I143 A170 I171V140-I151 CarbonylContact C-O 3.52Å; V140-I151 VanDerWaalsContact CA-O 3.32Å; V140-I151 WeakPolarHBondContact CA-O 2.86Å; V140-I151 WeakPolarHBondContact CG1-O 3.23Å; L141-I151 HydrophobicContact CB-CG1 4.09Å; L141-I151 PolarHBondContact N-O 2.78Å; L141-I151 PolarHBondContact O-N 3.09Å; I143-I151 HydrophobicContact CD1-CG2 3.72Å; I143-I151 HydrophobicContact CG1-CG2 3.88Å; I151-A170 CarbonylContact C-O 3.48Å; I151-A170 WeakPolarHBondContact CA-O 3Å; I151-I171 HydrophobicContact CG2-CG1 4.35Å
152G98.4Very high95.9Very high10 Ų1069.7 Ų69.710%0.10338%0.378CS..EExtended strand (participates in β ladder)trans-149.6157.4175.100000112.4L139 Y169 A170L139-G152 CarbonylContact O-C 3.56Å; L139-G152 WeakPolarHBondContact O-CA 3.42Å; G152-Y169 CarbonylContact O-C 3.6Å; G152-A170 PolarHBondContact N-O 3.31Å; G152-A170 PolarHBondContact O-N 3.23Å
153A98.4Very high95.8Very high43 Ų4373.9 Ų73.936%0.35539%0.394SS..EExtended strand (participates in β ladder)trans-133.8146.8172.200000109.4S138 L139 I168 Y169S138-A153 CarbonylContact C-O 3.54Å; S138-A153 WeakPolarHBondContact CA-O 3.31Å; S138-A153 WeakPolarHBondContact CB-O 3.44Å; L139-A153 PolarHBondContact N-O 2.74Å; L139-A153 PolarHBondContact O-N 3.38Å; A153-I168 CarbonylContact C-O 3.57Å; A153-I168 VanDerWaalsContact CA-O 3.29Å; A153-I168 WeakPolarHBondContact CA-O 2.86Å; A153-Y169 HydrophobicContact CB-CD1 4.33Å
154Q98.5Very high95.8Very high46 Ų4676.6 Ų76.622%0.21541%0.408CS..EExtended strand (participates in β ladder)trans-133.7138.8170.3175.9175.390.600108.9F5 T136 G137 H167 I168F5-Q154 HydrophobicContact CD1-CB 3.78Å; F5-Q154 HydrophobicContact CD1-CG 4.41Å; F5-Q154 HydrophobicContact CD2-CB 4.23Å; F5-Q154 HydrophobicContact CE1-CB 3.5Å; F5-Q154 HydrophobicContact CE1-CG 4.3Å; F5-Q154 HydrophobicContact CE2-CB 3.99Å; F5-Q154 HydrophobicContact CG-CB 4.14Å; F5-Q154 HydrophobicContact CZ-CB 3.62Å; T136-Q154 HydrophobicContact CG2-CG 3.92Å; G137-Q154 CarbonylContact O-C 3.59Å; G137-Q154 VanDerWaalsContact O-CA 3.27Å; G137-Q154 WeakPolarHBondContact O-CA 3.31Å; Q154-H167 CarbonylContact O-C 3.5Å; Q154-H167 VanDerWaalsContact O-CA 3.28Å; Q154-H167 WeakPolarHBondContact O-CA 3.35Å; Q154-I168 HydrophobicContact CB-CB 4.43Å; Q154-I168 PolarHBondContact N-O 3.28Å; Q154-I168 PolarHBondContact O-N 2.86Å
155A98.1Very high95.8Very high35 Ų3575.5 Ų75.529%0.28940%0.403SS..EExtended strand (participates in β ladder)trans-130.8144.1172.600000110T136 G137 K166T136-A155 CarbonylContact C-O 3.54Å; T136-A155 WeakPolarHBondContact CA-O 3.43Å; G137-A155 PolarHBondContact N-O 3.03Å; G137-A155 PolarHBondContact O-N 3.09Å; A155-K166 CarbonylContact C-O 3.53Å; A155-K166 WeakPolarHBondContact CA-O 3.35Å
156V97.5Very high96Very high22 Ų2271.4 Ų71.413%0.13338%0.382CS..EExtended strand (participates in β ladder)trans-118.5120173.3-172.70000107.9L134 I135 T136 I164 S165 K166L134-V156 HydrophobicContact CD2-CG1 4.07Å; I135-V156 CarbonylContact O-C 3.55Å; I135-V156 WeakPolarHBondContact O-CA 3.39Å; T136-V156 HydrophobicContact CG2-CG2 4.09Å; V156-I164 CarbonylContact O-C 3.55Å; V156-S165 WeakPolarHBondContact CG1-OG 3.32Å; V156-S165 PolarHBondContact O-N 3.44Å; V156-S165 PolarHBondContact O-OG 3.45Å; V156-S165 VanDerWaalsContact O-OG 3.08Å; V156-K166 HydrophobicContact CB-CB 4.06Å; V156-K166 HydrophobicContact CG2-CB 4.06Å; V156-K166 PolarHBondContact N-O 2.79Å; V156-K166 PolarHBondContact O-N 2.81Å
157V97.5Very high96.1Very high49 Ų4966.4 Ų66.430%0.29736%0.364SS..EExtended strand (participates in β ladder)trans-105125.3177.5-179.40000108.8I135 E163 I164I135-V157 HydrophobicContact CB-CB 4.43Å; I135-V157 PolarHBondContact N-O 2.9Å; I135-V157 PolarHBondContact O-N 2.92Å; V157-E163 WeakPolarHBondContact CA-O 3.28Å; V157-I164 HydrophobicContact CG2-CG1 4.33Å
158D96.4Very high96.4Very high29 Ų2962 Ų6216%0.15533%0.334CS..EExtended strand (participates in β ladder)trans-85.7103.8167-174-20.3000108L134 E160 K161 S162 E163L134-D158 HydrophobicContact CD2-CB 4.01Å; D158-E160 VanDerWaalsContact C-N 3.26Å; D158-E160 PolarHBondContact O-N 3.19Å; D158-E160 WeakPolarHBondContact OD1-CB 3.34Å; D158-E160 PolarHBondContact OD1-N 2.8Å; D158-E160 VanDerWaalsContact OD1-N 3.09Å; D158-K161 PolarHBondContact O-N 2.83Å; D158-S162 WeakPolarHBondContact O-CA 3.18Å; D158-S162 PolarHBondContact O-N 2.87Å; D158-E163 PolarHBondContact N-O 2.9Å; D158-E163 PolarHBondContact O-N 2.88Å; D158-E163 VanDerWaalsContact O-N 3.17Å
159S95.6Very high96.5Very high30 Ų3065.8 Ų65.821%0.2135%0.345CS..THydrogen-bonded Turntrans-71.3-18.1-175.966.20000113.9Y132 P133Y132-S159 WeakPolarHBondContact CB-OG 3.3Å; P133-S159 WeakPolarHBondContact CD-OG 3.34Å; P133-S159 VanDerWaalsContact O-CB 3.29Å; P133-S159 WeakPolarHBondContact O-CB 3.3Å; P133-S159 PolarHBondContact O-N 2.77Å; P133-S159 PolarHBondContact O-OG 2.97Å
160E95.3Very high96.5Very high122 Ų12262.5 Ų62.557%0.5733%0.331SS*.THydrogen-bonded Turntrans-71-44.9174.8-175.9166.5-157.900110.3Y132 D158Y132-E160 HydrophobicContact CD2-CB 3.82Å; Y132-E160 HydrophobicContact CD2-CG 3.63Å; Y132-E160 HydrophobicContact CE2-CG 4.13Å; Y132-E160 HydrophobicContact CG-CB 3.87Å; Y132-E160 HydrophobicContact CG-CG 4.19Å; D158-E160 VanDerWaalsContact C-N 3.26Å; D158-E160 PolarHBondContact O-N 3.19Å; D158-E160 WeakPolarHBondContact OD1-CB 3.34Å; D158-E160 PolarHBondContact OD1-N 2.8Å; D158-E160 VanDerWaalsContact OD1-N 3.09Å
161K95Very high96.6Very high134 Ų13464 Ų6458%0.58334%0.343SS*.THydrogen-bonded Turntrans-86-14.7178.5-60.9178.7-175.2173.80113.1D158 E163D158-K161 PolarHBondContact O-N 2.83Å; K161-E163 HydrophobicContact CB-CB 4.19Å; K161-E163 HydrophobicContact CB-CG 4.18Å; K161-E163 PolarHBondContact O-N 3.29Å
162S92.9Very high96.6Very high103 Ų10360.8 Ų60.872%0.7233%0.327SS*.THydrogen-bonded Turntrans56.537.3-169.6-60.30000113.1D158D158-S162 WeakPolarHBondContact O-CA 3.18Å; D158-S162 PolarHBondContact O-N 2.87Å
163E94.9Very high96.6Very high121 Ų12162.5 Ų62.557%0.56533%0.331SS*.EExtended strand (participates in β ladder)trans-122.8150.3-175.3-73.2177.7172.900112.3V157 D158 K161 S165V157-E163 WeakPolarHBondContact CA-O 3.28Å; D158-E163 PolarHBondContact N-O 2.9Å; D158-E163 PolarHBondContact O-N 2.88Å; D158-E163 VanDerWaalsContact O-N 3.17Å; K161-E163 HydrophobicContact CB-CB 4.19Å; K161-E163 HydrophobicContact CB-CG 4.18Å; K161-E163 PolarHBondContact O-N 3.29Å; E163-S165 PolarHBondContact O-N 2.76Å
164I94.2Very high96.5Very high108 Ų10866.1 Ų66.155%0.55434%0.339SS*.EExtended strand (participates in β ladder)trans-79103.6169.4-59174.8000108V156 V157 H167V156-I164 CarbonylContact O-C 3.55Å; V157-I164 HydrophobicContact CG2-CG1 4.33Å; I164-H167 HydrophobicContact CG2-CB 4.37Å
165S93.4Very high96.3Very high73 Ų7369.6 Ų69.651%0.5136%0.355SS..EExtended strand (participates in β ladder)trans-75.8-26.5179.5600000113.2V156 E163V156-S165 WeakPolarHBondContact CG1-OG 3.32Å; V156-S165 PolarHBondContact O-N 3.44Å; V156-S165 PolarHBondContact O-OG 3.45Å; V156-S165 VanDerWaalsContact O-OG 3.08Å; E163-S165 PolarHBondContact O-N 2.76Å
166K95.1Very high96.1Very high97 Ų9773.6 Ų73.642%0.42238%0.381SS..EExtended strand (participates in β ladder)trans-154.6140.7179.2-166177.1-172.2-178.70111.2A155 V156 I168 T185A155-K166 CarbonylContact C-O 3.53Å; A155-K166 WeakPolarHBondContact CA-O 3.35Å; V156-K166 HydrophobicContact CB-CB 4.06Å; V156-K166 HydrophobicContact CG2-CB 4.06Å; V156-K166 PolarHBondContact N-O 2.79Å; V156-K166 PolarHBondContact O-N 2.81Å; K166-I168 HydrophobicContact CD-CD1 4.19Å; K166-I168 HydrophobicContact CD-CG1 4.34Å; K166-I168 HydrophobicContact CG-CG1 4.22Å; K166-T185 HydrophobicContact CG-CG2 4.25Å
167H96.1Very high96Very high38 Ų3875.6 Ų75.618%0.17639%0.391CS..EExtended strand (participates in β ladder)trans-135.5142.3166.950.4-93.7000109.6Q154 I164 Y169 T185 G186 H187Q154-H167 CarbonylContact O-C 3.5Å; Q154-H167 VanDerWaalsContact O-CA 3.28Å; Q154-H167 WeakPolarHBondContact O-CA 3.35Å; I164-H167 HydrophobicContact CG2-CB 4.37Å; H167-Y169 AromaticContact CD2-CE2 3.84Å; H167-T185 WeakPolarHBondContact O-CA 3.29Å; H167-G186 VanDerWaalsContact NE2-C 3.27Å; H167-G186 WeakPolarHBondContact NE2-CA 3.34Å; H167-G186 PolarHBondContact O-N 2.91Å; H167-H187 AromaticContact CD2-CD2 3.86Å; H167-H187 AromaticContact CD2-CE1 3.93Å; H167-H187 AromaticContact CD2-NE2 3.7Å; H167-H187 AromaticContact CE1-CD2 3.44Å; H167-H187 PolarHBondContact CE1-CD2 3.14Å; H167-H187 VanDerWaalsContact CE1-CD2 3.44Å; H167-H187 AromaticContact CE1-NE2 3.5Å; H167-H187 AromaticContact NE2-CD2 2.95Å; H167-H187 PolarHBondContact NE2-CD2 2.86Å; H167-H187 AromaticContact NE2-CE1 3.77Å; H167-H187 AromaticContact NE2-CG 3.48Å; H167-H187 PolarHBondContact NE2-N 2.79Å; H167-H187 AromaticContact NE2-ND1 3.95Å; H167-H187 AromaticContact NE2-NE2 3.17Å; H167-H187 PolarHBondContact NE2-NE2 2.88Å; H167-H187 VanDerWaalsContact NE2-NE2 3.17Å
168I98.1Very high96Very high15 Ų1575 Ų758%0.07739%0.388CS..EExtended strand (participates in β ladder)trans-136.6126.1-177.4-46.8176.1000108.2F5 A153 Q154 K166 T183 L184 T185F5-I168 HydrophobicContact CE1-CB 4.43Å; F5-I168 HydrophobicContact CE1-CD1 4.49Å; F5-I168 HydrophobicContact CE1-CG2 4.4Å; F5-I168 HydrophobicContact CZ-CB 3.91Å; F5-I168 HydrophobicContact CZ-CG2 3.79Å; A153-I168 CarbonylContact C-O 3.57Å; A153-I168 VanDerWaalsContact CA-O 3.29Å; A153-I168 WeakPolarHBondContact CA-O 2.86Å; Q154-I168 HydrophobicContact CB-CB 4.43Å; Q154-I168 PolarHBondContact N-O 3.28Å; Q154-I168 PolarHBondContact O-N 2.86Å; K166-I168 HydrophobicContact CD-CD1 4.19Å; K166-I168 HydrophobicContact CD-CG1 4.34Å; K166-I168 HydrophobicContact CG-CG1 4.22Å; I168-T183 HydrophobicContact CG2-CG2 4.3Å; I168-L184 CarbonylContact C-O 3.57Å; I168-L184 WeakPolarHBondContact CA-O 3.25Å; I168-T185 HydrophobicContact CG1-CG2 4.16Å
