A0A077YVX2_TRITR Loading...

Translation initiation factor eIF2B subunit epsilon

AlphaFold DB , UniProt , Accession A0A077YVX2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 654 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M36Very low60.7Low241 Ų241125.5 Ų125.5100%1.18761%0.605SS**  0104.60-79.3-169.8-107.800107E3M1-E3 PolarHBondContact O-N 3.16Å; M1-E3 VanDerWaalsContact O-N 3.16Å
2S35.5Very low63.6Low121 Ų121115.1 Ų115.185%0.84656%0.555SS**  trans-70.6106.6173.2-34.40000106.4K4S2-K4 PolarHBondContact O-N 2.93Å
3E35.7Very low66.1Low184 Ų184106.2 Ų106.286%0.8651%0.512SS*.  trans-51111.2168-78.6175.8156.400107M1 K5M1-E3 PolarHBondContact O-N 3.16Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-K5 VanDerWaalsContact C-N 3.26Å; E3-K5 PolarHBondContact O-N 2.83Å
4K44.6Very low68.1Low201 Ų20198.6 Ų98.687%0.87448%0.476SS*.  trans-61.699168.9-84-179.5173.81780105S2 E6S2-K4 PolarHBondContact O-N 2.93Å; K4-E6 PolarHBondContact O-N 3.23Å
5K52.1Low69.6Low203 Ų20392.2 Ų92.288%0.88345%0.445SS*.  trans-46114171.3-86.5-177.2172.4-179.30107.2E3 Q7E3-K5 VanDerWaalsContact C-N 3.26Å; E3-K5 PolarHBondContact O-N 2.83Å; K5-Q7 PolarHBondContact O-N 2.96Å
6E57.3Low70.6Confident180 Ų18087.8 Ų87.884%0.84143%0.425SS*.  trans-54.1127.6172.1-87.9179.2150.500108.1K4 K8K4-E6 PolarHBondContact O-N 3.23Å; E6-K8 VanDerWaalsContact C-N 3.34Å; E6-K8 PolarHBondContact O-N 2.91Å
7Q65.2Low70.8Confident113 Ų11384.2 Ų84.253%0.52841%0.411SS..  trans-71.894.9-176.7-148.8172.11.200106.8K5 T109K5-Q7 PolarHBondContact O-N 2.96Å; Q7-T109 HydrophobicContact CG-CG2 4.18Å; Q7-T109 VanDerWaalsContact NE2-CG2 3.35Å
8K72.5Confident71.2Confident107 Ų10782.3 Ų82.347%0.46540%0.4SS..  trans-64.3140.8-179.7-73.8-170.1175.4-1160110.3E6 D51 A53E6-K8 VanDerWaalsContact C-N 3.34Å; E6-K8 PolarHBondContact O-N 2.91Å; K8-D51 IonicContact NZ-OD1 3.24Å; K8-D51 PolarHBondContact NZ-OD1 2.72Å; K8-D51 IonicContact NZ-OD2 3.51Å; K8-D51 PolarHBondContact NZ-OD2 3.43Å; K8-A53 HydrophobicContact CB-CB 3.47Å; K8-A53 VanDerWaalsContact CB-CB 3.47Å; K8-A53 HydrophobicContact CD-CB 4.42Å
9L81.7Confident71.4Confident14 Ų1479 Ų797%0.07338%0.384CS..EExtended strand (participates in β ladder)trans-61.1144.3-177.1-93.8117.4000112.8I50 L52 A53 L112 F128L9-I50 HydrophobicContact CD1-CG2 4.25Å; L9-L52 HydrophobicContact CB-CD2 3.47Å; L9-L52 VanDerWaalsContact CB-CD2 3.47Å; L9-L52 HydrophobicContact CD2-CD2 4.22Å; L9-L52 HydrophobicContact CG-CD2 4.36Å; L9-L52 CarbonylContact O-C 3.46Å; L9-L52 WeakPolarHBondContact O-CA 3.33Å; L9-A53 PolarHBondContact O-N 3.48Å; L9-L112 HydrophobicContact CD2-CB 4.38Å; L9-F128 HydrophobicContact CD1-CB 4.03Å; L9-F128 HydrophobicContact CD1-CD1 3.18Å; L9-F128 HydrophobicContact CD1-CD2 4.11Å; L9-F128 