A0A087XAR0_POEFO Loading...

Cilia- and flagella-associated protein 52

Microtubule inner protein (MIP) part of the dynein-decorated doublet microtubules (DMTs) in cilia axoneme. Important for proper ciliary and flagellar beating. May act in cooperation with CFAP45 and axonemal dynein subunit DNAH11. May play a role in cell growth and/or survival.

AlphaFold DB , UniProt , Accession A0A087XAR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 611 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
1A35.9Very low67.2Low152 Ų152102.5 Ų102.5100%1.25661%0.613SS**  0123.7000000107.6G3A1-G3 PolarHBondContact O-N 2.91Å; A1-G3 VanDerWaalsContact O-N 3.11Å
2M32.4Very low69Low198 Ų198100 Ų10098%0.97559%0.594SS**  trans-55.5116.3179.4-71176.3-171.400109S4M2-S4 PolarHBondContact O-N 3.44Å; M2-S4 VanDerWaalsContact O-N 3.16Å
3G38Very low70.5Confident70 Ų7093.5 Ų93.572%0.72256%0.558SS**  trans-59.8118172.700000108.2A1 K5A1-G3 PolarHBondContact O-N 2.91Å; A1-G3 VanDerWaalsContact O-N 3.11Å; G3-K5 PolarHBondContact O-N 3.13Å
4S49Very low72.1Confident83 Ų8388.1 Ų88.158%0.5853%0.525SS*.  trans-59109.7171.950.60000107.4M2 T6M2-S4 PolarHBondContact O-N 3.44Å; M2-S4 VanDerWaalsContact O-N 3.16Å; S4-T6 PolarHBondContact O-N 2.65Å
5K59.8Low73.4Confident198 Ų19882.5 Ų82.586%0.86149%0.491SS*.  trans-58.8107.4170.2-86.9-179.3171.1179.80107.4G3G3-K5 PolarHBondContact O-N 3.13Å
6T75.1Confident74.4Confident68 Ų6877.5 Ų77.542%0.41746%0.462SS..PPolyproline II helixtrans-67133168.144.50000108.1S4 I569 I572S4-T6 PolarHBondContact O-N 2.65Å; T6-I569 HydrophobicContact CG2-CB 4.34Å; T6-I569 HydrophobicContact CG2-CG2 4.09Å; T6-I572 HydrophobicContact CG2-CD1 3.91Å; T6-I572 HydrophobicContact CG2-CG1 4.36Å
7I87.1Confident75.3Confident90 Ų9073.2 Ų73.246%0.46244%0.436SS..EExtended strand (participates in β ladder)trans-95.2135-174.5-57.7171.3000108.5T570 H571 I572I7-T570 PolarHBondContact N-O 3.31Å; I7-T570 VanDerWaalsContact N-O 3.13Å; I7-H571 CarbonylContact O-C 3.55Å; I7-H571 WeakPolarHBondContact O-CA 3.44Å; I7-H571 WeakPolarHBondContact O-CB 3.37Å; I7-I572 PolarHBondContact O-N 3.24Å
8P89.2Confident76.1Confident100 Ų10070.3 Ų70.365%0.64942%0.418SS*.EExtended strand (participates in β ladder)trans-66.7139176.227.2-33.8000111.2I572P8-I572 CarbonylContact C-O 3.54Å; P8-I572 WeakPolarHBondContact CA-O 3.46Å
9L90.6Very high76.9Confident13 Ų1366.7 Ų66.77%0.06840%0.397CS..PPolyproline II helixtrans-73.8142.7170.5-72.2172.3000111.3M559 V561 H571 I572 L592 W604 P607L9-M559 HydrophobicContact CD1-CE 3.54Å; L9-V561 HydrophobicContact CD1-CG2 3.99Å; L9-V561 HydrophobicContact CD2-CG2 4.06Å; L9-H571 HydrophobicContact CD2-CB 3.5Å; L9-H571 HydrophobicContact CG-CB 3.75Å; L9-I572 PolarHBondContact N-O 2.86Å; L9-L592 HydrophobicContact CD1-CD1 4.06Å; L9-L592 HydrophobicContact CD2-CD1 4.26Å; L9-W604 HydrophobicContact CB-CE3 3.98Å; L9-P607 HydrophobicContact CD2-CG 3.93Å
10E90.9Very high77.7Confident114 Ų11468.4 Ų68.453%0.53340%0.4SS..PPolyproline II helixtrans-82.4121.5174.2-168.4-174.9159.500110.2W604 K605E10-W604 WeakPolarHBondContact O-CA 3.17Å; E10-K605 HydrophobicContact CB-CB 4.42Å; E10-K605 HydrophobicContact CG-CD 4.37Å; E10-K605 PolarHBondContact O-N 3.29Å; E10-K605 IonicContact OE1-NZ 3.73Å; E10-K605 PolarHBondContact OE1-NZ 2.93Å; E10-K605 IonicContact OE2-NZ 3.51Å
11L90.8Very high78.5Confident42 Ų4265.5 Ų65.522%0.2238%0.384CS..EExtended strand (participates in β ladder)trans-76126.2172.7-176.467.2000109.6F54 W602 L603 W604L11-F54 HydrophobicContact CD2-CE2 3.7Å; L11-F54 HydrophobicContact CD2-CZ 3.65Å; L11-W602 HydrophobicContact CD1-CB 4.38Å; L11-W602 HydrophobicContact CD1-CE3 3.77Å; L11-W602 HydrophobicContact CD2-CE3 4.16Å; L11-W602 HydrophobicContact CD2-CZ3 4.11Å; L11-L603 WeakPolarHBondContact CD1-O 3.08Å; L11-W604 HydrophobicContact CB-CE3 3.89Å; L11-W604 HydrophobicContact CB-CH2 4.45Å; L11-W604 HydrophobicContact CB-CZ3 3.7Å; L11-W604 HydrophobicContact CD1-CD2 3.98Å; L11-W604 HydrophobicContact CD1-CE3 3.82Å; L11-W604 HydrophobicContact CD1-CH2 3.78Å; L11-W604 HydrophobicContact CD1-CZ2 3.99Å; L11-W604 HydrophobicContact CD1-CZ3 3.73Å; L11-W604 HydrophobicContact CG-CE3 4.5Å; L11-W604 HydrophobicContact CG-CZ3 4.26Å
12D88.7Confident81.3Confident72 Ų7261.5 Ų61.539%0.38535%0.345SS..EExtended strand (participates in β ladder)trans-93.4-46.5177.5-162.541.4000111.1L603 K605D12-L603 WeakPolarHBondContact CA-O 3.45Å; D12-L603 HydrophobicContact CB-CB 4.48Å; D12-L603 WeakPolarHBondContact CB-O 3.34Å; D12-L603 PolarHBondContact N-O 3.07Å; D12-K605 HydrophobicContact CB-CG 4.08Å; D12-K605 WeakPolarHBondContact OD1-CE 3.39Å; D12-K605 IonicContact OD1-NZ 3.44Å
13A89.4Confident84.3Confident15 Ų1553.8 Ų53.812%0.12431%0.306CS..EExtended strand (participates in β ladder)trans-158.7157.7178.700000113P355 L603A13-P355 HydrophobicContact CB-CG 4.03Å; A13-L603 HydrophobicContact CB-CB 4.26Å; A13-L603 HydrophobicContact CB-CD1 4.13Å; A13-L603 PolarHBondContact N-O 3.14Å; A13-L603 VanDerWaalsContact N-O 3.14Å; A13-L603 PolarHBondContact O-N 3.48Å
14L92Very high87.1Confident19 Ų1950.5 Ų50.510%0.09927%0.272CS..EExtended strand (participates in β ladder)trans-123.9132.3171.417660.5000109.7L38 V43 L52 F54 W602L14-L38 HydrophobicContact CD1-CD2 3.86Å; L14-L38 HydrophobicContact CD2-CD2 3.83Å; L14-L38 HydrophobicContact CG-CD2 4.18Å; L14-V43 HydrophobicContact CD2-CG1 4.5Å; L14-V43 HydrophobicContact CD2-CG2 4.25Å; L14-L52 HydrophobicContact CB-CD1 3.38Å; L14-L52 HydrophobicContact CD2-CD1 4.2Å; L14-L52 HydrophobicContact CG-CD1 4.41Å; L14-F54 HydrophobicContact CD2-CE1 3.81Å; L14-F54 HydrophobicContact CD2-CZ 4.21Å; L14-W602 HydrophobicContact CD1-CD2 3.57Å; L14-W602 VanDerWaalsContact CD1-CE2 3.5Å; L14-W602 HydrophobicContact CD1-CE3 3.98Å; L14-W602 HydrophobicContact CD1-CG 3.95Å; L14-W602 HydrophobicContact CD1-CH2 4.21Å; L14-W602 HydrophobicContact CD1-CZ2 3.83Å; L14-W602 HydrophobicContact CD1-CZ3 4.29Å; L14-W602 HydrophobicContact CD2-CH2 4.12Å; L14-W602 HydrophobicContact CD2-CZ2 4.34Å; L14-W602 HydrophobicContact CD2-CZ3 4.35Å
15I91.5Very high89.4Confident4 Ų446.6 Ų46.62%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-114.5112.4170.7-47-176.9000107.2T320 F339 W350 P355 I601I15-T320 WeakPolarHBondContact CG2-O 3.25Å; I15-F339 HydrophobicContact CD1-CZ 3.95Å; I15-W350 HydrophobicContact CD1-CD2 4.07Å; I15-W350 HydrophobicContact CD1-CE3 3.81Å; I15-W350 HydrophobicContact CD1-CG 4.45Å; I15-W350 HydrophobicContact CD1-CZ3 4.3Å; I15-W350 HydrophobicContact CG2-CE3 4.16Å; I15-W350 HydrophobicContact CG2-CH2 3.67Å; I15-W350 HydrophobicContact CG2-CZ2 4.29Å; I15-W350 HydrophobicContact CG2-CZ3 3.6Å; I15-P355 HydrophobicContact CD1-CB 3.47Å; I15-P355 VanDerWaalsContact CD1-CB 3.47Å; I15-P355 HydrophobicContact CG1-CB 3.61Å; I15-I601 HydrophobicContact CB-CB 4.17Å; I15-I601 HydrophobicContact CB-CD1 4.46Å; I15-I601 PolarHBondContact N-O 2.66Å; I15-I601 PolarHBondContact O-N 3.3Å
16G89.3Confident91.2Very high2 Ų239.1 Ų39.12%0.02121%0.212CC..  trans164.6142.8179.600000112.8
17F90.6Very high92.2Very high5 Ų537 Ų372%0.02220%0.198CC..  trans-150.9123.1171.8166.2-112.5000107G19 L25 Y36 A303F17-G19 VanDerWaalsContact CE1-CA 3.42Å; F17-G19 PolarHBondContact O-N 2.88Å; F17-G19 VanDerWaalsContact O-N 3.07Å; F17-L25 HydrophobicContact CE2-CB 4.18Å; F17-L25 HydrophobicContact CE2-CD1 4.38Å; F17-L25 HydrophobicContact CZ-CB 4.3Å; F17-Y36 AromaticContact CD2-CD2 3.8Å; F17-Y36 HydrophobicContact CD2-CD2 3.8Å; F17-Y36 HydrophobicContact CD2-CE2 4.45Å; F17-Y36 AromaticContact CD2-CG 3.82Å; F17-Y36 HydrophobicContact CD2-CG 3.82Å; F17-Y36 HydrophobicContact CE2-CG 4.23Å; F17-A303 WeakPolarHBondContact O-CA 3.28Å; F17-A303 WeakPolarHBondContact O-CB 3.43Å
18N90.1Very high92.7Very high21 Ų2133 Ų3311%0.11218%0.177CC..  trans-82.790.6176.4-171.3-5.5000110.4Q20 P37 L38N18-Q20 PolarHBondContact O-N 3.06Å; N18-Q20 WeakPolarHBondContact OD1-CB 3.48Å; N18-Q20 PolarHBondContact OD1-N 3.26Å; N18-Q20 VanDerWaalsContact OD1-N 3.16Å; N18-P37 VanDerWaalsContact CB-O 3.32Å; N18-P37 WeakPolarHBondContact CB-O 3.49Å; N18-P37 PolarHBondContact N-O 2.86Å; N18-L38 HydrophobicContact CB-CD1 4.45Å
19G90.5Very high93Very high1 Ų131.1 Ų31.11%0.0117%0.165CC..THydrogen-bonded Turntrans-68-11.8179.600000115.5F17 T285 T300F17-G19 VanDerWaalsContact CE1-CA 3.42Å; F17-G19 PolarHBondContact O-N 2.88Å; F17-G19 VanDerWaalsContact O-N 3.07Å; G19-T285 VanDerWaalsContact O-CB 3.3Å; G19-T285 WeakPolarHBondContact O-CB 3.45Å; G19-T285 VanDerWaalsContact O-CG2 3.23Å; G19-T285 WeakPolarHBondContact O-CG2 3.26Å; G19-T285 PolarHBondContact O-OG1 2.81Å; G19-T300 WeakPolarHBondContact CA-O 3.19Å
20Q92.9Very high93.2Very high101 Ų10133 Ų3347%0.47218%0.175SC..THydrogen-bonded Turntrans-82.7-16-175.7-60.8-179.6-7.300113.3N18 P22 R323N18-Q20 PolarHBondContact O-N 3.06Å; N18-Q20 WeakPolarHBondContact OD1-CB 3.48Å; N18-Q20 PolarHBondContact OD1-N 3.26Å; N18-Q20 VanDerWaalsContact OD1-N 3.16Å; Q20-P22 VanDerWaalsContact O-CD 3.27Å; Q20-P22 WeakPolarHBondContact O-CD 3.06Å; Q20-R323 PolarHBondContact NE2-O 3.27Å
21V95.5Very high93.3Very high8 Ų830.2 Ų30.25%0.04816%0.162CC..SBendtrans-76.4115.1177.71800000109.2F23 G24 P37 V62 S63V21-F23 PolarHBondContact O-N 2.94Å; V21-G24 PolarHBondContact O-N 3.27Å; V21-P37 HydrophobicContact CB-CG 3.74Å; V21-P37 HydrophobicContact CG1-CG 3.89Å; V21-P37 HydrophobicContact CG2-CB 4.37Å; V21-P37 HydrophobicContact CG2-CG 3.66Å; V21-V62 VanDerWaalsContact CG2-O 3.28Å; V21-V62 WeakPolarHBondContact CG2-O 3.38Å; V21-S63 WeakPolarHBondContact CG1-O 3.42Å
22P94.2Very high93.5Very high67 Ų6734.4 Ų34.444%0.43518%0.179SC..THydrogen-bonded Turntrans-59.2132.3179-21.633.9000110.4Q20 G24Q20-P22 VanDerWaalsContact O-CD 3.27Å; Q20-P22 WeakPolarHBondContact O-CD 3.06Å; P22-G24 PolarHBondContact O-N 3.15Å; P22-G24 VanDerWaalsContact O-N 3.07Å
23F95.2Very high93.9Very high37 Ų3731.7 Ų31.716%0.16216%0.164CC..THydrogen-bonded Turntrans5624-177.3-38.2-66000113.8V21 L25 K26 V156 C201 N245 V246 T285V21-F23 PolarHBondContact O-N 2.94Å; F23-L25 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 2.85Å; F23-K26 VanDerWaalsContact O-CE 3.22Å; F23-K26 WeakPolarHBondContact O-CE 3.38Å; F23-V156 HydrophobicContact CE2-CG2 4.36Å; F23-C201 HydrophobicContact CE1-CB 3.93Å; F23-C201 VanDerWaalsContact CE1-SG 3.5Å; F23-C201 HydrophobicContact CZ-CB 3.65Å; F23-N245 WeakPolarHBondContact CE1-O 3.44Å; F23-V246 HydrophobicContact CD1-CB 4.26Å; F23-V246 HydrophobicContact CD1-CG2 3.89Å; F23-V246 HydrophobicContact CE1-CB 3.88Å; F23-V246 HydrophobicContact CE1-CG2 3.85Å; F23-T285 PolarHBondContact N-O 2.91Å
24G95.8Very high94.3Very high0 Ų031.3 Ų31.30%016%0.16CC..  trans-66.7-29.6-173.100000114.6V21 P22 Y36 P37 I65V21-G24 PolarHBondContact O-N 3.27Å; P22-G24 PolarHBondContact O-N 3.15Å; P22-G24 VanDerWaalsContact O-N 3.07Å; G24-Y36 WeakPolarHBondContact O-CA 3.27Å; G24-P37 WeakPolarHBondContact O-CD 3.49Å; G24-I65 WeakPolarHBondContact O-CG2 3.48Å
25L97.7Very high94.5Very high1 Ų130.4 Ų30.41%0.00516%0.155CC..  trans-84.3125.5175-17669.5000110.7F17 F23 L34 Y36 S286 A288 L305F17-L25 HydrophobicContact CE2-CB 4.18Å; F17-L25 HydrophobicContact CE2-CD1 4.38Å; F17-L25 HydrophobicContact CZ-CB 4.3Å; F23-L25 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 2.85Å; L25-L34 HydrophobicContact CD1-CD2 4.42Å; L25-Y36 HydrophobicContact CD1-CD1 4.13Å; L25-S286 VanDerWaalsContact CB-OG 3.22Å; L25-S286 WeakPolarHBondContact CB-OG 3.02Å; L25-A288 HydrophobicContact CD2-CB 4.13Å; L25-A288 HydrophobicContact CG-CB 3.95Å; L25-L305 HydrophobicContact CD1-CD1 3.88Å; L25-L305 HydrophobicContact CD2-CD1 3.34Å; L25-L305 HydrophobicContact CG-CD1 4.25Å
26K97.4Very high94.8Very high41 Ų4130.6 Ų30.618%0.17816%0.155CC..EExtended strand (participates in β ladder)trans-127.9148.2174-59.1-68-174.5179.40110.3F23 I35 I65 V67F23-K26 VanDerWaalsContact O-CE 3.22Å; F23-K26 WeakPolarHBondContact O-CE 3.38Å; K26-I35 HydrophobicContact CB-CB 4.28Å; K26-I35 PolarHBondContact N-O 3.41Å; K26-I35 PolarHBondContact O-N 3.24Å; K26-I65 VanDerWaalsContact CE-O 3.28Å; K26-I65 WeakPolarHBondContact CE-O 3.28Å; K26-I65 HydrophobicContact CG-CG2 4.17Å; K26-V67 HydrophobicContact CB-CG2 3.8Å; K26-V67 HydrophobicContact CG-CG2 4.07Å
27L97.2Very high95.1Very high24 Ų2430.5 Ų30.513%0.12615%0.154CC..EExtended strand (participates in β ladder)trans-100.4127.5167.8-179.362000107M31 L34 I47 A288 Y297L27-M31 HydrophobicContact CD2-CE 3.53Å; L27-M31 HydrophobicContact CD2-SD 3.9Å; L27-M31 HydrophobicContact CG-CE 4.36Å; L27-M31 HydrophobicContact CG-SD 4.24Å; L27-L34 HydrophobicContact CD1-CD2 3.85Å; L27-I47 HydrophobicContact CD1-CD1 3.68Å; L27-A288 HydrophobicContact CB-CB 4.09Å; L27-Y297 HydrophobicContact CD1-CE2 4.4Å
28H97.4Very high95.3Very high7 Ų730.3 Ų30.33%0.03215%0.154CC..  trans-71.6144.1177.3-173.5-90000110.2D30 M31 H33 I35 G71 Y93H28-D30 IonicContact CE1-OD2 2.67Å; H28-D30 IonicContact CG-OD1 3.11Å; H28-D30 VanDerWaalsContact ND1-CB 3.28Å; H28-D30 WeakPolarHBondContact ND1-CB 3.29Å; H28-D30 PolarHBondContact ND1-N 3.41Å; H28-D30 IonicContact ND1-OD1 3.81Å; H28-D30 PolarHBondContact ND1-OD1 3.38Å; H28-D30 IonicContact ND1-OD2 2.79Å; H28-D30 PolarHBondContact ND1-OD2 3.27Å; H28-D30 PolarHBondContact O-N 3.11Å; H28-M31 PolarHBondContact O-N 2.74Å; H28-H33 HydrophobicContact CB-CB 4.04Å; H28-H33 WeakPolarHBondContact CB-O 3.31Å; H28-H33 PolarHBondContact N-O 3.48Å; H28-I35 HydrophobicContact CB-CD1 3.8Å; H28-I35 HydrophobicContact CB-CG1 4.33Å; H28-G71 VanDerWaalsContact NE2-CA 3.31Å; H28-G71 WeakPolarHBondContact NE2-CA 3.35Å; H28-G71 PolarHBondContact NE2-O 3.49Å; H28-Y93 AromaticContact CD2-CD2 3.98Å; H28-Y93 AromaticContact CD2-CE1 3.95Å; H28-Y93 AromaticContact CD2-CE2 3.74Å; H28-Y93 AromaticContact CD2-CZ 3.69Å; H28-Y93 AromaticContact CE1-CD1 3.69Å; H28-Y93 AromaticContact CE1-CE1 3.24Å; H28-Y93 WeakPolarHBondContact CE1-CE1 3.4Å; H28-Y93 AromaticContact CE1-CZ 3.61Å; H28-Y93 AromaticContact CG-CZ 3.88Å; H28-Y93 AromaticContact ND1-CE1 3.88Å; H28-Y93 AromaticContact ND1-CZ 3.81Å; H28-Y93 AromaticContact NE2-CD1 3.32Å; H28-Y93 VanDerWaalsContact NE2-CD1 3.32Å; H28-Y93 WeakPolarHBondContact NE2-CD1 3.27Å; H28-Y93 AromaticContact NE2-CD2 3.92Å; H28-Y93 AromaticContact NE2-CE1 3.27Å; H28-Y93 VanDerWaalsContact NE2-CE1 3.27Å; H28-Y93 WeakPolarHBondContact NE2-CE1 3.28Å; H28-Y93 AromaticContact NE2-CE2 3.87Å; H28-Y93 AromaticContact NE2-CG 3.63Å; H28-Y93 AromaticContact NE2-CZ 3.53Å
29P95.4Very high95.5Very high59 Ų5929.3 Ų29.338%0.38315%0.148SC..THydrogen-bonded Turntrans-58.1-18.6179.2-29.137.3000115.6M31 K69P29-M31 PolarHBondContact O-N 3.03Å; P29-K69 WeakPolarHBondContact CG-O 3.39Å
30D94.4Very high95.6Very high52 Ų5229.3 Ų29.328%0.27815%0.148SC..THydrogen-bonded Turntrans-71.4-7.1172.975.8-4.3000114H28 K32 H33 Y93H28-D30 IonicContact CE1-OD2 2.67Å; H28-D30 IonicContact CG-OD1 3.11Å; H28-D30 VanDerWaalsContact ND1-CB 3.28Å; H28-D30 WeakPolarHBondContact ND1-CB 3.29Å; H28-D30 PolarHBondContact ND1-N 3.41Å; H28-D30 IonicContact ND1-OD1 3.81Å; H28-D30 PolarHBondContact ND1-OD1 3.38Å; H28-D30 IonicContact ND1-OD2 2.79Å; H28-D30 PolarHBondContact ND1-OD2 3.27Å; H28-D30 PolarHBondContact O-N 3.11Å; D30-K32 WeakPolarHBondContact O-CG 3.26Å; D30-K32 PolarHBondContact O-N 2.92Å; D30-K32 PolarHBondContact OD1-N 3.09Å; D30-H33 PolarHBondContact OD1-N 2.88Å; D30-H33 IonicContact OD1-ND1 2.99Å; D30-H33 IonicContact OD2-CE1 2.65Å; D30-H33 IonicContact OD2-ND1 3.89Å; D30-H33 PolarHBondContact OD2-ND1 3.04Å; D30-Y93 PolarHBondContact OD2-OH 2.81Å
31M94.4Very high95.7Very high56 Ų5624.7 Ų24.728%0.27613%0.127SC..SBendtrans61.910.1-179.5-55.9-53.5-62.900115L27 H28 P29 S290 E293L27-M31 HydrophobicContact CD2-CE 3.53Å; L27-M31 HydrophobicContact CD2-SD 3.9Å; L27-M31 HydrophobicContact CG-CE 4.36Å; L27-M31 HydrophobicContact CG-SD 4.24Å; H28-M31 PolarHBondContact O-N 2.74Å; P29-M31 PolarHBondContact O-N 3.03Å; M31-S290 WeakPolarHBondContact SD-CB 3.45Å; M31-S290 PolarHBondContact SD-OG 3.39Å; M31-E293 HydrophobicContact CE-CG 3.32Å
32K94.5Very high95.8Very high131 Ų13124.3 Ų24.357%0.5713%0.125SC*.SBendtrans-108.8-22.4-175.4-70.2171.5-175.7-178.30112.4D30 R46 I47D30-K32 WeakPolarHBondContact O-CG 3.26Å; D30-K32 PolarHBondContact O-N 2.92Å; D30-K32 PolarHBondContact OD1-N 3.09Å; K32-R46 CarbonylContact O-C 3.53Å; K32-R46 WeakPolarHBondContact O-CA 3.26Å; K32-I47 PolarHBondContact O-N 3.41Å
33H96.7Very high95.9Very high15 Ų1521.1 Ų21.17%0.06910%0.104CC..EExtended strand (participates in β ladder)trans-122.7130.7-174.1-61.585.1000113.2H28 D30 K45 Y93H28-H33 HydrophobicContact CB-CB 4.04Å; H28-H33 WeakPolarHBondContact CB-O 3.31Å; H28-H33 PolarHBondContact N-O 3.48Å; D30-H33 PolarHBondContact OD1-N 2.88Å; D30-H33 IonicContact OD1-ND1 2.99Å; D30-H33 IonicContact OD2-CE1 2.65Å; D30-H33 IonicContact OD2-ND1 3.89Å; D30-H33 PolarHBondContact OD2-ND1 3.04Å; H33-K45 WeakPolarHBondContact CA-O 3.32Å; H33-Y93 PolarHBondContact CE1-OH 2.92Å; H33-Y93 VanDerWaalsContact CG-OH 3.32Å; H33-Y93 PolarHBondContact ND1-OH 2.85Å
34L96.9Very high96Very high6 Ų619.4 Ų19.43%0.03110%0.096CC..EExtended strand (participates in β ladder)trans-88.9135.8160.1-68.3174.3000109.1L25 L27 K45 I47 Y297 L305L25-L34 HydrophobicContact CD1-CD2 4.42Å; L27-L34 HydrophobicContact CD1-CD2 3.85Å; L34-K45 HydrophobicContact CB-CB 4.5Å; L34-K45 PolarHBondContact N-O 3.06Å; L34-K45 PolarHBondContact O-N 2.84Å; L34-I47 HydrophobicContact CD1-CG1 4.27Å; L34-I47 HydrophobicContact CD2-CD1 4.37Å; L34-I47 HydrophobicContact CG-CD1 4.02Å; L34-I47 HydrophobicContact CG-CG1 3.85Å; L34-Y297 HydrophobicContact CD1-CD1 3.92Å; L34-Y297 HydrophobicContact CD1-CE1 4.01Å; L34-Y297 HydrophobicContact CD1-CG 4.25Å; L34-Y297 HydrophobicContact CD2-CD1 4.32Å; L34-Y297 HydrophobicContact CD2-CD2 3.68Å; L34-Y297 HydrophobicContact CD2-CE2 4.06Å; L34-Y297 HydrophobicContact CD2-CG 3.82Å; L34-L305 HydrophobicContact CD1-CD2 4.09Å
35I97.9Very high96Very high0 Ų021.2 Ų21.20%010%0.104CC..EExtended strand (participates in β ladder)trans-120.3125.6-176.3-54.3179.6000107.7K26 H28 I42 V43 L44 I65 V67 I74K26-I35 HydrophobicContact CB-CB 4.28Å; K26-I35 PolarHBondContact N-O 3.41Å; K26-I35 PolarHBondContact O-N 3.24Å; H28-I35 HydrophobicContact CB-CD1 3.8Å; H28-I35 HydrophobicContact CB-CG1 4.33Å; I35-I42 HydrophobicContact CG2-CG2 3.49Å; I35-I42 VanDerWaalsContact CG2-CG2 3.49Å; I35-V43 WeakPolarHBondContact CA-O 3.29Å; I35-L44 HydrophobicContact CB-CD2 4.25Å; I35-L44 HydrophobicContact CD1-CD2 3.99Å; I35-L44 HydrophobicContact CG1-CD2 3.66Å; I35-L44 HydrophobicContact CG2-CD2 3.88Å; I35-I65 HydrophobicContact CG2-CD1 3.51Å; I35-V67 HydrophobicContact CD1-CG2 3.85Å; I35-I74 HydrophobicContact CD1-CD1 3.74Å; I35-I74 HydrophobicContact CD1-CG1 4.34Å
36Y97.1Very high95.8Very high8 Ų825 Ų253%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-153.9150.8176.755.1-92.5000112.5F17 G24 L25 V43 K45F17-Y36 AromaticContact CD2-CD2 3.8Å; F17-Y36 HydrophobicContact CD2-CD2 3.8Å; F17-Y36 HydrophobicContact CD2-CE2 4.45Å; F17-Y36 AromaticContact CD2-CG 3.82Å; F17-Y36 HydrophobicContact CD2-CG 3.82Å; F17-Y36 HydrophobicContact CE2-CG 4.23Å; G24-Y36 WeakPolarHBondContact O-CA 3.27Å; L25-Y36 HydrophobicContact CD1-CD1 4.13Å; Y36-V43 HydrophobicContact CD2-CB 3.98Å; Y36-V43 HydrophobicContact CD2-CG2 4.26Å; Y36-V43 HydrophobicContact CE1-CB 4.41Å; Y36-V43 HydrophobicContact CE1-CG1 4.27Å; Y36-V43 HydrophobicContact CE2-CB 3.64Å; Y36-V43 HydrophobicContact CE2-CG1 3.91Å; Y36-V43 HydrophobicContact CE2-CG2 3.87Å; Y36-V43 PolarHBondContact N-O 3.16Å; Y36-V43 VanDerWaalsContact N-O 3.07Å; Y36-V43 PolarHBondContact O-N 3.06Å; Y36-K45 HydrophobicContact CE1-CB 3.95Å; Y36-K45 HydrophobicContact CE1-CD 4.34Å
37P95.9Very high95.6Very high0 Ų025.6 Ų25.60%012%0.123CC..EExtended strand (participates in β ladder)trans-77.6148174.930.9-33.7000112.2N18 V21 G24 F41 V62N18-P37 VanDerWaalsContact CB-O 3.32Å; N18-P37 WeakPolarHBondContact CB-O 3.49Å; N18-P37 PolarHBondContact N-O 2.86Å; V21-P37 HydrophobicContact CB-CG 3.74Å; V21-P37 HydrophobicContact CG1-CG 3.89Å; V21-P37 HydrophobicContact CG2-CB 4.37Å; V21-P37 HydrophobicContact CG2-CG 3.66Å; G24-P37 WeakPolarHBondContact O-CD 3.49Å; P37-F41 VanDerWaalsContact CA-O 3.29Å; P37-F41 WeakPolarHBondContact CA-O 3.23Å; P37-V62 HydrophobicContact CB-CB 3.76Å; P37-V62 HydrophobicContact CB-CG1 3.86Å; P37-V62 HydrophobicContact CB-CG2 4.5Å
38L94.5Very high95.4Very high1 Ų132.6 Ų32.61%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-144.7111.6166.5-173.866.5000107.8L14 N18 S40 F41 V43 W602L14-L38 HydrophobicContact CD1-CD2 3.86Å; L14-L38 HydrophobicContact CD2-CD2 3.83Å; L14-L38 HydrophobicContact CG-CD2 4.18Å; N18-L38 HydrophobicContact CB-CD1 4.45Å; L38-S40 PolarHBondContact O-N 2.74Å; L38-F41 PolarHBondContact N-O 2.68Å; L38-F41 WeakPolarHBondContact O-CB 3.38Å; L38-F41 PolarHBondContact O-N 2.93Å; L38-V43 HydrophobicContact CB-CG2 3.94Å; L38-W602 HydrophobicContact CD2-CZ2 4.38Å
39G93.2Very high95Very high0 Ų036.6 Ų36.60%018%0.177CC..THydrogen-bonded Turntrans57.5-128.2-171.500000111.7F41 N61 V62 D598G39-F41 VanDerWaalsContact C-N 3.31Å; G39-N61 WeakPolarHBondContact O-CA 3.41Å; G39-V62 PolarHBondContact O-N 2.82Å; G39-D598 WeakPolarHBondContact CA-OD2 3.37Å; G39-D598 PolarHBondContact N-OD2 2.82Å; G39-D598 VanDerWaalsContact N-OD2 3.09Å
40S94.2Very high94.7Very high2 Ų235.3 Ų35.31%0.01417%0.174CC..THydrogen-bonded Turntrans-85.97174.977.20000114.6L38 H58 N60 K557 G577L38-S40 PolarHBondContact O-N 2.74Å; S40-H58 VanDerWaalsContact CB-O 3.32Å; S40-H58 WeakPolarHBondContact CB-O 3.43Å; S40-H58 WeakPolarHBondContact O-CB 3.46Å; S40-H58 PolarHBondContact OG-O 3.48Å; S40-N60 WeakPolarHBondContact CA-O 3.44Å; S40-N60 WeakPolarHBondContact CB-O 3.41Å; S40-K557 PolarHBondContact OG-NZ 2.98Å; S40-G577 WeakPolarHBondContact CB-O 3.35Å; S40-G577 PolarHBondContact N-O 2.82Å; S40-G577 PolarHBondContact OG-O 3Å
41F94.6Very high94.5Very high4 Ų437.9 Ų37.92%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-105.8157.2178.9-71.1-15.6000113.1P37 L38 G39 F54 D56 P575 W602P37-F41 VanDerWaalsContact CA-O 3.29Å; P37-F41 WeakPolarHBondContact CA-O 3.23Å; L38-F41 PolarHBondContact N-O 2.68Å; L38-F41 WeakPolarHBondContact O-CB 3.38Å; L38-F41 PolarHBondContact O-N 2.93Å; G39-F41 VanDerWaalsContact C-N 3.31Å; F41-F54 HydrophobicContact CD2-CD1 4.16Å; F41-D56 HydrophobicContact CD1-CB 4.11Å; F41-D56 HydrophobicContact CE1-CB 3.65Å; F41-D56 VanDerWaalsContact CE1-OD1 3.26Å; F41-D56 WeakPolarHBondContact CE1-OD1 3.16Å; F41-D56 HydrophobicContact CZ-CB 4.31Å; F41-P575 HydrophobicContact CE1-CB 4.49Å; F41-P575 WeakPolarHBondContact CE2-O 3.31Å; F41-P575 HydrophobicContact CZ-CB 3.82Å; F41-P575 HydrophobicContact CZ-CG 4.34Å; F41-P575 WeakPolarHBondContact CZ-O 3.29Å; F41-W602 HydrophobicContact CD2-CH2 4.02Å; F41-W602 HydrophobicContact CD2-CZ2 4.43Å; F41-W602 HydrophobicContact CE2-CH2 4.03Å
42I96.9Very high94.4Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-106.4122.9159.7-51.7168.8000107.5I35 L44 F54 L55 I65 I74 S76 W91I35-I42 HydrophobicContact CG2-CG2 3.49Å; I35-I42 VanDerWaalsContact CG2-CG2 3.49Å; I42-L44 HydrophobicContact CG2-CD2 4.43Å; I42-F54 WeakPolarHBondContact O-CA 3.48Å; I42-L55 HydrophobicContact CB-CB 4.1Å; I42-L55 HydrophobicContact CB-CD1 4.25Å; I42-L55 HydrophobicContact CB-CG 4.45Å; I42-L55 HydrophobicContact CD1-CD1 4.21Å; I42-L55 HydrophobicContact CG2-CD1 4.32Å; I42-L55 PolarHBondContact N-O 3.41Å; I42-L55 PolarHBondContact O-N 2.87Å; I42-I65 HydrophobicContact CD1-CD1 4.09Å; I42-I65 HydrophobicContact CG1-CD1 4.24Å; I42-I65 HydrophobicContact CG2-CD1 3.58Å; I42-I74 HydrophobicContact CD1-CG2 4.24Å; I42-S76 WeakPolarHBondContact CD1-OG 3.43Å; I42-W91 HydrophobicContact CD1-CZ2 4.32Å; I42-W91 VanDerWaalsContact CD1-NE1 3.34Å
43V96.6Very high94.4Very high0 Ų033.1 Ų33.10%016%0.162CC..EExtended strand (participates in β ladder)trans-92.9127.8177.5-175.10000108.8L14 I35 Y36 L38 L52 F54L14-V43 HydrophobicContact CD2-CG1 4.5Å; L14-V43 HydrophobicContact CD2-CG2 4.25Å; I35-V43 WeakPolarHBondContact CA-O 3.29Å; Y36-V43 HydrophobicContact CD2-CB 3.98Å; Y36-V43 HydrophobicContact CD2-CG2 4.26Å; Y36-V43 HydrophobicContact CE1-CB 4.41Å; Y36-V43 HydrophobicContact CE1-CG1 4.27Å; Y36-V43 HydrophobicContact CE2-CB 3.64Å; Y36-V43 HydrophobicContact CE2-CG1 3.91Å; Y36-V43 HydrophobicContact CE2-CG2 3.87Å; Y36-V43 PolarHBondContact N-O 3.16Å; Y36-V43 VanDerWaalsContact N-O 3.07Å; Y36-V43 PolarHBondContact O-N 3.06Å; L38-V43 HydrophobicContact CB-CG2 3.94Å; V43-L52 HydrophobicContact CG1-CD2 3.85Å; V43-F54 HydrophobicContact CG1-CE1 4.2Å; V43-F54 HydrophobicContact CG2-CD1 4.13Å; V43-F54 HydrophobicContact CG2-CE1 4.09Å
44L97.1Very high94.3Very high0 Ų034.5 Ų34.50%017%0.168CC..EExtended strand (participates in β ladder)trans-104.5105.5168.9-50.4177.7000107.5I35 I42 L52 E53 L55 I74 Y93I35-L44 HydrophobicContact CB-CD2 4.25Å; I35-L44 HydrophobicContact CD1-CD2 3.99Å; I35-L44 HydrophobicContact CG1-CD2 3.66Å; I35-L44 HydrophobicContact CG2-CD2 3.88Å; I42-L44 HydrophobicContact CG2-CD2 4.43Å; L44-L52 WeakPolarHBondContact O-CA 2.94Å; L44-E53 HydrophobicContact CB-CB 4.16Å; L44-E53 HydrophobicContact CD1-CB 4.42Å; L44-E53 PolarHBondContact N-O 2.89Å; L44-E53 PolarHBondContact O-N 2.85Å; L44-L55 HydrophobicContact CD1-CD1 4.43Å; L44-L55 HydrophobicContact CD1-CD2 4.19Å; L44-L55 HydrophobicContact CD1-CG 4.2Å; L44-L55 HydrophobicContact CD2-CD1 4.37Å; L44-L55 HydrophobicContact CG-CG 4.41Å; L44-I74 HydrophobicContact CD2-CD1 4.01Å; L44-Y93 HydrophobicContact CD1-CD2 4.43Å; L44-Y93 HydrophobicContact CD1-CE2 4.15Å
45K95.6Very high94.3Very high39 Ų3934.3 Ų34.317%0.1717%0.167CC..EExtended strand (participates in β ladder)trans-102.8116179.5-178.9174.8-178.6177.40110.1H33 L34 Y36 I47 L52H33-K45 WeakPolarHBondContact CA-O 3.32Å; L34-K45 HydrophobicContact CB-CB 4.5Å; L34-K45 PolarHBondContact N-O 3.06Å; L34-K45 PolarHBondContact O-N 2.84Å; Y36-K45 HydrophobicContact CE1-CB 3.95Å; Y36-K45 HydrophobicContact CE1-CD 4.34Å; K45-I47 PolarHBondContact O-N 3.02Å; K45-L52 HydrophobicContact CB-CD2 3.82Å; K45-L52 HydrophobicContact CD-CD2 4.2Å; K45-L52 HydrophobicContact CG-CD2 3.81Å
46R95.1Very high94.1Very high79 Ų7938.3 Ų38.330%0.29819%0.189SC..EExtended strand (participates in β ladder)trans-68.9129.5172.6-171.4161.465.6177.23.8110.2K32 D49 G50 K51K32-R46 CarbonylContact O-C 3.53Å; K32-R46 WeakPolarHBondContact O-CA 3.26Å; R46-D49 IonicContact CZ-OD1 3.98Å; R46-D49 IonicContact CZ-OD2 3.98Å; R46-D49 IonicContact NE-OD1 3.13Å; R46-D49 PolarHBondContact NE-OD1 3.02Å; R46-D49 IonicContact NE-OD2 3.78Å; R46-D49 VanDerWaalsContact NH2-CG 3.34Å; R46-D49 IonicContact NH2-OD1 2.8Å; R46-D49 PolarHBondContact NH2-OD1 3.3Å; R46-D49 IonicContact NH2-OD2 3.78Å; R46-D49 PolarHBondContact NH2-OD2 3.02Å; R46-G50 WeakPolarHBondContact O-CA 3.47Å; R46-G50 PolarHBondContact O-N 3.16Å; R46-K51 HydrophobicContact CB-CB 4.29Å; R46-K51 PolarHBondContact N-O 3.02Å
47I93.2Very high93.9Very high55 Ų5539.5 Ų39.528%0.28220%0.203SC..THydrogen-bonded Turntrans-71.6-37.9-172.9-66.4168.1000111.6L27 K32 L34 K45 Y297L27-I47 HydrophobicContact CD1-CD1 3.68Å; K32-I47 PolarHBondContact O-N 3.41Å; L34-I47 HydrophobicContact CD1-CG1 4.27Å; L34-I47 HydrophobicContact CD2-CD1 4.37Å; L34-I47 HydrophobicContact CG-CD1 4.02Å; L34-I47 HydrophobicContact CG-CG1 3.85Å; K45-I47 PolarHBondContact O-N 3.02Å; I47-Y297 HydrophobicContact CD1-CE2 4.29Å; I47-Y297 WeakPolarHBondContact CG2-OH 3.44Å
48E91.3Very high93.9Very high170 Ų17039.7 Ų39.779%0.79421%0.205SC*.THydrogen-bonded Turntrans-64.5-47.4-172.6-174178.1-17700113.2
49D89.3Confident93.7Very high92 Ų9243.2 Ų43.249%0.49223%0.229SC..THydrogen-bonded Turntrans-124.9-2.3-173.871.5-19.8000114R46 K51R46-D49 IonicContact CZ-OD1 3.98Å; R46-D49 IonicContact CZ-OD2 3.98Å; R46-D49 IonicContact NE-OD1 3.13Å; R46-D49 PolarHBondContact NE-OD1 3.02Å; R46-D49 IonicContact NE-OD2 3.78Å; R46-D49 VanDerWaalsContact NH2-CG 3.34Å; R46-D49 IonicContact NH2-OD1 2.8Å; R46-D49 PolarHBondContact NH2-OD1 3.3Å; R46-D49 IonicContact NH2-OD2 3.78Å; R46-D49 PolarHBondContact NH2-OD2 3.02Å; D49-K51 VanDerWaalsContact C-N 3.29Å; D49-K51 PolarHBondContact O-N 2.54Å; D49-K51 WeakPolarHBondContact OD1-CB 3.25Å; D49-K51 PolarHBondContact OD1-N 3.47Å
50G88.5Confident93.8Very high31 Ų3144.8 Ų44.832%0.3224%0.238SC..  trans76.59.9-179.500000114.7R46R46-G50 WeakPolarHBondContact O-CA 3.47Å; R46-G50 PolarHBondContact O-N 3.16Å
51K91.8Very high93.8Very high107 Ų10747.6 Ų47.647%0.46525%0.252SS..  trans-58.9139.7178.3-171.7-177.3177.8-161.70110.8R46 D49R46-K51 HydrophobicContact CB-CB 4.29Å; R46-K51 PolarHBondContact N-O 3.02Å; D49-K51 VanDerWaalsContact C-N 3.29Å; D49-K51 PolarHBondContact O-N 2.54Å; D49-K51 WeakPolarHBondContact OD1-CB 3.25Å; D49-K51 PolarHBondContact OD1-N 3.47Å
52L92.5Very high93.9Very high36 Ų3647.6 Ų47.619%0.18825%0.253CS..EExtended strand (participates in β ladder)trans-110.4136.2-176.5-57.6170.2000111L14 V43 L44 K45 F54L14-L52 HydrophobicContact CB-CD1 3.38Å; L14-L52 HydrophobicContact CD2-CD1 4.2Å; L14-L52 HydrophobicContact CG-CD1 4.41Å; V43-L52 HydrophobicContact CG1-CD2 3.85Å; L44-L52 WeakPolarHBondContact O-CA 2.94Å; K45-L52 HydrophobicContact CB-CD2 3.82Å; K45-L52 HydrophobicContact CD-CD2 4.2Å; K45-L52 HydrophobicContact CG-CD2 3.81Å; L52-F54 HydrophobicContact CB-CE1 4.5Å; L52-F54 HydrophobicContact CB-CE2 4.25Å; L52-F54 HydrophobicContact CB-CZ 3.87Å; L52-F54 HydrophobicContact CD1-CZ 4.33Å
53E94.3Very high93.9Very high50 Ų5048 Ų4823%0.23426%0.256CS..EExtended strand (participates in β ladder)trans-127.6156.1166.8-63169.8-164.900108.3L44 R96L44-E53 HydrophobicContact CB-CB 4.16Å; L44-E53 HydrophobicContact CD1-CB 4.42Å; L44-E53 PolarHBondContact N-O 2.89Å; L44-E53 PolarHBondContact O-N 2.85Å; E53-R96 IonicContact OE2-CZ 3.24Å; E53-R96 IonicContact OE2-NE 2.64Å; E53-R96 PolarHBondContact OE2-NE 3.18Å; E53-R96 IonicContact OE2-NH2 3.62Å; E53-R96 PolarHBondContact OE2-NH2 2.8Å
54F94.4Very high94Very high44 Ų4448.3 Ų48.319%0.19326%0.258CS..EExtended strand (participates in β ladder)trans-130.4138.4-172.5-54.7-78.3000110.4L11 L14 F41 I42 V43 L52 I574 W602L11-F54 HydrophobicContact CD2-CE2 3.7Å; L11-F54 HydrophobicContact CD2-CZ 3.65Å; L14-F54 HydrophobicContact CD2-CE1 3.81Å; L14-F54 HydrophobicContact CD2-CZ 4.21Å; F41-F54 HydrophobicContact CD2-CD1 4.16Å; I42-F54 WeakPolarHBondContact O-CA 3.48Å; V43-F54 HydrophobicContact CG1-CE1 4.2Å; V43-F54 HydrophobicContact CG2-CD1 4.13Å; V43-F54 HydrophobicContact CG2-CE1 4.09Å; L52-F54 HydrophobicContact CB-CE1 4.5Å; L52-F54 HydrophobicContact CB-CE2 4.25Å; L52-F54 HydrophobicContact CB-CZ 3.87Å; L52-F54 HydrophobicContact CD1-CZ 4.33Å; F54-I574 HydrophobicContact CD2-CD1 3.67Å; F54-I574 HydrophobicContact CE2-CD1 3.64Å; F54-W602 HydrophobicContact CD1-CH2 4.28Å; F54-W602 AromaticContact CE1-CH2 3.7Å; F54-W602 HydrophobicContact CE1-CH2 3.7Å; F54-W602 AromaticContact CE1-CZ3 3.85Å; F54-W602 HydrophobicContact CE1-CZ3 3.85Å; F54-W602 HydrophobicContact CE2-CZ3 4.26Å; F54-W602 AromaticContact CZ-CH2 3.99Å; F54-W602 HydrophobicContact CZ-CH2 3.99Å; F54-W602 AromaticContact CZ-CZ3 3.62Å; F54-W602 HydrophobicContact CZ-CZ3 3.62Å
55L96.5Very high94Very high2 Ų248.7 Ų48.71%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-102.3114.5165.7-52.1175.9000108.1I42 L44 I74 W91 R96I42-L55 HydrophobicContact CB-CB 4.1Å; I42-L55 HydrophobicContact CB-CD1 4.25Å; I42-L55 HydrophobicContact CB-CG 4.45Å; I42-L55 HydrophobicContact CD1-CD1 4.21Å; I42-L55 HydrophobicContact CG2-CD1 4.32Å; I42-L55 PolarHBondContact N-O 3.41Å; I42-L55 PolarHBondContact O-N 2.87Å; L44-L55 HydrophobicContact CD1-CD1 4.43Å; L44-L55 HydrophobicContact CD1-CD2 4.19Å; L44-L55 HydrophobicContact CD1-CG 4.2Å; L44-L55 HydrophobicContact CD2-CD1 4.37Å; L44-L55 HydrophobicContact CG-CG 4.41Å; L55-I74 HydrophobicContact CD1-CD1 3.91Å; L55-W91 HydrophobicContact CB-CD2 3.97Å; L55-W91 HydrophobicContact CB-CE3 3.77Å; L55-W91 HydrophobicContact CB-CH2 4.05Å; L55-W91 HydrophobicContact CB-CZ2 4.25Å; L55-W91 HydrophobicContact CB-CZ3 3.79Å; L55-W91 HydrophobicContact CD1-CB 4.06Å; L55-W91 HydrophobicContact CD1-CD2 4Å; L55-W91 HydrophobicContact CD1-CE3 4.35Å; L55-W91 HydrophobicContact CD1-CG 3.85Å; L55-W91 HydrophobicContact CD2-CE3 4.31Å; L55-W91 HydrophobicContact CG-CD2 4.46Å; L55-W91 HydrophobicContact CG-CE3 4.37Å; L55-R96 HydrophobicContact CD2-CB 3.99Å
56D93.4Very high94.1Very high84 Ų8447.7 Ų47.745%0.44926%0.257SS..  trans-112.2132.9-177.1-177.811.7000110.5F41 W91F41-D56 HydrophobicContact CD1-CB 4.11Å; F41-D56 HydrophobicContact CE1-CB 3.65Å; F41-D56 VanDerWaalsContact CE1-OD1 3.26Å; F41-D56 WeakPolarHBondContact CE1-OD1 3.16Å; F41-D56 HydrophobicContact CZ-CB 4.31Å; D56-W91 VanDerWaalsContact C-CH2 3.45Å; D56-W91 WeakPolarHBondContact O-CH2 3.4Å; D56-W91 WeakPolarHBondContact O-CZ3 3.34Å
57G92.7Very high94.3Very high33 Ų3345.1 Ų45.134%0.3425%0.25SS..  trans168.2-26.9-178.400000114.4
58H95.6Very high94.5Very high5 Ų542.5 Ų42.52%0.02324%0.237CC..  trans-73.3141.5172.9-77.5-66.9000111.3S40 V62 S76 Q78S40-H58 VanDerWaalsContact CB-O 3.32Å; S40-H58 WeakPolarHBondContact CB-O 3.43Å; S40-H58 WeakPolarHBondContact O-CB 3.46Å; S40-H58 PolarHBondContact OG-O 3.48Å; H58-V62 HydrophobicContact CB-CG2 4.46Å; H58-S76 WeakPolarHBondContact NE2-CB 3.28Å; H58-S76 PolarHBondContact NE2-OG 2.93Å; H58-Q78 PolarHBondContact ND1-OE1 3.33Å
59S92.1Very high94.6Very high74 Ų7441 Ų4152%0.51723%0.228SC..SBendtrans-84.9-24178.359.70000112.9Q78 K557S59-Q78 PolarHBondContact OG-NE2 3.3Å; S59-Q78 VanDerWaalsContact OG-NE2 3.14Å; S59-K557 PolarHBondContact O-NZ 3.1Å
60N93.6Very high95Very high34 Ų3439.6 Ų39.618%0.18223%0.225CC..SBendtrans-140.7-179.7-174-156.7-18.6000109.9S40 V62 V79 N80S40-N60 WeakPolarHBondContact CA-O 3.44Å; S40-N60 WeakPolarHBondContact CB-O 3.41Å; N60-V62 PolarHBondContact O-N 3.1Å; N60-V79 VanDerWaalsContact CB-O 3.25Å; N60-V79 WeakPolarHBondContact CB-O 3.22Å; N60-V79 VanDerWaalsContact CG-O 3.27Å; N60-V79 PolarHBondContact ND2-O 3.48Å; N60-N80 PolarHBondContact ND2-OD1 2.72Å
61N94.8Very high95.3Very high61 Ų6138.2 Ų38.233%0.32621%0.211SC..  trans-58133.9-170-70.8-10000112.9G39 S63 Q78 V79G39-N61 WeakPolarHBondContact O-CA 3.41Å; N61-S63 PolarHBondContact O-N 2.85Å; N61-Q78 CarbonylContact O-C 3.6Å; N61-Q78 VanDerWaalsContact O-CA 3.31Å; N61-Q78 WeakPolarHBondContact O-CA 3.47Å; N61-Q78 WeakPolarHBondContact O-CB 3.48Å; N61-V79 HydrophobicContact CB-CG1 3.96Å; N61-V79 WeakPolarHBondContact O-CG1 3.47Å; N61-V79 PolarHBondContact O-N 3.04Å
62V97.3Very high95.6Very high3 Ų336 Ų362%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-68.6129.6172179.60000108.9V21 P37 G39 H58 N60 G77V21-V62 VanDerWaalsContact CG2-O 3.28Å; V21-V62 WeakPolarHBondContact CG2-O 3.38Å; P37-V62 HydrophobicContact CB-CB 3.76Å; P37-V62 HydrophobicContact CB-CG1 3.86Å; P37-V62 HydrophobicContact CB-CG2 4.5Å; G39-V62 PolarHBondContact O-N 2.82Å; H58-V62 HydrophobicContact CB-CG2 4.46Å; N60-V62 PolarHBondContact O-N 3.1Å; V62-G77 CarbonylContact C-O 3.58Å; V62-G77 WeakPolarHBondContact CA-O 3.41Å; V62-G77 WeakPolarHBondContact CG1-O 3.4Å
63S97.1Very high95.9Very high10 Ų1036.8 Ų36.87%0.0721%0.21CC..EExtended strand (participates in β ladder)trans-108.3-20-174.8570000114.2V21 N61 G77 Q78 V109V21-S63 WeakPolarHBondContact CG1-O 3.42Å; N61-S63 PolarHBondContact O-N 2.85Å; S63-G77 PolarHBondContact N-O 3.05Å; S63-G77 PolarHBondContact OG-O 3.36Å; S63-Q78 PolarHBondContact OG-O 2.96Å; S63-V109 WeakPolarHBondContact CB-O 3.32Å; S63-V109 PolarHBondContact OG-O 2.58Å
64C97.4Very high96.1Very high6 Ų634.4 Ų34.44%0.04120%0.199CC..EExtended strand (participates in β ladder)trans-159.2155.2177.159.80000110.7S76 G77C64-S76 WeakPolarHBondContact O-CA 3.48Å; C64-G77 PolarHBondContact O-N 2.92Å
65I98.1Very high96.3Very high8 Ų832.3 Ų32.34%0.04119%0.189CC..EExtended strand (participates in β ladder)trans-147145.6179-168.9170.9000111.7G24 K26 I35 I42 I74 A75G24-I65 WeakPolarHBondContact O-CG2 3.48Å; K26-I65 VanDerWaalsContact CE-O 3.28Å; K26-I65 WeakPolarHBondContact CE-O 3.28Å; K26-I65 HydrophobicContact CG-CG2 4.17Å; I35-I65 HydrophobicContact CG2-CD1 3.51Å; I42-I65 HydrophobicContact CD1-CD1 4.09Å; I42-I65 HydrophobicContact CG1-CD1 4.24Å; I42-I65 HydrophobicContact CG2-CD1 3.58Å; I65-I74 HydrophobicContact CD1-CG2 3.92Å; I65-I74 HydrophobicContact CG1-CG2 3.9Å; I65-A75 CarbonylContact C-O 3.56Å; I65-A75 VanDerWaalsContact CA-O 3.31Å; I65-A75 WeakPolarHBondContact CA-O 3.16Å
66S97.7Very high96.4Very high17 Ų1732.2 Ų32.212%0.11919%0.189CC..EExtended strand (participates in β ladder)trans-142.6150.1171.8-167.20000110.8I74 A75 V112S66-I74 WeakPolarHBondContact O-CA 3.5Å; S66-A75 PolarHBondContact N-O 2.88Å; S66-A75 PolarHBondContact O-N 2.96Å; S66-V112 WeakPolarHBondContact CB-O 3.34Å
67V98Very high96.6Very high25 Ų2528.2 Ų28.215%0.15217%0.168CC..EExtended strand (participates in β ladder)trans-117.8134.6178.7-176.10000106.8K26 I35 I74K26-V67 HydrophobicContact CB-CG2 3.8Å; K26-V67 HydrophobicContact CG-CG2 4.07Å; I35-V67 HydrophobicContact CD1-CG2 3.85Å; V67-I74 HydrophobicContact CG2-CG1 4.4Å
68S97.5Very high96.7Very high1 Ų126.7 Ų26.71%0.00715%0.152CC..  trans-68.9157.1179.4800000110.8S70 G71 S72 Y73 E118S68-S70 VanDerWaalsContact C-N 3.33Å; S68-S70 PolarHBondContact O-N 3.02Å; S68-G71 WeakPolarHBondContact O-CA 3.37Å; S68-G71 PolarHBondContact O-N 3.42Å; S68-G71 PolarHBondContact OG-N 2.81Å; S68-S72 PolarHBondContact OG-N 2.76Å; S68-Y73 WeakPolarHBondContact CB-O 3.35Å; S68-Y73 PolarHBondContact N-O 3.27Å; S68-Y73 PolarHBondContact OG-N 2.96Å; S68-Y73 PolarHBondContact OG-O 2.98Å; S68-E118 VanDerWaalsContact CB-CD 3.47Å; S68-E118 WeakPolarHBondContact CB-OE1 3.45Å; S68-E118 VanDerWaalsContact OG-CD 3.25Å; S68-E118 PolarHBondContact OG-OE1 2.92Å
69K95.2Very high96.7Very high139 Ų13928.7 Ų28.760%0.60416%0.164SC*.THydrogen-bonded Turntrans-58.2-38.8-172.7-173.2169.8-175.3171.50114.1P29 E118 K161P29-K69 WeakPolarHBondContact CG-O 3.39Å; K69-E118 PolarHBondContact N-OE1 2.78Å; K69-K161 PolarHBondContact NZ-O 2.83Å; K69-K161 VanDerWaalsContact NZ-O 3.1Å
70S96Very high96.8Very high62 Ų6226.6 Ų26.643%0.43415%0.147SC..THydrogen-bonded Turntrans-78.2-19.717379.50000113.3S68 S72 E118S68-S70 VanDerWaalsContact C-N 3.33Å; S68-S70 PolarHBondContact O-N 3.02Å; S70-S72 VanDerWaalsContact C-N 3.29Å; S70-S72 VanDerWaalsContact OG-CB 3.32Å; S70-S72 WeakPolarHBondContact OG-CB 3.34Å; S70-S72 PolarHBondContact OG-N 3.3Å; S70-S72 VanDerWaalsContact OG-N 3.11Å; S70-S72 PolarHBondContact OG-OG 2.81Å; S70-E118 WeakPolarHBondContact CA-OE1 3.47Å; S70-E118 VanDerWaalsContact CB-OE1 3.24Å; S70-E118 WeakPolarHBondContact CB-OE1 3.33Å; S70-E118 WeakPolarHBondContact CB-OE2 3.46Å; S70-E118 PolarHBondContact N-OE1 3.11Å; S70-E118 PolarHBondContact OG-OE1 3.29Å; S70-E118 PolarHBondContact OG-OE2 2.83Å
71G96.5Very high96.6Very high2 Ų231.8 Ų31.82%0.02117%0.168CC..SBendtrans81.12.9-172.200000114.4H28 S68 Y73 Y93H28-G71 VanDerWaalsContact NE2-CA 3.31Å; H28-G71 WeakPolarHBondContact NE2-CA 3.35Å; H28-G71 PolarHBondContact NE2-O 3.49Å; S68-G71 WeakPolarHBondContact O-CA 3.37Å; S68-G71 PolarHBondContact O-N 3.42Å; S68-G71 PolarHBondContact OG-N 2.81Å; G71-Y73 PolarHBondContact O-N 2.79Å; G71-Y93 WeakPolarHBondContact O-CB 3.31Å
72S97.5Very high96.3Very high59 Ų5937.2 Ų37.241%0.41319%0.194SC..SBendtrans-63.1-30.5179.3-60.20000112.9S68 S70 Y93S68-S72 PolarHBondContact OG-N 2.76Å; S70-S72 VanDerWaalsContact C-N 3.29Å; S70-S72 VanDerWaalsContact OG-CB 3.32Å; S70-S72 WeakPolarHBondContact OG-CB 3.34Å; S70-S72 PolarHBondContact OG-N 3.3Å; S70-S72 VanDerWaalsContact OG-N 3.11Å; S70-S72 PolarHBondContact OG-OG 2.81Å; S72-Y93 WeakPolarHBondContact O-CB 3.33Å; S72-Y93 PolarHBondContact O-N 3.17Å
73Y98.3Very high95.8Very high54 Ų5440.6 Ų40.621%0.21223%0.229CC..EExtended strand (participates in β ladder)trans-126.8146.1-178.3-59.5-72.8000112.9S68 G71 I90 W91 V137S68-Y73 WeakPolarHBondContact CB-O 3.35Å; S68-Y73 PolarHBondContact N-O 3.27Å; S68-Y73 PolarHBondContact OG-N 2.96Å; S68-Y73 PolarHBondContact OG-O 2.98Å; G71-Y73 PolarHBondContact O-N 2.79Å; Y73-I90 HydrophobicContact CD1-CG2 3.97Å; Y73-I90 HydrophobicContact CG-CG2 4.31Å; Y73-W91 VanDerWaalsContact CA-O 3.32Å; Y73-W91 WeakPolarHBondContact CA-O 3.4Å; Y73-V137 HydrophobicContact CD1-CG1 4.5Å; Y73-V137 HydrophobicContact CD2-CG1 4.13Å; Y73-V137 HydrophobicContact CE1-CG1 4.5Å; Y73-V137 HydrophobicContact CE2-CG1 4.12Å; Y73-V137 HydrophobicContact CG-CG1 4.32Å
74I98.5Very high95.5Very high0 Ų046.2 Ų46.20%025%0.253CS..EExtended strand (participates in β ladder)trans-117.6136.5166.5-59.8167.3000106.8I35 I42 L44 L55 I65 S66 V67 I90 W91 Y93I35-I74 HydrophobicContact CD1-CD1 3.74Å; I35-I74 HydrophobicContact CD1-CG1 4.34Å; I42-I74 HydrophobicContact CD1-CG2 4.24Å; L44-I74 HydrophobicContact CD2-CD1 4.01Å; L55-I74 HydrophobicContact CD1-CD1 3.91Å; I65-I74 HydrophobicContact CD1-CG2 3.92Å; I65-I74 HydrophobicContact CG1-CG2 3.9Å; S66-I74 WeakPolarHBondContact O-CA 3.5Å; V67-I74 HydrophobicContact CG2-CG1 4.4Å; I74-I90 CarbonylContact O-C 3.52Å; I74-I90 WeakPolarHBondContact O-CA 3.46Å; I74-W91 HydrophobicContact CB-CB 4.23Å; I74-W91 PolarHBondContact N-O 2.79Å; I74-W91 VanDerWaalsContact N-O 3.13Å; I74-W91 VanDerWaalsContact O-CD1 3.29Å; I74-W91 PolarHBondContact O-N 3.36Å; I74-Y93 HydrophobicContact CD1-CD2 3.82Å
75A98.5Very high95.3Very high0 Ų050.4 Ų50.40%027%0.272CS..EExtended strand (participates in β ladder)trans-115.2136171.600000109.3I65 S66 I89 V112 F114 L121I65-A75 CarbonylContact C-O 3.56Å; I65-A75 VanDerWaalsContact CA-O 3.31Å; I65-A75 WeakPolarHBondContact CA-O 3.16Å; S66-A75 PolarHBondContact N-O 2.88Å; S66-A75 PolarHBondContact O-N 2.96Å; A75-I89 WeakPolarHBondContact CA-O 3.45Å; A75-V112 HydrophobicContact CB-CG2 4.17Å; A75-F114 HydrophobicContact CB-CD2 4.43Å; A75-F114 HydrophobicContact CB-CE2 3.49Å; A75-F114 VanDerWaalsContact CB-CE2 3.49Å; A75-F114 HydrophobicContact CB-CZ 3.59Å; A75-L121 HydrophobicContact CB-CD1 3.74Å; A75-L121 HydrophobicContact CB-CD2 4Å
76S98.4Very high95.1Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-137146.1176.857.50000111.3I42 H58 C64 V88 I89 W91I42-S76 WeakPolarHBondContact CD1-OG 3.43Å; H58-S76 WeakPolarHBondContact NE2-CB 3.28Å; H58-S76 PolarHBondContact NE2-OG 2.93Å; C64-S76 WeakPolarHBondContact O-CA 3.48Å; S76-V88 CarbonylContact O-C 3.57Å; S76-V88 VanDerWaalsContact O-CA 3.26Å; S76-V88 WeakPolarHBondContact O-CA 3.27Å; S76-V88 WeakPolarHBondContact O-CG1 3.4Å; S76-I89 PolarHBondContact N-O 2.78Å; S76-I89 PolarHBondContact O-N 2.85Å; S76-W91 PolarHBondContact OG-NE1 3.02Å
77G97.7Very high95.1Very high0 Ų049.3 Ų49.30%027%0.265CS..EExtended strand (participates in β ladder)trans-117.4154.4173.300000110.7V62 S63 C64V62-G77 CarbonylContact C-O 3.58Å; V62-G77 WeakPolarHBondContact CA-O 3.41Å; V62-G77 WeakPolarHBondContact CG1-O 3.4Å; S63-G77 PolarHBondContact N-O 3.05Å; S63-G77 PolarHBondContact OG-O 3.36Å; C64-G77 PolarHBondContact O-N 2.92Å
78Q95.9Very high95.1Very high1 Ų148.1 Ų48.11%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-112.1164.2174.671.6179.341.400113.5H58 S59 N61 S63 A86 P87 V109H58-Q78 PolarHBondContact ND1-OE1 3.33Å; S59-Q78 PolarHBondContact OG-NE2 3.3Å; S59-Q78 VanDerWaalsContact OG-NE2 3.14Å; N61-Q78 CarbonylContact O-C 3.6Å; N61-Q78 VanDerWaalsContact O-CA 3.31Å; N61-Q78 WeakPolarHBondContact O-CA 3.47Å; N61-Q78 WeakPolarHBondContact O-CB 3.48Å; S63-Q78 PolarHBondContact OG-O 2.96Å; Q78-A86 HydrophobicContact CG-CB 4.28Å; Q78-A86 WeakPolarHBondContact O-CB 3.28Å; Q78-P87 HydrophobicContact CG-CG 3.76Å; Q78-P87 PolarHBondContact N-O 2.81Å; Q78-V109 PolarHBondContact O-N 3.21Å
79V95.2Very high95.1Very high47 Ų4748.1 Ų48.129%0.28526%0.257SS..BIsolated β-bridgetrans-105.7144.6162.260.60000109.9N60 N61 T107 K108N60-V79 VanDerWaalsContact CB-O 3.25Å; N60-V79 WeakPolarHBondContact CB-O 3.22Å; N60-V79 VanDerWaalsContact CG-O 3.27Å; N60-V79 PolarHBondContact ND2-O 3.48Å; N61-V79 HydrophobicContact CB-CG1 3.96Å; N61-V79 WeakPolarHBondContact O-CG1 3.47Å; N61-V79 PolarHBondContact O-N 3.04Å; V79-T107 CarbonylContact C-O 3.57Å; V79-K108 HydrophobicContact CB-CB 4.33Å; V79-K108 HydrophobicContact CB-CD 4.42Å; V79-K108 HydrophobicContact CB-CG 4.02Å; V79-K108 HydrophobicContact CG2-CB 4.01Å; V79-K108 HydrophobicContact CG2-CD 4.21Å; V79-K108 HydrophobicContact CG2-CG 4.07Å
80N93.4Very high95.3Very high29 Ų2941.6 Ų41.616%0.15523%0.229CC..  trans-137.3173.5-178.5-150.3-4.8000110.2N60 F84 Q85 T107N60-N80 PolarHBondContact ND2-OD1 2.72Å; N80-F84 HydrophobicContact CB-CB 4.39Å; N80-F84 VanDerWaalsContact ND2-CB 3.33Å; N80-F84 WeakPolarHBondContact ND2-CB 3.43Å; N80-Q85 PolarHBondContact ND2-O 2.91Å; N80-T107 WeakPolarHBondContact CA-O 3.35Å; N80-T107 PolarHBondContact N-O 2.9Å; N80-T107 WeakPolarHBondContact O-CG2 3.48Å
81F89.3Confident95.4Very high143 Ų14338.8 Ų38.863%0.62721%0.209SC*.  trans-70151.7175.8-55.1-76000111.3G83 F84F81-G83 PolarHBondContact O-N 2.89Å; F81-F84 HydrophobicContact CB-CD2 3.98Å; F81-F84 HydrophobicContact CB-CE2 4.42Å; F81-F84 PolarHBondContact O-N 2.87Å; F81-F84 VanDerWaalsContact O-N 3.09Å
82M88.8Confident95.4Very high175 Ų17540.1 Ų40.186%0.86222%0.216SC*.THydrogen-bonded Turntrans-54.6131.6178.5-176178.5174.200110.9
83G86.3Confident95.4Very high75 Ų7538.3 Ų38.377%0.77320%0.2SC*.THydrogen-bonded Turntrans92.5-7.1-178.200000114.8F81F81-G83 PolarHBondContact O-N 2.89Å
84F90.8Very high95.3Very high127 Ų12739.4 Ų39.456%0.55722%0.221SC*.SBendtrans-105.4148.3173.4-64.3-89.2000111.5N80 F81 T107N80-F84 HydrophobicContact CB-CB 4.39Å; N80-F84 VanDerWaalsContact ND2-CB 3.33Å; N80-F84 WeakPolarHBondContact ND2-CB 3.43Å; F81-F84 HydrophobicContact CB-CD2 3.98Å; F81-F84 HydrophobicContact CB-CE2 4.42Å; F81-F84 PolarHBondContact O-N 2.87Å; F81-F84 VanDerWaalsContact O-N 3.09Å; F84-T107 WeakPolarHBondContact O-CA 3.48Å; F84-T107 PolarHBondContact O-N 3.44Å
85Q93.4Very high95.2Very high95 Ų9545.6 Ų45.644%0.44425%0.249SC..EExtended strand (participates in β ladder)trans-72.7147.7174.8-69-177.9-38.200111.3N80 H105N80-Q85 PolarHBondContact ND2-O 2.91Å; Q85-H105 CarbonylContact C-O 3.6Å; Q85-H105 WeakPolarHBondContact CA-O 3.25Å
86A94.9Very high95.1Very high0 Ų049.2 Ų49.20%026%0.263CS..EExtended strand (participates in β ladder)trans-110.7110175.400000109.9Q78 H105 V109Q78-A86 HydrophobicContact CG-CB 4.28Å; Q78-A86 WeakPolarHBondContact O-CB 3.28Å; A86-H105 PolarHBondContact N-O 3.35Å; A86-V109 HydrophobicContact CB-CG2 4.05Å
87P96.1Very high95.1Very high1 Ų152.1 Ų52.11%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-67.7148.5174.225.1-35.8000113.4Q78 E101 L102 R103Q78-P87 HydrophobicContact CG-CG 3.76Å; Q78-P87 PolarHBondContact N-O 2.81Å; P87-E101 HydrophobicContact CB-CG 3.77Å; P87-E101 WeakPolarHBondContact CB-OE1 3.2Å; P87-E101 WeakPolarHBondContact CG-OE1 3.4Å; P87-L102 VanDerWaalsContact CA-O 3.31Å; P87-L102 WeakPolarHBondContact CA-O 3.18Å; P87-R103 HydrophobicContact CB-CG 3.98Å