169Y98.3Very high96.1Very high100 Ų10074.1 Ų74.139%0.39238%0.383SS..EExtended strand (participates in β ladder)trans-103.1142.9169.9-51.9-79.3000109G152 A153 H167 T183 L184 H187G152-Y169 CarbonylContact O-C 3.6Å; A153-Y169 HydrophobicContact CB-CD1 4.33Å; H167-Y169 AromaticContact CD2-CE2 3.84Å; Y169-T183 CarbonylContact O-C 3.5Å; Y169-T183 WeakPolarHBondContact O-CA 3.4Å; Y169-T183 WeakPolarHBondContact O-CB 3.23Å; Y169-L184 HydrophobicContact CD2-CB 4.45Å; Y169-L184 HydrophobicContact CD2-CD2 4.35Å; Y169-L184 PolarHBondContact N-O 2.98Å; Y169-L184 PolarHBondContact O-N 2.67Å; Y169-H187 AromaticContact CE2-CE1 3.68Å; Y169-H187 AromaticContact CE2-ND1 3.7Å; Y169-H187 AromaticContact CZ-CE1 3.93Å; Y169-H187 PolarHBondContact OH-CE1 3.02Å; Y169-H187 VanDerWaalsContact OH-CE1 3.29Å
170A98.4Very high96.2Very high3 Ų375 Ų753%0.02539%0.386CS..EExtended strand (participates in β ladder)trans-134.5136.4-176.300000111F5 L8 I151 G152 A182 T183F5-A170 HydrophobicContact CD2-CB 4.48Å; F5-A170 HydrophobicContact CE2-CB 3.65Å; F5-A170 HydrophobicContact CZ-CB 4.07Å; L8-A170 HydrophobicContact CD1-CB 3.91Å; I151-A170 CarbonylContact C-O 3.48Å; I151-A170 WeakPolarHBondContact CA-O 3Å; G152-A170 PolarHBondContact N-O 3.31Å; G152-A170 PolarHBondContact O-N 3.23Å; A170-A182 WeakPolarHBondContact CA-O 2.87Å; A170-T183 HydrophobicContact CB-CG2 4.03Å
171I98.1Very high96.4Very high94 Ų9470.1 Ų70.148%0.48236%0.364SS..EExtended strand (participates in β ladder)trans-119134.3163.1-58.3177.7000107.1F149 I151 H181 A182F149-I171 HydrophobicContact CD1-CG2 4.28Å; I151-I171 HydrophobicContact CG2-CG1 4.35Å; I171-H181 WeakPolarHBondContact O-CA 3.42Å; I171-H181 PolarHBondContact O-ND1 2.86Å; I171-A182 PolarHBondContact N-O 3.48Å; I171-A182 PolarHBondContact O-N 2.89Å
172N98.2Very high96.6Very high5 Ų565.4 Ų65.43%0.02735%0.35CS..EExtended strand (participates in β ladder)trans-135.6116.8179.5179.7100.5000110.1L8 G9 F149 R150 Q179 V180L8-N172 HydrophobicContact CB-CB 4.36Å; L8-N172 HydrophobicContact CD1-CB 4.44Å; L8-N172 HydrophobicContact CD2-CB 3.95Å; L8-N172 HydrophobicContact CG-CB 4.48Å; G9-N172 PolarHBondContact N-OD1 3.25Å; F149-N172 CarbonylContact C-O 3.51Å; F149-N172 WeakPolarHBondContact CA-O 3.34Å; R150-N172 HydrophobicContact CB-CB 4.43Å; R150-N172 PolarHBondContact N-O 2.8Å; R150-N172 PolarHBondContact O-N 2.86Å; N172-Q179 PolarHBondContact OD1-NE2 3.22Å; N172-V180 CarbonylContact C-O 3.51Å; N172-V180 WeakPolarHBondContact CA-O 3.38Å
173F97.9Very high96.8Very high45 Ų4561.6 Ų61.620%0.19732%0.322CS..EExtended strand (participates in β ladder)trans-96.1134.8167.7171.9-99.3000109.8A148 F149 Q175 Q179 V180A148-F173 HydrophobicContact CB-CD2 3.71Å; A148-F173 HydrophobicContact CB-CE2 3.48Å; A148-F173 VanDerWaalsContact CB-CE2 3.48Å; A148-F173 HydrophobicContact CB-CZ 4.38Å; A148-F173 CarbonylContact O-C 3.43Å; A148-F173 WeakPolarHBondContact O-CA 3.48Å; F149-F173 HydrophobicContact CD1-CB 4.09Å; F149-F173 HydrophobicContact CD1-CD2 4.3Å; F149-F173 AromaticContact CD2-CD2 3.83Å; F149-F173 HydrophobicContact CD2-CD2 3.83Å; F149-F173 HydrophobicContact CD2-CE2 4.45Å; F149-F173 HydrophobicContact CE1-CB 3.84Å; F149-F173 AromaticContact CE1-CD2 3.94Å; F149-F173 HydrophobicContact CE1-CD2 3.94Å; F149-F173 HydrophobicContact CE1-CG 4.3Å; F149-F173 AromaticContact CE2-CD2 3.45Å; F149-F173 HydrophobicContact CE2-CD2 3.45Å; F149-F173 VanDerWaalsContact CE2-CD2 3.45Å; F149-F173 AromaticContact CE2-CE2 3.9Å; F149-F173 HydrophobicContact CE2-CE2 3.9Å; F149-F173 HydrophobicContact CG-CD2 4.27Å; F149-F173 HydrophobicContact CZ-CB 4.25Å; F149-F173 AromaticContact CZ-CD2 3.5Å; F149-F173 HydrophobicContact CZ-CD2 3.5Å; F149-F173 HydrophobicContact CZ-CE2 4.21Å; F149-F173 HydrophobicContact CZ-CG 4.2Å; F173-Q175 HydrophobicContact CE1-CB 3.97Å; F173-Q175 HydrophobicContact CE2-CB 4.21Å; F173-Q175 HydrophobicContact CZ-CB 3.55Å; F173-Q179 CarbonylContact O-C 3.57Å; F173-Q179 VanDerWaalsContact O-CA 3.24Å; F173-Q179 WeakPolarHBondContact O-CA 3.19Å; F173-Q179 WeakPolarHBondContact O-CG 3.44Å; F173-V180 HydrophobicContact CB-CB 4.31Å; F173-V180 HydrophobicContact CD1-CG2 4.32Å; F173-V180 PolarHBondContact N-O 3.46Å; F173-V180 PolarHBondContact O-N 3.17Å; F173-V180 VanDerWaalsContact O-O 3.13Å
174K96.5Very high97Very high119 Ų11958.7 Ų58.752%0.51731%0.31SS..EExtended strand (participates in β ladder)trans-145119.4173.9-176.6177.1178.9-177.30110.4A148 V178 Q179A148-K174 WeakPolarHBondContact CB-O 3.45Å; A148-K174 PolarHBondContact O-N 2.67Å; K174-V178 WeakPolarHBondContact CA-O 3.34Å; K174-Q179 HydrophobicContact CB-CB 4.4Å; K174-Q179 HydrophobicContact CB-CG 4.33Å; K174-Q179 HydrophobicContact CG-CB 4.25Å
175Q95.4Very high97.1Very high120 Ų12054.5 Ų54.556%0.56129%0.289SS*.EExtended strand (participates in β ladder)trans-142123.5176.2-175.6171.2-0.900109.6A148 F173 D177 V178A148-Q175 HydrophobicContact CB-CB 4.34Å; F173-Q175 HydrophobicContact CE1-CB 3.97Å; F173-Q175 HydrophobicContact CE2-CB 4.21Å; F173-Q175 HydrophobicContact CZ-CB 3.55Å; Q175-D177 PolarHBondContact O-N 3Å; Q175-V178 PolarHBondContact N-O 2.84Å; Q175-V178 PolarHBondContact O-N 3Å
176S93.7Very high97.1Very high119 Ų11952.7 Ų52.783%0.83228%0.282SS*.THydrogen-bonded Turntrans50.3-100.5178.8-172.80000113.3
177D95.8Very high97Very high64 Ų6453.9 Ų53.934%0.34229%0.289SS..THydrogen-bonded Turntrans-103.1-7.5-172.760-27.2000113.6Q175 Q196 K197Q175-D177 PolarHBondContact O-N 3Å; D177-Q196 CarbonylContact O-C 3.58Å; D177-Q196 VanDerWaalsContact O-CA 3.31Å; D177-Q196 WeakPolarHBondContact O-CA 3.33Å; D177-K197 HydrophobicContact CB-CB 4.13Å; D177-K197 WeakPolarHBondContact CB-O 3.3Å; D177-K197 PolarHBondContact O-N 3.27Å
178V97.5Very high96.9Very high37 Ų3754.4 Ų54.422%0.22430%0.297CS..EExtended strand (participates in β ladder)trans-112.2138.7179.9179.30000111.1K174 Q175 V180 F195 Q196K174-V178 WeakPolarHBondContact CA-O 3.34Å; Q175-V178 PolarHBondContact N-O 2.84Å; Q175-V178 PolarHBondContact O-N 3Å; V178-V180 HydrophobicContact CG1-CG2 4.22Å; V178-F195 CarbonylContact C-O 3.55Å; V178-F195 WeakPolarHBondContact CA-O 3.35Å; V178-Q196 HydrophobicContact CG2-CG 4.09Å
179Q98.1Very high96.9Very high10 Ų1055.3 Ų55.35%0.04730%0.302CS..EExtended strand (participates in β ladder)trans-135.6128167.4174.4179.320.800109.3S11 N172 F173 K174 V194 F195S11-Q179 PolarHBondContact OG-OE1 2.79Å; N172-Q179 PolarHBondContact OD1-NE2 3.22Å; F173-Q179 CarbonylContact O-C 3.57Å; F173-Q179 VanDerWaalsContact O-CA 3.24Å; F173-Q179 WeakPolarHBondContact O-CA 3.19Å; F173-Q179 WeakPolarHBondContact O-CG 3.44Å; K174-Q179 HydrophobicContact CB-CB 4.4Å; K174-Q179 HydrophobicContact CB-CG 4.33Å; K174-Q179 HydrophobicContact CG-CB 4.25Å; Q179-V194 CarbonylContact O-C 3.55Å; Q179-V194 WeakPolarHBondContact O-CA 3.35Å; Q179-F195 HydrophobicContact CB-CB 4.2Å; Q179-F195 HydrophobicContact CB-CD1 4.34Å; Q179-F195 PolarHBondContact N-O 2.87Å; Q179-F195 PolarHBondContact O-N 3.46Å
180V98.5Very high96.9Very high47 Ų4753.3 Ų53.329%0.28530%0.3SS..EExtended strand (participates in β ladder)trans-115.2132.2172.6-176.80000107.7N172 F173 V178 L192 S193 V194N172-V180 CarbonylContact C-O 3.51Å; N172-V180 WeakPolarHBondContact CA-O 3.38Å; F173-V180 HydrophobicContact CB-CB 4.31Å; F173-V180 HydrophobicContact CD1-CG2 4.32Å; F173-V180 PolarHBondContact N-O 3.46Å; F173-V180 PolarHBondContact O-N 3.17Å; F173-V180 VanDerWaalsContact O-O 3.13Å; V178-V180 HydrophobicContact CG1-CG2 4.22Å; V180-L192 HydrophobicContact CG1-CD1 3.71Å; V180-S193 CarbonylContact C-O 3.59Å; V180-S193 WeakPolarHBondContact CA-O 3.46Å; V180-V194 HydrophobicContact CG1-CG2 4.39Å; V180-V194 HydrophobicContact CG2-CG1 4.39Å; V180-V194 HydrophobicContact CG2-CG2 4.31Å
181H98.5Very high96.8Very high21 Ų2155.5 Ų55.510%0.09731%0.312CS..EExtended strand (participates in β ladder)trans-135.7121.2-179.9176.754.9000109.6L8 G9 I171 T183 L192 S193L8-H181 VanDerWaalsContact CB-CE1 3.41Å; L8-H181 WeakPolarHBondContact CB-CE1 3.34Å; G9-H181 VanDerWaalsContact CA-CD2 3.48Å; G9-H181 WeakPolarHBondContact CA-CD2 3.24Å; I171-H181 WeakPolarHBondContact O-CA 3.42Å; I171-H181 PolarHBondContact O-ND1 2.86Å; H181-T183 VanDerWaalsContact CE1-CG2 3.45Å; H181-T183 WeakPolarHBondContact CE1-CG2 3.44Å; H181-T183 VanDerWaalsContact NE2-CG2 3.35Å; H181-T183 WeakPolarHBondContact NE2-CG2 3.34Å; H181-L192 CarbonylContact O-C 3.55Å; H181-L192 WeakPolarHBondContact O-CA 3.36Å; H181-S193 PolarHBondContact N-O 3.36Å; H181-S193 PolarHBondContact O-N 3.03Å; H181-S193 PolarHBondContact O-OG 3.31Å
182A98.6Very high96.9Very high35 Ų3554.3 Ų54.329%0.28931%0.306SS..EExtended strand (participates in β ladder)trans-116.5141.1175.900000109.6A170 I171 D191 L192A170-A182 WeakPolarHBondContact CA-O 2.87Å; I171-A182 PolarHBondContact N-O 3.48Å; I171-A182 PolarHBondContact O-N 2.89Å; A182-D191 CarbonylContact C-O 3.54Å; A182-D191 VanDerWaalsContact CA-O 3.24Å; A182-D191 WeakPolarHBondContact CA-O 3.49Å; A182-L192 HydrophobicContact CB-CD1 4.06Å