HydrophobicContact CD1-CE1 3.48Å; L9-F128 VanDerWaalsContact CD1-CE1 3.48Å; L9-F128 HydrophobicContact CD1-CE2 4.4Å; L9-F128 HydrophobicContact CD1-CG 3.51Å; L9-F128 HydrophobicContact CD1-CZ 4.12Å; L9-F128 HydrophobicContact CD2-CB 4.16Å; L9-F128 HydrophobicContact CD2-CD1 4.09Å; L9-F128 HydrophobicContact CD2-CD2 3.38Å; L9-F128 HydrophobicContact CD2-CE1 4.28Å; L9-F128 HydrophobicContact CD2-CE2 3.67Å; L9-F128 HydrophobicContact CD2-CG 3.61Å; L9-F128 HydrophobicContact CD2-CZ 4.12Å; L9-F128 HydrophobicContact CG-CB 4.45Å; L9-F128 HydrophobicContact CG-CD1 3.53Å; L9-F128 HydrophobicContact CG-CD2 3.66Å; L9-F128 HydrophobicContact CG-CE1 3.43Å; L9-F128 VanDerWaalsContact CG-CE1 3.43Å; L9-F128 HydrophobicContact CG-CE2 3.63Å; L9-F128 HydrophobicContact CG-CG 3.61Å; L9-F128 HydrophobicContact CG-CZ 3.52Å
10V92.7Very high71.4Confident17 Ų1782.5 Ų82.510%0.10339%0.394CS..EExtended strand (participates in β ladder)trans-107.6142.8162176.50000108.3H54 F56 F111 L112V10-H54 WeakPolarHBondContact CA-O 3.32Å; V10-F56 HydrophobicContact CG1-CD2 3.61Å; V10-F56 HydrophobicContact CG1-CE2 3.59Å; V10-F111 HydrophobicContact CB-CB 4.19Å; V10-F111 HydrophobicContact CG1-CB 4.41Å; V10-F111 CarbonylContact O-C 3.27Å; V10-F111 WeakPolarHBondContact O-CA 3.46Å; V10-F111 WeakPolarHBondContact O-CB 3.49Å; V10-L112 PolarHBondContact O-N 3.36Å
11A94.6Very high71.4Confident0 Ų080.1 Ų80.10%038%0.382CS..EExtended strand (participates in β ladder)trans-116.8142.3170.800000110.8L47 L52 H54 V55 F56 L112A11-L47 HydrophobicContact CB-CD2 3.81Å; A11-L52 HydrophobicContact CB-CD1 3.95Å; A11-L52 HydrophobicContact CB-CD2 4.14Å; A11-H54 PolarHBondContact N-O 3.25Å; A11-V55 HydrophobicContact CB-CG1 4.47Å; A11-V55 HydrophobicContact CB-CG2 4.37Å; A11-V55 CarbonylContact O-C 3.53Å; A11-V55 WeakPolarHBondContact O-CA 3.34Å; A11-F56 PolarHBondContact O-N 3.49Å; A11-L112 CarbonylContact C-O 3.52Å; A11-L112 WeakPolarHBondContact CA-O 3.25Å; A11-L112 HydrophobicContact CB-CB 4.37Å
12V95.7Very high73.3Confident0 Ų068.7 Ų68.70%033%0.325CS..EExtended strand (participates in β ladder)trans-119.3108.2172.7-178.60000107F56 V58 L101 I107 F111 L112 F113 F114V12-F56 CarbonylContact C-O 3.59Å; V12-F56 WeakPolarHBondContact CA-O 3.3Å; V12-F56 HydrophobicContact CG2-CB 4.39Å; V12-V58 HydrophobicContact CG1-CG2 4Å; V12-L101 HydrophobicContact CG1-CD1 3.91Å; V12-I107 HydrophobicContact CG2-CD1 3.81Å; V12-I107 HydrophobicContact CG2-CG1 4.32Å; V12-F111 HydrophobicContact CB-CD2 4.1Å; V12-F111 HydrophobicContact CB-CE2 4.45Å; V12-F111 HydrophobicContact CG2-CD2 3.6Å; V12-F111 HydrophobicContact CG2-CE2 4.12Å; V12-F111 HydrophobicContact CG2-CG 4.33Å; V12-L112 PolarHBondContact N-O 3.35Å; V12-F113 HydrophobicContact CB-CD2 4.15Å; V12-F113 HydrophobicContact CG1-CD2 3.95Å; V12-F113 HydrophobicContact CG1-CE2 4.4Å; V12-F113 WeakPolarHBondContact O-CA 3.44Å; V12-F114 PolarHBondContact O-N 3.06Å