88V97.9Very high95.1Very high1 Ų156 Ų561%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-100.8132.5156.21790000107.5S76 L102 V109 V112 L121 T123S76-V88 CarbonylContact O-C 3.57Å; S76-V88 VanDerWaalsContact O-CA 3.26Å; S76-V88 WeakPolarHBondContact O-CA 3.27Å; S76-V88 WeakPolarHBondContact O-CG1 3.4Å; V88-L102 HydrophobicContact CB-CB 4.27Å; V88-L102 PolarHBondContact N-O 2.87Å; V88-L102 PolarHBondContact O-N 2.83Å; V88-V109 HydrophobicContact CG2-CB 4.32Å; V88-V109 HydrophobicContact CG2-CG1 3.74Å; V88-V109 HydrophobicContact CG2-CG2 3.64Å; V88-V112 HydrophobicContact CG1-CG1 4.17Å; V88-V112 HydrophobicContact CG2-CG1 4.39Å; V88-L121 HydrophobicContact CG1-CD2 4.18Å; V88-T123 HydrophobicContact CB-CG2 4.45Å; V88-T123 HydrophobicContact CG1-CG2 4.05Å; V88-T123 HydrophobicContact CG2-CG2 4.01Å
89I98.4Very high95.2Very high0 Ų057.7 Ų57.70%031%0.309CS..EExtended strand (participates in β ladder)trans-112.2132175.1-58.6178.8000108.5A75 S76 W91 I98 E101A75-I89 WeakPolarHBondContact CA-O 3.45Å; S76-I89 PolarHBondContact N-O 2.78Å; S76-I89 PolarHBondContact O-N 2.85Å; I89-W91 HydrophobicContact CB-CZ2 3.96Å; I89-W91 HydrophobicContact CD1-CH2 4.26Å; I89-W91 HydrophobicContact CD1-CZ2 3.9Å; I89-W91 HydrophobicContact CG2-CD2 3.78Å; I89-W91 HydrophobicContact CG2-CE3 4.27Å; I89-W91 HydrophobicContact CG2-CG 4.28Å; I89-W91 HydrophobicContact CG2-CH2 4.07Å; I89-W91 HydrophobicContact CG2-CZ2 3.55Å; I89-W91 HydrophobicContact CG2-CZ3 4.41Å; I89-I98 HydrophobicContact CG2-CB 4.44Å; I89-I98 HydrophobicContact CG2-CG1 4.04Å; I89-I98 HydrophobicContact CG2-CG2 3.89Å; I89-E101 HydrophobicContact CG1-CB 4.49Å; I89-E101 HydrophobicContact CG1-CG 4.15Å
90I98.5Very high95.3Very high2 Ų256.6 Ų56.61%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-103127.4166.9-51.5-179.4000107.4Y73 I74 H99 V100 L102 F114 L121 V137Y73-I90 HydrophobicContact CD1-CG2 3.97Å; Y73-I90 HydrophobicContact CG-CG2 4.31Å; I74-I90 CarbonylContact O-C 3.52Å; I74-I90 WeakPolarHBondContact O-CA 3.46Å; I90-H99 HydrophobicContact CG2-CB 4.36Å; I90-H99 WeakPolarHBondContact O-CA 3.35Å; I90-H99 WeakPolarHBondContact O-CB 3.41Å; I90-H99 PolarHBondContact O-N 2.65Å; I90-V100 HydrophobicContact CB-CG1 3.89Å; I90-V100 HydrophobicContact CD1-CG1 3.73Å; I90-V100 HydrophobicContact CG1-CG1 3.9Å; I90-V100 PolarHBondContact N-O 2.77Å; I90-V100 PolarHBondContact O-N 2.94Å; I90-L102 HydrophobicContact CD1-CD1 4.2Å; I90-L102 HydrophobicContact CG1-CD1 4.49Å; I90-F114 HydrophobicContact CG2-CZ 4.35Å; I90-L121 HydrophobicContact CD1-CD2 3.62Å; I90-L121 HydrophobicContact CG1-CD2 3.84Å; I90-V137 HydrophobicContact CD1-CG1 4.32Å; I90-V137 HydrophobicContact CD1-CG2 4.38Å; I90-V137 HydrophobicContact CG2-CG1 4.38Å
91W98.5Very high95.5Very high3 Ų358.5 Ų58.51%0.01131%0.31CS..EExtended strand (participates in β ladder)trans-106.7138.8-178.3-50.287.5000109.9I42 L55 D56 Y73 I74 S76 I89 Y93 T97 I98I42-W91 HydrophobicContact CD1-CZ2 4.32Å; I42-W91 VanDerWaalsContact CD1-NE1 3.34Å; L55-W91 HydrophobicContact CB-CD2 3.97Å; L55-W91 HydrophobicContact CB-CE3 3.77Å; L55-W91 HydrophobicContact CB-CH2 4.05Å; L55-W91 HydrophobicContact CB-CZ2 4.25Å; L55-W91 HydrophobicContact CB-CZ3 3.79Å; L55-W91 HydrophobicContact CD1-CB 4.06Å; L55-W91 HydrophobicContact CD1-CD2 4Å; L55-W91 HydrophobicContact CD1-CE3 4.35Å; L55-W91 HydrophobicContact CD1-CG 3.85Å; L55-W91 HydrophobicContact CD2-CE3 4.31Å; L55-W91 HydrophobicContact CG-CD2 4.46Å; L55-W91 HydrophobicContact CG-CE3 4.37Å; D56-W91 VanDerWaalsContact C-CH2 3.45Å; D56-W91 WeakPolarHBondContact O-CH2 3.4Å; D56-W91 WeakPolarHBondContact O-CZ3 3.34Å; Y73-W91 VanDerWaalsContact CA-O 3.32Å; Y73-W91 WeakPolarHBondContact CA-O 3.4Å; I74-W91 HydrophobicContact CB-CB 4.23Å; I74-W91 PolarHBondContact N-O 2.79Å; I74-W91 VanDerWaalsContact N-O 3.13Å; I74-W91 VanDerWaalsContact O-CD1 3.29Å; I74-W91 PolarHBondContact O-N 3.36Å; S76-W91 PolarHBondContact OG-NE1 3.02Å; I89-W91 HydrophobicContact CB-CZ2 3.96Å; I89-W91 HydrophobicContact CD1-CH2 4.26Å; I89-W91 HydrophobicContact CD1-CZ2 3.9Å; I89-W91 HydrophobicContact CG2-CD2 3.78Å; I89-W91 HydrophobicContact CG2-CE3 4.27Å; I89-W91 HydrophobicContact CG2-CG 4.28Å; I89-W91 HydrophobicContact CG2-CH2 4.07Å; I89-W91 HydrophobicContact CG2-CZ2 3.55Å; I89-W91 HydrophobicContact CG2-CZ3 4.41Å; W91-Y93 PolarHBondContact O-N 2.94Å; W91-T97 CarbonylContact C-O 3.58Å; W91-T97 WeakPolarHBondContact CA-O 3.11Å; W91-I98 HydrophobicContact CE3-CG1 3.72Å; W91-I98 HydrophobicContact CH2-CD1 4.28Å; W91-I98 HydrophobicContact CH2-CG1 3.93Å; W91-I98 HydrophobicContact CZ3-CD1 4.08Å; W91-I98 HydrophobicContact CZ3-CG1 3.34Å
92N97.9Very high95.8Very high31 Ų3152.2 Ų52.217%0.16628%0.283CS..EExtended strand (participates in β ladder)trans-79.3115.1162.8-179.1-38.5000107.6A94 E95 R96 T97N92-A94 PolarHBondContact OD1-N 3.25Å; N92-E95 HydrophobicContact CB-CB 4.31Å; N92-E95 PolarHBondContact OD1-N 3.48Å; N92-E95 VanDerWaalsContact OD1-N 3.08Å; N92-R96 WeakPolarHBondContact O-CA 3.39Å; N92-R96 PolarHBondContact O-N 2.59Å; N92-T97 PolarHBondContact N-O 3Å; N92-T97 PolarHBondContact O-N 3Å
93Y97.3Very high96Very high20 Ų2050.1 Ų50.18%0.07827%0.265CS..THydrogen-bonded Turntrans-62.5-53.4-178.2175.2-110.5000110.6H28 D30 H33 L44 G71 S72 I74 W91 E95 R96H28-Y93 AromaticContact CD2-CD2 3.98Å; H28-Y93 AromaticContact CD2-CE1 3.95Å; H28-Y93 AromaticContact CD2-CE2 3.74Å; H28-Y93 AromaticContact CD2-CZ 3.69Å; H28-Y93 AromaticContact CE1-CD1 3.69Å; H28-Y93 AromaticContact CE1-CE1 3.24Å; H28-Y93 WeakPolarHBondContact CE1-CE1 3.4Å; H28-Y93 AromaticContact CE1-CZ 3.61Å; H28-Y93 AromaticContact CG-CZ 3.88Å; H28-Y93 AromaticContact ND1-CE1 3.88Å; H28-Y93 AromaticContact ND1-CZ 3.81Å; H28-Y93 AromaticContact NE2-CD1 3.32Å; H28-Y93 VanDerWaalsContact NE2-CD1 3.32Å; H28-Y93 WeakPolarHBondContact NE2-CD1 3.27Å; H28-Y93 AromaticContact NE2-CD2 3.92Å; H28-Y93 AromaticContact NE2-CE1 3.27Å; H28-Y93 VanDerWaalsContact NE2-CE1 3.27Å; H28-Y93 WeakPolarHBondContact NE2-CE1 3.28Å; H28-Y93 AromaticContact NE2-CE2 3.87Å; H28-Y93 AromaticContact NE2-CG 3.63Å; H28-Y93 AromaticContact NE2-CZ 3.53Å; D30-Y93 PolarHBondContact OD2-OH 2.81Å; H33-Y93 PolarHBondContact CE1-OH 2.92Å; H33-Y93 VanDerWaalsContact CG-OH 3.32Å; H33-Y93 PolarHBondContact ND1-OH 2.85Å; L44-Y93 HydrophobicContact CD1-CD2 4.43Å; L44-Y93 HydrophobicContact CD1-CE2 4.15Å; G71-Y93 WeakPolarHBondContact O-CB 3.31Å; S72-Y93 WeakPolarHBondContact O-CB 3.33Å; S72-Y93 PolarHBondContact O-N 3.17Å; I74-Y93 HydrophobicContact CD1-CD2 3.82Å; W91-Y93 PolarHBondContact O-N 2.94Å; Y93-E95 VanDerWaalsContact C-N 3.31Å; Y93-E95 PolarHBondContact O-N 3.45Å; Y93-R96 VanDerWaalsContact O-CD 3.27Å; Y93-R96 WeakPolarHBondContact O-CD 2.94Å; Y93-R96 PolarHBondContact O-N 3.48Å; Y93-R96 VanDerWaalsContact O-N 3.16Å; Y93-R96 PolarHBondContact O-NH1 3.12Å
94A96.4Very high96.2Very high78 Ų7848.9 Ų48.965%0.64524%0.24SC*.THydrogen-bonded Turntrans-56.9-42.2-174.500000113.2N92 R96N92-A94 PolarHBondContact OD1-N 3.25Å; A94-R96 PolarHBondContact O-NH1 2.68Å
95E96.5Very high96.4Very high130 Ų13042.9 Ų42.961%0.60721%0.214SC*.THydrogen-bonded Turntrans-86.2-16.3-177.8-65.5177.7-172.600113.9N92 Y93 T97N92-E95 HydrophobicContact CB-CB 4.31Å; N92-E95 PolarHBondContact OD1-N 3.48Å; N92-E95 VanDerWaalsContact OD1-N 3.08Å; Y93-E95 VanDerWaalsContact C-N 3.31Å; Y93-E95 PolarHBondContact O-N 3.45Å; E95-T97 HydrophobicContact CB-CG2 3.97Å; E95-T97 WeakPolarHBondContact CB-OG1 3.25Å; E95-T97 PolarHBondContact O-N 3.25Å; E95-T97 PolarHBondContact OE2-OG1 2.62Å; E95-T97 VanDerWaalsContact OE2-OG1 3.11Å
96R96.3Very high96.3Very high76 Ų7641.7 Ų41.729%0.28721%0.21SC..THydrogen-bonded Turntrans58.933-171-48.6-64.1-170-83.80112.8E53 L55 N92 Y93 A94E53-R96 IonicContact OE2-CZ 3.24Å; E53-R96 IonicContact OE2-NE 2.64Å; E53-R96 PolarHBondContact OE2-NE 3.18Å; E53-R96 IonicContact OE2-NH2 3.62Å; E53-R96 PolarHBondContact OE2-NH2 2.8Å; L55-R96 HydrophobicContact CD2-CB 3.99Å; N92-R96 WeakPolarHBondContact O-CA 3.39Å; N92-R96 PolarHBondContact O-N 2.59Å; Y93-R96 VanDerWaalsContact O-CD 3.27Å; Y93-R96 WeakPolarHBondContact O-CD 2.94Å; Y93-R96 PolarHBondContact O-N 3.48Å; Y93-R96 VanDerWaalsContact O-N 3.16Å; Y93-R96 PolarHBondContact O-NH1 3.12Å; A94-R96 PolarHBondContact O-NH1 2.68Å
97T97.1Very high96.2Very high61 Ų6142.8 Ų42.837%0.37422%0.217SC..EExtended strand (participates in β ladder)trans-115.4159.6-176.456.30000111.9W91 N92 E95 H99W91-T97 CarbonylContact C-O 3.58Å; W91-T97 WeakPolarHBondContact CA-O 3.11Å; N92-T97 PolarHBondContact N-O 3Å; N92-T97 PolarHBondContact O-N 3Å; E95-T97 HydrophobicContact CB-CG2 3.97Å; E95-T97 WeakPolarHBondContact CB-OG1 3.25Å; E95-T97 PolarHBondContact O-N 3.25Å; E95-T97 PolarHBondContact OE2-OG1 2.62Å; E95-T97 VanDerWaalsContact OE2-OG1 3.11Å; T97-H99 PolarHBondContact O-N 3.05Å
98I98Very high96.2Very high81 Ų8145.5 Ų45.542%0.41523%0.229SC..EExtended strand (participates in β ladder)trans-73.4118.4170.4-63.8172.4000108.5I89 W91I89-I98 HydrophobicContact CG2-CB 4.44Å; I89-I98 HydrophobicContact CG2-CG1 4.04Å; I89-I98 HydrophobicContact CG2-CG2 3.89Å; W91-I98 HydrophobicContact CE3-CG1 3.72Å; W91-I98 HydrophobicContact CH2-CD1 4.28Å; W91-I98 HydrophobicContact CH2-CG1 3.93Å; W91-I98 HydrophobicContact CZ3-CD1 4.08Å; W91-I98 HydrophobicContact CZ3-CG1 3.34Å
99H97.3Very high96.2Very high37 Ų3745.5 Ų45.517%0.17123%0.229CC..EExtended strand (participates in β ladder)trans-78-45.1172.5176.965.6000111.4I90 T97 V137 K140I90-H99 HydrophobicContact CG2-CB 4.36Å; I90-H99 WeakPolarHBondContact O-CA 3.35Å; I90-H99 WeakPolarHBondContact O-CB 3.41Å; I90-H99 PolarHBondContact O-N 2.65Å; T97-H99 PolarHBondContact O-N 3.05Å; H99-V137 PolarHBondContact NE2-O 2.65Å; H99-K140 WeakPolarHBondContact CE1-CE 3.28Å; H99-K140 PolarHBondContact O-NZ 3.46Å
100V97.7Very high96.1Very high23 Ų2347.3 Ų47.314%0.13924%0.237CC..EExtended strand (participates in β ladder)trans-159.1147173.164.40000111.7I90 L102 K140I90-V100 HydrophobicContact CB-CG1 3.89Å; I90-V100 HydrophobicContact CD1-CG1 3.73Å; I90-V100 HydrophobicContact CG1-CG1 3.9Å; I90-V100 PolarHBondContact N-O 2.77Å; I90-V100 PolarHBondContact O-N 2.94Å; V100-L102 HydrophobicContact CB-CD2 4.47Å; V100-L102 HydrophobicContact CG1-CD2 4.02Å; V100-L102 HydrophobicContact CG1-CG 4.22Å; V100-L102 HydrophobicContact CG2-CD2 3.61Å; V100-L102 HydrophobicContact CG2-CG 4.39Å; V100-K140 HydrophobicContact CB-CB 4.47Å; V100-K140 HydrophobicContact CB-CD 4.08Å; V100-K140 HydrophobicContact CB-CG 4.2Å; V100-K140 HydrophobicContact CG1-CG 4.44Å; V100-K140 HydrophobicContact CG2-CB 4.13Å; V100-K140 HydrophobicContact CG2-CD 4.27Å; V100-K140 HydrophobicContact CG2-CG 4.37Å
101E97.3Very high96.1Very high70 Ų7047.8 Ų47.833%0.32724%0.241SC..EExtended strand (participates in β ladder)trans-108.6126.8167.2-177.1179.3-163.200110.5P87 I89 R103P87-E101 HydrophobicContact CB-CG 3.77Å; P87-E101 WeakPolarHBondContact CB-OE1 3.2Å; P87-E101 WeakPolarHBondContact CG-OE1 3.4Å; I89-E101 HydrophobicContact CG1-CB 4.49Å; I89-E101 HydrophobicContact CG1-CG 4.15Å; E101-R103 VanDerWaalsContact CD-CZ 3.5Å; E101-R103 VanDerWaalsContact CD-NE 3.25Å; E101-R103 HydrophobicContact CG-CG 4.27Å; E101-R103 IonicContact OE1-CZ 3.89Å; E101-R103 IonicContact OE1-NE 2.6Å; E101-R103 PolarHBondContact OE1-NE 2.84Å; E101-R103 VanDerWaalsContact OE1-NE 3.08Å; E101-R103 IonicContact OE1-NH1 3.9Å; E101-R103 IonicContact OE1-NH2 3.98Å; E101-R103 PolarHBondContact OE1-NH2 3.39Å; E101-R103 IonicContact OE2-CZ 3.95Å; E101-R103 IonicContact OE2-NE 3.2Å; E101-R103 PolarHBondContact OE2-NE 2.85Å; E101-R103 IonicContact OE2-NH2 3.06Å; E101-R103 PolarHBondContact OE2-NH2 2.76Å
102L95.6Very high96Very high10 Ų1048 Ų485%0.05224%0.243CC..EExtended strand (participates in β ladder)trans-114.6106.3-174.8-51.7174.5000110.1P87 V88 I90 V100 W135P87-L102 VanDerWaalsContact CA-O 3.31Å; P87-L102 WeakPolarHBondContact CA-O 3.18Å; V88-L102 HydrophobicContact CB-CB 4.27Å; V88-L102 PolarHBondContact N-O 2.87Å; V88-L102 PolarHBondContact O-N 2.83Å; I90-L102 HydrophobicContact CD1-CD1 4.2Å; I90-L102 HydrophobicContact CG1-CD1 4.49Å; V100-L102 HydrophobicContact CB-CD2 4.47Å; V100-L102 HydrophobicContact CG1-CD2 4.02Å; V100-L102 HydrophobicContact CG1-CG 4.22Å; V100-L102 HydrophobicContact CG2-CD2 3.61Å; V100-L102 HydrophobicContact CG2-CG 4.39Å; L102-W135 HydrophobicContact CB-CH2 3.94Å; L102-W135 HydrophobicContact CB-CZ2 3.98Å; L102-W135 HydrophobicContact CB-CZ3 4.49Å; L102-W135 HydrophobicContact CD1-CD2 3.73Å; L102-W135 HydrophobicContact CD1-CE3 4.03Å; L102-W135 HydrophobicContact CD1-CG 3.99Å; L102-W135 HydrophobicContact CD1-CH2 4.36Å; L102-W135 HydrophobicContact CD1-CZ2 4.16Å; L102-W135 HydrophobicContact CD1-CZ3 4.36Å; L102-W135 HydrophobicContact CD2-CD2 4.47Å; L102-W135 HydrophobicContact CD2-CE3 3.93Å; L102-W135 HydrophobicContact CD2-CH2 3.98Å; L102-W135 HydrophobicContact CD2-CZ3 3.68Å; L102-W135 HydrophobicContact CG-CH2 4.31Å; L102-W135 HydrophobicContact CG-CZ2 4.47Å; L102-W135 HydrophobicContact CG-CZ3 4.39Å
103R93.4Very high96Very high132 Ų13246.8 Ų46.850%0.49824%0.237SC..EExtended strand (participates in β ladder)trans-103.384.9-176.9-69174.2-177.7-94.12.4111.5P87 E101P87-R103 HydrophobicContact CB-CG 3.98Å; E101-R103 VanDerWaalsContact CD-CZ 3.5Å; E101-R103 VanDerWaalsContact CD-NE 3.25Å; E101-R103 HydrophobicContact CG-CG 4.27Å; E101-R103 IonicContact OE1-CZ 3.89Å; E101-R103 IonicContact OE1-NE 2.6Å; E101-R103 PolarHBondContact OE1-NE 2.84Å; E101-R103 VanDerWaalsContact OE1-NE 3.08Å; E101-R103 IonicContact OE1-NH1 3.9Å; E101-R103 IonicContact OE1-NH2 3.98Å; E101-R103 PolarHBondContact OE1-NH2 3.39Å; E101-R103 IonicContact OE2-CZ 3.95Å; E101-R103 IonicContact OE2-NE 3.2Å; E101-R103 PolarHBondContact OE2-NE 2.85Å; E101-R103 IonicContact OE2-NH2 3.06Å; E101-R103 PolarHBondContact OE2-NH2 2.76Å
104I90.9Very high96.1Very high48 Ų4846.6 Ų46.625%0.24624%0.236CC..EExtended strand (participates in β ladder)trans-128.2-40-179.2-66.8-156.8000113.4F133 W135 L142I104-F133 HydrophobicContact CD1-CD1 4.39Å; I104-F133 HydrophobicContact CD1-CE1 4.48Å; I104-F133 HydrophobicContact CG2-CD1 3.84Å; I104-F133 HydrophobicContact CG2-CD2 4.09Å; I104-F133 HydrophobicContact CG2-CE1 3.35Å; I104-F133 HydrophobicContact CG2-CE2 3.61Å; I104-F133 HydrophobicContact CG2-CG 4.19Å; I104-F133 HydrophobicContact CG2-CZ 3.22Å; I104-W135 HydrophobicContact CB-CH2 4.5Å; I104-W135 HydrophobicContact CB-CZ2 4.17Å; I104-W135 HydrophobicContact CD1-CH2 3.08Å; I104-W135 HydrophobicContact CD1-CZ2 3.35Å; I104-W135 HydrophobicContact CD1-CZ3 4.14Å; I104-W135 HydrophobicContact CG1-CH2 3.58Å; I104-W135 HydrophobicContact CG1-CZ2 3.74Å; I104-L142 HydrophobicContact CD1-CD2 4.01Å
105H94.3Very high96.1Very high2 Ų243 Ų431%0.00921%0.206CC..EExtended strand (participates in β ladder)trans-73.1145.1-175.8-67.7-63.5000111.5Q85 A86 V109 T123 L124 G125 D129 F133Q85-H105 CarbonylContact C-O 3.6Å; Q85-H105 WeakPolarHBondContact CA-O 3.25Å; A86-H105 PolarHBondContact N-O 3.35Å; H105-V109 HydrophobicContact CB-CG2 4.13Å; H105-T123 VanDerWaalsContact NE2-CB 3.28Å; H105-T123 WeakPolarHBondContact NE2-CB 3.12Å; H105-T123 PolarHBondContact NE2-OG1 3.02Å; H105-L124 VanDerWaalsContact CE1-C 3.47Å; H105-G125 VanDerWaalsContact CE1-CA 3.48Å; H105-G125 WeakPolarHBondContact CE1-CA 3.38Å; H105-G125 PolarHBondContact CE1-N 2.87Å; H105-G125 WeakPolarHBondContact ND1-CA 3.33Å; H105-G125 PolarHBondContact ND1-N 2.96Å; H105-D129 IonicContact CE1-OD2 3.6Å; H105-D129 IonicContact CG-OD2 3.04Å; H105-D129 IonicContact ND1-OD2 2.69Å; H105-D129 PolarHBondContact ND1-OD2 3.09Å; H105-F133 AromaticContact CE1-CD2 3.29Å; H105-F133 WeakPolarHBondContact CE1-CD2 3.44Å; H105-F133 AromaticContact CE1-CE2 3.58Å; H105-F133 AromaticContact ND1-CD2 3.93Å; H105-F133 AromaticContact ND1-CE2 3.75Å; H105-F133 AromaticContact NE2-CD2 3.9Å
106N92.1Very high96.1Very high69 Ų6937.9 Ų37.937%0.36918%0.184SC..EExtended strand (participates in β ladder)trans-88.4141.9170.9-64.5-30.6000109.5K108 D128 D129N106-K108 PolarHBondContact O-N 3.29Å; N106-D128 WeakPolarHBondContact CB-OD2 3.07Å; N106-D129 HydrophobicContact CB-CB 4.41Å
107T93.6Very high96.1Very high24 Ų2437 Ų3715%0.14719%0.19CC..SBendtrans57.7-58.2171.8-46.70000115.7V79 N80 F84 D128V79-T107 CarbonylContact C-O 3.57Å; N80-T107 WeakPolarHBondContact CA-O 3.35Å; N80-T107 PolarHBondContact N-O 2.9Å; N80-T107 WeakPolarHBondContact O-CG2 3.48Å; F84-T107 WeakPolarHBondContact O-CA 3.48Å; F84-T107 PolarHBondContact O-N 3.44Å; T107-D128 WeakPolarHBondContact CB-OD2 3.49Å; T107-D128 PolarHBondContact OG1-OD2 3.07Å
108K95.9Very high96Very high58 Ų5835.4 Ų35.425%0.25218%0.179SC..BIsolated β-bridgetrans-141.5141.5-176-177175.7175.2-150.10112V79 N106 E110 G126V79-K108 HydrophobicContact CB-CB 4.33Å; V79-K108 HydrophobicContact CB-CD 4.42Å; V79-K108 HydrophobicContact CB-CG 4.02Å; V79-K108 HydrophobicContact CG2-CB 4.01Å; V79-K108 HydrophobicContact CG2-CD 4.21Å; V79-K108 HydrophobicContact CG2-CG 4.07Å; N106-K108 PolarHBondContact O-N 3.29Å; K108-E110 VanDerWaalsContact CD-OE2 3.24Å; K108-E110 WeakPolarHBondContact CD-OE2 3.32Å; K108-E110 WeakPolarHBondContact CE-OE2 3.27Å; K108-E110 IonicContact NZ-OE1 3.53Å; K108-E110 PolarHBondContact NZ-OE1 3.04Å; K108-E110 IonicContact NZ-OE2 2.62Å; K108-E110 PolarHBondContact NZ-OE2 3.29Å; K108-G126 PolarHBondContact O-N 2.99Å
109V97.4Very high95.9Very high0 Ų036 Ų360%018%0.178CC..EExtended strand (participates in β ladder)trans-92.3121.3160.7-172.10000108.2S63 Q78 A86 V88 H105 V112S63-V109 WeakPolarHBondContact CB-O 3.32Å; S63-V109 PolarHBondContact OG-O 2.58Å; Q78-V109 PolarHBondContact O-N 3.21Å; A86-V109 HydrophobicContact CB-CG2 4.05Å; V88-V109 HydrophobicContact CG2-CB 4.32Å; V88-V109 HydrophobicContact CG2-CG1 3.74Å; V88-V109 HydrophobicContact CG2-CG2 3.64Å; H105-V109 HydrophobicContact CB-CG2 4.13Å; V109-V112 HydrophobicContact CG1-CG1 3.83Å
110E96.4Very high96Very high38 Ų3835.7 Ų35.718%0.17818%0.175CC..EExtended strand (participates in β ladder)trans-86.9-41.5-172.9-158.663.8-151.400112.1K108 L124 L155K108-E110 VanDerWaalsContact CD-OE2 3.24Å; K108-E110 WeakPolarHBondContact CD-OE2 3.32Å; K108-E110 WeakPolarHBondContact CE-OE2 3.27Å; K108-E110 IonicContact NZ-OE1 3.53Å; K108-E110 PolarHBondContact NZ-OE1 3.04Å; K108-E110 IonicContact NZ-OE2 2.62Å; K108-E110 PolarHBondContact NZ-OE2 3.29Å; E110-L124 HydrophobicContact CB-CD2 4.1Å; E110-L124 HydrophobicContact CB-CG 4.06Å; E110-L124 HydrophobicContact CG-CD2 4.41Å; E110-L124 PolarHBondContact N-O 3.3Å; E110-L155 HydrophobicContact CG-CD2 4.43Å; E110-L155 WeakPolarHBondContact CG-O 3.48Å
111S97.3Very high96Very high13 Ų1334.6 Ų34.69%0.09117%0.169CC..EExtended strand (participates in β ladder)trans-156.7152.5-179.6-169.50000111.4L124 V157S111-L124 PolarHBondContact O-N 2.65Å; S111-V157 PolarHBondContact OG-N 2.87Å
112V97.9Very high96Very high8 Ų831.2 Ų31.25%0.04815%0.153CC..EExtended strand (participates in β ladder)trans-137.3140.2175.8-64.40000109.9S66 A75 V88 V109 L121 V122 T123S66-V112 WeakPolarHBondContact CB-O 3.34Å; A75-V112 HydrophobicContact CB-CG2 4.17Å; V88-V112 HydrophobicContact CG1-CG1 4.17Å; V88-V112 HydrophobicContact CG2-CG1 4.39Å; V109-V112 HydrophobicContact CG1-CG1 3.83Å; V112-L121 HydrophobicContact CB-CD1 4.46Å; V112-V122 WeakPolarHBondContact CA-O 3.31Å; V112-T123 HydrophobicContact CG1-CG2 3.98Å
113A98.1Very high96.1Very high4 Ų430.8 Ų30.83%0.03315%0.151CC..EExtended strand (participates in β ladder)trans-146.4129.5179.900000111.6V122 V157A113-V122 PolarHBondContact N-O 2.8Å; A113-V122 PolarHBondContact O-N 2.88Å; A113-V157 HydrophobicContact CB-CG1 4.17Å
114F98.3Very high96.3Very high16 Ų1624.5 Ų24.57%0.0713%0.127CC..EExtended strand (participates in β ladder)trans-79.7149.3172.4-75.7-78.1000111A75 I90 L121 V137 Y159A75-F114 HydrophobicContact CB-CD2 4.43Å; A75-F114 HydrophobicContact CB-CE2 3.49Å; A75-F114 VanDerWaalsContact CB-CE2 3.49Å; A75-F114 HydrophobicContact CB-CZ 3.59Å; I90-F114 HydrophobicContact CG2-CZ 4.35Å; F114-L121 HydrophobicContact CD1-CB 4.33Å; F114-L121 HydrophobicContact CD1-CD1 3.82Å; F114-L121 HydrophobicContact CD2-CD1 4.12Å; F114-L121 HydrophobicContact CE1-CB 4.36Å; F114-L121 HydrophobicContact CE1-CD1 3.87Å; F114-L121 HydrophobicContact CE2-CD1 4.17Å; F114-L121 HydrophobicContact CG-CD1 3.96Å; F114-L121 HydrophobicContact CZ-CD1 4.05Å; F114-V137 HydrophobicContact CD1-CG2 4.2Å; F114-V137 HydrophobicContact CE1-CG1 4.47Å; F114-V137 HydrophobicContact CE1-CG2 3.93Å; F114-Y159 WeakPolarHBondContact O-CB 3.35Å
115S97.6Very high96.6Very high2 Ų222.2 Ų22.21%0.01412%0.116CC..  trans-71.9158.8165.879.80000111.3S117 E118 Y120 Y159 D164S115-S117 VanDerWaalsContact C-N 3.26Å; S115-S117 PolarHBondContact O-N 3.49Å; S115-S117 PolarHBondContact OG-OG 2.53Å; S115-E118 WeakPolarHBondContact O-CA 3.24Å; S115-E118 PolarHBondContact O-N 2.92Å; S115-E118 PolarHBondContact OG-N 2.82Å; S115-Y120 PolarHBondContact N-O 2.96Å; S115-Y120 PolarHBondContact OG-N 3.03Å; S115-Y159 VanDerWaalsContact CB-CZ 3.44Å; S115-D164 WeakPolarHBondContact CB-OD1 3.47Å; S115-D164 PolarHBondContact OG-OD1 3.13Å
116P96.2Very high96.5Very high23 Ų2322.2 Ų22.215%0.14912%0.116CC..THydrogen-bonded Turntrans-52.3-37.8177.2-33.638.9000115.5E118 S160 D164P116-E118 VanDerWaalsContact C-N 3.29Å; P116-S160 VanDerWaalsContact CD-O 3.25Å; P116-S160 WeakPolarHBondContact CD-O 3.46Å; P116-S160 WeakPolarHBondContact CG-O 3.45Å; P116-D164 VanDerWaalsContact CD-OD1 3.25Å; P116-D164 WeakPolarHBondContact CD-OD1 3.24Å
117S95.8Very high96.3Very high59 Ų5926.4 Ų26.441%0.41313%0.131SC..THydrogen-bonded Turntrans-83.6-3.4175.967.70000114.2S115 K119 D164S115-S117 VanDerWaalsContact C-N 3.26Å; S115-S117 PolarHBondContact O-N 3.49Å; S115-S117 PolarHBondContact OG-OG 2.53Å; S117-K119 PolarHBondContact O-N 3.41Å; S117-K119 WeakPolarHBondContact OG-CB 2.92Å; S117-K119 PolarHBondContact OG-N 3Å; S117-D164 WeakPolarHBondContact CB-OD2 3.47Å; S117-D164 PolarHBondContact N-OD1 3.46Å; S117-D164 PolarHBondContact OG-OD1 3.24Å; S117-D164 PolarHBondContact OG-OD2 2.95Å
118E95.9Very high96Very high27 Ų2729.3 Ų29.313%0.12615%0.146CC..SBendtrans64.81.6-176.2-39.2-176.1136.400114.5S68 K69 S70 S115 P116 Y120 V137S68-E118 VanDerWaalsContact CB-CD 3.47Å; S68-E118 WeakPolarHBondContact CB-OE1 3.45Å; S68-E118 VanDerWaalsContact OG-CD 3.25Å; S68-E118 PolarHBondContact OG-OE1 2.92Å; K69-E118 PolarHBondContact N-OE1 2.78Å; S70-E118 WeakPolarHBondContact CA-OE1 3.47Å; S70-E118 VanDerWaalsContact CB-OE1 3.24Å; S70-E118 WeakPolarHBondContact CB-OE1 3.33Å; S70-E118 WeakPolarHBondContact CB-OE2 3.46Å; S70-E118 PolarHBondContact N-OE1 3.11Å; S70-E118 PolarHBondContact OG-OE1 3.29Å; S70-E118 PolarHBondContact OG-OE2 2.83Å; S115-E118 WeakPolarHBondContact O-CA 3.24Å; S115-E118 PolarHBondContact O-N 2.92Å; S115-E118 PolarHBondContact OG-N 2.82Å; P116-E118 VanDerWaalsContact C-N 3.29Å; E118-Y120 VanDerWaalsContact C-N 3.25Å; E118-Y120 PolarHBondContact O-N 3.35Å; E118-V137 WeakPolarHBondContact O-CB 3.37Å; E118-V137 WeakPolarHBondContact O-CG2 3.37Å
119K96Very high95.6Very high94 Ų9427.2 Ų27.241%0.40914%0.138SC..SBendtrans-65.4-33.3177.7-173.8177.2179.9-170.20111.7S117 N136 V137S117-K119 PolarHBondContact O-N 3.41Å; S117-K119 WeakPolarHBondContact OG-CB 2.92Å; S117-K119 PolarHBondContact OG-N 3Å; K119-N136 WeakPolarHBondContact O-CA 3.01Å; K119-V137 PolarHBondContact O-N 2.65Å
120Y97.5Very high95.2Very high29 Ų2928.7 Ų28.711%0.11415%0.148CC..EExtended strand (participates in β ladder)trans-118144.7-176.7-52.7-66.1000112.4S115 E118 W135 I143 D164 F180S115-Y120 PolarHBondContact N-O 2.96Å; S115-Y120 PolarHBondContact OG-N 3.03Å; E118-Y120 VanDerWaalsContact C-N 3.25Å; E118-Y120 PolarHBondContact O-N 3.35Å; Y120-W135 CarbonylContact C-O 3.56Å; Y120-W135 WeakPolarHBondContact CA-O 3.13Å; Y120-I143 HydrophobicContact CD1-CD1 3.38Å; Y120-I143 HydrophobicContact CE1-CD1 3.28Å; Y120-D164 HydrophobicContact CD2-CB 4.5Å; Y120-F180 HydrophobicContact CD1-CE1 4.38Å; Y120-F180 HydrophobicContact CD2-CE1 4.25Å; Y120-F180 AromaticContact CE1-CE1 3.95Å; Y120-F180 HydrophobicContact CE1-CE1 3.95Å; Y120-F180 HydrophobicContact CE1-CZ 4.23Å; Y120-F180 HydrophobicContact CE2-CD1 4.36Å; Y120-F180 AromaticContact CE2-CE1 3.81Å; Y120-F180 HydrophobicContact CE2-CE1 3.81Å; Y120-F180 AromaticContact CZ-CE1 3.64Å
121L98.1Very high95.2Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-121.4129.4168.4179.674.3000108.7A75 V88 I90 V112 F114 T123 W135 V137A75-L121 HydrophobicContact CB-CD1 3.74Å; A75-L121 HydrophobicContact CB-CD2 4Å; V88-L121 HydrophobicContact CG1-CD2 4.18Å; I90-L121 HydrophobicContact CD1-CD2 3.62Å; I90-L121 HydrophobicContact CG1-CD2 3.84Å; V112-L121 HydrophobicContact CB-CD1 4.46Å; F114-L121 HydrophobicContact CD1-CB 4.33Å; F114-L121 HydrophobicContact CD1-CD1 3.82Å; F114-L121 HydrophobicContact CD2-CD1 4.12Å; F114-L121 HydrophobicContact CE1-CB 4.36Å; F114-L121 HydrophobicContact CE1-CD1 3.87Å; F114-L121 HydrophobicContact CE2-CD1 4.17Å; F114-L121 HydrophobicContact CG-CD1 3.96Å; F114-L121 HydrophobicContact CZ-CD1 4.05Å; L121-T123 HydrophobicContact CD2-CG2 3.83Å; L121-T123 HydrophobicContact CG-CG2 3.98Å; L121-W135 HydrophobicContact CB-CB 4.39Å; L121-W135 PolarHBondContact N-O 3.09Å; L121-W135 PolarHBondContact O-N 3.37Å; L121-V137 HydrophobicContact CB-CG2 3.85Å
122V98.2Very high95.2Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-102131171.4175.70000109.3V112 A113 I132 F133 V134 V157 Y159 F167V112-V122 WeakPolarHBondContact CA-O 3.31Å; A113-V122 PolarHBondContact N-O 2.8Å; A113-V122 PolarHBondContact O-N 2.88Å; V122-I132 HydrophobicContact CG1-CG2 3.52Å; V122-F133 WeakPolarHBondContact CA-O 3.32Å; V122-V134 HydrophobicContact CG2-CG1 4.41Å; V122-V134 HydrophobicContact CG2-CG2 3.96Å; V122-V157 HydrophobicContact CG1-CG1 4.21Å; V122-V157 HydrophobicContact CG1-CG2 3.65Å; V122-Y159 HydrophobicContact CB-CE2 4.46Å; V122-Y159 HydrophobicContact CG2-CD2 4.12Å; V122-Y159 HydrophobicContact CG2-CE2 3.58Å; V122-F167 HydrophobicContact CG1-CD2 4.31Å; V122-F167 HydrophobicContact CG1-CE2 4.02Å; V122-F167 HydrophobicContact CG1-CZ 4.34Å; V122-F167 HydrophobicContact CG2-CD1 4.17Å; V122-F167 HydrophobicContact CG2-CE1 4.1Å; V122-F167 HydrophobicContact CG2-CG 4.41Å; V122-F167 HydrophobicContact CG2-CZ 4.27Å
123T98.2Very high95.1Very high0 Ų030.9 Ų30.90%015%0.151CC..EExtended strand (participates in β ladder)trans-123.7136.3179.369.20000110.3V88 H105 V112 L121 I132 F133 W135V88-T123 HydrophobicContact CB-CG2 4.45Å; V88-T123 HydrophobicContact CG1-CG2 4.05Å; V88-T123 HydrophobicContact CG2-CG2 4.01Å; H105-T123 VanDerWaalsContact NE2-CB 3.28Å; H105-T123 WeakPolarHBondContact NE2-CB 3.12Å; H105-T123 PolarHBondContact NE2-OG1 3.02Å; V112-T123 HydrophobicContact CG1-CG2 3.98Å; L121-T123 HydrophobicContact CD2-CG2 3.83Å; L121-T123 HydrophobicContact CG-CG2 3.98Å; T123-I132 WeakPolarHBondContact O-CA 3.47Å; T123-F133 PolarHBondContact N-O 3.27Å; T123-F133 PolarHBondContact O-N 2.83Å; T123-W135 PolarHBondContact OG1-NE1 2.86Å; T123-W135 VanDerWaalsContact OG1-NE1 3.1Å
124L97.6Very high95.1Very high0 Ų030.7 Ų30.70%015%0.15CC..EExtended strand (participates in β ladder)trans-114.4126.7-179.317465.4000110.1H105 E110 S111 I132 A148 C154 V157H105-L124 VanDerWaalsContact CE1-C 3.47Å; E110-L124 HydrophobicContact CB-CD2 4.1Å; E110-L124 HydrophobicContact CB-CG 4.06Å; E110-L124 HydrophobicContact CG-CD2 4.41Å; E110-L124 PolarHBondContact N-O 3.3Å; S111-L124 PolarHBondContact O-N 2.65Å; L124-I132 HydrophobicContact CD1-CD1 4.39Å; L124-I132 HydrophobicContact CD1-CG1 3.68Å; L124-A148 HydrophobicContact CD1-CB 3.55Å; L124-C154 HydrophobicContact CD1-CB 3.82Å; L124-C154 HydrophobicContact CD2-CB 3.88Å; L124-C154 HydrophobicContact CG-CB 4.48Å; L124-V157 HydrophobicContact CB-CG1 4.27Å
125G95.6Very high95.1Very high1 Ų130.6 Ų30.61%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-81.4155.9175.400000112.5H105 R131H105-G125 VanDerWaalsContact CE1-CA 3.48Å; H105-G125 WeakPolarHBondContact CE1-CA 3.38Å; H105-G125 PolarHBondContact CE1-N 2.87Å; H105-G125 WeakPolarHBondContact ND1-CA 3.33Å; H105-G125 PolarHBondContact ND1-N 2.96Å; G125-R131 PolarHBondContact N-O 2.88Å
126G92.3Very high95Very high2 Ų231.5 Ų31.52%0.02115%0.154CC..  trans-63.4-175.5177.300000113.9K108 D128 D129 C130K108-G126 PolarHBondContact O-N 2.99Å; G126-D128 PolarHBondContact O-N 3.45Å; G126-D128 VanDerWaalsContact O-N 3.11Å; G126-D129 PolarHBondContact O-N 2.88Å; G126-D129 VanDerWaalsContact O-N 3.07Å; G126-C130 PolarHBondContact O-N 3.22Å
127K89.3Confident95.1Very high156 Ų15630.5 Ų30.568%0.67815%0.147SC*.THydrogen-bonded Turntrans-57.8-27.7-173.6-174.5176.8178.3-176.50114.5C130 H153K127-C130 PolarHBondContact O-SG 2.78Å; K127-H153 HydrophobicContact CG-CB 4.17Å
128D86.9Confident95.1Very high85 Ų8534.9 Ų34.946%0.45516%0.161SC..THydrogen-bonded Turntrans-83.3-30.2178.458.7-40.9000113.4N106 T107 G126N106-D128 WeakPolarHBondContact CB-OD2 3.07Å; T107-D128 WeakPolarHBondContact CB-OD2 3.49Å; T107-D128 PolarHBondContact OG1-OD2 3.07Å; G126-D128 PolarHBondContact O-N 3.45Å; G126-D128 VanDerWaalsContact O-N 3.11Å
129D87.9Confident95.1Very high15 Ų1537 Ų378%0.0818%0.176CC..THydrogen-bonded Turntrans-88.3-45.6176.7-174.227.1000112.1H105 N106 G126 R131H105-D129 IonicContact CE1-OD2 3.6Å; H105-D129 IonicContact CG-OD2 3.04Å; H105-D129 IonicContact ND1-OD2 2.69Å; H105-D129 PolarHBondContact ND1-OD2 3.09Å; N106-D129 HydrophobicContact CB-CB 4.41Å; G126-D129 PolarHBondContact O-N 2.88Å; G126-D129 VanDerWaalsContact O-N 3.07Å; D129-R131 WeakPolarHBondContact O-CG 2.8Å; D129-R131 PolarHBondContact O-N 2.88Å; D129-R131 WeakPolarHBondContact OD1-CD 3.44Å
130C89.1Confident95.1Very high31 Ų3137.1 Ų37.121%0.20918%0.176CC..  trans48.739179.4-76.40000114G126 K127 A148G126-C130 PolarHBondContact O-N 3.22Å; K127-C130 PolarHBondContact O-SG 2.78Å; C130-A148 WeakPolarHBondContact O-CB 3.43Å; C130-A148 PolarHBondContact O-N 3.16Å
131R95.1Very high94.9Very high102 Ų10242 Ų4239%0.38520%0.2SC..EExtended strand (participates in β ladder)trans-127.5148.8-177.5-75.5173.7-172.6173.30.6112.3G125 D129 F133 N146G125-R131 PolarHBondContact N-O 2.88Å; D129-R131 WeakPolarHBondContact O-CG 2.8Å; D129-R131 PolarHBondContact O-N 2.88Å; D129-R131 WeakPolarHBondContact OD1-CD 3.44Å; R131-F133 HydrophobicContact CB-CD2 4.31Å; R131-F133 HydrophobicContact CB-CE2 3.56Å; R131-F133 HydrophobicContact CB-CZ 4.02Å; R131-N146 WeakPolarHBondContact CA-O 3.42Å
132I96.8Very high94.9Very high0 Ų045.1 Ų45.10%022%0.216CC..EExtended strand (participates in β ladder)trans-107.7134.8170.9-69172.8000108.3V122 T123 L124 R145 N146 A148 F167 W178 I185V122-I132 HydrophobicContact CG1-CG2 3.52Å; T123-I132 WeakPolarHBondContact O-CA 3.47Å; L124-I132 HydrophobicContact CD1-CD1 4.39Å; L124-I132 HydrophobicContact CD1-CG1 3.68Å; I132-R145 VanDerWaalsContact O-CA 3.25Å; I132-R145 WeakPolarHBondContact O-CA 2.87Å; I132-N146 PolarHBondContact N-O 2.59Å; I132-N146 PolarHBondContact O-N 2.98Å; I132-A148 HydrophobicContact CD1-CB 3.99Å; I132-A148 HydrophobicContact CG1-CB 3.77Å; I132-F167 HydrophobicContact CD1-CE2 4.28Å; I132-F167 HydrophobicContact CG2-CE2 4.1Å; I132-F167 HydrophobicContact CG2-CZ 4.13Å; I132-W178 HydrophobicContact CD1-CH2 4.27Å; I132-W178 HydrophobicContact CD1-CZ2 3.58Å; I132-I185 HydrophobicContact CG2-CD1 4.14Å
133F96.9Very high94.8Very high2 Ų247 Ų471%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-121.8142173.7-62-97.5000109.5I104 H105 V122 T123 R131 W135 L142 R145I104-F133 HydrophobicContact CD1-CD1 4.39Å; I104-F133 HydrophobicContact CD1-CE1 4.48Å; I104-F133 HydrophobicContact CG2-CD1 3.84Å; I104-F133 HydrophobicContact CG2-CD2 4.09Å; I104-F133 HydrophobicContact CG2-CE1 3.35Å; I104-F133 HydrophobicContact CG2-CE2 3.61Å; I104-F133 HydrophobicContact CG2-CG 4.19Å; I104-F133 HydrophobicContact CG2-CZ 3.22Å; H105-F133 AromaticContact CE1-CD2 3.29Å; H105-F133 WeakPolarHBondContact CE1-CD2 3.44Å; H105-F133 AromaticContact CE1-CE2 3.58Å; H105-F133 AromaticContact ND1-CD2 3.93Å; H105-F133 AromaticContact ND1-CE2 3.75Å; H105-F133 AromaticContact NE2-CD2 3.9Å; V122-F133 WeakPolarHBondContact CA-O 3.32Å; T123-F133 PolarHBondContact N-O 3.27Å; T123-F133 PolarHBondContact O-N 2.83Å; R131-F133 HydrophobicContact CB-CD2 4.31Å; R131-F133 HydrophobicContact CB-CE2 3.56Å; R131-F133 HydrophobicContact CB-CZ 4.02Å; F133-W135 HydrophobicContact CB-CZ2 4.49Å; F133-L142 HydrophobicContact CB-CD1 3.78Å; F133-L142 HydrophobicContact CD1-CD1 3.68Å; F133-L142 HydrophobicContact CD1-CD2 4.05Å; F133-L142 HydrophobicContact CE1-CD2 4.49Å; F133-L142 HydrophobicContact CG-CD1 4.21Å; F133-R145 HydrophobicContact CD1-CB 3.45Å; F133-R145 VanDerWaalsContact CD1-CB 3.45Å; F133-R145 HydrophobicContact CD1-CG 4.47Å; F133-R145 HydrophobicContact CE1-CB 3.56Å; F133-R145 HydrophobicContact CE1-CG 4.2Å; F133-R145 HydrophobicContact CG-CB 4.2Å; F133-R145 HydrophobicContact CZ-CB 4.4Å
134V97.6Very high94.7Very high0 Ų048 Ų480%023%0.233CC..EExtended strand (participates in β ladder)trans-116.1126.7176.2-176.60000108V122 I143 C144 F167 F180 I185V122-V134 HydrophobicContact CG2-CG1 4.41Å; V122-V134 HydrophobicContact CG2-CG2 3.96Å; V134-I143 HydrophobicContact CG1-CD1 4.24Å; V134-I143 WeakPolarHBondContact O-CB 3.43Å; V134-I143 PolarHBondContact O-N 3.34Å; V134-C144 PolarHBondContact N-O 2.99Å; V134-C144 PolarHBondContact O-N 3.34Å; V134-F167 HydrophobicContact CG2-CE1 4.46Å; V134-F180 HydrophobicContact CG1-CE2 4.31Å; V134-I185 HydrophobicContact CG2-CD1 4.17Å; V134-I185 HydrophobicContact CG2-CG2 3.59Å
135W97.8Very high94.5Very high15 Ų1555.6 Ų55.66%0.05726%0.261CS..EExtended strand (participates in β ladder)trans-117.7146.5-174.7-57.790.5000110.5L102 I104 Y120 L121 T123 F133 Q141 L142L102-W135 HydrophobicContact CB-CH2 3.94Å; L102-W135 HydrophobicContact CB-CZ2 3.98Å; L102-W135 HydrophobicContact CB-CZ3 4.49Å; L102-W135 HydrophobicContact CD1-CD2 3.73Å; L102-W135 HydrophobicContact CD1-CE3 4.03Å; L102-W135 HydrophobicContact CD1-CG 3.99Å; L102-W135 HydrophobicContact CD1-CH2 4.36Å; L102-W135 HydrophobicContact CD1-CZ2 4.16Å; L102-W135 HydrophobicContact CD1-CZ3 4.36Å; L102-W135 HydrophobicContact CD2-CD2 4.47Å; L102-W135 HydrophobicContact CD2-CE3 3.93Å; L102-W135 HydrophobicContact CD2-CH2 3.98Å; L102-W135 HydrophobicContact CD2-CZ3 3.68Å; L102-W135 HydrophobicContact CG-CH2 4.31Å; L102-W135 HydrophobicContact CG-CZ2 4.47Å; L102-W135 HydrophobicContact CG-CZ3 4.39Å; I104-W135 HydrophobicContact CB-CH2 4.5Å; I104-W135 HydrophobicContact CB-CZ2 4.17Å; I104-W135 HydrophobicContact CD1-CH2 3.08Å; I104-W135 HydrophobicContact CD1-CZ2 3.35Å; I104-W135 HydrophobicContact CD1-CZ3 4.14Å; I104-W135 HydrophobicContact CG1-CH2 3.58Å; I104-W135 HydrophobicContact CG1-CZ2 3.74Å; Y120-W135 CarbonylContact C-O 3.56Å; Y120-W135 WeakPolarHBondContact CA-O 3.13Å; L121-W135 HydrophobicContact CB-CB 4.39Å; L121-W135 PolarHBondContact N-O 3.09Å; L121-W135 PolarHBondContact O-N 3.37Å; T123-W135 PolarHBondContact OG1-NE1 2.86Å; T123-W135 VanDerWaalsContact OG1-NE1 3.1Å; F133-W135 HydrophobicContact CB-CZ2 4.49Å; W135-Q141 WeakPolarHBondContact CA-O 3.32Å; W135-L142 HydrophobicContact CD2-CB 4.47Å; W135-L142 HydrophobicContact CD2-CD1 4Å; W135-L142 VanDerWaalsContact CE3-CA 3.49Å; W135-L142 HydrophobicContact CE3-CB 3.78Å; W135-L142 HydrophobicContact CE3-CD1 4.16Å; W135-L142 HydrophobicContact CH2-CB 4.22Å; W135-L142 HydrophobicContact CH2-CD1 4.4Å; W135-L142 HydrophobicContact CZ2-CD1 4.18Å; W135-L142 HydrophobicContact CZ3-CB 3.62Å; W135-L142 HydrophobicContact CZ3-CD1 4.34Å
136N97.1Very high94.5Very high21 Ų2158.1 Ų58.111%0.11228%0.275CS..EExtended strand (participates in β ladder)trans-88.1121.5163.1-175.2-47.1000108.5K119 E138 T139 K140 Q141 I143K119-N136 WeakPolarHBondContact O-CA 3.01Å; N136-E138 WeakPolarHBondContact OD1-CB 3.41Å; N136-E138 PolarHBondContact OD1-N 3.33Å; N136-T139 VanDerWaalsContact CB-OG1 3.25Å; N136-T139 WeakPolarHBondContact CB-OG1 3.49Å; N136-T139 VanDerWaalsContact CG-OG1 3.23Å; N136-T139 PolarHBondContact OD1-N 2.79Å; N136-T139 PolarHBondContact OD1-OG1 3.44Å; N136-K140 VanDerWaalsContact O-CA 3.28Å; N136-K140 WeakPolarHBondContact O-CA 3.4Å; N136-K140 PolarHBondContact O-N 2.92Å; N136-Q141 PolarHBondContact N-O 2.89Å; N136-Q141 PolarHBondContact O-N 3.37Å; N136-I143 HydrophobicContact CB-CD1 4.02Å; N136-I143 HydrophobicContact CB-CG1 4.21Å
137V97Very high94.6Very high2 Ų264.8 Ų64.81%0.01230%0.303CS..THydrogen-bonded Turntrans-71-36.7-175.5179.50000111.4Y73 I90 H99 F114 E118 K119 L121Y73-V137 HydrophobicContact CD1-CG1 4.5Å; Y73-V137 HydrophobicContact CD2-CG1 4.13Å; Y73-V137 HydrophobicContact CE1-CG1 4.5Å; Y73-V137 HydrophobicContact CE2-CG1 4.12Å; Y73-V137 HydrophobicContact CG-CG1 4.32Å; I90-V137 HydrophobicContact CD1-CG1 4.32Å; I90-V137 HydrophobicContact CD1-CG2 4.38Å; I90-V137 HydrophobicContact CG2-CG1 4.38Å; H99-V137 PolarHBondContact NE2-O 2.65Å; F114-V137 HydrophobicContact CD1-CG2 4.2Å; F114-V137 HydrophobicContact CE1-CG1 4.47Å; F114-V137 HydrophobicContact CE1-CG2 3.93Å; E118-V137 WeakPolarHBondContact O-CB 3.37Å; E118-V137 WeakPolarHBondContact O-CG2 3.37Å; K119-V137 PolarHBondContact O-N 2.65Å; L121-V137 HydrophobicContact CB-CG2 3.85Å
138E95.4Very high94.8Very high150 Ų15057.3 Ų57.370%0.70127%0.271SS*.THydrogen-bonded Turntrans-73.8-52.3-178.9-175.1-179.7-171.700111.4N136 K140N136-E138 WeakPolarHBondContact OD1-CB 3.41Å; N136-E138 PolarHBondContact OD1-N 3.33Å; E138-K140 VanDerWaalsContact C-N 3.28Å; E138-K140 PolarHBondContact O-N 2.84Å
139T96.1Very high95Very high72 Ų7253.8 Ų53.844%0.44225%0.253SS..THydrogen-bonded Turntrans-80.1-11.8-178.170.80000113.2N136 Q141N136-T139 VanDerWaalsContact CB-OG1 3.25Å; N136-T139 WeakPolarHBondContact CB-OG1 3.49Å; N136-T139 VanDerWaalsContact CG-OG1 3.23Å; N136-T139 PolarHBondContact OD1-N 2.79Å; N136-T139 PolarHBondContact OD1-OG1 3.44Å; T139-Q141 PolarHBondContact O-N 2.92Å
140K95.8Very high94.8Very high96 Ų9657.1 Ų57.142%0.41728%0.282SS..  trans63.322.6-179.9-51.1175.1-176.1-162.90113.5H99 V100 N136 E138H99-K140 WeakPolarHBondContact CE1-CE 3.28Å; H99-K140 PolarHBondContact O-NZ 3.46Å; V100-K140 HydrophobicContact CB-CB 4.47Å; V100-K140 HydrophobicContact CB-CD 4.08Å; V100-K140 HydrophobicContact CB-CG 4.2Å; V100-K140 HydrophobicContact CG1-CG 4.44Å; V100-K140 HydrophobicContact CG2-CB 4.13Å; V100-K140 HydrophobicContact CG2-CD 4.27Å; V100-K140 HydrophobicContact CG2-CG 4.37Å; N136-K140 VanDerWaalsContact O-CA 3.28Å; N136-K140 WeakPolarHBondContact O-CA 3.4Å; N136-K140 PolarHBondContact O-N 2.92Å; E138-K140 VanDerWaalsContact C-N 3.28Å; E138-K140 PolarHBondContact O-N 2.84Å
141Q95.3Very high94.6Very high132 Ų13261.8 Ų61.862%0.61730%0.301SS*.  trans-106.7146.8-175.3-70.9-177.9-9.300112.6W135 N136 T139W135-Q141 WeakPolarHBondContact CA-O 3.32Å; N136-Q141 PolarHBondContact N-O 2.89Å; N136-Q141 PolarHBondContact O-N 3.37Å; T139-Q141 PolarHBondContact O-N 2.92Å
142L96.8Very high94.2Very high65 Ų6558.9 Ų58.934%0.3430%0.302SS..EExtended strand (participates in β ladder)trans-73125.8169178.166.3000109.3I104 F133 W135I104-L142 HydrophobicContact CD1-CD2 4.01Å; F133-L142 HydrophobicContact CB-CD1 3.78Å; F133-L142 HydrophobicContact CD1-CD1 3.68Å; F133-L142 HydrophobicContact CD1-CD2 4.05Å; F133-L142 HydrophobicContact CE1-CD2 4.49Å; F133-L142 HydrophobicContact CG-CD1 4.21Å; W135-L142 HydrophobicContact CD2-CB 4.47Å; W135-L142 HydrophobicContact CD2-CD1 4Å; W135-L142 VanDerWaalsContact CE3-CA 3.49Å; W135-L142 HydrophobicContact CE3-CB 3.78Å; W135-L142 HydrophobicContact CE3-CD1 4.16Å; W135-L142 HydrophobicContact CH2-CB 4.22Å; W135-L142 HydrophobicContact CH2-CD1 4.4Å; W135-L142 HydrophobicContact CZ2-CD1 4.18Å; W135-L142 HydrophobicContact CZ3-CB 3.62Å; W135-L142 HydrophobicContact CZ3-CD1 4.34Å
143I96.6Very high93.9Very high40 Ų4060.5 Ų60.521%0.20531%0.31CS..EExtended strand (participates in β ladder)trans-89.1-59.5178-54.6179.6000109.8Y120 V134 N136 F180 E183Y120-I143 HydrophobicContact CD1-CD1 3.38Å; Y120-I143 HydrophobicContact CE1-CD1 3.28Å; V134-I143 HydrophobicContact CG1-CD1 4.24Å; V134-I143 WeakPolarHBondContact O-CB 3.43Å; V134-I143 PolarHBondContact O-N 3.34Å; N136-I143 HydrophobicContact CB-CD1 4.02Å; N136-I143 HydrophobicContact CB-CG1 4.21Å; I143-F180 HydrophobicContact CD1-CZ 4.05Å; I143-F180 HydrophobicContact CG2-CE2 4.02Å; I143-F180 HydrophobicContact CG2-CZ 3.97Å; I143-E183 HydrophobicContact CG2-CB 3.59Å; I143-E183 HydrophobicContact CG2-CG 4.01Å
144C95.3Very high93.8Very high20 Ų2060.6 Ų60.614%0.13531%0.311CS..EExtended strand (participates in β ladder)trans-153.7167.4-177.565.20000112.3V134 E183V134-C144 PolarHBondContact N-O 2.99Å; V134-C144 PolarHBondContact O-N 3.34Å; C144-E183 WeakPolarHBondContact CB-O 3.45Å
145R94.4Very high93.6Very high160 Ų16061.9 Ų61.960%0.60432%0.318SS*.EExtended strand (participates in β ladder)trans-143.9148.2179.567.9-175.8180-173.4-2.4111.2I132 F133I132-R145 VanDerWaalsContact O-CA 3.25Å; I132-R145 WeakPolarHBondContact O-CA 2.87Å; F133-R145 HydrophobicContact CD1-CB 3.45Å; F133-R145 VanDerWaalsContact CD1-CB 3.45Å; F133-R145 HydrophobicContact CD1-CG 4.47Å; F133-R145 HydrophobicContact CE1-CB 3.56Å; F133-R145 HydrophobicContact CE1-CG 4.2Å; F133-R145 HydrophobicContact CG-CB 4.2Å; F133-R145 HydrophobicContact CZ-CB 4.4Å
146N96.1Very high93.5Very high55 Ų5561.3 Ų61.329%0.29432%0.316SS..EExtended strand (participates in β ladder)trans-148160.9174.3-154.4-36.1000110.5R131 I132 A148 W178 I185R131-N146 WeakPolarHBondContact CA-O 3.42Å; I132-N146 PolarHBondContact N-O 2.59Å; I132-N146 PolarHBondContact O-N 2.98Å; N146-A148 PolarHBondContact O-N 2.77Å; N146-W178 HydrophobicContact CB-CH2 4.18Å; N146-W178 HydrophobicContact CB-CZ3 3.79Å; N146-I185 HydrophobicContact CB-CD1 3.6Å; N146-I185 HydrophobicContact CB-CG1 3.85Å
147K94.4Very high93.6Very high141 Ų14160.3 Ų60.361%0.61331%0.31SS*.EExtended strand (participates in β ladder)trans-67.3125.2170.8-74.5-174.5176.1-178.70108.9S149 R176 W178K147-S149 PolarHBondContact O-N 2.85Å; K147-R176 PolarHBondContact O-NH1 3.08Å; K147-R176 VanDerWaalsContact O-NH1 3.09Å; K147-W178 WeakPolarHBondContact O-CH2 3.46Å
148A92.4Very high93.6Very high0 Ų062.7 Ų62.70%032%0.321CS..SBendtrans-60.8-31.9-177.400000112.3L124 C130 I132 N146 C154L124-A148 HydrophobicContact CD1-CB 3.55Å; C130-A148 WeakPolarHBondContact O-CB 3.43Å; C130-A148 PolarHBondContact O-N 3.16Å; I132-A148 HydrophobicContact CD1-CB 3.99Å; I132-A148 HydrophobicContact CG1-CB 3.77Å; N146-A148 PolarHBondContact O-N 2.77Å; A148-C154 HydrophobicContact CB-CB 3.79Å
149S90.9Very high93.6Very high11 Ų1155.9 Ų55.98%0.07729%0.289CS..  trans-143.9154.8178.7-175.90000112.1K147 Q151 T174K147-S149 PolarHBondContact O-N 2.85Å; S149-Q151 VanDerWaalsContact OG-C 3.3Å; S149-Q151 PolarHBondContact OG-N 3.39Å; S149-Q151 PolarHBondContact OG-O 2.83Å; S149-T174 WeakPolarHBondContact OG-CB 3.49Å; S149-T174 PolarHBondContact OG-OG1 3.01Å
150A85.1Confident93.7Very high84 Ų8452.5 Ų52.569%0.69427%0.269SS*.SBendtrans-83.5-31.5165.800000111.9R176A150-R176 VanDerWaalsContact CB-NH2 3.29Å
151Q83.7Confident93.5Very high130 Ų13050.6 Ų50.661%0.60726%0.26SS*.SBendtrans-143.9137.1-179.7-173.917612.100111.1S149 L173S149-Q151 VanDerWaalsContact OG-C 3.3Å; S149-Q151 PolarHBondContact OG-N 3.39Å; S149-Q151 PolarHBondContact OG-O 2.83Å; Q151-L173 HydrophobicContact CG-CD1 4.31Å
152G86.8Confident93.4Very high40 Ų4048 Ų4841%0.41225%0.253SS..SBendtrans74.9-159.6-174.900000112.3S172G152-S172 WeakPolarHBondContact CA-O 3.07Å
153H90.3Very high93.3Very high35 Ų3547.4 Ų47.416%0.16225%0.251CS..  trans-133.3144.3-175.162.3-84.9000111.1K127 G171 S172 Y198K127-H153 HydrophobicContact CG-CB 4.17Å; H153-G171 CarbonylContact O-C 3.56Å; H153-G171 WeakPolarHBondContact O-CA 3.34Å; H153-S172 PolarHBondContact N-O 2.95Å; H153-S172 PolarHBondContact O-N 3.49Å; H153-Y198 AromaticContact NE2-CE2 3.84Å; H153-Y198 PolarHBondContact NE2-OH 2.91Å
154C94.1Very high93.2Very high4 Ų447.5 Ų47.53%0.02725%0.252CS..EExtended strand (participates in β ladder)trans-89150.5179.2-164.10000110.1L124 A148 V156 S169 G170 T174L124-C154 HydrophobicContact CD1-CB 3.82Å; L124-C154 HydrophobicContact CD2-CB 3.88Å; L124-C154 HydrophobicContact CG-CB 4.48Å; A148-C154 HydrophobicContact CB-CB 3.79Å; C154-V156 PolarHBondContact SG-O 2.79Å; C154-V156 VanDerWaalsContact SG-O 3.41Å; C154-S169 WeakPolarHBondContact SG-CB 3.39Å; C154-G170 PolarHBondContact SG-N 2.7Å; C154-G170 PolarHBondContact SG-O 3.37Å; C154-T174 HydrophobicContact CB-CG2 4.39Å
155L94.5Very high93.2Very high27 Ų2749.8 Ų49.814%0.14127%0.265CS..EExtended strand (participates in β ladder)trans-127.3-34.9-175.4-60.8166.8000113E110 G170 Y198E110-L155 HydrophobicContact CG-CD2 4.43Å; E110-L155 WeakPolarHBondContact CG-O 3.48Å; L155-G170 PolarHBondContact N-O 2.63Å; L155-Y198 HydrophobicContact CD1-CD1 3.83Å; L155-Y198 HydrophobicContact CD1-CE1 3Å; L155-Y198 HydrophobicContact CD1-CE2 3.96Å; L155-Y198 WeakPolarHBondContact CD1-OH 3.42Å; L155-Y198 WeakPolarHBondContact CD2-OH 3.3Å; L155-Y198 HydrophobicContact CG-CE1 4.4Å
156V96.4Very high93.3Very high3 Ų342.7 Ų42.72%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-128.6143.2-175.563.20000109.1F23 C154 S169 G170 V199 I202F23-V156 HydrophobicContact CE2-CG2 4.36Å; C154-V156 PolarHBondContact SG-O 2.79Å; C154-V156 VanDerWaalsContact SG-O 3.41Å; V156-S169 VanDerWaalsContact O-CA 3.28Å; V156-S169 WeakPolarHBondContact O-CA 3.22Å; V156-G170 PolarHBondContact N-O 3.05Å; V156-G170 VanDerWaalsContact N-O 3.08Å; V156-G170 PolarHBondContact O-N 2.77Å; V156-V199 HydrophobicContact CG1-CG1 4.46Å; V156-I202 HydrophobicContact CG1-CB 4.43Å; V156-I202 HydrophobicContact CG1-CD1 3.9Å; V156-I202 HydrophobicContact CG1-CG1 3.82Å
157V97.4Very high93.4Very high0 Ų040.1 Ų40.10%023%0.225CC..EExtended strand (participates in β ladder)trans-130.7132.5166.4700000107.2S111 A113 V122 L124 F167 A168S111-V157 PolarHBondContact OG-N 2.87Å; A113-V157 HydrophobicContact CB-CG1 4.17Å; V122-V157 HydrophobicContact CG1-CG1 4.21Å; V122-V157 HydrophobicContact CG1-CG2 3.65Å; L124-V157 HydrophobicContact CB-CG1 4.27Å; V157-F167 HydrophobicContact CG2-CD2 3.61Å; V157-F167 HydrophobicContact CG2-CE2 4.04Å; V157-A168 VanDerWaalsContact CA-O 3.32Å; V157-A168 WeakPolarHBondContact CA-O 3.47Å; V157-A168 WeakPolarHBondContact CG2-O 3.39Å
158E97.4Very high93.5Very high51 Ų5133.4 Ų33.424%0.23820%0.196CC..EExtended strand (participates in β ladder)trans-134.3131.3-180-168.668.3-166.200108.4F167 A168 I202E158-F167 WeakPolarHBondContact O-CA 3.46Å; E158-F167 WeakPolarHBondContact O-CB 3.28Å; E158-A168 PolarHBondContact N-O 2.89Å; E158-A168 PolarHBondContact O-N 3.17Å; E158-I202 HydrophobicContact CB-CB 4.17Å; E158-I202 HydrophobicContact CB-CG2 4.07Å