183T98.4Very high96.9Very high22 Ų2255 Ų5514%0.13531%0.311CS..EExtended strand (participates in β ladder)trans-132.1145.1173.556.60000111.7I168 Y169 A170 H181 V190 D191I168-T183 HydrophobicContact CG2-CG2 4.3Å; Y169-T183 CarbonylContact O-C 3.5Å; Y169-T183 WeakPolarHBondContact O-CA 3.4Å; Y169-T183 WeakPolarHBondContact O-CB 3.23Å; A170-T183 HydrophobicContact CB-CG2 4.03Å; H181-T183 VanDerWaalsContact CE1-CG2 3.45Å; H181-T183 WeakPolarHBondContact CE1-CG2 3.44Å; H181-T183 VanDerWaalsContact NE2-CG2 3.35Å; H181-T183 WeakPolarHBondContact NE2-CG2 3.34Å; T183-V190 WeakPolarHBondContact O-CA 3.12Å; T183-D191 PolarHBondContact N-O 2.93Å; T183-D191 PolarHBondContact O-N 3.27Å
184L98.3Very high96.9Very high60 Ų6054.8 Ų54.831%0.31431%0.313SS..EExtended strand (participates in β ladder)trans-116.7114169.4-176.470.2000108.2I168 Y169 D189 V190I168-L184 CarbonylContact C-O 3.57Å; I168-L184 WeakPolarHBondContact CA-O 3.25Å; Y169-L184 HydrophobicContact CD2-CB 4.45Å; Y169-L184 HydrophobicContact CD2-CD2 4.35Å; Y169-L184 PolarHBondContact N-O 2.98Å; Y169-L184 PolarHBondContact O-N 2.67Å; L184-D189 CarbonylContact C-O 3.47Å; L184-D189 VanDerWaalsContact CA-O 3.3Å; L184-D189 WeakPolarHBondContact CA-O 3.04Å; L184-V190 HydrophobicContact CD1-CG2 3.92Å
185T97.1Very high97Very high20 Ų2050 Ų5012%0.12329%0.292CS..EExtended strand (participates in β ladder)trans-103.8138.9176.8-58.90000109.3K166 H167 I168 H187 S188 D189K166-T185 HydrophobicContact CG-CG2 4.25Å; H167-T185 WeakPolarHBondContact O-CA 3.29Å; I168-T185 HydrophobicContact CG1-CG2 4.16Å; T185-H187 PolarHBondContact O-N 2.66Å; T185-H187 VanDerWaalsContact O-N 3.08Å; T185-S188 PolarHBondContact O-N 3.02Å; T185-S188 VanDerWaalsContact O-N 3.09Å; T185-D189 PolarHBondContact N-O 2.92Å; T185-D189 WeakPolarHBondContact O-CB 3.46Å; T185-D189 PolarHBondContact O-N 3.09Å
186G93.4Very high97.1Very high35 Ų3547.7 Ų47.736%0.36128%0.282SS..THydrogen-bonded Turntrans61.226.3173.100000114.1H167 S188H167-G186 VanDerWaalsContact NE2-C 3.27Å; H167-G186 WeakPolarHBondContact NE2-CA 3.34Å; H167-G186 PolarHBondContact O-N 2.91Å; G186-S188 PolarHBondContact O-N 2.79Å; G186-S188 PolarHBondContact O-OG 3Å
187H91.5Very high97.3Very high122 Ų12247.2 Ų47.257%0.56527%0.265SS*.THydrogen-bonded Turntrans57.58.4-171.9-57-68.5000116.9H167 Y169 T185H167-H187 AromaticContact CD2-CD2 3.86Å; H167-H187 AromaticContact CD2-CE1 3.93Å; H167-H187 AromaticContact CD2-NE2 3.7Å; H167-H187 AromaticContact CE1-CD2 3.44Å; H167-H187 PolarHBondContact CE1-CD2 3.14Å; H167-H187 VanDerWaalsContact CE1-CD2 3.44Å; H167-H187 AromaticContact CE1-NE2 3.5Å; H167-H187 AromaticContact NE2-CD2 2.95Å; H167-H187 PolarHBondContact NE2-CD2 2.86Å; H167-H187 AromaticContact NE2-CE1 3.77Å; H167-H187 AromaticContact NE2-CG 3.48Å; H167-H187 PolarHBondContact NE2-N 2.79Å; H167-H187 AromaticContact NE2-ND1 3.95Å; H167-H187 AromaticContact NE2-NE2 3.17Å; H167-H187 PolarHBondContact NE2-NE2 2.88Å; H167-H187 VanDerWaalsContact NE2-NE2 3.17Å; Y169-H187 AromaticContact CE2-CE1 3.68Å; Y169-H187 AromaticContact CE2-ND1 3.7Å; Y169-H187 AromaticContact CZ-CE1 3.93Å; Y169-H187 PolarHBondContact OH-CE1 3.02Å; Y169-H187 VanDerWaalsContact OH-CE1 3.29Å; T185-H187 PolarHBondContact O-N 2.66Å; T185-H187 VanDerWaalsContact O-N 3.08Å
188S95Very high97.3Very high50 Ų5049.3 Ų49.335%0.3527%0.271SS..THydrogen-bonded Turntrans-141.5-45.3-169.948.40000113.5T185 G186 V190 P211T185-S188 PolarHBondContact O-N 3.02Å; T185-S188 VanDerWaalsContact O-N 3.09Å; G186-S188 PolarHBondContact O-N 2.79Å; G186-S188 PolarHBondContact O-OG 3Å; S188-V190 PolarHBondContact O-N 3.15Å; S188-P211 WeakPolarHBondContact O-CD 3.43Å; S188-P211 WeakPolarHBondContact O-CG 3.48Å
189D97.2Very high97.1Very high34 Ų3455.6 Ų55.618%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-71.9116.8-177.5-71.7-0.6000111.2L184 T185 R210L184-D189 CarbonylContact C-O 3.47Å; L184-D189 VanDerWaalsContact CA-O 3.3Å; L184-D189 WeakPolarHBondContact CA-O 3.04Å; T185-D189 PolarHBondContact N-O 2.92Å; T185-D189 WeakPolarHBondContact O-CB 3.46Å; T185-D189 PolarHBondContact O-N 3.09Å; D189-R210 VanDerWaalsContact CG-NE 3.26Å; D189-R210 WeakPolarHBondContact OD1-CD 3.45Å; D189-R210 IonicContact OD1-NE 2.77Å; D189-R210 VanDerWaalsContact OD2-CD 3.25Å; D189-R210 WeakPolarHBondContact OD2-CD 3.46Å; D189-R210 IonicContact OD2-CZ 3.42Å; D189-R210 IonicContact OD2-NE 2.79Å; D189-R210 PolarHBondContact OD2-NE 2.89Å; D189-R210 VanDerWaalsContact OD2-NE 3.09Å
190V98Very high97Very high58 Ų5859.2 Ų59.235%0.35232%0.315SS..EExtended strand (participates in β ladder)trans-103131.7179.4-1790000109.7T183 L184 S188 G208 W209 R210T183-V190 WeakPolarHBondContact O-CA 3.12Å; L184-V190 HydrophobicContact CD1-CG2 3.92Å; S188-V190 PolarHBondContact O-N 3.15Å; V190-G208 CarbonylContact O-C 3.59Å; V190-G208 VanDerWaalsContact O-CA 3.24Å; V190-G208 WeakPolarHBondContact O-CA 3.09Å; V190-W209 HydrophobicContact CG2-CE3 4.47Å; V190-W209 PolarHBondContact N-O 3.06Å; V190-W209 PolarHBondContact O-N 2.96Å; V190-R210 PolarHBondContact O-NH1 3.28Å
191D98Very high96.9Very high49 Ų4959.9 Ų59.926%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-126.9133164.8-62.8-60.7000109.8A182 T183 V207 G208 R210A182-D191 CarbonylContact C-O 3.54Å; A182-D191 VanDerWaalsContact CA-O 3.24Å; A182-D191 WeakPolarHBondContact CA-O 3.49Å; T183-D191 PolarHBondContact N-O 2.93Å; T183-D191 PolarHBondContact O-N 3.27Å; D191-V207 CarbonylContact C-O 3.58Å; D191-G208 WeakPolarHBondContact OD1-CA 3.28Å; D191-R210 VanDerWaalsContact CG-NH2 3.35Å; D191-R210 IonicContact OD1-CZ 2.67Å; D191-R210 IonicContact OD1-NH1 3.54Å; D191-R210 PolarHBondContact OD1-NH1 3.07Å; D191-R210 IonicContact OD1-NH2 3.88Å; D191-R210 PolarHBondContact OD1-NH2 3.48Å; D191-R210 VanDerWaalsContact OD1-NH2 3.15Å; D191-R210 IonicContact OD2-CZ 3.44Å; D191-R210 IonicContact OD2-NH1 3.62Å; D191-R210 IonicContact OD2-NH2 3.77Å; D191-R210 PolarHBondContact OD2-NH2 3.26Å
192L98.5Very high96.9Very high69 Ų6961.5 Ų61.536%0.36132%0.322SS..EExtended strand (participates in β ladder)trans-122.3135.6175.1177.366.1000108.6V180 H181 A182 R206 V207V180-L192 HydrophobicContact CG1-CD1 3.71Å; H181-L192 CarbonylContact O-C 3.55Å; H181-L192 WeakPolarHBondContact O-CA 3.36Å; A182-L192 HydrophobicContact CB-CD1 4.06Å; L192-R206 CarbonylContact O-C 3.59Å; L192-R206 VanDerWaalsContact O-CA 3.26Å; L192-R206 WeakPolarHBondContact O-CA 3.39Å; L192-V207 PolarHBondContact N-O 3.45Å; L192-V207 PolarHBondContact O-N 3.32Å
193S98.3Very high96.9Very high18 Ų1861.9 Ų61.913%0.12632%0.319CS..EExtended strand (participates in β ladder)trans-135.5140171.961.30000111.4V180 H181 F205V180-S193 CarbonylContact C-O 3.59Å; V180-S193 WeakPolarHBondContact CA-O 3.46Å; H181-S193 PolarHBondContact N-O 3.36Å; H181-S193 PolarHBondContact O-N 3.03Å; H181-S193 PolarHBondContact O-OG 3.31Å; S193-F205 CarbonylContact C-O 3.55Å; S193-F205 VanDerWaalsContact CA-O 3.22Å; S193-F205 WeakPolarHBondContact CA-O 3.39Å
194V98.5Very high96.9Very high42 Ų4260.8 Ų60.826%0.25531%0.313SS..EExtended strand (participates in β ladder)trans-121.8127.5176.9-177.70000108Q179 V180 G204 F205Q179-V194 CarbonylContact O-C 3.55Å; Q179-V194 WeakPolarHBondContact O-CA 3.35Å; V180-V194 HydrophobicContact CG1-CG2 4.39Å; V180-V194 HydrophobicContact CG2-CG1 4.39Å; V180-V194 HydrophobicContact CG2-CG2 4.31Å; V194-G204 CarbonylContact O-C 3.59Å; V194-G204 VanDerWaalsContact O-CA 3.3Å; V194-G204 WeakPolarHBondContact O-CA 3.31Å; V194-F205 HydrophobicContact CB-CB 4.33Å; V194-F205 HydrophobicContact CB-CD2 4.39Å; V194-F205 PolarHBondContact N-O 2.79Å; V194-F205 PolarHBondContact O-N 3.39Å
195F98.6Very high96.9Very high18 Ų1862.3 Ų62.38%0.07932%0.317CS..EExtended strand (participates in β ladder)trans-112.9135.1170.3168.2-86.3000108.6S11 A12 I15 V178 Q179 K197 K202 L203S11-F195 VanDerWaalsContact C-CD2 3.44Å; S11-F195 VanDerWaalsContact CB-CD2 3.41Å; S11-F195 VanDerWaalsContact CB-CG 3.45Å; S11-F195 VanDerWaalsContact O-CD2 3.31Å; S11-F195 WeakPolarHBondContact O-CD2 3.38Å; A12-F195 HydrophobicContact CB-CB 4.09Å; I15-F195 HydrophobicContact CD1-CD2 3.49Å; I15-F195 VanDerWaalsContact CD1-CD2 3.49Å; I15-F195 HydrophobicContact CD1-CE2 3.64Å; I15-F195 HydrophobicContact CG1-CD2 4.3Å; I15-F195 HydrophobicContact CG1-CE2 4.28Å; V178-F195 CarbonylContact C-O 3.55Å; V178-F195 WeakPolarHBondContact CA-O 3.35Å; Q179-F195 HydrophobicContact CB-CB 4.2Å; Q179-F195 HydrophobicContact CB-CD1 4.34Å; Q179-F195 PolarHBondContact N-O 2.87Å; Q179-F195 PolarHBondContact O-N 3.46Å; F195-K197 HydrophobicContact CE1-CB 4.06Å; F195-K197 HydrophobicContact CZ-CB 4.16Å; F195-K202 HydrophobicContact CE2-CB 4.07Å; F195-K202 HydrophobicContact CE2-CD 3.86Å; F195-K202 HydrophobicContact CE2-CG 4.27Å; F195-K202 HydrophobicContact CZ-CB 4.4Å; F195-K202 HydrophobicContact CZ-CD 3.84Å; F195-K202 HydrophobicContact CZ-CG 4.17Å; F195-L203 WeakPolarHBondContact CA-O 3.22Å
196Q98.1Very high96.9Very high71 Ų7165.9 Ų65.933%0.33233%0.328SS..EExtended strand (participates in β ladder)trans-135.6133.6172.2-172.7173.628.400110.2D177 V178 K202 L203D177-Q196 CarbonylContact O-C 3.58Å; D177-Q196 VanDerWaalsContact O-CA 3.31Å; D177-Q196 WeakPolarHBondContact O-CA 3.33Å; V178-Q196 HydrophobicContact CG2-CG 4.09Å; Q196-K202 CarbonylContact O-C 3.57Å; Q196-K202 WeakPolarHBondContact O-CA 3.17Å; Q196-L203 HydrophobicContact CB-CB 4.47Å; Q196-L203 PolarHBondContact N-O 2.8Å; Q196-L203 PolarHBondContact O-N 2.77Å