13L95.6Very high74.8Confident0 Ų065.5 Ų65.50%031%0.306CS..EExtended strand (participates in β ladder)trans-102117.1178.9176.157.9000109.3A43 L44 L47 F56 I57 V58 F114L13-A43 HydrophobicContact CD1-CB 4.29Å; L13-A43 HydrophobicContact CD2-CB 4.22Å; L13-L44 HydrophobicContact CD2-CD2 4.48Å; L13-L47 HydrophobicContact CD2-CD1 4.25Å; L13-F56 PolarHBondContact N-O 3.36Å; L13-I57 HydrophobicContact CB-CG1 4.47Å; L13-I57 HydrophobicContact CD2-CG1 4.47Å; L13-I57 WeakPolarHBondContact O-CA 3.45Å; L13-V58 PolarHBondContact O-N 3.37Å; L13-F114 HydrophobicContact CB-CE1 4.49Å; L13-F114 HydrophobicContact CD1-CD1 4.49Å; L13-F114 HydrophobicContact CD1-CD2 3.88Å; L13-F114 HydrophobicContact CD1-CE1 4.13Å; L13-F114 HydrophobicContact CD1-CE2 3.52Å; L13-F114 HydrophobicContact CD1-CG 4.37Å; L13-F114 HydrophobicContact CD1-CZ 3.65Å
14L94.4Very high76.2Confident0 Ų058.6 Ų58.60%028%0.277CS..EExtended strand (participates in β ladder)trans-85.7110.9173.6178.363.2000109.8D16 F18 V58 I94 V97 F113 F114 S115 C116L14-D16 VanDerWaalsContact C-N 3.27Å; L14-D16 WeakPolarHBondContact CD1-O 3.45Å; L14-D16 WeakPolarHBondContact CD2-O 3.24Å; L14-D16 WeakPolarHBondContact CG-O 3.5Å; L14-D16 PolarHBondContact O-N 2.92Å; L14-F18 HydrophobicContact CD1-CE2 4.12Å; L14-F18 HydrophobicContact CD1-CZ 4.44Å; L14-F18 HydrophobicContact CD2-CD2 4.2Å; L14-F18 HydrophobicContact CD2-CE2 3.89Å; L14-V58 HydrophobicContact CD1-CB 3.97Å; L14-V58 HydrophobicContact CD1-CG1 3.87Å; L14-I94 HydrophobicContact CD2-CG1 3.97Å; L14-V97 HydrophobicContact CD1-CG1 4.48Å; L14-V97 HydrophobicContact CD1-CG2 4.06Å; L14-F113 HydrophobicContact CB-CE2 4.18Å; L14-F113 HydrophobicContact CB-CZ 4.45Å; L14-F113 HydrophobicContact CD2-CZ 4.35Å; L14-F114 PolarHBondContact N-O 2.87Å; L14-S115 CarbonylContact O-C 3.57Å; L14-S115 WeakPolarHBondContact O-CA 3.3Å; L14-C116 PolarHBondContact O-N 3.4Å
15A90.9Very high77.5Confident2 Ų249 Ų492%0.01724%0.235CC..SBendtrans-71.4-20.1-174.500000114.3S30 I57 V58 L59 V66A15-S30 WeakPolarHBondContact O-CB 3.43Å; A15-S30 PolarHBondContact O-N 3.31Å; A15-S30 PolarHBondContact O-OG 3.15Å; A15-I57 HydrophobicContact CB-CG2 4.26Å; A15-V58 WeakPolarHBondContact CB-O 3.39Å; A15-V58 PolarHBondContact N-O 3.33Å; A15-L59 HydrophobicContact CB-CD2 3.73Å; A15-V66 HydrophobicContact CB-CG1 4.18Å
16D84.9Confident78.7Confident22 Ų2244.6 Ų44.612%0.11822%0.216CC..  trans-134.7122.2176.3-165.65.6000110.1L14 F18 T29 T60L14-D16 VanDerWaalsContact C-N 3.27Å; L14-D16 WeakPolarHBondContact CD1-O 3.45Å; L14-D16 WeakPolarHBondContact CD2-O 3.24Å; L14-D16 WeakPolarHBondContact CG-O 3.5Å; L14-D16 PolarHBondContact O-N 2.92Å; D16-F18 PolarHBondContact O-N 3.24Å; D16-F18 VanDerWaalsContact O-N 3.15Å; D16-T29 PolarHBondContact OD1-OG1 3.44Å; D16-T60 VanDerWaalsContact CB-OG1 3.27Å; D16-T60 WeakPolarHBondContact CB-OG1 3.5Å