159Y96.9Very high93.8Very high7 Ų733.4 Ų33.43%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-80.7152.7175.9-129-75.4000110.3F114 S115 V122 D163 D164 M166 F167F114-Y159 WeakPolarHBondContact O-CB 3.35Å; S115-Y159 VanDerWaalsContact CB-CZ 3.44Å; V122-Y159 HydrophobicContact CB-CE2 4.46Å; V122-Y159 HydrophobicContact CG2-CD2 4.12Å; V122-Y159 HydrophobicContact CG2-CE2 3.58Å; Y159-D163 WeakPolarHBondContact CE1-O 3.38Å; Y159-D164 WeakPolarHBondContact CE1-O 3.22Å; Y159-D164 PolarHBondContact OH-O 2.83Å; Y159-M166 WeakPolarHBondContact CD1-O 3.19Å; Y159-M166 VanDerWaalsContact CE1-O 3.3Å; Y159-M166 WeakPolarHBondContact CE1-O 3.3Å; Y159-F167 HydrophobicContact CD1-CB 4.18Å; Y159-F167 HydrophobicContact CD2-CB 3.99Å; Y159-F167 HydrophobicContact CE1-CB 4.41Å; Y159-F167 HydrophobicContact CE2-CB 4.27Å; Y159-F167 HydrophobicContact CE2-CD1 4.25Å; Y159-F167 HydrophobicContact CG-CB 3.94Å
160S96.2Very high94Very high2 Ų232.9 Ų32.91%0.01419%0.192CC..  trans-54149.2160.4168.30000109.5P116 T162 D163 M166 N208P116-S160 VanDerWaalsContact CD-O 3.25Å; P116-S160 WeakPolarHBondContact CD-O 3.46Å; P116-S160 WeakPolarHBondContact CG-O 3.45Å; S160-T162 VanDerWaalsContact C-N 3.33Å; S160-T162 PolarHBondContact OG-N 2.81Å; S160-D163 WeakPolarHBondContact CB-O 3.28Å; S160-D163 PolarHBondContact OG-N 3.07Å; S160-M166 WeakPolarHBondContact CB-O 3.4Å; S160-M166 PolarHBondContact N-O 3.06Å; S160-N208 WeakPolarHBondContact CB-OD1 3.26Å; S160-N208 VanDerWaalsContact OG-CG 3.24Å; S160-N208 PolarHBondContact OG-ND2 2.98Å; S160-N208 VanDerWaalsContact OG-ND2 3.16Å; S160-N208 PolarHBondContact OG-OD1 2.57Å
161K92.4Very high94.5Very high55 Ų5528.9 Ų28.924%0.23916%0.159CC..SBendtrans-80.3-15.5177-66.4173.4174.6-172.20113.6K69 D206K69-K161 PolarHBondContact NZ-O 2.83Å; K69-K161 VanDerWaalsContact NZ-O 3.1Å; K161-D206 WeakPolarHBondContact CD-OD1 3.24Å; K161-D206 IonicContact NZ-OD1 3.18Å; K161-D206 PolarHBondContact NZ-OD1 2.84Å
162T94.3Very high94.9Very high77 Ų7723.9 Ų23.947%0.47214%0.139SC..SBendtrans-131.1-18-170.254.20000114.1S160 D206 N208S160-T162 VanDerWaalsContact C-N 3.33Å; S160-T162 PolarHBondContact OG-N 2.81Å; T162-D206 HydrophobicContact CG2-CB 4.42Å; T162-D206 WeakPolarHBondContact CG2-O 3.44Å; T162-D206 PolarHBondContact OG1-O 3.43Å; T162-N208 PolarHBondContact OG1-ND2 2.95Å
163D94.4Very high94.9Very high53 Ų5325.9 Ų25.928%0.28314%0.14SC..  trans-121.6116-175.7-174.5-0.4000112.4Y159 S160 T165 M166 N208Y159-D163 WeakPolarHBondContact CE1-O 3.38Å; S160-D163 WeakPolarHBondContact CB-O 3.28Å; S160-D163 PolarHBondContact OG-N 3.07Å; D163-T165 VanDerWaalsContact CG-OG1 3.23Å; D163-T165 PolarHBondContact O-N 2.74Å; D163-T165 WeakPolarHBondContact OD1-CA 3.37Å; D163-T165 WeakPolarHBondContact OD1-CB 3.33Å; D163-T165 PolarHBondContact OD1-N 2.92Å; D163-T165 PolarHBondContact OD1-OG1 2.86Å; D163-T165 PolarHBondContact OD2-OG1 3.21Å; D163-T165 VanDerWaalsContact OD2-OG1 3.12Å; D163-M166 PolarHBondContact O-N 2.9Å; D163-N208 WeakPolarHBondContact CB-ND2 3.41Å
164D94.7Very high95Very high43 Ų4324.5 Ų24.523%0.2313%0.134CC..THydrogen-bonded Turntrans-70.2-9175-75-31.2000113.7S115 P116 S117 Y120 Y159S115-D164 WeakPolarHBondContact CB-OD1 3.47Å; S115-D164 PolarHBondContact OG-OD1 3.13Å; P116-D164 VanDerWaalsContact CD-OD1 3.25Å; P116-D164 WeakPolarHBondContact CD-OD1 3.24Å; S117-D164 WeakPolarHBondContact CB-OD2 3.47Å; S117-D164 PolarHBondContact N-OD1 3.46Å; S117-D164 PolarHBondContact OG-OD1 3.24Å; S117-D164 PolarHBondContact OG-OD2 2.95Å; Y120-D164 HydrophobicContact CD2-CB 4.5Å; Y159-D164 WeakPolarHBondContact CE1-O 3.22Å; Y159-D164 PolarHBondContact OH-O 2.83Å
165T94.8Very high95Very high68 Ų6824.7 Ų24.742%0.41714%0.135SC..THydrogen-bonded Turntrans-96.1-1.1-178.472.50000112.9D163 E179 F180D163-T165 VanDerWaalsContact CG-OG1 3.23Å; D163-T165 PolarHBondContact O-N 2.74Å; D163-T165 WeakPolarHBondContact OD1-CA 3.37Å; D163-T165 WeakPolarHBondContact OD1-CB 3.33Å; D163-T165 PolarHBondContact OD1-N 2.92Å; D163-T165 PolarHBondContact OD1-OG1 2.86Å; D163-T165 PolarHBondContact OD2-OG1 3.21Å; D163-T165 VanDerWaalsContact OD2-OG1 3.12Å; T165-E179 CarbonylContact O-C 3.56Å; T165-E179 WeakPolarHBondContact O-CA 3.32Å; T165-F180 PolarHBondContact O-N 3.1Å
166M96Very high95.1Very high11 Ų1124.4 Ų24.45%0.05413%0.131CC..EExtended strand (participates in β ladder)trans-135.5131.3-173.9-174.3-77.4-160.200112.3Y159 S160 D163 V177 W178 I204 V225Y159-M166 WeakPolarHBondContact CD1-O 3.19Å; Y159-M166 VanDerWaalsContact CE1-O 3.3Å; Y159-M166 WeakPolarHBondContact CE1-O 3.3Å; S160-M166 WeakPolarHBondContact CB-O 3.4Å; S160-M166 PolarHBondContact N-O 3.06Å; D163-M166 PolarHBondContact O-N 2.9Å; M166-V177 HydrophobicContact CE-CG1 3.9Å; M166-V177 HydrophobicContact CE-CG2 4.28Å; M166-V177 HydrophobicContact CG-CG1 4.12Å; M166-W178 WeakPolarHBondContact CA-O 3.5Å; M166-I204 HydrophobicContact CE-CD1 3.95Å; M166-I204 HydrophobicContact CE-CG1 4.49Å; M166-I204 HydrophobicContact CE-CG2 4.39Å; M166-I204 HydrophobicContact SD-CD1 3.83Å; M166-V225 HydrophobicContact CE-CB 4.43Å; M166-V225 HydrophobicContact CE-CG1 3.48Å; M166-V225 VanDerWaalsContact CE-CG1 3.48Å; M166-V225 HydrophobicContact CE-CG2 4.04Å
167F97.6Very high95.1Very high0 Ų024.3 Ų24.30%013%0.131CC..EExtended strand (participates in β ladder)trans-143.3166.6165.666.2-87.6000110.4V122 I132 V134 V157 E158 Y159 W178 I185V122-F167 HydrophobicContact CG1-CD2 4.31Å; V122-F167 HydrophobicContact CG1-CE2 4.02Å; V122-F167 HydrophobicContact CG1-CZ 4.34Å; V122-F167 HydrophobicContact CG2-CD1 4.17Å; V122-F167 HydrophobicContact CG2-CE1 4.1Å; V122-F167 HydrophobicContact CG2-CG 4.41Å; V122-F167 HydrophobicContact CG2-CZ 4.27Å; I132-F167 HydrophobicContact CD1-CE2 4.28Å; I132-F167 HydrophobicContact CG2-CE2 4.1Å; I132-F167 HydrophobicContact CG2-CZ 4.13Å; V134-F167 HydrophobicContact CG2-CE1 4.46Å; V157-F167 HydrophobicContact CG2-CD2 3.61Å; V157-F167 HydrophobicContact CG2-CE2 4.04Å; E158-F167 WeakPolarHBondContact O-CA 3.46Å; E158-F167 WeakPolarHBondContact O-CB 3.28Å; Y159-F167 HydrophobicContact CD1-CB 4.18Å; Y159-F167 HydrophobicContact CD2-CB 3.99Å; Y159-F167 HydrophobicContact CE1-CB 4.41Å; Y159-F167 HydrophobicContact CE2-CB 4.27Å; Y159-F167 HydrophobicContact CE2-CD1 4.25Å; Y159-F167 HydrophobicContact CG-CB 3.94Å; F167-W178 HydrophobicContact CD1-CB 3.84Å; F167-W178 HydrophobicContact CD2-CB 3.83Å; F167-W178 AromaticContact CD2-CD1 3.59Å; F167-W178 AromaticContact CD2-CG 3.82Å; F167-W178 HydrophobicContact CD2-CG 3.82Å; F167-W178 HydrophobicContact CE1-CB 3.52Å; F167-W178 HydrophobicContact CE1-CG 4.18Å; F167-W178 HydrophobicContact CE2-CB 3.51Å; F167-W178 AromaticContact CE2-CD1 3.32Å; F167-W178 AromaticContact CE2-CD2 3.86Å; F167-W178 HydrophobicContact CE2-CD2 3.86Å; F167-W178 AromaticContact CE2-CG 3.27Å; F167-W178 HydrophobicContact CE2-CG 3.27Å; F167-W178 AromaticContact CE2-NE1 3.91Å; F167-W178 HydrophobicContact CG-CB 4Å; F167-W178 HydrophobicContact CG-CG 4.47Å; F167-W178 HydrophobicContact CZ-CB 3.34Å; F167-W178 AromaticContact CZ-CD2 3.93Å; F167-W178 HydrophobicContact CZ-CD2 3.93Å; F167-W178 HydrophobicContact CZ-CE3 4.35Å; F167-W178 AromaticContact CZ-CG 3.48Å; F167-W178 HydrophobicContact CZ-CG 3.48Å; F167-W178 VanDerWaalsContact CZ-CG 3.48Å; F167-W178 PolarHBondContact N-O 3.41Å; F167-W178 VanDerWaalsContact N-O 3.17Å; F167-W178 WeakPolarHBondContact O-CB 3.1Å; F167-W178 PolarHBondContact O-N 2.83Å; F167-I185 HydrophobicContact CE1-CG2 3.74Å; F167-I185 HydrophobicContact CZ-CB 4.48Å; F167-I185 HydrophobicContact CZ-CD1 4.37Å; F167-I185 HydrophobicContact CZ-CG2 3.96Å
168A97.9Very high95.1Very high0 Ų024.3 Ų24.30%013%0.131CC..EExtended strand (participates in β ladder)trans-125.9154.4178.600000111.6V157 E158 R176 I202 I204 M211V157-A168 VanDerWaalsContact CA-O 3.32Å; V157-A168 WeakPolarHBondContact CA-O 3.47Å; V157-A168 WeakPolarHBondContact CG2-O 3.39Å; E158-A168 PolarHBondContact N-O 2.89Å; E158-A168 PolarHBondContact O-N 3.17Å; A168-R176 CarbonylContact C-O 3.57Å; A168-R176 VanDerWaalsContact CA-O 3.25Å; A168-R176 WeakPolarHBondContact CA-O 3.27Å; A168-I202 HydrophobicContact CB-CD1 4.32Å; A168-I202 HydrophobicContact CB-CG2 4.19Å; A168-I204 HydrophobicContact CB-CD1 4.06Å; A168-M211 HydrophobicContact CB-CE 4.5Å; A168-M211 HydrophobicContact CB-SD 3.28Å; A168-M211 WeakPolarHBondContact CB-SD 3.13Å
169S97.5Very high95.1Very high0 Ų025.4 Ų25.40%014%0.136CC..EExtended strand (participates in β ladder)trans-137143.6175.678.20000110.9C154 V156 L175 R176 W178C154-S169 WeakPolarHBondContact SG-CB 3.39Å; V156-S169 VanDerWaalsContact O-CA 3.28Å; V156-S169 WeakPolarHBondContact O-CA 3.22Å; S169-L175 WeakPolarHBondContact O-CA 3.21Å; S169-R176 PolarHBondContact N-O 3.41Å; S169-R176 PolarHBondContact O-N 2.92Å; S169-W178 PolarHBondContact OG-NE1 2.93Å
170G95.9Very high94.9Very high0 Ų025.8 Ų25.80%014%0.138CC..EExtended strand (participates in β ladder)trans-146.4157-178.100000113.2C154 L155 V156 T174C154-G170 PolarHBondContact SG-N 2.7Å; C154-G170 PolarHBondContact SG-O 3.37Å; L155-G170 PolarHBondContact N-O 2.63Å; V156-G170 PolarHBondContact N-O 3.05Å; V156-G170 VanDerWaalsContact N-O 3.08Å; V156-G170 PolarHBondContact O-N 2.77Å; G170-T174 WeakPolarHBondContact CA-O 3.43Å
171G94.6Very high94.7Very high0 Ų028.9 Ų28.90%016%0.156CC..EExtended strand (participates in β ladder)trans179.7-139.1175.200000112.5H153 L173 T174 V199H153-G171 CarbonylContact O-C 3.56Å; H153-G171 WeakPolarHBondContact O-CA 3.34Å; G171-L173 PolarHBondContact O-N 3.24Å; G171-T174 PolarHBondContact N-O 3.16Å; G171-V199 WeakPolarHBondContact CA-O 3.32Å; G171-V199 PolarHBondContact O-N 3.02Å
172S92.3Very high94.6Very high26 Ų2633.4 Ų33.418%0.18218%0.183CC..BIsolated β-bridgetrans-76.1115.4176.8-173.30000110.7G152 H153 T174G152-S172 WeakPolarHBondContact CA-O 3.07Å; H153-S172 PolarHBondContact N-O 2.95Å; H153-S172 PolarHBondContact O-N 3.49Å; S172-T174 PolarHBondContact O-N 3.43Å; S172-T174 VanDerWaalsContact O-N 3.17Å
173L86.3Confident94.3Very high82 Ų8236.3 Ų36.343%0.42919%0.191SC..SBendtrans61.917.1175.5-52.5175.4000114.7Q151 G171 K196Q151-L173 HydrophobicContact CG-CD1 4.31Å; G171-L173 PolarHBondContact O-N 3.24Å; L173-K196 HydrophobicContact CD2-CB 3.96Å; L173-K196 HydrophobicContact CD2-CD 4.1Å; L173-K196 HydrophobicContact CD2-CG 4.29Å
174T92.4Very high94.3Very high6 Ų642.5 Ų42.54%0.03721%0.211CC..  trans-141.5137.9-179.8-171.30000110.9S149 C154 G170 G171 S172S149-T174 WeakPolarHBondContact OG-CB 3.49Å; S149-T174 PolarHBondContact OG-OG1 3.01Å; C154-T174 HydrophobicContact CB-CG2 4.39Å; G170-T174 WeakPolarHBondContact CA-O 3.43Å; G171-T174 PolarHBondContact N-O 3.16Å; S172-T174 PolarHBondContact O-N 3.43Å; S172-T174 VanDerWaalsContact O-N 3.17Å
175L95.7Very high94.3Very high8 Ų840.8 Ų40.84%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-152112.9171.1-177.558.7000107.5S169 C190 T192 V199 I202 M211 M221 I223S169-L175 WeakPolarHBondContact O-CA 3.21Å; L175-C190 HydrophobicContact CB-CB 4.26Å; L175-C190 HydrophobicContact CD2-CB 4.17Å; L175-C190 HydrophobicContact CG-CB 3.99Å; L175-C190 WeakPolarHBondContact O-CB 3.4Å; L175-C190 PolarHBondContact O-N 3.2Å; L175-C190 PolarHBondContact O-SG 3.18Å; L175-T192 HydrophobicContact CD2-CG2 4.35Å; L175-V199 HydrophobicContact CD1-CG2 4.42Å; L175-I202 HydrophobicContact CD1-CD1 3.74Å; L175-M211 HydrophobicContact CD1-CE 3.74Å; L175-M211 HydrophobicContact CD1-SD 4.45Å; L175-M211 HydrophobicContact CD2-CE 4.12Å; L175-M211 HydrophobicContact CG-CE 3.96Å; L175-M221 HydrophobicContact CD2-CE 4.24Å; L175-I223 HydrophobicContact CD2-CD1 3.91Å; L175-I223 HydrophobicContact CD2-CG1 3.7Å
176R96.1Very high94.4Very high20 Ų2041.8 Ų41.88%0.07520%0.204CC..EExtended strand (participates in β ladder)trans-127.3143.9-172.2-70.6178174.2-164.2-9.3111.5K147 A150 A168 S169 W178 T188 E189K147-R176 PolarHBondContact O-NH1 3.08Å; K147-R176 VanDerWaalsContact O-NH1 3.09Å; A150-R176 VanDerWaalsContact CB-NH2 3.29Å; A168-R176 CarbonylContact C-O 3.57Å; A168-R176 VanDerWaalsContact CA-O 3.25Å; A168-R176 WeakPolarHBondContact CA-O 3.27Å; S169-R176 PolarHBondContact N-O 3.41Å; S169-R176 PolarHBondContact O-N 2.92Å; R176-W178 HydrophobicContact CB-CZ2 4.32Å; R176-T188 VanDerWaalsContact CA-O 3.28Å; R176-T188 WeakPolarHBondContact CA-O 3.13Å; R176-E189 HydrophobicContact CG-CG 4.42Å; R176-E189 WeakPolarHBondContact CG-OE2 3.4Å; R176-E189 IonicContact CZ-OE1 3.13Å; R176-E189 VanDerWaalsContact NE-CD 3.25Å; R176-E189 IonicContact NE-OE1 3.77Å; R176-E189 PolarHBondContact NE-OE1 3.45Å; R176-E189 IonicContact NE-OE2 2.67Å; R176-E189 IonicContact NH2-OE1 3.22Å; R176-E189 PolarHBondContact NH2-OE1 3.19Å
177V97Very high94.3Very high2 Ų243.7 Ų43.71%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-101135.8161173.60000107.7M166 T188M166-V177 HydrophobicContact CE-CG1 3.9Å; M166-V177 HydrophobicContact CE-CG2 4.28Å; M166-V177 HydrophobicContact CG-CG1 4.12Å; V177-T188 PolarHBondContact N-O 3.1Å; V177-T188 PolarHBondContact O-N 2.96Å
178W97.3Very high94.3Very high0 Ų046 Ų460%023%0.231CC..EExtended strand (participates in β ladder)trans-115.7128.8-178.6-59.285.6000109.2I132 N146 K147 M166 F167 S169 R176 I185 L186 P187I132-W178 HydrophobicContact CD1-CH2 4.27Å; I132-W178 HydrophobicContact CD1-CZ2 3.58Å; N146-W178 HydrophobicContact CB-CH2 4.18Å; N146-W178 HydrophobicContact CB-CZ3 3.79Å; K147-W178 WeakPolarHBondContact O-CH2 3.46Å; M166-W178 WeakPolarHBondContact CA-O 3.5Å; F167-W178 HydrophobicContact CD1-CB 3.84Å; F167-W178 HydrophobicContact CD2-CB 3.83Å; F167-W178 AromaticContact CD2-CD1 3.59Å; F167-W178 AromaticContact CD2-CG 3.82Å; F167-W178 HydrophobicContact CD2-CG 3.82Å; F167-W178 HydrophobicContact CE1-CB 3.52Å; F167-W178 HydrophobicContact CE1-CG 4.18Å; F167-W178 HydrophobicContact CE2-CB 3.51Å; F167-W178 AromaticContact CE2-CD1 3.32Å; F167-W178 AromaticContact CE2-CD2 3.86Å; F167-W178 HydrophobicContact CE2-CD2 3.86Å; F167-W178 AromaticContact CE2-CG 3.27Å; F167-W178 HydrophobicContact CE2-CG 3.27Å; F167-W178 AromaticContact CE2-NE1 3.91Å; F167-W178 HydrophobicContact CG-CB 4Å; F167-W178 HydrophobicContact CG-CG 4.47Å; F167-W178 HydrophobicContact CZ-CB 3.34Å; F167-W178 AromaticContact CZ-CD2 3.93Å; F167-W178 HydrophobicContact CZ-CD2 3.93Å; F167-W178 HydrophobicContact CZ-CE3 4.35Å; F167-W178 AromaticContact CZ-CG 3.48Å; F167-W178 HydrophobicContact CZ-CG 3.48Å; F167-W178 VanDerWaalsContact CZ-CG 3.48Å; F167-W178 PolarHBondContact N-O 3.41Å; F167-W178 VanDerWaalsContact N-O 3.17Å; F167-W178 WeakPolarHBondContact O-CB 3.1Å; F167-W178 PolarHBondContact O-N 2.83Å; S169-W178 PolarHBondContact OG-NE1 2.93Å; R176-W178 HydrophobicContact CB-CZ2 4.32Å; W178-I185 HydrophobicContact CE3-CB 4.05Å; W178-I185 HydrophobicContact CE3-CD1 4.04Å; W178-I185 HydrophobicContact CE3-CG1 4.2Å; W178-I185 HydrophobicContact CZ3-CD1 3.97Å; W178-I185 HydrophobicContact CZ3-CG1 4.25Å; W178-L186 WeakPolarHBondContact CA-O 3.49Å; W178-P187 HydrophobicContact CD2-CB 4.24Å; W178-P187 HydrophobicContact CE3-CB 3.69Å; W178-P187 HydrophobicContact CE3-CG 4.3Å; W178-P187 HydrophobicContact CH2-CB 3.7Å; W178-P187 HydrophobicContact CH2-CG 4.24Å; W178-P187 HydrophobicContact CZ2-CB 4.21Å; W178-P187 HydrophobicContact CZ3-CB 3.42Å; W178-P187 VanDerWaalsContact CZ3-CB 3.42Å; W178-P187 HydrophobicContact CZ3-CG 3.76Å
179E96.2Very high94.1Very high73 Ų7349.8 Ų49.834%0.34125%0.249SC..EExtended strand (participates in β ladder)trans-105.6126.7172.4-70.1166.5-160.700108.7T165 V181 I185 L186 K228T165-E179 CarbonylContact O-C 3.56Å; T165-E179 WeakPolarHBondContact O-CA 3.32Å; E179-V181 HydrophobicContact CB-CG2 4.39Å; E179-I185 CarbonylContact O-C 3.57Å; E179-I185 WeakPolarHBondContact O-CA 3.35Å; E179-L186 HydrophobicContact CB-CB 4.46Å; E179-L186 PolarHBondContact N-O 3.48Å; E179-L186 PolarHBondContact O-N 2.73Å; E179-K228 IonicContact OE1-NZ 3.88Å; E179-K228 PolarHBondContact OE1-NZ 2.94Å
180F93.6Very high94Very high16 Ų1650.3 Ų50.37%0.0725%0.253CS..EExtended strand (participates in β ladder)trans-100103.7178.9-179-119.7000109.5Y120 V134 I143 T165 R184 I185Y120-F180 HydrophobicContact CD1-CE1 4.38Å; Y120-F180 HydrophobicContact CD2-CE1 4.25Å; Y120-F180 AromaticContact CE1-CE1 3.95Å; Y120-F180 HydrophobicContact CE1-CE1 3.95Å; Y120-F180 HydrophobicContact CE1-CZ 4.23Å; Y120-F180 HydrophobicContact CE2-CD1 4.36Å; Y120-F180 AromaticContact CE2-CE1 3.81Å; Y120-F180 HydrophobicContact CE2-CE1 3.81Å; Y120-F180 AromaticContact CZ-CE1 3.64Å; V134-F180 HydrophobicContact CG1-CE2 4.31Å; I143-F180 HydrophobicContact CD1-CZ 4.05Å; I143-F180 HydrophobicContact CG2-CE2 4.02Å; I143-F180 HydrophobicContact CG2-CZ 3.97Å; T165-F180 PolarHBondContact O-N 3.1Å; F180-R184 CarbonylContact C-O 3.49Å; F180-R184 WeakPolarHBondContact CA-O 3.32Å; F180-R184 WeakPolarHBondContact CD2-O 3.46Å; F180-I185 HydrophobicContact CB-CG2 4.32Å; F180-I185 HydrophobicContact CD2-CG2 3.71Å; F180-I185 HydrophobicContact CG-CG2 4.44Å
181V92.8Very high93.8Very high66 Ų6658.3 Ų58.340%0.428%0.283SS..EExtended strand (participates in β ladder)trans-133.4128.9-173.9-1760000109E179 E183 R184E179-V181 HydrophobicContact CB-CG2 4.39Å; V181-E183 VanDerWaalsContact C-N 3.33Å; V181-E183 PolarHBondContact O-N 3.23Å; V181-R184 PolarHBondContact N-O 3.15Å; V181-R184 PolarHBondContact O-N 3.24Å
182N88.6Confident93.5Very high150 Ų15059.8 Ų59.880%0.80229%0.292SS*.THydrogen-bonded Turntrans49.850.5177.9-60.5-25.3000113R184N182-R184 PolarHBondContact O-N 3.37Å; N182-R184 VanDerWaalsContact O-N 3.14Å
183E89.6Confident93.1Very high138 Ų13862.6 Ų62.665%0.64531%0.305SS*.THydrogen-bonded Turntrans60.421.8179.7-60.8-172.3160.900114.5I143 C144 V181I143-E183 HydrophobicContact CG2-CB 3.59Å; I143-E183 HydrophobicContact CG2-CG 4.01Å; C144-E183 WeakPolarHBondContact CB-O 3.45Å; V181-E183 VanDerWaalsContact C-N 3.33Å; V181-E183 PolarHBondContact O-N 3.23Å
184R92.9Very high93Very high183 Ų18367.2 Ų67.269%0.69133%0.326SS*.EExtended strand (participates in β ladder)trans-128.9146176-63.4-179.9-177.8-175.91110.4F180 V181 N182F180-R184 CarbonylContact C-O 3.49Å; F180-R184 WeakPolarHBondContact CA-O 3.32Å; F180-R184 WeakPolarHBondContact CD2-O 3.46Å; V181-R184 PolarHBondContact N-O 3.15Å; V181-R184 PolarHBondContact O-N 3.24Å; N182-R184 PolarHBondContact O-N 3.37Å; N182-R184 VanDerWaalsContact O-N 3.14Å
185I96Very high92.7Very high8 Ų869.6 Ų69.64%0.04134%0.339CS..EExtended strand (participates in β ladder)trans-99.4126.7171.754.6177.2000111.1I132 V134 N146 F167 W178 E179 F180I132-I185 HydrophobicContact CG2-CD1 4.14Å; V134-I185 HydrophobicContact CG2-CD1 4.17Å; V134-I185 HydrophobicContact CG2-CG2 3.59Å; N146-I185 HydrophobicContact CB-CD1 3.6Å; N146-I185 HydrophobicContact CB-CG1 3.85Å; F167-I185 HydrophobicContact CE1-CG2 3.74Å; F167-I185 HydrophobicContact CZ-CB 4.48Å; F167-I185 HydrophobicContact CZ-CD1 4.37Å; F167-I185 HydrophobicContact CZ-CG2 3.96Å; W178-I185 HydrophobicContact CE3-CB 4.05Å; W178-I185 HydrophobicContact CE3-CD1 4.04Å; W178-I185 HydrophobicContact CE3-CG1 4.2Å; W178-I185 HydrophobicContact CZ3-CD1 3.97Å; W178-I185 HydrophobicContact CZ3-CG1 4.25Å; E179-I185 CarbonylContact O-C 3.57Å; E179-I185 WeakPolarHBondContact O-CA 3.35Å; F180-I185 HydrophobicContact CB-CG2 4.32Å; F180-I185 HydrophobicContact CD2-CG2 3.71Å; F180-I185 HydrophobicContact CG-CG2 4.44Å
186L95.6Very high92.3Very high88 Ų8876.9 Ų76.946%0.46137%0.37SS..EExtended strand (participates in β ladder)trans-106.6108.2179.3-61.7176.8000109.2W178 E179W178-L186 WeakPolarHBondContact CA-O 3.49Å; E179-L186 HydrophobicContact CB-CB 4.46Å; E179-L186 PolarHBondContact N-O 3.48Å; E179-L186 PolarHBondContact O-N 2.73Å
187P95.6Very high92Very high52 Ų5279.4 Ų79.434%0.33838%0.38SS..EExtended strand (participates in β ladder)trans-75.9138175.924.6-27.1000111.4W178W178-P187 HydrophobicContact CD2-CB 4.24Å; W178-P187 HydrophobicContact CE3-CB 3.69Å; W178-P187 HydrophobicContact CE3-CG 4.3Å; W178-P187 HydrophobicContact CH2-CB 3.7Å; W178-P187 HydrophobicContact CH2-CG 4.24Å; W178-P187 HydrophobicContact CZ2-CB 4.21Å; W178-P187 HydrophobicContact CZ3-CB 3.42Å; W178-P187 VanDerWaalsContact CZ3-CB 3.42Å; W178-P187 HydrophobicContact CZ3-CG 3.76Å
188T95.7Very high91.8Very high47 Ų4783.2 Ų83.229%0.28839%0.394SS..EExtended strand (participates in β ladder)trans-126.4127.1160.7-42.80000110R176 V177 K228R176-T188 VanDerWaalsContact CA-O 3.28Å; R176-T188 WeakPolarHBondContact CA-O 3.13Å; V177-T188 PolarHBondContact N-O 3.1Å; V177-T188 PolarHBondContact O-N 2.96Å; T188-K228 HydrophobicContact CG2-CD 3.39Å; T188-K228 PolarHBondContact OG1-NZ 2.96Å; T188-K228 VanDerWaalsContact OG1-NZ 3.16Å
189E94.6Very high91.8Very high81 Ų8183.3 Ų83.338%0.37940%0.395SS..EExtended strand (participates in β ladder)trans-70.9135.5174.5-67.4-74.318000110.6R176R176-E189 HydrophobicContact CG-CG 4.42Å; R176-E189 WeakPolarHBondContact CG-OE2 3.4Å; R176-E189 IonicContact CZ-OE1 3.13Å; R176-E189 VanDerWaalsContact NE-CD 3.25Å; R176-E189 IonicContact NE-OE1 3.77Å; R176-E189 PolarHBondContact NE-OE1 3.45Å; R176-E189 IonicContact NE-OE2 2.67Å; R176-E189 IonicContact NH2-OE1 3.22Å; R176-E189 PolarHBondContact NH2-OE1 3.19Å
190C94.7Very high91.8Very high11 Ų1181 Ų817%0.07439%0.386CS..  trans-80.1128.8174.3-60.80000109.9L175 T192 I223 K228L175-C190 HydrophobicContact CB-CB 4.26Å; L175-C190 HydrophobicContact CD2-CB 4.17Å; L175-C190 HydrophobicContact CG-CB 3.99Å; L175-C190 WeakPolarHBondContact O-CB 3.4Å; L175-C190 PolarHBondContact O-N 3.2Å; L175-C190 PolarHBondContact O-SG 3.18Å; C190-T192 PolarHBondContact O-N 3.23Å; C190-I223 HydrophobicContact CB-CG2 4.19Å; C190-K228 CarbonylContact C-O 3.55Å; C190-K228 VanDerWaalsContact CA-O 3.28Å; C190-K228 WeakPolarHBondContact CA-O 3.32Å
191W92.3Very high91.9Very high167 Ų16780.4 Ų80.463%0.63338%0.384SS*.BIsolated β-bridgetrans-80.7109178.8-165.665.5000110.7N193 K228 V229 L230W191-N193 WeakPolarHBondContact CH2-OD1 3.39Å; W191-N193 WeakPolarHBondContact CZ2-OD1 3.46Å; W191-N193 WeakPolarHBondContact CZ3-OD1 3.15Å; W191-K228 PolarHBondContact N-O 2.64Å; W191-V229 HydrophobicContact CB-CG1 4.17Å; W191-V229 HydrophobicContact CE3-CG1 4.18Å; W191-L230 PolarHBondContact O-N 2.85Å
192T88.8Confident92.2Very high31 Ų3177.2 Ų77.219%0.1937%0.365CS..  trans-105.117.7-178.552.10000113L175 C190 M194 L195 I223L175-T192 HydrophobicContact CD2-CG2 4.35Å; C190-T192 PolarHBondContact O-N 3.23Å; T192-M194 PolarHBondContact O-N 2.94Å; T192-L195 WeakPolarHBondContact O-CB 3.4Å; T192-L195 PolarHBondContact O-N 2.51Å; T192-L195 PolarHBondContact OG1-O 3.25Å; T192-I223 HydrophobicContact CG2-CD1 4.31Å
193N83.7Confident92.6Very high86 Ų8670.3 Ų70.346%0.4633%0.328SS..THydrogen-bonded Turntrans57.4-120.8-174.6-53-10.9000110.9W191W191-N193 WeakPolarHBondContact CH2-OD1 3.39Å; W191-N193 WeakPolarHBondContact CZ2-OD1 3.46Å; W191-N193 WeakPolarHBondContact CZ3-OD1 3.15Å
194M84.2Confident92.9Very high178 Ų17863.8 Ų63.888%0.87730%0.298SS*.THydrogen-bonded Turntrans-94.5-2.4177.2-64.7-68.5-75.200112.8T192 K196T192-M194 PolarHBondContact O-N 2.94Å; M194-K196 PolarHBondContact O-N 3.03Å
195L86.4Confident93Very high56 Ų5655.4 Ų55.429%0.29327%0.267SS..  trans-81.6101.4-174.2-71.5168.5000111.1T192 L230 C233T192-L195 WeakPolarHBondContact O-CB 3.4Å; T192-L195 PolarHBondContact O-N 2.51Å; T192-L195 PolarHBondContact OG1-O 3.25Å; L195-L230 HydrophobicContact CD1-CD2 3.53Å; L195-C233 HydrophobicContact CD1-CB 4.25Å
196K86.3Confident92.8Very high162 Ų16258.4 Ų58.470%0.70428%0.283SS*.  trans-94.398.6171.7-64.5-178.4-179.1-176.30109.1L173 M194L173-K196 HydrophobicContact CD2-CB 3.96Å; L173-K196 HydrophobicContact CD2-CD 4.1Å; L173-K196 HydrophobicContact CD2-CG 4.29Å; M194-K196 PolarHBondContact O-N 3.03Å
197R89.9Confident92.6Very high73 Ų7359.3 Ų59.328%0.27529%0.289SS..  trans-110.5156.8177.2-63-58.3-164.7-156.6-13.9110.8T215 S217 D219 M221R197-T215 HydrophobicContact CB-CG2 3.76Å; R197-T215 HydrophobicContact CG-CG2 4.04Å; R197-S217 WeakPolarHBondContact CD-OG 3.36Å; R197-S217 VanDerWaalsContact CZ-OG 3.23Å; R197-S217 PolarHBondContact NE-OG 2.64Å; R197-S217 PolarHBondContact NH1-OG 2.78Å; R197-D219 IonicContact CZ-OD2 3.65Å; R197-D219 IonicContact NE-OD1 2.69Å; R197-D219 IonicContact NE-OD2 2.69Å; R197-D219 PolarHBondContact NE-OD2 3.16Å; R197-D219 IonicContact NH2-OD2 3.12Å; R197-D219 PolarHBondContact NH2-OD2 3.06Å; R197-M221 HydrophobicContact CB-CE 3.94Å; R197-M221 HydrophobicContact CB-SD 4.04Å; R197-M221 HydrophobicContact CG-CE 4.34Å; R197-M221 HydrophobicContact CG-SD 3.77Å
198Y94.1Very high92.5Very high82 Ų8258.3 Ų58.332%0.32228%0.281SS..BIsolated β-bridgetrans-95.6111.7169.8-169.8-87.8000107.4H153 L155 T215 S216H153-Y198 AromaticContact NE2-CE2 3.84Å; H153-Y198 PolarHBondContact NE2-OH 2.91Å; L155-Y198 HydrophobicContact CD1-CD1 3.83Å; L155-Y198 HydrophobicContact CD1-CE1 3Å; L155-Y198 HydrophobicContact CD1-CE2 3.96Å; L155-Y198 WeakPolarHBondContact CD1-OH 3.42Å; L155-Y198 WeakPolarHBondContact CD2-OH 3.3Å; L155-Y198 HydrophobicContact CG-CE1 4.4Å; Y198-T215 VanDerWaalsContact O-CA 3.24Å; Y198-T215 WeakPolarHBondContact O-CA 3.34Å; Y198-S216 WeakPolarHBondContact CB-OG 3.22Å; Y198-S216 PolarHBondContact O-N 2.77Å
199V96.4Very high92.4Very high2 Ų262.9 Ų62.91%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-86.1120-176.7178.10000109.5V156 G171 L175 I202 C213 A214 M221V156-V199 HydrophobicContact CG1-CG1 4.46Å; G171-V199 WeakPolarHBondContact CA-O 3.32Å; G171-V199 PolarHBondContact O-N 3.02Å; L175-V199 HydrophobicContact CD1-CG2 4.42Å; V199-I202 HydrophobicContact CG1-CD1 4.23Å; V199-I202 HydrophobicContact CG1-CG1 3.77Å; V199-C213 HydrophobicContact CG1-CB 3.86Å; V199-C213 HydrophobicContact CG2-CB 4.3Å; V199-A214 WeakPolarHBondContact CA-O 3.43Å; V199-M221 HydrophobicContact CG2-CE 3.7Å
200S95.9Very high92.4Very high23 Ų2361.8 Ų61.816%0.16129%0.285CS..EExtended strand (participates in β ladder)trans-99.1-31.7-176.346.80000113.3A214 I244S200-A214 PolarHBondContact N-O 3.28Å; S200-A214 PolarHBondContact OG-O 2.95Å; S200-I244 WeakPolarHBondContact CB-O 3.37Å; S200-I244 PolarHBondContact OG-O 3.3Å
201C96.9Very high92.5Very high4 Ų461.2 Ų61.23%0.02728%0.282CS..EExtended strand (participates in β ladder)trans-146.2148.4-179.2-173.90000109.7F23 C213 A214F23-C201 HydrophobicContact CE1-CB 3.93Å; F23-C201 VanDerWaalsContact CE1-SG 3.5Å; F23-C201 HydrophobicContact CZ-CB 3.65Å; C201-C213 CarbonylContact O-C 3.6Å; C201-C213 WeakPolarHBondContact O-CA 3.38Å; C201-A214 HydrophobicContact CB-CB 3.81Å; C201-A214 PolarHBondContact O-N 3.18Å
202I97.6Very high92.7Very high0 Ų054.5 Ų54.50%026%0.256CS..EExtended strand (participates in β ladder)trans-129.3137.5175.8-67.3177.9000108.1V156 E158 A168 L175 V199 I204 M211 Y212V156-I202 HydrophobicContact CG1-CB 4.43Å; V156-I202 HydrophobicContact CG1-CD1 3.9Å; V156-I202 HydrophobicContact CG1-CG1 3.82Å; E158-I202 HydrophobicContact CB-CB 4.17Å; E158-I202 HydrophobicContact CB-CG2 4.07Å; A168-I202 HydrophobicContact CB-CD1 4.32Å; A168-I202 HydrophobicContact CB-CG2 4.19Å; L175-I202 HydrophobicContact CD1-CD1 3.74Å; V199-I202 HydrophobicContact CG1-CD1 4.23Å; V199-I202 HydrophobicContact CG1-CG1 3.77Å; I202-I204 HydrophobicContact CG2-CG1 4.28Å; I202-M211 HydrophobicContact CD1-SD 4.26Å; I202-M211 HydrophobicContact CG2-CG 3.49Å; I202-M211 VanDerWaalsContact CG2-CG 3.49Å; I202-M211 HydrophobicContact CG2-SD 3.46Å; I202-M211 WeakPolarHBondContact CG2-SD 3.31Å; I202-Y212 WeakPolarHBondContact CA-O 3.45Å
203E96.6Very high93.1Very high4 Ų453 Ų532%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-132.4134.7167.3-80.9-68.7154.900109.8M211 Y212 L247 K248E203-M211 CarbonylContact O-C 3.54Å; E203-M211 WeakPolarHBondContact O-CA 3.23Å; E203-Y212 PolarHBondContact N-O 3.44Å; E203-Y212 PolarHBondContact O-N 2.83Å; E203-L247 HydrophobicContact CB-CD2 3.81Å; E203-L247 HydrophobicContact CG-CD2 4Å; E203-L247 WeakPolarHBondContact CG-O 3.47Å; E203-K248 VanDerWaalsContact OE1-CD 3.28Å; E203-K248 WeakPolarHBondContact OE1-CD 3.48Å; E203-K248 WeakPolarHBondContact OE1-CE 3.38Å; E203-K248 IonicContact OE1-NZ 3.81Å; E203-K248 PolarHBondContact OE1-NZ 2.64Å
204I96.3Very high93.7Very high1 Ų148.9 Ų48.91%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-106.8134.7-179.6-60.3163.1000108.4M166 A168 I202 N208 M211M166-I204 HydrophobicContact CE-CD1 3.95Å; M166-I204 HydrophobicContact CE-CG1 4.49Å; M166-I204 HydrophobicContact CE-CG2 4.39Å; M166-I204 HydrophobicContact SD-CD1 3.83Å; A168-I204 HydrophobicContact CB-CD1 4.06Å; I202-I204 HydrophobicContact CG2-CG1 4.28Å; I204-N208 WeakPolarHBondContact CG2-OD1 3.34Å; I204-M211 HydrophobicContact CG1-CB 4.35Å; I204-M211 HydrophobicContact CG1-CG 4.06Å
205S94.7Very high94.3Very high8 Ų840.4 Ų40.46%0.05618%0.183CC..  trans-68.315117660.80000111.7D207 N208 R209 Y210S205-D207 VanDerWaalsContact CB-OD1 3.29Å; S205-D207 WeakPolarHBondContact CB-OD1 3.44Å; S205-D207 PolarHBondContact O-N 3.13Å; S205-D207 PolarHBondContact OG-OD1 3.23Å; S205-N208 WeakPolarHBondContact O-CA 3.5Å; S205-N208 PolarHBondContact O-N 3.26Å; S205-N208 PolarHBondContact O-OD1 2.96Å; S205-R209 PolarHBondContact OG-N 3.01Å; S205-Y210 PolarHBondContact N-O 3.32Å; S205-Y210 PolarHBondContact OG-N 3.39Å; S205-Y210 PolarHBondContact OG-O 2.74Å
206D91.9Very high94.7Very high71 Ų7140.9 Ų40.938%0.3819%0.191SC..THydrogen-bonded Turntrans-63.3-27.8-174.3-51.9-27.6000113K161 T162 N208K161-D206 WeakPolarHBondContact CD-OD1 3.24Å; K161-D206 IonicContact NZ-OD1 3.18Å; K161-D206 PolarHBondContact NZ-OD1 2.84Å; T162-D206 HydrophobicContact CG2-CB 4.42Å; T162-D206 WeakPolarHBondContact CG2-O 3.44Å; T162-D206 PolarHBondContact OG1-O 3.43Å; D206-N208 PolarHBondContact O-N 2.88Å
207D92.1Very high95Very high106 Ų10634.8 Ų34.857%0.56717%0.169SC*.THydrogen-bonded Turntrans-80.6-0174.271.4-10.2000113.6S205 R209S205-D207 VanDerWaalsContact CB-OD1 3.29Å; S205-D207 WeakPolarHBondContact CB-OD1 3.44Å; S205-D207 PolarHBondContact O-N 3.13Å; S205-D207 PolarHBondContact OG-OD1 3.23Å; D207-R209 PolarHBondContact O-N 3.22Å; D207-R209 VanDerWaalsContact OD1-CB 3.32Å; D207-R209 WeakPolarHBondContact OD1-CB 3.25Å; D207-R209 PolarHBondContact OD1-N 3.29Å; D207-R209 WeakPolarHBondContact OD2-CB 3.42Å
208N93.1Very high95.2Very high32 Ų3231.3 Ų31.317%0.17116%0.156CC..SBendtrans52.621-175.3-61.9-42.5000114.4S160 T162 D163 I204 S205 D206 V225S160-N208 WeakPolarHBondContact CB-OD1 3.26Å; S160-N208 VanDerWaalsContact OG-CG 3.24Å; S160-N208 PolarHBondContact OG-ND2 2.98Å; S160-N208 VanDerWaalsContact OG-ND2 3.16Å; S160-N208 PolarHBondContact OG-OD1 2.57Å; T162-N208 PolarHBondContact OG1-ND2 2.95Å; D163-N208 WeakPolarHBondContact CB-ND2 3.41Å; I204-N208 WeakPolarHBondContact CG2-OD1 3.34Å; S205-N208 WeakPolarHBondContact O-CA 3.5Å; S205-N208 PolarHBondContact O-N 3.26Å; S205-N208 PolarHBondContact O-OD1 2.96Å; D206-N208 PolarHBondContact O-N 2.88Å; N208-V225 WeakPolarHBondContact O-CB 3.35Å; N208-V225 WeakPolarHBondContact O-CG1 3.37Å
209R93.9Very high95.2Very high143 Ų14327.5 Ų27.554%0.5414%0.141SC..SBendtrans-80.5-40.1-180-174.3176.8173.9172.8-1111.5S205 D207 V225S205-R209 PolarHBondContact OG-N 3.01Å; D207-R209 PolarHBondContact O-N 3.22Å; D207-R209 VanDerWaalsContact OD1-CB 3.32Å; D207-R209 WeakPolarHBondContact OD1-CB 3.25Å; D207-R209 PolarHBondContact OD1-N 3.29Å; D207-R209 WeakPolarHBondContact OD2-CB 3.42Å; R209-V225 PolarHBondContact O-N 2.99Å
210Y95.4Very high95.2Very high57 Ų5727.4 Ų27.422%0.22414%0.141CC..EExtended strand (participates in β ladder)trans-127.6144.5-174.4-64.7-65.3000111.8S205 T222 I223 D224S205-Y210 PolarHBondContact N-O 3.32Å; S205-Y210 PolarHBondContact OG-N 3.39Å; S205-Y210 PolarHBondContact OG-O 2.74Å; Y210-T222 HydrophobicContact CD1-CG2 3.69Å; Y210-T222 HydrophobicContact CE1-CG2 4.47Å; Y210-T222 HydrophobicContact CG-CG2 4.02Å; Y210-I223 WeakPolarHBondContact CA-O 3.37Å; Y210-D224 HydrophobicContact CE1-CB 4.48Å
211M96.1Very high95.2Very high0 Ų026.5 Ų26.50%013%0.134CC..EExtended strand (participates in β ladder)trans-118.8128.5169.3176.2-176.66100108.6A168 L175 I202 E203 I204 T222 I223 V225A168-M211 HydrophobicContact CB-CE 4.5Å; A168-M211 HydrophobicContact CB-SD 3.28Å; A168-M211 WeakPolarHBondContact CB-SD 3.13Å; L175-M211 HydrophobicContact CD1-CE 3.74Å; L175-M211 HydrophobicContact CD1-SD 4.45Å; L175-M211 HydrophobicContact CD2-CE 4.12Å; L175-M211 HydrophobicContact CG-CE 3.96Å; I202-M211 HydrophobicContact CD1-SD 4.26Å; I202-M211 HydrophobicContact CG2-CG 3.49Å; I202-M211 VanDerWaalsContact CG2-CG 3.49Å; I202-M211 HydrophobicContact CG2-SD 3.46Å; I202-M211 WeakPolarHBondContact CG2-SD 3.31Å; E203-M211 CarbonylContact O-C 3.54Å; E203-M211 WeakPolarHBondContact O-CA 3.23Å; I204-M211 HydrophobicContact CG1-CB 4.35Å; I204-M211 HydrophobicContact CG1-CG 4.06Å; M211-T222 CarbonylContact O-C 3.58Å; M211-T222 WeakPolarHBondContact O-CA 3.3Å; M211-I223 HydrophobicContact CB-CB 4.37Å; M211-I223 HydrophobicContact CE-CB 3.79Å; M211-I223 HydrophobicContact CE-CG1 3.69Å; M211-I223 HydrophobicContact CE-CG2 4.1Å; M211-I223 PolarHBondContact N-O 3Å; M211-I223 PolarHBondContact O-N 2.81Å; M211-V225 HydrophobicContact CB-CG2 3.96Å
212Y96.9Very high95.1Very high25 Ų2526.6 Ų26.610%0.09813%0.134CC..EExtended strand (participates in β ladder)trans-102.3122178.6-57.8-88.3000109.5I202 E203 I220 M221 T222 L247 L249 L255 F272I202-Y212 WeakPolarHBondContact CA-O 3.45Å; E203-Y212 PolarHBondContact N-O 3.44Å; E203-Y212 PolarHBondContact O-N 2.83Å; Y212-I220 HydrophobicContact CD1-CG2 4.37Å; Y212-M221 CarbonylContact C-O 3.52Å; Y212-T222 HydrophobicContact CD1-CG2 4.19Å; Y212-T222 WeakPolarHBondContact CD1-OG1 3.25Å; Y212-T222 HydrophobicContact CE1-CG2 3.92Å; Y212-L247 HydrophobicContact CG-CD2 4.47Å; Y212-L249 HydrophobicContact CE2-CD1 4.06Å; Y212-L249 HydrophobicContact CE2-CD2 4.08Å; Y212-L255 HydrophobicContact CD1-CD1 3.94Å; Y212-L255 HydrophobicContact CD2-CD2 4.5Å; Y212-L255 HydrophobicContact CE1-CD1 4.34Å; Y212-L255 HydrophobicContact CG-CD1 4.41Å; Y212-L255 HydrophobicContact CG-CD2 4.35Å; Y212-F272 HydrophobicContact CD1-CE1 4.33Å; Y212-F272 HydrophobicContact CD1-CZ 4.07Å; Y212-F272 AromaticContact CE1-CE1 3.99Å; Y212-F272 HydrophobicContact CE1-CE1 3.99Å; Y212-F272 AromaticContact CE1-CZ 3.82Å; Y212-F272 HydrophobicContact CE1-CZ 3.82Å
213C97Very high95Very high0 Ų026.6 Ų26.60%013%0.134CC..EExtended strand (participates in β ladder)trans-115.2114.5-177-54.80000109.8V199 C201 I220 M221V199-C213 HydrophobicContact CG1-CB 3.86Å; V199-C213 HydrophobicContact CG2-CB 4.3Å; C201-C213 CarbonylContact O-C 3.6Å; C201-C213 WeakPolarHBondContact O-CA 3.38Å; C213-I220 WeakPolarHBondContact O-CA 3.22Å; C213-M221 HydrophobicContact CB-CB 4.24Å; C213-M221 HydrophobicContact CB-CE 4.29Å; C213-M221 PolarHBondContact N-O 2.91Å; C213-M221 PolarHBondContact O-N 2.83Å
214A96.4Very high95Very high0 Ų028.7 Ų28.70%015%0.146CC..EExtended strand (participates in β ladder)trans-71.9144169.700000110.5V199 S200 C201 I244 L247V199-A214 WeakPolarHBondContact CA-O 3.43Å; S200-A214 PolarHBondContact N-O 3.28Å; S200-A214 PolarHBondContact OG-O 2.95Å; C201-A214 HydrophobicContact CB-CB 3.81Å; C201-A214 PolarHBondContact O-N 3.18Å; A214-I244 HydrophobicContact CB-CB 3.84Å; A214-I244 HydrophobicContact CB-CG2 3.5Å; A214-I244 VanDerWaalsContact CB-CG2 3.5Å; A214-L247 HydrophobicContact CB-CB 4.26Å
215T95.9Very high95Very high0 Ų029.3 Ų29.30%015%0.15CC..EExtended strand (participates in β ladder)trans-123.8155.4179.183.10000113.1R197 Y198 S217 G218 D219 M221 I244R197-T215 HydrophobicContact CB-CG2 3.76Å; R197-T215 HydrophobicContact CG-CG2 4.04Å; Y198-T215 VanDerWaalsContact O-CA 3.24Å; Y198-T215 WeakPolarHBondContact O-CA 3.34Å; T215-S217 PolarHBondContact O-N 2.99Å; T215-S217 PolarHBondContact OG1-N 3.11Å; T215-S217 PolarHBondContact OG1-OG 3.34Å; T215-G218 PolarHBondContact O-N 3.21Å; T215-G218 VanDerWaalsContact O-N 3.1Å; T215-G218 PolarHBondContact OG1-N 2.88Å; T215-D219 WeakPolarHBondContact CB-OD1 3.13Å; T215-D219 WeakPolarHBondContact CG2-O 3.42Å; T215-D219 WeakPolarHBondContact CG2-OD1 3.42Å; T215-D219 PolarHBondContact N-O 3.19Å; T215-D219 VanDerWaalsContact N-O 3.07Å; T215-D219 PolarHBondContact OG1-N 2.99Å; T215-D219 PolarHBondContact OG1-O 3.15Å; T215-D219 VanDerWaalsContact OG1-O 3.09Å; T215-D219 PolarHBondContact OG1-OD1 2.95Å; T215-M221 HydrophobicContact CG2-CE 4Å; T215-M221 HydrophobicContact CG2-CG 4.13Å; T215-M221 HydrophobicContact CG2-SD 4.42Å; T215-I244 PolarHBondContact O-N 2.82Å
216S95Very high94.9Very high65 Ų6538 Ų3846%0.45519%0.186SC..THydrogen-bonded Turntrans-65.4-15171.873.20000113.8Y198 G218 G243Y198-S216 WeakPolarHBondContact CB-OG 3.22Å; Y198-S216 PolarHBondContact O-N 2.77Å; S216-G218 VanDerWaalsContact C-N 3.3Å; S216-G243 WeakPolarHBondContact O-CA 3.42Å
217S93.9Very high94.9Very high34 Ų3436.6 Ų36.624%0.23819%0.189CC..THydrogen-bonded Turntrans-85.9-1.2174.555.60000114.2R197 T215 D219 K239R197-S217 WeakPolarHBondContact CD-OG 3.36Å; R197-S217 VanDerWaalsContact CZ-OG 3.23Å; R197-S217 PolarHBondContact NE-OG 2.64Å; R197-S217 PolarHBondContact NH1-OG 2.78Å; T215-S217 PolarHBondContact O-N 2.99Å; T215-S217 PolarHBondContact OG1-N 3.11Å; T215-S217 PolarHBondContact OG1-OG 3.34Å; S217-D219 PolarHBondContact OG-OD1 2.81Å; S217-K239 WeakPolarHBondContact O-CD 3.36Å
218G94.1Very high95.1Very high0 Ų033.4 Ų33.40%017%0.169CC..SBendtrans86.317.1173.800000114.3T215 S216 K239 F240T215-G218 PolarHBondContact O-N 3.21Å; T215-G218 VanDerWaalsContact O-N 3.1Å; T215-G218 PolarHBondContact OG1-N 2.88Å; S216-G218 VanDerWaalsContact C-N 3.3Å; G218-K239 WeakPolarHBondContact O-CB 3.35Å; G218-F240 WeakPolarHBondContact CA-O 3.42Å; G218-F240 PolarHBondContact O-N 2.79Å; G218-F240 VanDerWaalsContact O-N 3.09Å
219D94.1Very high95.2Very high3 Ų334.3 Ų34.32%0.01618%0.176CC..  trans-114.9161.917353.417.7000111.1R197 T215 S217 K239R197-D219 IonicContact CZ-OD2 3.65Å; R197-D219 IonicContact NE-OD1 2.69Å; R197-D219 IonicContact NE-OD2 2.69Å; R197-D219 PolarHBondContact NE-OD2 3.16Å; R197-D219 IonicContact NH2-OD2 3.12Å; R197-D219 PolarHBondContact NH2-OD2 3.06Å; T215-D219 WeakPolarHBondContact CB-OD1 3.13Å; T215-D219 WeakPolarHBondContact CG2-O 3.42Å; T215-D219 WeakPolarHBondContact CG2-OD1 3.42Å; T215-D219 PolarHBondContact N-O 3.19Å; T215-D219 VanDerWaalsContact N-O 3.07Å; T215-D219 PolarHBondContact OG1-N 2.99Å; T215-D219 PolarHBondContact OG1-O 3.15Å; T215-D219 VanDerWaalsContact OG1-O 3.09Å; T215-D219 PolarHBondContact OG1-OD1 2.95Å; S217-D219 PolarHBondContact OG-OD1 2.81Å; D219-K239 HydrophobicContact CB-CD 4.24Å; D219-K239 IonicContact OD2-NZ 2.68Å; D219-K239 PolarHBondContact OD2-NZ 3.14Å
220I95.6Very high95.3Very high0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-113.2124.6177.6-57.9164.3000107.2Y212 C213 C233 A234 I244 L247 L255 V257 F272Y212-I220 HydrophobicContact CD1-CG2 4.37Å; C213-I220 WeakPolarHBondContact O-CA 3.22Å; I220-C233 WeakPolarHBondContact O-CA 3.42Å; I220-A234 WeakPolarHBondContact CA-O 3.29Å; I220-A234 WeakPolarHBondContact CB-O 3.31Å; I220-A234 PolarHBondContact N-O 2.84Å; I220-A234 PolarHBondContact O-N 2.83Å; I220-A234 VanDerWaalsContact O-O 3.13Å; I220-I244 HydrophobicContact CD1-CD1 4.11Å; I220-I244 HydrophobicContact CG1-CD1 3.5Å; I220-I244 VanDerWaalsContact CG1-CD1 3.5Å; I220-L247 HydrophobicContact CD1-CD1 3.6Å; I220-L247 HydrophobicContact CG1-CD1 3.8Å; I220-L247 HydrophobicContact CG2-CD1 4.15Å; I220-L255 HydrophobicContact CD1-CD1 4.11Å; I220-L255 HydrophobicContact CG2-CD1 4.48Å; I220-V257 HydrophobicContact CD1-CG2 3.98Å; I220-F272 HydrophobicContact CB-CD2 4.15Å; I220-F272 HydrophobicContact CD1-CB 4.09Å; I220-F272 HydrophobicContact CD1-CG 4.22Å; I220-F272 HydrophobicContact CG2-CD2 4.45Å; I220-F272 HydrophobicContact CG2-CE2 4.4Å
221M95.1Very high95.1Very high3 Ų329.1 Ų29.12%0.01517%0.168CC..EExtended strand (participates in β ladder)trans-97.4124.9172.6-63.2-172.5-56.800109.5L175 R197 V199 Y212 C213 T215 L230 C233L175-M221 HydrophobicContact CD2-CE 4.24Å; R197-M221 HydrophobicContact CB-CE 3.94Å; R197-M221 HydrophobicContact CB-SD 4.04Å; R197-M221 HydrophobicContact CG-CE 4.34Å; R197-M221 HydrophobicContact CG-SD 3.77Å; V199-M221 HydrophobicContact CG2-CE 3.7Å; Y212-M221 CarbonylContact C-O 3.52Å; C213-M221 HydrophobicContact CB-CB 4.24Å; C213-M221 HydrophobicContact CB-CE 4.29Å; C213-M221 PolarHBondContact N-O 2.91Å; C213-M221 PolarHBondContact O-N 2.83Å; T215-M221 HydrophobicContact CG2-CE 4Å; T215-M221 HydrophobicContact CG2-CG 4.13Å; T215-M221 HydrophobicContact CG2-SD 4.42Å; M221-L230 HydrophobicContact CB-CD1 3.75Å; M221-L230 HydrophobicContact CG-CD1 4.12Å; M221-L230 HydrophobicContact SD-CD1 4.44Å; M221-C233 HydrophobicContact CG-CB 4.48Å
222T95.6Very high94.9Very high6 Ų633.1 Ų33.14%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-98.8117.6171.9-550000108.8Y210 M211 Y212 S231 I232 F272Y210-T222 HydrophobicContact CD1-CG2 3.69Å; Y210-T222 HydrophobicContact CE1-CG2 4.47Å; Y210-T222 HydrophobicContact CG-CG2 4.02Å; M211-T222 CarbonylContact O-C 3.58Å; M211-T222 WeakPolarHBondContact O-CA 3.3Å; Y212-T222 HydrophobicContact CD1-CG2 4.19Å; Y212-T222 WeakPolarHBondContact CD1-OG1 3.25Å; Y212-T222 HydrophobicContact CE1-CG2 3.92Å; T222-S231 WeakPolarHBondContact O-CB 3.28Å; T222-S231 PolarHBondContact O-N 3.23Å; T222-I232 PolarHBondContact N-O 2.94Å; T222-I232 PolarHBondContact O-N 3.41Å; T222-F272 WeakPolarHBondContact OG1-CE2 3.44Å; T222-F272 WeakPolarHBondContact OG1-CZ 3.06Å
223I96.6Very high94.6Very high0 Ų033.9 Ų33.90%020%0.197CC..EExtended strand (participates in β ladder)trans-101.2130.2177.3-53-54.5000108.7L175 C190 T192 Y210 M211 V225 V229 L230L175-I223 HydrophobicContact CD2-CD1 3.91Å; L175-I223 HydrophobicContact CD2-CG1 3.7Å; C190-I223 HydrophobicContact CB-CG2 4.19Å; T192-I223 HydrophobicContact CG2-CD1 4.31Å; Y210-I223 WeakPolarHBondContact CA-O 3.37Å; M211-I223 HydrophobicContact CB-CB 4.37Å; M211-I223 HydrophobicContact CE-CB 3.79Å; M211-I223 HydrophobicContact CE-CG1 3.69Å; M211-I223 HydrophobicContact CE-CG2 4.1Å; M211-I223 PolarHBondContact N-O 3Å; M211-I223 PolarHBondContact O-N 2.81Å; I223-V225 PolarHBondContact O-N 3.01Å; I223-V229 WeakPolarHBondContact CA-O 3.28Å; I223-L230 HydrophobicContact CD1-CB 4.05Å; I223-L230 HydrophobicContact CD1-CD1 3.74Å
224D96.4Very high94.3Very high49 Ų4934.5 Ų34.526%0.26220%0.202SC..EExtended strand (participates in β ladder)trans-71.1115.3163.3175.7-7.6000107.6Y210 K226 G227 K228 V229Y210-D224 HydrophobicContact CE1-CB 4.48Å; D224-K226 VanDerWaalsContact C-N 3.34Å; D224-K226 PolarHBondContact O-N 3Å; D224-K226 PolarHBondContact OD1-N 2.92Å; D224-G227 PolarHBondContact OD1-N 2.86Å; D224-K228 WeakPolarHBondContact O-CA 3.16Å; D224-K228 PolarHBondContact O-N 3.47Å; D224-V229 HydrophobicContact CB-CG2 4.24Å; D224-V229 PolarHBondContact N-O 3.34Å; D224-V229 PolarHBondContact O-N 3.41Å
225V95Very high93.8Very high14 Ų1435 Ų359%0.08521%0.205CC..THydrogen-bonded Turntrans-66.2-37.4-175.6170.30000111.5M166 N208 R209 M211 I223 K228M166-V225 HydrophobicContact CE-CB 4.43Å; M166-V225 HydrophobicContact CE-CG1 3.48Å; M166-V225 VanDerWaalsContact CE-CG1 3.48Å; M166-V225 HydrophobicContact CE-CG2 4.04Å; N208-V225 WeakPolarHBondContact O-CB 3.35Å; N208-V225 WeakPolarHBondContact O-CG1 3.37Å; R209-V225 PolarHBondContact O-N 2.99Å; M211-V225 HydrophobicContact CB-CG2 3.96Å; I223-V225 PolarHBondContact O-N 3.01Å; V225-K228 WeakPolarHBondContact O-CG 3.46Å
226K93Very high93Very high191 Ų19138.1 Ų38.183%0.8324%0.237SC*.THydrogen-bonded Turntrans-73-45.8-177.7-175.4178.5-178.7177.70110.7D224 K228D224-K226 VanDerWaalsContact C-N 3.34Å; D224-K226 PolarHBondContact O-N 3Å; D224-K226 PolarHBondContact OD1-N 2.92Å; K226-K228 VanDerWaalsContact C-N 3.32Å
227G92.5Very high92.3Very high41 Ų4144.1 Ų44.142%0.42326%0.255SS..THydrogen-bonded Turntrans-75-22.9176.300000113.2D224 V229D224-G227 PolarHBondContact OD1-N 2.86Å; G227-V229 WeakPolarHBondContact O-CG1 3.44Å; G227-V229 PolarHBondContact O-N 2.74Å
228K95.3Very high91.9Very high38 Ų3847.2 Ų47.217%0.16528%0.282CS..THydrogen-bonded Turntrans56.736.9-173-55.4164.1179.9171.60110.8E179 T188 C190 W191 D224 V225 K226E179-K228 IonicContact OE1-NZ 3.88Å; E179-K228 PolarHBondContact OE1-NZ 2.94Å; T188-K228 HydrophobicContact CG2-CD 3.39Å; T188-K228 PolarHBondContact OG1-NZ 2.96Å; T188-K228 VanDerWaalsContact OG1-NZ 3.16Å; C190-K228 CarbonylContact C-O 3.55Å; C190-K228 VanDerWaalsContact CA-O 3.28Å; C190-K228 WeakPolarHBondContact CA-O 3.32Å; W191-K228 PolarHBondContact N-O 2.64Å; D224-K228 WeakPolarHBondContact O-CA 3.16Å; D224-K228 PolarHBondContact O-N 3.47Å; V225-K228 WeakPolarHBondContact O-CG 3.46Å; K226-K228 VanDerWaalsContact C-N 3.32Å
229V95.9Very high91.8Very high52 Ų5250.5 Ų50.532%0.31530%0.296SS..EExtended strand (participates in β ladder)trans-126147-175.4-65.30000110.9W191 I223 D224 G227 S231W191-V229 HydrophobicContact CB-CG1 4.17Å; W191-V229 HydrophobicContact CE3-CG1 4.18Å; I223-V229 WeakPolarHBondContact CA-O 3.28Å; D224-V229 HydrophobicContact CB-CG2 4.24Å; D224-V229 PolarHBondContact N-O 3.34Å; D224-V229 PolarHBondContact O-N 3.41Å; G227-V229 WeakPolarHBondContact O-CG1 3.44Å; G227-V229 PolarHBondContact O-N 2.74Å; V229-S231 PolarHBondContact O-N 3.07Å
230L94.8Very high91.8Very high27 Ų2751.1 Ų51.114%0.14130%0.299CS..EExtended strand (participates in β ladder)trans-63.1121171.5178.871.2000110.4W191 L195 M221 I223 I232W191-L230 PolarHBondContact O-N 2.85Å; L195-L230 HydrophobicContact CD1-CD2 3.53Å; M221-L230 HydrophobicContact CB-CD1 3.75Å; M221-L230 HydrophobicContact CG-CD1 4.12Å; M221-L230 HydrophobicContact SD-CD1 4.44Å; I223-L230 HydrophobicContact CD1-CB 4.05Å; I223-L230 HydrophobicContact CD1-CD1 3.74Å; L230-I232 WeakPolarHBondContact CD1-O 3.28Å
231S92.8Very high91.7Very high63 Ų6356.3 Ų56.344%0.44133%0.327SS..EExtended strand (participates in β ladder)trans-91.3-54.7175.2-177.70000111T222 V229T222-S231 WeakPolarHBondContact O-CB 3.28Å; T222-S231 PolarHBondContact O-N 3.23Å; V229-S231 PolarHBondContact O-N 3.07Å
232I91.4Very high91.6Very high85 Ų8563.8 Ų63.844%0.43636%0.361SS..EExtended strand (participates in β ladder)trans-139.5145.2-174.6-62.7174.6000109.3T222 L230 A234 F272T222-I232 PolarHBondContact N-O 2.94Å; T222-I232 PolarHBondContact O-N 3.41Å; L230-I232 WeakPolarHBondContact CD1-O 3.28Å; I232-A234 HydrophobicContact CG2-CB 4.14Å; I232-F272 HydrophobicContact CG2-CE2 4.28Å
233C91.1Very high91.6Very high40 Ų4063.6 Ų63.627%0.2736%0.361SS..EExtended strand (participates in β ladder)trans-129.1114.6167.2-176.80000108.9L195 I220 M221L195-C233 HydrophobicContact CD1-CB 4.25Å; I220-C233 WeakPolarHBondContact O-CA 3.42Å; M221-C233 HydrophobicContact CG-CB 4.48Å