197K97.9Very high97.1Very high110 Ų11066.9 Ų66.948%0.47833%0.327SS..EExtended strand (participates in β ladder)trans-101.4126.5169.9-176.9-172.4175.4-163.50108.6D177 F195 K202D177-K197 HydrophobicContact CB-CB 4.13Å; D177-K197 WeakPolarHBondContact CB-O 3.3Å; D177-K197 PolarHBondContact O-N 3.27Å; F195-K197 HydrophobicContact CE1-CB 4.06Å; F195-K197 HydrophobicContact CZ-CB 4.16Å; K197-K202 HydrophobicContact CG-CG 4.29Å
198F94.6Very high97.5Very high107 Ų10761.2 Ų61.247%0.46930%0.301SS..EExtended strand (participates in β ladder)trans-138.2114.4177.5179.5-105.1000109.7D200 M201F198-D200 PolarHBondContact O-N 2.83Å; F198-M201 PolarHBondContact N-O 3.49Å; F198-M201 WeakPolarHBondContact O-CA 3.33Å; F198-M201 VanDerWaalsContact O-CB 3.29Å; F198-M201 WeakPolarHBondContact O-CB 3.45Å; F198-M201 PolarHBondContact O-N 2.74Å
199K94Very high97.6Very high170 Ų17064.8 Ų64.874%0.73931%0.307SS*.THydrogen-bonded Turntrans49.4-122.4-174.4-58.1-179.3178.3179.40111.3M201K199-M201 VanDerWaalsContact C-N 3.3Å
200D95.8Very high97.6Very high86 Ų8666 Ų6646%0.4631%0.309SS..THydrogen-bonded Turntrans-864.3177-77.2-52.8000114.2F198 Y224 K225F198-D200 PolarHBondContact O-N 2.83Å; D200-Y224 HydrophobicContact CB-CD2 4.24Å; D200-Y224 HydrophobicContact CB-CE2 3.93Å; D200-K225 HydrophobicContact CB-CB 4.11Å; D200-K225 PolarHBondContact O-N 2.75Å
201M96.7Very high97.5Very high60 Ų6065.2 Ų65.230%0.29631%0.306SS..EExtended strand (participates in β ladder)trans-104.5147179.7-60.6170.775.300111.6F198 K199 L222 R223 Y224F198-M201 PolarHBondContact N-O 3.49Å; F198-M201 WeakPolarHBondContact O-CA 3.33Å; F198-M201 VanDerWaalsContact O-CB 3.29Å; F198-M201 WeakPolarHBondContact O-CB 3.45Å; F198-M201 PolarHBondContact O-N 2.74Å; K199-M201 VanDerWaalsContact C-N 3.3Å; M201-L222 HydrophobicContact CB-CD1 3.95Å; M201-L222 HydrophobicContact CE-CD1 3.39Å; M201-L222 HydrophobicContact CE-CD2 3.98Å; M201-L222 HydrophobicContact CE-CG 4.35Å; M201-L222 HydrophobicContact CG-CD1 4.13Å; M201-R223 CarbonylContact C-O 3.55Å; M201-R223 WeakPolarHBondContact CA-O 3.43Å; M201-Y224 HydrophobicContact CG-CD2 3.4Å; M201-Y224 VanDerWaalsContact CG-CD2 3.4Å; M201-Y224 HydrophobicContact CG-CE2 4.02Å; M201-Y224 HydrophobicContact CG-CG 4.29Å; M201-Y224 HydrophobicContact SD-CD2 4.46Å
202K98Very high97.3Very high56 Ų5668.8 Ų68.824%0.24333%0.325CS..EExtended strand (participates in β ladder)trans-127.1127.1162.9-62.7-172.6172-166.80108.5I15 F195 Q196 K197 L222 R223I15-K202 HydrophobicContact CD1-CB 3.83Å; I15-K202 HydrophobicContact CG1-CB 4.43Å; F195-K202 HydrophobicContact CE2-CB 4.07Å; F195-K202 HydrophobicContact CE2-CD 3.86Å; F195-K202 HydrophobicContact CE2-CG 4.27Å; F195-K202 HydrophobicContact CZ-CB 4.4Å; F195-K202 HydrophobicContact CZ-CD 3.84Å; F195-K202 HydrophobicContact CZ-CG 4.17Å; Q196-K202 CarbonylContact O-C 3.57Å; Q196-K202 WeakPolarHBondContact O-CA 3.17Å; K197-K202 HydrophobicContact CG-CG 4.29Å; K202-L222 CarbonylContact O-C 3.58Å; K202-L222 WeakPolarHBondContact O-CA 3.31Å; K202-R223 HydrophobicContact CB-CB 4.37Å; K202-R223 PolarHBondContact N-O 2.75Å; K202-R223 PolarHBondContact O-N 2.86Å
203L98.4Very high97.1Very high42 Ų4268.8 Ų68.822%0.2233%0.328CS..EExtended strand (participates in β ladder)trans-108.8142.1-180-62.6169.1000109.2I15 F195 Q196 F205 A221 L222I15-L203 VanDerWaalsContact CD1-O 3.26Å; I15-L203 WeakPolarHBondContact CD1-O 3.32Å; F195-L203 WeakPolarHBondContact CA-O 3.22Å; Q196-L203 HydrophobicContact CB-CB 4.47Å; Q196-L203 PolarHBondContact N-O 2.8Å; Q196-L203 PolarHBondContact O-N 2.77Å; L203-F205 HydrophobicContact CB-CE2 3.98Å; L203-F205 HydrophobicContact CB-CZ 4.4Å; L203-A221 CarbonylContact C-O 3.53Å; L203-A221 WeakPolarHBondContact CA-O 3.06Å; L203-L222 HydrophobicContact CD2-CB 4.28Å; L203-L222 HydrophobicContact CD2-CD1 3.61Å; L203-L222 HydrophobicContact CG-CD1 4.49Å
204G98.4Very high96.9Very high0 Ų078.3 Ų78.30%036%0.361CS..EExtended strand (participates in β ladder)trans-133.2128.3174.400000109.1F16 V194 A220 A221F16-G204 WeakPolarHBondContact CZ-O 3.28Å; V194-G204 CarbonylContact O-C 3.59Å; V194-G204 VanDerWaalsContact O-CA 3.3Å; V194-G204 WeakPolarHBondContact O-CA 3.31Å; G204-A220 CarbonylContact O-C 3.49Å; G204-A220 WeakPolarHBondContact O-CA 3.29Å; G204-A221 PolarHBondContact N-O 2.84Å; G204-A221 PolarHBondContact O-N 3.08Å
205F98.5Very high96.7Very high92 Ų9282.4 Ų82.440%0.40438%0.377SS..EExtended strand (participates in β ladder)trans-119.8145.2171.2-55.7-83.5000108.4S193 V194 L203 G219 A220S193-F205 CarbonylContact C-O 3.55Å; S193-F205 VanDerWaalsContact CA-O 3.22Å; S193-F205 WeakPolarHBondContact CA-O 3.39Å; V194-F205 HydrophobicContact CB-CB 4.33Å; V194-F205 HydrophobicContact CB-CD2 4.39Å; V194-F205 PolarHBondContact N-O 2.79Å; V194-F205 PolarHBondContact O-N 3.39Å; L203-F205 HydrophobicContact CB-CE2 3.98Å; L203-F205 HydrophobicContact CB-CZ 4.4Å; F205-G219 CarbonylContact C-O 3.54Å; F205-G219 WeakPolarHBondContact CA-O 3.46Å; F205-A220 HydrophobicContact CD1-CB 4.01Å; F205-A220 HydrophobicContact CE1-CB 4.13Å
206R97.8Very high96.6Very high94 Ų9484.7 Ų84.736%0.35539%0.393SS..EExtended strand (participates in β ladder)trans-137.7143172.667.8-178.3-174.2175.62.1110.4F16 L192 F218 G219F16-R206 HydrophobicContact CE1-CG 4.23Å; F16-R206 HydrophobicContact CE2-CB 4.38Å; F16-R206 HydrophobicContact CE2-CG 4.25Å; F16-R206 HydrophobicContact CZ-CB 4.42Å; F16-R206 HydrophobicContact CZ-CG 3.89Å; L192-R206 CarbonylContact O-C 3.59Å; L192-R206 VanDerWaalsContact O-CA 3.26Å; L192-R206 WeakPolarHBondContact O-CA 3.39Å; R206-F218 CarbonylContact O-C 3.59Å; R206-F218 WeakPolarHBondContact O-CA 3.49Å; R206-G219 PolarHBondContact N-O 2.9Å; R206-G219 PolarHBondContact O-N 2.85Å
207V98.2Very high96.5Very high57 Ų5783 Ų8335%0.34539%0.389SS..EExtended strand (participates in β ladder)trans-134.3133.7171.1-174.90000106.7D191 L192 S217 F218D191-V207 CarbonylContact C-O 3.58Å; L192-V207 PolarHBondContact N-O 3.45Å; L192-V207 PolarHBondContact O-N 3.32Å; V207-S217 CarbonylContact C-O 3.6Å; V207-S217 VanDerWaalsContact CA-O 3.29Å; V207-S217 WeakPolarHBondContact CA-O 3.2Å; V207-F218 HydrophobicContact CB-CD1 4.38Å; V207-F218 HydrophobicContact CB-CE1 4.34Å; V207-F218 HydrophobicContact CG1-CD1 4.08Å; V207-F218 HydrophobicContact CG1-CE1 3.66Å; V207-F218 HydrophobicContact CG1-CZ 4.2Å; V207-F218 HydrophobicContact CG2-CD1 3.77Å; V207-F218 HydrophobicContact CG2-CE1 3.83Å
208G98.1Very high96.5Very high2 Ų283 Ų832%0.02139%0.389CS..EExtended strand (participates in β ladder)trans-133142.7173.400000109.9V190 D191 T216 S217V190-G208 CarbonylContact O-C 3.59Å; V190-G208 VanDerWaalsContact O-CA 3.24Å; V190-G208 WeakPolarHBondContact O-CA 3.09Å; D191-G208 WeakPolarHBondContact OD1-CA 3.28Å; G208-T216 CarbonylContact O-C 3.53Å; G208-T216 WeakPolarHBondContact O-CA 3.16Å; G208-S217 WeakPolarHBondContact CA-OG 3.41Å; G208-S217 PolarHBondContact N-O 2.77Å; G208-S217 PolarHBondContact N-OG 2.86Å; G208-S217 PolarHBondContact O-N 2.84Å; G208-S217 PolarHBondContact O-OG 2.86Å
209W97.9Very high96.7Very high126 Ų12678.4 Ų78.448%0.47737%0.371SS..EExtended strand (participates in β ladder)trans-131.7136.4176.6-179.653.7000109.8V190 P211V190-W209 HydrophobicContact CG2-CE3 4.47Å; V190-W209 PolarHBondContact N-O 3.06Å; V190-W209 PolarHBondContact O-N 2.96Å; W209-P211 HydrophobicContact CD2-CG 4.17Å; W209-P211 HydrophobicContact CE3-CG 3.93Å; W209-P211 HydrophobicContact CH2-CB 4.03Å; W209-P211 HydrophobicContact CH2-CG 3.77Å; W209-P211 HydrophobicContact CZ2-CB 3.98Å; W209-P211 HydrophobicContact CZ2-CG 4Å; W209-P211 HydrophobicContact CZ3-CB 4.49Å; W209-P211 HydrophobicContact CZ3-CG 3.74Å
210R97.5Very high96.9Very high58 Ų5871.9 Ų71.922%0.21935%0.35CS..EExtended strand (participates in β ladder)trans-124.6103-179.6-63.3-60.2-178.4-84.52.3107.8D189 V190 D191 D212 T213 R214 E215D189-R210 VanDerWaalsContact CG-NE 3.26Å; D189-R210 WeakPolarHBondContact OD1-CD 3.45Å; D189-R210 IonicContact OD1-NE 2.77Å; D189-R210 VanDerWaalsContact OD2-CD 3.25Å; D189-R210 WeakPolarHBondContact OD2-CD 3.46Å; D189-R210 IonicContact OD2-CZ 3.42Å; D189-R210 IonicContact OD2-NE 2.79Å; D189-R210 PolarHBondContact OD2-NE 2.89Å; D189-R210 VanDerWaalsContact OD2-NE 3.09Å; V190-R210 PolarHBondContact O-NH1 3.28Å; D191-R210 VanDerWaalsContact CG-NH2 3.35Å; D191-R210 IonicContact OD1-CZ 2.67Å; D191-R210 IonicContact OD1-NH1 3.54Å; D191-R210 PolarHBondContact OD1-NH1 3.07Å; D191-R210 IonicContact OD1-NH2 3.88Å; D191-R210 PolarHBondContact OD1-NH2 3.48Å; D191-R210 VanDerWaalsContact OD1-NH2 3.15Å; D191-R210 IonicContact OD2-CZ 3.44Å; D191-R210 IonicContact OD2-NH1 3.62Å; D191-R210 IonicContact OD2-NH2 3.77Å; D191-R210 PolarHBondContact OD2-NH2 3.26Å; R210-D212 VanDerWaalsContact C-N 3.3Å; R210-D212 WeakPolarHBondContact CB-OD1 3.27Å; R210-D212 PolarHBondContact O-N 3.01Å; R210-T213 WeakPolarHBondContact CB-OG1 3.33Å; R210-R214 CarbonylContact O-C 3.57Å; R210-R214 WeakPolarHBondContact O-CA 3.15Å; R210-R214 PolarHBondContact O-N 2.88Å; R210-E215 PolarHBondContact N-O 3.29Å; R210-E215 PolarHBondContact O-N 3.25Å
211P94.8Very high97Very high43 Ų4368.1 Ų68.128%0.27933%0.33SS..THydrogen-bonded Turntrans-65.5-32.5-173.2-23.533.7000113.9S188 W209S188-P211 WeakPolarHBondContact O-CD 3.43Å; S188-P211 WeakPolarHBondContact O-CG 3.48Å; W209-P211 HydrophobicContact CD2-CG 4.17Å; W209-P211 HydrophobicContact CE3-CG 3.93Å; W209-P211 HydrophobicContact CH2-CB 4.03Å; W209-P211 HydrophobicContact CH2-CG 3.77Å; W209-P211 HydrophobicContact CZ2-CB 3.98Å; W209-P211 HydrophobicContact CZ2-CG 4Å; W209-P211 HydrophobicContact CZ3-CB 4.49Å; W209-P211 HydrophobicContact CZ3-CG 3.74Å