17S74.7Confident79.7Confident27 Ų2738.5 Ų38.519%0.18919%0.187CC..  trans-80.613.9-17458.10000113.7N19S17-N19 PolarHBondContact O-N 2.98Å; S17-N19 VanDerWaalsContact O-N 3.09Å; S17-N19 VanDerWaalsContact OG-CB 3.3Å; S17-N19 WeakPolarHBondContact OG-CB 3.32Å
18F78.5Confident80.6Confident49 Ų4933.2 Ų33.222%0.21516%0.162CC..  trans51.531.5-173-52.9-73.6000112.8L14 D16 Y20 T60 C91 L92 S93 I94 V97L14-F18 HydrophobicContact CD1-CE2 4.12Å; L14-F18 HydrophobicContact CD1-CZ 4.44Å; L14-F18 HydrophobicContact CD2-CD2 4.2Å; L14-F18 HydrophobicContact CD2-CE2 3.89Å; D16-F18 PolarHBondContact O-N 3.24Å; D16-F18 VanDerWaalsContact O-N 3.15Å; F18-Y20 PolarHBondContact O-N 3.07Å; F18-Y20 VanDerWaalsContact O-N 3.16Å; F18-T60 HydrophobicContact CE1-CG2 3.78Å; F18-T60 HydrophobicContact CZ-CG2 3.65Å; F18-C91 HydrophobicContact CE1-CB 4.45Å; F18-C91 VanDerWaalsContact CE1-O 3.24Å; F18-C91 WeakPolarHBondContact CE1-O 3.22Å; F18-C91 HydrophobicContact CZ-CB 4.14Å; F18-L92 WeakPolarHBondContact CD1-O 3.41Å; F18-L92 WeakPolarHBondContact CG-O 3.37Å; F18-S93 VanDerWaalsContact CE2-O 3.24Å; F18-S93 WeakPolarHBondContact CE2-O 3.47Å; F18-I94 HydrophobicContact CD2-CG1 4.17Å; F18-I94 HydrophobicContact CE2-CG1 4.42Å; F18-V97 HydrophobicContact CE2-CG2 3.77Å; F18-V97 HydrophobicContact CZ-CG2 3.61Å
19N73.7Confident81.2Confident20 Ų2028.1 Ų28.111%0.10714%0.14CC..  trans-87.995.5-172-173.7-12.4000110.4S17 R21 L22 A23 R273S17-N19 PolarHBondContact O-N 2.98Å; S17-N19 VanDerWaalsContact O-N 3.09Å; S17-N19 VanDerWaalsContact OG-CB 3.3Å; S17-N19 WeakPolarHBondContact OG-CB 3.32Å; N19-R21 PolarHBondContact O-N 3.29Å; N19-R21 VanDerWaalsContact OD1-CB 3.28Å; N19-R21 WeakPolarHBondContact OD1-CB 3.31Å; N19-R21 PolarHBondContact OD1-N 2.95Å; N19-L22 PolarHBondContact O-N 2.83Å; N19-L22 VanDerWaalsContact O-N 3.13Å; N19-A23 WeakPolarHBondContact O-CB 3.22Å; N19-A23 PolarHBondContact O-N 2.78Å; N19-R273 PolarHBondContact ND2-O 3.18Å
20Y71.2Confident81.6Confident149 Ų14927.5 Ų27.558%0.58414%0.137SC*.THydrogen-bonded Turntrans-54.7-26179.169-85.9000113.6F18F18-Y20 PolarHBondContact O-N 3.07Å; F18-Y20 VanDerWaalsContact O-N 3.16Å
21R71.5Confident81.5Confident33 Ų3327.5 Ų27.513%0.12514%0.136CC..THydrogen-bonded Turntrans-68.6-41.4-179.4-55.5178-174147.22.7111.4N19 T24 L160 H161 F275N19-R21 PolarHBondContact O-N 3.29Å; N19-R21 VanDerWaalsContact OD1-CB 3.28Å; N19-R21 WeakPolarHBondContact OD1-CB 3.31Å; N19-R21 PolarHBondContact OD1-N 2.95Å; R21-T24 PolarHBondContact O-OG1 2.98Å; R21-L160 VanDerWaalsContact CZ-CD1 3.45Å; R21-H161 PolarHBondContact NH1-NE2 3.14Å; R21-F275 VanDerWaalsContact O-CE2 3.29Å; R21-F275 WeakPolarHBondContact O-CE2 3.05Å; R21-F275 VanDerWaalsContact O-CZ 3.28Å; R21-F275 WeakPolarHBondContact O-CZ 3.19Å