234A90.7Very high91.6Very high13 Ų1363.6 Ų63.611%0.10736%0.361CS..EExtended strand (participates in β ladder)trans-151154.6-175.900000111.5I220 I232 F272I220-A234 WeakPolarHBondContact CA-O 3.29Å; I220-A234 WeakPolarHBondContact CB-O 3.31Å; I220-A234 PolarHBondContact N-O 2.84Å; I220-A234 PolarHBondContact O-N 2.83Å; I220-A234 VanDerWaalsContact O-O 3.13Å; I232-A234 HydrophobicContact CG2-CB 4.14Å; A234-F272 HydrophobicContact CB-CD2 3.58Å; A234-F272 HydrophobicContact CB-CE2 4.22Å; A234-F272 HydrophobicContact CB-CG 4.48Å
235P85.4Confident91.6Very high12 Ų1263.7 Ų63.78%0.07836%0.361CS..  cis-75.1134.9130.7-35.9000112.8F240P235-F240 HydrophobicContact CG-CE2 4.48Å
236G78.6Confident91.7Very high64 Ų6463.1 Ų63.166%0.6636%0.358SS*.SBendtrans-74.3-25.217900000114
237K79.6Confident91.8Very high192 Ų19254 Ų5484%0.83532%0.318SS*.SBendtrans-128.1149.4173.9-65.2-178.2179.8-179.40108.2
238A86.9Confident92Very high98 Ų9853.7 Ų53.781%0.8131%0.305SS*.SBendtrans5863.3-175.300000112.6
239K91.9Very high91.9Very high69 Ų6952.4 Ų52.430%0.330%0.3SS..PPolyproline II helixtrans-71.3156.9174.8-60-167.4-174.4-166.80110.8S217 G218 D219 N241S217-K239 WeakPolarHBondContact O-CD 3.36Å; G218-K239 WeakPolarHBondContact O-CB 3.35Å; D219-K239 HydrophobicContact CB-CD 4.24Å; D219-K239 IonicContact OD2-NZ 2.68Å; D219-K239 PolarHBondContact OD2-NZ 3.14Å; K239-N241 PolarHBondContact O-N 2.84Å
240F92.9Very high91.8Very high16 Ų1651 Ų517%0.0729%0.291CS..PPolyproline II helixtrans-66.7125173.6-68.4-86.4000110.4G218 P235 G243 I244 V257 I263 A265G218-F240 WeakPolarHBondContact CA-O 3.42Å; G218-F240 PolarHBondContact O-N 2.79Å; G218-F240 VanDerWaalsContact O-N 3.09Å; P235-F240 HydrophobicContact CG-CE2 4.48Å; F240-G243 PolarHBondContact O-N 2.95Å; F240-I244 HydrophobicContact CB-CG1 3.94Å; F240-I244 HydrophobicContact CD2-CD1 3.73Å; F240-I244 HydrophobicContact CD2-CG1 3.82Å; F240-I244 HydrophobicContact CE2-CD1 4.3Å; F240-I244 HydrophobicContact CG-CD1 4.47Å; F240-I244 HydrophobicContact CG-CG1 4.06Å; F240-V257 HydrophobicContact CD2-CG1 4.25Å; F240-V257 HydrophobicContact CE1-CG1 4.31Å; F240-V257 HydrophobicContact CE2-CG1 3.98Å; F240-V257 HydrophobicContact CZ-CB 4.41Å; F240-V257 HydrophobicContact CZ-CG1 4.01Å; F240-I263 HydrophobicContact CE1-CG2 4.38Å; F240-A265 HydrophobicContact CE1-CB 3.94Å; F240-A265 HydrophobicContact CZ-CB 4.18Å
241N93.4Very high91.4Very high110 Ų11056.6 Ų56.659%0.58832%0.316SS*.THydrogen-bonded Turntrans-63141.7178.5-70.6-31000110.5K239 G243 S261K239-N241 PolarHBondContact O-N 2.84Å; N241-G243 PolarHBondContact O-N 2.86Å; N241-S261 WeakPolarHBondContact O-CB 3.31Å; N241-S261 PolarHBondContact O-N 2.84Å; N241-S261 PolarHBondContact O-OG 2.93Å
242H93.8Very high91.2Very high159 Ų15956.5 Ų56.574%0.73632%0.315SS*.THydrogen-bonded Turntrans59.619.8-175.6-57.787.9000114.8
243G95.3Very high91.1Very high2 Ų253.2 Ų53.22%0.02130%0.303CS..  trans82.4175.217600000114.1S216 F240 N241 S259 G260S216-G243 WeakPolarHBondContact O-CA 3.42Å; F240-G243 PolarHBondContact O-N 2.95Å; N241-G243 PolarHBondContact O-N 2.86Å; G243-S259 CarbonylContact O-C 3.53Å; G243-S259 VanDerWaalsContact O-CA 3.32Å; G243-S259 WeakPolarHBondContact O-CA 3.46Å; G243-S259 WeakPolarHBondContact O-CB 3.25Å; G243-G260 PolarHBondContact O-N 3.5Å
244I96.9Very high91.2Very high0 Ų053.2 Ų53.20%030%0.3CS..EExtended strand (participates in β ladder)trans-104.6127.5172.6-60.5166.1000107.5S200 A214 T215 I220 F240 V246 V257S200-I244 WeakPolarHBondContact CB-O 3.37Å; S200-I244 PolarHBondContact OG-O 3.3Å; A214-I244 HydrophobicContact CB-CB 3.84Å; A214-I244 HydrophobicContact CB-CG2 3.5Å; A214-I244 VanDerWaalsContact CB-CG2 3.5Å; T215-I244 PolarHBondContact O-N 2.82Å; I220-I244 HydrophobicContact CD1-CD1 4.11Å; I220-I244 HydrophobicContact CG1-CD1 3.5Å; I220-I244 VanDerWaalsContact CG1-CD1 3.5Å; F240-I244 HydrophobicContact CB-CG1 3.94Å; F240-I244 HydrophobicContact CD2-CD1 3.73Å; F240-I244 HydrophobicContact CD2-CG1 3.82Å; F240-I244 HydrophobicContact CE2-CD1 4.3Å; F240-I244 HydrophobicContact CG-CD1 4.47Å; F240-I244 HydrophobicContact CG-CG1 4.06Å; I244-V246 WeakPolarHBondContact CG2-O 3.46Å; I244-V257 HydrophobicContact CB-CG1 4.35Å; I244-V257 HydrophobicContact CD1-CG1 3.9Å; I244-V257 HydrophobicContact CG1-CG1 3.82Å; I244-V257 HydrophobicContact CG2-CG1 3.6Å
245N96.3Very high91.4Very high52 Ų5252.6 Ų52.628%0.27830%0.295SS..EExtended strand (participates in β ladder)trans-98.1-37.5-179.3-73.8-13.5000112F23 G258 V284F23-N245 WeakPolarHBondContact CE1-O 3.44Å; N245-G258 PolarHBondContact N-O 3.32Å; N245-V284 WeakPolarHBondContact CB-O 3.28Å; N245-V284 PolarHBondContact ND2-O 3.41Å
246V96.6Very high91.9Very high1 Ų152 Ų521%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-136.7140.7-176.858.70000111F23 I244 G258 V284 I287F23-V246 HydrophobicContact CD1-CB 4.26Å; F23-V246 HydrophobicContact CD1-CG2 3.89Å; F23-V246 HydrophobicContact CE1-CB 3.88Å; F23-V246 HydrophobicContact CE1-CG2 3.85Å; I244-V246 WeakPolarHBondContact CG2-O 3.46Å; V246-G258 PolarHBondContact N-O 2.88Å; V246-G258 PolarHBondContact O-N 3.03Å; V246-V284 HydrophobicContact CG1-CB 4.46Å; V246-V284 HydrophobicContact CG1-CG1 3.77Å; V246-I287 HydrophobicContact CG1-CD1 3.72Å; V246-I287 HydrophobicContact CG1-CG1 3.78Å; V246-I287 HydrophobicContact CG2-CB 4.26Å; V246-I287 HydrophobicContact CG2-CD1 4.21Å; V246-I287 HydrophobicContact CG2-CG1 4.12Å
247L95.8Very high92.8Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-134.2139.5178.4-167.2115.6000108.4E203 Y212 A214 I220 L255 L256 V257E203-L247 HydrophobicContact CB-CD2 3.81Å; E203-L247 HydrophobicContact CG-CD2 4Å; E203-L247 WeakPolarHBondContact CG-O 3.47Å; Y212-L247 HydrophobicContact CG-CD2 4.47Å; A214-L247 HydrophobicContact CB-CB 4.26Å; I220-L247 HydrophobicContact CD1-CD1 3.6Å; I220-L247 HydrophobicContact CG1-CD1 3.8Å; I220-L247 HydrophobicContact CG2-CD1 4.15Å; L247-L255 HydrophobicContact CD1-CD1 4.3Å; L247-L255 HydrophobicContact CD2-CD2 3.86Å; L247-L255 HydrophobicContact CG-CD2 4.27Å; L247-L256 CarbonylContact C-O 3.59Å; L247-L256 WeakPolarHBondContact CA-O 3.28Å; L247-V257 HydrophobicContact CD1-CG2 4.08Å
248K95.6Very high93.7Very high35 Ų3539.8 Ų39.815%0.15222%0.22CC..EExtended strand (participates in β ladder)trans-138.9130.7173.1-73.2-64172.5-168.30110.7E203 L255 L256 I287 F289E203-K248 VanDerWaalsContact OE1-CD 3.28Å; E203-K248 WeakPolarHBondContact OE1-CD 3.48Å; E203-K248 WeakPolarHBondContact OE1-CE 3.38Å; E203-K248 IonicContact OE1-NZ 3.81Å; E203-K248 PolarHBondContact OE1-NZ 2.64Å; K248-L255 CarbonylContact O-C 3.48Å; K248-L255 WeakPolarHBondContact O-CA 3.45Å; K248-L256 HydrophobicContact CB-CB 4.2Å; K248-L256 PolarHBondContact N-O 3.14Å; K248-L256 PolarHBondContact O-N 2.98Å; K248-I287 HydrophobicContact CG-CB 4.25Å; K248-I287 HydrophobicContact CG-CG2 4.34Å; K248-F289 HydrophobicContact CB-CE1 3.67Å; K248-F289 HydrophobicContact CB-CZ 4.35Å; K248-F289 HydrophobicContact CD-CE1 4.04Å; K248-F289 HydrophobicContact CG-CD1 4.43Å; K248-F289 HydrophobicContact CG-CE1 3.82Å
249L94.6Very high94.1Very high10 Ų1035.1 Ų35.15%0.05218%0.181CC..EExtended strand (participates in β ladder)trans-88.9132.2176.3-178.569000110.5Y212 G253 L255Y212-L249 HydrophobicContact CE2-CD1 4.06Å; Y212-L249 HydrophobicContact CE2-CD2 4.08Å; L249-G253 WeakPolarHBondContact CD1-O 3.36Å; L249-L255 HydrophobicContact CB-CD2 4.02Å; L249-L255 HydrophobicContact CD1-CD2 3.58Å; L249-L255 HydrophobicContact CD1-CG 4.45Å; L249-L255 HydrophobicContact CG-CD2 4.43Å
250L93Very high94.3Very high23 Ų2332.6 Ų32.612%0.1218%0.175CC..  trans-97.1156.7173.8-55.7177.2000110.7S252 G253 D254 L256 L266 F289 F310L250-S252 PolarHBondContact O-N 2.79Å; L250-S252 VanDerWaalsContact O-N 3.11Å; L250-G253 WeakPolarHBondContact O-CA 3.33Å; L250-G253 PolarHBondContact O-N 2.91Å; L250-D254 WeakPolarHBondContact CB-O 3.38Å; L250-D254 HydrophobicContact CD1-CB 4.47Å; L250-D254 PolarHBondContact N-O 2.78Å; L250-L256 HydrophobicContact CD1-CG 4.35Å; L250-L256 HydrophobicContact CD2-CD1 4.11Å; L250-L256 HydrophobicContact CD2-CG 4.34Å; L250-L256 HydrophobicContact CG-CG 4.5Å; L250-L266 HydrophobicContact CD1-CD1 3.6Å; L250-F289 HydrophobicContact CD2-CD2 4.3Å; L250-F289 HydrophobicContact CD2-CE2 3.57Å; L250-F289 HydrophobicContact CD2-CZ 3.75Å; L250-F310 HydrophobicContact CD1-CE1 4.36Å; L250-F310 HydrophobicContact CD2-CE1 4.15Å; L250-F310 HydrophobicContact CD2-CZ 4.44Å
251E87.8Confident94.5Very high145 Ų14533.1 Ų33.168%0.67818%0.18SC*.THydrogen-bonded Turntrans-54.5-30.1175-59.9-172.8144.600113.8G253 E291E251-G253 PolarHBondContact O-N 2.87Å; E251-G253 VanDerWaalsContact O-N 3.15Å; E251-E291 HydrophobicContact CG-CG 4.18Å; E251-E291 WeakPolarHBondContact CG-OE1 3.48Å
252S88Confident94.6Very high60 Ų6027.9 Ų27.942%0.4215%0.152SC..THydrogen-bonded Turntrans-63.6-17.7175.662.60000113.2L250 D254 K269L250-S252 PolarHBondContact O-N 2.79Å; L250-S252 VanDerWaalsContact O-N 3.11Å; S252-D254 VanDerWaalsContact C-N 3.35Å; S252-D254 PolarHBondContact OG-N 2.9Å; S252-K269 WeakPolarHBondContact O-CD 3.41Å; S252-K269 PolarHBondContact O-NZ 2.87Å
253G89.1Confident94.7Very high17 Ų1721.9 Ų21.918%0.17513%0.125CC..SBendtrans91-9.2-170.300000113.6L249 L250 E251 K269L249-G253 WeakPolarHBondContact CD1-O 3.36Å; L250-G253 WeakPolarHBondContact O-CA 3.33Å; L250-G253 PolarHBondContact O-N 2.91Å; E251-G253 PolarHBondContact O-N 2.87Å; E251-G253 VanDerWaalsContact O-N 3.15Å; G253-K269 WeakPolarHBondContact O-CB 3.2Å
254D93.3Very high94.8Very high39 Ų3921.8 Ų21.821%0.20912%0.124CC..  trans-72158.4177.5-69.5-25.5000111.2L250 S252 L266 C267 S268 K269L250-D254 WeakPolarHBondContact CB-O 3.38Å; L250-D254 HydrophobicContact CD1-CB 4.47Å; L250-D254 PolarHBondContact N-O 2.78Å; S252-D254 VanDerWaalsContact C-N 3.35Å; S252-D254 PolarHBondContact OG-N 2.9Å; D254-L266 HydrophobicContact CB-CD1 4.02Å; D254-C267 WeakPolarHBondContact CA-O 3.35Å; D254-C267 WeakPolarHBondContact CB-O 3.4Å; D254-S268 WeakPolarHBondContact OD1-CA 3.34Å; D254-K269 PolarHBondContact OD1-N 2.85Å
255L94.9Very high94.8Very high0 Ų021.8 Ų21.80%012%0.124CC..EExtended strand (participates in β ladder)trans-114.7127.7-174-67.2173.1000111.1Y212 I220 L247 K248 L249 V257 L266 C267 F272Y212-L255 HydrophobicContact CD1-CD1 3.94Å; Y212-L255 HydrophobicContact CD2-CD2 4.5Å; Y212-L255 HydrophobicContact CE1-CD1 4.34Å; Y212-L255 HydrophobicContact CG-CD1 4.41Å; Y212-L255 HydrophobicContact CG-CD2 4.35Å; I220-L255 HydrophobicContact CD1-CD1 4.11Å; I220-L255 HydrophobicContact CG2-CD1 4.48Å; L247-L255 HydrophobicContact CD1-CD1 4.3Å; L247-L255 HydrophobicContact CD2-CD2 3.86Å; L247-L255 HydrophobicContact CG-CD2 4.27Å; K248-L255 CarbonylContact O-C 3.48Å; K248-L255 WeakPolarHBondContact O-CA 3.45Å; L249-L255 HydrophobicContact CB-CD2 4.02Å; L249-L255 HydrophobicContact CD1-CD2 3.58Å; L249-L255 HydrophobicContact CD1-CG 4.45Å; L249-L255 HydrophobicContact CG-CD2 4.43Å; L255-V257 HydrophobicContact CB-CG2 4.2Å; L255-L266 CarbonylContact O-C 3.59Å; L255-C267 HydrophobicContact CB-CB 4.36Å; L255-C267 PolarHBondContact N-O 3.49Å; L255-C267 PolarHBondContact O-N 3.38Å; L255-F272 HydrophobicContact CD1-CD1 3.58Å; L255-F272 HydrophobicContact CD1-CE1 3.6Å; L255-F272 HydrophobicContact CD1-CG 4.42Å; L255-F272 HydrophobicContact CD1-CZ 4.45Å
256L96.4Very high94.8Very high0 Ų020.2 Ų20.20%012%0.116CC..EExtended strand (participates in β ladder)trans-82.6127.8161.1-75.4176.9000109.4L247 K248 L250 A265 L266 I287 F296 F310 F313L247-L256 CarbonylContact C-O 3.59Å; L247-L256 WeakPolarHBondContact CA-O 3.28Å; K248-L256 HydrophobicContact CB-CB 4.2Å; K248-L256 PolarHBondContact N-O 3.14Å; K248-L256 PolarHBondContact O-N 2.98Å; L250-L256 HydrophobicContact CD1-CG 4.35Å; L250-L256 HydrophobicContact CD2-CD1 4.11Å; L250-L256 HydrophobicContact CD2-CG 4.34Å; L250-L256 HydrophobicContact CG-CG 4.5Å; L256-A265 WeakPolarHBondContact CA-O 3.47Å; L256-L266 HydrophobicContact CD2-CB 4.36Å; L256-L266 HydrophobicContact CD2-CD1 4.01Å; L256-L266 HydrophobicContact CG-CD1 4.44Å; L256-I287 HydrophobicContact CB-CD1 4.23Å; L256-I287 HydrophobicContact CD1-CG2 4.13Å; L256-F296 HydrophobicContact CD1-CE2 4.45Å; L256-F296 HydrophobicContact CD2-CZ 4.46Å; L256-F310 HydrophobicContact CD1-CE1 3.9Å; L256-F310 HydrophobicContact CD1-CZ 4.27Å; L256-F313 HydrophobicContact CD2-CE1 4.38Å; L256-F313 HydrophobicContact CD2-CZ 3.67Å
257V97Very high94.7Very high0 Ų020.2 Ų20.20%012%0.116CC..EExtended strand (participates in β ladder)trans-126.3122.1-174.2-178.30000109.1I220 F240 I244 L247 L255 L264 A265 C267I220-V257 HydrophobicContact CD1-CG2 3.98Å; F240-V257 HydrophobicContact CD2-CG1 4.25Å; F240-V257 HydrophobicContact CE1-CG1 4.31Å; F240-V257 HydrophobicContact CE2-CG1 3.98Å; F240-V257 HydrophobicContact CZ-CB 4.41Å; F240-V257 HydrophobicContact CZ-CG1 4.01Å; I244-V257 HydrophobicContact CB-CG1 4.35Å; I244-V257 HydrophobicContact CD1-CG1 3.9Å; I244-V257 HydrophobicContact CG1-CG1 3.82Å; I244-V257 HydrophobicContact CG2-CG1 3.6Å; L247-V257 HydrophobicContact CD1-CG2 4.08Å; L255-V257 HydrophobicContact CB-CG2 4.2Å; V257-L264 CarbonylContact O-C 3.54Å; V257-L264 WeakPolarHBondContact O-CA 3.34Å; V257-A265 PolarHBondContact N-O 2.84Å; V257-A265 PolarHBondContact O-N 3.4Å; V257-C267 HydrophobicContact CG2-CB 4.18Å
258G97.4Very high94.5Very high0 Ų021.5 Ų21.50%013%0.125CC..EExtended strand (participates in β ladder)trans-107.4120.1170.700000110.7N245 V246N245-G258 PolarHBondContact N-O 3.32Å; V246-G258 PolarHBondContact N-O 2.88Å; V246-G258 PolarHBondContact O-N 3.03Å
259S97.1Very high94.1Very high0 Ų025.3 Ų25.30%014%0.142CC..EExtended strand (participates in β ladder)trans-94.5160.4-178.172.70000113.4G243 S261 G262 I263 V284G243-S259 CarbonylContact O-C 3.53Å; G243-S259 VanDerWaalsContact O-CA 3.32Å; G243-S259 WeakPolarHBondContact O-CA 3.46Å; G243-S259 WeakPolarHBondContact O-CB 3.25Å; S259-S261 PolarHBondContact O-N 2.96Å; S259-S261 PolarHBondContact OG-N 2.79Å; S259-S261 PolarHBondContact OG-OG 3.11Å; S259-S261 VanDerWaalsContact OG-OG 3.1Å; S259-G262 PolarHBondContact O-N 3.39Å; S259-I263 PolarHBondContact N-O 2.84Å; S259-I263 WeakPolarHBondContact OG-CA 3.17Å; S259-I263 WeakPolarHBondContact OG-CB 3.42Å; S259-I263 PolarHBondContact OG-N 2.83Å; S259-I263 PolarHBondContact OG-O 3.44Å; S259-V284 PolarHBondContact O-N 3.22Å
260G96.1Very high93.5Very high16 Ų1629.9 Ų29.917%0.16517%0.17CC..THydrogen-bonded Turntrans-68-11.8172.600000114.4G243 A283G243-G260 PolarHBondContact O-N 3.5Å; G260-A283 WeakPolarHBondContact O-CA 3.48Å; G260-A283 VanDerWaalsContact O-CB 3.31Å; G260-A283 WeakPolarHBondContact O-CB 3.27Å
261S95.4Very high93Very high27 Ų2732 Ų3219%0.18918%0.181CC..THydrogen-bonded Turntrans-940.8175.458.10000113.7N241 S259 Q279N241-S261 WeakPolarHBondContact O-CB 3.31Å; N241-S261 PolarHBondContact O-N 2.84Å; N241-S261 PolarHBondContact O-OG 2.93Å; S259-S261 PolarHBondContact O-N 2.96Å; S259-S261 PolarHBondContact OG-N 2.79Å; S259-S261 PolarHBondContact OG-OG 3.11Å; S259-S261 VanDerWaalsContact OG-OG 3.1Å; S261-Q279 PolarHBondContact O-NE2 3.44Å
262G95.9Very high93Very high0 Ų025.4 Ų25.40%015%0.15CC..SBendtrans874.1-178.600000115.3S259 L264 L280 N282S259-G262 PolarHBondContact O-N 3.39Å; G262-L264 PolarHBondContact O-N 3.29Å; G262-L280 WeakPolarHBondContact O-CB 2.91Å; G262-L280 PolarHBondContact O-N 3.11Å; G262-N282 WeakPolarHBondContact CA-O 3.27Å
263I96.8Very high93.1Very high32 Ų3228.8 Ų28.816%0.16416%0.158CC..EExtended strand (participates in β ladder)trans-73124.6168.6-58170.8000108.6F240 S259 A265 E277F240-I263 HydrophobicContact CE1-CG2 4.38Å; S259-I263 PolarHBondContact N-O 2.84Å; S259-I263 WeakPolarHBondContact OG-CA 3.17Å; S259-I263 WeakPolarHBondContact OG-CB 3.42Å; S259-I263 PolarHBondContact OG-N 2.83Å; S259-I263 PolarHBondContact OG-O 3.44Å; I263-A265 HydrophobicContact CG2-CB 4.32Å; I263-E277 HydrophobicContact CG2-CB 4.09Å
264L97.3Very high93.2Very high0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-105.6122.4164.4173.675.6000108.2V257 G262 E277 V278 L280 V284 I287 F296 V298 L308 F313V257-L264 CarbonylContact O-C 3.54Å; V257-L264 WeakPolarHBondContact O-CA 3.34Å; G262-L264 PolarHBondContact O-N 3.29Å; L264-E277 CarbonylContact O-C 3.51Å; L264-E277 VanDerWaalsContact O-CA 3.27Å; L264-E277 WeakPolarHBondContact O-CA 3.21Å; L264-V278 HydrophobicContact CB-CG1 3.93Å; L264-V278 HydrophobicContact CD2-CG1 3.86Å; L264-V278 HydrophobicContact CG-CG1 4.33Å; L264-V278 PolarHBondContact N-O 2.79Å; L264-V278 PolarHBondContact O-N 3.04Å; L264-L280 HydrophobicContact CB-CD1 4.05Å; L264-L280 HydrophobicContact CB-CG 4.43Å; L264-L280 HydrophobicContact CD2-CD1 4.24Å; L264-V284 HydrophobicContact CB-CG2 4.41Å; L264-I287 HydrophobicContact CD1-CD1 3.6Å; L264-I287 HydrophobicContact CD1-CG1 4.18Å; L264-F296 HydrophobicContact CD2-CE2 3.83Å; L264-F296 HydrophobicContact CD2-CZ 4.06Å; L264-V298 HydrophobicContact CD1-CG2 4.31Å; L264-V298 HydrophobicContact CD2-CG2 3.93Å; L264-L308 HydrophobicContact CD2-CD1 3.96Å; L264-L308 HydrophobicContact CD2-CD2 3.46Å; L264-L308 VanDerWaalsContact CD2-CD2 3.46Å; L264-L308 HydrophobicContact CD2-CG 4.33Å; L264-F313 HydrophobicContact CD2-CE1 4.45Å; L264-F313 HydrophobicContact CG-CE1 4.43Å
265A96.3Very high93.2Very high0 Ų033.4 Ų33.40%019%0.185CC..EExtended strand (participates in β ladder)trans-130.2141.7-174.900000112.9F240 L256 V257 I263 P274 R276 E277F240-A265 HydrophobicContact CE1-CB 3.94Å; F240-A265 HydrophobicContact CZ-CB 4.18Å; L256-A265 WeakPolarHBondContact CA-O 3.47Å; V257-A265 PolarHBondContact N-O 2.84Å; V257-A265 PolarHBondContact O-N 3.4Å; I263-A265 HydrophobicContact CG2-CB 4.32Å; A265-P274 HydrophobicContact CB-CB 4.01Å; A265-R276 CarbonylContact C-O 3.57Å; A265-R276 VanDerWaalsContact CA-O 3.23Å; A265-R276 WeakPolarHBondContact CA-O 3.5Å; A265-E277 HydrophobicContact CB-CB 4.21Å
266L95.7Very high93.1Very high20 Ų2038.6 Ų38.611%0.10520%0.204CC..EExtended strand (participates in β ladder)trans-91.3117.7161.7-179.664.4000108.3L250 D254 L255 L256 P274 V275 R276 F313L250-L266 HydrophobicContact CD1-CD1 3.6Å; D254-L266 HydrophobicContact CB-CD1 4.02Å; L255-L266 CarbonylContact O-C 3.59Å; L256-L266 HydrophobicContact CD2-CB 4.36Å; L256-L266 HydrophobicContact CD2-CD1 4.01Å; L256-L266 HydrophobicContact CG-CD1 4.44Å; L266-P274 CarbonylContact O-C 3.54Å; L266-V275 PolarHBondContact O-N 3.08Å; L266-R276 HydrophobicContact CB-CB 4.39Å; L266-R276 PolarHBondContact N-O 2.67Å; L266-R276 PolarHBondContact O-N 2.88Å; L266-F313 HydrophobicContact CB-CE1 4.22Å; L266-F313 HydrophobicContact CB-CE2 3.97Å; L266-F313 HydrophobicContact CB-CZ 3.53Å; L266-F313 HydrophobicContact CD2-CE2 4.21Å
267C94.6Very high93.1Very high0 Ų044.4 Ų44.40%023%0.231CC..EExtended strand (participates in β ladder)trans-110.1138.7-174.5-62.80000111.3D254 L255 V257 K273D254-C267 WeakPolarHBondContact CA-O 3.35Å; D254-C267 WeakPolarHBondContact CB-O 3.4Å; L255-C267 HydrophobicContact CB-CB 4.36Å; L255-C267 PolarHBondContact N-O 3.49Å; L255-C267 PolarHBondContact O-N 3.38Å; V257-C267 HydrophobicContact CG2-CB 4.18Å; C267-K273 VanDerWaalsContact CA-O 3.28Å; C267-K273 WeakPolarHBondContact CA-O 3.49Å
268S91.9Very high93.1Very high28 Ų2845.9 Ų45.920%0.19624%0.24CC..  trans-67.2138.1178.2178.60000111.4D254 T270 N271 F272 K273D254-S268 WeakPolarHBondContact OD1-CA 3.34Å; S268-T270 PolarHBondContact O-N 2.84Å; S268-T270 PolarHBondContact OG-N 3.19Å; S268-T270 PolarHBondContact OG-OG1 2.97Å; S268-T270 VanDerWaalsContact OG-OG1 3.13Å; S268-N271 PolarHBondContact O-N 2.85Å; S268-F272 VanDerWaalsContact O-CA 3.26Å; S268-F272 WeakPolarHBondContact O-CA 3.38Å; S268-F272 WeakPolarHBondContact O-CD1 3.34Å; S268-F272 PolarHBondContact O-N 2.86Å; S268-K273 PolarHBondContact N-O 2.79Å
269K86.4Confident93.1Very high115 Ų11551.7 Ų51.750%0.527%0.267SS..THydrogen-bonded Turntrans-56.6-21.8175.173.5-175.4172-171.10116.1S252 G253 D254S252-K269 WeakPolarHBondContact O-CD 3.41Å; S252-K269 PolarHBondContact O-NZ 2.87Å; G253-K269 WeakPolarHBondContact O-CB 3.2Å; D254-K269 PolarHBondContact OD1-N 2.85Å
270T83.3Confident93Very high105 Ų10552 Ų5264%0.64427%0.269SS*.THydrogen-bonded Turntrans-85.9-35.9-172.358.20000113.5S268S268-T270 PolarHBondContact O-N 2.84Å; S268-T270 PolarHBondContact OG-N 3.19Å; S268-T270 PolarHBondContact OG-OG1 2.97Å; S268-T270 VanDerWaalsContact OG-OG1 3.13Å
271N82.3Confident92.8Very high68 Ų6854.6 Ų54.636%0.36428%0.277SS..THydrogen-bonded Turntrans-139.70.4-171.264.317.1000113.9S268 K273S268-N271 PolarHBondContact O-N 2.85Å; N271-K273 HydrophobicContact CB-CG 4.4Å; N271-K273 PolarHBondContact O-N 2.8Å; N271-K273 VanDerWaalsContact O-N 3.09Å; N271-K273 VanDerWaalsContact OD1-CB 3.29Å; N271-K273 WeakPolarHBondContact OD1-CB 3.44Å; N271-K273 PolarHBondContact OD1-N 3.27Å
272F88.4Confident92.7Very high7 Ų757 Ų573%0.03129%0.288CS..  trans52.925.7-176.5-46.8-42.1000114.6Y212 I220 T222 I232 A234 L255 S268Y212-F272 HydrophobicContact CD1-CE1 4.33Å; Y212-F272 HydrophobicContact CD1-CZ 4.07Å; Y212-F272 AromaticContact CE1-CE1 3.99Å; Y212-F272 HydrophobicContact CE1-CE1 3.99Å; Y212-F272 AromaticContact CE1-CZ 3.82Å; Y212-F272 HydrophobicContact CE1-CZ 3.82Å; I220-F272 HydrophobicContact CB-CD2 4.15Å; I220-F272 HydrophobicContact CD1-CB 4.09Å; I220-F272 HydrophobicContact CD1-CG 4.22Å; I220-F272 HydrophobicContact CG2-CD2 4.45Å; I220-F272 HydrophobicContact CG2-CE2 4.4Å; T222-F272 WeakPolarHBondContact OG1-CE2 3.44Å; T222-F272 WeakPolarHBondContact OG1-CZ 3.06Å; I232-F272 HydrophobicContact CG2-CE2 4.28Å; A234-F272 HydrophobicContact CB-CD2 3.58Å; A234-F272 HydrophobicContact CB-CE2 4.22Å; A234-F272 HydrophobicContact CB-CG 4.48Å; L255-F272 HydrophobicContact CD1-CD1 3.58Å; L255-F272 HydrophobicContact CD1-CE1 3.6Å; L255-F272 HydrophobicContact CD1-CG 4.42Å; L255-F272 HydrophobicContact CD1-CZ 4.45Å; S268-F272 VanDerWaalsContact O-CA 3.26Å; S268-F272 WeakPolarHBondContact O-CA 3.38Å; S268-F272 WeakPolarHBondContact O-CD1 3.34Å; S268-F272 PolarHBondContact O-N 2.86Å
273K88.7Confident92.7Very high131 Ų13157.2 Ų57.257%0.5729%0.289SS*.  trans-79.6143171.4-67.7-173.8178.4-178.10110.1C267 S268 N271 V275C267-K273 VanDerWaalsContact CA-O 3.28Å; C267-K273 WeakPolarHBondContact CA-O 3.49Å; S268-K273 PolarHBondContact N-O 2.79Å; N271-K273 HydrophobicContact CB-CG 4.4Å; N271-K273 PolarHBondContact O-N 2.8Å; N271-K273 VanDerWaalsContact O-N 3.09Å; N271-K273 VanDerWaalsContact OD1-CB 3.29Å; N271-K273 WeakPolarHBondContact OD1-CB 3.44Å; N271-K273 PolarHBondContact OD1-N 3.27Å; K273-V275 PolarHBondContact O-N 2.89Å
274P91.9Very high92.8Very high63 Ų6355.7 Ų55.741%0.40928%0.282SS..EExtended strand (participates in β ladder)trans-63.3123.4175.427.1-33.7000109.7A265 L266A265-P274 HydrophobicContact CB-CB 4.01Å; L266-P274 CarbonylContact O-C 3.54Å
275V93.1Very high92.8Very high90 Ų9056.4 Ų56.455%0.54529%0.286SS..EExtended strand (participates in β ladder)trans-86.8-37.6169.5-177.50000109.4L266 K273L266-V275 PolarHBondContact O-N 3.08Å; K273-V275 PolarHBondContact O-N 2.89Å
276R93.9Very high92.8Very high108 Ų10856.4 Ų56.441%0.40829%0.286SS..EExtended strand (participates in β ladder)trans-141.4147.6174.3-55.6-178.5-159.6-145.39.9108.7A265 L266 K311 F313A265-R276 CarbonylContact C-O 3.57Å; A265-R276 VanDerWaalsContact CA-O 3.23Å; A265-R276 WeakPolarHBondContact CA-O 3.5Å; L266-R276 HydrophobicContact CB-CB 4.39Å; L266-R276 PolarHBondContact N-O 2.67Å; L266-R276 PolarHBondContact O-N 2.88Å; R276-K311 PolarHBondContact NH1-O 3.09Å; R276-F313 HydrophobicContact CB-CD1 4.27Å; R276-F313 HydrophobicContact CB-CD2 4.2Å; R276-F313 HydrophobicContact CB-CG 4.08Å
277E95.3Very high92.9Very high122 Ų12255.9 Ų55.957%0.5728%0.283SS*.EExtended strand (participates in β ladder)trans-146.1153.4176.162.7-175.2-160.500111I263 L264 A265I263-E277 HydrophobicContact CG2-CB 4.09Å; L264-E277 CarbonylContact O-C 3.51Å; L264-E277 VanDerWaalsContact O-CA 3.27Å; L264-E277 WeakPolarHBondContact O-CA 3.21Å; A265-E277 HydrophobicContact CB-CB 4.21Å
278V96.9Very high93Very high31 Ų3156.1 Ų56.119%0.18829%0.285CS..EExtended strand (participates in β ladder)trans-140.2138.317263.30000108.8L264 L280 L308 F313 A315L264-V278 HydrophobicContact CB-CG1 3.93Å; L264-V278 HydrophobicContact CD2-CG1 3.86Å; L264-V278 HydrophobicContact CG-CG1 4.33Å; L264-V278 PolarHBondContact N-O 2.79Å; L264-V278 PolarHBondContact O-N 3.04Å; V278-L280 HydrophobicContact CG1-CD2 4.24Å; V278-L280 HydrophobicContact CG1-CG 4.5Å; V278-L280 HydrophobicContact CG2-CD2 4.39Å; V278-L308 HydrophobicContact CG1-CD2 3.7Å; V278-F313 HydrophobicContact CG1-CD1 4.24Å; V278-A315 HydrophobicContact CG2-CB 4.02Å
279Q97.1Very high93Very high122 Ų12256.7 Ų56.757%0.5728%0.284SS*.EExtended strand (participates in β ladder)trans-86.5118.9175.1-177.96554.500109.2S261S261-Q279 PolarHBondContact O-NE2 3.44Å
280L96.1Very high93.1Very high7 Ų753.2 Ų53.24%0.03727%0.274CS..  trans-102169.4171.2-54.1-179000110.2G262 L264 V278 N282 V284 V298 T300 Y306 A315G262-L280 WeakPolarHBondContact O-CB 2.91Å; G262-L280 PolarHBondContact O-N 3.11Å; L264-L280 HydrophobicContact CB-CD1 4.05Å; L264-L280 HydrophobicContact CB-CG 4.43Å; L264-L280 HydrophobicContact CD2-CD1 4.24Å; V278-L280 HydrophobicContact CG1-CD2 4.24Å; V278-L280 HydrophobicContact CG1-CG 4.5Å; V278-L280 HydrophobicContact CG2-CD2 4.39Å; L280-N282 PolarHBondContact O-N 2.64Å; L280-V284 HydrophobicContact CD1-CG2 4.13Å; L280-V298 HydrophobicContact CD1-CB 4.3Å; L280-V298 HydrophobicContact CD1-CG1 3.61Å; L280-T300 HydrophobicContact CB-CG2 4.09Å; L280-T300 HydrophobicContact CD1-CG2 4.28Å; L280-Y306 HydrophobicContact CB-CE2 4.34Å; L280-Y306 HydrophobicContact CD1-CD2 4.33Å; L280-Y306 HydrophobicContact CD2-CD1 3.92Å; L280-Y306 HydrophobicContact CD2-CD2 4.29Å; L280-Y306 HydrophobicContact CD2-CE1 4.01Å; L280-Y306 HydrophobicContact CD2-CE2 4.4Å; L280-Y306 HydrophobicContact CD2-CG 4.05Å; L280-A315 HydrophobicContact CD2-CB 3.83Å
281E91.9Very high93Very high70 Ų7052 Ų5233%0.32726%0.261SS..SBendtrans-77.8109.1178.4-162.6172.3164.700110.9T300 Q304 R360E281-T300 WeakPolarHBondContact O-CB 3.34Å; E281-T300 PolarHBondContact O-OG1 3.01Å; E281-T300 VanDerWaalsContact O-OG1 3.13Å; E281-Q304 VanDerWaalsContact CD-NE2 3.3Å; E281-Q304 PolarHBondContact OE2-NE2 3.39Å; E281-Q304 PolarHBondContact OE2-OE1 3.05Å; E281-R360 IonicContact OE1-NH1 2.79Å; E281-R360 PolarHBondContact OE1-NH1 2.83Å; E281-R360 IonicContact OE2-CZ 3.71Å; E281-R360 IonicContact OE2-NH1 2.69Å; E281-R360 PolarHBondContact OE2-NH1 3.17Å
282N92.9Very high92.8Very high78 Ų7852.7 Ų52.742%0.41729%0.285SS..SBendtrans57.3-175.1-178.8-84.7-21.5000114.3G262 L280 V284 E302G262-N282 WeakPolarHBondContact CA-O 3.27Å; L280-N282 PolarHBondContact O-N 2.64Å; N282-V284 PolarHBondContact O-N 3.15Å; N282-E302 HydrophobicContact CB-CG 3.54Å; N282-E302 VanDerWaalsContact ND2-CD 3.34Å; N282-E302 WeakPolarHBondContact ND2-CG 2.96Å; N282-E302 PolarHBondContact ND2-OE1 3.09Å
283A96.4Very high92.7Very high4 Ų456.8 Ų56.83%0.03330%0.304CS..  trans-50132.9-169.800000113.8G260 T300 E301G260-A283 WeakPolarHBondContact O-CA 3.48Å; G260-A283 VanDerWaalsContact O-CB 3.31Å; G260-A283 WeakPolarHBondContact O-CB 3.27Å; A283-T300 CarbonylContact O-C 3.6Å; A283-T300 VanDerWaalsContact O-CA 3.26Å; A283-T300 WeakPolarHBondContact O-CA 3.27Å; A283-T300 WeakPolarHBondContact O-CB 3.49Å; A283-E301 HydrophobicContact CB-CB 4.05Å; A283-E301 WeakPolarHBondContact CB-OE2 3.4Å; A283-E301 PolarHBondContact O-N 2.69Å
284V97.8Very high92.6Very high0 Ų057.5 Ų57.50%031%0.309CS..EExtended strand (participates in β ladder)trans-77.6127.5170-175.70000108.4N245 V246 S259 L264 L280 N282 I287 V298N245-V284 WeakPolarHBondContact CB-O 3.28Å; N245-V284 PolarHBondContact ND2-O 3.41Å; V246-V284 HydrophobicContact CG1-CB 4.46Å; V246-V284 HydrophobicContact CG1-CG1 3.77Å; S259-V284 PolarHBondContact O-N 3.22Å; L264-V284 HydrophobicContact CB-CG2 4.41Å; L280-V284 HydrophobicContact CD1-CG2 4.13Å; N282-V284 PolarHBondContact O-N 3.15Å; V284-I287 HydrophobicContact CG1-CG1 4.28Å; V284-V298 HydrophobicContact CG1-CG1 3.53Å
285T97.3Very high92.7Very high15 Ų1557.4 Ų57.49%0.09230%0.304CS..EExtended strand (participates in β ladder)trans-116.6-19.4-175.460.10000113.4G19 F23 G299 E301G19-T285 VanDerWaalsContact O-CB 3.3Å; G19-T285 WeakPolarHBondContact O-CB 3.45Å; G19-T285 VanDerWaalsContact O-CG2 3.23Å; G19-T285 WeakPolarHBondContact O-CG2 3.26Å; G19-T285 PolarHBondContact O-OG1 2.81Å; F23-T285 PolarHBondContact N-O 2.91Å; T285-G299 PolarHBondContact N-O 2.83Å; T285-G299 PolarHBondContact OG1-O 3.24Å; T285-E301 HydrophobicContact CG2-CB 3.96Å
286S97.1Very high92.8Very high0 Ų053.1 Ų53.10%028%0.278CS..EExtended strand (participates in β ladder)trans-155.1143.4-178.750.50000112L25 V298 G299L25-S286 VanDerWaalsContact CB-OG 3.22Å; L25-S286 WeakPolarHBondContact CB-OG 3.02Å; S286-V298 WeakPolarHBondContact O-CA 3.49Å; S286-G299 PolarHBondContact N-O 3.24Å; S286-G299 PolarHBondContact O-N 3.08Å; S286-G299 WeakPolarHBondContact OG-CA 3.33Å
287I97.3Very high93Very high9 Ų948.9 Ų48.95%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-129.7125173.8-60.2172.7000106.5V246 K248 L256 L264 V284 F289 F296 V298V246-I287 HydrophobicContact CG1-CD1 3.72Å; V246-I287 HydrophobicContact CG1-CG1 3.78Å; V246-I287 HydrophobicContact CG2-CB 4.26Å; V246-I287 HydrophobicContact CG2-CD1 4.21Å; V246-I287 HydrophobicContact CG2-CG1 4.12Å; K248-I287 HydrophobicContact CG-CB 4.25Å; K248-I287 HydrophobicContact CG-CG2 4.34Å; L256-I287 HydrophobicContact CB-CD1 4.23Å; L256-I287 HydrophobicContact CD1-CG2 4.13Å; L264-I287 HydrophobicContact CD1-CD1 3.6Å; L264-I287 HydrophobicContact CD1-CG1 4.18Å; V284-I287 HydrophobicContact CG1-CG1 4.28Å; I287-F289 HydrophobicContact CG2-CD1 4.35Å; I287-F296 HydrophobicContact CG2-CD2 4.18Å; I287-V298 HydrophobicContact CG1-CG2 4.23Å; I287-V298 HydrophobicContact CG2-CG2 4.48Å
288A96Very high93.1Very high5 Ų543.1 Ų43.14%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-126120.1-179.500000109.6L25 L27 Y297L25-A288 HydrophobicContact CD2-CB 4.13Å; L25-A288 HydrophobicContact CG-CB 3.95Å; L27-A288 HydrophobicContact CB-CB 4.09Å; A288-Y297 PolarHBondContact N-O 3.24Å; A288-Y297 PolarHBondContact O-N 3.16Å
289F93.8Very high93.1Very high40 Ų4041.6 Ų41.618%0.17523%0.226CC..  trans-149.1165.3179.975.5-75.1000109.7K248 L250 I287 E291 F296 F310K248-F289 HydrophobicContact CB-CE1 3.67Å; K248-F289 HydrophobicContact CB-CZ 4.35Å; K248-F289 HydrophobicContact CD-CE1 4.04Å; K248-F289 HydrophobicContact CG-CD1 4.43Å; K248-F289 HydrophobicContact CG-CE1 3.82Å; L250-F289 HydrophobicContact CD2-CD2 4.3Å; L250-F289 HydrophobicContact CD2-CE2 3.57Å; L250-F289 HydrophobicContact CD2-CZ 3.75Å; I287-F289 HydrophobicContact CG2-CD1 4.35Å; F289-E291 HydrophobicContact CD2-CG 4.48Å; F289-E291 HydrophobicContact CE2-CG 3.79Å; F289-F296 HydrophobicContact CB-CB 3.46Å; F289-F296 VanDerWaalsContact CB-CB 3.46Å; F289-F310 HydrophobicContact CB-CZ 4.31Å; F289-F310 HydrophobicContact CD2-CZ 4.06Å; F289-F310 HydrophobicContact CG-CZ 4.35Å
290S88.6Confident93.1Very high42 Ų4235.8 Ų35.829%0.29420%0.198SC..  trans-122.6148163.1-1690000108.3M31 E293M31-S290 WeakPolarHBondContact SD-CB 3.45Å; M31-S290 PolarHBondContact SD-OG 3.39Å; S290-E293 PolarHBondContact O-N 2.85Å
291E79.2Confident93.1Very high79 Ų7938.2 Ų38.237%0.36921%0.21SC..THydrogen-bonded Turntrans-69.7142.5179.7-69174.9158.200110.4E251 F289 E293E251-E291 HydrophobicContact CG-CG 4.18Å; E251-E291 WeakPolarHBondContact CG-OE1 3.48Å; F289-E291 HydrophobicContact CD2-CG 4.48Å; F289-E291 HydrophobicContact CE2-CG 3.79Å; E291-E293 VanDerWaalsContact C-N 3.28Å; E291-E293 PolarHBondContact O-N 2.8Å
292G78.6Confident93.1Very high83 Ų8336 Ų3686%0.85620%0.199SC*.THydrogen-bonded Turntrans85-12.8-175.800000115.3
293E85.9Confident93.2Very high93 Ų9332.2 Ų32.244%0.43518%0.179SC..  trans-78147.1175.4-69-60.2146.700112.9M31 S290 E291 Q295 F310M31-E293 HydrophobicContact CE-CG 3.32Å; S290-E293 PolarHBondContact O-N 2.85Å; E291-E293 VanDerWaalsContact C-N 3.28Å; E291-E293 PolarHBondContact O-N 2.8Å; E293-Q295 PolarHBondContact O-N 3.07Å; E293-F310 VanDerWaalsContact O-CD2 3.28Å; E293-F310 WeakPolarHBondContact O-CD2 3.49Å
294E88Confident93.1Very high147 Ų14732 Ų3269%0.68718%0.178SC*.SBendtrans-73.2-20.1174.5-64.4-163.9155.200112.8R309 F310E294-R309 CarbonylContact O-C 3.6Å; E294-R309 VanDerWaalsContact O-CA 3.27Å; E294-R309 WeakPolarHBondContact O-CA 3.25Å; E294-F310 PolarHBondContact O-N 3.47Å
295Q93.8Very high92.9Very high61 Ų6132.1 Ų32.129%0.28518%0.178SC..EExtended strand (participates in β ladder)trans-127.2150.9-168.5-69.4173.615.200112.7E293 R307 L308 R309E293-Q295 PolarHBondContact O-N 3.07Å; Q295-R307 HydrophobicContact CB-CG 4.49Å; Q295-R307 VanDerWaalsContact OE1-CD 3.28Å; Q295-L308 CarbonylContact C-O 3.6Å; Q295-L308 WeakPolarHBondContact CA-O 3.41Å; Q295-R309 HydrophobicContact CG-CG 3.63Å
296F95.8Very high92.9Very high0 Ų032.6 Ų32.60%018%0.178CC..EExtended strand (participates in β ladder)trans-143.1164.2173.665.6-81.8000111.5L256 L264 I287 F289 V298 R307 L308 F310 F313L256-F296 HydrophobicContact CD1-CE2 4.45Å; L256-F296 HydrophobicContact CD2-CZ 4.46Å; L264-F296 HydrophobicContact CD2-CE2 3.83Å; L264-F296 HydrophobicContact CD2-CZ 4.06Å; I287-F296 HydrophobicContact CG2-CD2 4.18Å; F289-F296 HydrophobicContact CB-CB 3.46Å; F289-F296 VanDerWaalsContact CB-CB 3.46Å; F296-V298 HydrophobicContact CD2-CG2 3.74Å; F296-V298 HydrophobicContact CE2-CG2 3.62Å; F296-R307 WeakPolarHBondContact O-CA 3.27Å; F296-L308 HydrophobicContact CD1-CB 4.04Å; F296-L308 HydrophobicContact CD2-CB 4.34Å; F296-L308 HydrophobicContact CD2-CD1 4.44Å; F296-L308 HydrophobicContact CE1-CB 3.55Å; F296-L308 HydrophobicContact CE2-CB 3.91Å; F296-L308 HydrophobicContact CE2-CD1 3.99Å; F296-L308 HydrophobicContact CE2-CG 4.35Å; F296-L308 HydrophobicContact CG-CB 4.41Å; F296-L308 HydrophobicContact CZ-CB 3.48Å; F296-L308 VanDerWaalsContact CZ-CB 3.48Å; F296-L308 HydrophobicContact CZ-CD1 4.33Å; F296-L308 HydrophobicContact CZ-CD2 4.13Å; F296-L308 HydrophobicContact CZ-CG 4.18Å; F296-L308 PolarHBondContact N-O 2.8Å; F296-L308 PolarHBondContact O-N 2.9Å; F296-F310 HydrophobicContact CB-CE2 3.99Å; F296-F310 HydrophobicContact CB-CZ 4.1Å; F296-F310 HydrophobicContact CD1-CD1 4.07Å; F296-F310 AromaticContact CD1-CD2 3.78Å; F296-F310 HydrophobicContact CD1-CD2 3.78Å; F296-F310 AromaticContact CD1-CE1 3.89Å; F296-F310 HydrophobicContact CD1-CE1 3.89Å; F296-F310 AromaticContact CD1-CE2 3.55Å; F296-F310 HydrophobicContact CD1-CE2 3.55Å; F296-F310 HydrophobicContact CD1-CG 4.03Å; F296-F310 AromaticContact CD1-CZ 3.61Å; F296-F310 HydrophobicContact CD1-CZ 3.61Å; F296-F310 HydrophobicContact CE1-CD1 4.01Å; F296-F310 HydrophobicContact CE1-CD2 4.38Å; F296-F310 HydrophobicContact CE1-CE1 4.07Å; F296-F310 HydrophobicContact CE1-CE2 4.42Å; F296-F310 HydrophobicContact CE1-CG 4.18Å; F296-F310 HydrophobicContact CE1-CZ 4.27Å; F296-F310 HydrophobicContact CG-CE2 4.13Å; F296-F310 HydrophobicContact CG-CZ 4.02Å; F296-F313 HydrophobicContact CZ-CE1 4.32Å; F296-F313 HydrophobicContact CZ-CZ 4.12Å
297Y97Very high92.8Very high19 Ų1936.2 Ų36.28%0.07519%0.192CC..EExtended strand (participates in β ladder)trans-118.3142.5-173.2-56.2-89.1000111.2L27 L34 I47 A288 Y306 R307 I318L27-Y297 HydrophobicContact CD1-CE2 4.4Å; L34-Y297 HydrophobicContact CD1-CD1 3.92Å; L34-Y297 HydrophobicContact CD1-CE1 4.01Å; L34-Y297 HydrophobicContact CD1-CG 4.25Å; L34-Y297 HydrophobicContact CD2-CD1 4.32Å; L34-Y297 HydrophobicContact CD2-CD2 3.68Å; L34-Y297 HydrophobicContact CD2-CE2 4.06Å; L34-Y297 HydrophobicContact CD2-CG 3.82Å; I47-Y297 HydrophobicContact CD1-CE2 4.29Å; I47-Y297 WeakPolarHBondContact CG2-OH 3.44Å; A288-Y297 PolarHBondContact N-O 3.24Å; A288-Y297 PolarHBondContact O-N 3.16Å; Y297-Y306 CarbonylContact C-O 3.59Å; Y297-Y306 VanDerWaalsContact CA-O 3.27Å; Y297-Y306 WeakPolarHBondContact CA-O 3.45Å; Y297-R307 HydrophobicContact CD1-CB 4.15Å; Y297-R307 HydrophobicContact CE1-CB 4.13Å; Y297-R307 HydrophobicContact CE1-CG 4.21Å; Y297-I318 HydrophobicContact CD1-CD1 3.71Å; Y297-I318 HydrophobicContact CE1-CD1 3.71Å
298V97.8Very high92.8Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-134.8128.4-176.7179.30000110L264 L280 V284 S286 I287 F296 Y306 L308L264-V298 HydrophobicContact CD1-CG2 4.31Å; L264-V298 HydrophobicContact CD2-CG2 3.93Å; L280-V298 HydrophobicContact CD1-CB 4.3Å; L280-V298 HydrophobicContact CD1-CG1 3.61Å; V284-V298 HydrophobicContact CG1-CG1 3.53Å; S286-V298 WeakPolarHBondContact O-CA 3.49Å; I287-V298 HydrophobicContact CG1-CG2 4.23Å; I287-V298 HydrophobicContact CG2-CG2 4.48Å; F296-V298 HydrophobicContact CD2-CG2 3.74Å; F296-V298 HydrophobicContact CE2-CG2 3.62Å; V298-Y306 PolarHBondContact N-O 3.04Å; V298-Y306 PolarHBondContact O-N 2.83Å; V298-L308 HydrophobicContact CB-CD1 3.87Å; V298-L308 HydrophobicContact CG2-CD1 3.53Å
299G97.4Very high92.6Very high0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-100.913917300000111.3T285 S286 Q304T285-G299 PolarHBondContact N-O 2.83Å; T285-G299 PolarHBondContact OG1-O 3.24Å; S286-G299 PolarHBondContact N-O 3.24Å; S286-G299 PolarHBondContact O-N 3.08Å; S286-G299 WeakPolarHBondContact OG-CA 3.33Å; G299-Q304 WeakPolarHBondContact CA-O 3.48Å
300T97.2Very high92.5Very high0 Ų041.1 Ų41.10%021%0.209CC..EExtended strand (participates in β ladder)trans-114161174.278.50000112G19 L280 E281 A283 E302 A303 Q304 Y306G19-T300 WeakPolarHBondContact CA-O 3.19Å; L280-T300 HydrophobicContact CB-CG2 4.09Å; L280-T300 HydrophobicContact CD1-CG2 4.28Å; E281-T300 WeakPolarHBondContact O-CB 3.34Å; E281-T300 PolarHBondContact O-OG1 3.01Å; E281-T300 VanDerWaalsContact O-OG1 3.13Å; A283-T300 CarbonylContact O-C 3.6Å; A283-T300 VanDerWaalsContact O-CA 3.26Å; A283-T300 WeakPolarHBondContact O-CA 3.27Å; A283-T300 WeakPolarHBondContact O-CB 3.49Å; T300-E302 PolarHBondContact O-N 3.33Å; T300-A303 PolarHBondContact O-N 3.48Å; T300-Q304 PolarHBondContact N-O 2.69Å; T300-Q304 WeakPolarHBondContact OG1-CB 3.36Å; T300-Y306 HydrophobicContact CG2-CD2 3.96Å; T300-Y306 HydrophobicContact CG2-CE2 3.78Å
301E95.2Very high92.5Very high58 Ų5847.8 Ų47.827%0.27123%0.233SC..THydrogen-bonded Turntrans-59.8-25.9178.8-169.9-179-178.900113.1A283 T285 A303 R323A283-E301 HydrophobicContact CB-CB 4.05Å; A283-E301 WeakPolarHBondContact CB-OE2 3.4Å; A283-E301 PolarHBondContact O-N 2.69Å; T285-E301 HydrophobicContact CG2-CB 3.96Å; E301-A303 PolarHBondContact O-N 2.82Å; E301-A303 VanDerWaalsContact O-N 3.11Å; E301-R323 IonicContact OE1-CZ 3.08Å; E301-R323 VanDerWaalsContact OE1-CZ 3.24Å; E301-R323 IonicContact OE1-NH1 3.57Å; E301-R323 PolarHBondContact OE1-NH1 2.73Å; E301-R323 IonicContact OE1-NH2 3.35Å; E301-R323 PolarHBondContact OE1-NH2 3.03Å
302E92.6Very high93Very high22 Ų2247.5 Ų47.510%0.10323%0.234CC..THydrogen-bonded Turntrans-80.923.4177.4-68.7-57.4144.300114.2N282 T300 Q304 R323N282-E302 HydrophobicContact CB-CG 3.54Å; N282-E302 VanDerWaalsContact ND2-CD 3.34Å; N282-E302 WeakPolarHBondContact ND2-CG 2.96Å; N282-E302 PolarHBondContact ND2-OE1 3.09Å; T300-E302 PolarHBondContact O-N 3.33Å; E302-Q304 VanDerWaalsContact C-N 3.28Å; E302-Q304 HydrophobicContact CB-CG 4.3Å; E302-Q304 WeakPolarHBondContact O-CG 3.39Å; E302-Q304 PolarHBondContact O-N 3.39Å; E302-R323 WeakPolarHBondContact OE1-CD 3.27Å; E302-R323 IonicContact OE1-CZ 2.94Å; E302-R323 IonicContact OE1-NE 2.68Å; E302-R323 IonicContact OE1-NH1 3.78Å; E302-R323 PolarHBondContact OE1-NH1 3.39Å; E302-R323 WeakPolarHBondContact OE2-CD 3.32Å
303A93.8Very high93.7Very high0 Ų044 Ų440%020%0.195CC..THydrogen-bonded Turntrans57.740.2179.700000112.6F17 T300 E301 T320 G321F17-A303 WeakPolarHBondContact O-CA 3.28Å; F17-A303 WeakPolarHBondContact O-CB 3.43Å; T300-A303 PolarHBondContact O-N 3.48Å; E301-A303 PolarHBondContact O-N 2.82Å; E301-A303 VanDerWaalsContact O-N 3.11Å; A303-T320 CarbonylContact O-C 3.51Å; A303-G321 PolarHBondContact O-N 2.84Å
304Q94.3Very high94Very high0 Ų041.6 Ų41.60%019%0.191CC..EExtended strand (participates in β ladder)trans-114.5142.1178.3-55.4-168.5-11.600112.3E281 G299 T300 E302 Y306 L317 T320 R360E281-Q304 VanDerWaalsContact CD-NE2 3.3Å; E281-Q304 PolarHBondContact OE2-NE2 3.39Å; E281-Q304 PolarHBondContact OE2-OE1 3.05Å; G299-Q304 WeakPolarHBondContact CA-O 3.48Å; T300-Q304 PolarHBondContact N-O 2.69Å; T300-Q304 WeakPolarHBondContact OG1-CB 3.36Å; E302-Q304 VanDerWaalsContact C-N 3.28Å; E302-Q304 HydrophobicContact CB-CG 4.3Å; E302-Q304 WeakPolarHBondContact O-CG 3.39Å; E302-Q304 PolarHBondContact O-N 3.39Å; Q304-Y306 HydrophobicContact CB-CD2 4.29Å; Q304-Y306 HydrophobicContact CB-CE2 3.67Å; Q304-Y306 VanDerWaalsContact OE1-CZ 3.26Å; Q304-Y306 PolarHBondContact OE1-OH 3.08Å; Q304-L317 HydrophobicContact CB-CD1 3.94Å; Q304-L317 HydrophobicContact CG-CD1 4.45Å; Q304-T320 HydrophobicContact CG-CG2 4.42Å; Q304-R360 VanDerWaalsContact NE2-NH1 3.12Å; Q304-R360 VanDerWaalsContact NE2-NH2 3.12Å
305L95Very high94.4Very high2 Ų236.7 Ų36.71%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-118.5117.2178.4-177.267.1000109.8L25 L34 I318 S319L25-L305 HydrophobicContact CD1-CD1 3.88Å; L25-L305 HydrophobicContact CD2-CD1 3.34Å; L25-L305 HydrophobicContact CG-CD1 4.25Å; L34-L305 HydrophobicContact CD1-CD2 4.09Å; L305-I318 HydrophobicContact CD2-CD1 4.47Å; L305-I318 HydrophobicContact CG-CD1 4.39Å; L305-I318 PolarHBondContact O-N 3.25Å; L305-S319 PolarHBondContact N-O 2.95Å; L305-S319 PolarHBondContact O-N 2.78Å
306Y96.2Very high94.4Very high25 Ų2538.5 Ų38.510%0.09818%0.184CC..EExtended strand (participates in β ladder)trans-105.3148.3177.8-68.3-93.4000111L280 Y297 V298 T300 Q304 A315 E316 L317L280-Y306 HydrophobicContact CB-CE2 4.34Å; L280-Y306 HydrophobicContact CD1-CD2 4.33Å; L280-Y306 HydrophobicContact CD2-CD1 3.92Å; L280-Y306 HydrophobicContact CD2-CD2 4.29Å; L280-Y306 HydrophobicContact CD2-CE1 4.01Å; L280-Y306 HydrophobicContact CD2-CE2 4.4Å; L280-Y306 HydrophobicContact CD2-CG 4.05Å; Y297-Y306 CarbonylContact C-O 3.59Å; Y297-Y306 VanDerWaalsContact CA-O 3.27Å; Y297-Y306 WeakPolarHBondContact CA-O 3.45Å; V298-Y306 PolarHBondContact N-O 3.04Å; V298-Y306 PolarHBondContact O-N 2.83Å; T300-Y306 HydrophobicContact CG2-CD2 3.96Å; T300-Y306 HydrophobicContact CG2-CE2 3.78Å; Q304-Y306 HydrophobicContact CB-CD2 4.29Å; Q304-Y306 HydrophobicContact CB-CE2 3.67Å; Q304-Y306 VanDerWaalsContact OE1-CZ 3.26Å; Q304-Y306 PolarHBondContact OE1-OH 3.08Å; Y306-A315 HydrophobicContact CD1-CB 4.12Å; Y306-E316 CarbonylContact C-O 3.52Å; Y306-E316 VanDerWaalsContact CA-O 3.31Å; Y306-E316 WeakPolarHBondContact CA-O 3.28Å; Y306-L317 HydrophobicContact CD1-CB 4.25Å; Y306-L317 HydrophobicContact CD1-CD1 4.27Å; Y306-L317 HydrophobicContact CD2-CD1 4.39Å; Y306-L317 HydrophobicContact CE1-CB 4.04Å; Y306-L317 HydrophobicContact CE1-CD1 3.95Å; Y306-L317 HydrophobicContact CE2-CD1 4.05Å; Y306-L317 HydrophobicContact CG-CD1 4.5Å
307R95.8Very high94.3Very high75 Ų7542.2 Ų42.228%0.28320%0.203SC..EExtended strand (participates in β ladder)trans-113.7132164.1170.5173.279.9175.8-1.9108.8Q295 F296 Y297 E316 I318Q295-R307 HydrophobicContact CB-CG 4.49Å; Q295-R307 VanDerWaalsContact OE1-CD 3.28Å; F296-R307 WeakPolarHBondContact O-CA 3.27Å; Y297-R307 HydrophobicContact CD1-CB 4.15Å; Y297-R307 HydrophobicContact CE1-CB 4.13Å; Y297-R307 HydrophobicContact CE1-CG 4.21Å; R307-E316 IonicContact CZ-OE2 3.18Å; R307-E316 VanDerWaalsContact CZ-OE2 3.28Å; R307-E316 PolarHBondContact N-O 2.87Å; R307-E316 IonicContact NE-OE2 2.77Å; R307-E316 PolarHBondContact NE-OE2 3Å; R307-E316 VanDerWaalsContact NH2-CD 3.26Å; R307-E316 IonicContact NH2-OE1 3.84Å; R307-E316 PolarHBondContact NH2-OE1 2.92Å; R307-E316 VanDerWaalsContact NH2-OE1 3.16Å; R307-E316 IonicContact NH2-OE2 3.38Å; R307-E316 PolarHBondContact NH2-OE2 2.91Å; R307-E316 PolarHBondContact O-N 2.84Å; R307-I318 HydrophobicContact CB-CD1 3.32Å; R307-I318 HydrophobicContact CB-CG1 3.73Å; R307-I318 HydrophobicContact CG-CD1 4.41Å
308L96Very high94Very high0 Ų044.5 Ų44.50%022%0.216CC..EExtended strand (participates in β ladder)trans-126.3153.4-179.1-65.3101000110.1L264 V278 Q295 F296 V298 A314 A315L264-L308 HydrophobicContact CD2-CD1 3.96Å; L264-L308 HydrophobicContact CD2-CD2 3.46Å; L264-L308 VanDerWaalsContact CD2-CD2 3.46Å; L264-L308 HydrophobicContact CD2-CG 4.33Å; V278-L308 HydrophobicContact CG1-CD2 3.7Å; Q295-L308 CarbonylContact C-O 3.6Å; Q295-L308 WeakPolarHBondContact CA-O 3.41Å; F296-L308 HydrophobicContact CD1-CB 4.04Å; F296-L308 HydrophobicContact CD2-CB 4.34Å; F296-L308 HydrophobicContact CD2-CD1 4.44Å; F296-L308 HydrophobicContact CE1-CB 3.55Å; F296-L308 HydrophobicContact CE2-CB 3.91Å; F296-L308 HydrophobicContact CE2-CD1 3.99Å; F296-L308 HydrophobicContact CE2-CG 4.35Å; F296-L308 HydrophobicContact CG-CB 4.41Å; F296-L308 HydrophobicContact CZ-CB 3.48Å; F296-L308 VanDerWaalsContact CZ-CB 3.48Å; F296-L308 HydrophobicContact CZ-CD1 4.33Å; F296-L308 HydrophobicContact CZ-CD2 4.13Å; F296-L308 HydrophobicContact CZ-CG 4.18Å; F296-L308 PolarHBondContact N-O 2.8Å; F296-L308 PolarHBondContact O-N 2.9Å; V298-L308 HydrophobicContact CB-CD1 3.87Å; V298-L308 HydrophobicContact CG2-CD1 3.53Å; L308-A314 WeakPolarHBondContact CA-O 3.36Å; L308-A315 HydrophobicContact CD2-CB 3.84Å; L308-A315 HydrophobicContact CG-CB 4.05Å
309R93.8Very high93.5Very high109 Ų10945.5 Ų45.541%0.41122%0.223SC..EExtended strand (participates in β ladder)trans-105.4134.8171-72.5176.4-61.9173.51.4110.2E294 Q295 K311 D312 F313E294-R309 CarbonylContact O-C 3.6Å; E294-R309 VanDerWaalsContact O-CA 3.27Å; E294-R309 WeakPolarHBondContact O-CA 3.25Å; Q295-R309 HydrophobicContact CG-CG 3.63Å; R309-K311 PolarHBondContact O-N 2.95Å; R309-D312 WeakPolarHBondContact CB-OD1 3.45Å; R309-D312 IonicContact CZ-OD1 3.99Å; R309-D312 IonicContact CZ-OD2 3.42Å; R309-D312 IonicContact NE-OD1 2.74Å; R309-D312 IonicContact NE-OD2 3.53Å; R309-D312 IonicContact NH1-OD2 3.23Å; R309-D312 IonicContact NH2-OD1 2.96Å; R309-D312 IonicContact NH2-OD2 3.18Å; R309-D312 PolarHBondContact NH2-OD2 3.49Å; R309-F313 VanDerWaalsContact O-CA 3.31Å; R309-F313 WeakPolarHBondContact O-CA 3.4Å; R309-F313 PolarHBondContact O-N 2.79Å
310F90.4Very high93.2Very high48 Ų4846.1 Ų46.121%0.21123%0.227CC..THydrogen-bonded Turntrans-60.8-32.8176.9-76.9-78.8000112.7L250 L256 F289 E293 E294 F296 D312L250-F310 HydrophobicContact CD1-CE1 4.36Å; L250-F310 HydrophobicContact CD2-CE1 4.15Å; L250-F310 HydrophobicContact CD2-CZ 4.44Å; L256-F310 HydrophobicContact CD1-CE1 3.9Å; L256-F310 HydrophobicContact CD1-CZ 4.27Å; F289-F310 HydrophobicContact CB-CZ 4.31Å; F289-F310 HydrophobicContact CD2-CZ 4.06Å; F289-F310 HydrophobicContact CG-CZ 4.35Å; E293-F310 VanDerWaalsContact O-CD2 3.28Å; E293-F310 WeakPolarHBondContact O-CD2 3.49Å; E294-F310 PolarHBondContact O-N 3.47Å; F296-F310 HydrophobicContact CB-CE2 3.99Å; F296-F310 HydrophobicContact CB-CZ 4.1Å; F296-F310 HydrophobicContact CD1-CD1 4.07Å; F296-F310 AromaticContact CD1-CD2 3.78Å; F296-F310 HydrophobicContact CD1-CD2 3.78Å; F296-F310 AromaticContact CD1-CE1 3.89Å; F296-F310 HydrophobicContact CD1-CE1 3.89Å; F296-F310 AromaticContact CD1-CE2 3.55Å; F296-F310 HydrophobicContact CD1-CE2 3.55Å; F296-F310 HydrophobicContact CD1-CG 4.03Å; F296-F310 AromaticContact CD1-CZ 3.61Å; F296-F310 HydrophobicContact CD1-CZ 3.61Å; F296-F310 HydrophobicContact CE1-CD1 4.01Å; F296-F310 HydrophobicContact CE1-CD2 4.38Å; F296-F310 HydrophobicContact CE1-CE1 4.07Å; F296-F310 HydrophobicContact CE1-CE2 4.42Å; F296-F310 HydrophobicContact CE1-CG 4.18Å; F296-F310 HydrophobicContact CE1-CZ 4.27Å; F296-F310 HydrophobicContact CG-CE2 4.13Å; F296-F310 HydrophobicContact CG-CZ 4.02Å; F310-D312 PolarHBondContact O-N 3.33Å