212D93.8Very high97.1Very high124 Ų12467.3 Ų67.366%0.66333%0.327SS*.THydrogen-bonded Turntrans-64.6-46.5-17962.1-29.1000112.3R210R210-D212 VanDerWaalsContact C-N 3.3Å; R210-D212 WeakPolarHBondContact CB-OD1 3.27Å; R210-D212 PolarHBondContact O-N 3.01Å
213T94.8Very high97.1Very high69 Ų6968.2 Ų68.242%0.42333%0.329SS..THydrogen-bonded Turntrans-92.2-10177.562.70000113R210 E215R210-T213 WeakPolarHBondContact CB-OG1 3.33Å; T213-E215 PolarHBondContact O-N 3.21Å; T213-E215 WeakPolarHBondContact OG1-CB 3.45Å; T213-E215 VanDerWaalsContact OG1-CG 3.27Å; T213-E215 WeakPolarHBondContact OG1-CG 3.49Å; T213-E215 PolarHBondContact OG1-N 3.34Å
214R93.9Very high97.1Very high218 Ų21871 Ų7182%0.82334%0.337SS*.THydrogen-bonded Turntrans56.122.5-168.9-56.3-179.7178.5-179.5-0.5113.2R210R210-R214 CarbonylContact O-C 3.57Å; R210-R214 WeakPolarHBondContact O-CA 3.15Å; R210-R214 PolarHBondContact O-N 2.88Å
215E94.7Very high97Very high128 Ų12874.9 Ų74.960%0.59835%0.354SS*.EExtended strand (participates in β ladder)trans-78.6136.4178-70.9176.5168.200110.6R210 T213R210-E215 PolarHBondContact N-O 3.29Å; R210-E215 PolarHBondContact O-N 3.25Å; T213-E215 PolarHBondContact O-N 3.21Å; T213-E215 WeakPolarHBondContact OG1-CB 3.45Å; T213-E215 VanDerWaalsContact OG1-CG 3.27Å; T213-E215 WeakPolarHBondContact OG1-CG 3.49Å; T213-E215 PolarHBondContact OG1-N 3.34Å
216T96.3Very high96.9Very high66 Ų6673.3 Ų73.341%0.40535%0.352SS..EExtended strand (participates in β ladder)trans-117.7128.2169.1-49.90000108.8G208 F218G208-T216 CarbonylContact O-C 3.53Å; G208-T216 WeakPolarHBondContact O-CA 3.16Å; T216-F218 HydrophobicContact CG2-CD2 3.99Å; T216-F218 HydrophobicContact CG2-CE2 3.24Å; T216-F218 HydrophobicContact CG2-CZ 3.55Å
217S96.8Very high96.9Very high35 Ų3570.8 Ų70.825%0.24535%0.349CS..EExtended strand (participates in β ladder)trans-109.1142.1175.866.40000110.5V207 G208V207-S217 CarbonylContact C-O 3.6Å; V207-S217 VanDerWaalsContact CA-O 3.29Å; V207-S217 WeakPolarHBondContact CA-O 3.2Å; G208-S217 WeakPolarHBondContact CA-OG 3.41Å; G208-S217 PolarHBondContact N-O 2.77Å; G208-S217 PolarHBondContact N-OG 2.86Å; G208-S217 PolarHBondContact O-N 2.84Å; G208-S217 PolarHBondContact O-OG 2.86Å
218F97.4Very high96.7Very high110 Ų11073.6 Ų73.648%0.48237%0.368SS..EExtended strand (participates in β ladder)trans-133.4150.9177-69.6-84.6000109.1R206 V207 T216 D237 Q238R206-F218 CarbonylContact O-C 3.59Å; R206-F218 WeakPolarHBondContact O-CA 3.49Å; V207-F218 HydrophobicContact CB-CD1 4.38Å; V207-F218 HydrophobicContact CB-CE1 4.34Å; V207-F218 HydrophobicContact CG1-CD1 4.08Å; V207-F218 HydrophobicContact CG1-CE1 3.66Å; V207-F218 HydrophobicContact CG1-CZ 4.2Å; V207-F218 HydrophobicContact CG2-CD1 3.77Å; V207-F218 HydrophobicContact CG2-CE1 3.83Å; T216-F218 HydrophobicContact CG2-CD2 3.99Å; T216-F218 HydrophobicContact CG2-CE2 3.24Å; T216-F218 HydrophobicContact CG2-CZ 3.55Å; F218-D237 CarbonylContact O-C 3.57Å; F218-D237 VanDerWaalsContact O-CA 3.28Å; F218-D237 WeakPolarHBondContact O-CA 3.25Å; F218-Q238 HydrophobicContact CB-CB 4.2Å; F218-Q238 HydrophobicContact CD2-CB 4.48Å; F218-Q238 PolarHBondContact O-N 3.29Å; F218-Q238 VanDerWaalsContact O-N 3.08Å; F218-Q238 PolarHBondContact O-OE1 3.4Å
219G98.2Very high96.6Very high10 Ų1076.6 Ų76.610%0.10339%0.386CS..EExtended strand (participates in β ladder)trans-158.9147167.200000112.2F205 R206 I236F205-G219 CarbonylContact C-O 3.54Å; F205-G219 WeakPolarHBondContact CA-O 3.46Å; R206-G219 PolarHBondContact N-O 2.9Å; R206-G219 PolarHBondContact O-N 2.85Å; G219-I236 VanDerWaalsContact CA-O 3.22Å; G219-I236 WeakPolarHBondContact CA-O 3.47Å
220A98.6Very high96.6Very high34 Ų3470.6 Ų70.628%0.28136%0.364SS..EExtended strand (participates in β ladder)trans-125.8139.9170.800000108.7G204 F205 K235 I236G204-A220 CarbonylContact O-C 3.49Å; G204-A220 WeakPolarHBondContact O-CA 3.29Å; F205-A220 HydrophobicContact CD1-CB 4.01Å; F205-A220 HydrophobicContact CE1-CB 4.13Å; A220-K235 CarbonylContact O-C 3.46Å; A220-K235 VanDerWaalsContact O-CA 3.28Å; A220-K235 WeakPolarHBondContact O-CA 3.21Å; A220-I236 HydrophobicContact CB-CG2 4.13Å; A220-I236 PolarHBondContact N-O 2.92Å; A220-I236 PolarHBondContact O-N 3.35Å
221A98.5Very high96.6Very high6 Ų671.6 Ų71.65%0.0537%0.369CS..EExtended strand (participates in β ladder)trans-142.8143.4177.500000111.4I15 F16 L203 G204 V234 K235I15-A221 HydrophobicContact CB-CB 4.37Å; I15-A221 HydrophobicContact CG2-CB 3.55Å; F16-A221 HydrophobicContact CD1-CB 3.79Å; F16-A221 HydrophobicContact CD2-CB 4.13Å; F16-A221 HydrophobicContact CE1-CB 3.57Å; F16-A221 HydrophobicContact CE2-CB 3.93Å; F16-A221 HydrophobicContact CG-CB 4.06Å; F16-A221 HydrophobicContact CZ-CB 3.64Å; L203-A221 CarbonylContact C-O 3.53Å; L203-A221 WeakPolarHBondContact CA-O 3.06Å; G204-A221 PolarHBondContact N-O 2.84Å; G204-A221 PolarHBondContact O-N 3.08Å; A221-V234 CarbonylContact C-O 3.46Å; A221-V234 VanDerWaalsContact CA-O 3.23Å; A221-V234 WeakPolarHBondContact CA-O 3.45Å; A221-K235 HydrophobicContact CB-CB 3.78Å
222L98.2Very high96.8Very high44 Ų4471.4 Ų71.423%0.2337%0.367CS..EExtended strand (participates in β ladder)trans-123.4140178.1170.564.8000108.9M201 K202 L203 K233 V234M201-L222 HydrophobicContact CB-CD1 3.95Å; M201-L222 HydrophobicContact CE-CD1 3.39Å; M201-L222 HydrophobicContact CE-CD2 3.98Å; M201-L222 HydrophobicContact CE-CG 4.35Å; M201-L222 HydrophobicContact CG-CD1 4.13Å; K202-L222 CarbonylContact O-C 3.58Å; K202-L222 WeakPolarHBondContact O-CA 3.31Å; L203-L222 HydrophobicContact CD2-CB 4.28Å; L203-L222 HydrophobicContact CD2-CD1 3.61Å; L203-L222 HydrophobicContact CG-CD1 4.49Å; L222-K233 CarbonylContact O-C 3.51Å; L222-K233 WeakPolarHBondContact O-CA 3.35Å; L222-V234 PolarHBondContact N-O 2.84Å; L222-V234 PolarHBondContact O-N 2.74Å
223R98.2Very high97Very high75 Ų7565.8 Ų65.828%0.28334%0.337SS..EExtended strand (participates in β ladder)trans-122.6118.3158.8-176.4-168.886.7167.514.8108.9I15 M201 K202 V232 K233I15-R223 HydrophobicContact CG2-CB 4.41Å; M201-R223 CarbonylContact C-O 3.55Å; M201-R223 WeakPolarHBondContact CA-O 3.43Å; K202-R223 HydrophobicContact CB-CB 4.37Å; K202-R223 PolarHBondContact N-O 2.75Å; K202-R223 PolarHBondContact O-N 2.86Å; R223-V232 CarbonylContact C-O 3.52Å; R223-V232 WeakPolarHBondContact CA-O 3.27Å; R223-K233 HydrophobicContact CB-CG 3.93Å; R223-K233 HydrophobicContact CG-CD 4.35Å; R223-K233 HydrophobicContact CG-CG 3.73Å
224Y98Very high97.1Very high101 Ų10165 Ų6540%0.39633%0.332SS..EExtended strand (participates in β ladder)trans-114.6135.2176.9178.1-122.4000110.8D200 M201 T226 K231 V232D200-Y224 HydrophobicContact CB-CD2 4.24Å; D200-Y224 HydrophobicContact CB-CE2 3.93Å; M201-Y224 HydrophobicContact CG-CD2 3.4Å; M201-Y224 VanDerWaalsContact CG-CD2 3.4Å; M201-Y224 HydrophobicContact CG-CE2 4.02Å; M201-Y224 HydrophobicContact CG-CG 4.29Å; M201-Y224 HydrophobicContact SD-CD2 4.46Å; Y224-T226 HydrophobicContact CD1-CG2 3.86Å; Y224-T226 HydrophobicContact CE1-CG2 4.22Å; Y224-T226 PolarHBondContact O-N 2.8Å; Y224-K231 CarbonylContact O-C 3.54Å; Y224-K231 WeakPolarHBondContact O-CA 3.19Å; Y224-V232 HydrophobicContact CD1-CG1 4.12Å; Y224-V232 HydrophobicContact CG-CG1 4.45Å; Y224-V232 PolarHBondContact N-O 2.92Å; Y224-V232 PolarHBondContact O-N 2.8Å
225K97.5Very high97.3Very high80 Ų8056.8 Ų56.835%0.34830%0.302SS..EExtended strand (participates in β ladder)trans-84.3108.5173-177.7-172.1173.8-162.10108.3D200 S227D200-K225 HydrophobicContact CB-CB 4.11Å; D200-K225 PolarHBondContact O-N 2.75Å; K225-S227 VanDerWaalsContact CE-O 3.28Å; K225-S227 WeakPolarHBondContact CE-O 3.32Å; K225-S227 WeakPolarHBondContact CG-O 3.39Å
226T96.5Very high97.5Very high60 Ų6054.5 Ų54.537%0.36829%0.293SS..  trans-82.7-28.3-177.852.50000112.3Y224 G230 V232 Y246Y224-T226 HydrophobicContact CD1-CG2 3.86Å; Y224-T226 HydrophobicContact CE1-CG2 4.22Å; Y224-T226 PolarHBondContact O-N 2.8Å; T226-G230 PolarHBondContact N-O 2.87Å; T226-G230 WeakPolarHBondContact OG1-CA 3.09Å; T226-G230 PolarHBondContact OG1-O 2.85Å; T226-V232 HydrophobicContact CG2-CB 4.09Å; T226-V232 HydrophobicContact CG2-CG1 3.76Å; T226-Y246 HydrophobicContact CG2-CE2 4.25Å; T226-Y246 PolarHBondContact OG1-OH 2.86Å
227S95.9Very high97.5Very high40 Ų4053.2 Ų53.228%0.2828%0.284SS..SBendtrans-155.7177.8175.779.60000110.1K225 T229 G230K225-S227 VanDerWaalsContact CE-O 3.28Å; K225-S227 WeakPolarHBondContact CE-O 3.32Å; K225-S227 WeakPolarHBondContact CG-O 3.39Å; S227-T229 PolarHBondContact O-N 2.89Å; S227-T229 VanDerWaalsContact O-N 3.17Å; S227-T229 PolarHBondContact OG-N 2.87Å; S227-T229 PolarHBondContact OG-OG1 2.76Å; S227-G230 PolarHBondContact N-O 2.87Å; S227-G230 PolarHBondContact O-N 3.43Å; S227-G230 PolarHBondContact OG-N 2.85Å
228P95.3Very high97.4Very high117 Ų11755.2 Ų55.276%0.7629%0.289SS*.SBendtrans-54.1-30.7171.9-27.837.1000113.8
229T96.4Very high97.3Very high65 Ų6553.7 Ų53.740%0.39929%0.286SS..SBendtrans-106.8-20-177.654.10000114S227 K249S227-T229 PolarHBondContact O-N 2.89Å; S227-T229 VanDerWaalsContact O-N 3.17Å; S227-T229 PolarHBondContact OG-N 2.87Å; S227-T229 PolarHBondContact OG-OG1 2.76Å; T229-K249 WeakPolarHBondContact CB-O 3.45Å; T229-K249 HydrophobicContact CG2-CB 4.38Å; T229-K249 PolarHBondContact O-N 2.77Å