22L77.5Confident81.3Confident0 Ų027.5 Ų27.50%014%0.136CC..THydrogen-bonded Turntrans-90.3-21.6-178.8-61.5177.5000112.6N19 T24 L25 T29 L32 V272 F275 W278N19-L22 PolarHBondContact O-N 2.83Å; N19-L22 VanDerWaalsContact O-N 3.13Å; L22-T24 PolarHBondContact O-N 3.24Å; L22-L25 PolarHBondContact O-N 2.7Å; L22-T29 HydrophobicContact CD1-CG2 3.88Å; L22-L32 HydrophobicContact CB-CD1 4.02Å; L22-L32 HydrophobicContact CD1-CD1 4.14Å; L22-L32 HydrophobicContact CD2-CD1 4.47Å; L22-L32 HydrophobicContact CG-CD1 4.44Å; L22-V272 HydrophobicContact CD1-CG1 4.12Å; L22-F275 HydrophobicContact CD2-CD1 4.11Å; L22-F275 HydrophobicContact CD2-CE1 3.89Å; L22-F275 HydrophobicContact CD2-CE2 4.41Å; L22-F275 HydrophobicContact CD2-CG 4.47Å; L22-F275 HydrophobicContact CD2-CZ 4.05Å; L22-W278 HydrophobicContact CD2-CE3 4.26Å
23A67.1Low81.2Confident55 Ų5528.2 Ų28.246%0.45514%0.14SC..G310 helixtrans-57.8-20.9179.300000114.1N19 L25 K26N19-A23 WeakPolarHBondContact O-CB 3.22Å; N19-A23 PolarHBondContact O-N 2.78Å; A23-L25 PolarHBondContact O-N 3.1Å; A23-K26 PolarHBondContact O-N 2.77Å
24T65.2Low81Confident38 Ų3828.2 Ų28.223%0.23314%0.14CC..G310 helixtrans-59.9-1717954.90000114.3R21 L22 K26 F427R21-T24 PolarHBondContact O-OG1 2.98Å; L22-T24 PolarHBondContact O-N 3.24Å; T24-K26 VanDerWaalsContact C-N 3.27Å; T24-K26 PolarHBondContact O-N 3.45Å; T24-F427 VanDerWaalsContact CB-CD1 3.49Å; T24-F427 HydrophobicContact CG2-CD1 4.12Å; T24-F427 HydrophobicContact CG2-CD2 4.26Å; T24-F427 HydrophobicContact CG2-CE1 3.79Å; T24-F427 HydrophobicContact CG2-CE2 3.89Å; T24-F427 HydrophobicContact CG2-CG 4.34Å; T24-F427 HydrophobicContact CG2-CZ 3.65Å; T24-F427 VanDerWaalsContact OG1-CE1 3.23Å; T24-F427 WeakPolarHBondContact OG1-CE1 3.49Å
25L70.6Confident80.9Confident1 Ų128.2 Ų28.21%0.00514%0.14CC..G310 helixtrans-82.32.8-177.8-61.1168.4000114.1L22 A23 K27 L32 F275 W278 V408L22-L25 PolarHBondContact O-N 2.7Å; A23-L25 PolarHBondContact O-N 3.1Å; L25-K27 PolarHBondContact O-N 2.94Å; L25-L32 HydrophobicContact CB-CD2 4.33Å; L25-L32 HydrophobicContact CD1-CD1 4.22Å; L25-L32 HydrophobicContact CD1-CD2 3.55Å; L25-F275 HydrophobicContact CD1-CE1 4.38Å; L25-W278 HydrophobicContact CD1-CH2 3.92Å; L25-W278 HydrophobicContact CD1-CZ3 3.65Å; L25-V408 HydrophobicContact CD2-CG1 4.47Å
26K76.7Confident81Confident110 Ų11029.1 Ų29.148%0.47815%0.145SC..SBendtrans56.211.1-178.9-60.6178.4-177.5167.80114.5A23 T24 D428A23-K26 PolarHBondContact O-N 2.77Å; T24-K26 VanDerWaalsContact C-N 3.27Å; T24-K26 PolarHBondContact O-N 3.45Å; K26-D428 IonicContact NZ-OD1 3.18Å; K26-D428 PolarHBondContact NZ-OD1 2.98Å