311K89.2Confident93Very high183 Ų18346.1 Ų46.180%0.79623%0.227SC*.THydrogen-bonded Turntrans-65-39-175.4-176.7177.5178.6178.70114R276 R309R276-K311 PolarHBondContact NH1-O 3.09Å; R309-K311 PolarHBondContact O-N 2.95Å
312D90Very high92.9Very high73 Ų7343.5 Ų43.539%0.3921%0.214SC..THydrogen-bonded Turntrans-130.3-4.9-172.862.95.5000114.2R309 F310 A314R309-D312 WeakPolarHBondContact CB-OD1 3.45Å; R309-D312 IonicContact CZ-OD1 3.99Å; R309-D312 IonicContact CZ-OD2 3.42Å; R309-D312 IonicContact NE-OD1 2.74Å; R309-D312 IonicContact NE-OD2 3.53Å; R309-D312 IonicContact NH1-OD2 3.23Å; R309-D312 IonicContact NH2-OD1 2.96Å; R309-D312 IonicContact NH2-OD2 3.18Å; R309-D312 PolarHBondContact NH2-OD2 3.49Å; F310-D312 PolarHBondContact O-N 3.33Å; D312-A314 PolarHBondContact O-N 2.97Å; D312-A314 VanDerWaalsContact O-N 3.14Å; D312-A314 VanDerWaalsContact OD1-CB 3.26Å; D312-A314 WeakPolarHBondContact OD1-CB 3.33Å; D312-A314 PolarHBondContact OD1-N 3Å
313F92.5Very high92.8Very high10 Ų1046.6 Ų46.64%0.04423%0.225CC..  trans5721.1-175.7-96.7-114.1000113.6L256 L264 L266 R276 V278 F296 R309 A315L256-F313 HydrophobicContact CD2-CE1 4.38Å; L256-F313 HydrophobicContact CD2-CZ 3.67Å; L264-F313 HydrophobicContact CD2-CE1 4.45Å; L264-F313 HydrophobicContact CG-CE1 4.43Å; L266-F313 HydrophobicContact CB-CE1 4.22Å; L266-F313 HydrophobicContact CB-CE2 3.97Å; L266-F313 HydrophobicContact CB-CZ 3.53Å; L266-F313 HydrophobicContact CD2-CE2 4.21Å; R276-F313 HydrophobicContact CB-CD1 4.27Å; R276-F313 HydrophobicContact CB-CD2 4.2Å; R276-F313 HydrophobicContact CB-CG 4.08Å; V278-F313 HydrophobicContact CG1-CD1 4.24Å; F296-F313 HydrophobicContact CZ-CE1 4.32Å; F296-F313 HydrophobicContact CZ-CZ 4.12Å; R309-F313 VanDerWaalsContact O-CA 3.31Å; R309-F313 WeakPolarHBondContact O-CA 3.4Å; R309-F313 PolarHBondContact O-N 2.79Å; F313-A315 PolarHBondContact O-N 3.21Å
314A93.1Very high92.8Very high42 Ų4248.8 Ų48.835%0.34724%0.241SC..  trans-68.4119.4176.800000109.8L308 D312L308-A314 WeakPolarHBondContact CA-O 3.36Å; D312-A314 PolarHBondContact O-N 2.97Å; D312-A314 VanDerWaalsContact O-N 3.14Å; D312-A314 VanDerWaalsContact OD1-CB 3.26Å; D312-A314 WeakPolarHBondContact OD1-CB 3.33Å; D312-A314 PolarHBondContact OD1-N 3Å
315A94.9Very high92.7Very high43 Ų4349.6 Ų49.636%0.35525%0.246SC..EExtended strand (participates in β ladder)trans-91.5121.8179.400000111.7V278 L280 Y306 L308 F313V278-A315 HydrophobicContact CG2-CB 4.02Å; L280-A315 HydrophobicContact CD2-CB 3.83Å; Y306-A315 HydrophobicContact CD1-CB 4.12Å; L308-A315 HydrophobicContact CD2-CB 3.84Å; L308-A315 HydrophobicContact CG-CB 4.05Å; F313-A315 PolarHBondContact O-N 3.21Å
316E94.8Very high92.8Very high100 Ų10049.5 Ų49.547%0.46725%0.246SC..EExtended strand (participates in β ladder)trans-111.5122.4174.4-174.9-173.8174.900109.7Y306 R307 I318Y306-E316 CarbonylContact C-O 3.52Å; Y306-E316 VanDerWaalsContact CA-O 3.31Å; Y306-E316 WeakPolarHBondContact CA-O 3.28Å; R307-E316 IonicContact CZ-OE2 3.18Å; R307-E316 VanDerWaalsContact CZ-OE2 3.28Å; R307-E316 PolarHBondContact N-O 2.87Å; R307-E316 IonicContact NE-OE2 2.77Å; R307-E316 PolarHBondContact NE-OE2 3Å; R307-E316 VanDerWaalsContact NH2-CD 3.26Å; R307-E316 IonicContact NH2-OE1 3.84Å; R307-E316 PolarHBondContact NH2-OE1 2.92Å; R307-E316 VanDerWaalsContact NH2-OE1 3.16Å; R307-E316 IonicContact NH2-OE2 3.38Å; R307-E316 PolarHBondContact NH2-OE2 2.91Å; R307-E316 PolarHBondContact O-N 2.84Å; E316-I318 PolarHBondContact O-N 2.95Å
317L92.8Very high92.7Very high77 Ų7753.1 Ų53.140%0.40326%0.262SS..EExtended strand (participates in β ladder)trans-77.3113.6175.9-17862.2000110.2Q304 Y306 T320Q304-L317 HydrophobicContact CB-CD1 3.94Å; Q304-L317 HydrophobicContact CG-CD1 4.45Å; Y306-L317 HydrophobicContact CD1-CB 4.25Å; Y306-L317 HydrophobicContact CD1-CD1 4.27Å; Y306-L317 HydrophobicContact CD2-CD1 4.39Å; Y306-L317 HydrophobicContact CE1-CB 4.04Å; Y306-L317 HydrophobicContact CE1-CD1 3.95Å; Y306-L317 HydrophobicContact CE2-CD1 4.05Å; Y306-L317 HydrophobicContact CG-CD1 4.5Å; L317-T320 HydrophobicContact CD1-CG2 3.87Å; L317-T320 HydrophobicContact CD2-CG2 3.52Å; L317-T320 HydrophobicContact CG-CG2 3.87Å
318I90.5Very high92.7Very high67 Ų6750.6 Ų50.634%0.34425%0.254SS..EExtended strand (participates in β ladder)trans-88.7-43.9-179.1-55.8165.7000111.1Y297 L305 R307 E316Y297-I318 HydrophobicContact CD1-CD1 3.71Å; Y297-I318 HydrophobicContact CE1-CD1 3.71Å; L305-I318 HydrophobicContact CD2-CD1 4.47Å; L305-I318 HydrophobicContact CG-CD1 4.39Å; L305-I318 PolarHBondContact O-N 3.25Å; R307-I318 HydrophobicContact CB-CD1 3.32Å; R307-I318 HydrophobicContact CB-CG1 3.73Å; R307-I318 HydrophobicContact CG-CD1 4.41Å; E316-I318 PolarHBondContact O-N 2.95Å
319S88.2Confident92.6Very high22 Ų2250.6 Ų50.615%0.15425%0.254CS..EExtended strand (participates in β ladder)trans-145.9142.9-172-164.40000110.5L305L305-S319 PolarHBondContact N-O 2.95Å; L305-S319 PolarHBondContact O-N 2.78Å
320T92.1Very high92.5Very high12 Ų1245.5 Ų45.57%0.07424%0.236CC..EExtended strand (participates in β ladder)trans-125.2152.2170.965.20000109.1I15 A303 Q304 L317 W350 E357I15-T320 WeakPolarHBondContact CG2-O 3.25Å; A303-T320 CarbonylContact O-C 3.51Å; Q304-T320 HydrophobicContact CG-CG2 4.42Å; L317-T320 HydrophobicContact CD1-CG2 3.87Å; L317-T320 HydrophobicContact CD2-CG2 3.52Å; L317-T320 HydrophobicContact CG-CG2 3.87Å; T320-W350 WeakPolarHBondContact OG1-CH2 3.39Å; T320-W350 WeakPolarHBondContact OG1-CZ3 3.44Å; T320-E357 VanDerWaalsContact CB-OE2 3.25Å; T320-E357 WeakPolarHBondContact CB-OE2 3.43Å; T320-E357 PolarHBondContact OG1-OE2 2.66Å
321G91.4Very high92.5Very high0 Ų044.4 Ų44.40%023%0.232CC..  trans-147-179.8172.500000110.3A303 R348A303-G321 PolarHBondContact O-N 2.84Å; G321-R348 PolarHBondContact O-NH1 3.34Å; G321-R348 PolarHBondContact O-NH2 3.12Å
322H93.6Very high92.3Very high3 Ų336.3 Ų36.31%0.01420%0.198CC..  trans-85.2136.6172.3-73.1-69.8000110.4S324 V326 T341 S343 W350H322-S324 VanDerWaalsContact C-N 3.33Å; H322-V326 HydrophobicContact CB-CG2 4.08Å; H322-T341 PolarHBondContact NE2-OG1 3.06Å; H322-S343 VanDerWaalsContact ND1-CB 3.26Å; H322-S343 WeakPolarHBondContact ND1-CB 3.47Å; H322-W350 AromaticContact NE2-CZ2 3.98Å
323R91.6Very high91.6Very high87 Ų8736 Ų3633%0.32819%0.194SC..SBendtrans-71.7-29172.8174.1-178.9165.9157.79.8112.6Q20 E301 E302Q20-R323 PolarHBondContact NE2-O 3.27Å; E301-R323 IonicContact OE1-CZ 3.08Å; E301-R323 VanDerWaalsContact OE1-CZ 3.24Å; E301-R323 IonicContact OE1-NH1 3.57Å; E301-R323 PolarHBondContact OE1-NH1 2.73Å; E301-R323 IonicContact OE1-NH2 3.35Å; E301-R323 PolarHBondContact OE1-NH2 3.03Å; E302-R323 WeakPolarHBondContact OE1-CD 3.27Å; E302-R323 IonicContact OE1-CZ 2.94Å; E302-R323 IonicContact OE1-NE 2.68Å; E302-R323 IonicContact OE1-NH1 3.78Å; E302-R323 PolarHBondContact OE1-NH1 3.39Å; E302-R323 WeakPolarHBondContact OE2-CD 3.32Å
324S92.1Very high90.2Very high47 Ų4738.7 Ų38.733%0.32922%0.218SC..SBendtrans-119.3170.9-175.953.40000112.7H322 V326 S343 G344 G599H322-S324 VanDerWaalsContact C-N 3.33Å; S324-V326 PolarHBondContact O-N 2.86Å; S324-S343 PolarHBondContact O-OG 2.83Å; S324-S343 PolarHBondContact OG-OG 2.81Å; S324-G344 WeakPolarHBondContact OG-CA 3.38Å; S324-G344 PolarHBondContact OG-N 3.1Å; S324-G599 WeakPolarHBondContact O-CA 3.37Å
325S93.7Very high89Confident16 Ų1639.9 Ų39.911%0.11222%0.221CC..  trans-50118.9171.7170.30000112.4K327 S343 E597S325-K327 PolarHBondContact O-N 3.5Å; S325-K327 PolarHBondContact OG-NZ 3.19Å; S325-S343 VanDerWaalsContact C-OG 3.32Å; S325-S343 PolarHBondContact O-OG 2.82Å; S325-E597 WeakPolarHBondContact CA-O 3.13Å; S325-E597 VanDerWaalsContact CB-O 3.24Å; S325-E597 WeakPolarHBondContact CB-O 2.91Å; S325-E597 PolarHBondContact N-O 2.98Å
326V95.8Very high87.6Confident0 Ų038.8 Ų38.80%021%0.211CC..EExtended strand (participates in β ladder)trans-69.6123.6172.6-175.60000108.3H322 S324 V329 C342 T581 A595 I601H322-V326 HydrophobicContact CB-CG2 4.08Å; S324-V326 PolarHBondContact O-N 2.86Å; V326-V329 HydrophobicContact CG1-CG2 4.44Å; V326-C342 CarbonylContact C-O 3.5Å; V326-C342 WeakPolarHBondContact CA-O 3.4Å; V326-C342 WeakPolarHBondContact CG1-O 3.34Å; V326-T581 VanDerWaalsContact O-CB 3.23Å; V326-T581 WeakPolarHBondContact O-CB 3.45Å; V326-T581 PolarHBondContact O-OG1 3.44Å; V326-A595 HydrophobicContact CB-CB 3.78Å; V326-A595 HydrophobicContact CG1-CB 3.59Å; V326-A595 HydrophobicContact CG2-CB 4.44Å; V326-I601 HydrophobicContact CG2-CG1 4.34Å
327K94.9Very high86.9Confident101 Ų10141.5 Ų41.544%0.43922%0.221SC..EExtended strand (participates in β ladder)trans-91-38.4-175.2-61-53.7-175.9-167.50112.8S325 C342S325-K327 PolarHBondContact O-N 3.5Å; S325-K327 PolarHBondContact OG-NZ 3.19Å; K327-C342 PolarHBondContact N-O 2.62Å
328D95.1Very high86.7Confident23 Ų2339 Ų3912%0.12321%0.208CC..EExtended strand (participates in β ladder)trans-150.9158.1-178.4-160.116.4000112.5T341 C342 I371 C582 R584D328-T341 WeakPolarHBondContact O-CA 3.37Å; D328-C342 PolarHBondContact N-SG 3.26Å; D328-C342 VanDerWaalsContact N-SG 3.39Å; D328-C342 PolarHBondContact O-N 3.25Å; D328-I371 HydrophobicContact CB-CG1 4.07Å; D328-I371 PolarHBondContact OD2-N 2.66Å; D328-C582 PolarHBondContact OD1-SG 2.88Å; D328-R584 IonicContact OD1-CZ 2.87Å; D328-R584 IonicContact OD1-NH2 3.9Å; D328-R584 PolarHBondContact OD1-NH2 3.43Å; D328-R584 IonicContact OD2-NH2 3.52Å
329V94.8Very high86.7Confident0 Ų035.8 Ų35.80%019%0.191CC..EExtended strand (participates in β ladder)trans-130.4132.4178.3-177.50000108.2V326 F339 A340 T341 C582 R584 V593 A595V326-V329 HydrophobicContact CG1-CG2 4.44Å; V329-F339 HydrophobicContact CG1-CD2 4.3Å; V329-A340 CarbonylContact C-O 3.53Å; V329-A340 WeakPolarHBondContact CA-O 3.35Å; V329-T341 HydrophobicContact CG1-CG2 4.43Å; V329-T341 HydrophobicContact CG2-CG2 4.14Å; V329-C582 HydrophobicContact CG2-CB 4.2Å; V329-C582 PolarHBondContact N-SG 2.68Å; V329-R584 HydrophobicContact CB-CG 3.9Å; V329-R584 HydrophobicContact CG1-CB 4.34Å; V329-R584 HydrophobicContact CG1-CG 3.94Å; V329-R584 WeakPolarHBondContact O-CG 3.34Å; V329-R584 PolarHBondContact O-NE 3.25Å; V329-R584 PolarHBondContact O-NH2 3.28Å; V329-R584 VanDerWaalsContact O-NH2 3.16Å; V329-V593 HydrophobicContact CG1-CB 4.3Å; V329-V593 HydrophobicContact CG1-CG1 3.92Å; V329-A595 HydrophobicContact CG2-CB 3.66Å
330A92.2Very high87Confident2 Ų234.7 Ų34.72%0.01718%0.184CC..EExtended strand (participates in β ladder)trans-121.7146.7175.800000110.6F339 A340 I371 F373A330-F339 WeakPolarHBondContact O-CA 3.32Å; A330-A340 PolarHBondContact N-O 2.69Å; A330-A340 PolarHBondContact O-N 3.13Å; A330-I371 HydrophobicContact CB-CD1 3.92Å; A330-I371 HydrophobicContact CB-CG1 4.04Å; A330-F373 HydrophobicContact CB-CD2 3.64Å; A330-F373 HydrophobicContact CB-CE2 3.93Å; A330-F373 WeakPolarHBondContact O-CE2 3.47Å
331L88.8Confident87.2Confident25 Ų2534.1 Ų34.113%0.13118%0.18CC..  trans-117.5139.7175.4-67.7172.5000109.2F339 F373 R584 I585 C586L331-F339 HydrophobicContact CD2-CB 3.58Å; L331-F373 WeakPolarHBondContact O-CD2 3.33Å; L331-R584 HydrophobicContact CD1-CB 3.71Å; L331-R584 HydrophobicContact CG-CB 4.07Å; L331-I585 WeakPolarHBondContact CD1-O 3.26Å; L331-C586 HydrophobicContact CD1-CB 3.88Å
332P85.4Confident87.4Confident12 Ų1234.1 Ų34.18%0.07818%0.18CC..  trans-65.3154.5172.2-4.917000110.8T335 L338 F373P332-T335 WeakPolarHBondContact CB-O 3.43Å; P332-T335 VanDerWaalsContact CG-O 3.27Å; P332-T335 WeakPolarHBondContact CG-O 3.49Å; P332-L338 WeakPolarHBondContact CD-O 3.26Å; P332-L338 HydrophobicContact CG-CB 4.01Å; P332-L338 WeakPolarHBondContact CG-O 3.45Å; P332-F373 HydrophobicContact CB-CD1 4.16Å; P332-F373 HydrophobicContact CB-CE1 4.37Å; P332-F373 HydrophobicContact CB-CG 4.25Å; P332-F373 HydrophobicContact CG-CD1 4.3Å; P332-F373 HydrophobicContact CG-CD2 4.4Å; P332-F373 HydrophobicContact CG-CE1 4.04Å; P332-F373 HydrophobicContact CG-CE2 4.16Å; P332-F373 HydrophobicContact CG-CG 4.47Å; P332-F373 HydrophobicContact CG-CZ 3.97Å
333H75.5Confident87.4Confident66 Ų6634 Ų3431%0.30618%0.18SC..SBendtrans-83.6-40.9-173.8-78.772.5000112.6H375 D377 K545H333-H375 AromaticContact CD2-CE1 2.92Å; H333-H375 PolarHBondContact CD2-CE1 2.83Å; H333-H375 AromaticContact CD2-ND1 3.6Å; H333-H375 AromaticContact CD2-NE2 3.47Å; H333-H375 PolarHBondContact CD2-NE2 3.11Å; H333-H375 AromaticContact CE1-CE1 3.85Å; H333-H375 AromaticContact CE1-NE2 3.62Å; H333-H375 AromaticContact CG-CE1 3.4Å; H333-H375 VanDerWaalsContact CG-CE1 3.4Å; H333-H375 AromaticContact CG-ND1 3.62Å; H333-H375 AromaticContact CG-NE2 3.91Å; H333-H375 AromaticContact ND1-CE1 3.96Å; H333-H375 AromaticContact NE2-CE1 3.27Å; H333-H375 PolarHBondContact NE2-CE1 3.07Å; H333-H375 VanDerWaalsContact NE2-CE1 3.27Å; H333-H375 AromaticContact NE2-NE2 3.28Å; H333-H375 PolarHBondContact NE2-NE2 2.84Å; H333-D377 PolarHBondContact N-OD1 2.88Å; H333-K545 PolarHBondContact O-NZ 3.45Å
334A64Low87.5Confident67 Ų6730.8 Ų30.855%0.55417%0.173SC*.SBendtrans-96.7-21.9179.500000114.6D377A334-D377 WeakPolarHBondContact CB-OD2 3.47Å; A334-D377 PolarHBondContact N-OD1 2.87Å; A334-D377 VanDerWaalsContact N-OD1 3.15Å
335T66.7Low87.6Confident67 Ų6732.4 Ų32.441%0.41118%0.176SC..  trans-118.3133.8-179.255.20000112.3P332P332-T335 WeakPolarHBondContact CB-O 3.43Å; P332-T335 VanDerWaalsContact CG-O 3.27Å; P332-T335 WeakPolarHBondContact CG-O 3.49Å
336S65.7Low87.6Confident20 Ų2032.5 Ų32.514%0.1418%0.175CC..SBendtrans-99.7-2.1-17652.10000113C586 N589S336-C586 WeakPolarHBondContact CB-SG 3.42Å; S336-N589 WeakPolarHBondContact CB-ND2 3.16Å; S336-N589 VanDerWaalsContact CB-OD1 3.27Å; S336-N589 WeakPolarHBondContact CB-OD1 3.37Å; S336-N589 PolarHBondContact O-ND2 2.91Å; S336-N589 PolarHBondContact OG-ND2 2.77Å; S336-N589 PolarHBondContact OG-OD1 2.84Å
337K80.3Confident87.6Confident158 Ų15832.5 Ų32.569%0.68718%0.175SC*.SBendtrans-86.8-12.2-174.1-64.5-173.5-179-179.90114M351 V352K337-M351 WeakPolarHBondContact O-CA 3.49Å; K337-V352 PolarHBondContact O-N 3.34Å
338L88.3Confident87.6Confident23 Ų2327.7 Ų27.712%0.1215%0.154CC..EExtended strand (participates in β ladder)trans-123.4154.7-176.9-61.4173.2000110.6P332 V349 W350 M351 K358P332-L338 WeakPolarHBondContact CD-O 3.26Å; P332-L338 HydrophobicContact CG-CB 4.01Å; P332-L338 WeakPolarHBondContact CG-O 3.45Å; L338-V349 HydrophobicContact CB-CG1 4.37Å; L338-V349 HydrophobicContact CD2-CG1 4.38Å; L338-W350 VanDerWaalsContact CA-O 3.22Å; L338-W350 WeakPolarHBondContact CA-O 3.42Å; L338-W350 WeakPolarHBondContact CD2-O 3.41Å; L338-M351 HydrophobicContact CD2-CG 3.69Å; L338-K358 HydrophobicContact CD2-CD 3.92Å
339F91.3Very high87.5Confident0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-145.8152.7164.466.7-83.5000109.2I15 V329 A330 L331 T341 V349 W350 V352 V593 I601 L603I15-F339 HydrophobicContact CD1-CZ 3.95Å; V329-F339 HydrophobicContact CG1-CD2 4.3Å; A330-F339 WeakPolarHBondContact O-CA 3.32Å; L331-F339 HydrophobicContact CD2-CB 3.58Å; F339-T341 HydrophobicContact CD2-CG2 3.71Å; F339-T341 HydrophobicContact CE2-CG2 3.65Å; F339-V349 CarbonylContact O-C 3.43Å; F339-V349 WeakPolarHBondContact O-CA 3.29Å; F339-W350 HydrophobicContact CD1-CB 3.78Å; F339-W350 HydrophobicContact CD2-CB 4.19Å; F339-W350 AromaticContact CD2-CD1 3.74Å; F339-W350 HydrophobicContact CD2-CG 4.28Å; F339-W350 HydrophobicContact CE1-CB 3.34Å; F339-W350 HydrophobicContact CE1-CG 4.13Å; F339-W350 HydrophobicContact CE2-CB 3.74Å; F339-W350 AromaticContact CE2-CD1 3.28Å; F339-W350 AromaticContact CE2-CG 3.64Å; F339-W350 HydrophobicContact CE2-CG 3.64Å; F339-W350 HydrophobicContact CG-CB 4.22Å; F339-W350 HydrophobicContact CZ-CB 3.31Å; F339-W350 AromaticContact CZ-CD1 3.74Å; F339-W350 HydrophobicContact CZ-CD2 4.49Å; F339-W350 AromaticContact CZ-CG 3.58Å; F339-W350 HydrophobicContact CZ-CG 3.58Å; F339-W350 PolarHBondContact N-O 3.47Å; F339-W350 PolarHBondContact O-N 3.31Å; F339-V352 HydrophobicContact CD1-CG2 3.69Å; F339-V352 HydrophobicContact CE1-CG2 4.22Å; F339-V593 HydrophobicContact CD2-CG1 4.32Å; F339-V593 HydrophobicContact CE2-CG1 4.26Å; F339-I601 HydrophobicContact CE2-CD1 4.39Å; F339-I601 HydrophobicContact CE2-CG2 3.84Å; F339-I601 HydrophobicContact CZ-CG2 4.1Å; F339-L603 HydrophobicContact CE1-CD1 4.25Å; F339-L603 HydrophobicContact CE1-CD2 4.01Å; F339-L603 HydrophobicContact CZ-CD1 4.49Å; F339-L603 HydrophobicContact CZ-CD2 4.04Å
340A93.6Very high87.4Confident0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-111.5148.417500000109.6V329 A330 R348 V349 I371 F373 I380V329-A340 CarbonylContact C-O 3.53Å; V329-A340 WeakPolarHBondContact CA-O 3.35Å; A330-A340 PolarHBondContact N-O 2.69Å; A330-A340 PolarHBondContact O-N 3.13Å; A340-R348 CarbonylContact C-O 3.53Å; A340-R348 VanDerWaalsContact CA-O 3.28Å; A340-R348 WeakPolarHBondContact CA-O 3.39Å; A340-V349 HydrophobicContact CB-CG2 4.31Å; A340-I371 HydrophobicContact CB-CD1 3.78Å; A340-I371 VanDerWaalsContact O-CD1 3.28Å; A340-I371 WeakPolarHBondContact O-CD1 3.36Å; A340-F373 HydrophobicContact CB-CE2 3.5Å; A340-F373 VanDerWaalsContact CB-CE2 3.5Å; A340-F373 HydrophobicContact CB-CZ 3.61Å; A340-I380 HydrophobicContact CB-CD1 4.34Å
341T95.8Very high87.3Confident0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-135.1143.4176.657.70000109H322 D328 V329 F339 V347 R348 W350 I601H322-T341 PolarHBondContact NE2-OG1 3.06Å; D328-T341 WeakPolarHBondContact O-CA 3.37Å; V329-T341 HydrophobicContact CG1-CG2 4.43Å; V329-T341 HydrophobicContact CG2-CG2 4.14Å; F339-T341 HydrophobicContact CD2-CG2 3.71Å; F339-T341 HydrophobicContact CE2-CG2 3.65Å; T341-V347 WeakPolarHBondContact O-CA 3.33Å; T341-R348 PolarHBondContact N-O 3.04Å; T341-R348 PolarHBondContact O-N 3.12Å; T341-R348 PolarHBondContact OG1-O 2.94Å; T341-W350 PolarHBondContact OG1-NE1 2.63Å; T341-I601 HydrophobicContact CG2-CD1 3.77Å; T341-I601 HydrophobicContact CG2-CG1 4.33Å
342C95.7Very high86.9Confident0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-116.8137.4171.869.20000111.6V326 K327 D328 E346 V347 C368 I371V326-C342 CarbonylContact C-O 3.5Å; V326-C342 WeakPolarHBondContact CA-O 3.4Å; V326-C342 WeakPolarHBondContact CG1-O 3.34Å; K327-C342 PolarHBondContact N-O 2.62Å; D328-C342 PolarHBondContact N-SG 3.26Å; D328-C342 VanDerWaalsContact N-SG 3.39Å; D328-C342 PolarHBondContact O-N 3.25Å; C342-E346 WeakPolarHBondContact CA-O 3.32Å; C342-V347 HydrophobicContact CB-CG2 4.12Å; C342-C368 HydrophobicContact CB-CB 3.82Å; C342-C368 WeakPolarHBondContact CB-SG 3.02Å; C342-I371 HydrophobicContact CB-CB 4.5Å; C342-I371 HydrophobicContact CB-CD1 4.24Å; C342-I371 HydrophobicContact CB-CG1 4.16Å; C342-I371 HydrophobicContact CB-CG2 3.57Å
343S94.8Very high86.4Confident1 Ų131.9 Ų31.91%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-153.6132177.9-175.60000109H322 S324 S325 E345 E346H322-S343 VanDerWaalsContact ND1-CB 3.26Å; H322-S343 WeakPolarHBondContact ND1-CB 3.47Å; S324-S343 PolarHBondContact O-OG 2.83Å; S324-S343 PolarHBondContact OG-OG 2.81Å; S325-S343 VanDerWaalsContact C-OG 3.32Å; S325-S343 PolarHBondContact O-OG 2.82Å; S343-E345 PolarHBondContact O-N 2.93Å; S343-E345 VanDerWaalsContact O-N 3.12Å; S343-E346 PolarHBondContact N-O 2.86Å; S343-E346 PolarHBondContact O-N 3.13Å; S343-E346 VanDerWaalsContact O-O 3.1Å
344G93.4Very high86.5Confident18 Ų1836.8 Ų36.819%0.18621%0.212CC..THydrogen-bonded Turntrans46.9-123.9178.100000110.9S324 E346 S367 C368S324-G344 WeakPolarHBondContact OG-CA 3.38Å; S324-G344 PolarHBondContact OG-N 3.1Å; G344-E346 VanDerWaalsContact C-N 3.26Å; G344-E346 PolarHBondContact O-N 3.4Å; G344-S367 CarbonylContact O-C 3.57Å; G344-S367 WeakPolarHBondContact O-CA 3.41Å; G344-C368 PolarHBondContact O-N 2.52Å
345E93.7Very high86.9Confident82 Ų8236.3 Ų36.338%0.38320%0.203SC..THydrogen-bonded Turntrans-84.36.3-175.7-54-169.5178.800114.7S343 T362 V363 P364 N365 V366S343-E345 PolarHBondContact O-N 2.93Å; S343-E345 VanDerWaalsContact O-N 3.12Å; E345-T362 HydrophobicContact CB-CG2 4.49Å; E345-T362 WeakPolarHBondContact O-CA 3.5Å; E345-V363 PolarHBondContact O-N 3.26Å; E345-P364 WeakPolarHBondContact OE2-CA 3.28Å; E345-N365 WeakPolarHBondContact OE1-CA 3.34Å; E345-N365 PolarHBondContact OE1-N 3.02Å; E345-N365 PolarHBondContact OE2-N 3.25Å; E345-V366 VanDerWaalsContact CA-O 3.29Å; E345-V366 WeakPolarHBondContact CA-O 3.2Å
346E94.4Very high87.8Confident18 Ų1840 Ų408%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-128.9143.6-165.6-55.6-169.3144.600113.8C342 S343 G344 R348 I361 T362C342-E346 WeakPolarHBondContact CA-O 3.32Å; S343-E346 PolarHBondContact N-O 2.86Å; S343-E346 PolarHBondContact O-N 3.13Å; S343-E346 VanDerWaalsContact O-O 3.1Å; G344-E346 VanDerWaalsContact C-N 3.26Å; G344-E346 PolarHBondContact O-N 3.4Å; E346-R348 IonicContact OE1-NH2 3.2Å; E346-R348 IonicContact OE2-CZ 3.3Å; E346-R348 IonicContact OE2-NE 2.96Å; E346-R348 PolarHBondContact OE2-NE 2.89Å; E346-R348 IonicContact OE2-NH2 3.57Å; E346-R348 PolarHBondContact OE2-NH2 3.24Å; E346-I361 CarbonylContact C-O 3.58Å; E346-I361 WeakPolarHBondContact CA-O 3.38Å; E346-T362 HydrophobicContact CG-CG2 4.26Å
347V95.7Very high89Confident0 Ų040.8 Ų40.80%022%0.215CC..EExtended strand (participates in β ladder)trans-117.6123.6162.2-179.70000107.6T341 C342 I361 C368 I371 W384T341-V347 WeakPolarHBondContact O-CA 3.33Å; C342-V347 HydrophobicContact CB-CG2 4.12Å; V347-I361 HydrophobicContact CB-CB 4.33Å; V347-I361 PolarHBondContact N-O 3.23Å; V347-I361 PolarHBondContact O-N 3.02Å; V347-C368 HydrophobicContact CG2-CB 4.21Å; V347-I371 HydrophobicContact CG1-CG2 4.26Å; V347-I371 HydrophobicContact CG2-CG2 4.07Å; V347-W384 HydrophobicContact CG2-CH2 4.11Å; V347-W384 HydrophobicContact CG2-CZ2 3.91Å
348R94.8Very high89.5Confident0 Ų039.1 Ų39.10%021%0.208CC..EExtended strand (participates in β ladder)trans-118.1139.1-179.7-66-173.3-174.1-171.616.1110.9G321 A340 T341 E346 W350 E357 L359 R360G321-R348 PolarHBondContact O-NH1 3.34Å; G321-R348 PolarHBondContact O-NH2 3.12Å; A340-R348 CarbonylContact C-O 3.53Å; A340-R348 VanDerWaalsContact CA-O 3.28Å; A340-R348 WeakPolarHBondContact CA-O 3.39Å; T341-R348 PolarHBondContact N-O 3.04Å; T341-R348 PolarHBondContact O-N 3.12Å; T341-R348 PolarHBondContact OG1-O 2.94Å; E346-R348 IonicContact OE1-NH2 3.2Å; E346-R348 IonicContact OE2-CZ 3.3Å; E346-R348 IonicContact OE2-NE 2.96Å; E346-R348 PolarHBondContact OE2-NE 2.89Å; E346-R348 IonicContact OE2-NH2 3.57Å; E346-R348 PolarHBondContact OE2-NH2 3.24Å; R348-W350 HydrophobicContact CB-CZ2 3.8Å; R348-W350 HydrophobicContact CG-CZ2 4.31Å; R348-E357 IonicContact CZ-OE2 3.48Å; R348-E357 IonicContact NE-OE2 2.96Å; R348-E357 IonicContact NH1-OE2 3.69Å; R348-E357 PolarHBondContact NH1-OE2 3.22Å; R348-E357 VanDerWaalsContact NH1-OE2 3.11Å; R348-L359 WeakPolarHBondContact CA-O 3.41Å; R348-R360 HydrophobicContact CG-CG 4.19Å
349V93.4Very high89.7Confident3 Ų339.3 Ų39.32%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-111.6128.1174.4-172.30000109.1L338 F339 A340 K358 L359 I380L338-V349 HydrophobicContact CB-CG1 4.37Å; L338-V349 HydrophobicContact CD2-CG1 4.38Å; F339-V349 CarbonylContact O-C 3.43Å; F339-V349 WeakPolarHBondContact O-CA 3.29Å; A340-V349 HydrophobicContact CB-CG2 4.31Å; V349-K358 PolarHBondContact O-N 3.42Å; V349-L359 HydrophobicContact CB-CB 4.08Å; V349-L359 HydrophobicContact CG2-CB 4.15Å; V349-L359 HydrophobicContact CG2-CD2 4.15Å; V349-L359 PolarHBondContact N-O 2.72Å; V349-L359 PolarHBondContact O-N 2.79Å; V349-I380 HydrophobicContact CG2-CD1 3.43Å; V349-I380 VanDerWaalsContact CG2-CD1 3.43Å
350W91.9Very high89.8Confident1 Ų141.9 Ų41.90%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-118.8152.7-172.1-53.693.7000110.9I15 T320 H322 L338 F339 T341 R348 E357 I601I15-W350 HydrophobicContact CD1-CD2 4.07Å; I15-W350 HydrophobicContact CD1-CE3 3.81Å; I15-W350 HydrophobicContact CD1-CG 4.45Å; I15-W350 HydrophobicContact CD1-CZ3 4.3Å; I15-W350 HydrophobicContact CG2-CE3 4.16Å; I15-W350 HydrophobicContact CG2-CH2 3.67Å; I15-W350 HydrophobicContact CG2-CZ2 4.29Å; I15-W350 HydrophobicContact CG2-CZ3 3.6Å; T320-W350 WeakPolarHBondContact OG1-CH2 3.39Å; T320-W350 WeakPolarHBondContact OG1-CZ3 3.44Å; H322-W350 AromaticContact NE2-CZ2 3.98Å; L338-W350 VanDerWaalsContact CA-O 3.22Å; L338-W350 WeakPolarHBondContact CA-O 3.42Å; L338-W350 WeakPolarHBondContact CD2-O 3.41Å; F339-W350 HydrophobicContact CD1-CB 3.78Å; F339-W350 HydrophobicContact CD2-CB 4.19Å; F339-W350 AromaticContact CD2-CD1 3.74Å; F339-W350 HydrophobicContact CD2-CG 4.28Å; F339-W350 HydrophobicContact CE1-CB 3.34Å; F339-W350 HydrophobicContact CE1-CG 4.13Å; F339-W350 HydrophobicContact CE2-CB 3.74Å; F339-W350 AromaticContact CE2-CD1 3.28Å; F339-W350 AromaticContact CE2-CG 3.64Å; F339-W350 HydrophobicContact CE2-CG 3.64Å; F339-W350 HydrophobicContact CG-CB 4.22Å; F339-W350 HydrophobicContact CZ-CB 3.31Å; F339-W350 AromaticContact CZ-CD1 3.74Å; F339-W350 HydrophobicContact CZ-CD2 4.49Å; F339-W350 AromaticContact CZ-CG 3.58Å; F339-W350 HydrophobicContact CZ-CG 3.58Å; F339-W350 PolarHBondContact N-O 3.47Å; F339-W350 PolarHBondContact O-N 3.31Å; T341-W350 PolarHBondContact OG1-NE1 2.63Å; R348-W350 HydrophobicContact CB-CZ2 3.8Å; R348-W350 HydrophobicContact CG-CZ2 4.31Å; W350-E357 HydrophobicContact CE3-CB 4Å; W350-E357 HydrophobicContact CE3-CG 4.45Å; W350-E357 HydrophobicContact CH2-CB 4.43Å; W350-E357 HydrophobicContact CH2-CG 4.47Å; W350-E357 HydrophobicContact CZ3-CB 3.75Å; W350-E357 HydrophobicContact CZ3-CG 4.22Å; W350-I601 HydrophobicContact CZ2-CD1 3.95Å
351M89Confident89.8Confident69 Ų6942.5 Ų42.534%0.3422%0.221SC..EExtended strand (participates in β ladder)trans-93.5138.2166.6-68.3-176.5-63.700110.3K337 L338 K354 P355 K356K337-M351 WeakPolarHBondContact O-CA 3.49Å; L338-M351 HydrophobicContact CD2-CG 3.69Å; M351-K354 WeakPolarHBondContact CB-O 3.41Å; M351-K354 CarbonylContact O-C 3.42Å; M351-K354 VanDerWaalsContact O-O 3.12Å; M351-P355 WeakPolarHBondContact O-CA 3.44Å; M351-K356 HydrophobicContact CE-CB 3.82Å; M351-K356 HydrophobicContact CE-CD 4.42Å; M351-K356 HydrophobicContact CE-CG 4.35Å; M351-K356 PolarHBondContact N-O 2.87Å; M351-K356 VanDerWaalsContact N-O 3.16Å
352V81.4Confident89.7Confident4 Ų445.8 Ų45.82%0.02424%0.242CC..SBendtrans-77.8-45.2-174.4-164.90000112.8K337 F339 I591 L603K337-V352 PolarHBondContact O-N 3.34Å; F339-V352 HydrophobicContact CD1-CG2 3.69Å; F339-V352 HydrophobicContact CE1-CG2 4.22Å; V352-I591 HydrophobicContact CB-CD1 4.08Å; V352-I591 HydrophobicContact CG1-CB 4.11Å; V352-I591 HydrophobicContact CG1-CD1 3.2Å; V352-I591 HydrophobicContact CG1-CG1 3.83Å; V352-I591 HydrophobicContact CG1-CG2 3.7Å; V352-L603 HydrophobicContact CG1-CD1 4.15Å; V352-L603 HydrophobicContact CG1-CD2 4.48Å
353G75.3Confident89.6Confident73 Ų7346.9 Ų46.975%0.75325%0.248SC*.SBendtrans-76.4-27.1-172.600000115.4
354K76.4Confident89.5Confident169 Ų16951 Ų5174%0.73527%0.274SS*.SBendtrans-128.1106.8163.5-72.8-172.7179.7-174.50104.9M351 K356M351-K354 WeakPolarHBondContact CB-O 3.41Å; M351-K354 CarbonylContact O-C 3.42Å; M351-K354 VanDerWaalsContact O-O 3.12Å; K354-K356 PolarHBondContact O-N 2.82Å
355P72.9Confident89.4Confident57 Ų5757 Ų5737%0.3730%0.302SS..  trans-66.975.9-174.928.1-35.8000110.4A13 I15 M351 L603A13-P355 HydrophobicContact CB-CG 4.03Å; I15-P355 HydrophobicContact CD1-CB 3.47Å; I15-P355 VanDerWaalsContact CD1-CB 3.47Å; I15-P355 HydrophobicContact CG1-CB 3.61Å; M351-P355 WeakPolarHBondContact O-CA 3.44Å; P355-L603 HydrophobicContact CB-CD1 4.49Å
356K85.4Confident89.5Confident144 Ų14454.1 Ų54.163%0.62629%0.29SS*.  trans-119.5133.9179.5-176.1176-178.6174.70107.4M351 K354 K358M351-K356 HydrophobicContact CE-CB 3.82Å; M351-K356 HydrophobicContact CE-CD 4.42Å; M351-K356 HydrophobicContact CE-CG 4.35Å; M351-K356 PolarHBondContact N-O 2.87Å; M351-K356 VanDerWaalsContact N-O 3.16Å; K354-K356 PolarHBondContact O-N 2.82Å; K356-K358 PolarHBondContact O-N 3.42Å
357E91.5Very high89.5Confident37 Ų3755.5 Ų55.517%0.17330%0.302CS..EExtended strand (participates in β ladder)trans-63.9127.8173.4-165.3179.114200109.8T320 R348 W350 R360T320-E357 VanDerWaalsContact CB-OE2 3.25Å; T320-E357 WeakPolarHBondContact CB-OE2 3.43Å; T320-E357 PolarHBondContact OG1-OE2 2.66Å; R348-E357 IonicContact CZ-OE2 3.48Å; R348-E357 IonicContact NE-OE2 2.96Å; R348-E357 IonicContact NH1-OE2 3.69Å; R348-E357 PolarHBondContact NH1-OE2 3.22Å; R348-E357 VanDerWaalsContact NH1-OE2 3.11Å; W350-E357 HydrophobicContact CE3-CB 4Å; W350-E357 HydrophobicContact CE3-CG 4.45Å; W350-E357 HydrophobicContact CH2-CB 4.43Å; W350-E357 HydrophobicContact CH2-CG 4.47Å; W350-E357 HydrophobicContact CZ3-CB 3.75Å; W350-E357 HydrophobicContact CZ3-CG 4.22Å; E357-R360 VanDerWaalsContact OE1-CB 3.3Å; E357-R360 WeakPolarHBondContact OE1-CB 3.46Å; E357-R360 IonicContact OE1-CZ 2.82Å; E357-R360 IonicContact OE1-NE 2.72Å; E357-R360 PolarHBondContact OE1-NE 3.05Å; E357-R360 IonicContact OE1-NH2 3.66Å; E357-R360 PolarHBondContact OE1-NH2 3.03Å; E357-R360 IonicContact OE2-CZ 3.28Å; E357-R360 IonicContact OE2-NE 3.16Å; E357-R360 IonicContact OE2-NH2 3.06Å; E357-R360 PolarHBondContact OE2-NH2 2.82Å
358K90.9Very high89.5Confident123 Ų12355.5 Ų55.554%0.53530%0.302SS..EExtended strand (participates in β ladder)trans-101.1-38.7177.8-177179.6176.6-174.90111.8L338 V349 K356L338-K358 HydrophobicContact CD2-CD 3.92Å; V349-K358 PolarHBondContact O-N 3.42Å; K356-K358 PolarHBondContact O-N 3.42Å
359L91.4Very high89.5Confident26 Ų2657.6 Ų57.614%0.13631%0.313CS..EExtended strand (participates in β ladder)trans-146.4134.4-176.3175.665.8000109.8R348 V349 I361R348-L359 WeakPolarHBondContact CA-O 3.41Å; V349-L359 HydrophobicContact CB-CB 4.08Å; V349-L359 HydrophobicContact CG2-CB 4.15Å; V349-L359 HydrophobicContact CG2-CD2 4.15Å; V349-L359 PolarHBondContact N-O 2.72Å; V349-L359 PolarHBondContact O-N 2.79Å; L359-I361 HydrophobicContact CD1-CG1 4.41Å; L359-I361 HydrophobicContact CD2-CD1 3.89Å; L359-I361 HydrophobicContact CD2-CG1 4.1Å; L359-I361 HydrophobicContact CG-CD1 4.38Å; L359-I361 HydrophobicContact CG-CG1 4.09Å
360R93.8Very high89.6Confident55 Ų5557.8 Ų57.821%0.20832%0.315CS..EExtended strand (participates in β ladder)trans-113.3132.8166-162.3172.7-65.81763.8109.3E281 Q304 R348 E357E281-R360 IonicContact OE1-NH1 2.79Å; E281-R360 PolarHBondContact OE1-NH1 2.83Å; E281-R360 IonicContact OE2-CZ 3.71Å; E281-R360 IonicContact OE2-NH1 2.69Å; E281-R360 PolarHBondContact OE2-NH1 3.17Å; Q304-R360 VanDerWaalsContact NE2-NH1 3.12Å; Q304-R360 VanDerWaalsContact NE2-NH2 3.12Å; R348-R360 HydrophobicContact CG-CG 4.19Å; E357-R360 VanDerWaalsContact OE1-CB 3.3Å; E357-R360 WeakPolarHBondContact OE1-CB 3.46Å; E357-R360 IonicContact OE1-CZ 2.82Å; E357-R360 IonicContact OE1-NE 2.72Å; E357-R360 PolarHBondContact OE1-NE 3.05Å; E357-R360 IonicContact OE1-NH2 3.66Å; E357-R360 PolarHBondContact OE1-NH2 3.03Å; E357-R360 IonicContact OE2-CZ 3.28Å; E357-R360 IonicContact OE2-NE 3.16Å; E357-R360 IonicContact OE2-NH2 3.06Å; E357-R360 PolarHBondContact OE2-NH2 2.82Å
361I94.6Very high89.8Confident12 Ų1257.9 Ų57.96%0.06232%0.316CS..EExtended strand (participates in β ladder)trans-122.2116.8169.9-61.7159.9000106.2E346 V347 L359 F392E346-I361 CarbonylContact C-O 3.58Å; E346-I361 WeakPolarHBondContact CA-O 3.38Å; V347-I361 HydrophobicContact CB-CB 4.33Å; V347-I361 PolarHBondContact N-O 3.23Å; V347-I361 PolarHBondContact O-N 3.02Å; L359-I361 HydrophobicContact CD1-CG1 4.41Å; L359-I361 HydrophobicContact CD2-CD1 3.89Å; L359-I361 HydrophobicContact CD2-CG1 4.1Å; L359-I361 HydrophobicContact CG-CD1 4.38Å; L359-I361 HydrophobicContact CG-CG1 4.09Å; I361-F392 HydrophobicContact CD1-CB 3.72Å; I361-F392 HydrophobicContact CD1-CD1 4.1Å; I361-F392 HydrophobicContact CD1-CD2 4.03Å; I361-F392 HydrophobicContact CD1-CG 3.7Å; I361-F392 HydrophobicContact CG1-CD1 4.49Å; I361-F392 HydrophobicContact CG2-CD1 3.95Å; I361-F392 HydrophobicContact CG2-CD2 4.25Å; I361-F392 HydrophobicContact CG2-CE1 3.52Å; I361-F392 HydrophobicContact CG2-CE2 3.83Å; I361-F392 HydrophobicContact CG2-CG 4.3Å; I361-F392 HydrophobicContact CG2-CZ 3.45Å; I361-F392 VanDerWaalsContact CG2-CZ 3.45Å
362T93.6Very high90Very high70 Ų7055.8 Ų55.843%0.42931%0.306SS..EExtended strand (participates in β ladder)trans-114.5129.5179.6-53.20000109.1E345 E346E345-T362 HydrophobicContact CB-CG2 4.49Å; E345-T362 WeakPolarHBondContact O-CA 3.5Å; E346-T362 HydrophobicContact CG-CG2 4.26Å
363V93.6Very high90.5Very high23 Ų2355.7 Ų55.714%0.13931%0.305CS..  trans-121106173-170.30000107.5E345 V366 W384 F392E345-V363 PolarHBondContact O-N 3.26Å; V363-V366 HydrophobicContact CB-CG2 3.67Å; V363-V366 HydrophobicContact CG1-CG2 3.34Å; V363-V366 VanDerWaalsContact O-CG2 3.25Å; V363-V366 WeakPolarHBondContact O-CG2 3.45Å; V363-W384 HydrophobicContact CB-CE3 4.23Å; V363-W384 HydrophobicContact CB-CH2 3.69Å; V363-W384 HydrophobicContact CB-CZ2 4.2Å; V363-W384 HydrophobicContact CB-CZ3 3.7Å; V363-W384 HydrophobicContact CG2-CH2 3.45Å; V363-W384 VanDerWaalsContact CG2-CH2 3.45Å; V363-W384 HydrophobicContact CG2-CZ2 3.55Å; V363-W384 HydrophobicContact CG2-CZ3 4Å; V363-F392 HydrophobicContact CG2-CZ 4.28Å
364P92.3Very high91.1Very high86 Ų8652.2 Ų52.256%0.55827%0.269SS*.THydrogen-bonded Turntrans-60.7144-170.8-26.434.3000114.2E345 V366E345-P364 WeakPolarHBondContact OE2-CA 3.28Å; P364-V366 PolarHBondContact O-N 2.9Å
365N91.2Very high91.4Very high144 Ų14446.4 Ų46.477%0.7725%0.245SC*.THydrogen-bonded Turntrans62.216.5173.7-49.5-68000115.9E345E345-N365 WeakPolarHBondContact OE1-CA 3.34Å; E345-N365 PolarHBondContact OE1-N 3.02Å; E345-N365 PolarHBondContact OE2-N 3.25Å
366V94.9Very high91.6Very high22 Ų2246.4 Ų46.413%0.13324%0.241CC..  trans-135.1139178.8-66.80000110.6E345 V363 P364 W384 D386E345-V366 VanDerWaalsContact CA-O 3.29Å; E345-V366 WeakPolarHBondContact CA-O 3.2Å; V363-V366 HydrophobicContact CB-CG2 3.67Å; V363-V366 HydrophobicContact CG1-CG2 3.34Å; V363-V366 VanDerWaalsContact O-CG2 3.25Å; V363-V366 WeakPolarHBondContact O-CG2 3.45Å; P364-V366 PolarHBondContact O-N 2.9Å; V366-W384 HydrophobicContact CB-CE3 4.23Å; V366-W384 HydrophobicContact CG2-CD2 4.4Å; V366-W384 HydrophobicContact CG2-CE3 3.61Å; V366-W384 HydrophobicContact CG2-CZ3 4.02Å; V366-D386 HydrophobicContact CG1-CB 3.77Å
367S94.8Very high90.8Very high47 Ų4741.9 Ų41.933%0.32922%0.224SC..  trans-96.8133.7-178.367.40000112G344 W384 S385G344-S367 CarbonylContact O-C 3.57Å; G344-S367 WeakPolarHBondContact O-CA 3.41Å; S367-W384 CarbonylContact O-C 3.6Å; S367-W384 WeakPolarHBondContact O-CA 3.4Å; S367-S385 PolarHBondContact N-OG 3.34Å; S367-S385 PolarHBondContact O-N 3.42Å; S367-S385 WeakPolarHBondContact OG-CB 3.35Å; S367-S385 PolarHBondContact OG-OG 2.93Å
368C96.4Very high90.1Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-85.2123.7173.3-170.20000110.6C342 G344 V347 A383 W384C342-C368 HydrophobicContact CB-CB 3.82Å; C342-C368 WeakPolarHBondContact CB-SG 3.02Å; G344-C368 PolarHBondContact O-N 2.52Å; V347-C368 HydrophobicContact CG2-CB 4.21Å; C368-A383 CarbonylContact C-O 3.58Å; C368-A383 WeakPolarHBondContact CA-O 3.34Å; C368-A383 PolarHBondContact SG-O 2.91Å; C368-A383 VanDerWaalsContact SG-O 3.33Å; C368-W384 HydrophobicContact CB-CD2 4.06Å; C368-W384 HydrophobicContact CB-CE3 3.74Å; C368-W384 HydrophobicContact CB-CH2 3.91Å; C368-W384 HydrophobicContact CB-CZ2 4.2Å; C368-W384 HydrophobicContact CB-CZ3 3.67Å
369N95.3Very high89.9Confident45 Ų4538.2 Ų38.224%0.24122%0.217CC..EExtended strand (participates in β ladder)trans-99.9-36.1-173.5-64.1-36.6000113.1A383 V410N369-A383 PolarHBondContact N-O 3.33Å; N369-V410 WeakPolarHBondContact CB-O 3.49Å; N369-V410 PolarHBondContact ND2-O 2.84Å
370A95Very high90Very high6 Ų637 Ų375%0.0521%0.211CC..EExtended strand (participates in β ladder)trans-148.4150.9-178.600000110.9A383 I413A370-A383 HydrophobicContact CB-CB 4.14Å; A370-A383 PolarHBondContact O-N 3.43Å; A370-I413 HydrophobicContact CB-CG2 4.09Å
371I95.6Very high90.1Very high3 Ų334.3 Ų34.32%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-140.4151179.350160.9000110.6D328 A330 A340 C342 V347 I381D328-I371 HydrophobicContact CB-CG1 4.07Å; D328-I371 PolarHBondContact OD2-N 2.66Å; A330-I371 HydrophobicContact CB-CD1 3.92Å; A330-I371 HydrophobicContact CB-CG1 4.04Å; A340-I371 HydrophobicContact CB-CD1 3.78Å; A340-I371 VanDerWaalsContact O-CD1 3.28Å; A340-I371 WeakPolarHBondContact O-CD1 3.36Å; C342-I371 HydrophobicContact CB-CB 4.5Å; C342-I371 HydrophobicContact CB-CD1 4.24Å; C342-I371 HydrophobicContact CB-CG1 4.16Å; C342-I371 HydrophobicContact CB-CG2 3.57Å; V347-I371 HydrophobicContact CG1-CG2 4.26Å; V347-I371 HydrophobicContact CG2-CG2 4.07Å; I371-I381 WeakPolarHBondContact CA-O 3.49Å
372D93.6Very high90.1Very high26 Ų2633.8 Ų33.814%0.13920%0.198CC..EExtended strand (participates in β ladder)trans-149.3155.7172.3-163.216.3000111I381 I413 A414 A415D372-I381 HydrophobicContact CB-CD1 3.92Å; D372-I381 HydrophobicContact CB-CG1 3.84Å; D372-I381 PolarHBondContact N-O 2.89Å; D372-I381 VanDerWaalsContact O-CG1 3.23Å; D372-I381 WeakPolarHBondContact O-CG1 3.44Å; D372-I381 PolarHBondContact O-N 3.35Å; D372-I413 HydrophobicContact CB-CG2 4.42Å; D372-A414 WeakPolarHBondContact OD2-CA 3.42Å; D372-A415 PolarHBondContact OD2-N 2.99Å
373F91.3Very high90.3Very high2 Ų230.4 Ų30.41%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-90.3132.8171.3-80.9-90.1000109.2A330 L331 P332 A340 I380 M394A330-F373 HydrophobicContact CB-CD2 3.64Å; A330-F373 HydrophobicContact CB-CE2 3.93Å; A330-F373 WeakPolarHBondContact O-CE2 3.47Å; L331-F373 WeakPolarHBondContact O-CD2 3.33Å; P332-F373 HydrophobicContact CB-CD1 4.16Å; P332-F373 HydrophobicContact CB-CE1 4.37Å; P332-F373 HydrophobicContact CB-CG 4.25Å; P332-F373 HydrophobicContact CG-CD1 4.3Å; P332-F373 HydrophobicContact CG-CD2 4.4Å; P332-F373 HydrophobicContact CG-CE1 4.04Å; P332-F373 HydrophobicContact CG-CE2 4.16Å; P332-F373 HydrophobicContact CG-CG 4.47Å; P332-F373 HydrophobicContact CG-CZ 3.97Å; A340-F373 HydrophobicContact CB-CE2 3.5Å; A340-F373 VanDerWaalsContact CB-CE2 3.5Å; A340-F373 HydrophobicContact CB-CZ 3.61Å; F373-I380 HydrophobicContact CD1-CG1 3.97Å; F373-I380 HydrophobicContact CE1-CD1 3.97Å; F373-I380 HydrophobicContact CE1-CG1 3.72Å; F373-I380 HydrophobicContact CZ-CD1 4.19Å; F373-I380 HydrophobicContact CZ-CG1 4.28Å; F373-M394 HydrophobicContact CD1-CE 3.68Å; F373-M394 HydrophobicContact CE1-CE 3.55Å; F373-M394 HydrophobicContact CE1-SD 4.06Å
374M88.8Confident90.4Very high0 Ų029.3 Ų29.30%017%0.171CC..  trans-72.3151.9167.3-65.9-172.666.500110D376 D377 S379 I381 R391 A415 G419 L436M374-D376 WeakPolarHBondContact CB-OD1 3.21Å; M374-D376 PolarHBondContact O-N 3.38Å; M374-D376 VanDerWaalsContact O-N 3.13Å; M374-D377 PolarHBondContact O-N 3.22Å; M374-D377 VanDerWaalsContact O-N 3.12Å; M374-S379 PolarHBondContact N-O 2.81Å; M374-I381 HydrophobicContact CG-CG1 4.34Å; M374-I381 HydrophobicContact CG-CG2 3.71Å; M374-I381 HydrophobicContact SD-CG2 3.67Å; M374-R391 VanDerWaalsContact SD-CD 3.56Å; M374-R391 HydrophobicContact SD-CG 3.98Å; M374-R391 PolarHBondContact SD-NE 3.2Å; M374-A415 HydrophobicContact CG-CB 4.1Å; M374-G419 WeakPolarHBondContact CE-O 3.18Å; M374-L436 HydrophobicContact CE-CD1 3.47Å; M374-L436 VanDerWaalsContact CE-CD1 3.47Å; M374-L436 HydrophobicContact SD-CD1 4.23Å
375H83.1Confident90.6Very high47 Ų4727.6 Ų27.622%0.21816%0.16CC..THydrogen-bonded Turntrans-71.4-0.5177.5-77.3-99.2000114.6H333 D377 T416 K417H333-H375 AromaticContact CD2-CE1 2.92Å; H333-H375 PolarHBondContact CD2-CE1 2.83Å; H333-H375 AromaticContact CD2-ND1 3.6Å; H333-H375 AromaticContact CD2-NE2 3.47Å; H333-H375 PolarHBondContact CD2-NE2 3.11Å; H333-H375 AromaticContact CE1-CE1 3.85Å; H333-H375 AromaticContact CE1-NE2 3.62Å; H333-H375 AromaticContact CG-CE1 3.4Å; H333-H375 VanDerWaalsContact CG-CE1 3.4Å; H333-H375 AromaticContact CG-ND1 3.62Å; H333-H375 AromaticContact CG-NE2 3.91Å; H333-H375 AromaticContact ND1-CE1 3.96Å; H333-H375 AromaticContact NE2-CE1 3.27Å; H333-H375 PolarHBondContact NE2-CE1 3.07Å; H333-H375 VanDerWaalsContact NE2-CE1 3.27Å; H333-H375 AromaticContact NE2-NE2 3.28Å; H333-H375 PolarHBondContact NE2-NE2 2.84Å; H375-D377 PolarHBondContact O-N 2.8Å; H375-T416 PolarHBondContact CD2-O 3.33Å; H375-K417 WeakPolarHBondContact CB-O 3.49Å; H375-K417 VanDerWaalsContact CD2-CA 3.43Å; H375-K417 WeakPolarHBondContact CD2-CA 3.25Å
376D77.1Confident90.8Very high56 Ų5623.1 Ų23.130%0.29914%0.137SC..THydrogen-bonded Turntrans-76.1-1.9167.368.47.5000112.8M374 C378 S379 R391M374-D376 WeakPolarHBondContact CB-OD1 3.21Å; M374-D376 PolarHBondContact O-N 3.38Å; M374-D376 VanDerWaalsContact O-N 3.13Å; D376-C378 WeakPolarHBondContact O-CB 3.44Å; D376-C378 PolarHBondContact O-N 3.18Å; D376-C378 PolarHBondContact O-SG 3.47Å; D376-C378 PolarHBondContact OD1-N 2.84Å; D376-C378 VanDerWaalsContact OD1-N 3.08Å; D376-S379 WeakPolarHBondContact OD1-CB 3.46Å; D376-S379 PolarHBondContact OD1-N 2.9Å; D376-S379 PolarHBondContact OD1-OG 3.03Å; D376-S379 WeakPolarHBondContact OD2-CB 3.27Å; D376-S379 PolarHBondContact OD2-OG 3.05Å; D376-R391 IonicContact OD2-CZ 2.65Å; D376-R391 IonicContact OD2-NH2 3.44Å; D376-R391 PolarHBondContact OD2-NH2 3.08Å
377D67.3Low90.7Very high50 Ų5022.1 Ų22.127%0.26713%0.13SC..SBendtrans507.2-176.3-68.4-56.8000115.2H333 A334 M374 H375H333-D377 PolarHBondContact N-OD1 2.88Å; A334-D377 WeakPolarHBondContact CB-OD2 3.47Å; A334-D377 PolarHBondContact N-OD1 2.87Å; A334-D377 VanDerWaalsContact N-OD1 3.15Å; M374-D377 PolarHBondContact O-N 3.22Å; M374-D377 VanDerWaalsContact O-N 3.12Å; H375-D377 PolarHBondContact O-N 2.8Å
378C76.8Confident90.8Very high80 Ų8020.8 Ų20.854%0.54112%0.12SC..SBendtrans-118.7-9.6-173.8-66.70000111.6D376 G393 M394D376-C378 WeakPolarHBondContact O-CB 3.44Å; D376-C378 PolarHBondContact O-N 3.18Å; D376-C378 PolarHBondContact O-SG 3.47Å; D376-C378 PolarHBondContact OD1-N 2.84Å; D376-C378 VanDerWaalsContact OD1-N 3.08Å; C378-G393 CarbonylContact O-C 3.57Å; C378-G393 WeakPolarHBondContact O-CA 3.14Å; C378-M394 VanDerWaalsContact C-CE 3.42Å; C378-M394 WeakPolarHBondContact O-CG 3.24Å; C378-M394 PolarHBondContact O-N 2.95Å
379S88.7Confident90.8Very high2 Ų220.9 Ų20.91%0.01412%0.12CC..EExtended strand (participates in β ladder)trans-125145.9-179.3-46.90000113.5M374 D376 R391 F392 M399M374-S379 PolarHBondContact N-O 2.81Å; D376-S379 WeakPolarHBondContact OD1-CB 3.46Å; D376-S379 PolarHBondContact OD1-N 2.9Å; D376-S379 PolarHBondContact OD1-OG 3.03Å; D376-S379 WeakPolarHBondContact OD2-CB 3.27Å; D376-S379 PolarHBondContact OD2-OG 3.05Å; S379-R391 PolarHBondContact OG-NE 2.68Å; S379-R391 PolarHBondContact OG-NH2 3.22Å; S379-R391 VanDerWaalsContact OG-NH2 3.13Å; S379-F392 CarbonylContact C-O 3.49Å; S379-F392 WeakPolarHBondContact CA-O 3.4Å; S379-M399 WeakPolarHBondContact OG-CE 3.16Å
380I92.9Very high90.8Very high0 Ų020.1 Ų20.10%011%0.114CC..EExtended strand (participates in β ladder)trans-114.3136169.6-57.4173.6000107.3A340 V349 F373 R391 F392 M394A340-I380 HydrophobicContact CB-CD1 4.34Å; V349-I380 HydrophobicContact CG2-CD1 3.43Å; V349-I380 VanDerWaalsContact CG2-CD1 3.43Å; F373-I380 HydrophobicContact CD1-CG1 3.97Å; F373-I380 HydrophobicContact CE1-CD1 3.97Å; F373-I380 HydrophobicContact CE1-CG1 3.72Å; F373-I380 HydrophobicContact CZ-CD1 4.19Å; F373-I380 HydrophobicContact CZ-CG1 4.28Å; I380-R391 CarbonylContact O-C 3.55Å; I380-R391 VanDerWaalsContact O-CA 3.32Å; I380-R391 WeakPolarHBondContact O-CA 3.34Å; I380-F392 PolarHBondContact N-O 3.02Å; I380-F392 PolarHBondContact O-N 3.13Å; I380-M394 HydrophobicContact CD1-CE 4.09Å; I380-M394 HydrophobicContact CD1-SD 4.1Å; I380-M394 HydrophobicContact CG1-CE 3.48Å; I380-M394 VanDerWaalsContact CG1-CE 3.48Å; I380-M394 HydrophobicContact CG1-SD 4.16Å
381I94.7Very high90.7Very high0 Ų022.1 Ų22.10%012%0.12CC..EExtended strand (participates in β ladder)trans-107.5139.9170.450.8165.3000109.2I371 D372 M374 R390 R391 I413 A415 I422I371-I381 WeakPolarHBondContact CA-O 3.49Å; D372-I381 HydrophobicContact CB-CD1 3.92Å; D372-I381 HydrophobicContact CB-CG1 3.84Å; D372-I381 PolarHBondContact N-O 2.89Å; D372-I381 VanDerWaalsContact O-CG1 3.23Å; D372-I381 WeakPolarHBondContact O-CG1 3.44Å; D372-I381 PolarHBondContact O-N 3.35Å; M374-I381 HydrophobicContact CG-CG1 4.34Å; M374-I381 HydrophobicContact CG-CG2 3.71Å; M374-I381 HydrophobicContact SD-CG2 3.67Å; I381-R390 WeakPolarHBondContact CA-O 3.38Å; I381-R391 HydrophobicContact CG2-CB 4.17Å; I381-R391 HydrophobicContact CG2-CG 4.14Å; I381-I413 HydrophobicContact CB-CD1 3.98Å; I381-I413 HydrophobicContact CD1-CD1 3.77Å; I381-I413 HydrophobicContact CD1-CG1 3.9Å; I381-I413 HydrophobicContact CD1-CG2 4.48Å; I381-I413 HydrophobicContact CG1-CD1 4.2Å; I381-A415 HydrophobicContact CD1-CB 3.8Å; I381-I422 HydrophobicContact CD1-CG1 4.47Å; I381-I422 HydrophobicContact CD1-CG2 4.43Å; I381-I422 HydrophobicContact CG2-CD1 3.68Å
382S96.4Very high90.6Very high0 Ų022.4 Ų22.40%012%0.121CC..EExtended strand (participates in β ladder)trans-137.9134.7-17454.60000110.5W384 I389 R390 F392S382-W384 PolarHBondContact OG-NE1 2.95Å; S382-I389 WeakPolarHBondContact O-CA 3.21Å; S382-R390 PolarHBondContact N-O 2.9Å; S382-R390 PolarHBondContact O-N 2.9Å; S382-R390 PolarHBondContact OG-O 2.85Å; S382-F392 WeakPolarHBondContact OG-CE2 3.29Å
383A96.3Very high90.5Very high0 Ų021.4 Ų21.40%012%0.117CC..EExtended strand (participates in β ladder)trans-105.7130.1-179.600000109.9C368 N369 A370 V410 I413C368-A383 CarbonylContact C-O 3.58Å; C368-A383 WeakPolarHBondContact CA-O 3.34Å; C368-A383 PolarHBondContact SG-O 2.91Å; C368-A383 VanDerWaalsContact SG-O 3.33Å; N369-A383 PolarHBondContact N-O 3.33Å; A370-A383 HydrophobicContact CB-CB 4.14Å; A370-A383 PolarHBondContact O-N 3.43Å; A383-V410 HydrophobicContact CB-CB 3.7Å; A383-V410 HydrophobicContact CB-CG1 3.57Å; A383-I413 HydrophobicContact CB-CB 4.18Å; A383-I413 HydrophobicContact CB-CG2 4.19Å