230G97.4Very high97.1Very high0 Ų056 Ų560%030%0.3CS..EExtended strand (participates in β ladder)trans-103.8138.3-173.900000114.1T226 S227 K247T226-G230 PolarHBondContact N-O 2.87Å; T226-G230 WeakPolarHBondContact OG1-CA 3.09Å; T226-G230 PolarHBondContact OG1-O 2.85Å; S227-G230 PolarHBondContact N-O 2.87Å; S227-G230 PolarHBondContact O-N 3.43Å; S227-G230 PolarHBondContact OG-N 2.85Å; G230-K247 CarbonylContact C-O 3.54Å; G230-K247 WeakPolarHBondContact CA-O 3.5Å
231K97.8Very high97Very high79 Ų7955.8 Ų55.834%0.34330%0.295SS..EExtended strand (participates in β ladder)trans-139.2127.6173.4-65.7169.6-174.5157.90109.9Y224 K247Y224-K231 CarbonylContact O-C 3.54Å; Y224-K231 WeakPolarHBondContact O-CA 3.19Å; K231-K247 HydrophobicContact CB-CB 4.48Å; K231-K247 PolarHBondContact N-O 2.93Å; K231-K247 PolarHBondContact O-N 3.35Å
232V98.1Very high96.9Very high38 Ų3857.3 Ų57.323%0.2330%0.304CS..EExtended strand (participates in β ladder)trans-99.6144.7169.968.80000110R223 Y224 T226 A245 Y246R223-V232 CarbonylContact C-O 3.52Å; R223-V232 WeakPolarHBondContact CA-O 3.27Å; Y224-V232 HydrophobicContact CD1-CG1 4.12Å; Y224-V232 HydrophobicContact CG-CG1 4.45Å; Y224-V232 PolarHBondContact N-O 2.92Å; Y224-V232 PolarHBondContact O-N 2.8Å; T226-V232 HydrophobicContact CG2-CB 4.09Å; T226-V232 HydrophobicContact CG2-CG1 3.76Å; V232-A245 CarbonylContact C-O 3.47Å; V232-A245 WeakPolarHBondContact CA-O 3.33Å; V232-Y246 HydrophobicContact CB-CD2 4.06Å; V232-Y246 HydrophobicContact CB-CE2 4.48Å; V232-Y246 HydrophobicContact CG2-CD2 4.41Å
233K98Very high96.8Very high6 Ų655.3 Ų55.33%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-126.7139.2169.6-68.6-175.366.6-177.70109.8D14 I15 K18 F20 L222 R223 L244 A245D14-K233 PolarHBondContact O-NZ 2.97Å; I15-K233 VanDerWaalsContact C-NZ 3.32Å; I15-K233 WeakPolarHBondContact O-CE 3.37Å; I15-K233 PolarHBondContact O-NZ 2.86Å; K18-K233 PolarHBondContact O-NZ 2.83Å; F20-K233 HydrophobicContact CE1-CB 4.36Å; F20-K233 HydrophobicContact CE2-CB 4.23Å; F20-K233 HydrophobicContact CE2-CD 4.43Å; F20-K233 HydrophobicContact CZ-CB 3.71Å; L222-K233 CarbonylContact O-C 3.51Å; L222-K233 WeakPolarHBondContact O-CA 3.35Å; R223-K233 HydrophobicContact CB-CG 3.93Å; R223-K233 HydrophobicContact CG-CD 4.35Å; R223-K233 HydrophobicContact CG-CG 3.73Å; K233-L244 CarbonylContact O-C 3.54Å; K233-L244 WeakPolarHBondContact O-CA 3.25Å; K233-A245 HydrophobicContact CB-CB 4.28Å; K233-A245 PolarHBondContact N-O 2.83Å; K233-A245 PolarHBondContact O-N 2.82Å
234V98.2Very high96.8Very high52 Ų5254.9 Ų54.932%0.31530%0.297SS..EExtended strand (participates in β ladder)trans-129.8139173.7-176.20000107.3A221 L222 G243 L244A221-V234 CarbonylContact C-O 3.46Å; A221-V234 VanDerWaalsContact CA-O 3.23Å; A221-V234 WeakPolarHBondContact CA-O 3.45Å; L222-V234 PolarHBondContact N-O 2.84Å; L222-V234 PolarHBondContact O-N 2.74Å; V234-G243 CarbonylContact C-O 3.51Å; V234-G243 VanDerWaalsContact CA-O 3.29Å; V234-G243 WeakPolarHBondContact CA-O 3.39Å; V234-L244 HydrophobicContact CB-CD2 4.19Å; V234-L244 HydrophobicContact CG1-CD2 3.84Å; V234-L244 HydrophobicContact CG2-CD2 3.74Å
235K98Very high96.8Very high47 Ų4750.3 Ų50.320%0.20428%0.28CS..EExtended strand (participates in β ladder)trans-139.6151.2167.366.4175.5174.9-179.60110.7F16 F20 A220 A221 V242 G243F16-K235 HydrophobicContact CD1-CB 4.35Å; F16-K235 HydrophobicContact CD1-CD 4.38Å; F16-K235 WeakPolarHBondContact O-CD 3.37Å; F16-K235 PolarHBondContact O-NZ 3.03Å; F20-K235 HydrophobicContact CD2-CD 3.91Å; F20-K235 HydrophobicContact CE1-CG 4.33Å; F20-K235 HydrophobicContact CE2-CB 4.34Å; F20-K235 HydrophobicContact CE2-CD 3.62Å; F20-K235 HydrophobicContact CE2-CG 3.89Å; F20-K235 HydrophobicContact CG-CD 4.49Å; F20-K235 HydrophobicContact CZ-CB 4.24Å; F20-K235 HydrophobicContact CZ-CD 3.99Å; F20-K235 HydrophobicContact CZ-CG 3.74Å; A220-K235 CarbonylContact O-C 3.46Å; A220-K235 VanDerWaalsContact O-CA 3.28Å; A220-K235 WeakPolarHBondContact O-CA 3.21Å; A221-K235 HydrophobicContact CB-CB 3.78Å; K235-V242 CarbonylContact O-C 3.55Å; K235-V242 WeakPolarHBondContact O-CA 3.34Å; K235-G243 PolarHBondContact N-O 2.65Å; K235-G243 PolarHBondContact O-N 3.11Å
236I97.9Very high96.9Very high79 Ų7950.8 Ų50.841%0.40528%0.28SS..EExtended strand (participates in β ladder)trans-138.4148.2171.7-171168.2000108.9G219 A220 V241 V242G219-I236 VanDerWaalsContact CA-O 3.22Å; G219-I236 WeakPolarHBondContact CA-O 3.47Å; A220-I236 HydrophobicContact CB-CG2 4.13Å; A220-I236 PolarHBondContact N-O 2.92Å; A220-I236 PolarHBondContact O-N 3.35Å; I236-V241 WeakPolarHBondContact CA-O 3.49Å; I236-V242 HydrophobicContact CD1-CG2 3.98Å; I236-V242 HydrophobicContact CG1-CG2 4.1Å
237D96.9Very high96.9Very high40 Ų4051.1 Ų51.121%0.21428%0.276CS..EExtended strand (participates in β ladder)trans-123.7178173.870.524.1000112.8F218 N239 C240 V241F218-D237 CarbonylContact O-C 3.57Å; F218-D237 VanDerWaalsContact O-CA 3.28Å; F218-D237 WeakPolarHBondContact O-CA 3.25Å; D237-N239 PolarHBondContact O-N 3.1Å; D237-N239 WeakPolarHBondContact OD1-CA 3.37Å; D237-N239 WeakPolarHBondContact OD1-CB 3.42Å; D237-N239 PolarHBondContact OD1-N 3.11Å; D237-C240 PolarHBondContact O-N 2.95Å; D237-C240 VanDerWaalsContact O-N 3.11Å; D237-V241 PolarHBondContact N-O 2.88Å; D237-V241 WeakPolarHBondContact OD1-CB 3.28Å; D237-V241 PolarHBondContact OD1-N 3.47Å
238Q95.4Very high97Very high76 Ų7651.9 Ų51.936%0.35528%0.277SS..THydrogen-bonded Turntrans-61.1-15.3-177.674.7-807.100114.4F218 C240F218-Q238 HydrophobicContact CB-CB 4.2Å; F218-Q238 HydrophobicContact CD2-CB 4.48Å; F218-Q238 PolarHBondContact O-N 3.29Å; F218-Q238 VanDerWaalsContact O-N 3.08Å; F218-Q238 PolarHBondContact O-OE1 3.4Å; Q238-C240 VanDerWaalsContact C-N 3.34Å
239N94.2Very high97.1Very high78 Ų7851.3 Ų51.342%0.41726%0.263SS..THydrogen-bonded Turntrans-94.310.3180-68.9-41.7000112.7D237 V241 K265D237-N239 PolarHBondContact O-N 3.1Å; D237-N239 WeakPolarHBondContact OD1-CA 3.37Å; D237-N239 WeakPolarHBondContact OD1-CB 3.42Å; D237-N239 PolarHBondContact OD1-N 3.11Å; N239-V241 HydrophobicContact CB-CG2 4.07Å; N239-V241 PolarHBondContact O-N 3.25Å; N239-K265 WeakPolarHBondContact O-CE 3.28Å
240C94.2Very high97.1Very high60 Ų6052.6 Ų52.641%0.40527%0.267SS..  trans60.125.9-171.2-66.20000113.3D237 Q238 V242 G264 K265D237-C240 PolarHBondContact O-N 2.95Å; D237-C240 VanDerWaalsContact O-N 3.11Å; Q238-C240 VanDerWaalsContact C-N 3.34Å; C240-V242 PolarHBondContact O-N 3.07Å; C240-G264 VanDerWaalsContact O-CA 3.28Å; C240-G264 WeakPolarHBondContact O-CA 3.44Å; C240-G264 PolarHBondContact O-N 2.92Å; C240-K265 HydrophobicContact CB-CG 4.12Å
241V95.5Very high96.9Very high29 Ų2956.4 Ų56.418%0.17629%0.287CS..EExtended strand (participates in β ladder)trans-83.3118.6173.7176.80000108.8I236 D237 N239 Q261 F262I236-V241 WeakPolarHBondContact CA-O 3.49Å; D237-V241 PolarHBondContact N-O 2.88Å; D237-V241 WeakPolarHBondContact OD1-CB 3.28Å; D237-V241 PolarHBondContact OD1-N 3.47Å; N239-V241 HydrophobicContact CB-CG2 4.07Å; N239-V241 PolarHBondContact O-N 3.25Å; V241-Q261 HydrophobicContact CG1-CG 3.7Å; V241-F262 CarbonylContact C-O 3.58Å; V241-F262 WeakPolarHBondContact CA-O 3.45Å
242V96.6Very high96.8Very high38 Ų3857 Ų5723%0.2330%0.301CS..EExtended strand (participates in β ladder)trans-105.6125.7-177.6-178.80000110K235 I236 C240 L244 Q261 F262K235-V242 CarbonylContact O-C 3.55Å; K235-V242 WeakPolarHBondContact O-CA 3.34Å; I236-V242 HydrophobicContact CD1-CG2 3.98Å; I236-V242 HydrophobicContact CG1-CG2 4.1Å; C240-V242 PolarHBondContact O-N 3.07Å; V242-L244 HydrophobicContact CG1-CD2 4.32Å; V242-Q261 CarbonylContact O-C 3.53Å; V242-Q261 WeakPolarHBondContact O-CA 3.44Å; V242-F262 HydrophobicContact CB-CB 4.4Å; V242-F262 PolarHBondContact N-O 3.31Å; V242-F262 PolarHBondContact O-N 2.83Å
243G97.7Very high96.6Very high1 Ų158 Ų581%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-109.5125.8173.600000111.5V234 K235 T260V234-G243 CarbonylContact C-O 3.51Å; V234-G243 VanDerWaalsContact CA-O 3.29Å; V234-G243 WeakPolarHBondContact CA-O 3.39Å; K235-G243 PolarHBondContact N-O 2.65Å; K235-G243 PolarHBondContact O-N 3.11Å; G243-T260 WeakPolarHBondContact CA-O 3.28Å
244L98Very high96.5Very high66 Ų6658.1 Ų58.135%0.34631%0.307SS..EExtended strand (participates in β ladder)trans-111.7140.6170.3-56.9-178.1000110K233 V234 V242 C259 T260 F262K233-L244 CarbonylContact O-C 3.54Å; K233-L244 WeakPolarHBondContact O-CA 3.25Å; V234-L244 HydrophobicContact CB-CD2 4.19Å; V234-L244 HydrophobicContact CG1-CD2 3.84Å; V234-L244 HydrophobicContact CG2-CD2 3.74Å; V242-L244 HydrophobicContact CG1-CD2 4.32Å; L244-C259 CarbonylContact O-C 3.54Å; L244-C259 WeakPolarHBondContact O-CA 3.47Å; L244-C259 WeakPolarHBondContact O-CB 3.42Å; L244-T260 HydrophobicContact CB-CG2 3.88Å; L244-T260 HydrophobicContact CD1-CG2 4.44Å; L244-T260 HydrophobicContact CG-CG2 4.48Å; L244-T260 PolarHBondContact N-O 3.36Å; L244-T260 PolarHBondContact O-N 2.8Å; L244-F262 HydrophobicContact CD1-CE2 3.82Å; L244-F262 HydrophobicContact CG-CE2 4.19Å
245A98.1Very high96.5Very high6 Ų656.8 Ų56.85%0.0530%0.3CS..EExtended strand (participates in β ladder)trans-144.1142.1168.700000111.4F20 V232 K233 L258 C259F20-A245 HydrophobicContact CD1-CB 3.72Å; F20-A245 HydrophobicContact CE1-CB 3.58Å; F20-A245 HydrophobicContact CZ-CB 4.39Å; V232-A245 CarbonylContact C-O 3.47Å; V232-A245 WeakPolarHBondContact CA-O 3.33Å; K233-A245 HydrophobicContact CB-CB 4.28Å; K233-A245 PolarHBondContact N-O 2.83Å; K233-A245 PolarHBondContact O-N 2.82Å; A245-L258 CarbonylContact C-O 3.55Å; A245-L258 WeakPolarHBondContact CA-O 3.36Å; A245-C259 HydrophobicContact CB-CB 3.74Å