384W96.9Very high90.2Very high0 Ų023.5 Ų23.50%013%0.127CC..EExtended strand (participates in β ladder)trans-124.3159.5-169.6-6184000112.7V347 V363 V366 S367 C368 S382 D386 G387 N388 F392 V410V347-W384 HydrophobicContact CG2-CH2 4.11Å; V347-W384 HydrophobicContact CG2-CZ2 3.91Å; V363-W384 HydrophobicContact CB-CE3 4.23Å; V363-W384 HydrophobicContact CB-CH2 3.69Å; V363-W384 HydrophobicContact CB-CZ2 4.2Å; V363-W384 HydrophobicContact CB-CZ3 3.7Å; V363-W384 HydrophobicContact CG2-CH2 3.45Å; V363-W384 VanDerWaalsContact CG2-CH2 3.45Å; V363-W384 HydrophobicContact CG2-CZ2 3.55Å; V363-W384 HydrophobicContact CG2-CZ3 4Å; V366-W384 HydrophobicContact CB-CE3 4.23Å; V366-W384 HydrophobicContact CG2-CD2 4.4Å; V366-W384 HydrophobicContact CG2-CE3 3.61Å; V366-W384 HydrophobicContact CG2-CZ3 4.02Å; S367-W384 CarbonylContact O-C 3.6Å; S367-W384 WeakPolarHBondContact O-CA 3.4Å; C368-W384 HydrophobicContact CB-CD2 4.06Å; C368-W384 HydrophobicContact CB-CE3 3.74Å; C368-W384 HydrophobicContact CB-CH2 3.91Å; C368-W384 HydrophobicContact CB-CZ2 4.2Å; C368-W384 HydrophobicContact CB-CZ3 3.67Å; S382-W384 PolarHBondContact OG-NE1 2.95Å; W384-D386 VanDerWaalsContact C-N 3.27Å; W384-D386 WeakPolarHBondContact CB-OD1 3.43Å; W384-D386 PolarHBondContact O-N 3.02Å; W384-G387 PolarHBondContact O-N 2.72Å; W384-N388 PolarHBondContact N-O 2.86Å; W384-F392 HydrophobicContact CZ2-CE2 4.36Å; W384-V410 PolarHBondContact O-N 3.28Å
385S95.6Very high90.1Very high49 Ų4932.3 Ų32.334%0.34317%0.166SC..THydrogen-bonded Turntrans-68-22.4-179.7610000114.3S367 G387 G409S367-S385 PolarHBondContact N-OG 3.34Å; S367-S385 PolarHBondContact O-N 3.42Å; S367-S385 WeakPolarHBondContact OG-CB 3.35Å; S367-S385 PolarHBondContact OG-OG 2.93Å; S385-G387 PolarHBondContact O-N 3.07Å; S385-G409 WeakPolarHBondContact O-CA 3.4Å
386D95.1Very high90.2Very high51 Ų5131.2 Ų31.227%0.27317%0.167SC..THydrogen-bonded Turntrans-74.10.3174.665.6-10.4000113.7V366 W384 N388 R390V366-D386 HydrophobicContact CG1-CB 3.77Å; W384-D386 VanDerWaalsContact C-N 3.27Å; W384-D386 WeakPolarHBondContact CB-OD1 3.43Å; W384-D386 PolarHBondContact O-N 3.02Å; D386-N388 VanDerWaalsContact C-N 3.27Å; D386-N388 VanDerWaalsContact CG-ND2 3.3Å; D386-N388 PolarHBondContact O-N 2.8Å; D386-N388 WeakPolarHBondContact OD1-CB 3.14Å; D386-N388 PolarHBondContact OD1-N 2.52Å; D386-N388 PolarHBondContact OD2-ND2 2.77Å; D386-R390 IonicContact OD1-NH1 3.53Å; D386-R390 PolarHBondContact OD1-NH1 3.49Å; D386-R390 IonicContact OD2-CZ 3.51Å; D386-R390 IonicContact OD2-NH1 2.77Å; D386-R390 PolarHBondContact OD2-NH1 2.89Å; D386-R390 VanDerWaalsContact OD2-NH1 3.13Å; D386-R390 IonicContact OD2-NH2 3.46Å; D386-R390 PolarHBondContact OD2-NH2 2.87Å
387G94.1Very high90.8Very high0 Ų034 Ų340%018%0.178CC..SBendtrans81.66.5-179.600000113.6W384 S385 A405 H406W384-G387 PolarHBondContact O-N 2.72Å; S385-G387 PolarHBondContact O-N 3.07Å; G387-A405 WeakPolarHBondContact O-CA 3.37Å; G387-A405 VanDerWaalsContact O-CB 3.28Å; G387-A405 WeakPolarHBondContact O-CB 3.31Å; G387-A405 PolarHBondContact O-N 2.99Å; G387-H406 VanDerWaalsContact CA-O 3.32Å; G387-H406 WeakPolarHBondContact CA-O 3.12Å; G387-H406 PolarHBondContact O-N 3.34Å
388N96Very high92Very high20 Ų2036 Ų3611%0.10719%0.188CC..  trans-96.4149.8178.2-60.7-34.7000111.5W384 D386 V401 I402 N403 N404W384-N388 PolarHBondContact N-O 2.86Å; D386-N388 VanDerWaalsContact C-N 3.27Å; D386-N388 VanDerWaalsContact CG-ND2 3.3Å; D386-N388 PolarHBondContact O-N 2.8Å; D386-N388 WeakPolarHBondContact OD1-CB 3.14Å; D386-N388 PolarHBondContact OD1-N 2.52Å; D386-N388 PolarHBondContact OD2-ND2 2.77Å; N388-V401 HydrophobicContact CB-CG1 4.37Å; N388-I402 WeakPolarHBondContact CA-O 2.92Å; N388-N403 VanDerWaalsContact OD1-CA 3.27Å; N388-N403 WeakPolarHBondContact OD1-CA 3.27Å; N388-N404 PolarHBondContact OD1-N 3.25Å
389I96.3Very high92.6Very high2 Ų235.6 Ų35.61%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-111.3130.9170.5-58.1166.4000107.7S382 V401 I402 A405 V410 I413S382-I389 WeakPolarHBondContact O-CA 3.21Å; I389-V401 WeakPolarHBondContact O-CA 3.41Å; I389-I402 HydrophobicContact CB-CB 4.14Å; I389-I402 HydrophobicContact CB-CD1 4.42Å; I389-I402 PolarHBondContact N-O 3.22Å; I389-I402 VanDerWaalsContact N-O 3.1Å; I389-I402 PolarHBondContact O-N 3.21Å; I389-A405 HydrophobicContact CD1-CB 3.8Å; I389-A405 HydrophobicContact CG1-CB 4.01Å; I389-V410 HydrophobicContact CD1-CG1 4.46Å; I389-V410 HydrophobicContact CG1-CG1 4.23Å; I389-V410 HydrophobicContact CG1-CG2 3.94Å; I389-I413 HydrophobicContact CD1-CD1 4.41Å; I389-I413 HydrophobicContact CG1-CD1 4.38Å; I389-I413 HydrophobicContact CG2-CD1 3.44Å; I389-I413 VanDerWaalsContact CG2-CD1 3.44Å
390R95Very high92.7Very high28 Ų2837.1 Ų37.111%0.10619%0.189CC..EExtended strand (participates in β ladder)trans-120.3128.5-178.3-60.4177.9174.776.71.2110.1I381 S382 D386 F392 L398 V401I381-R390 WeakPolarHBondContact CA-O 3.38Å; S382-R390 PolarHBondContact N-O 2.9Å; S382-R390 PolarHBondContact O-N 2.9Å; S382-R390 PolarHBondContact OG-O 2.85Å; D386-R390 IonicContact OD1-NH1 3.53Å; D386-R390 PolarHBondContact OD1-NH1 3.49Å; D386-R390 IonicContact OD2-CZ 3.51Å; D386-R390 IonicContact OD2-NH1 2.77Å; D386-R390 PolarHBondContact OD2-NH1 2.89Å; D386-R390 VanDerWaalsContact OD2-NH1 3.13Å; D386-R390 IonicContact OD2-NH2 3.46Å; D386-R390 PolarHBondContact OD2-NH2 2.87Å; R390-F392 HydrophobicContact CB-CD2 4.16Å; R390-F392 HydrophobicContact CB-CE2 3.42Å; R390-F392 VanDerWaalsContact CB-CE2 3.42Å; R390-F392 HydrophobicContact CB-CZ 3.78Å; R390-F392 HydrophobicContact CG-CE2 4.42Å; R390-F392 HydrophobicContact CG-CZ 4.41Å; R390-L398 HydrophobicContact CB-CD1 3.97Å; R390-L398 HydrophobicContact CG-CD1 4.33Å; R390-V401 HydrophobicContact CG-CG1 4.35Å; R390-V401 HydrophobicContact CG-CG2 4.41Å
391R93.9Very high92.8Very high48 Ų4838.9 Ų38.918%0.18120%0.2CC..EExtended strand (participates in β ladder)trans-101.6121.6170.9-177-177173.1-178.31109.1M374 D376 S379 I380 I381 M399 V400M374-R391 VanDerWaalsContact SD-CD 3.56Å; M374-R391 HydrophobicContact SD-CG 3.98Å; M374-R391 PolarHBondContact SD-NE 3.2Å; D376-R391 IonicContact OD2-CZ 2.65Å; D376-R391 IonicContact OD2-NH2 3.44Å; D376-R391 PolarHBondContact OD2-NH2 3.08Å; S379-R391 PolarHBondContact OG-NE 2.68Å; S379-R391 PolarHBondContact OG-NH2 3.22Å; S379-R391 VanDerWaalsContact OG-NH2 3.13Å; I380-R391 CarbonylContact O-C 3.55Å; I380-R391 VanDerWaalsContact O-CA 3.32Å; I380-R391 WeakPolarHBondContact O-CA 3.34Å; I381-R391 HydrophobicContact CG2-CB 4.17Å; I381-R391 HydrophobicContact CG2-CG 4.14Å; R391-M399 HydrophobicContact CG-CE 3.96Å; R391-M399 PolarHBondContact O-N 2.67Å; R391-V400 HydrophobicContact CB-CB 4.17Å; R391-V400 PolarHBondContact N-O 3.13Å; R391-V400 PolarHBondContact O-N 2.96Å
392F93.2Very high92.8Very high10 Ų1039 Ų394%0.04420%0.2CC..EExtended strand (participates in β ladder)trans-113.4146.3177.8-63.4-83.4000110.7I361 V363 S379 I380 S382 W384 R390 Q397 L398I361-F392 HydrophobicContact CD1-CB 3.72Å; I361-F392 HydrophobicContact CD1-CD1 4.1Å; I361-F392 HydrophobicContact CD1-CD2 4.03Å; I361-F392 HydrophobicContact CD1-CG 3.7Å; I361-F392 HydrophobicContact CG1-CD1 4.49Å; I361-F392 HydrophobicContact CG2-CD1 3.95Å; I361-F392 HydrophobicContact CG2-CD2 4.25Å; I361-F392 HydrophobicContact CG2-CE1 3.52Å; I361-F392 HydrophobicContact CG2-CE2 3.83Å; I361-F392 HydrophobicContact CG2-CG 4.3Å; I361-F392 HydrophobicContact CG2-CZ 3.45Å; I361-F392 VanDerWaalsContact CG2-CZ 3.45Å; V363-F392 HydrophobicContact CG2-CZ 4.28Å; S379-F392 CarbonylContact C-O 3.49Å; S379-F392 WeakPolarHBondContact CA-O 3.4Å; I380-F392 PolarHBondContact N-O 3.02Å; I380-F392 PolarHBondContact O-N 3.13Å; S382-F392 WeakPolarHBondContact OG-CE2 3.29Å; W384-F392 HydrophobicContact CZ2-CE2 4.36Å; R390-F392 HydrophobicContact CB-CD2 4.16Å; R390-F392 HydrophobicContact CB-CE2 3.42Å; R390-F392 VanDerWaalsContact CB-CE2 3.42Å; R390-F392 HydrophobicContact CB-CZ 3.78Å; R390-F392 HydrophobicContact CG-CE2 4.42Å; R390-F392 HydrophobicContact CG-CZ 4.41Å; F392-Q397 CarbonylContact C-O 3.54Å; F392-Q397 VanDerWaalsContact CA-O 3.27Å; F392-Q397 WeakPolarHBondContact CA-O 3.48Å; F392-L398 HydrophobicContact CD1-CB 4.07Å; F392-L398 HydrophobicContact CD1-CD1 3.89Å; F392-L398 HydrophobicContact CE1-CB 3.91Å; F392-L398 HydrophobicContact CE1-CD1 3.48Å; F392-L398 VanDerWaalsContact CE1-CD1 3.48Å; F392-L398 HydrophobicContact CE1-CG 4.24Å; F392-L398 HydrophobicContact CE2-CD1 4.44Å; F392-L398 HydrophobicContact CZ-CD1 3.79Å
393G90.6Very high92.6Very high5 Ų543.1 Ų43.15%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-81.6164.2167.300000112C378 K395 G396 Q397C378-G393 CarbonylContact O-C 3.57Å; C378-G393 WeakPolarHBondContact O-CA 3.14Å; G393-K395 PolarHBondContact O-N 2.98Å; G393-G396 PolarHBondContact O-N 2.98Å; G393-Q397 PolarHBondContact N-O 3.4Å
394M85.7Confident92.3Very high45 Ų4549.7 Ų49.722%0.22226%0.257CS..THydrogen-bonded Turntrans-62.6-5.8177.7-66.4-55.8142.700115.6F373 C378 I380F373-M394 HydrophobicContact CD1-CE 3.68Å; F373-M394 HydrophobicContact CE1-CE 3.55Å; F373-M394 HydrophobicContact CE1-SD 4.06Å; C378-M394 VanDerWaalsContact C-CE 3.42Å; C378-M394 WeakPolarHBondContact O-CG 3.24Å; C378-M394 PolarHBondContact O-N 2.95Å; I380-M394 HydrophobicContact CD1-CE 4.09Å; I380-M394 HydrophobicContact CD1-SD 4.1Å; I380-M394 HydrophobicContact CG1-CE 3.48Å; I380-M394 VanDerWaalsContact CG1-CE 3.48Å; I380-M394 HydrophobicContact CG1-SD 4.16Å
395K86.6Confident92.1Very high186 Ų18649.7 Ų49.781%0.80926%0.258SS*.THydrogen-bonded Turntrans-97.24.6171.7-63.6-175.9-179.8178.90113.3G393 Q397G393-K395 PolarHBondContact O-N 2.98Å; K395-Q397 VanDerWaalsContact C-N 3.29Å; K395-Q397 PolarHBondContact O-N 3.04Å
396G85.8Confident92Very high24 Ų2447.8 Ų47.825%0.24724%0.243CC..SBendtrans82.9-0.5-175.400000114.7G393 L398G393-G396 PolarHBondContact O-N 2.98Å; G396-L398 PolarHBondContact O-N 2.85Å
397Q90.2Very high91.8Very high114 Ų11457.1 Ų57.153%0.53327%0.274SS..  trans-67.3129.3178.987.1-172.93400110.2F392 G393 K395 M399F392-Q397 CarbonylContact C-O 3.54Å; F392-Q397 VanDerWaalsContact CA-O 3.27Å; F392-Q397 WeakPolarHBondContact CA-O 3.48Å; G393-Q397 PolarHBondContact N-O 3.4Å; K395-Q397 VanDerWaalsContact C-N 3.29Å; K395-Q397 PolarHBondContact O-N 3.04Å; Q397-M399 HydrophobicContact CG-CG 3.75Å; Q397-M399 HydrophobicContact CG-SD 4.4Å; Q397-M399 PolarHBondContact O-N 2.85Å
398L91.6Very high91.7Very high91 Ų9163.5 Ų63.548%0.47630%0.304SS..EExtended strand (participates in β ladder)trans-73.5119.4170.5-178.963.8000108.9R390 F392 G396 V401R390-L398 HydrophobicContact CB-CD1 3.97Å; R390-L398 HydrophobicContact CG-CD1 4.33Å; F392-L398 HydrophobicContact CD1-CB 4.07Å; F392-L398 HydrophobicContact CD1-CD1 3.89Å; F392-L398 HydrophobicContact CE1-CB 3.91Å; F392-L398 HydrophobicContact CE1-CD1 3.48Å; F392-L398 VanDerWaalsContact CE1-CD1 3.48Å; F392-L398 HydrophobicContact CE1-CG 4.24Å; F392-L398 HydrophobicContact CE2-CD1 4.44Å; F392-L398 HydrophobicContact CZ-CD1 3.79Å; G396-L398 PolarHBondContact O-N 2.85Å; L398-V401 HydrophobicContact CD1-CG2 3.77Å; L398-V401 HydrophobicContact CD2-CG2 3.56Å; L398-V401 HydrophobicContact CG-CG2 3.9Å
399M89.5Confident91.6Very high72 Ų7262.7 Ų62.736%0.35530%0.3SS..EExtended strand (participates in β ladder)trans-99.6-47.6-177.1-63.7-163.4-66.900112.2S379 R391 Q397S379-M399 WeakPolarHBondContact OG-CE 3.16Å; R391-M399 HydrophobicContact CG-CE 3.96Å; R391-M399 PolarHBondContact O-N 2.67Å; Q397-M399 HydrophobicContact CG-CG 3.75Å; Q397-M399 HydrophobicContact CG-SD 4.4Å; Q397-M399 PolarHBondContact O-N 2.85Å
400V90.8Very high91.6Very high34 Ų3462.6 Ų62.621%0.20630%0.3CS..EExtended strand (participates in β ladder)trans-140.5136.7-178.5-178.70000109.5R391 I402 Y441R391-V400 HydrophobicContact CB-CB 4.17Å; R391-V400 PolarHBondContact N-O 3.13Å; R391-V400 PolarHBondContact O-N 2.96Å; V400-I402 HydrophobicContact CG1-CG1 4.37Å; V400-Y441 HydrophobicContact CG1-CD1 4.09Å
401V94Very high91.6Very high38 Ų3863 Ų6323%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-117.5120.4167-173.40000108.3N388 I389 R390 L398 N403 Y441N388-V401 HydrophobicContact CB-CG1 4.37Å; I389-V401 WeakPolarHBondContact O-CA 3.41Å; R390-V401 HydrophobicContact CG-CG1 4.35Å; R390-V401 HydrophobicContact CG-CG2 4.41Å; L398-V401 HydrophobicContact CD1-CG2 3.77Å; L398-V401 HydrophobicContact CD2-CG2 3.56Å; L398-V401 HydrophobicContact CG-CG2 3.9Å; V401-N403 WeakPolarHBondContact CG1-OD1 3.32Å; V401-Y441 VanDerWaalsContact O-CE1 3.25Å; V401-Y441 WeakPolarHBondContact O-CE1 3.23Å
402I94.5Very high91.6Very high2 Ų260.9 Ų60.91%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-90.6102.9168.4-55.3177.7000106.3N388 I389 V400 A405 W434 Y441N388-I402 WeakPolarHBondContact CA-O 2.92Å; I389-I402 HydrophobicContact CB-CB 4.14Å; I389-I402 HydrophobicContact CB-CD1 4.42Å; I389-I402 PolarHBondContact N-O 3.22Å; I389-I402 VanDerWaalsContact N-O 3.1Å; I389-I402 PolarHBondContact O-N 3.21Å; V400-I402 HydrophobicContact CG1-CG1 4.37Å; I402-A405 HydrophobicContact CG2-CB 4.02Å; I402-W434 HydrophobicContact CD1-CB 4.16Å; I402-W434 HydrophobicContact CD1-CD2 4.12Å; I402-W434 HydrophobicContact CD1-CE3 4.46Å; I402-W434 HydrophobicContact CD1-CG 3.97Å; I402-W434 HydrophobicContact CG2-CD2 3.95Å; I402-W434 HydrophobicContact CG2-CE3 3.81Å; I402-W434 HydrophobicContact CG2-CH2 3.7Å; I402-W434 HydrophobicContact CG2-CZ2 3.85Å; I402-W434 HydrophobicContact CG2-CZ3 3.67Å; I402-Y441 HydrophobicContact CB-CD2 4.47Å; I402-Y441 HydrophobicContact CB-CE2 4.32Å; I402-Y441 HydrophobicContact CG1-CD1 4.07Å; I402-Y441 HydrophobicContact CG1-CD2 4.14Å; I402-Y441 HydrophobicContact CG1-CE1 4.38Å; I402-Y441 HydrophobicContact CG1-CE2 4.45Å; I402-Y441 HydrophobicContact CG1-CG 3.93Å; I402-Y441 HydrophobicContact CG2-CD2 3.95Å; I402-Y441 HydrophobicContact CG2-CE2 3.69Å
403N92.9Very high91.7Very high86 Ų8660.9 Ų60.946%0.4630%0.299SS..THydrogen-bonded Turntrans-79.1141.4-177.5-65.4-54.8000111.5N388 V401 A405 Y441N388-N403 VanDerWaalsContact OD1-CA 3.27Å; N388-N403 WeakPolarHBondContact OD1-CA 3.27Å; V401-N403 WeakPolarHBondContact CG1-OD1 3.32Å; N403-A405 VanDerWaalsContact C-N 3.26Å; N403-A405 PolarHBondContact O-N 3.2Å; N403-Y441 PolarHBondContact N-OH 2.67Å
404N89.8Confident91.9Very high138 Ų13860.9 Ų60.974%0.73830%0.298SS*.THydrogen-bonded Turntrans51.442.8177.4-60.4-54.3000112.8N388 H406N388-N404 PolarHBondContact OD1-N 3.25Å; N404-H406 PolarHBondContact O-N 3.24Å
405A92.2Very high92.2Very high1 Ų158.9 Ų58.91%0.00829%0.289CS..SBendtrans-61.8-37.6178.100000111.1G387 I389 I402 N403 V410 H432 W434G387-A405 WeakPolarHBondContact O-CA 3.37Å; G387-A405 VanDerWaalsContact O-CB 3.28Å; G387-A405 WeakPolarHBondContact O-CB 3.31Å; G387-A405 PolarHBondContact O-N 2.99Å; I389-A405 HydrophobicContact CD1-CB 3.8Å; I389-A405 HydrophobicContact CG1-CB 4.01Å; I402-A405 HydrophobicContact CG2-CB 4.02Å; N403-A405 VanDerWaalsContact C-N 3.26Å; N403-A405 PolarHBondContact O-N 3.2Å; A405-V410 HydrophobicContact CB-CG2 4.37Å; A405-H432 PolarHBondContact O-CD2 2.86Å; A405-H432 PolarHBondContact O-NE2 3.18Å; A405-W434 HydrophobicContact CB-CH2 4.45Å; A405-W434 HydrophobicContact CB-CZ2 3.71Å
406H93.6Very high92.4Very high8 Ų850.2 Ų50.24%0.03725%0.252CS..  trans-141.8153.4178.5-68.3-82000111.6G387 N404 V410 S424 G426 E428 K430 H432G387-H406 VanDerWaalsContact CA-O 3.32Å; G387-H406 WeakPolarHBondContact CA-O 3.12Å; G387-H406 PolarHBondContact O-N 3.34Å; N404-H406 PolarHBondContact O-N 3.24Å; H406-V410 HydrophobicContact CB-CG2 4.19Å; H406-S424 WeakPolarHBondContact NE2-CB 3.48Å; H406-S424 PolarHBondContact NE2-O 2.95Å; H406-S424 PolarHBondContact NE2-OG 3.4Å; H406-G426 PolarHBondContact CE1-N 2.89Å; H406-G426 VanDerWaalsContact CE1-N 3.31Å; H406-G426 VanDerWaalsContact ND1-CA 3.31Å; H406-G426 WeakPolarHBondContact ND1-CA 3.31Å; H406-E428 IonicContact CE1-OE1 3.74Å; H406-E428 IonicContact CG-OE1 2.77Å; H406-E428 IonicContact ND1-OE1 3.24Å; H406-E428 PolarHBondContact ND1-OE1 3.46Å; H406-E428 IonicContact ND1-OE2 2.7Å; H406-K430 PolarHBondContact CE1-O 2.89Å; H406-H432 AromaticContact CE1-CE1 3.61Å; H406-H432 AromaticContact CE1-CG 3.73Å; H406-H432 AromaticContact CE1-ND1 3.08Å; H406-H432 PolarHBondContact CE1-ND1 3.07Å; H406-H432 AromaticContact ND1-CE1 3.73Å; H406-H432 AromaticContact ND1-ND1 3.68Å; H406-H432 AromaticContact NE2-ND1 3.8Å
407R91.1Very high92.5Very high247 Ų24753.9 Ų53.993%0.93226%0.261SS*.SBendtrans-83.4-30.9-177.5-71.6-173.9-178.8-179-1113.4E428R407-E428 PolarHBondContact N-OE2 2.6Å
408Q92.3Very high92.2Very high135 Ų13552.2 Ų52.263%0.63126%0.256SS*.SBendtrans-110.233-176.8-65.3-173.50.300112.1G427 E428Q408-G427 PolarHBondContact OE1-O 2.82Å; Q408-E428 HydrophobicContact CG-CB 4.43Å; Q408-E428 PolarHBondContact N-OE2 3.17Å
409G93.3Very high91.8Very high2 Ų248.6 Ų48.62%0.02124%0.24CC..  trans78.3160.5-174.100000113S385 G426 G427S385-G409 WeakPolarHBondContact O-CA 3.4Å; G409-G426 WeakPolarHBondContact O-CA 3.35Å; G409-G427 PolarHBondContact O-N 2.85Å
410V96.4Very high91.7Very high0 Ų051.3 Ų51.30%025%0.25CS..EExtended strand (participates in β ladder)trans-97.9124.7175.2-166.90000108.2N369 A383 W384 I389 A405 H406 G425N369-V410 WeakPolarHBondContact CB-O 3.49Å; N369-V410 PolarHBondContact ND2-O 2.84Å; A383-V410 HydrophobicContact CB-CB 3.7Å; A383-V410 HydrophobicContact CB-CG1 3.57Å; W384-V410 PolarHBondContact O-N 3.28Å; I389-V410 HydrophobicContact CD1-CG1 4.46Å; I389-V410 HydrophobicContact CG1-CG1 4.23Å; I389-V410 HydrophobicContact CG1-CG2 3.94Å; A405-V410 HydrophobicContact CB-CG2 4.37Å; H406-V410 HydrophobicContact CB-CG2 4.19Å; V410-G425 WeakPolarHBondContact CG1-O 3.35Å
411T95Very high91.7Very high36 Ų3653.6 Ų53.622%0.22126%0.255CS..EExtended strand (participates in β ladder)trans-107.6-26.3-172.953.40000113.2G425 V454T411-G425 PolarHBondContact N-O 3.05Å; T411-G425 PolarHBondContact OG1-O 2.73Å; T411-V454 VanDerWaalsContact CB-O 3.29Å; T411-V454 WeakPolarHBondContact CB-O 3.1Å; T411-V454 PolarHBondContact OG1-O 2.95Å
412A94.8Very high91.7Very high4 Ų451.9 Ų51.93%0.03325%0.245CC..EExtended strand (participates in β ladder)trans-141.4148.7177.700000110.6G425 V454 L457A412-G425 PolarHBondContact N-O 3.16Å; A412-G425 PolarHBondContact O-N 2.99Å; A412-V454 HydrophobicContact CB-CG1 4.24Å; A412-L457 HydrophobicContact CB-CB 3.83Å
413I96.1Very high91.8Very high10 Ų1051.9 Ų51.95%0.05124%0.244CC..EExtended strand (participates in β ladder)trans-149.7147.6-179.5-159.8177.6000110.4A370 D372 I381 A383 I389 I422 I423A370-I413 HydrophobicContact CB-CG2 4.09Å; D372-I413 HydrophobicContact CB-CG2 4.42Å; I381-I413 HydrophobicContact CB-CD1 3.98Å; I381-I413 HydrophobicContact CD1-CD1 3.77Å; I381-I413 HydrophobicContact CD1-CG1 3.9Å; I381-I413 HydrophobicContact CD1-CG2 4.48Å; I381-I413 HydrophobicContact CG1-CD1 4.2Å; A383-I413 HydrophobicContact CB-CB 4.18Å; A383-I413 HydrophobicContact CB-CG2 4.19Å; I389-I413 HydrophobicContact CD1-CD1 4.41Å; I389-I413 HydrophobicContact CG1-CD1 4.38Å; I389-I413 HydrophobicContact CG2-CD1 3.44Å; I389-I413 VanDerWaalsContact CG2-CD1 3.44Å; I413-I422 HydrophobicContact CD1-CG2 3.81Å; I413-I422 HydrophobicContact CG1-CG2 3.74Å; I413-I423 WeakPolarHBondContact CA-O 3.46Å
414A94.1Very high92Very high5 Ų547.8 Ų47.84%0.04122%0.223CC..EExtended strand (participates in β ladder)trans-149.1153.6164.300000111.3D372 I423 L457 M459D372-A414 WeakPolarHBondContact OD2-CA 3.42Å; A414-I423 PolarHBondContact N-O 3.29Å; A414-I423 PolarHBondContact O-N 3.27Å; A414-L457 HydrophobicContact CB-CD2 3.23Å; A414-M459 HydrophobicContact CB-CG 3.73Å
415A92Very high92.2Very high4 Ų441.2 Ų41.23%0.03319%0.187CC..EExtended strand (participates in β ladder)trans-100.4152.9170.900000111.4D372 M374 I381D372-A415 PolarHBondContact OD2-N 2.99Å; M374-A415 HydrophobicContact CG-CB 4.1Å; I381-A415 HydrophobicContact CD1-CB 3.8Å
416T91.4Very high92.4Very high4 Ų441.1 Ų41.13%0.02519%0.187CC..  trans-78.3157167.348.20000111.5H375 D418 G419 R421 M459 D463H375-T416 PolarHBondContact CD2-O 3.33Å; T416-D418 VanDerWaalsContact CB-OD1 3.29Å; T416-D418 WeakPolarHBondContact CB-OD1 3.38Å; T416-D418 PolarHBondContact O-N 2.87Å; T416-D418 PolarHBondContact OG1-OD1 2.98Å; T416-G419 PolarHBondContact O-N 2.87Å; T416-R421 HydrophobicContact CG2-CB 3.8Å; T416-R421 PolarHBondContact N-O 3.28Å; T416-R421 VanDerWaalsContact N-O 3.1Å; T416-R421 WeakPolarHBondContact OG1-CA 3.23Å; T416-R421 WeakPolarHBondContact OG1-CB 3.42Å; T416-R421 PolarHBondContact OG1-N 2.92Å; T416-R421 PolarHBondContact OG1-O 3.43Å; T416-R421 VanDerWaalsContact OG1-O 3.11Å; T416-M459 HydrophobicContact CG2-CE 3.82Å; T416-D463 HydrophobicContact CG2-CB 4.33Å
417K86.4Confident92.3Very high101 Ų10141 Ų4144%0.43919%0.187SC..THydrogen-bonded Turntrans-63.3-30.1178.1-57-171.8170.2176.20113.7H375 G419 S461 D463H375-K417 WeakPolarHBondContact CB-O 3.49Å; H375-K417 VanDerWaalsContact CD2-CA 3.43Å; H375-K417 WeakPolarHBondContact CD2-CA 3.25Å; K417-G419 PolarHBondContact O-N 3.33Å; K417-S461 WeakPolarHBondContact CE-O 3.42Å; K417-S461 PolarHBondContact NZ-O 2.89Å; K417-D463 WeakPolarHBondContact CA-OD2 3.33Å; K417-D463 WeakPolarHBondContact CB-OD2 3.08Å; K417-D463 VanDerWaalsContact N-CG 3.31Å; K417-D463 PolarHBondContact N-OD1 3.22Å; K417-D463 PolarHBondContact N-OD2 2.82Å
418D83.5Confident92.4Very high79 Ų7931.2 Ų31.242%0.42215%0.152SC..THydrogen-bonded Turntrans-69.7-11.3174.473.2-2.7000113.5T416 K420T416-D418 VanDerWaalsContact CB-OD1 3.29Å; T416-D418 WeakPolarHBondContact CB-OD1 3.38Å; T416-D418 PolarHBondContact O-N 2.87Å; T416-D418 PolarHBondContact OG1-OD1 2.98Å; D418-K420 HydrophobicContact CB-CG 4.38Å; D418-K420 PolarHBondContact O-N 2.77Å; D418-K420 PolarHBondContact OD1-N 3.27Å
419G83.9Confident92.4Very high15 Ų1524.8 Ų24.816%0.15512%0.122CC..SBendtrans66.68.2-177.100000114.3M374 T416 K417M374-G419 WeakPolarHBondContact CE-O 3.18Å; T416-G419 PolarHBondContact O-N 2.87Å; K417-G419 PolarHBondContact O-N 3.33Å
420K87.3Confident92.5Very high129 Ų12929 Ų2956%0.56114%0.14SC*.SBendtrans-96.4-18.6-176.3-61.8-179.2-177.6175.60112.9D418 L436D418-K420 HydrophobicContact CB-CG 4.38Å; D418-K420 PolarHBondContact O-N 2.77Å; D418-K420 PolarHBondContact OD1-N 3.27Å; K420-L436 WeakPolarHBondContact O-CB 3.16Å; K420-L436 PolarHBondContact O-N 3.49Å
421R91.6Very high92.4Very high82 Ų8229.1 Ų29.131%0.30914%0.14SC..EExtended strand (participates in β ladder)trans-125.4146.9-179-56.1179.6-174.8-1771.5112T416 W434T416-R421 HydrophobicContact CG2-CB 3.8Å; T416-R421 PolarHBondContact N-O 3.28Å; T416-R421 VanDerWaalsContact N-O 3.1Å; T416-R421 WeakPolarHBondContact OG1-CA 3.23Å; T416-R421 WeakPolarHBondContact OG1-CB 3.42Å; T416-R421 PolarHBondContact OG1-N 2.92Å; T416-R421 PolarHBondContact OG1-O 3.43Å; T416-R421 VanDerWaalsContact OG1-O 3.11Å; R421-W434 CarbonylContact C-O 3.51Å; R421-W434 WeakPolarHBondContact CA-O 3.37Å; R421-W434 WeakPolarHBondContact CB-O 3.14Å
422I94.4Very high92.5Very high2 Ų228.2 Ų28.21%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-121.7137170.3-64.4178.2000107.5I381 I413 W434 L436I381-I422 HydrophobicContact CD1-CG1 4.47Å; I381-I422 HydrophobicContact CD1-CG2 4.43Å; I381-I422 HydrophobicContact CG2-CD1 3.68Å; I413-I422 HydrophobicContact CD1-CG2 3.81Å; I413-I422 HydrophobicContact CG1-CG2 3.74Å; I422-W434 HydrophobicContact CB-CB 4.35Å; I422-W434 PolarHBondContact N-O 3.47Å; I422-W434 PolarHBondContact O-N 2.81Å; I422-L436 HydrophobicContact CD1-CD1 3.74Å; I422-L436 HydrophobicContact CD1-CD2 3.99Å; I422-L436 HydrophobicContact CD1-CG 4.14Å; I422-L436 HydrophobicContact CG1-CD1 3.8Å; I422-L436 HydrophobicContact CG1-CG 4.19Å
423I95.8Very high92.5Very high1 Ų128.1 Ų28.11%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-115.5129.2173.1-62.5151.7000108.1I413 A414 M431 H432 V433 L457 M459 L480I413-I423 WeakPolarHBondContact CA-O 3.46Å; A414-I423 PolarHBondContact N-O 3.29Å; A414-I423 PolarHBondContact O-N 3.27Å; I423-M431 HydrophobicContact CG2-CE 3.26Å; I423-H432 WeakPolarHBondContact CA-O 3.33Å; I423-V433 HydrophobicContact CG1-CG1 4.03Å; I423-V433 HydrophobicContact CG1-CG2 4.21Å; I423-L457 HydrophobicContact CB-CD1 4.36Å; I423-L457 HydrophobicContact CB-CD2 4.5Å; I423-L457 HydrophobicContact CG2-CD1 3.5Å; I423-L457 HydrophobicContact CG2-CD2 4.38Å; I423-M459 HydrophobicContact CD1-CE 3.63Å; I423-M459 HydrophobicContact CD1-SD 3.2Å; I423-M459 WeakPolarHBondContact CD1-SD 3.17Å; I423-L480 HydrophobicContact CD1-CD1 3.59Å; I423-L480 HydrophobicContact CD1-CD2 3.76Å; I423-L480 HydrophobicContact CD1-CG 4.35Å; I423-L480 HydrophobicContact CG1-CD2 4.39Å
424S96.4Very high92.5Very high0 Ų028.4 Ų28.40%013%0.133CC..EExtended strand (participates in β ladder)trans-126.6135.2-176.264.80000112.1H406 M431 H432 W434H406-S424 WeakPolarHBondContact NE2-CB 3.48Å; H406-S424 PolarHBondContact NE2-O 2.95Å; H406-S424 PolarHBondContact NE2-OG 3.4Å; S424-M431 VanDerWaalsContact C-CE 3.44Å; S424-M431 CarbonylContact O-C 3.53Å; S424-M431 WeakPolarHBondContact O-CA 3.4Å; S424-M431 WeakPolarHBondContact O-CE 3.23Å; S424-H432 PolarHBondContact N-O 3.44Å; S424-H432 PolarHBondContact O-N 3.39Å; S424-W434 PolarHBondContact OG-NE1 3.04Å
425G95.8Very high92.4Very high0 Ų030.8 Ų30.80%014%0.144CC..EExtended strand (participates in β ladder)trans-106.3130.3173.100000110.9V410 T411 A412 M431V410-G425 WeakPolarHBondContact CG1-O 3.35Å; T411-G425 PolarHBondContact N-O 3.05Å; T411-G425 PolarHBondContact OG1-O 2.73Å; A412-G425 PolarHBondContact N-O 3.16Å; A412-G425 PolarHBondContact O-N 2.99Å; G425-M431 WeakPolarHBondContact CA-SD 3.43Å
426G94.5Very high92.3Very high0 Ų031.5 Ų31.50%015%0.147CC..EExtended strand (participates in β ladder)trans-98.4162.3-178.900000114.1H406 G409 E428 G429 K430 V454H406-G426 PolarHBondContact CE1-N 2.89Å; H406-G426 VanDerWaalsContact CE1-N 3.31Å; H406-G426 VanDerWaalsContact ND1-CA 3.31Å; H406-G426 WeakPolarHBondContact ND1-CA 3.31Å; G409-G426 WeakPolarHBondContact O-CA 3.35Å; G426-E428 PolarHBondContact O-N 3.12Å; G426-G429 PolarHBondContact O-N 3.5Å; G426-K430 PolarHBondContact N-O 2.69Å; G426-V454 PolarHBondContact O-N 3.19Å
427G93.3Very high92.1Very high4 Ų435 Ų354%0.04117%0.165CC..THydrogen-bonded Turntrans-58.3-27.7170.200000113.2Q408 G409 G429 P453Q408-G427 PolarHBondContact OE1-O 2.82Å; G409-G427 PolarHBondContact O-N 2.85Å; G427-G429 PolarHBondContact O-N 2.95Å; G427-P453 VanDerWaalsContact O-CA 3.27Å; G427-P453 WeakPolarHBondContact O-CA 3.46Å; G427-P453 WeakPolarHBondContact O-CD 3.1Å; G427-P453 VanDerWaalsContact O-CG 3.27Å; G427-P453 WeakPolarHBondContact O-CG 3.24Å
428E93Very high91.7Very high42 Ų4235.9 Ų35.920%0.19618%0.181CC..THydrogen-bonded Turntrans-78-0.8176.872-83.6-176.700114.9H406 R407 Q408 G426 K430H406-E428 IonicContact CE1-OE1 3.74Å; H406-E428 IonicContact CG-OE1 2.77Å; H406-E428 IonicContact ND1-OE1 3.24Å; H406-E428 PolarHBondContact ND1-OE1 3.46Å; H406-E428 IonicContact ND1-OE2 2.7Å; R407-E428 PolarHBondContact N-OE2 2.6Å; Q408-E428 HydrophobicContact CG-CB 4.43Å; Q408-E428 PolarHBondContact N-OE2 3.17Å; G426-E428 PolarHBondContact O-N 3.12Å; E428-K430 HydrophobicContact CG-CB 3.97Å; E428-K430 HydrophobicContact CG-CD 4.05Å; E428-K430 HydrophobicContact CG-CG 3.82Å
429G91.9Very high91.4Very high0 Ų041.3 Ų41.30%020%0.203CC..SBendtrans82.47-178.900000115.3G426 G427 H450 K452G426-G429 PolarHBondContact O-N 3.5Å; G427-G429 PolarHBondContact O-N 2.95Å; G429-H450 WeakPolarHBondContact O-CB 3.4Å; G429-K452 WeakPolarHBondContact CA-O 3.2Å
430K94.4Very high91.4Very high91 Ų9142.9 Ų42.940%0.39622%0.215SC..EExtended strand (participates in β ladder)trans-89.9146.9173.5-63.3-177.3-176.4-179.40110.9H406 G426 E428 I446 V448H406-K430 PolarHBondContact CE1-O 2.89Å; G426-K430 PolarHBondContact N-O 2.69Å; E428-K430 HydrophobicContact CG-CB 3.97Å; E428-K430 HydrophobicContact CG-CD 4.05Å; E428-K430 HydrophobicContact CG-CG 3.82Å; K430-I446 HydrophobicContact CB-CG2 4.49Å; K430-I446 HydrophobicContact CD-CG2 4.34Å; K430-V448 HydrophobicContact CG-CG2 4.35Å
431M95.5Very high91.6Very high2 Ų240.6 Ų40.61%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-109.9132.1176-75.9-56.8-42.600109I423 S424 G425 I446 M447 V454 L457 T468I423-M431 HydrophobicContact CG2-CE 3.26Å; S424-M431 VanDerWaalsContact C-CE 3.44Å; S424-M431 CarbonylContact O-C 3.53Å; S424-M431 WeakPolarHBondContact O-CA 3.4Å; S424-M431 WeakPolarHBondContact O-CE 3.23Å; G425-M431 WeakPolarHBondContact CA-SD 3.43Å; M431-I446 CarbonylContact O-C 3.55Å; M431-I446 WeakPolarHBondContact O-CA 3.25Å; M431-M447 HydrophobicContact CB-CB 3.88Å; M431-M447 PolarHBondContact N-O 2.59Å; M431-M447 PolarHBondContact O-N 2.81Å; M431-V454 HydrophobicContact SD-CG1 4.15Å; M431-V454 HydrophobicContact SD-CG2 3.97Å; M431-L457 HydrophobicContact CE-CD1 3.05Å; M431-L457 HydrophobicContact SD-CD1 3.87Å; M431-T468 HydrophobicContact CE-CG2 4.2Å; M431-T468 HydrophobicContact CG-CG2 4.14Å; M431-T468 HydrophobicContact SD-CG2 3.7Å
432H95.6Very high91.7Very high18 Ų1842.4 Ų42.48%0.08321%0.214CC..EExtended strand (participates in β ladder)trans-119.1135.7176.5-67.448.1000109.4A405 H406 I423 S424 W434 I443A405-H432 PolarHBondContact O-CD2 2.86Å; A405-H432 PolarHBondContact O-NE2 3.18Å; H406-H432 AromaticContact CE1-CE1 3.61Å; H406-H432 AromaticContact CE1-CG 3.73Å; H406-H432 AromaticContact CE1-ND1 3.08Å; H406-H432 PolarHBondContact CE1-ND1 3.07Å; H406-H432 AromaticContact ND1-CE1 3.73Å; H406-H432 AromaticContact ND1-ND1 3.68Å; H406-H432 AromaticContact NE2-ND1 3.8Å; I423-H432 WeakPolarHBondContact CA-O 3.33Å; S424-H432 PolarHBondContact N-O 3.44Å; S424-H432 PolarHBondContact O-N 3.39Å; H432-W434 HydrophobicContact CB-CZ2 3.88Å; H432-W434 AromaticContact CD2-CZ2 3.76Å; H432-I443 HydrophobicContact CB-CD1 4.4Å; H432-I443 WeakPolarHBondContact CD2-CD1 3.35Å
433V95.8Very high91.7Very high1 Ų145.5 Ų45.51%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-109120.2173.7-171.10000108.5I423 L444 R445 M447 L480 F483I423-V433 HydrophobicContact CG1-CG1 4.03Å; I423-V433 HydrophobicContact CG1-CG2 4.21Å; V433-L444 HydrophobicContact CB-CB 4.45Å; V433-L444 HydrophobicContact CG1-CB 4.47Å; V433-L444 HydrophobicContact CG1-CD1 4.22Å; V433-L444 PolarHBondContact O-N 3Å; V433-R445 PolarHBondContact N-O 3.26Å; V433-M447 HydrophobicContact CG2-SD 3.62Å; V433-L480 HydrophobicContact CG2-CD2 4.24Å; V433-F483 HydrophobicContact CB-CE1 4.21Å; V433-F483 HydrophobicContact CG1-CE1 4.11Å; V433-F483 HydrophobicContact CG2-CD1 4.16Å; V433-F483 HydrophobicContact CG2-CE1 4.12Å
434W95.2Very high91.5Very high16 Ų1646.9 Ų46.96%0.06124%0.237CC..EExtended strand (participates in β ladder)trans-110.1137.1-177.2-54.492.3000110I402 A405 R421 I422 S424 H432 Y441 K442 I443I402-W434 HydrophobicContact CD1-CB 4.16Å; I402-W434 HydrophobicContact CD1-CD2 4.12Å; I402-W434 HydrophobicContact CD1-CE3 4.46Å; I402-W434 HydrophobicContact CD1-CG 3.97Å; I402-W434 HydrophobicContact CG2-CD2 3.95Å; I402-W434 HydrophobicContact CG2-CE3 3.81Å; I402-W434 HydrophobicContact CG2-CH2 3.7Å; I402-W434 HydrophobicContact CG2-CZ2 3.85Å; I402-W434 HydrophobicContact CG2-CZ3 3.67Å; A405-W434 HydrophobicContact CB-CH2 4.45Å; A405-W434 HydrophobicContact CB-CZ2 3.71Å; R421-W434 CarbonylContact C-O 3.51Å; R421-W434 WeakPolarHBondContact CA-O 3.37Å; R421-W434 WeakPolarHBondContact CB-O 3.14Å; I422-W434 HydrophobicContact CB-CB 4.35Å; I422-W434 PolarHBondContact N-O 3.47Å; I422-W434 PolarHBondContact O-N 2.81Å; S424-W434 PolarHBondContact OG-NE1 3.04Å; H432-W434 HydrophobicContact CB-CZ2 3.88Å; H432-W434 AromaticContact CD2-CZ2 3.76Å; W434-Y441 AromaticContact CE3-CD2 3.84Å; W434-Y441 HydrophobicContact CE3-CD2 3.84Å; W434-Y441 HydrophobicContact CE3-CE2 4.34Å; W434-Y441 AromaticContact CZ3-CD2 3.87Å; W434-Y441 HydrophobicContact CZ3-CD2 3.87Å; W434-Y441 AromaticContact CZ3-CE2 3.92Å; W434-Y441 HydrophobicContact CZ3-CE2 3.92Å; W434-K442 CarbonylContact C-O 3.59Å; W434-K442 WeakPolarHBondContact CA-O 3.49Å; W434-I443 HydrophobicContact CE3-CB 3.89Å; W434-I443 HydrophobicContact CE3-CG1 4.33Å; W434-I443 HydrophobicContact CH2-CB 4.25Å; W434-I443 HydrophobicContact CH2-CD1 4.02Å; W434-I443 HydrophobicContact CH2-CG1 4.39Å; W434-I443 HydrophobicContact CZ2-CD1 4.28Å; W434-I443 HydrophobicContact CZ3-CB 3.68Å; W434-I443 HydrophobicContact CZ3-CD1 4.31Å; W434-I443 HydrophobicContact CZ3-CG1 4.22Å
435E93.4Very high91.4Very high56 Ų5654 Ų5426%0.26226%0.264SS..EExtended strand (participates in β ladder)trans-99.2127.8166.1-176.5173.7-147.100109L437 Y441 K442 L444E435-L437 HydrophobicContact CG-CD2 4.33Å; E435-Y441 CarbonylContact O-C 3.56Å; E435-Y441 VanDerWaalsContact O-CA 3.29Å; E435-Y441 WeakPolarHBondContact O-CA 3.36Å; E435-K442 PolarHBondContact N-O 2.66Å; E435-K442 PolarHBondContact O-N 3.01Å; E435-L444 HydrophobicContact CB-CD1 3.97Å; E435-L444 HydrophobicContact CB-CD2 4.08Å; E435-L444 HydrophobicContact CB-CG 3.85Å
436L89.9Confident91.3Very high19 Ų1958.4 Ų58.410%0.09929%0.286CS..EExtended strand (participates in β ladder)trans-92.5115.9174.6-64.8175.6000109.1M374 K420 I422M374-L436 HydrophobicContact CE-CD1 3.47Å; M374-L436 VanDerWaalsContact CE-CD1 3.47Å; M374-L436 HydrophobicContact SD-CD1 4.23Å; K420-L436 WeakPolarHBondContact O-CB 3.16Å; K420-L436 PolarHBondContact O-N 3.49Å; I422-L436 HydrophobicContact CD1-CD1 3.74Å; I422-L436 HydrophobicContact CD1-CD2 3.99Å; I422-L436 HydrophobicContact CD1-CG 4.14Å; I422-L436 HydrophobicContact CG1-CD1 3.8Å; I422-L436 HydrophobicContact CG1-CG 4.19Å
437L86.2Confident91.3Very high77 Ų7758.7 Ų58.740%0.40329%0.287SS..EExtended strand (participates in β ladder)trans-99.4160.3170.6-58.7169.8000108.8E435 H439 A440E435-L437 HydrophobicContact CG-CD2 4.33Å; L437-H439 PolarHBondContact O-N 3.45Å; L437-A440 CarbonylContact C-O 3.55Å; L437-A440 WeakPolarHBondContact CA-O 3.36Å; L437-A440 HydrophobicContact CB-CB 4.37Å; L437-A440 WeakPolarHBondContact CB-O 3.41Å; L437-A440 HydrophobicContact CD1-CB 4.43Å; L437-A440 PolarHBondContact N-O 3.3Å; L437-A440 PolarHBondContact O-N 3.5Å
438P77.9Confident91.3Very high120 Ų12063 Ų6378%0.77931%0.313SS*.THydrogen-bonded Turntrans-53.8-30.9-177.3-29.436.1000115.2
439H76.9Confident91Very high192 Ų19262.1 Ų62.189%0.88932%0.315SS*.THydrogen-bonded Turntrans-129.77.6-177.8-5698.6000113.8L437L437-H439 PolarHBondContact O-N 3.45Å
440A84.8Confident91Very high49 Ų4962.6 Ų62.641%0.40532%0.317SS..EExtended strand (participates in β ladder)trans-155.9170.8-175.100000111L437L437-A440 CarbonylContact C-O 3.55Å; L437-A440 WeakPolarHBondContact CA-O 3.36Å; L437-A440 HydrophobicContact CB-CB 4.37Å; L437-A440 WeakPolarHBondContact CB-O 3.41Å; L437-A440 HydrophobicContact CD1-CB 4.43Å; L437-A440 PolarHBondContact N-O 3.3Å; L437-A440 PolarHBondContact O-N 3.5Å
441Y91.2Very high90.9Very high81 Ų8169.1 Ų69.132%0.31834%0.339SS..EExtended strand (participates in β ladder)trans-128.7152.4167.561.6-92.1000109.3V400 V401 I402 N403 W434 E435V400-Y441 HydrophobicContact CG1-CD1 4.09Å; V401-Y441 VanDerWaalsContact O-CE1 3.25Å; V401-Y441 WeakPolarHBondContact O-CE1 3.23Å; I402-Y441 HydrophobicContact CB-CD2 4.47Å; I402-Y441 HydrophobicContact CB-CE2 4.32Å; I402-Y441 HydrophobicContact CG1-CD1 4.07Å; I402-Y441 HydrophobicContact CG1-CD2 4.14Å; I402-Y441 HydrophobicContact CG1-CE1 4.38Å; I402-Y441 HydrophobicContact CG1-CE2 4.45Å; I402-Y441 HydrophobicContact CG1-CG 3.93Å; I402-Y441 HydrophobicContact CG2-CD2 3.95Å; I402-Y441 HydrophobicContact CG2-CE2 3.69Å; N403-Y441 PolarHBondContact N-OH 2.67Å; W434-Y441 AromaticContact CE3-CD2 3.84Å; W434-Y441 HydrophobicContact CE3-CD2 3.84Å; W434-Y441 HydrophobicContact CE3-CE2 4.34Å; W434-Y441 AromaticContact CZ3-CD2 3.87Å; W434-Y441 HydrophobicContact CZ3-CD2 3.87Å; W434-Y441 AromaticContact CZ3-CE2 3.92Å; W434-Y441 HydrophobicContact CZ3-CE2 3.92Å; E435-Y441 CarbonylContact O-C 3.56Å; E435-Y441 VanDerWaalsContact O-CA 3.29Å; E435-Y441 WeakPolarHBondContact O-CA 3.36Å
442K93Very high90.8Very high120 Ų12074 Ų7452%0.52236%0.361SS..EExtended strand (participates in β ladder)trans-132.9136.8176.8-177.5-178.5175.5-174.80109.6W434 E435 L444W434-K442 CarbonylContact C-O 3.59Å; W434-K442 WeakPolarHBondContact CA-O 3.49Å; E435-K442 PolarHBondContact N-O 2.66Å; E435-K442 PolarHBondContact O-N 3.01Å; K442-L444 PolarHBondContact O-N 2.87Å
443I94.4Very high90.7Very high66 Ų6675.7 Ų75.734%0.33837%0.373SS..EExtended strand (participates in β ladder)trans-76.1119.4167.2-166.8167.4000109.4H432 W434 I446H432-I443 HydrophobicContact CB-CD1 4.4Å; H432-I443 WeakPolarHBondContact CD2-CD1 3.35Å; W434-I443 HydrophobicContact CE3-CB 3.89Å; W434-I443 HydrophobicContact CE3-CG1 4.33Å; W434-I443 HydrophobicContact CH2-CB 4.25Å; W434-I443 HydrophobicContact CH2-CD1 4.02Å; W434-I443 HydrophobicContact CH2-CG1 4.39Å; W434-I443 HydrophobicContact CZ2-CD1 4.28Å; W434-I443 HydrophobicContact CZ3-CB 3.68Å; W434-I443 HydrophobicContact CZ3-CD1 4.31Å; W434-I443 HydrophobicContact CZ3-CG1 4.22Å; I443-I446 HydrophobicContact CD1-CD1 3.85Å; I443-I446 HydrophobicContact CD1-CG1 3.44Å; I443-I446 VanDerWaalsContact CD1-CG1 3.44Å; I443-I446 HydrophobicContact CG1-CG1 4.37Å
444L92.6Very high90.7Very high31 Ų3175.7 Ų75.716%0.16237%0.373CS..EExtended strand (participates in β ladder)trans-79-54.7175.2-70178.4000109.8V433 E435 K442 F483V433-L444 HydrophobicContact CB-CB 4.45Å; V433-L444 HydrophobicContact CG1-CB 4.47Å; V433-L444 HydrophobicContact CG1-CD1 4.22Å; V433-L444 PolarHBondContact O-N 3Å; E435-L444 HydrophobicContact CB-CD1 3.97Å; E435-L444 HydrophobicContact CB-CD2 4.08Å; E435-L444 HydrophobicContact CB-CG 3.85Å; K442-L444 PolarHBondContact O-N 2.87Å; L444-F483 HydrophobicContact CB-CZ 4.41Å; L444-F483 HydrophobicContact CD1-CZ 4.49Å
445R94.4Very high90.6Very high150 Ų15076.2 Ų76.257%0.56638%0.379SS*.EExtended strand (participates in β ladder)trans-151.4155.3-177.5-72-60.7179.7-106.86.7112.7V433 F483V433-R445 PolarHBondContact N-O 3.26Å; R445-F483 HydrophobicContact CB-CB 4.1Å; R445-F483 HydrophobicContact CB-CD1 3.78Å; R445-F483 HydrophobicContact CB-CD2 4.44Å; R445-F483 HydrophobicContact CB-CE1 4.27Å; R445-F483 HydrophobicContact CB-CG 3.86Å; R445-F483 HydrophobicContact CG-CB 3.83Å; R445-F483 HydrophobicContact CG-CD1 3.8Å; R445-F483 HydrophobicContact CG-CD2 3.55Å; R445-F483 HydrophobicContact CG-CE1 4.2Å; R445-F483 HydrophobicContact CG-CE2 3.96Å; R445-F483 HydrophobicContact CG-CG 3.45Å; R445-F483 VanDerWaalsContact CG-CG 3.45Å; R445-F483 HydrophobicContact CG-CZ 4.26Å
446I94.4Very high90.7Very high91 Ų9174.4 Ų74.447%0.46737%0.372SS..EExtended strand (participates in β ladder)trans-112.7120168.3-59.4171.5000106.8K430 M431 I443 V448K430-I446 HydrophobicContact CB-CG2 4.49Å; K430-I446 HydrophobicContact CD-CG2 4.34Å; M431-I446 CarbonylContact O-C 3.55Å; M431-I446 WeakPolarHBondContact O-CA 3.25Å; I443-I446 HydrophobicContact CD1-CD1 3.85Å; I443-I446 HydrophobicContact CD1-CG1 3.44Å; I443-I446 VanDerWaalsContact CD1-CG1 3.44Å; I443-I446 HydrophobicContact CG1-CG1 4.37Å; I446-V448 HydrophobicContact CG2-CG2 4.2Å
447M93.4Very high90.9Very high6 Ų673.6 Ų73.63%0.0337%0.368CS..EExtended strand (participates in β ladder)trans-106.1126.9-177.9-60.616373.300108M431 V433 W478 F483M431-M447 HydrophobicContact CB-CB 3.88Å; M431-M447 PolarHBondContact N-O 2.59Å; M431-M447 PolarHBondContact O-N 2.81Å; V433-M447 HydrophobicContact CG2-SD 3.62Å; M447-W478 HydrophobicContact CB-CE3 4.22Å; M447-W478 HydrophobicContact CB-CH2 4.22Å; M447-W478 HydrophobicContact CB-CZ3 3.92Å; M447-W478 HydrophobicContact CE-CB 3.51Å; M447-W478 HydrophobicContact CE-CD2 3.5Å; M447-W478 HydrophobicContact CE-CE3 3.18Å; M447-W478 HydrophobicContact CE-CG 3.68Å; M447-W478 HydrophobicContact CE-CZ3 4.01Å; M447-F483 HydrophobicContact CG-CB 4.35Å; M447-F483 HydrophobicContact SD-CB 4.37Å; M447-F483 HydrophobicContact SD-CD1 4.06Å
448V92.6Very high91.3Very high95 Ų9572.2 Ų72.258%0.57636%0.359SS*.EExtended strand (participates in β ladder)trans-119.4123.1-174.1-175.60000108.5K430 I446K430-V448 HydrophobicContact CG-CG2 4.35Å; I446-V448 HydrophobicContact CG2-CG2 4.2Å
449G86.9Confident92Very high24 Ų2468 Ų6825%0.24733%0.329CS..  trans-158-42.9-177.900000112.9
450H93.4Very high92.7Very high9 Ų960.4 Ų60.44%0.04229%0.294CS..  trans-84.4150178-66.2-65.4000112.3G429 T468 S470 D472 F474G429-H450 WeakPolarHBondContact O-CB 3.4Å; H450-T468 PolarHBondContact CD2-OG1 3.11Å; H450-T468 PolarHBondContact NE2-OG1 3.3Å; H450-S470 WeakPolarHBondContact ND1-CB 3.26Å; H450-D472 WeakPolarHBondContact CA-OD2 3.44Å; H450-D472 WeakPolarHBondContact CB-OD2 3.44Å; H450-D472 IonicContact CE1-OD1 2.73Å; H450-D472 IonicContact CG-OD2 2.77Å; H450-D472 IonicContact ND1-OD1 3.84Å; H450-D472 PolarHBondContact ND1-OD1 3.14Å; H450-D472 IonicContact ND1-OD2 3.2Å; H450-D472 PolarHBondContact ND1-OD2 2.95Å; H450-D472 VanDerWaalsContact ND1-OD2 3.07Å; H450-F474 PolarHBondContact CE1-O 2.93Å; H450-F474 VanDerWaalsContact CE1-O 3.3Å
451R92.2Very high92.9Very high229 Ų22961 Ų6186%0.86430%0.295SS*.SBendtrans-104.7-10.9176.5-63.4-174.6-176.9-130.22.4113.3D472R451-D472 PolarHBondContact N-OD2 3.48Å
452K93.6Very high92.7Very high104 Ų10460 Ų6045%0.45230%0.295SS..SBendtrans-128.2171.5-178-79-174.4175.2-1770109.7G429 V454 S470 S471 D472G429-K452 WeakPolarHBondContact CA-O 3.2Å; K452-V454 PolarHBondContact O-N 2.89Å; K452-S470 PolarHBondContact O-OG 3.1Å; K452-S471 WeakPolarHBondContact CD-O 3.41Å; K452-S471 PolarHBondContact NZ-O 3.04Å; K452-D472 HydrophobicContact CB-CB 4Å; K452-D472 HydrophobicContact CD-CB 4.23Å; K452-D472 HydrophobicContact CG-CB 4.24Å
453P93.8Very high92.5Very high54 Ų5456 Ų5635%0.35128%0.28SS..  trans-51.6137.9178.8-27.633.3000112.5G427 S455 S470 S471G427-P453 VanDerWaalsContact O-CA 3.27Å; G427-P453 WeakPolarHBondContact O-CA 3.46Å; G427-P453 WeakPolarHBondContact O-CD 3.1Å; G427-P453 VanDerWaalsContact O-CG 3.27Å; G427-P453 WeakPolarHBondContact O-CG 3.24Å; P453-S455 PolarHBondContact O-N 2.94Å; P453-S470 WeakPolarHBondContact O-CA 3.42Å; P453-S470 WeakPolarHBondContact O-CB 3.35Å; P453-S470 PolarHBondContact O-OG 2.81Å; P453-S471 PolarHBondContact O-N 2.9Å
454V95.5Very high92.4Very high0 Ų058.9 Ų58.90%029%0.29CS..EExtended strand (participates in β ladder)trans-74.9115.5172.4-178.40000107.8T411 A412 G426 M431 K452 T468 V469T411-V454 VanDerWaalsContact CB-O 3.29Å; T411-V454 WeakPolarHBondContact CB-O 3.1Å; T411-V454 PolarHBondContact OG1-O 2.95Å; A412-V454 HydrophobicContact CB-CG1 4.24Å; G426-V454 PolarHBondContact O-N 3.19Å; M431-V454 HydrophobicContact SD-CG1 4.15Å; M431-V454 HydrophobicContact SD-CG2 3.97Å; K452-V454 PolarHBondContact O-N 2.89Å; V454-T468 HydrophobicContact CG1-CG2 4.49Å; V454-V469 CarbonylContact C-O 3.58Å
455S93.4Very high92.4Very high28 Ų2857.7 Ų57.720%0.19628%0.283CS..EExtended strand (participates in β ladder)trans-76.8-40-175.4-52.20000111.9P453 V469 S471 F495 R496P453-S455 PolarHBondContact O-N 2.94Å; S455-V469 PolarHBondContact N-O 2.95Å; S455-S471 PolarHBondContact OG-N 3.03Å; S455-S471 PolarHBondContact OG-OG 3.1Å; S455-F495 WeakPolarHBondContact CB-O 3.32Å; S455-F495 PolarHBondContact OG-O 3.08Å; S455-R496 VanDerWaalsContact CB-O 3.25Å; S455-R496 WeakPolarHBondContact CB-O 3.46Å
456C93.8Very high92.4Very high17 Ų1750.6 Ų50.612%0.11526%0.256CS..EExtended strand (participates in β ladder)trans-153.2152.6-177.9-175.20000110.5V469 T497 V498C456-V469 HydrophobicContact CB-CG2 3.63Å; C456-V469 PolarHBondContact N-O 3.01Å; C456-V469 PolarHBondContact O-N 3.14Å; C456-V469 VanDerWaalsContact O-N 3.09Å; C456-T497 PolarHBondContact SG-OG1 3.02Å; C456-V498 HydrophobicContact CB-CG1 4.46Å
457L95.1Very high92.4Very high3 Ų346.2 Ų46.22%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-137.1135.5177.8-175147000109.8A412 A414 I423 M431 M459 V467 T468A412-L457 HydrophobicContact CB-CB 3.83Å; A414-L457 HydrophobicContact CB-CD2 3.23Å; I423-L457 HydrophobicContact CB-CD1 4.36Å; I423-L457 HydrophobicContact CB-CD2 4.5Å; I423-L457 HydrophobicContact CG2-CD1 3.5Å; I423-L457 HydrophobicContact CG2-CD2 4.38Å; M431-L457 HydrophobicContact CE-CD1 3.05Å; M431-L457 HydrophobicContact SD-CD1 3.87Å; L457-M459 HydrophobicContact CD2-SD 4.49Å; L457-V467 WeakPolarHBondContact CA-O 3.34Å; L457-T468 HydrophobicContact CD1-CG2 3.81Å; L457-T468 HydrophobicContact CG-CG2 4.12Å
458K93.8Very high92.5Very high47 Ų4746 Ų4620%0.20423%0.233CC..EExtended strand (participates in β ladder)trans-136.7143.3171.8-65.8-63.5170-166.30112.2C466 V467 V498 Y500K458-C466 WeakPolarHBondContact O-CA 3.48Å; K458-V467 HydrophobicContact CB-CG1 3.99Å; K458-V467 PolarHBondContact N-O 3.49Å; K458-V467 PolarHBondContact O-N 2.89Å; K458-V498 HydrophobicContact CG-CG1 4.48Å; K458-V498 VanDerWaalsContact CG-O 3.23Å; K458-V498 WeakPolarHBondContact CG-O 3.24Å; K458-Y500 HydrophobicContact CB-CD2 4.31Å
459M93.5Very high92.6Very high32 Ų3241.4 Ų41.416%0.15821%0.205CC..EExtended strand (participates in β ladder)trans-87.8143.2173.8-66.3-57.8-64.500110.6A414 T416 I423 L457 C466 L480A414-M459 HydrophobicContact CB-CG 3.73Å; T416-M459 HydrophobicContact CG2-CE 3.82Å; I423-M459 HydrophobicContact CD1-CE 3.63Å; I423-M459 HydrophobicContact CD1-SD 3.2Å; I423-M459 WeakPolarHBondContact CD1-SD 3.17Å; L457-M459 HydrophobicContact CD2-SD 4.49Å; M459-C466 HydrophobicContact CE-CB 4.41Å; M459-C466 HydrophobicContact SD-CB 3.51Å; M459-C466 VanDerWaalsContact SD-CB 3.51Å; M459-L480 HydrophobicContact CE-CD1 3.25Å; M459-L480 HydrophobicContact SD-CD1 4.06Å
460K92.2Very high93Very high33 Ų3340.3 Ų40.314%0.14319%0.193CC..  trans-73.9156.4165.9-170.9176.1171.7-1540109.9D462 D463 E465 Y500K460-D462 WeakPolarHBondContact CB-OD1 3.29Å; K460-D462 WeakPolarHBondContact CD-OD1 3.24Å; K460-D462 VanDerWaalsContact CE-OD2 3.25Å; K460-D462 WeakPolarHBondContact CE-OD2 3.38Å; K460-D462 WeakPolarHBondContact CG-OD1 3.47Å; K460-D462 IonicContact NZ-OD2 2.68Å; K460-D462 PolarHBondContact NZ-OD2 2.83Å; K460-D462 PolarHBondContact O-N 3.19Å; K460-D462 VanDerWaalsContact O-N 3.1Å; K460-D463 PolarHBondContact O-N 3.14Å; K460-E465 HydrophobicContact CB-CB 4.19Å; K460-E465 VanDerWaalsContact CB-O 3.32Å; K460-E465 WeakPolarHBondContact CB-O 3.33Å; K460-E465 HydrophobicContact CD-CB 3.96Å; K460-E465 HydrophobicContact CD-CG 4.42Å; K460-E465 WeakPolarHBondContact CD-OE2 3.32Å; K460-E465 WeakPolarHBondContact CE-OE2 3.23Å; K460-E465 PolarHBondContact N-O 3.48Å; K460-E465 IonicContact NZ-OE2 3.93Å; K460-E465 PolarHBondContact NZ-OE2 2.8Å; K460-Y500 HydrophobicContact CB-CD2 4.34Å; K460-Y500 HydrophobicContact CB-CE1 4.33Å; K460-Y500 HydrophobicContact CB-CE2 4.07Å; K460-Y500 HydrophobicContact CD-CE1 4.41Å; K460-Y500 HydrophobicContact CG-CD1 4.42Å; K460-Y500 HydrophobicContact CG-CE1 4.37Å
461S87.3Confident92.8Very high60 Ų6041.3 Ų41.342%0.4220%0.202SC..THydrogen-bonded Turntrans-62-16.1-178.958.20000114.7K417K417-S461 WeakPolarHBondContact CE-O 3.42Å; K417-S461 PolarHBondContact NZ-O 2.89Å
462D87.4Confident92.8Very high62 Ų6232 Ų3233%0.33217%0.169SC..THydrogen-bonded Turntrans-97.3-0.5-179.564.37.1000114.5K460 K464K460-D462 WeakPolarHBondContact CB-OD1 3.29Å; K460-D462 WeakPolarHBondContact CD-OD1 3.24Å; K460-D462 VanDerWaalsContact CE-OD2 3.25Å; K460-D462 WeakPolarHBondContact CE-OD2 3.38Å; K460-D462 WeakPolarHBondContact CG-OD1 3.47Å; K460-D462 IonicContact NZ-OD2 2.68Å; K460-D462 PolarHBondContact NZ-OD2 2.83Å; K460-D462 PolarHBondContact O-N 3.19Å; K460-D462 VanDerWaalsContact O-N 3.1Å; D462-K464 PolarHBondContact O-N 3.4Å; D462-K464 PolarHBondContact OD1-N 2.84Å