246Y98.2Very high96.4Very high89 Ų8956.8 Ų56.835%0.34930%0.302SS..EExtended strand (participates in β ladder)trans-123.4124.8173.2-166.4-98.4000109.3T226 V232 L248 A257 L258T226-Y246 HydrophobicContact CG2-CE2 4.25Å; T226-Y246 PolarHBondContact OG1-OH 2.86Å; V232-Y246 HydrophobicContact CB-CD2 4.06Å; V232-Y246 HydrophobicContact CB-CE2 4.48Å; V232-Y246 HydrophobicContact CG2-CD2 4.41Å; Y246-L248 HydrophobicContact CD1-CB 4.4Å; Y246-L248 HydrophobicContact CE1-CB 4.11Å; Y246-L248 HydrophobicContact CE1-CD1 4.39Å; Y246-A257 CarbonylContact O-C 3.55Å; Y246-A257 VanDerWaalsContact O-CA 3.25Å; Y246-A257 WeakPolarHBondContact O-CA 3.1Å; Y246-L258 PolarHBondContact N-O 2.76Å; Y246-L258 PolarHBondContact O-N 2.84Å
247K97.5Very high96.4Very high67 Ų6753.3 Ų53.329%0.29129%0.285SS..EExtended strand (participates in β ladder)trans-112.1124.5177-176.8172.5-172.8166.50109.3G230 K231 C255 L256 A257G230-K247 CarbonylContact C-O 3.54Å; G230-K247 WeakPolarHBondContact CA-O 3.5Å; K231-K247 HydrophobicContact CB-CB 4.48Å; K231-K247 PolarHBondContact N-O 2.93Å; K231-K247 PolarHBondContact O-N 3.35Å; K247-C255 WeakPolarHBondContact CE-SG 3.12Å; K247-L256 CarbonylContact C-O 3.54Å; K247-L256 WeakPolarHBondContact CA-O 3.49Å; K247-A257 HydrophobicContact CB-CB 4.28Å; K247-A257 HydrophobicContact CG-CB 4.3Å
248L97.4Very high96.5Very high56 Ų5655.3 Ų55.329%0.29330%0.295SS..EExtended strand (participates in β ladder)trans-119.4119.1179.7-176.763.9000109.7Y246 L250 C255 L256Y246-L248 HydrophobicContact CD1-CB 4.4Å; Y246-L248 HydrophobicContact CE1-CB 4.11Å; Y246-L248 HydrophobicContact CE1-CD1 4.39Å; L248-L250 HydrophobicContact CD2-CD2 3.66Å; L248-L250 HydrophobicContact CG-CD2 4.03Å; L248-L250 PolarHBondContact O-N 2.8Å; L248-C255 WeakPolarHBondContact O-CA 3.37Å; L248-C255 PolarHBondContact O-SG 2.87Å; L248-C255 VanDerWaalsContact O-SG 3.36Å; L248-L256 PolarHBondContact N-O 2.87Å; L248-L256 PolarHBondContact O-N 3.37Å
249K97.1Very high96.6Very high106 Ų10652.2 Ų52.246%0.46128%0.281SS..EExtended strand (participates in β ladder)trans-80112.3166.3-175.3174.1-178.8179.30107.9T229 N251T229-K249 WeakPolarHBondContact CB-O 3.45Å; T229-K249 HydrophobicContact CG2-CB 4.38Å; T229-K249 PolarHBondContact O-N 2.77Å; K249-N251 WeakPolarHBondContact CE-O 3.17Å; K249-N251 WeakPolarHBondContact CG-O 3.44Å
250L96.4Very high96.7Very high91 Ų9150.1 Ų50.148%0.47627%0.271SS..  trans-77.5-44.7-178.2-62.2172.6000110.5L248 A254 L256 F278L248-L250 HydrophobicContact CD2-CD2 3.66Å; L248-L250 HydrophobicContact CG-CD2 4.03Å; L248-L250 PolarHBondContact O-N 2.8Å; L250-A254 HydrophobicContact CB-CB 3.99Å; L250-A254 HydrophobicContact CD1-CB 4.16Å; L250-A254 PolarHBondContact N-O 2.78Å; L250-L256 HydrophobicContact CD1-CB 4.3Å; L250-L256 HydrophobicContact CG-CB 4.49Å; L250-F278 HydrophobicContact CD1-CE2 4.09Å
251N94.9Very high96.9Very high81 Ų8149.7 Ų49.743%0.43326%0.264SS..SBendtrans-154-162.9172.263.721.3000110K249 D253 A254K249-N251 WeakPolarHBondContact CE-O 3.17Å; K249-N251 WeakPolarHBondContact CG-O 3.44Å; N251-D253 PolarHBondContact O-N 2.79Å; N251-D253 PolarHBondContact OD1-N 2.96Å; N251-A254 PolarHBondContact N-O 2.97Å; N251-A254 VanDerWaalsContact OD1-CB 3.31Å; N251-A254 WeakPolarHBondContact OD1-CB 3.5Å; N251-A254 PolarHBondContact OD1-N 3.5Å
252S93.6Very high96.8Very high90 Ų9051.2 Ų51.263%0.62927%0.268SS*.SBendtrans-52.9-37.5176.835.50000113.6
253D94.8Very high96.7Very high61 Ų6151.9 Ų51.933%0.32627%0.27SS..SBendtrans-112-21.8-164.6-51.2-60.5000112.5N251 F280 G281N251-D253 PolarHBondContact O-N 2.79Å; N251-D253 PolarHBondContact OD1-N 2.96Å; D253-F280 HydrophobicContact CB-CE2 4.5Å; D253-F280 CarbonylContact O-C 3.57Å; D253-F280 WeakPolarHBondContact O-CA 3.35Å; D253-G281 PolarHBondContact O-N 3.23Å
254A96.7Very high96.3Very high7 Ų753.4 Ų53.46%0.05829%0.286CS..EExtended strand (participates in β ladder)trans-110.9132.2-173.900000111.9L250 N251 K279 F280L250-A254 HydrophobicContact CB-CB 3.99Å; L250-A254 HydrophobicContact CD1-CB 4.16Å; L250-A254 PolarHBondContact N-O 2.78Å; N251-A254 PolarHBondContact N-O 2.97Å; N251-A254 VanDerWaalsContact OD1-CB 3.31Å; N251-A254 WeakPolarHBondContact OD1-CB 3.5Å; N251-A254 PolarHBondContact OD1-N 3.5Å; A254-K279 CarbonylContact C-O 3.56Å; A254-K279 WeakPolarHBondContact CA-O 3.46Å; A254-F280 HydrophobicContact CB-CD2 4.05Å
255C97Very high96Very high24 Ų2456.4 Ų56.416%0.16230%0.296CS..EExtended strand (participates in β ladder)trans-137131.5175.3-169.40000110.9K247 L248 K279K247-C255 WeakPolarHBondContact CE-SG 3.12Å; L248-C255 WeakPolarHBondContact O-CA 3.37Å; L248-C255 PolarHBondContact O-SG 2.87Å; L248-C255 VanDerWaalsContact O-SG 3.36Å; C255-K279 PolarHBondContact N-O 3.31Å; C255-K279 PolarHBondContact O-N 2.84Å
256L97.4Very high95.6Very high48 Ų4859.5 Ų59.525%0.25131%0.312SS..EExtended strand (participates in β ladder)trans-108.2139171.3-17863.7000109.3K247 L248 L250 L258 I276 M277 F278K247-L256 CarbonylContact C-O 3.54Å; K247-L256 WeakPolarHBondContact CA-O 3.49Å; L248-L256 PolarHBondContact N-O 2.87Å; L248-L256 PolarHBondContact O-N 3.37Å; L250-L256 HydrophobicContact CD1-CB 4.3Å; L250-L256 HydrophobicContact CG-CB 4.49Å; L256-L258 HydrophobicContact CD1-CD2 4.48Å; L256-I276 HydrophobicContact CD1-CG2 3.9Å; L256-M277 CarbonylContact C-O 3.49Å; L256-M277 WeakPolarHBondContact CA-O 3.45Å; L256-F278 HydrophobicContact CD1-CB 4.47Å; L256-F278 HydrophobicContact CD1-CD2 4.48Å
257A97.4Very high95.1Very high5 Ų560.7 Ų60.74%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-131.8133.5166.100000110.1Y246 K247 I276 M277Y246-A257 CarbonylContact O-C 3.55Å; Y246-A257 VanDerWaalsContact O-CA 3.25Å; Y246-A257 WeakPolarHBondContact O-CA 3.1Å; K247-A257 HydrophobicContact CB-CB 4.28Å; K247-A257 HydrophobicContact CG-CB 4.3Å; A257-I276 CarbonylContact O-C 3.55Å; A257-I276 WeakPolarHBondContact O-CA 3.12Å; A257-M277 HydrophobicContact CB-CB 4.29Å; A257-M277 PolarHBondContact N-O 2.81Å; A257-M277 PolarHBondContact O-N 3.12Å
258L98.1Very high94.6Very high82 Ų8266.5 Ų66.543%0.42935%0.352SS..EExtended strand (participates in β ladder)trans-112.4141.4174.3-58.5172.1000107.5A245 Y246 L256 I276A245-L258 CarbonylContact C-O 3.55Å; A245-L258 WeakPolarHBondContact CA-O 3.36Å; Y246-L258 PolarHBondContact N-O 2.76Å; Y246-L258 PolarHBondContact O-N 2.84Å; L256-L258 HydrophobicContact CD1-CD2 4.48Å; L258-I276 HydrophobicContact CD2-CB 4.41Å; L258-I276 HydrophobicContact CD2-CD1 4.33Å; L258-I276 HydrophobicContact CD2-CG1 3.84Å; L258-I276 HydrophobicContact CD2-CG2 4.16Å
259C97.8Very high93.8Very high11 Ų1170.3 Ų70.37%0.07437%0.373CS..EExtended strand (participates in β ladder)trans-143.7151.917465.90000111.5F20 S21 F22 L244 A245 Y274 G275F20-C259 HydrophobicContact CD1-CB 4.42Å; S21-C259 VanDerWaalsContact C-SG 3.52Å; S21-C259 PolarHBondContact N-SG 3.48Å; F22-C259 HydrophobicContact CD1-CB 4.02Å; F22-C259 HydrophobicContact CE1-CB 3.86Å; L244-C259 CarbonylContact O-C 3.54Å; L244-C259 WeakPolarHBondContact O-CA 3.47Å; L244-C259 WeakPolarHBondContact O-CB 3.42Å; A245-C259 HydrophobicContact CB-CB 3.74Å; C259-Y274 CarbonylContact O-C 3.59Å; C259-Y274 WeakPolarHBondContact O-CA 3.41Å; C259-G275 PolarHBondContact N-O 2.88Å; C259-G275 PolarHBondContact O-N 2.89Å
260T97.2Very high92.9Very high34 Ų3467 Ų6721%0.20937%0.369CS..EExtended strand (participates in β ladder)trans-143.8145.6174.9-178.60000110.3F22 G243 L244 F262 K273F22-T260 WeakPolarHBondContact CE1-O 3.38Å; G243-T260 WeakPolarHBondContact CA-O 3.28Å; L244-T260 HydrophobicContact CB-CG2 3.88Å; L244-T260 HydrophobicContact CD1-CG2 4.44Å; L244-T260 HydrophobicContact CG-CG2 4.48Å; L244-T260 PolarHBondContact N-O 3.36Å; L244-T260 PolarHBondContact O-N 2.8Å; T260-F262 HydrophobicContact CG2-CD2 4.28Å; T260-F262 HydrophobicContact CG2-CE2 3.32Å; T260-F262 HydrophobicContact CG2-CZ 3.54Å; T260-K273 CarbonylContact C-O 3.53Å; T260-K273 WeakPolarHBondContact CA-O 3.38Å
261Q96.8Very high92.3Very high52 Ų5266.2 Ų66.224%0.24338%0.382CS..EExtended strand (participates in β ladder)trans-120128176.1-179.2-178.3-0.500108.9F22 V241 V242 Q272 K273F22-Q261 HydrophobicContact CB-CB 4.25Å; F22-Q261 HydrophobicContact CD1-CB 3.71Å; F22-Q261 HydrophobicContact CD2-CB 3.82Å; F22-Q261 HydrophobicContact CD2-CG 4.24Å; F22-Q261 VanDerWaalsContact CD2-OE1 3.23Å; F22-Q261 HydrophobicContact CE1-CB 3.88Å; F22-Q261 HydrophobicContact CE2-CB 3.96Å; F22-Q261 HydrophobicContact CE2-CG 4.23Å; F22-Q261 HydrophobicContact CG-CB 3.68Å; F22-Q261 HydrophobicContact CZ-CB 3.98Å; V241-Q261 HydrophobicContact CG1-CG 3.7Å; V242-Q261 CarbonylContact O-C 3.53Å; V242-Q261 WeakPolarHBondContact O-CA 3.44Å; Q261-Q272 WeakPolarHBondContact O-CA 3.39Å; Q261-Q272 WeakPolarHBondContact O-CB 3.33Å; Q261-Q272 PolarHBondContact O-OE1 2.84Å; Q261-K273 HydrophobicContact CB-CB 4.32Å; Q261-K273 PolarHBondContact N-O 3.17Å; Q261-K273 PolarHBondContact O-N 3.33Å; Q261-K273 VanDerWaalsContact O-N 3.15Å