463D89.9Confident92.6Very high36 Ų3627.2 Ų27.219%0.19315%0.149CC..SBendtrans56.97.8-173.2-68.6-30.2000115.7T416 K417 K460 L480T416-D463 HydrophobicContact CG2-CB 4.33Å; K417-D463 WeakPolarHBondContact CA-OD2 3.33Å; K417-D463 WeakPolarHBondContact CB-OD2 3.08Å; K417-D463 VanDerWaalsContact N-CG 3.31Å; K417-D463 PolarHBondContact N-OD1 3.22Å; K417-D463 PolarHBondContact N-OD2 2.82Å; K460-D463 PolarHBondContact O-N 3.14Å; D463-L480 WeakPolarHBondContact O-CD1 3.4Å
464K90.6Very high92.6Very high126 Ų12627.6 Ų27.655%0.54815%0.146SC..SBendtrans-91.2-26.6-178.9-66.6-178.8-177.3179.70112.7D462 L480 V481D462-K464 PolarHBondContact O-N 3.4Å; D462-K464 PolarHBondContact OD1-N 2.84Å; K464-L480 WeakPolarHBondContact O-CB 3.25Å; K464-L480 PolarHBondContact O-N 2.52Å; K464-V481 HydrophobicContact CG-CG2 4.47Å
465E92.8Very high92.6Very high5 Ų527.6 Ų27.62%0.02315%0.146CC..EExtended strand (participates in β ladder)trans-126.6150.1-178.9-62.3174.614200110.9K460 W478 R486K460-E465 HydrophobicContact CB-CB 4.19Å; K460-E465 VanDerWaalsContact CB-O 3.32Å; K460-E465 WeakPolarHBondContact CB-O 3.33Å; K460-E465 HydrophobicContact CD-CB 3.96Å; K460-E465 HydrophobicContact CD-CG 4.42Å; K460-E465 WeakPolarHBondContact CD-OE2 3.32Å; K460-E465 WeakPolarHBondContact CE-OE2 3.23Å; K460-E465 PolarHBondContact N-O 3.48Å; K460-E465 IonicContact NZ-OE2 3.93Å; K460-E465 PolarHBondContact NZ-OE2 2.8Å; E465-W478 WeakPolarHBondContact CA-O 3.45Å; E465-R486 WeakPolarHBondContact OE1-CD 3.34Å; E465-R486 IonicContact OE1-CZ 3.07Å; E465-R486 IonicContact OE1-NE 3.94Å; E465-R486 IonicContact OE1-NH1 3.6Å; E465-R486 PolarHBondContact OE1-NH1 3.35Å
466C94.3Very high92.7Very high1 Ų126.3 Ų26.31%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-133.7154.6166.874.30000111K458 M459 W478 L480K458-C466 WeakPolarHBondContact O-CA 3.48Å; M459-C466 HydrophobicContact CE-CB 4.41Å; M459-C466 HydrophobicContact SD-CB 3.51Å; M459-C466 VanDerWaalsContact SD-CB 3.51Å; C466-W478 PolarHBondContact N-O 3.04Å; C466-W478 PolarHBondContact O-N 2.99Å; C466-L480 HydrophobicContact CB-CD1 4.14Å
467V95.4Very high92.7Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-116.4136.9176.667.50000109.6L457 K458 C475 I476 I477 V498 Y500 I507L457-V467 WeakPolarHBondContact CA-O 3.34Å; K458-V467 HydrophobicContact CB-CG1 3.99Å; K458-V467 PolarHBondContact N-O 3.49Å; K458-V467 PolarHBondContact O-N 2.89Å; V467-C475 VanDerWaalsContact CG2-SG 3.5Å; V467-I476 WeakPolarHBondContact CA-O 3.25Å; V467-I477 HydrophobicContact CG2-CG1 4.22Å; V467-V498 HydrophobicContact CB-CG2 4.4Å; V467-V498 HydrophobicContact CG1-CB 4.34Å; V467-V498 HydrophobicContact CG1-CG1 3.69Å; V467-V498 HydrophobicContact CG1-CG2 3.66Å; V467-V498 HydrophobicContact CG2-CG1 4.41Å; V467-V498 HydrophobicContact CG2-CG2 3.81Å; V467-Y500 HydrophobicContact CB-CE2 3.64Å; V467-Y500 HydrophobicContact CG1-CD2 3.78Å; V467-Y500 HydrophobicContact CG1-CE2 3.29Å; V467-I507 HydrophobicContact CG2-CD1 4.1Å
468T95.7Very high92.7Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-126.6140.6176.163.70000109.8M431 H450 V454 L457 C475 I476 W478M431-T468 HydrophobicContact CE-CG2 4.2Å; M431-T468 HydrophobicContact CG-CG2 4.14Å; M431-T468 HydrophobicContact SD-CG2 3.7Å; H450-T468 PolarHBondContact CD2-OG1 3.11Å; H450-T468 PolarHBondContact NE2-OG1 3.3Å; V454-T468 HydrophobicContact CG1-CG2 4.49Å; L457-T468 HydrophobicContact CD1-CG2 3.81Å; L457-T468 HydrophobicContact CG-CG2 4.12Å; T468-C475 CarbonylContact O-C 3.58Å; T468-C475 WeakPolarHBondContact O-CA 3.37Å; T468-I476 PolarHBondContact N-O 3.23Å; T468-I476 PolarHBondContact O-N 3.16Å; T468-W478 PolarHBondContact OG1-NE1 3.38Å
469V94.9Very high92.7Very high0 Ų024.8 Ų24.80%013%0.129CC..EExtended strand (participates in β ladder)trans-123.1147.1172.2-720000110.1V454 S455 C456 C475 F495 V498V454-V469 CarbonylContact C-O 3.58Å; S455-V469 PolarHBondContact N-O 2.95Å; C456-V469 HydrophobicContact CB-CG2 3.63Å; C456-V469 PolarHBondContact N-O 3.01Å; C456-V469 PolarHBondContact O-N 3.14Å; C456-V469 VanDerWaalsContact O-N 3.09Å; V469-C475 HydrophobicContact CG1-CB 3.84Å; V469-F495 HydrophobicContact CB-CB 3.65Å; V469-F495 HydrophobicContact CB-CG 4.44Å; V469-F495 HydrophobicContact CG1-CB 3.93Å; V469-F495 HydrophobicContact CG1-CG 4.23Å; V469-F495 HydrophobicContact CG2-CB 4.36Å; V469-V498 HydrophobicContact CB-CG1 4.43Å; V469-V498 HydrophobicContact CG1-CB 3.7Å; V469-V498 HydrophobicContact CG1-CG1 3.91Å; V469-V498 HydrophobicContact CG1-CG2 4.31Å; V469-V498 HydrophobicContact CG2-CB 4.11Å; V469-V498 HydrophobicContact CG2-CG1 3.78Å
470S94Very high92.6Very high0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-138.7160.5-178.3176.80000111.6H450 K452 P453 D472 G473 F474H450-S470 WeakPolarHBondContact ND1-CB 3.26Å; K452-S470 PolarHBondContact O-OG 3.1Å; P453-S470 WeakPolarHBondContact O-CA 3.42Å; P453-S470 WeakPolarHBondContact O-CB 3.35Å; P453-S470 PolarHBondContact O-OG 2.81Å; S470-D472 VanDerWaalsContact CB-OD1 3.27Å; S470-D472 WeakPolarHBondContact CB-OD1 3.43Å; S470-D472 PolarHBondContact O-N 2.76Å; S470-D472 PolarHBondContact OG-N 2.81Å; S470-G473 PolarHBondContact O-N 2.91Å; S470-F474 PolarHBondContact N-O 2.82Å
471S90.6Very high92.5Very high31 Ų3126.3 Ų26.322%0.21714%0.143CC..THydrogen-bonded Turntrans-69.18.3171-55.60000113.5K452 P453 S455 L494K452-S471 WeakPolarHBondContact CD-O 3.41Å; K452-S471 PolarHBondContact NZ-O 3.04Å; P453-S471 PolarHBondContact O-N 2.9Å; S455-S471 PolarHBondContact OG-N 3.03Å; S455-S471 PolarHBondContact OG-OG 3.1Å; S471-L494 WeakPolarHBondContact O-CD2 3.5Å
472D91.4Very high92.5Very high32 Ų3228.4 Ų28.417%0.17115%0.149CC..THydrogen-bonded Turntrans-88.2-2.9168.661.113.1000113.8H450 R451 K452 S470 F474H450-D472 WeakPolarHBondContact CA-OD2 3.44Å; H450-D472 WeakPolarHBondContact CB-OD2 3.44Å; H450-D472 IonicContact CE1-OD1 2.73Å; H450-D472 IonicContact CG-OD2 2.77Å; H450-D472 IonicContact ND1-OD1 3.84Å; H450-D472 PolarHBondContact ND1-OD1 3.14Å; H450-D472 IonicContact ND1-OD2 3.2Å; H450-D472 PolarHBondContact ND1-OD2 2.95Å; H450-D472 VanDerWaalsContact ND1-OD2 3.07Å; R451-D472 PolarHBondContact N-OD2 3.48Å; K452-D472 HydrophobicContact CB-CB 4Å; K452-D472 HydrophobicContact CD-CB 4.23Å; K452-D472 HydrophobicContact CG-CB 4.24Å; S470-D472 VanDerWaalsContact CB-OD1 3.27Å; S470-D472 WeakPolarHBondContact CB-OD1 3.43Å; S470-D472 PolarHBondContact O-N 2.76Å; S470-D472 PolarHBondContact OG-N 2.81Å; D472-F474 VanDerWaalsContact C-N 3.34Å; D472-F474 HydrophobicContact CB-CD2 4.12Å; D472-F474 WeakPolarHBondContact OD1-CB 2.97Å; D472-F474 PolarHBondContact OD1-N 3.04Å
473G90.1Very high92.7Very high4 Ų427.4 Ų27.44%0.04114%0.142CC..SBendtrans81.413.1-178.400000114.1S470 T491 T493S470-G473 PolarHBondContact O-N 2.91Å; G473-T491 PolarHBondContact O-N 3.3Å; G473-T493 WeakPolarHBondContact CA-O 3.49Å
474F93.6Very high92.7Very high63 Ų6331.7 Ų31.728%0.27616%0.16SC..EExtended strand (participates in β ladder)trans-102.6139172.3-66.7-90.9000111.5H450 S470 D472 I476 I489 K490H450-F474 PolarHBondContact CE1-O 2.93Å; H450-F474 VanDerWaalsContact CE1-O 3.3Å; S470-F474 PolarHBondContact N-O 2.82Å; D472-F474 VanDerWaalsContact C-N 3.34Å; D472-F474 HydrophobicContact CB-CD2 4.12Å; D472-F474 WeakPolarHBondContact OD1-CB 2.97Å; D472-F474 PolarHBondContact OD1-N 3.04Å; F474-I476 HydrophobicContact CB-CG1 4.2Å; F474-I489 WeakPolarHBondContact CA-O 3.38Å; F474-K490 HydrophobicContact CD1-CB 4.01Å; F474-K490 HydrophobicContact CD1-CG 4.25Å; F474-K490 HydrophobicContact CE1-CB 3.73Å; F474-K490 HydrophobicContact CE1-CD 3.97Å; F474-K490 HydrophobicContact CE1-CG 3.76Å; F474-K490 HydrophobicContact CZ-CB 4.42Å; F474-K490 HydrophobicContact CZ-CD 3.86Å; F474-K490 HydrophobicContact CZ-CG 3.94Å
475C94.8Very high92.7Very high0 Ų028 Ų280%015%0.149CC..EExtended strand (participates in β ladder)trans-110.8120.4160.5178.10000107.1V467 T468 V469 I489 F495V467-C475 VanDerWaalsContact CG2-SG 3.5Å; T468-C475 CarbonylContact O-C 3.58Å; T468-C475 WeakPolarHBondContact O-CA 3.37Å; V469-C475 HydrophobicContact CG1-CB 3.84Å; C475-I489 HydrophobicContact CB-CB 4.17Å; C475-I489 PolarHBondContact N-O 3.27Å; C475-I489 PolarHBondContact O-N 3.24Å; C475-F495 HydrophobicContact CB-CD2 4.3Å; C475-F495 HydrophobicContact CB-CE2 4.13Å
476I95.1Very high92.6Very high1 Ų133.6 Ų33.61%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-117.2127.3-176.2-54.1178.9000108.9V467 T468 F474 W478 P485 Q487 K488V467-I476 WeakPolarHBondContact CA-O 3.25Å; T468-I476 PolarHBondContact N-O 3.23Å; T468-I476 PolarHBondContact O-N 3.16Å; F474-I476 HydrophobicContact CB-CG1 4.2Å; I476-W478 HydrophobicContact CB-CZ2 4.1Å; I476-W478 HydrophobicContact CD1-CZ2 3.92Å; I476-W478 HydrophobicContact CG2-CD2 3.77Å; I476-W478 HydrophobicContact CG2-CE3 4.32Å; I476-W478 HydrophobicContact CG2-CG 4.22Å; I476-W478 HydrophobicContact CG2-CH2 4.22Å; I476-W478 HydrophobicContact CG2-CZ2 3.62Å; I476-P485 HydrophobicContact CG2-CB 3.75Å; I476-Q487 WeakPolarHBondContact CA-O 3.12Å; I476-K488 HydrophobicContact CD1-CG 4.46Å; I476-K488 HydrophobicContact CG1-CG 4.15Å; I476-K488 HydrophobicContact CG2-CG 4.13Å
477I95.3Very high92.4Very high0 Ų036.3 Ų36.30%018%0.183CC..EExtended strand (participates in β ladder)trans-96.9124171.1-54.1178.1000107.3V467 R486 Q487 I507 V521V467-I477 HydrophobicContact CG2-CG1 4.22Å; I477-R486 PolarHBondContact O-N 3.05Å; I477-Q487 HydrophobicContact CB-CB 4.23Å; I477-Q487 HydrophobicContact CD1-CB 4.32Å; I477-Q487 HydrophobicContact CG1-CB 4.48Å; I477-Q487 PolarHBondContact N-O 3.1Å; I477-Q487 PolarHBondContact O-N 3.21Å; I477-I507 HydrophobicContact CD1-CD1 4.17Å; I477-I507 HydrophobicContact CG1-CD1 4.47Å; I477-V521 HydrophobicContact CD1-CB 4.25Å; I477-V521 HydrophobicContact CD1-CG1 4.02Å; I477-V521 HydrophobicContact CD1-CG2 4.26Å
478W94.6Very high92.3Very high3 Ų341.5 Ų41.51%0.01121%0.206CC..EExtended strand (participates in β ladder)trans-111.2141-174.9-60.895.8000110.9M447 E465 C466 T468 I476 P485M447-W478 HydrophobicContact CB-CE3 4.22Å; M447-W478 HydrophobicContact CB-CH2 4.22Å; M447-W478 HydrophobicContact CB-CZ3 3.92Å; M447-W478 HydrophobicContact CE-CB 3.51Å; M447-W478 HydrophobicContact CE-CD2 3.5Å; M447-W478 HydrophobicContact CE-CE3 3.18Å; M447-W478 HydrophobicContact CE-CG 3.68Å; M447-W478 HydrophobicContact CE-CZ3 4.01Å; E465-W478 WeakPolarHBondContact CA-O 3.45Å; C466-W478 PolarHBondContact N-O 3.04Å; C466-W478 PolarHBondContact O-N 2.99Å; T468-W478 PolarHBondContact OG1-NE1 3.38Å; I476-W478 HydrophobicContact CB-CZ2 4.1Å; I476-W478 HydrophobicContact CD1-CZ2 3.92Å; I476-W478 HydrophobicContact CG2-CD2 3.77Å; I476-W478 HydrophobicContact CG2-CE3 4.32Å; I476-W478 HydrophobicContact CG2-CG 4.22Å; I476-W478 HydrophobicContact CG2-CH2 4.22Å; I476-W478 HydrophobicContact CG2-CZ2 3.62Å; W478-P485 HydrophobicContact CD2-CB 4.44Å; W478-P485 HydrophobicContact CE3-CB 3.74Å; W478-P485 HydrophobicContact CE3-CG 4.4Å; W478-P485 HydrophobicContact CH2-CB 4.21Å; W478-P485 HydrophobicContact CZ3-CB 3.63Å; W478-P485 HydrophobicContact CZ3-CG 3.94Å
479D93.2Very high92.2Very high32 Ų3241.8 Ų41.817%0.17121%0.207CC..EExtended strand (participates in β ladder)trans-89.1127.3166-165.2-36.3000109.3V481 D482 F483 H484D479-V481 WeakPolarHBondContact OD1-CA 3.21Å; D479-V481 VanDerWaalsContact OD1-CB 3.29Å; D479-V481 WeakPolarHBondContact OD1-CB 3.27Å; D479-V481 PolarHBondContact OD1-N 3.11Å; D479-D482 PolarHBondContact OD1-N 3.1Å; D479-F483 WeakPolarHBondContact O-CA 3.35Å; D479-F483 PolarHBondContact O-N 2.91Å; D479-H484 PolarHBondContact N-O 3.42Å
480L91.1Very high92Very high4 Ų448.6 Ų48.62%0.02124%0.236CC..THydrogen-bonded Turntrans-94-3.8179.5-63.1172.1000113.5I423 V433 M459 D463 K464 C466 F483I423-L480 HydrophobicContact CD1-CD1 3.59Å; I423-L480 HydrophobicContact CD1-CD2 3.76Å; I423-L480 HydrophobicContact CD1-CG 4.35Å; I423-L480 HydrophobicContact CG1-CD2 4.39Å; V433-L480 HydrophobicContact CG2-CD2 4.24Å; M459-L480 HydrophobicContact CE-CD1 3.25Å; M459-L480 HydrophobicContact SD-CD1 4.06Å; D463-L480 WeakPolarHBondContact O-CD1 3.4Å; K464-L480 WeakPolarHBondContact O-CB 3.25Å; K464-L480 PolarHBondContact O-N 2.52Å; C466-L480 HydrophobicContact CB-CD1 4.14Å; L480-F483 WeakPolarHBondContact O-CE1 3.29Å; L480-F483 VanDerWaalsContact O-CZ 3.32Å; L480-F483 WeakPolarHBondContact O-CZ 3.37Å
481V89.9Confident91.6Very high92 Ų9250.1 Ų50.156%0.55825%0.246SC*.THydrogen-bonded Turntrans-83.8-53170-175.60000108.9K464 D479 F483K464-V481 HydrophobicContact CG-CG2 4.47Å; D479-V481 WeakPolarHBondContact OD1-CA 3.21Å; D479-V481 VanDerWaalsContact OD1-CB 3.29Å; D479-V481 WeakPolarHBondContact OD1-CB 3.27Å; D479-V481 PolarHBondContact OD1-N 3.11Å; V481-F483 WeakPolarHBondContact O-CD2 3.36Å; V481-F483 WeakPolarHBondContact O-CE2 3.4Å
482D88.7Confident91.4Very high105 Ų10556.4 Ų56.456%0.56128%0.277SS*.THydrogen-bonded Turntrans-91.9-15.9-177.7-69.4-32.2000113.4D479 H484D479-D482 PolarHBondContact OD1-N 3.1Å; D482-H484 VanDerWaalsContact C-N 3.31Å; D482-H484 PolarHBondContact O-CE1 2.98Å; D482-H484 VanDerWaalsContact O-CE1 3.25Å; D482-H484 PolarHBondContact O-N 3.3Å; D482-H484 PolarHBondContact O-ND1 2.9Å
483F90.9Very high91.1Very high41 Ų4155.2 Ų55.218%0.1827%0.271CS..  trans61.534.3-177.4-52.8-80.9000114.4V433 L444 R445 M447 D479 L480 V481V433-F483 HydrophobicContact CB-CE1 4.21Å; V433-F483 HydrophobicContact CG1-CE1 4.11Å; V433-F483 HydrophobicContact CG2-CD1 4.16Å; V433-F483 HydrophobicContact CG2-CE1 4.12Å; L444-F483 HydrophobicContact CB-CZ 4.41Å; L444-F483 HydrophobicContact CD1-CZ 4.49Å; R445-F483 HydrophobicContact CB-CB 4.1Å; R445-F483 HydrophobicContact CB-CD1 3.78Å; R445-F483 HydrophobicContact CB-CD2 4.44Å; R445-F483 HydrophobicContact CB-CE1 4.27Å; R445-F483 HydrophobicContact CB-CG 3.86Å; R445-F483 HydrophobicContact CG-CB 3.83Å; R445-F483 HydrophobicContact CG-CD1 3.8Å; R445-F483 HydrophobicContact CG-CD2 3.55Å; R445-F483 HydrophobicContact CG-CE1 4.2Å; R445-F483 HydrophobicContact CG-CE2 3.96Å; R445-F483 HydrophobicContact CG-CG 3.45Å; R445-F483 VanDerWaalsContact CG-CG 3.45Å; R445-F483 HydrophobicContact CG-CZ 4.26Å; M447-F483 HydrophobicContact CG-CB 4.35Å; M447-F483 HydrophobicContact SD-CB 4.37Å; M447-F483 HydrophobicContact SD-CD1 4.06Å; D479-F483 WeakPolarHBondContact O-CA 3.35Å; D479-F483 PolarHBondContact O-N 2.91Å; L480-F483 WeakPolarHBondContact O-CE1 3.29Å; L480-F483 VanDerWaalsContact O-CZ 3.32Å; L480-F483 WeakPolarHBondContact O-CZ 3.37Å; V481-F483 WeakPolarHBondContact O-CD2 3.36Å; V481-F483 WeakPolarHBondContact O-CE2 3.4Å
484H89.1Confident91.1Very high125 Ų12558.7 Ų58.758%0.57929%0.288SS*.SBendtrans-119.9152.8178.2-68.491.1000111.2D479 D482 R486D479-H484 PolarHBondContact N-O 3.42Å; D482-H484 VanDerWaalsContact C-N 3.31Å; D482-H484 PolarHBondContact O-CE1 2.98Å; D482-H484 VanDerWaalsContact O-CE1 3.25Å; D482-H484 PolarHBondContact O-N 3.3Å; D482-H484 PolarHBondContact O-ND1 2.9Å; H484-R486 PolarHBondContact O-N 2.85Å
485P91.6Very high90.9Very high48 Ų4855.8 Ų55.831%0.31228%0.276SS..EExtended strand (participates in β ladder)trans-71.8116.5174.528.5-29.7000108.9I476 W478 K488I476-P485 HydrophobicContact CG2-CB 3.75Å; W478-P485 HydrophobicContact CD2-CB 4.44Å; W478-P485 HydrophobicContact CE3-CB 3.74Å; W478-P485 HydrophobicContact CE3-CG 4.4Å; W478-P485 HydrophobicContact CH2-CB 4.21Å; W478-P485 HydrophobicContact CZ3-CB 3.63Å; W478-P485 HydrophobicContact CZ3-CG 3.94Å; P485-K488 HydrophobicContact CB-CG 4.4Å
486R90.4Very high90.8Very high124 Ų12462 Ų6247%0.46830%0.299SS..EExtended strand (participates in β ladder)trans-76.6-45.7178.5-175.4176.4175.6162-4.6111.1E465 I477 H484 L522E465-R486 WeakPolarHBondContact OE1-CD 3.34Å; E465-R486 IonicContact OE1-CZ 3.07Å; E465-R486 IonicContact OE1-NE 3.94Å; E465-R486 IonicContact OE1-NH1 3.6Å; E465-R486 PolarHBondContact OE1-NH1 3.35Å; I477-R486 PolarHBondContact O-N 3.05Å; H484-R486 PolarHBondContact O-N 2.85Å; R486-L522 VanDerWaalsContact NH2-CD2 3.3Å
487Q91Very high90.6Very high57 Ų5762.3 Ų62.327%0.26630%0.301SS..EExtended strand (participates in β ladder)trans-138.9140.8-179.9-170.561.81300110.8I476 I477 I489 G523I476-Q487 WeakPolarHBondContact CA-O 3.12Å; I477-Q487 HydrophobicContact CB-CB 4.23Å; I477-Q487 HydrophobicContact CD1-CB 4.32Å; I477-Q487 HydrophobicContact CG1-CB 4.48Å; I477-Q487 PolarHBondContact N-O 3.1Å; I477-Q487 PolarHBondContact O-N 3.21Å; Q487-I489 HydrophobicContact CG-CG1 4.17Å; Q487-G523 PolarHBondContact NE2-O 3.43Å
488K92.4Very high90.6Very high110 Ų11062.3 Ų62.348%0.47830%0.301SS..EExtended strand (participates in β ladder)trans-123.1112.8173.9-65.1-174.8-179.6178.50109.3I476 P485I476-K488 HydrophobicContact CD1-CG 4.46Å; I476-K488 HydrophobicContact CG1-CG 4.15Å; I476-K488 HydrophobicContact CG2-CG 4.13Å; P485-K488 HydrophobicContact CB-CG 4.4Å
489I93.1Very high90.6Very high6 Ų662.8 Ų62.83%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-100123.6178-58.1168.2000107.2F474 C475 Q487 I507 W519F474-I489 WeakPolarHBondContact CA-O 3.38Å; C475-I489 HydrophobicContact CB-CB 4.17Å; C475-I489 PolarHBondContact N-O 3.27Å; C475-I489 PolarHBondContact O-N 3.24Å; Q487-I489 HydrophobicContact CG-CG1 4.17Å; I489-I507 HydrophobicContact CD1-CD1 4.14Å; I489-W519 HydrophobicContact CD1-CB 4.04Å; I489-W519 HydrophobicContact CD1-CD2 4.09Å; I489-W519 HydrophobicContact CD1-CE3 4.13Å; I489-W519 HydrophobicContact CD1-CG 4.07Å; I489-W519 HydrophobicContact CG2-CD2 3.86Å; I489-W519 HydrophobicContact CG2-CE3 3.57Å; I489-W519 HydrophobicContact CG2-CH2 3.48Å; I489-W519 VanDerWaalsContact CG2-CH2 3.48Å; I489-W519 HydrophobicContact CG2-CZ2 3.75Å; I489-W519 HydrophobicContact CG2-CZ3 3.38Å
490K90.3Very high90.6Very high142 Ų14262.2 Ų62.262%0.61730%0.3SS*.EExtended strand (participates in β ladder)trans-110.7134.6178-173.6-173.8175-166.40109.6F474F474-K490 HydrophobicContact CD1-CB 4.01Å; F474-K490 HydrophobicContact CD1-CG 4.25Å; F474-K490 HydrophobicContact CE1-CB 3.73Å; F474-K490 HydrophobicContact CE1-CD 3.97Å; F474-K490 HydrophobicContact CE1-CG 3.76Å; F474-K490 HydrophobicContact CZ-CB 4.42Å; F474-K490 HydrophobicContact CZ-CD 3.86Å; F474-K490 HydrophobicContact CZ-CG 3.94Å
491T86.6Confident90.8Very high32 Ų3262.9 Ų62.920%0.19630%0.303CS..  trans-141.8155.9174.6-50.20000109.6G473 T493 F495G473-T491 PolarHBondContact O-N 3.3Å; T491-T493 HydrophobicContact CG2-CG2 3.78Å; T491-T493 PolarHBondContact O-N 2.85Å; T491-T493 VanDerWaalsContact O-N 3.07Å; T491-F495 HydrophobicContact CG2-CZ 4.41Å; T491-F495 WeakPolarHBondContact OG1-CZ 3.33Å
492D85.4Confident90.8Very high164 Ų16460.6 Ų60.688%0.87729%0.29SS*.SBendtrans-83.839.8178.9-61.8-29.9000112
493T86.8Confident90.8Very high7 Ų760.8 Ų60.84%0.04329%0.291CS..SBendtrans-134.8155.6177.3-174.20000110.6G473 T491 F495 T512 D513G473-T493 WeakPolarHBondContact CA-O 3.49Å; T491-T493 HydrophobicContact CG2-CG2 3.78Å; T491-T493 PolarHBondContact O-N 2.85Å; T491-T493 VanDerWaalsContact O-N 3.07Å; T493-F495 HydrophobicContact CG2-CD1 4.11Å; T493-F495 HydrophobicContact CG2-CE1 3.8Å; T493-F495 HydrophobicContact CG2-CE2 4.43Å; T493-F495 HydrophobicContact CG2-CZ 3.99Å; T493-F495 PolarHBondContact O-N 3.05Å; T493-T512 PolarHBondContact OG1-OG1 2.75Å; T493-D513 WeakPolarHBondContact OG1-CB 3.14Å; T493-D513 PolarHBondContact OG1-N 3.12Å; T493-D513 PolarHBondContact OG1-OD1 2.76Å
494L89.4Confident90.8Very high77 Ų7758.9 Ų58.940%0.40328%0.284SS..  trans-87.8104173-55.8175.3000108.4S471 R496 G511 T512S471-L494 WeakPolarHBondContact O-CD2 3.5Å; L494-R496 PolarHBondContact O-N 3.1Å; L494-G511 WeakPolarHBondContact O-CA 3.17Å; L494-T512 HydrophobicContact CB-CG2 3.89Å; L494-T512 HydrophobicContact CD1-CG2 4.28Å; L494-T512 PolarHBondContact N-OG1 2.9Å; L494-T512 PolarHBondContact O-N 2.89Å
495F89.9Confident90.9Very high2 Ų260.3 Ų60.31%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-67.1127.6176.5-68.3-64.8000110.8S455 V469 C475 T491 T493 T509 W519S455-F495 WeakPolarHBondContact CB-O 3.32Å; S455-F495 PolarHBondContact OG-O 3.08Å; V469-F495 HydrophobicContact CB-CB 3.65Å; V469-F495 HydrophobicContact CB-CG 4.44Å; V469-F495 HydrophobicContact CG1-CB 3.93Å; V469-F495 HydrophobicContact CG1-CG 4.23Å; V469-F495 HydrophobicContact CG2-CB 4.36Å; C475-F495 HydrophobicContact CB-CD2 4.3Å; C475-F495 HydrophobicContact CB-CE2 4.13Å; T491-F495 HydrophobicContact CG2-CZ 4.41Å; T491-F495 WeakPolarHBondContact OG1-CZ 3.33Å; T493-F495 HydrophobicContact CG2-CD1 4.11Å; T493-F495 HydrophobicContact CG2-CE1 3.8Å; T493-F495 HydrophobicContact CG2-CE2 4.43Å; T493-F495 HydrophobicContact CG2-CZ 3.99Å; T493-F495 PolarHBondContact O-N 3.05Å; F495-T509 HydrophobicContact CD1-CG2 4.36Å; F495-T509 HydrophobicContact CE1-CG2 4.2Å; F495-T509 WeakPolarHBondContact CE1-OG1 3.34Å; F495-W519 HydrophobicContact CZ-CZ2 4.46Å
496R91.4Very high91Very high130 Ų13060.8 Ų60.849%0.49128%0.283SS..EExtended strand (participates in β ladder)trans-98-39.2177.6-164.454.8164.4-179.5-0.7111.4S455 L494 C510 N539S455-R496 VanDerWaalsContact CB-O 3.25Å; S455-R496 WeakPolarHBondContact CB-O 3.46Å; L494-R496 PolarHBondContact O-N 3.1Å; R496-C510 PolarHBondContact N-O 2.99Å; R496-N539 WeakPolarHBondContact CG-O 3.29Å
497T92.3Very high91.2Very high8 Ų854.9 Ų54.95%0.04926%0.261CS..EExtended strand (participates in β ladder)trans-153.4165.7-177.4-1730000112.6C456 C510 I541C456-T497 PolarHBondContact SG-OG1 3.02Å; T497-C510 WeakPolarHBondContact CG2-SG 3.37Å; T497-C510 PolarHBondContact N-O 2.87Å; T497-C510 PolarHBondContact O-N 2.87Å; T497-I541 HydrophobicContact CG2-CB 4.05Å; T497-I541 HydrophobicContact CG2-CG2 3.52Å
498V94.8Very high91.4Very high0 Ų052.2 Ų52.20%025%0.248CC..EExtended strand (participates in β ladder)trans-148.9150.2-176.160.80000109.8C456 K458 V467 V469 I507 V508 T509C456-V498 HydrophobicContact CB-CG1 4.46Å; K458-V498 HydrophobicContact CG-CG1 4.48Å; K458-V498 VanDerWaalsContact CG-O 3.23Å; K458-V498 WeakPolarHBondContact CG-O 3.24Å; V467-V498 HydrophobicContact CB-CG2 4.4Å; V467-V498 HydrophobicContact CG1-CB 4.34Å; V467-V498 HydrophobicContact CG1-CG1 3.69Å; V467-V498 HydrophobicContact CG1-CG2 3.66Å; V467-V498 HydrophobicContact CG2-CG1 4.41Å; V467-V498 HydrophobicContact CG2-CG2 3.81Å; V469-V498 HydrophobicContact CB-CG1 4.43Å; V469-V498 HydrophobicContact CG1-CB 3.7Å; V469-V498 HydrophobicContact CG1-CG1 3.91Å; V469-V498 HydrophobicContact CG1-CG2 4.31Å; V469-V498 HydrophobicContact CG2-CB 4.11Å; V469-V498 HydrophobicContact CG2-CG1 3.78Å; V498-I507 HydrophobicContact CG2-CB 4.39Å; V498-I507 HydrophobicContact CG2-CD1 4.5Å; V498-V508 CarbonylContact C-O 3.58Å; V498-V508 WeakPolarHBondContact CA-O 3.15Å; V498-T509 HydrophobicContact CB-CG2 4.33Å; V498-T509 HydrophobicContact CG2-CG2 3.9Å
499C93.9Very high91.4Very high13 Ų1347 Ų479%0.08823%0.225CC..EExtended strand (participates in β ladder)trans-143.7143173-164.30000110.9I507 V508 I541 I543C499-I507 CarbonylContact O-C 3.59Å; C499-I507 WeakPolarHBondContact O-CA 3.47Å; C499-V508 PolarHBondContact N-O 3.32Å; C499-V508 PolarHBondContact O-N 3.09Å; C499-I541 HydrophobicContact CB-CG2 4.09Å; C499-I543 HydrophobicContact CB-CD1 3.88Å; C499-I543 HydrophobicContact CB-CG1 3.98Å
500Y94.4Very high91.3Very high20 Ų2046.7 Ų46.78%0.07822%0.224CC..EExtended strand (participates in β ladder)trans-81.9138.1169.7-84.2-78.7000110.4K458 K460 V467 I507 V521K458-Y500 HydrophobicContact CB-CD2 4.31Å; K460-Y500 HydrophobicContact CB-CD2 4.34Å; K460-Y500 HydrophobicContact CB-CE1 4.33Å; K460-Y500 HydrophobicContact CB-CE2 4.07Å; K460-Y500 HydrophobicContact CD-CE1 4.41Å; K460-Y500 HydrophobicContact CG-CD1 4.42Å; K460-Y500 HydrophobicContact CG-CE1 4.37Å; V467-Y500 HydrophobicContact CB-CE2 3.64Å; V467-Y500 HydrophobicContact CG1-CD2 3.78Å; V467-Y500 HydrophobicContact CG1-CE2 3.29Å; Y500-I507 HydrophobicContact CD1-CG2 3.32Å; Y500-I507 HydrophobicContact CE1-CG2 3.38Å; Y500-I507 HydrophobicContact CG-CG2 3.94Å; Y500-V521 HydrophobicContact CD1-CG2 4.46Å; Y500-V521 HydrophobicContact CE1-CG2 4Å
501H94.1Very high91.3Very high17 Ų1740 Ų408%0.07920%0.195CC..  trans-63.6143.9160.9-169.2-99.2000109.4D503 G504 Q506 G547 Y564H501-D503 VanDerWaalsContact CE1-CG 3.46Å; H501-D503 IonicContact CE1-OD1 3.97Å; H501-D503 IonicContact CE1-OD2 3.82Å; H501-D503 PolarHBondContact CE1-OD2 2.97Å; H501-D503 WeakPolarHBondContact ND1-CB 3.48Å; H501-D503 VanDerWaalsContact ND1-CG 3.35Å; H501-D503 PolarHBondContact ND1-N 2.94Å; H501-D503 IonicContact ND1-OD1 3.44Å; H501-D503 IonicContact ND1-OD2 2.72Å; H501-D503 PolarHBondContact ND1-OD2 2.79Å; H501-D503 PolarHBondContact O-N 3.06Å; H501-D503 VanDerWaalsContact O-N 3.12Å; H501-G504 WeakPolarHBondContact O-CA 3.23Å; H501-G504 PolarHBondContact O-N 3.2Å; H501-Q506 HydrophobicContact CB-CB 4.08Å; H501-Q506 WeakPolarHBondContact CB-O 3.37Å; H501-Q506 PolarHBondContact N-O 3.34Å; H501-G547 VanDerWaalsContact NE2-CA 3.34Å; H501-G547 WeakPolarHBondContact NE2-CA 3.29Å; H501-G547 PolarHBondContact NE2-O 3.33Å; H501-Y564 AromaticContact CD2-CE1 3.64Å; H501-Y564 AromaticContact CD2-CE2 3.53Å; H501-Y564 AromaticContact CD2-CZ 3.32Å; H501-Y564 AromaticContact CG-CZ 4Å; H501-Y564 AromaticContact NE2-CE1 3.86Å
502P90.3Very high91.4Very high45 Ų4541.7 Ų41.729%0.29221%0.205SC..THydrogen-bonded Turntrans-53.8-32.6-179.8-30.838000114.8G504 T544 K545P502-G504 PolarHBondContact O-N 3.25Å; P502-T544 VanDerWaalsContact CG-O 3.24Å; P502-T544 WeakPolarHBondContact CG-O 3.42Å; P502-K545 WeakPolarHBondContact CB-O 3.2Å; P502-K545 VanDerWaalsContact CG-O 3.32Å; P502-K545 WeakPolarHBondContact CG-O 3.11Å
503D89.1Confident91.5Very high108 Ų10836.2 Ų36.258%0.57818%0.176SC*.THydrogen-bonded Turntrans-68.3-17.4176.1-57.7-19.6000113.5H501 Y505H501-D503 VanDerWaalsContact CE1-CG 3.46Å; H501-D503 IonicContact CE1-OD1 3.97Å; H501-D503 IonicContact CE1-OD2 3.82Å; H501-D503 PolarHBondContact CE1-OD2 2.97Å; H501-D503 WeakPolarHBondContact ND1-CB 3.48Å; H501-D503 VanDerWaalsContact ND1-CG 3.35Å; H501-D503 PolarHBondContact ND1-N 2.94Å; H501-D503 IonicContact ND1-OD1 3.44Å; H501-D503 IonicContact ND1-OD2 2.72Å; H501-D503 PolarHBondContact ND1-OD2 2.79Å; H501-D503 PolarHBondContact O-N 3.06Å; H501-D503 VanDerWaalsContact O-N 3.12Å; D503-Y505 VanDerWaalsContact C-N 3.28Å; D503-Y505 HydrophobicContact CB-CD2 3.85Å; D503-Y505 HydrophobicContact CB-CE2 4.33Å; D503-Y505 WeakPolarHBondContact O-CD2 3.26Å; D503-Y505 WeakPolarHBondContact O-CE2 3.12Å; D503-Y505 PolarHBondContact O-N 3.19Å
504G89.6Confident91.5Very high2 Ų236 Ų362%0.02118%0.175CC..SBendtrans79.1-2.9175.900000116H501 P502H501-G504 WeakPolarHBondContact O-CA 3.23Å; H501-G504 PolarHBondContact O-N 3.2Å; P502-G504 PolarHBondContact O-N 3.25Å
505Y91.5Very high91.6Very high154 Ų15435.1 Ų35.160%0.60417%0.168SC*.SBendtrans-88.8-19179.2-58.5-68.7000114.1D503 V521D503-Y505 VanDerWaalsContact C-N 3.28Å; D503-Y505 HydrophobicContact CB-CD2 3.85Å; D503-Y505 HydrophobicContact CB-CE2 4.33Å; D503-Y505 WeakPolarHBondContact O-CD2 3.26Å; D503-Y505 WeakPolarHBondContact O-CE2 3.12Å; D503-Y505 PolarHBondContact O-N 3.19Å; Y505-V521 WeakPolarHBondContact O-CB 3.43Å; Y505-V521 WeakPolarHBondContact O-CG2 3.2Å; Y505-V521 PolarHBondContact O-N 3.12Å
506Q93.7Very high91.7Very high59 Ų5935 Ų3528%0.27617%0.168SC..EExtended strand (participates in β ladder)trans-126.5147-176.8-63.4-179.63.900110.6H501 W519 I527 Y564H501-Q506 HydrophobicContact CB-CB 4.08Å; H501-Q506 WeakPolarHBondContact CB-O 3.37Å; H501-Q506 PolarHBondContact N-O 3.34Å; Q506-W519 VanDerWaalsContact CA-O 3.29Å; Q506-W519 WeakPolarHBondContact CA-O 3.29Å; Q506-I527 HydrophobicContact CG-CD1 3.8Å; Q506-Y564 WeakPolarHBondContact CB-OH 3.48Å; Q506-Y564 PolarHBondContact OE1-OH 3.2Å
507I94.9Very high91.8Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-122.1149.9168.459.9173.3000110V467 I477 I489 V498 C499 Y500 Y518 W519 V521V467-I507 HydrophobicContact CG2-CD1 4.1Å; I477-I507 HydrophobicContact CD1-CD1 4.17Å; I477-I507 HydrophobicContact CG1-CD1 4.47Å; I489-I507 HydrophobicContact CD1-CD1 4.14Å; V498-I507 HydrophobicContact CG2-CB 4.39Å; V498-I507 HydrophobicContact CG2-CD1 4.5Å; C499-I507 CarbonylContact O-C 3.59Å; C499-I507 WeakPolarHBondContact O-CA 3.47Å; Y500-I507 HydrophobicContact CD1-CG2 3.32Å; Y500-I507 HydrophobicContact CE1-CG2 3.38Å; Y500-I507 HydrophobicContact CG-CG2 3.94Å; I507-Y518 WeakPolarHBondContact O-CA 3.39Å; I507-W519 HydrophobicContact CD1-CB 4.17Å; I507-W519 HydrophobicContact CG1-CB 3.65Å; I507-W519 HydrophobicContact CG1-CG 4.24Å; I507-W519 PolarHBondContact N-O 2.6Å; I507-W519 PolarHBondContact O-N 3.16Å; I507-V521 HydrophobicContact CG2-CG2 3.81Å
508V94.8Very high91.9Very high0 Ų028.6 Ų28.60%014%0.143CC..EExtended strand (participates in β ladder)trans-117.9130174-1680000108.9V498 C499 V516 I517 Y518 I541 I543 Y564V498-V508 CarbonylContact C-O 3.58Å; V498-V508 WeakPolarHBondContact CA-O 3.15Å; C499-V508 PolarHBondContact N-O 3.32Å; C499-V508 PolarHBondContact O-N 3.09Å; V508-V516 HydrophobicContact CG1-CG1 3.34Å; V508-I517 WeakPolarHBondContact CA-O 3.21Å; V508-Y518 HydrophobicContact CG1-CD1 4.4Å; V508-Y518 HydrophobicContact CG1-CE1 4.26Å; V508-Y518 HydrophobicContact CG2-CD1 3.53Å; V508-Y518 HydrophobicContact CG2-CE1 3.64Å; V508-Y518 HydrophobicContact CG2-CG 4.32Å; V508-I541 HydrophobicContact CB-CD1 3.89Å; V508-I541 HydrophobicContact CG1-CD1 3.35Å; V508-I543 HydrophobicContact CB-CD1 4.25Å; V508-I543 HydrophobicContact CG2-CD1 3.78Å; V508-Y564 HydrophobicContact CG2-CE2 3.73Å
509T93.7Very high91.9Very high0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-120.7148.4-179.458.50000110.5F495 V498 I517 W519F495-T509 HydrophobicContact CD1-CG2 4.36Å; F495-T509 HydrophobicContact CE1-CG2 4.2Å; F495-T509 WeakPolarHBondContact CE1-OG1 3.34Å; V498-T509 HydrophobicContact CB-CG2 4.33Å; V498-T509 HydrophobicContact CG2-CG2 3.9Å; T509-I517 PolarHBondContact N-O 2.8Å; T509-I517 PolarHBondContact O-N 3.43Å; T509-I517 PolarHBondContact OG1-O 3.29Å; T509-W519 PolarHBondContact OG1-NE1 2.87Å
510C91.6Very high91.9Very high1 Ų130.7 Ų30.71%0.00715%0.152CC..EExtended strand (participates in β ladder)trans-142.3157.7168.270.70000111.9R496 T497 Y538R496-C510 PolarHBondContact N-O 2.99Å; T497-C510 WeakPolarHBondContact CG2-SG 3.37Å; T497-C510 PolarHBondContact N-O 2.87Å; T497-C510 PolarHBondContact O-N 2.87Å; C510-Y538 HydrophobicContact CB-CD2 4.39Å; C510-Y538 HydrophobicContact CB-CG 4.35Å; C510-Y538 VanDerWaalsContact SG-CB 3.57Å
511G89.3Confident91.7Very high1 Ų130 Ų301%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-159.2-152.9-173.200000114L494 D513 Y538L494-G511 WeakPolarHBondContact O-CA 3.17Å; G511-D513 VanDerWaalsContact C-N 3.31Å; G511-D513 PolarHBondContact O-N 3.04Å; G511-Y538 PolarHBondContact O-N 3.06Å; G511-Y538 VanDerWaalsContact O-N 3.1Å
512T89.3Confident91.4Very high67 Ų6734.1 Ų34.141%0.41117%0.172SC..THydrogen-bonded Turntrans-78.5-10.9-17552.70000114.9T493 L494 G514 V537T493-T512 PolarHBondContact OG1-OG1 2.75Å; L494-T512 HydrophobicContact CB-CG2 3.89Å; L494-T512 HydrophobicContact CD1-CG2 4.28Å; L494-T512 PolarHBondContact N-OG1 2.9Å; L494-T512 PolarHBondContact O-N 2.89Å; T512-G514 VanDerWaalsContact C-N 3.31Å; T512-V537 HydrophobicContact CG2-CG1 4.43Å
513D87.8Confident91.1Very high50 Ų5033.8 Ų33.827%0.26718%0.176SC..THydrogen-bonded Turntrans-86.1-1.6178.359.8-26.6000113.3T493 G511 K515 G536T493-D513 WeakPolarHBondContact OG1-CB 3.14Å; T493-D513 PolarHBondContact OG1-N 3.12Å; T493-D513 PolarHBondContact OG1-OD1 2.76Å; G511-D513 VanDerWaalsContact C-N 3.31Å; G511-D513 PolarHBondContact O-N 3.04Å; D513-K515 PolarHBondContact O-N 3.18Å; D513-G536 CarbonylContact C-O 3.53Å
514G86.6Confident90.9Very high2 Ų229.2 Ų29.22%0.02116%0.155CC..SBendtrans7114.1176.600000113.8T512 G536 Y538T512-G514 VanDerWaalsContact C-N 3.31Å; G514-G536 WeakPolarHBondContact CA-O 3.44Å; G514-G536 PolarHBondContact N-O 2.97Å; G514-Y538 VanDerWaalsContact O-CE2 3.27Å; G514-Y538 WeakPolarHBondContact O-CE2 3.28Å
515K90.4Very high90.9Very high58 Ų5833 Ų3325%0.25218%0.178SC..EExtended strand (participates in β ladder)trans-105.1142.6-179.5-64-180179-172.50111.2D513 I517 E529 R530 E531D513-K515 PolarHBondContact O-N 3.18Å; K515-I517 HydrophobicContact CB-CD1 4.5Å; K515-I517 HydrophobicContact CB-CG1 4.1Å; K515-E529 IonicContact NZ-OE2 3.53Å; K515-R530 WeakPolarHBondContact CA-O 3.16Å; K515-E531 WeakPolarHBondContact CE-OE2 2.96Å; K515-E531 HydrophobicContact CG-CB 4.24Å; K515-E531 HydrophobicContact CG-CG 4.19Å
516V92.4Very high90.9Very high0 Ų028.4 Ų28.40%016%0.164CC..EExtended strand (participates in β ladder)trans-102.8111.6167.1-178.60000107.1V508 Y518 R530 Y538 I541 F550 T552V508-V516 HydrophobicContact CG1-CG1 3.34Å; V516-Y518 HydrophobicContact CG1-CE2 3.98Å; V516-R530 PolarHBondContact N-O 3.27Å; V516-R530 PolarHBondContact O-N 2.99Å; V516-Y538 HydrophobicContact CG2-CD2 4.17Å; V516-Y538 HydrophobicContact CG2-CE2 3.94Å; V516-I541 HydrophobicContact CG1-CD1 4.25Å; V516-F550 HydrophobicContact CG1-CE2 3.93Å; V516-F550 HydrophobicContact CG1-CZ 4.11Å; V516-T552 HydrophobicContact CG2-CG2 4.13Å
517I93.4Very high90.8Very high3 Ų329.3 Ų29.32%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-111.4135.6-174.6-49.9177.3000109.7V508 T509 K515 W519 N526 E529V508-I517 WeakPolarHBondContact CA-O 3.21Å; T509-I517 PolarHBondContact N-O 2.8Å; T509-I517 PolarHBondContact O-N 3.43Å; T509-I517 PolarHBondContact OG1-O 3.29Å; K515-I517 HydrophobicContact CB-CD1 4.5Å; K515-I517 HydrophobicContact CB-CG1 4.1Å; I517-W519 HydrophobicContact CB-CZ2 4.28Å; I517-W519 HydrophobicContact CD1-CZ2 4.25Å; I517-W519 HydrophobicContact CG2-CD2 4.11Å; I517-W519 HydrophobicContact CG2-CH2 4.33Å; I517-W519 HydrophobicContact CG2-CZ2 3.52Å; I517-N526 VanDerWaalsContact CG2-ND2 3.26Å; I517-N526 WeakPolarHBondContact CG2-ND2 3.14Å; I517-E529 HydrophobicContact CG1-CG 4.09Å; I517-E529 HydrophobicContact CG2-CG 4.08Å
518Y94.5Very high90.6Very high0 Ų031.7 Ų31.70%018%0.179CC..EExtended strand (participates in β ladder)trans-107.6130.1179.2-61.4-107.8000109.1I507 V508 V516 I527 R528 R530 F550 Y564I507-Y518 WeakPolarHBondContact O-CA 3.39Å; V508-Y518 HydrophobicContact CG1-CD1 4.4Å; V508-Y518 HydrophobicContact CG1-CE1 4.26Å; V508-Y518 HydrophobicContact CG2-CD1 3.53Å; V508-Y518 HydrophobicContact CG2-CE1 3.64Å; V508-Y518 HydrophobicContact CG2-CG 4.32Å; V516-Y518 HydrophobicContact CG1-CE2 3.98Å; Y518-I527 PolarHBondContact O-N 2.81Å; Y518-R528 HydrophobicContact CD1-CG 4.48Å; Y518-R528 VanDerWaalsContact CD1-NE 3.28Å; Y518-R528 HydrophobicContact CD2-CG 3.39Å; Y518-R528 VanDerWaalsContact CD2-NE 3.33Å; Y518-R528 WeakPolarHBondContact CD2-O 3.48Å; Y518-R528 VanDerWaalsContact CE1-CZ 3.44Å; Y518-R528 HydrophobicContact CE2-CG 4.06Å; Y518-R528 HydrophobicContact CG-CG 3.59Å; Y518-R528 VanDerWaalsContact CZ-NH2 3.35Å; Y518-R528 PolarHBondContact N-O 3.44Å; Y518-R530 HydrophobicContact CE2-CG 4.3Å; Y518-F550 WeakPolarHBondContact OH-CE1 3.32Å; Y518-F550 WeakPolarHBondContact OH-CZ 3.42Å; Y518-Y564 AromaticContact CD1-CE2 3.93Å; Y518-Y564 HydrophobicContact CD1-CE2 3.93Å; Y518-Y564 AromaticContact CD1-CZ 3.86Å; Y518-Y564 AromaticContact CE1-CD2 3.88Å; Y518-Y564 HydrophobicContact CE1-CD2 3.88Å; Y518-Y564 HydrophobicContact CE1-CE1 4.44Å; Y518-Y564 AromaticContact CE1-CE2 3.5Å; Y518-Y564 HydrophobicContact CE1-CE2 3.5Å; Y518-Y564 VanDerWaalsContact CE1-CE2 3.5Å; Y518-Y564 AromaticContact CE1-CZ 3.8Å
519W94.4Very high90.4Very high17 Ų1736 Ų366%0.06420%0.198CC..EExtended strand (participates in β ladder)trans-122.9145-177.2-52.787.2000111.1I489 F495 Q506 I507 T509 I517 T525 N526I489-W519 HydrophobicContact CD1-CB 4.04Å; I489-W519 HydrophobicContact CD1-CD2 4.09Å; I489-W519 HydrophobicContact CD1-CE3 4.13Å; I489-W519 HydrophobicContact CD1-CG 4.07Å; I489-W519 HydrophobicContact CG2-CD2 3.86Å; I489-W519 HydrophobicContact CG2-CE3 3.57Å; I489-W519 HydrophobicContact CG2-CH2 3.48Å; I489-W519 VanDerWaalsContact CG2-CH2 3.48Å; I489-W519 HydrophobicContact CG2-CZ2 3.75Å; I489-W519 HydrophobicContact CG2-CZ3 3.38Å; F495-W519 HydrophobicContact CZ-CZ2 4.46Å; Q506-W519 VanDerWaalsContact CA-O 3.29Å; Q506-W519 WeakPolarHBondContact CA-O 3.29Å; I507-W519 HydrophobicContact CD1-CB 4.17Å; I507-W519 HydrophobicContact CG1-CB 3.65Å; I507-W519 HydrophobicContact CG1-CG 4.24Å; I507-W519 PolarHBondContact N-O 2.6Å; I507-W519 PolarHBondContact O-N 3.16Å; T509-W519 PolarHBondContact OG1-NE1 2.87Å; I517-W519 HydrophobicContact CB-CZ2 4.28Å; I517-W519 HydrophobicContact CD1-CZ2 4.25Å; I517-W519 HydrophobicContact CG2-CD2 4.11Å; I517-W519 HydrophobicContact CG2-CH2 4.33Å; I517-W519 HydrophobicContact CG2-CZ2 3.52Å; W519-T525 WeakPolarHBondContact CA-O 3.27Å; W519-N526 HydrophobicContact CE3-CB 4.02Å; W519-N526 HydrophobicContact CH2-CB 4.19Å; W519-N526 HydrophobicContact CZ3-CB 3.71Å
520D93.8Very high90.1Very high41 Ų4141 Ų4122%0.21922%0.218CC..EExtended strand (participates in β ladder)trans-77.6132.2165.5178.439.6000110.1G523 G524 T525 I527D520-G523 PolarHBondContact OD2-N 3.19Å; D520-G524 WeakPolarHBondContact O-CA 3.41Å; D520-G524 PolarHBondContact O-N 2.8Å; D520-T525 PolarHBondContact N-O 3.4Å; D520-I527 HydrophobicContact CB-CD1 4.08Å; D520-I527 HydrophobicContact CB-CG1 4.21Å
521V91.3Very high89.7Confident4 Ų446.9 Ų46.92%0.02425%0.245CC..THydrogen-bonded Turntrans-71.4-34.7-178.81680000111.7I477 Y500 Y505 I507I477-V521 HydrophobicContact CD1-CB 4.25Å; I477-V521 HydrophobicContact CD1-CG1 4.02Å; I477-V521 HydrophobicContact CD1-CG2 4.26Å; Y500-V521 HydrophobicContact CD1-CG2 4.46Å; Y500-V521 HydrophobicContact CE1-CG2 4Å; Y505-V521 WeakPolarHBondContact O-CB 3.43Å; Y505-V521 WeakPolarHBondContact O-CG2 3.2Å; Y505-V521 PolarHBondContact O-N 3.12Å; I507-V521 HydrophobicContact CG2-CG2 3.81Å
522L87.8Confident89.1Confident104 Ų10447.8 Ų47.855%0.54525%0.25SC..THydrogen-bonded Turntrans-78-49.7-175.2-67.3175.7000112.1R486R486-L522 VanDerWaalsContact NH2-CD2 3.3Å
523G82.6Confident87.9Confident38 Ų3850.8 Ų50.839%0.39227%0.268SS..THydrogen-bonded Turntrans-89.8-18.7-178.800000114.5Q487 D520 T525Q487-G523 PolarHBondContact NE2-O 3.43Å; D520-G523 PolarHBondContact OD2-N 3.19Å; G523-T525 PolarHBondContact O-N 2.98Å
524G85.3Confident86.9Confident12 Ų1254.5 Ų54.512%0.12428%0.284CS..  trans62.322.9-170.100000113.3D520D520-G524 WeakPolarHBondContact O-CA 3.41Å; D520-G524 PolarHBondContact O-N 2.8Å
525T90.2Very high85.9Confident81 Ų8154.7 Ų54.750%0.49729%0.285SS..  trans-87.8148.1179.854.30000110.5W519 D520 G523 I527W519-T525 WeakPolarHBondContact CA-O 3.27Å; D520-T525 PolarHBondContact N-O 3.4Å; G523-T525 PolarHBondContact O-N 2.98Å; T525-I527 PolarHBondContact O-N 2.92Å
526N91.6Very high85.3Confident58 Ų5854.1 Ų54.131%0.3130%0.295SS..EExtended strand (participates in β ladder)trans-75.2121.4173.6-173.6-37.4000109I517 W519 R528 E529I517-N526 VanDerWaalsContact CG2-ND2 3.26Å; I517-N526 WeakPolarHBondContact CG2-ND2 3.14Å; W519-N526 HydrophobicContact CE3-CB 4.02Å; W519-N526 HydrophobicContact CH2-CB 4.19Å; W519-N526 HydrophobicContact CZ3-CB 3.71Å; N526-R528 PolarHBondContact OD1-N 3.29Å; N526-R528 PolarHBondContact OD1-O 3.45Å; N526-E529 WeakPolarHBondContact ND2-CG 3.42Å; N526-E529 PolarHBondContact ND2-OE1 2.84Å
527I91.6Very high85.1Confident79 Ų7955.1 Ų55.141%0.40530%0.301SS..EExtended strand (participates in β ladder)trans-85.6-46.7178.4-58173.2000109.8Q506 Y518 D520 T525Q506-I527 HydrophobicContact CG-CD1 3.8Å; Y518-I527 PolarHBondContact O-N 2.81Å; D520-I527 HydrophobicContact CB-CD1 4.08Å; D520-I527 HydrophobicContact CB-CG1 4.21Å; T525-I527 PolarHBondContact O-N 2.92Å
528R89.5Confident85Confident50 Ų5055 Ų5519%0.18930%0.3CS..EExtended strand (participates in β ladder)trans-162.8152.6-177.656.7174.5179.9-174.3-3.4111.1Y518 N526 Y564 M565Y518-R528 HydrophobicContact CD1-CG 4.48Å; Y518-R528 VanDerWaalsContact CD1-NE 3.28Å; Y518-R528 HydrophobicContact CD2-CG 3.39Å; Y518-R528 VanDerWaalsContact CD2-NE 3.33Å; Y518-R528 WeakPolarHBondContact CD2-O 3.48Å; Y518-R528 VanDerWaalsContact CE1-CZ 3.44Å; Y518-R528 HydrophobicContact CE2-CG 4.06Å; Y518-R528 HydrophobicContact CG-CG 3.59Å; Y518-R528 VanDerWaalsContact CZ-NH2 3.35Å; Y518-R528 PolarHBondContact N-O 3.44Å; N526-R528 PolarHBondContact OD1-N 3.29Å; N526-R528 PolarHBondContact OD1-O 3.45Å; R528-Y564 PolarHBondContact NH1-O 2.72Å; R528-Y564 PolarHBondContact NH2-O 2.97Å; R528-M565 PolarHBondContact NH1-O 3.32Å
529E90.4Very high84.9Confident89 Ų8956.4 Ų56.442%0.41631%0.308SS..EExtended strand (participates in β ladder)trans-119.9140171.4-58.6-173.7179.300109.7K515 I517 N526K515-E529 IonicContact NZ-OE2 3.53Å; I517-E529 HydrophobicContact CG1-CG 4.09Å; I517-E529 HydrophobicContact CG2-CG 4.08Å; N526-E529 WeakPolarHBondContact ND2-CG 3.42Å; N526-E529 PolarHBondContact ND2-OE1 2.84Å
530R88.4Confident84.8Confident106 Ų10655.7 Ų55.740%0.431%0.306SS..EExtended strand (participates in β ladder)trans-126.7128.9171.3-67-61.6-170.8-161.24.4108.9K515 V516 Y518 W562 Q566K515-R530 WeakPolarHBondContact CA-O 3.16Å; V516-R530 PolarHBondContact N-O 3.27Å; V516-R530 PolarHBondContact O-N 2.99Å; Y518-R530 HydrophobicContact CE2-CG 4.3Å; R530-W562 HydrophobicContact CB-CZ3 4.45Å; R530-Q566 PolarHBondContact NH2-O 2.78Å
531E82.3Confident84.9Confident124 Ų12453.8 Ų53.858%0.57930%0.295SS*.EExtended strand (participates in β ladder)trans-115.8142177-169.3174.216100108.8K515K515-E531 WeakPolarHBondContact CE-OE2 2.96Å; K515-E531 HydrophobicContact CG-CB 4.24Å; K515-E531 HydrophobicContact CG-CG 4.19Å
532D76.6Confident85Confident21 Ų2155.5 Ų55.511%0.11230%0.303CS..  trans-121.6114.5168.5-178.1-7.4000108.2E534 T535 Y538 K560 W562 I569D532-E534 PolarHBondContact O-N 3.24Å; D532-E534 VanDerWaalsContact O-N 3.09Å; D532-E534 PolarHBondContact OD1-N 2.86Å; D532-T535 WeakPolarHBondContact CB-OG1 3.41Å; D532-T535 PolarHBondContact O-N 2.85Å; D532-T535 PolarHBondContact O-OG1 3.04Å; D532-Y538 WeakPolarHBondContact CB-OH 3.32Å; D532-K560 IonicContact OD1-NZ 3.35Å; D532-K560 WeakPolarHBondContact OD2-CD 3.25Å; D532-K560 WeakPolarHBondContact OD2-CE 3.47Å; D532-K560 IonicContact OD2-NZ 2.82Å; D532-K560 PolarHBondContact OD2-NZ 2.6Å; D532-W562 HydrophobicContact CB-CH2 4.09Å; D532-W562 HydrophobicContact CB-CZ2 4.34Å; D532-I569 WeakPolarHBondContact OD2-CD1 3.46Å
533T64.6Low85.2Confident130 Ų13051 Ų5180%0.79828%0.279SS*.THydrogen-bonded Turntrans-58.9-22.5-173.746.60000113.6
534E67.8Low85.7Confident128 Ų12849.2 Ų49.260%0.59826%0.261SS*.THydrogen-bonded Turntrans-86.5-17.8-173.6-65.1-172.817000114.1D532D532-E534 PolarHBondContact O-N 3.24Å; D532-E534 VanDerWaalsContact O-N 3.09Å; D532-E534 PolarHBondContact OD1-N 2.86Å
535T65.5Low85.7Confident6 Ų655 Ų554%0.03728%0.282CS..THydrogen-bonded Turntrans-93.5-36.7-163.7-4.70000115.5D532 V537 Y538 D556 K560D532-T535 WeakPolarHBondContact CB-OG1 3.41Å; D532-T535 PolarHBondContact O-N 2.85Å; D532-T535 PolarHBondContact O-OG1 3.04Å; T535-V537 PolarHBondContact O-N 2.63Å; T535-Y538 HydrophobicContact CG2-CD1 4.22Å; T535-Y538 HydrophobicContact CG2-CE1 3.55Å; T535-Y538 PolarHBondContact OG1-OH 2.99Å; T535-D556 HydrophobicContact CG2-CB 3.85Å; T535-D556 WeakPolarHBondContact CG2-OD1 3.44Å; T535-D556 VanDerWaalsContact CG2-OD2 3.25Å; T535-D556 WeakPolarHBondContact CG2-OD2 3.49Å; T535-K560 VanDerWaalsContact CG2-NZ 3.29Å; T535-K560 PolarHBondContact OG1-NZ 2.65Å; T535-K560 VanDerWaalsContact OG1-NZ 3.12Å
536G78.1Confident85.5Confident45 Ų4553.9 Ų53.946%0.46427%0.274SS..SBendtrans67.5-63.2-173.600000114.4D513 G514D513-G536 CarbonylContact C-O 3.53Å; G514-G536 WeakPolarHBondContact CA-O 3.44Å; G514-G536 PolarHBondContact N-O 2.97Å
537V88.1Confident85.4Confident21 Ų2151.2 Ų51.213%0.12726%0.259CS..  trans-131.7133.8-173.1177.80000111.1T512 T535 G554 E555T512-V537 HydrophobicContact CG2-CG1 4.43Å; T535-V537 PolarHBondContact O-N 2.63Å; V537-G554 WeakPolarHBondContact O-CA 3.37Å; V537-E555 HydrophobicContact CB-CB 4.43Å; V537-E555 HydrophobicContact CB-CG 3.9Å; V537-E555 HydrophobicContact CG1-CG 4.3Å; V537-E555 PolarHBondContact O-N 2.87Å
538Y91.1Very high85.4Confident1 Ų150.8 Ų50.80%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-107.6123.4173.3-72.5-65.4000111.6C510 G511 G514 V516 D532 T535 T552 W562C510-Y538 HydrophobicContact CB-CD2 4.39Å; C510-Y538 HydrophobicContact CB-CG 4.35Å; C510-Y538 VanDerWaalsContact SG-CB 3.57Å; G511-Y538 PolarHBondContact O-N 3.06Å; G511-Y538 VanDerWaalsContact O-N 3.1Å; G514-Y538 VanDerWaalsContact O-CE2 3.27Å; G514-Y538 WeakPolarHBondContact O-CE2 3.28Å; V516-Y538 HydrophobicContact CG2-CD2 4.17Å; V516-Y538 HydrophobicContact CG2-CE2 3.94Å; D532-Y538 WeakPolarHBondContact CB-OH 3.32Å; T535-Y538 HydrophobicContact CG2-CD1 4.22Å; T535-Y538 HydrophobicContact CG2-CE1 3.55Å; T535-Y538 PolarHBondContact OG1-OH 2.99Å; Y538-T552 HydrophobicContact CD1-CG2 4.37Å; Y538-T552 HydrophobicContact CE1-CG2 4.34Å; Y538-T552 WeakPolarHBondContact CE1-OG1 3.25Å; Y538-W562 WeakPolarHBondContact OH-CZ2 3.45Å
539N91.9Very high85.5Confident29 Ų2949.3 Ų49.316%0.15525%0.253CS..EExtended strand (participates in β ladder)trans-93.7-30.6179.9-73.2-40.8000113.3R496 G553 I580R496-N539 WeakPolarHBondContact CG-O 3.29Å; N539-G553 PolarHBondContact N-O 3.36Å; N539-I580 VanDerWaalsContact CB-O 3.23Å; N539-I580 WeakPolarHBondContact CB-O 3.1Å; N539-I580 PolarHBondContact ND2-O 3.39Å
540S92.8Very high85.7Confident3 Ų345 Ų452%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-141.1146.7-173.7-175.90000112.8T552 G553 T583S540-T552 VanDerWaalsContact O-CA 3.29Å; S540-T552 WeakPolarHBondContact O-CA 3.41Å; S540-G553 PolarHBondContact N-O 2.79Å; S540-G553 VanDerWaalsContact N-O 3.1Å; S540-G553 PolarHBondContact O-N 2.8Å; S540-T583 WeakPolarHBondContact CB-OG1 3.27Å; S540-T583 PolarHBondContact OG-N 2.8Å; S540-T583 PolarHBondContact OG-O 2.92Å; S540-T583 PolarHBondContact OG-OG1 3.24Å
541I94.7Very high86Confident1 Ų140 Ų401%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-142.1141.1173.7-165.4169.7000109.5T497 C499 V508 V516 F550 V551 T552T497-I541 HydrophobicContact CG2-CB 4.05Å; T497-I541 HydrophobicContact CG2-CG2 3.52Å; C499-I541 HydrophobicContact CB-CG2 4.09Å; V508-I541 HydrophobicContact CB-CD1 3.89Å; V508-I541 HydrophobicContact CG1-CD1 3.35Å; V516-I541 HydrophobicContact CG1-CD1 4.25Å; I541-F550 HydrophobicContact CD1-CD2 3.93Å; I541-F550 HydrophobicContact CD1-CE2 4.32Å; I541-F550 HydrophobicContact CG1-CD2 4.08Å; I541-V551 VanDerWaalsContact CA-O 3.26Å; I541-V551 WeakPolarHBondContact CA-O 3.42Å; I541-T552 HydrophobicContact CD1-CG2 4.3Å; I541-T552 HydrophobicContact CG1-CG2 4.12Å