262F94.6Very high92Very high61 Ų6164.8 Ų64.827%0.26837%0.373SS..EExtended strand (participates in β ladder)trans-108.4131.6175.7-55.8-80000111V241 V242 L244 T260 G264 Q272V241-F262 CarbonylContact C-O 3.58Å; V241-F262 WeakPolarHBondContact CA-O 3.45Å; V242-F262 HydrophobicContact CB-CB 4.4Å; V242-F262 PolarHBondContact N-O 3.31Å; V242-F262 PolarHBondContact O-N 2.83Å; L244-F262 HydrophobicContact CD1-CE2 3.82Å; L244-F262 HydrophobicContact CG-CE2 4.19Å; T260-F262 HydrophobicContact CG2-CD2 4.28Å; T260-F262 HydrophobicContact CG2-CE2 3.32Å; T260-F262 HydrophobicContact CG2-CZ 3.54Å; F262-G264 PolarHBondContact O-N 3.47Å; F262-Q272 HydrophobicContact CD1-CB 4.25Å; F262-Q272 HydrophobicContact CD1-CG 3.88Å; F262-Q272 HydrophobicContact CE1-CG 4.36Å
263D93.4Very high92Very high52 Ų5264.4 Ų64.428%0.27836%0.36SS..EExtended strand (participates in β ladder)trans-82.9103.1159.2-176.2-6.6000108.7K265 N266 L267D263-K265 PolarHBondContact O-N 2.81Å; D263-K265 WeakPolarHBondContact OD1-CB 3.22Å; D263-K265 PolarHBondContact OD1-N 3.15Å; D263-N266 HydrophobicContact CB-CB 4.3Å; D263-N266 CarbonylContact O-C 3.31Å; D263-N266 VanDerWaalsContact O-C 3.31Å; D263-N266 PolarHBondContact O-N 2.82Å; D263-N266 PolarHBondContact OD2-ND2 3.36Å; D263-L267 PolarHBondContact O-N 3.01Å
264G90.5Very high92Very high32 Ų3268.2 Ų68.233%0.3337%0.371SS..THydrogen-bonded Turntrans-65.8-14.6-179.300000114.1C240 F262C240-G264 VanDerWaalsContact O-CA 3.28Å; C240-G264 WeakPolarHBondContact O-CA 3.44Å; C240-G264 PolarHBondContact O-N 2.92Å; F262-G264 PolarHBondContact O-N 3.47Å
265K90.8Very high92.1Very high129 Ų12968 Ų6856%0.56137%0.369SS*.THydrogen-bonded Turntrans-85.1-22172.6-62.3177.7179.7173.30112.3N239 C240 D263N239-K265 WeakPolarHBondContact O-CE 3.28Å; C240-K265 HydrophobicContact CB-CG 4.12Å; D263-K265 PolarHBondContact O-N 2.81Å; D263-K265 WeakPolarHBondContact OD1-CB 3.22Å; D263-K265 PolarHBondContact OD1-N 3.15Å
266N90.8Very high92.1Very high72 Ų7269.6 Ų69.639%0.38538%0.375SS..  trans-132.450.8-172.5-65.7-56.8000111.6D263 E268D263-N266 HydrophobicContact CB-CB 4.3Å; D263-N266 CarbonylContact O-C 3.31Å; D263-N266 VanDerWaalsContact O-C 3.31Å; D263-N266 PolarHBondContact O-N 2.82Å; D263-N266 PolarHBondContact OD2-ND2 3.36Å; N266-E268 VanDerWaalsContact C-N 3.29Å; N266-E268 PolarHBondContact O-N 2.94Å
267L86.2Confident92.1Very high114 Ų11469 Ų6960%0.59737%0.372SS*.SBendtrans-63-35-178.8-83.5146.1000113D263D263-L267 PolarHBondContact O-N 3.01Å
268E86.8Confident92.1Very high188 Ų18870.9 Ų70.988%0.87938%0.379SS*.THydrogen-bonded Turntrans-82.8-26.9-173.4-59.7-177.7176.100113.5N266 G270N266-E268 VanDerWaalsContact C-N 3.29Å; N266-E268 PolarHBondContact O-N 2.94Å; E268-G270 VanDerWaalsContact C-N 3.27Å; E268-G270 PolarHBondContact O-N 3.06Å
269N82.2Confident92Very high137 Ų13770.4 Ų70.473%0.73337%0.374SS*.THydrogen-bonded Turntrans-86.88.3-173.1-68.3-30.1000113.8
270G78.7Confident91.9Very high37 Ų3774.3 Ų74.338%0.38139%0.39SS..  trans71.7-146.6-176.500000112.8E268 Q272E268-G270 VanDerWaalsContact C-N 3.27Å; E268-G270 PolarHBondContact O-N 3.06Å; G270-Q272 VanDerWaalsContact C-N 3.26Å; G270-Q272 PolarHBondContact O-N 2.93Å
271G81.7Confident91.6Very high74 Ų7473.8 Ų73.876%0.76339%0.391SS*.  trans78.84-178.200000115.4
272Q89.2Confident90.2Very high51 Ų5175.9 Ų75.924%0.23841%0.411CS..  trans-68.7133.5178.3-42.6-51.60.800110.5Q261 F262 G270Q261-Q272 WeakPolarHBondContact O-CA 3.39Å; Q261-Q272 WeakPolarHBondContact O-CB 3.33Å; Q261-Q272 PolarHBondContact O-OE1 2.84Å; F262-Q272 HydrophobicContact CD1-CB 4.25Å; F262-Q272 HydrophobicContact CD1-CG 3.88Å; F262-Q272 HydrophobicContact CE1-CG 4.36Å; G270-Q272 VanDerWaalsContact C-N 3.26Å; G270-Q272 PolarHBondContact O-N 2.93Å
273K94.6Very high90Very high82 Ų8276.7 Ų76.736%0.35742%0.418SS..EExtended strand (participates in β ladder)trans-102.3125.7-176.9-65.4178.3-178.7175.80109.6F22 T260 Q261F22-K273 HydrophobicContact CB-CB 3.92Å; F22-K273 HydrophobicContact CB-CD 4.45Å; T260-K273 CarbonylContact C-O 3.53Å; T260-K273 WeakPolarHBondContact CA-O 3.38Å; Q261-K273 HydrophobicContact CB-CB 4.32Å; Q261-K273 PolarHBondContact N-O 3.17Å; Q261-K273 PolarHBondContact O-N 3.33Å; Q261-K273 VanDerWaalsContact O-N 3.15Å
274Y95.1Very high89.8Confident140 Ų14077.9 Ų77.955%0.54943%0.426SS..EExtended strand (participates in β ladder)trans-105.2158.5171.157.1-87.1000110.8G23 L25 T47 C259G23-Y274 VanDerWaalsContact CA-O 3.25Å; G23-Y274 WeakPolarHBondContact CA-O 3.43Å; G23-Y274 PolarHBondContact N-O 2.89Å; L25-Y274 HydrophobicContact CD2-CD2 4.46Å; L25-Y274 HydrophobicContact CD2-CE2 4.42Å; T47-Y274 HydrophobicContact CG2-CE2 4.35Å; C259-Y274 CarbonylContact O-C 3.59Å; C259-Y274 WeakPolarHBondContact O-CA 3.41Å
275G97Very high89.8Confident2 Ų280.5 Ų80.52%0.02143%0.431CS..EExtended strand (participates in β ladder)trans-153.1145.4176.800000111.8F24 C259F24-G275 CarbonylContact O-C 3.54Å; F24-G275 WeakPolarHBondContact O-CA 3.2Å; C259-G275 PolarHBondContact N-O 2.88Å; C259-G275 PolarHBondContact O-N 2.89Å
276I97.5Very high89.7Confident58 Ų5877.6 Ų77.630%0.29742%0.423SS..EExtended strand (participates in β ladder)trans-123.4138.8177.9-56.2-178.7000107.4F24 L25 N26 L256 A257 L258F24-I276 PolarHBondContact O-N 2.87Å; L25-I276 CarbonylContact C-O 3.51Å; L25-I276 WeakPolarHBondContact CA-O 3.49Å; L25-I276 HydrophobicContact CD2-CB 3.86Å; L25-I276 HydrophobicContact CD2-CD1 4.05Å; L25-I276 HydrophobicContact CD2-CG1 3.77Å; N26-I276 PolarHBondContact N-O 2.94Å; L256-I276 HydrophobicContact CD1-CG2 3.9Å; A257-I276 CarbonylContact O-C 3.55Å; A257-I276 WeakPolarHBondContact O-CA 3.12Å; L258-I276 HydrophobicContact CD2-CB 4.41Å; L258-I276 HydrophobicContact CD2-CD1 4.33Å; L258-I276 HydrophobicContact CD2-CG1 3.84Å; L258-I276 HydrophobicContact CD2-CG2 4.16Å
277M97.2Very high89.6Confident35 Ų3578 Ų7817%0.17243%0.426CS..EExtended strand (participates in β ladder)trans-133114.8170.7179.8-176.9-6300108.7S21 N26 L256 A257 K279S21-M277 WeakPolarHBondContact OG-CE 3.25Å; N26-M277 HydrophobicContact CB-CB 4.43Å; N26-M277 HydrophobicContact CB-CG 4.3Å; N26-M277 CarbonylContact O-C 3.49Å; N26-M277 VanDerWaalsContact O-CA 3.31Å; N26-M277 WeakPolarHBondContact O-CA 3.37Å; L256-M277 CarbonylContact C-O 3.49Å; L256-M277 WeakPolarHBondContact CA-O 3.45Å; A257-M277 HydrophobicContact CB-CB 4.29Å; A257-M277 PolarHBondContact N-O 2.81Å; A257-M277 PolarHBondContact O-N 3.12Å; M277-K279 HydrophobicContact CG-CG 4.2Å; M277-K279 HydrophobicContact SD-CD 4.22Å; M277-K279 WeakPolarHBondContact SD-CE 3.3Å; M277-K279 HydrophobicContact SD-CG 4.49Å
278F97.3Very high89.9Confident45 Ų4575.6 Ų75.620%0.19742%0.415CS..EExtended strand (participates in β ladder)trans-107.5130.4170-179.3-102.1000109.3N26 F27 E28 F29 L250 L256 F280N26-F278 PolarHBondContact O-N 3.2Å; F27-F278 CarbonylContact C-O 3.57Å; F27-F278 WeakPolarHBondContact CA-O 3.38Å; F27-F278 HydrophobicContact CD1-CB 3.63Å; F27-F278 HydrophobicContact CD1-CD1 4.07Å; F27-F278 HydrophobicContact CD1-CG 4.22Å; F27-F278 HydrophobicContact CE1-CB 3.9Å; E28-F278 PolarHBondContact N-O 2.93Å; F29-F278 HydrophobicContact CE1-CE1 4.01Å; F29-F278 HydrophobicContact CZ-CD1 4.41Å; F29-F278 HydrophobicContact CZ-CE1 4.16Å; L250-F278 HydrophobicContact CD1-CE2 4.09Å; L256-F278 HydrophobicContact CD1-CB 4.47Å; L256-F278 HydrophobicContact CD1-CD2 4.48Å; F278-F280 HydrophobicContact CE1-CB 3.68Å; F278-F280 HydrophobicContact CZ-CB 4Å; F278-F280 HydrophobicContact CZ-CD2 4.45Å
279K96.5Very high90.1Very high72 Ų7267.6 Ų67.631%0.31338%0.381SS..EExtended strand (participates in β ladder)trans-125.9127.2174.2-65.1-174.1167.1-107.30108.5E28 A254 C255 M277E28-K279 HydrophobicContact CB-CG 4.23Å; E28-K279 CarbonylContact O-C 3.51Å; E28-K279 WeakPolarHBondContact O-CA 3.48Å; E28-K279 IonicContact OE1-NZ 3.57Å; E28-K279 PolarHBondContact OE1-NZ 3.37Å; E28-K279 IonicContact OE2-NZ 3.15Å; E28-K279 PolarHBondContact OE2-NZ 3.04Å; A254-K279 CarbonylContact C-O 3.56Å; A254-K279 WeakPolarHBondContact CA-O 3.46Å; C255-K279 PolarHBondContact N-O 3.31Å; C255-K279 PolarHBondContact O-N 2.84Å; M277-K279 HydrophobicContact CG-CG 4.2Å; M277-K279 HydrophobicContact SD-CD 4.22Å; M277-K279 WeakPolarHBondContact SD-CE 3.3Å; M277-K279 HydrophobicContact SD-CG 4.49Å
280F96.8Very high90.7Very high94 Ų9462.2 Ų62.241%0.41235%0.354SS..EExtended strand (participates in β ladder)trans-121.7139.1173.6-178.4-92.8000110.5E28 F29 K30 D253 A254 F278E28-F280 PolarHBondContact O-N 3.28Å; F29-F280 CarbonylContact C-O 3.53Å; F29-F280 WeakPolarHBondContact CA-O 3.36Å; F29-F280 HydrophobicContact CD1-CB 3.73Å; F29-F280 HydrophobicContact CD1-CD1 4.01Å; F29-F280 HydrophobicContact CD1-CG 4.18Å; F29-F280 HydrophobicContact CE1-CB 4.03Å; F29-F280 HydrophobicContact CE1-CG 4.49Å; K30-F280 PolarHBondContact N-O 3.36Å; D253-F280 HydrophobicContact CB-CE2 4.5Å; D253-F280 CarbonylContact O-C 3.57Å; D253-F280 WeakPolarHBondContact O-CA 3.35Å; A254-F280 HydrophobicContact CB-CD2 4.05Å; F278-F280 HydrophobicContact CE1-CB 3.68Å; F278-F280 HydrophobicContact CZ-CB 4Å; F278-F280 HydrophobicContact CZ-CD2 4.45Å
281G90.7Very high91.7Very high22 Ų2264.3 Ų64.323%0.22735%0.352CS..  trans104.8171172.200000115.3K30 D253K30-G281 VanDerWaalsContact O-CA 3.23Å; K30-G281 WeakPolarHBondContact O-CA 3.43Å; D253-G281 PolarHBondContact O-N 3.23Å
282S66.6Low92.6Very high97 Ų9763.5 Ų63.568%0.67832%0.315SS*.  trans-950-174.361.20000113.1K30K30-S282 PolarHBondContact NZ-O 2.93Å; K30-S282 PolarHBondContact NZ-OXT 3.32Å

Retrieved 282 of 282 residues in 57.6 ms (Link to these results)

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