542H94.3Very high86.5Confident40 Ų4034.1 Ų34.119%0.18519%0.187CC..EExtended strand (participates in β ladder)trans-148.5132.9172.4-168.1-93.9000110.5F550 V551 R584 I585H542-F550 CarbonylContact O-C 3.53Å; H542-F550 VanDerWaalsContact O-CA 3.29Å; H542-F550 WeakPolarHBondContact O-CA 3.39Å; H542-F550 WeakPolarHBondContact O-CB 3.47Å; H542-V551 HydrophobicContact CB-CG2 4.04Å; H542-V551 PolarHBondContact N-O 2.79Å; H542-V551 PolarHBondContact O-N 2.89Å; H542-R584 VanDerWaalsContact CD2-CD 3.4Å; H542-R584 WeakPolarHBondContact CD2-CD 3.21Å; H542-I585 HydrophobicContact CB-CG1 4.38Å; H542-I585 PolarHBondContact CE1-O 3.43Å; H542-I585 PolarHBondContact ND1-N 3.33Å; H542-I585 VanDerWaalsContact O-CD1 3.32Å; H542-I585 WeakPolarHBondContact O-CD1 3.37Å
543I92.9Very high87.3Confident8 Ų833.1 Ų33.14%0.04118%0.182CC..EExtended strand (participates in β ladder)trans-96.9148.9-179.3-58.8173.3000109.2C499 V508 F550 Y564C499-I543 HydrophobicContact CB-CD1 3.88Å; C499-I543 HydrophobicContact CB-CG1 3.98Å; V508-I543 HydrophobicContact CB-CD1 4.25Å; V508-I543 HydrophobicContact CG2-CD1 3.78Å; I543-F550 HydrophobicContact CB-CB 4.37Å; I543-F550 HydrophobicContact CG1-CB 3.84Å; I543-Y564 HydrophobicContact CD1-CE2 4.34Å
544T91.2Very high88.6Confident2 Ų227 Ų271%0.01214%0.144CC..  trans-73.1155.4174.256.50000111.8P502 D546 G547 H549 I585 T587 F606P502-T544 VanDerWaalsContact CG-O 3.24Å; P502-T544 WeakPolarHBondContact CG-O 3.42Å; T544-D546 WeakPolarHBondContact CB-OD1 3.36Å; T544-D546 PolarHBondContact O-N 3.01Å; T544-D546 PolarHBondContact OG1-OD1 3.35Å; T544-G547 PolarHBondContact O-N 2.92Å; T544-H549 HydrophobicContact CG2-CB 3.81Å; T544-H549 PolarHBondContact N-O 3.32Å; T544-H549 PolarHBondContact OG1-N 3.02Å; T544-H549 VanDerWaalsContact OG1-N 3.14Å; T544-H549 PolarHBondContact OG1-O 3.09Å; T544-I585 HydrophobicContact CG2-CB 4.47Å; T544-I585 HydrophobicContact CG2-CD1 3.55Å; T544-I585 HydrophobicContact CG2-CG2 3.89Å; T544-T587 HydrophobicContact CG2-CG2 3.74Å; T544-F606 HydrophobicContact CG2-CE2 4.27Å; T544-F606 HydrophobicContact CG2-CZ 3.85Å
545K86.5Confident89.6Confident132 Ų13225.4 Ų25.457%0.57414%0.136SC*.THydrogen-bonded Turntrans-64.3-26.6-178.2-72.8-171.5177.4-1790113.5H333 P502H333-K545 PolarHBondContact O-NZ 3.45Å; P502-K545 WeakPolarHBondContact CB-O 3.2Å; P502-K545 VanDerWaalsContact CG-O 3.32Å; P502-K545 WeakPolarHBondContact CG-O 3.11Å
546D86.4Confident90.7Very high59 Ų5926.7 Ų26.732%0.31614%0.143SC..THydrogen-bonded Turntrans-82.6-10.9174.563.8-30.5000113.1T544 N548T544-D546 WeakPolarHBondContact CB-OD1 3.36Å; T544-D546 PolarHBondContact O-N 3.01Å; T544-D546 PolarHBondContact OG1-OD1 3.35Å; D546-N548 PolarHBondContact O-N 3.49Å; D546-N548 WeakPolarHBondContact OD2-CB 3.4Å; D546-N548 PolarHBondContact OD2-ND2 3.3Å
547G89.1Confident91.3Very high1 Ų126.4 Ų26.41%0.0113%0.129CC..SBendtrans78.9-9.6176.500000115.1H501 T544 H549 Y564H501-G547 VanDerWaalsContact NE2-CA 3.34Å; H501-G547 WeakPolarHBondContact NE2-CA 3.29Å; H501-G547 PolarHBondContact NE2-O 3.33Å; T544-G547 PolarHBondContact O-N 2.92Å; G547-H549 VanDerWaalsContact C-N 3.33Å; G547-H549 PolarHBondContact O-N 3.21Å; G547-Y564 WeakPolarHBondContact O-CB 3.46Å
548N91.2Very high91.5Very high70 Ų7029.8 Ų29.837%0.37414%0.139SC..SBendtrans-71.9-25.7-175.4-64.8-42000113.9D546 Y564D546-N548 PolarHBondContact O-N 3.49Å; D546-N548 WeakPolarHBondContact OD2-CB 3.4Å; D546-N548 PolarHBondContact OD2-ND2 3.3Å; N548-Y564 VanDerWaalsContact O-CB 3.23Å; N548-Y564 WeakPolarHBondContact O-CB 3.48Å; N548-Y564 PolarHBondContact O-N 2.87Å
549H92.4Very high91.5Very high19 Ų1929.7 Ų29.79%0.08814%0.139CC..EExtended strand (participates in β ladder)trans-135.3157.5-174.9-64.1-66000112.4T544 G547 W562 D563 F606 H608T544-H549 HydrophobicContact CG2-CB 3.81Å; T544-H549 PolarHBondContact N-O 3.32Å; T544-H549 PolarHBondContact OG1-N 3.02Å; T544-H549 VanDerWaalsContact OG1-N 3.14Å; T544-H549 PolarHBondContact OG1-O 3.09Å; G547-H549 VanDerWaalsContact C-N 3.33Å; G547-H549 PolarHBondContact O-N 3.21Å; H549-W562 VanDerWaalsContact CA-O 3.26Å; H549-W562 WeakPolarHBondContact CA-O 3.35Å; H549-W562 WeakPolarHBondContact CB-O 3.2Å; H549-W562 PolarHBondContact ND1-O 2.81Å; H549-D563 IonicContact CE1-OD2 2.79Å; H549-F606 HydrophobicContact CB-CE2 4.49Å; H549-F606 HydrophobicContact CB-CZ 4.08Å; H549-H608 AromaticContact CD2-CD2 3.8Å; H549-H608 AromaticContact CD2-CG 3.94Å; H549-H608 AromaticContact CE1-CD2 3.57Å; H549-H608 AromaticContact CE1-CE1 3.92Å; H549-H608 AromaticContact CE1-CG 3.9Å; H549-H608 AromaticContact CE1-NE2 3.62Å; H549-H608 AromaticContact ND1-CD2 3.87Å; H549-H608 AromaticContact NE2-CD2 3.49Å; H549-H608 PolarHBondContact NE2-CD2 3.46Å; H549-H608 AromaticContact NE2-CG 3.44Å; H549-H608 AromaticContact NE2-ND1 3.85Å; H549-H608 AromaticContact NE2-NE2 3.97Å
550F93.6Very high91.6Very high0 Ų028.4 Ų28.40%013%0.132CC..EExtended strand (participates in β ladder)trans-144.4157.9169.568-83.8000110.9V516 Y518 I541 H542 I543 T552 W562 Y564V516-F550 HydrophobicContact CG1-CE2 3.93Å; V516-F550 HydrophobicContact CG1-CZ 4.11Å; Y518-F550 WeakPolarHBondContact OH-CE1 3.32Å; Y518-F550 WeakPolarHBondContact OH-CZ 3.42Å; I541-F550 HydrophobicContact CD1-CD2 3.93Å; I541-F550 HydrophobicContact CD1-CE2 4.32Å; I541-F550 HydrophobicContact CG1-CD2 4.08Å; H542-F550 CarbonylContact O-C 3.53Å; H542-F550 VanDerWaalsContact O-CA 3.29Å; H542-F550 WeakPolarHBondContact O-CA 3.39Å; H542-F550 WeakPolarHBondContact O-CB 3.47Å; I543-F550 HydrophobicContact CB-CB 4.37Å; I543-F550 HydrophobicContact CG1-CB 3.84Å; F550-T552 HydrophobicContact CD2-CG2 3.95Å; F550-T552 HydrophobicContact CE2-CG2 3.81Å; F550-W562 HydrophobicContact CD1-CB 3.67Å; F550-W562 HydrophobicContact CD2-CB 3.97Å; F550-W562 AromaticContact CD2-CD1 3.95Å; F550-W562 HydrophobicContact CD2-CG 4.06Å; F550-W562 HydrophobicContact CE1-CB 3.21Å; F550-W562 AromaticContact CE1-CG 3.94Å; F550-W562 HydrophobicContact CE1-CG 3.94Å; F550-W562 HydrophobicContact CE2-CB 3.57Å; F550-W562 AromaticContact CE2-CD1 3.51Å; F550-W562 AromaticContact CE2-CD2 3.93Å; F550-W562 HydrophobicContact CE2-CD2 3.93Å; F550-W562 AromaticContact CE2-CG 3.39Å; F550-W562 HydrophobicContact CE2-CG 3.39Å; F550-W562 HydrophobicContact CG-CB 4.02Å; F550-W562 HydrophobicContact CZ-CB 3.16Å; F550-W562 AromaticContact CZ-CD1 3.95Å; F550-W562 AromaticContact CZ-CD2 3.7Å; F550-W562 HydrophobicContact CZ-CD2 3.7Å; F550-W562 HydrophobicContact CZ-CE3 4.06Å; F550-W562 AromaticContact CZ-CG 3.33Å; F550-W562 HydrophobicContact CZ-CG 3.33Å; F550-W562 PolarHBondContact N-O 2.94Å; F550-W562 VanDerWaalsContact N-O 3.14Å; F550-W562 PolarHBondContact O-N 3.09Å; F550-Y564 HydrophobicContact CD1-CD2 4Å; F550-Y564 HydrophobicContact CE1-CD2 4.49Å
551V94.3Very high91.6Very high0 Ų028.2 Ų28.20%013%0.131CC..EExtended strand (participates in β ladder)trans-115.5144.9175.3-66.30000111.1I541 H542 M559 K560 V561 I585 L592I541-V551 VanDerWaalsContact CA-O 3.26Å; I541-V551 WeakPolarHBondContact CA-O 3.42Å; H542-V551 HydrophobicContact CB-CG2 4.04Å; H542-V551 PolarHBondContact N-O 2.79Å; H542-V551 PolarHBondContact O-N 2.89Å; V551-M559 HydrophobicContact CB-CG 4.42Å; V551-K560 CarbonylContact C-O 3.6Å; V551-K560 VanDerWaalsContact CA-O 3.24Å; V551-K560 WeakPolarHBondContact CA-O 3.43Å; V551-V561 HydrophobicContact CG1-CB 4.45Å; V551-V561 HydrophobicContact CG1-CG2 3.85Å; V551-I585 HydrophobicContact CB-CD1 4.05Å; V551-I585 HydrophobicContact CB-CG1 4.19Å; V551-I585 HydrophobicContact CG1-CD1 3.58Å; V551-I585 HydrophobicContact CG1-CG1 3.83Å; V551-I585 HydrophobicContact CG2-CD1 3.66Å; V551-I585 HydrophobicContact CG2-CG1 3.41Å; V551-I585 VanDerWaalsContact CG2-CG1 3.41Å; V551-L592 HydrophobicContact CG1-CD1 4.36Å; V551-L592 HydrophobicContact CG1-CD2 3.83Å
552T93.9Very high91.5Very high1 Ų128.5 Ų28.51%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-122.8151.1169.961.80000110.5V516 Y538 S540 I541 F550 M559 K560 W562V516-T552 HydrophobicContact CG2-CG2 4.13Å; Y538-T552 HydrophobicContact CD1-CG2 4.37Å; Y538-T552 HydrophobicContact CE1-CG2 4.34Å; Y538-T552 WeakPolarHBondContact CE1-OG1 3.25Å; S540-T552 VanDerWaalsContact O-CA 3.29Å; S540-T552 WeakPolarHBondContact O-CA 3.41Å; I541-T552 HydrophobicContact CD1-CG2 4.3Å; I541-T552 HydrophobicContact CG1-CG2 4.12Å; F550-T552 HydrophobicContact CD2-CG2 3.95Å; F550-T552 HydrophobicContact CE2-CG2 3.81Å; T552-M559 WeakPolarHBondContact O-CA 3.48Å; T552-K560 PolarHBondContact N-O 2.99Å; T552-K560 PolarHBondContact O-N 3.34Å; T552-W562 PolarHBondContact OG1-NE1 3Å
553G93.1Very high91.4Very high0 Ų028.1 Ų28.10%013%0.131CC..EExtended strand (participates in β ladder)trans-141.6140.3172.200000110.4N539 S540N539-G553 PolarHBondContact N-O 3.36Å; S540-G553 PolarHBondContact N-O 2.79Å; S540-G553 VanDerWaalsContact N-O 3.1Å; S540-G553 PolarHBondContact O-N 2.8Å
554G90.8Very high91.3Very high0 Ų028 Ų280%013%0.13CC..EExtended strand (participates in β ladder)trans-150.1-158.7-169.700000115.2V537 D556 I580V537-G554 WeakPolarHBondContact O-CA 3.37Å; G554-D556 VanDerWaalsContact C-N 3.35Å; G554-I580 PolarHBondContact O-N 2.7Å
555E90.2Very high91.2Very high95 Ų9534.7 Ų34.744%0.44416%0.163SC..THydrogen-bonded Turntrans-79.5-13.5-178.8-69.5-174.4-173.700113.9V537 K557 N579V537-E555 HydrophobicContact CB-CB 4.43Å; V537-E555 HydrophobicContact CB-CG 3.9Å; V537-E555 HydrophobicContact CG1-CG 4.3Å; V537-E555 PolarHBondContact O-N 2.87Å; E555-K557 PolarHBondContact O-N 3.42Å; E555-K557 VanDerWaalsContact O-N 3.08Å; E555-N579 PolarHBondContact O-OD1 3.48Å
556D88.3Confident91.3Very high33 Ų3333.4 Ų33.418%0.17616%0.159CC..THydrogen-bonded Turntrans-71.1317073.9-22.9000113.5T535 G554 R558 K560T535-D556 HydrophobicContact CG2-CB 3.85Å; T535-D556 WeakPolarHBondContact CG2-OD1 3.44Å; T535-D556 VanDerWaalsContact CG2-OD2 3.25Å; T535-D556 WeakPolarHBondContact CG2-OD2 3.49Å; G554-D556 VanDerWaalsContact C-N 3.35Å; D556-R558 PolarHBondContact O-N 2.9Å; D556-R558 VanDerWaalsContact O-N 3.1Å; D556-R558 PolarHBondContact OD1-N 3.5Å; D556-K560 WeakPolarHBondContact OD2-CE 3.34Å; D556-K560 IonicContact OD2-NZ 2.8Å; D556-K560 PolarHBondContact OD2-NZ 2.93Å
557K90.4Very high91.2Very high40 Ų4030.9 Ų30.917%0.17415%0.147CC..SBendtrans62.113-179.5-45.6178.7178.9-175.20112.8S40 S59 E555 P575 A576 G577 A578S40-K557 PolarHBondContact OG-NZ 2.98Å; S59-K557 PolarHBondContact O-NZ 3.1Å; E555-K557 PolarHBondContact O-N 3.42Å; E555-K557 VanDerWaalsContact O-N 3.08Å; K557-P575 HydrophobicContact CB-CB 4.17Å; K557-P575 CarbonylContact O-C 3.58Å; K557-P575 VanDerWaalsContact O-CA 3.27Å; K557-P575 WeakPolarHBondContact O-CA 3.14Å; K557-A576 PolarHBondContact O-N 3.02Å; K557-G577 PolarHBondContact NZ-O 2.8Å; K557-A578 WeakPolarHBondContact CB-O 3.47Å; K557-A578 WeakPolarHBondContact CG-O 3.46Å
558R91.6Very high91.2Very high91 Ų9136.5 Ų36.534%0.34317%0.172SC..  trans-118.6147.6-177.1-67.2175.5174179.4-0.2111.4D556 I572 P575 I580D556-R558 PolarHBondContact O-N 2.9Å; D556-R558 VanDerWaalsContact O-N 3.1Å; D556-R558 PolarHBondContact OD1-N 3.5Å; R558-I572 HydrophobicContact CB-CG2 4.18Å; R558-I572 HydrophobicContact CG-CG2 4.42Å; R558-P575 HydrophobicContact CG-CB 4.26Å; R558-P575 HydrophobicContact CG-CG 4.29Å; R558-I580 WeakPolarHBondContact O-CD1 3.27Å
559M92.9Very high91.2Very high0 Ų034.7 Ų34.70%016%0.162CC..EExtended strand (participates in β ladder)trans-97132.7170-174.3178.360.500109L9 V551 T552 I572 S573 I580 T583 L592 W604L9-M559 HydrophobicContact CD1-CE 3.54Å; V551-M559 HydrophobicContact CB-CG 4.42Å; T552-M559 WeakPolarHBondContact O-CA 3.48Å; M559-I572 WeakPolarHBondContact O-CA 3.32Å; M559-S573 PolarHBondContact N-OG 3.42Å; M559-S573 PolarHBondContact O-N 3.46Å; M559-I580 HydrophobicContact CB-CD1 3.98Å; M559-T583 HydrophobicContact CG-CG2 4.19Å; M559-T583 HydrophobicContact SD-CG2 4.15Å; M559-L592 HydrophobicContact CE-CB 3.67Å; M559-L592 HydrophobicContact CE-CD1 3.53Å; M559-L592 HydrophobicContact CE-CG 4.21Å; M559-L592 HydrophobicContact SD-CB 4.1Å; M559-L592 HydrophobicContact SD-CD1 4.38Å; M559-W604 HydrophobicContact CE-CB 4.14Å; M559-W604 HydrophobicContact CE-CD2 4.17Å; M559-W604 HydrophobicContact CE-CG 3.56Å
560K92.5Very high91Very high1 Ų135.3 Ų35.30%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-117.4132-178.7-61.5176.3-177.8175.90109.6D532 T535 V551 T552 D556 W562 I569 I572D532-K560 IonicContact OD1-NZ 3.35Å; D532-K560 WeakPolarHBondContact OD2-CD 3.25Å; D532-K560 WeakPolarHBondContact OD2-CE 3.47Å; D532-K560 IonicContact OD2-NZ 2.82Å; D532-K560 PolarHBondContact OD2-NZ 2.6Å; T535-K560 VanDerWaalsContact CG2-NZ 3.29Å; T535-K560 PolarHBondContact OG1-NZ 2.65Å; T535-K560 VanDerWaalsContact OG1-NZ 3.12Å; V551-K560 CarbonylContact C-O 3.6Å; V551-K560 VanDerWaalsContact CA-O 3.24Å; V551-K560 WeakPolarHBondContact CA-O 3.43Å; T552-K560 PolarHBondContact N-O 2.99Å; T552-K560 PolarHBondContact O-N 3.34Å; D556-K560 WeakPolarHBondContact OD2-CE 3.34Å; D556-K560 IonicContact OD2-NZ 2.8Å; D556-K560 PolarHBondContact OD2-NZ 2.93Å; K560-W562 HydrophobicContact CD-CZ2 4.46Å; K560-I569 HydrophobicContact CB-CG2 4.38Å; K560-I569 HydrophobicContact CD-CD1 4.09Å; K560-I572 HydrophobicContact CG-CG1 4.35Å
561V93.6Very high90.9Very high0 Ų036.2 Ų36.20%017%0.171CC..EExtended strand (participates in β ladder)trans-100.4130172.5-177.40000108.4L9 V551 I569 T570 H571 L592 F606L9-V561 HydrophobicContact CD1-CG2 3.99Å; L9-V561 HydrophobicContact CD2-CG2 4.06Å; V551-V561 HydrophobicContact CG1-CB 4.45Å; V551-V561 HydrophobicContact CG1-CG2 3.85Å; V561-I569 CarbonylContact O-C 3.55Å; V561-I569 WeakPolarHBondContact O-CA 3.42Å; V561-T570 PolarHBondContact O-N 2.89Å; V561-T570 PolarHBondContact O-OG1 2.8Å; V561-H571 HydrophobicContact CB-CB 4.17Å; V561-H571 HydrophobicContact CG2-CB 4.27Å; V561-H571 PolarHBondContact N-O 3.07Å; V561-H571 PolarHBondContact O-N 3.22Å; V561-L592 HydrophobicContact CG2-CD1 3.84Å; V561-F606 HydrophobicContact CG1-CE2 4.22Å
562W92.6Very high90.8Very high7 Ų737.3 Ų37.33%0.02718%0.176CC..EExtended strand (participates in β ladder)trans-117.8144.2-175.8-61.977.5000110.9R530 D532 Y538 H549 F550 T552 K560 K568 I569R530-W562 HydrophobicContact CB-CZ3 4.45Å; D532-W562 HydrophobicContact CB-CH2 4.09Å; D532-W562 HydrophobicContact CB-CZ2 4.34Å; Y538-W562 WeakPolarHBondContact OH-CZ2 3.45Å; H549-W562 VanDerWaalsContact CA-O 3.26Å; H549-W562 WeakPolarHBondContact CA-O 3.35Å; H549-W562 WeakPolarHBondContact CB-O 3.2Å; H549-W562 PolarHBondContact ND1-O 2.81Å; F550-W562 HydrophobicContact CD1-CB 3.67Å; F550-W562 HydrophobicContact CD2-CB 3.97Å; F550-W562 AromaticContact CD2-CD1 3.95Å; F550-W562 HydrophobicContact CD2-CG 4.06Å; F550-W562 HydrophobicContact CE1-CB 3.21Å; F550-W562 AromaticContact CE1-CG 3.94Å; F550-W562 HydrophobicContact CE1-CG 3.94Å; F550-W562 HydrophobicContact CE2-CB 3.57Å; F550-W562 AromaticContact CE2-CD1 3.51Å; F550-W562 AromaticContact CE2-CD2 3.93Å; F550-W562 HydrophobicContact CE2-CD2 3.93Å; F550-W562 AromaticContact CE2-CG 3.39Å; F550-W562 HydrophobicContact CE2-CG 3.39Å; F550-W562 HydrophobicContact CG-CB 4.02Å; F550-W562 HydrophobicContact CZ-CB 3.16Å; F550-W562 AromaticContact CZ-CD1 3.95Å; F550-W562 AromaticContact CZ-CD2 3.7Å; F550-W562 HydrophobicContact CZ-CD2 3.7Å; F550-W562 HydrophobicContact CZ-CE3 4.06Å; F550-W562 AromaticContact CZ-CG 3.33Å; F550-W562 HydrophobicContact CZ-CG 3.33Å; F550-W562 PolarHBondContact N-O 2.94Å; F550-W562 VanDerWaalsContact N-O 3.14Å; F550-W562 PolarHBondContact O-N 3.09Å; T552-W562 PolarHBondContact OG1-NE1 3Å; K560-W562 HydrophobicContact CD-CZ2 4.46Å; W562-K568 WeakPolarHBondContact CA-O 3.35Å; W562-I569 HydrophobicContact CD2-CG1 3.75Å; W562-I569 HydrophobicContact CE3-CG1 3.75Å; W562-I569 HydrophobicContact CH2-CD1 3.72Å; W562-I569 HydrophobicContact CH2-CG1 3.52Å; W562-I569 HydrophobicContact CZ2-CD1 3.73Å; W562-I569 HydrophobicContact CZ2-CG1 3.49Å; W562-I569 VanDerWaalsContact CZ2-CG1 3.49Å; W562-I569 HydrophobicContact CZ3-CD1 4.28Å; W562-I569 HydrophobicContact CZ3-CG1 3.65Å
563D92Very high90.7Very high32 Ų3237.5 Ų37.517%0.17118%0.178CC..EExtended strand (participates in β ladder)trans-76.8124160.8-174.6-77.7000109.1H549 M565 Q566 G567 K568 T570H549-D563 IonicContact CE1-OD2 2.79Å; D563-M565 PolarHBondContact OD1-N 3.31Å; D563-Q566 HydrophobicContact CB-CB 4.25Å; D563-Q566 WeakPolarHBondContact OD1-CB 3.29Å; D563-Q566 WeakPolarHBondContact OD1-CG 3.39Å; D563-Q566 PolarHBondContact OD1-N 3.4Å; D563-G567 WeakPolarHBondContact O-CA 2.88Å; D563-G567 PolarHBondContact O-N 2.78Å; D563-K568 PolarHBondContact N-O 3.08Å; D563-T570 HydrophobicContact CB-CG2 4.12Å
564Y91.3Very high90.6Very high5 Ų540.5 Ų40.52%0.0219%0.193CC..THydrogen-bonded Turntrans-64.1-49-178.4-172.1-90.7000110.6H501 Q506 V508 Y518 R528 I543 G547 N548 F550H501-Y564 AromaticContact CD2-CE1 3.64Å; H501-Y564 AromaticContact CD2-CE2 3.53Å; H501-Y564 AromaticContact CD2-CZ 3.32Å; H501-Y564 AromaticContact CG-CZ 4Å; H501-Y564 AromaticContact NE2-CE1 3.86Å; Q506-Y564 WeakPolarHBondContact CB-OH 3.48Å; Q506-Y564 PolarHBondContact OE1-OH 3.2Å; V508-Y564 HydrophobicContact CG2-CE2 3.73Å; Y518-Y564 AromaticContact CD1-CE2 3.93Å; Y518-Y564 HydrophobicContact CD1-CE2 3.93Å; Y518-Y564 AromaticContact CD1-CZ 3.86Å; Y518-Y564 AromaticContact CE1-CD2 3.88Å; Y518-Y564 HydrophobicContact CE1-CD2 3.88Å; Y518-Y564 HydrophobicContact CE1-CE1 4.44Å; Y518-Y564 AromaticContact CE1-CE2 3.5Å; Y518-Y564 HydrophobicContact CE1-CE2 3.5Å; Y518-Y564 VanDerWaalsContact CE1-CE2 3.5Å; Y518-Y564 AromaticContact CE1-CZ 3.8Å; R528-Y564 PolarHBondContact NH1-O 2.72Å; R528-Y564 PolarHBondContact NH2-O 2.97Å; I543-Y564 HydrophobicContact CD1-CE2 4.34Å; G547-Y564 WeakPolarHBondContact O-CB 3.46Å; N548-Y564 VanDerWaalsContact O-CB 3.23Å; N548-Y564 WeakPolarHBondContact O-CB 3.48Å; N548-Y564 PolarHBondContact O-N 2.87Å; F550-Y564 HydrophobicContact CD1-CD2 4Å; F550-Y564 HydrophobicContact CE1-CD2 4.49Å
565M89.6Confident90.4Very high142 Ų14241.4 Ų41.470%0.720%0.199SC*.THydrogen-bonded Turntrans-70.4-44.8-172.6-66.3-62.1-106.500112.3R528 D563R528-M565 PolarHBondContact NH1-O 3.32Å; D563-M565 PolarHBondContact OD1-N 3.31Å
566Q87.3Confident90.1Very high106 Ų10637 Ų3750%0.49518%0.178SC..THydrogen-bonded Turntrans-78.8-29.6-179.3-58.1-176.724.900112.1R530 D563 K568R530-Q566 PolarHBondContact NH2-O 2.78Å; D563-Q566 HydrophobicContact CB-CB 4.25Å; D563-Q566 WeakPolarHBondContact OD1-CB 3.29Å; D563-Q566 WeakPolarHBondContact OD1-CG 3.39Å; D563-Q566 PolarHBondContact OD1-N 3.4Å; Q566-K568 VanDerWaalsContact C-N 3.34Å; Q566-K568 HydrophobicContact CB-CB 4.41Å; Q566-K568 HydrophobicContact CB-CD 4.43Å; Q566-K568 HydrophobicContact CB-CG 4.21Å
567G84.8Confident89.9Confident6 Ų635.4 Ų35.46%0.06217%0.171CC..THydrogen-bonded Turntrans65.937.3-172.600000112.1D563D563-G567 WeakPolarHBondContact O-CA 2.88Å; D563-G567 PolarHBondContact O-N 2.78Å
568K88.7Confident90Very high119 Ų11933.9 Ų33.952%0.51717%0.165SC..EExtended strand (participates in β ladder)trans-114.4148178.7-70.1-176.6-179.7174.20110.6W562 D563 Q566 T570W562-K568 WeakPolarHBondContact CA-O 3.35Å; D563-K568 PolarHBondContact N-O 3.08Å; Q566-K568 VanDerWaalsContact C-N 3.34Å; Q566-K568 HydrophobicContact CB-CB 4.41Å; Q566-K568 HydrophobicContact CB-CD 4.43Å; Q566-K568 HydrophobicContact CB-CG 4.21Å; K568-T570 PolarHBondContact O-N 2.9Å
569I90.3Very high90Very high32 Ų3231.6 Ų31.616%0.16416%0.16CC..EExtended strand (participates in β ladder)trans-76.5122.7174.6-58162.7000108.6T6 D532 K560 V561 W562 I572T6-I569 HydrophobicContact CG2-CB 4.34Å; T6-I569 HydrophobicContact CG2-CG2 4.09Å; D532-I569 WeakPolarHBondContact OD2-CD1 3.46Å; K560-I569 HydrophobicContact CB-CG2 4.38Å; K560-I569 HydrophobicContact CD-CD1 4.09Å; V561-I569 CarbonylContact O-C 3.55Å; V561-I569 WeakPolarHBondContact O-CA 3.42Å; W562-I569 HydrophobicContact CD2-CG1 3.75Å; W562-I569 HydrophobicContact CE3-CG1 3.75Å; W562-I569 HydrophobicContact CH2-CD1 3.72Å; W562-I569 HydrophobicContact CH2-CG1 3.52Å; W562-I569 HydrophobicContact CZ2-CD1 3.73Å; W562-I569 HydrophobicContact CZ2-CG1 3.49Å; W562-I569 VanDerWaalsContact CZ2-CG1 3.49Å; W562-I569 HydrophobicContact CZ3-CD1 4.28Å; W562-I569 HydrophobicContact CZ3-CG1 3.65Å; I569-I572 HydrophobicContact CG2-CD1 3.97Å; I569-I572 HydrophobicContact CG2-CG1 3.55Å
570T90.2Very high90.1Very high32 Ų3231.6 Ų31.620%0.19616%0.16CC..EExtended strand (participates in β ladder)trans-93-45176.261.80000110.7I7 V561 D563 K568 H608I7-T570 PolarHBondContact N-O 3.31Å; I7-T570 VanDerWaalsContact N-O 3.13Å; V561-T570 PolarHBondContact O-N 2.89Å; V561-T570 PolarHBondContact O-OG1 2.8Å; D563-T570 HydrophobicContact CB-CG2 4.12Å; K568-T570 PolarHBondContact O-N 2.9Å; T570-H608 PolarHBondContact OG1-NE2 2.74Å
571H91.3Very high90.2Very high18 Ų1832.9 Ų32.98%0.08317%0.168CC..EExtended strand (participates in β ladder)trans-137.3150.4-176.1-5572.7000112.7I7 L9 V561 P607 H608I7-H571 CarbonylContact O-C 3.55Å; I7-H571 WeakPolarHBondContact O-CA 3.44Å; I7-H571 WeakPolarHBondContact O-CB 3.37Å; L9-H571 HydrophobicContact CD2-CB 3.5Å; L9-H571 HydrophobicContact CG-CB 3.75Å; V561-H571 HydrophobicContact CB-CB 4.17Å; V561-H571 HydrophobicContact CG2-CB 4.27Å; V561-H571 PolarHBondContact N-O 3.07Å; V561-H571 PolarHBondContact O-N 3.22Å; H571-P607 HydrophobicContact CB-CG 4.39Å; H571-P607 VanDerWaalsContact CE1-CG 3.42Å; H571-P607 WeakPolarHBondContact CE1-CG 3.37Å; H571-P607 WeakPolarHBondContact ND1-CG 3.36Å; H571-P607 VanDerWaalsContact NE2-CB 3.32Å; H571-P607 WeakPolarHBondContact NE2-CB 3.47Å; H571-H608 AromaticContact CE1-CE1 3.74Å; H571-H608 AromaticContact CE1-NE2 3.55Å; H571-H608 AromaticContact ND1-NE2 3.64Å
572I92.4Very high90.2Very high23 Ų2333 Ų3312%0.11817%0.169CC..EExtended strand (participates in β ladder)trans-132.6137179.3-57.8-179000109.1T6 I7 P8 L9 R558 M559 K560 I569T6-I572 HydrophobicContact CG2-CD1 3.91Å; T6-I572 HydrophobicContact CG2-CG1 4.36Å; I7-I572 PolarHBondContact O-N 3.24Å; P8-I572 CarbonylContact C-O 3.54Å; P8-I572 WeakPolarHBondContact CA-O 3.46Å; L9-I572 PolarHBondContact N-O 2.86Å; R558-I572 HydrophobicContact CB-CG2 4.18Å; R558-I572 HydrophobicContact CG-CG2 4.42Å; M559-I572 WeakPolarHBondContact O-CA 3.32Å; K560-I572 HydrophobicContact CG-CG1 4.35Å; I569-I572 HydrophobicContact CG2-CD1 3.97Å; I569-I572 HydrophobicContact CG2-CG1 3.55Å
573S91.7Very high90.3Very high5 Ų532.7 Ų32.74%0.03517%0.168CC..PPolyproline II helixtrans-75.9161.117476.10000112.1M559M559-S573 PolarHBondContact N-OG 3.42Å; M559-S573 PolarHBondContact O-N 3.46Å
574I89.9Confident90.3Very high63 Ų6332 Ų3232%0.32316%0.163SC..PPolyproline II helixtrans-60.2153.4158.362.2172.2000108.9F54 W602 W604F54-I574 HydrophobicContact CD2-CD1 3.67Å; F54-I574 HydrophobicContact CE2-CD1 3.64Å; I574-W602 HydrophobicContact CD1-CZ3 4.33Å; I574-W604 HydrophobicContact CD1-CH2 4.28Å; I574-W604 HydrophobicContact CG1-CH2 3.44Å; I574-W604 VanDerWaalsContact CG1-CH2 3.44Å; I574-W604 HydrophobicContact CG1-CZ3 3.81Å
575P87.3Confident90.3Very high20 Ų2032.2 Ų32.213%0.1316%0.164CC..PPolyproline II helixtrans-57.8152.3175.2-11.822.8000110.3F41 K557 R558F41-P575 HydrophobicContact CE1-CB 4.49Å; F41-P575 WeakPolarHBondContact CE2-O 3.31Å; F41-P575 HydrophobicContact CZ-CB 3.82Å; F41-P575 HydrophobicContact CZ-CG 4.34Å; F41-P575 WeakPolarHBondContact CZ-O 3.29Å; K557-P575 HydrophobicContact CB-CB 4.17Å; K557-P575 CarbonylContact O-C 3.58Å; K557-P575 VanDerWaalsContact O-CA 3.27Å; K557-P575 WeakPolarHBondContact O-CA 3.14Å; R558-P575 HydrophobicContact CG-CB 4.26Å; R558-P575 HydrophobicContact CG-CG 4.29Å
576A83.9Confident89.9Confident1 Ų126.2 Ų26.21%0.00814%0.136CC..  trans-97.48.4-177.100000113.4K557 A578 I580 W602K557-A576 PolarHBondContact O-N 3.02Å; A576-A578 PolarHBondContact O-N 2.79Å; A576-I580 HydrophobicContact CB-CG1 4.38Å; A576-W602 HydrophobicContact CB-CD2 4.29Å; A576-W602 HydrophobicContact CB-CZ2 4.11Å; A576-W602 VanDerWaalsContact O-CZ2 3.25Å; A576-W602 WeakPolarHBondContact O-CZ2 3.41Å
577G84.4Confident88.9Confident1 Ų122 Ų221%0.0112%0.118CC..SBendtrans75.7-22.5-175.900000115S40 K557S40-G577 WeakPolarHBondContact CB-O 3.35Å; S40-G577 PolarHBondContact N-O 2.82Å; S40-G577 PolarHBondContact OG-O 3Å; K557-G577 PolarHBondContact NZ-O 2.8Å
578A91.3Very high88.2Confident8 Ų827.1 Ų27.17%0.06614%0.143CC..SBendtrans-142.9171.4175.100000111.9K557 A576 I580 E597 D598K557-A578 WeakPolarHBondContact CB-O 3.47Å; K557-A578 WeakPolarHBondContact CG-O 3.46Å; A576-A578 PolarHBondContact O-N 2.79Å; A578-I580 PolarHBondContact O-N 3.04Å; A578-E597 HydrophobicContact CB-CB 4.36Å; A578-D598 HydrophobicContact CB-CB 3.81Å
579N93Very high87.1Confident42 Ų4224.2 Ų24.223%0.22513%0.133CC..  trans-59.8137.1178.9-66.3-12.3000110.6E555 S596 E597E555-N579 PolarHBondContact O-OD1 3.48Å; N579-S596 WeakPolarHBondContact O-CA 3.49Å; N579-E597 HydrophobicContact CB-CB 4.46Å; N579-E597 PolarHBondContact ND2-OE2 3.07Å; N579-E597 PolarHBondContact O-N 3.24Å
580I94.6Very high86.5Confident0 Ų028.4 Ų28.40%015%0.147CC..EExtended strand (participates in β ladder)trans-80.4123.8175.4-60.4-176.9000107.9N539 G554 R558 M559 A576 A578 T583 A595N539-I580 VanDerWaalsContact CB-O 3.23Å; N539-I580 WeakPolarHBondContact CB-O 3.1Å; N539-I580 PolarHBondContact ND2-O 3.39Å; G554-I580 PolarHBondContact O-N 2.7Å; R558-I580 WeakPolarHBondContact O-CD1 3.27Å; M559-I580 HydrophobicContact CB-CD1 3.98Å; A576-I580 HydrophobicContact CB-CG1 4.38Å; A578-I580 PolarHBondContact O-N 3.04Å; I580-T583 HydrophobicContact CG2-CG2 3.57Å; I580-A595 WeakPolarHBondContact CA-O 3.35Å; I580-A595 WeakPolarHBondContact CG2-O 3.38Å
581T94.5Very high86.4Confident29 Ų2927.6 Ų27.618%0.17814%0.141CC..EExtended strand (participates in β ladder)trans-93.1-39.3-178.954.50000111.7V326 A595 E597V326-T581 VanDerWaalsContact O-CB 3.23Å; V326-T581 WeakPolarHBondContact O-CB 3.45Å; V326-T581 PolarHBondContact O-OG1 3.44Å; T581-A595 PolarHBondContact N-O 3.46Å; T581-A595 PolarHBondContact OG1-O 3.47Å; T581-E597 HydrophobicContact CG2-CB 4.18Å
582C93.8Very high86.4Confident3 Ų326.8 Ų26.82%0.0214%0.137CC..EExtended strand (participates in β ladder)trans-147.5145.1-175.5-1720000111.6D328 V329 R584 S594 A595D328-C582 PolarHBondContact OD1-SG 2.88Å; V329-C582 HydrophobicContact CG2-CB 4.2Å; V329-C582 PolarHBondContact N-SG 2.68Å; C582-R584 VanDerWaalsContact SG-CZ 3.55Å; C582-R584 PolarHBondContact SG-NH1 3.07Å; C582-S594 WeakPolarHBondContact O-CA 3.39Å; C582-A595 PolarHBondContact O-N 2.74Å
583T94.4Very high86.4Confident0 Ų025.7 Ų25.70%013%0.132CC..EExtended strand (participates in β ladder)trans-135.7142.4177.2560000110.4S540 M559 I580 V593S540-T583 WeakPolarHBondContact CB-OG1 3.27Å; S540-T583 PolarHBondContact OG-N 2.8Å; S540-T583 PolarHBondContact OG-O 2.92Å; S540-T583 PolarHBondContact OG-OG1 3.24Å; M559-T583 HydrophobicContact CG-CG2 4.19Å; M559-T583 HydrophobicContact SD-CG2 4.15Å; I580-T583 HydrophobicContact CG2-CG2 3.57Å; T583-V593 CarbonylContact C-O 3.59Å; T583-V593 VanDerWaalsContact CA-O 3.27Å; T583-V593 WeakPolarHBondContact CA-O 3.43Å
584R92.4Very high86.6Confident17 Ų1725.5 Ų25.56%0.06413%0.13CC..EExtended strand (participates in β ladder)trans-141.9146.6176.5-67.6-63.9-176.3-90.9-6.9111D328 V329 L331 H542 C582 V593D328-R584 IonicContact OD1-CZ 2.87Å; D328-R584 IonicContact OD1-NH2 3.9Å; D328-R584 PolarHBondContact OD1-NH2 3.43Å; D328-R584 IonicContact OD2-NH2 3.52Å; V329-R584 HydrophobicContact CB-CG 3.9Å; V329-R584 HydrophobicContact CG1-CB 4.34Å; V329-R584 HydrophobicContact CG1-CG 3.94Å; V329-R584 WeakPolarHBondContact O-CG 3.34Å; V329-R584 PolarHBondContact O-NE 3.25Å; V329-R584 PolarHBondContact O-NH2 3.28Å; V329-R584 VanDerWaalsContact O-NH2 3.16Å; L331-R584 HydrophobicContact CD1-CB 3.71Å; L331-R584 HydrophobicContact CG-CB 4.07Å; H542-R584 VanDerWaalsContact CD2-CD 3.4Å; H542-R584 WeakPolarHBondContact CD2-CD 3.21Å; C582-R584 VanDerWaalsContact SG-CZ 3.55Å; C582-R584 PolarHBondContact SG-NH1 3.07Å; R584-V593 PolarHBondContact N-O 2.86Å; R584-V593 PolarHBondContact O-N 2.94Å
585I90Very high86.8Confident9 Ų922.5 Ų22.55%0.04612%0.115CC..EExtended strand (participates in β ladder)trans-115.3128.6177.3-45.8176.1000109.8L331 H542 T544 V551 T587 L592 F606L331-I585 WeakPolarHBondContact CD1-O 3.26Å; H542-I585 HydrophobicContact CB-CG1 4.38Å; H542-I585 PolarHBondContact CE1-O 3.43Å; H542-I585 PolarHBondContact ND1-N 3.33Å; H542-I585 VanDerWaalsContact O-CD1 3.32Å; H542-I585 WeakPolarHBondContact O-CD1 3.37Å; T544-I585 HydrophobicContact CG2-CB 4.47Å; T544-I585 HydrophobicContact CG2-CD1 3.55Å; T544-I585 HydrophobicContact CG2-CG2 3.89Å; V551-I585 HydrophobicContact CB-CD1 4.05Å; V551-I585 HydrophobicContact CB-CG1 4.19Å; V551-I585 HydrophobicContact CG1-CD1 3.58Å; V551-I585 HydrophobicContact CG1-CG1 3.83Å; V551-I585 HydrophobicContact CG2-CD1 3.66Å; V551-I585 HydrophobicContact CG2-CG1 3.41Å; V551-I585 VanDerWaalsContact CG2-CG1 3.41Å; I585-T587 HydrophobicContact CG2-CG2 4.12Å; I585-L592 HydrophobicContact CB-CD2 3.88Å; I585-L592 HydrophobicContact CD1-CD2 4.27Å; I585-L592 HydrophobicContact CG1-CD2 3.55Å; I585-L592 HydrophobicContact CG2-CD2 3.6Å; I585-F606 HydrophobicContact CG2-CD2 4.32Å; I585-F606 HydrophobicContact CG2-CE2 4.45Å
586C82.4Confident87.2Confident17 Ų1721.5 Ų21.512%0.11511%0.109CC..EExtended strand (participates in β ladder)trans-111.1100.5165-168.40000109.4L331 S336 L588 R590 I591L331-C586 HydrophobicContact CD1-CB 3.88Å; S336-C586 WeakPolarHBondContact CB-SG 3.42Å; C586-L588 VanDerWaalsContact C-N 3.34Å; C586-L588 PolarHBondContact O-N 2.88Å; C586-R590 WeakPolarHBondContact O-CA 3.27Å; C586-R590 PolarHBondContact O-N 2.95Å; C586-R590 VanDerWaalsContact O-N 3.08Å; C586-I591 PolarHBondContact N-O 3.06Å; C586-I591 PolarHBondContact O-N 2.99Å
587T66.3Low87.6Confident18 Ų1826.2 Ų26.211%0.1113%0.13CC..THydrogen-bonded Turntrans-67.3-33.9179.752.60000112.7T544 I585 N589 R590T544-T587 HydrophobicContact CG2-CG2 3.74Å; I585-T587 HydrophobicContact CG2-CG2 4.12Å; T587-N589 VanDerWaalsContact C-N 3.35Å; T587-N589 PolarHBondContact O-N 3.41Å; T587-R590 PolarHBondContact O-N 2.89Å
588L69.3Low87.9Confident113 Ų11327 Ų2759%0.59213%0.134SC*.THydrogen-bonded Turntrans-61-40.5-178.6-69174.2000113C586C586-L588 VanDerWaalsContact C-N 3.34Å; C586-L588 PolarHBondContact O-N 2.88Å
589N65Low87.9Confident58 Ų5826.7 Ų26.731%0.3113%0.132SC..THydrogen-bonded Turntrans-103.56.2178.4-83.510.1000113.5S336 T587 I591S336-N589 WeakPolarHBondContact CB-ND2 3.16Å; S336-N589 VanDerWaalsContact CB-OD1 3.27Å; S336-N589 WeakPolarHBondContact CB-OD1 3.37Å; S336-N589 PolarHBondContact O-ND2 2.91Å; S336-N589 PolarHBondContact OG-ND2 2.77Å; S336-N589 PolarHBondContact OG-OD1 2.84Å; T587-N589 VanDerWaalsContact C-N 3.35Å; T587-N589 PolarHBondContact O-N 3.41Å; N589-I591 HydrophobicContact CB-CD1 3.63Å; N589-I591 HydrophobicContact CB-CG1 4.49Å; N589-I591 VanDerWaalsContact O-CD1 3.28Å; N589-I591 WeakPolarHBondContact O-CD1 3.44Å; N589-I591 WeakPolarHBondContact O-CG1 3.49Å; N589-I591 PolarHBondContact O-N 2.93Å
590R79.3Confident88Confident119 Ų11924.7 Ų24.745%0.44912%0.121SC..THydrogen-bonded Turntrans50.845.3-176-55.7-174.1-175.4176.13.6112.8C586 T587 K605 F606C586-R590 WeakPolarHBondContact O-CA 3.27Å; C586-R590 PolarHBondContact O-N 2.95Å; C586-R590 VanDerWaalsContact O-N 3.08Å; T587-R590 PolarHBondContact O-N 2.89Å; R590-K605 CarbonylContact O-C 3.58Å; R590-K605 WeakPolarHBondContact O-CA 3.21Å; R590-F606 HydrophobicContact CB-CB 4.05Å; R590-F606 PolarHBondContact O-N 3.4Å
591I86.9Confident88Confident16 Ų1624.7 Ų24.78%0.08212%0.121CC..EExtended strand (participates in β ladder)trans-120.1132.7179.7-69.7140.9000109.9V352 C586 N589 V593 L603 W604V352-I591 HydrophobicContact CB-CD1 4.08Å; V352-I591 HydrophobicContact CG1-CB 4.11Å; V352-I591 HydrophobicContact CG1-CD1 3.2Å; V352-I591 HydrophobicContact CG1-CG1 3.83Å; V352-I591 HydrophobicContact CG1-CG2 3.7Å; C586-I591 PolarHBondContact N-O 3.06Å; C586-I591 PolarHBondContact O-N 2.99Å; N589-I591 HydrophobicContact CB-CD1 3.63Å; N589-I591 HydrophobicContact CB-CG1 4.49Å; N589-I591 VanDerWaalsContact O-CD1 3.28Å; N589-I591 WeakPolarHBondContact O-CD1 3.44Å; N589-I591 WeakPolarHBondContact O-CG1 3.49Å; N589-I591 PolarHBondContact O-N 2.93Å; I591-V593 HydrophobicContact CG2-CG2 4.07Å; I591-L603 HydrophobicContact CG2-CD2 4.14Å; I591-W604 CarbonylContact C-O 3.59Å; I591-W604 WeakPolarHBondContact CA-O 3.1Å
592L91.4Very high87.9Confident0 Ų023.3 Ų23.30%011%0.113CC..EExtended strand (participates in β ladder)trans-102.9132.6165.9-58.3174.7000108L9 V551 M559 V561 I585 L603 W604 F606L9-L592 HydrophobicContact CD1-CD1 4.06Å; L9-L592 HydrophobicContact CD2-CD1 4.26Å; V551-L592 HydrophobicContact CG1-CD1 4.36Å; V551-L592 HydrophobicContact CG1-CD2 3.83Å; M559-L592 HydrophobicContact CE-CB 3.67Å; M559-L592 HydrophobicContact CE-CD1 3.53Å; M559-L592 HydrophobicContact CE-CG 4.21Å; M559-L592 HydrophobicContact SD-CB 4.1Å; M559-L592 HydrophobicContact SD-CD1 4.38Å; V561-L592 HydrophobicContact CG2-CD1 3.84Å; I585-L592 HydrophobicContact CB-CD2 3.88Å; I585-L592 HydrophobicContact CD1-CD2 4.27Å; I585-L592 HydrophobicContact CG1-CD2 3.55Å; I585-L592 HydrophobicContact CG2-CD2 3.6Å; L592-L603 CarbonylContact O-C 3.6Å; L592-L603 WeakPolarHBondContact O-CA 3.38Å; L592-W604 HydrophobicContact CB-CB 4.03Å; L592-W604 HydrophobicContact CB-CG 4.47Å; L592-W604 HydrophobicContact CD1-CB 4.43Å; L592-W604 PolarHBondContact N-O 2.84Å; L592-W604 PolarHBondContact O-N 2.84Å; L592-F606 HydrophobicContact CD1-CD2 4.09Å; L592-F606 HydrophobicContact CD2-CB 4.49Å; L592-F606 HydrophobicContact CD2-CD2 3.69Å; L592-F606 HydrophobicContact CD2-CE2 4.41Å; L592-F606 HydrophobicContact CD2-CG 4.46Å; L592-F606 HydrophobicContact CG-CB 4.2Å; L592-F606 HydrophobicContact CG-CD2 3.99Å
593V93.6Very high87.9Confident1 Ų123.2 Ų23.21%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-112.4125.4173.8-171.20000107.6V329 F339 T583 R584 I591 I601 W602 L603V329-V593 HydrophobicContact CG1-CB 4.3Å; V329-V593 HydrophobicContact CG1-CG1 3.92Å; F339-V593 HydrophobicContact CD2-CG1 4.32Å; F339-V593 HydrophobicContact CE2-CG1 4.26Å; T583-V593 CarbonylContact C-O 3.59Å; T583-V593 VanDerWaalsContact CA-O 3.27Å; T583-V593 WeakPolarHBondContact CA-O 3.43Å; R584-V593 PolarHBondContact N-O 2.86Å; R584-V593 PolarHBondContact O-N 2.94Å; I591-V593 HydrophobicContact CG2-CG2 4.07Å; V593-I601 HydrophobicContact CG1-CG2 3.69Å; V593-W602 WeakPolarHBondContact CA-O 3.33Å; V593-L603 HydrophobicContact CB-CD2 4.17Å; V593-L603 HydrophobicContact CG1-CD2 3.93Å; V593-L603 HydrophobicContact CG2-CD2 3.62Å
594S94.7Very high87.8Confident0 Ų023.2 Ų23.20%011%0.112CC..EExtended strand (participates in β ladder)trans-121.9133.7168.560.40000110.1C582 W602 W604C582-S594 WeakPolarHBondContact O-CA 3.39Å; S594-W602 PolarHBondContact N-O 3.41Å; S594-W602 PolarHBondContact O-N 2.94Å; S594-W602 WeakPolarHBondContact OG-CB 3.38Å; S594-W604 PolarHBondContact OG-NE1 3.25Å
595A95.2Very high87.7Confident0 Ų026.2 Ų26.20%013%0.126CC..EExtended strand (participates in β ladder)trans-111.2142.4177.800000110.4V326 V329 I580 T581 C582 G600V326-A595 HydrophobicContact CB-CB 3.78Å; V326-A595 HydrophobicContact CG1-CB 3.59Å; V326-A595 HydrophobicContact CG2-CB 4.44Å; V329-A595 HydrophobicContact CG2-CB 3.66Å; I580-A595 WeakPolarHBondContact CA-O 3.35Å; I580-A595 WeakPolarHBondContact CG2-O 3.38Å; T581-A595 PolarHBondContact N-O 3.46Å; T581-A595 PolarHBondContact OG1-O 3.47Å; C582-A595 PolarHBondContact O-N 2.74Å; A595-G600 WeakPolarHBondContact CA-O 3.46Å
596S94.1Very high87.7Confident0 Ų026.3 Ų26.30%013%0.126CC..EExtended strand (participates in β ladder)trans-117.8160.7-174.350.20000113N579 D598 G599 G600 W602N579-S596 WeakPolarHBondContact O-CA 3.49Å; S596-D598 WeakPolarHBondContact CB-OD1 3.4Å; S596-D598 PolarHBondContact O-N 3.37Å; S596-D598 PolarHBondContact OG-OD1 2.95Å; S596-G599 PolarHBondContact O-N 3.26Å; S596-G600 PolarHBondContact N-O 2.82Å; S596-G600 VanDerWaalsContact OG-CA 3.27Å; S596-G600 WeakPolarHBondContact OG-CA 3.26Å; S596-G600 PolarHBondContact OG-N 2.82Å; S596-G600 PolarHBondContact OG-O 2.88Å; S596-W602 PolarHBondContact OG-NE1 3.06Å
597E92.9Very high87.8Confident99 Ų9927.9 Ų27.946%0.46314%0.136SC..THydrogen-bonded Turntrans-66.7-22.9-177.7-173.9168.8-169.100113.9S325 A578 N579 T581 G599S325-E597 WeakPolarHBondContact CA-O 3.13Å; S325-E597 VanDerWaalsContact CB-O 3.24Å; S325-E597 WeakPolarHBondContact CB-O 2.91Å; S325-E597 PolarHBondContact N-O 2.98Å; A578-E597 HydrophobicContact CB-CB 4.36Å; N579-E597 HydrophobicContact CB-CB 4.46Å; N579-E597 PolarHBondContact ND2-OE2 3.07Å; N579-E597 PolarHBondContact O-N 3.24Å; T581-E597 HydrophobicContact CG2-CB 4.18Å; E597-G599 VanDerWaalsContact C-N 3.26Å; E597-G599 PolarHBondContact O-N 3.24Å
598D90.6Very high88.5Confident18 Ų1829.3 Ų29.310%0.09614%0.141CC..THydrogen-bonded Turntrans-82.75.1176.462.8-2.8000114.2G39 A578 S596 G600G39-D598 WeakPolarHBondContact CA-OD2 3.37Å; G39-D598 PolarHBondContact N-OD2 2.82Å; G39-D598 VanDerWaalsContact N-OD2 3.09Å; A578-D598 HydrophobicContact CB-CB 3.81Å; S596-D598 WeakPolarHBondContact CB-OD1 3.4Å; S596-D598 PolarHBondContact O-N 3.37Å; S596-D598 PolarHBondContact OG-OD1 2.95Å; D598-G600 PolarHBondContact OD1-N 2.91Å
599G92.2Very high88.3Confident1 Ų129.6 Ų29.61%0.0114%0.142CC..SBendtrans89.8-0.9-178.700000114.5S324 S596 E597S324-G599 WeakPolarHBondContact O-CA 3.37Å; S596-G599 PolarHBondContact O-N 3.26Å; E597-G599 VanDerWaalsContact C-N 3.26Å; E597-G599 PolarHBondContact O-N 3.24Å
600G93.5Very high88Confident0 Ų029.8 Ų29.80%015%0.152CC..  trans-70.2142175.900000113.5A595 S596 D598A595-G600 WeakPolarHBondContact CA-O 3.46Å; S596-G600 PolarHBondContact N-O 2.82Å; S596-G600 VanDerWaalsContact OG-CA 3.27Å; S596-G600 WeakPolarHBondContact OG-CA 3.26Å; S596-G600 PolarHBondContact OG-N 2.82Å; S596-G600 PolarHBondContact OG-O 2.88Å; D598-G600 PolarHBondContact OD1-N 2.91Å
601I95Very high86.6Confident0 Ų031.5 Ų31.50%018%0.182CC..EExtended strand (participates in β ladder)trans-124.6120.1169.1-52.3157.6000107.8I15 V326 F339 T341 W350 V593I15-I601 HydrophobicContact CB-CB 4.17Å; I15-I601 HydrophobicContact CB-CD1 4.46Å; I15-I601 PolarHBondContact N-O 2.66Å; I15-I601 PolarHBondContact O-N 3.3Å; V326-I601 HydrophobicContact CG2-CG1 4.34Å; F339-I601 HydrophobicContact CE2-CD1 4.39Å; F339-I601 HydrophobicContact CE2-CG2 3.84Å; F339-I601 HydrophobicContact CZ-CG2 4.1Å; T341-I601 HydrophobicContact CG2-CD1 3.77Å; T341-I601 HydrophobicContact CG2-CG1 4.33Å; W350-I601 HydrophobicContact CZ2-CD1 3.95Å; V593-I601 HydrophobicContact CG1-CG2 3.69Å
602W93.8Very high86.5Confident1 Ų132.3 Ų32.30%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-109.7127.5-176.1-53.569.7000109.3L11 L14 L38 F41 F54 I574 A576 V593 S594 S596 W604L11-W602 HydrophobicContact CD1-CB 4.38Å; L11-W602 HydrophobicContact CD1-CE3 3.77Å; L11-W602 HydrophobicContact CD2-CE3 4.16Å; L11-W602 HydrophobicContact CD2-CZ3 4.11Å; L14-W602 HydrophobicContact CD1-CD2 3.57Å; L14-W602 VanDerWaalsContact CD1-CE2 3.5Å; L14-W602 HydrophobicContact CD1-CE3 3.98Å; L14-W602 HydrophobicContact CD1-CG 3.95Å; L14-W602 HydrophobicContact CD1-CH2 4.21Å; L14-W602 HydrophobicContact CD1-CZ2 3.83Å; L14-W602 HydrophobicContact CD1-CZ3 4.29Å; L14-W602 HydrophobicContact CD2-CH2 4.12Å; L14-W602 HydrophobicContact CD2-CZ2 4.34Å; L14-W602 HydrophobicContact CD2-CZ3 4.35Å; L38-W602 HydrophobicContact CD2-CZ2 4.38Å; F41-W602 HydrophobicContact CD2-CH2 4.02Å; F41-W602 HydrophobicContact CD2-CZ2 4.43Å; F41-W602 HydrophobicContact CE2-CH2 4.03Å; F54-W602 HydrophobicContact CD1-CH2 4.28Å; F54-W602 AromaticContact CE1-CH2 3.7Å; F54-W602 HydrophobicContact CE1-CH2 3.7Å; F54-W602 AromaticContact CE1-CZ3 3.85Å; F54-W602 HydrophobicContact CE1-CZ3 3.85Å; F54-W602 HydrophobicContact CE2-CZ3 4.26Å; F54-W602 AromaticContact CZ-CH2 3.99Å; F54-W602 HydrophobicContact CZ-CH2 3.99Å; F54-W602 AromaticContact CZ-CZ3 3.62Å; F54-W602 HydrophobicContact CZ-CZ3 3.62Å; I574-W602 HydrophobicContact CD1-CZ3 4.33Å; A576-W602 HydrophobicContact CB-CD2 4.29Å; A576-W602 HydrophobicContact CB-CZ2 4.11Å; A576-W602 VanDerWaalsContact O-CZ2 3.25Å; A576-W602 WeakPolarHBondContact O-CZ2 3.41Å; V593-W602 WeakPolarHBondContact CA-O 3.33Å; S594-W602 PolarHBondContact N-O 3.41Å; S594-W602 PolarHBondContact O-N 2.94Å; S594-W602 WeakPolarHBondContact OG-CB 3.38Å; S596-W602 PolarHBondContact OG-NE1 3.06Å; W602-W604 HydrophobicContact CB-CZ2 3.77Å; W602-W604 HydrophobicContact CD2-CZ2 4.13Å; W602-W604 AromaticContact CE3-CH2 3.93Å; W602-W604 HydrophobicContact CE3-CH2 3.93Å; W602-W604 AromaticContact CE3-CZ2 3.77Å; W602-W604 HydrophobicContact CE3-CZ2 3.77Å; W602-W604 HydrophobicContact CG-CZ2 4.18Å
603L92.9Very high86.3Confident0 Ų033.9 Ų33.90%020%0.197CC..EExtended strand (participates in β ladder)trans-107.6121.8177.7-60.2178.5000108.4L11 D12 A13 F339 V352 P355 I591 L592 V593L11-L603 WeakPolarHBondContact CD1-O 3.08Å; D12-L603 WeakPolarHBondContact CA-O 3.45Å; D12-L603 HydrophobicContact CB-CB 4.48Å; D12-L603 WeakPolarHBondContact CB-O 3.34Å; D12-L603 PolarHBondContact N-O 3.07Å; A13-L603 HydrophobicContact CB-CB 4.26Å; A13-L603 HydrophobicContact CB-CD1 4.13Å; A13-L603 PolarHBondContact N-O 3.14Å; A13-L603 VanDerWaalsContact N-O 3.14Å; A13-L603 PolarHBondContact O-N 3.48Å; F339-L603 HydrophobicContact CE1-CD1 4.25Å; F339-L603 HydrophobicContact CE1-CD2 4.01Å; F339-L603 HydrophobicContact CZ-CD1 4.49Å; F339-L603 HydrophobicContact CZ-CD2 4.04Å; V352-L603 HydrophobicContact CG1-CD1 4.15Å; V352-L603 HydrophobicContact CG1-CD2 4.48Å; P355-L603 HydrophobicContact CB-CD1 4.49Å; I591-L603 HydrophobicContact CG2-CD2 4.14Å; L592-L603 CarbonylContact O-C 3.6Å; L592-L603 WeakPolarHBondContact O-CA 3.38Å; V593-L603 HydrophobicContact CB-CD2 4.17Å; V593-L603 HydrophobicContact CG1-CD2 3.93Å; V593-L603 HydrophobicContact CG2-CD2 3.62Å
604W92.3Very high85.9Confident0 Ų035.8 Ų35.80%021%0.207CC..EExtended strand (participates in β ladder)trans-119152.8-179.6-40.777.8000110.7L9 E10 L11 M559 I574 I591 L592 S594 W602L9-W604 HydrophobicContact CB-CE3 3.98Å; E10-W604 WeakPolarHBondContact O-CA 3.17Å; L11-W604 HydrophobicContact CB-CE3 3.89Å; L11-W604 HydrophobicContact CB-CH2 4.45Å; L11-W604 HydrophobicContact CB-CZ3 3.7Å; L11-W604 HydrophobicContact CD1-CD2 3.98Å; L11-W604 HydrophobicContact CD1-CE3 3.82Å; L11-W604 HydrophobicContact CD1-CH2 3.78Å; L11-W604 HydrophobicContact CD1-CZ2 3.99Å; L11-W604 HydrophobicContact CD1-CZ3 3.73Å; L11-W604 HydrophobicContact CG-CE3 4.5Å; L11-W604 HydrophobicContact CG-CZ3 4.26Å; M559-W604 HydrophobicContact CE-CB 4.14Å; M559-W604 HydrophobicContact CE-CD2 4.17Å; M559-W604 HydrophobicContact CE-CG 3.56Å; I574-W604 HydrophobicContact CD1-CH2 4.28Å; I574-W604 HydrophobicContact CG1-CH2 3.44Å; I574-W604 VanDerWaalsContact CG1-CH2 3.44Å; I574-W604 HydrophobicContact CG1-CZ3 3.81Å; I591-W604 CarbonylContact C-O 3.59Å; I591-W604 WeakPolarHBondContact CA-O 3.1Å; L592-W604 HydrophobicContact CB-CB 4.03Å; L592-W604 HydrophobicContact CB-CG 4.47Å; L592-W604 HydrophobicContact CD1-CB 4.43Å; L592-W604 PolarHBondContact N-O 2.84Å; L592-W604 PolarHBondContact O-N 2.84Å; S594-W604 PolarHBondContact OG-NE1 3.25Å; W602-W604 HydrophobicContact CB-CZ2 3.77Å; W602-W604 HydrophobicContact CD2-CZ2 4.13Å; W602-W604 AromaticContact CE3-CH2 3.93Å; W602-W604 HydrophobicContact CE3-CH2 3.93Å; W602-W604 AromaticContact CE3-CZ2 3.77Å; W602-W604 HydrophobicContact CE3-CZ2 3.77Å; W602-W604 HydrophobicContact CG-CZ2 4.18Å
605K90.5Very high85.4Confident81 Ų8137.9 Ų37.935%0.35222%0.219SC..EExtended strand (participates in β ladder)trans-78.4127.8171.3-61.5-174.5-172.8162.80109.7E10 D12 R590 P607E10-K605 HydrophobicContact CB-CB 4.42Å; E10-K605 HydrophobicContact CG-CD 4.37Å; E10-K605 PolarHBondContact O-N 3.29Å; E10-K605 IonicContact OE1-NZ 3.73Å; E10-K605 PolarHBondContact OE1-NZ 2.93Å; E10-K605 IonicContact OE2-NZ 3.51Å; D12-K605 HydrophobicContact CB-CG 4.08Å; D12-K605 WeakPolarHBondContact OD1-CE 3.39Å; D12-K605 IonicContact OD1-NZ 3.44Å; R590-K605 CarbonylContact O-C 3.58Å; R590-K605 WeakPolarHBondContact O-CA 3.21Å; K605-P607 WeakPolarHBondContact O-CD 3.06Å
606F88.9Confident84.7Confident11 Ų1140.3 Ų40.35%0.04823%0.233CC..  trans-72.3122.3172.9-173.9-116.5000108.9T544 H549 V561 I585 R590 L592 H608T544-F606 HydrophobicContact CG2-CE2 4.27Å; T544-F606 HydrophobicContact CG2-CZ 3.85Å; H549-F606 HydrophobicContact CB-CE2 4.49Å; H549-F606 HydrophobicContact CB-CZ 4.08Å; V561-F606 HydrophobicContact CG1-CE2 4.22Å; I585-F606 HydrophobicContact CG2-CD2 4.32Å; I585-F606 HydrophobicContact CG2-CE2 4.45Å; R590-F606 HydrophobicContact CB-CB 4.05Å; R590-F606 PolarHBondContact O-N 3.4Å; L592-F606 HydrophobicContact CD1-CD2 4.09Å; L592-F606 HydrophobicContact CD2-CB 4.49Å; L592-F606 HydrophobicContact CD2-CD2 3.69Å; L592-F606 HydrophobicContact CD2-CE2 4.41Å; L592-F606 HydrophobicContact CD2-CG 4.46Å; L592-F606 HydrophobicContact CG-CB 4.2Å; L592-F606 HydrophobicContact CG-CD2 3.99Å; F606-H608 HydrophobicContact CD1-CB 4.4Å; F606-H608 WeakPolarHBondContact CD1-O 3.19Å; F606-H608 HydrophobicContact CE1-CB 3.71Å; F606-H608 WeakPolarHBondContact CE1-O 3.16Å; F606-H608 HydrophobicContact CZ-CB 3.94Å
607P85.9Confident84.1Confident50 Ų5042.9 Ų42.933%0.32525%0.249SC..  trans-78.6-23.8-167.428.3-34.3000113.6L9 H571 K605L9-P607 HydrophobicContact CD2-CG 3.93Å; H571-P607 HydrophobicContact CB-CG 4.39Å; H571-P607 VanDerWaalsContact CE1-CG 3.42Å; H571-P607 WeakPolarHBondContact CE1-CG 3.37Å; H571-P607 WeakPolarHBondContact ND1-CG 3.36Å; H571-P607 VanDerWaalsContact NE2-CB 3.32Å; H571-P607 WeakPolarHBondContact NE2-CB 3.47Å; K605-P607 WeakPolarHBondContact O-CD 3.06Å
608H81.1Confident83.5Confident48 Ų4838.9 Ų38.922%0.22223%0.233CC..SBendtrans-89.8138-177.7-59.4-70.5000110.9H549 T570 H571 F606H549-H608 AromaticContact CD2-CD2 3.8Å; H549-H608 AromaticContact CD2-CG 3.94Å; H549-H608 AromaticContact CE1-CD2 3.57Å; H549-H608 AromaticContact CE1-CE1 3.92Å; H549-H608 AromaticContact CE1-CG 3.9Å; H549-H608 AromaticContact CE1-NE2 3.62Å; H549-H608 AromaticContact ND1-CD2 3.87Å; H549-H608 AromaticContact NE2-CD2 3.49Å; H549-H608 PolarHBondContact NE2-CD2 3.46Å; H549-H608 AromaticContact NE2-CG 3.44Å; H549-H608 AromaticContact NE2-ND1 3.85Å; H549-H608 AromaticContact NE2-NE2 3.97Å; T570-H608 PolarHBondContact OG1-NE2 2.74Å; H571-H608 AromaticContact CE1-CE1 3.74Å; H571-H608 AromaticContact CE1-NE2 3.55Å; H571-H608 AromaticContact ND1-NE2 3.64Å; F606-H608 HydrophobicContact CD1-CB 4.4Å; F606-H608 WeakPolarHBondContact CD1-O 3.19Å; F606-H608 HydrophobicContact CE1-CB 3.71Å; F606-H608 WeakPolarHBondContact CE1-O 3.16Å; F606-H608 HydrophobicContact CZ-CB 3.94Å
609L65.4Low82.9Confident119 Ų11940.5 Ų40.562%0.62324%0.244SC*.PPolyproline II helixtrans-69.4136171.9-57172.1000108S611L609-S611 PolarHBondContact O-N 3.33Å
610A58.6Low82.2Confident61 Ų6143.8 Ų43.850%0.50426%0.264SS..PPolyproline II helixtrans-61.9119.4164.400000107.2
611S48.1Very low81.1Confident155 Ų15547.8 Ų47.8100%1.08429%0.287SS*.  trans-73.30174.654.60000111.9L609L609-S611 PolarHBondContact O-N 3.33Å

Retrieved 611 of 611 residues in 1107 ms (Link to these results)

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