27K79.5Confident81.3Confident52 Ų5228.1 Ų28.123%0.22614%0.14CC..SBendtrans-116.9147.5171-80.6-172.9172.8176.50108.9L25 M375 E376 N393L25-K27 PolarHBondContact O-N 2.94Å; K27-M375 HydrophobicContact CD-CE 4.25Å; K27-E376 IonicContact NZ-OE1 2.82Å; K27-N393 WeakPolarHBondContact CD-ND2 3.14Å; K27-N393 WeakPolarHBondContact CE-ND2 3.37Å; K27-N393 PolarHBondContact NZ-ND2 2.75Å; K27-N393 VanDerWaalsContact NZ-ND2 3.14Å; K27-N393 PolarHBondContact NZ-OD1 3.17Å; K27-N393 VanDerWaalsContact NZ-OD1 3.14Å
28P82.7Confident82.1Confident1 Ų128.6 Ų28.61%0.00614%0.139CC..  trans-63145.5174.627.5-35.2000110.2S30 L31 F61 Q62 V66P28-S30 PolarHBondContact O-N 2.84Å; P28-S30 VanDerWaalsContact O-N 3.12Å; P28-L31 HydrophobicContact CG-CB 4.06Å; P28-L31 HydrophobicContact CG-CD1 3.59Å; P28-L31 HydrophobicContact CG-CG 3.75Å; P28-L31 PolarHBondContact O-N 2.68Å; P28-F61 HydrophobicContact CB-CD1 4.04Å; P28-Q62 VanDerWaalsContact CD-OE1 3.25Å; P28-Q62 HydrophobicContact CG-CB 4.48Å; P28-V66 HydrophobicContact CB-CG2 4.33Å; P28-V66 HydrophobicContact CG-CG2 3.93Å
29T86.8Confident82.8Confident1 Ų126.3 Ų26.31%0.00613%0.129CC..G310 helixtrans-53.5-36.7-178.3-47.10000112.1D16 L22 L31 L32 L39D16-T29 PolarHBondContact OD1-OG1 3.44Å; L22-T29 HydrophobicContact CD1-CG2 3.88Å; T29-L31 PolarHBondContact O-N 3.47Å; T29-L32 HydrophobicContact CG2-CD1 4.13Å; T29-L32 WeakPolarHBondContact O-CB 3.5Å; T29-L32 WeakPolarHBondContact O-CG 3.44Å; T29-L32 PolarHBondContact O-N 3.28Å; T29-L32 VanDerWaalsContact O-N 3.1Å; T29-L39 WeakPolarHBondContact O-CD1 3.48Å
30S89.1Confident83.7Confident0 Ų025.3 Ų25.30%012%0.124CC..G310 helixtrans-56.7-28.7174.930.20000115.3A15 P28 L39 I40A15-S30 WeakPolarHBondContact O-CB 3.43Å; A15-S30 PolarHBondContact O-N 3.31Å; A15-S30 PolarHBondContact O-OG 3.15Å; P28-S30 PolarHBondContact O-N 2.84Å; P28-S30 VanDerWaalsContact O-N 3.12Å; S30-L39 PolarHBondContact O-N 2.95Å; S30-I40 WeakPolarHBondContact O-CG2 3.36Å; S30-I40 PolarHBondContact O-N 2.98Å
31L90.7Very high84.7Confident18 Ų1818.7 Ų18.79%0.09410%0.098CC..G310 helixtrans-99.512.6-178.7-61.5-179.2000112.5P28 T29 H38 I40 L65 V66 Q69P28-L31 HydrophobicContact CG-CB 4.06Å; P28-L31 HydrophobicContact CG-CD1 3.59Å; P28-L31 HydrophobicContact CG-CG 3.75Å; P28-L31 PolarHBondContact O-N 2.68Å; T29-L31 PolarHBondContact O-N 3.47Å; L31-H38 PolarHBondContact O-CD2 2.75Å; L31-I40 HydrophobicContact CD2-CG2 4.19Å; L31-L65 HydrophobicContact CD1-CB 4.05Å; L31-V66 HydrophobicContact CD1-CG2 4.43Å; L31-V66 HydrophobicContact CG-CG2 4.48Å; L31-Q69 HydrophobicContact CD2-CB 3.9Å; L31-Q69 HydrophobicContact CD2-CG 3.78Å
32L91.2Very high85.7Confident0 Ų017.2 Ų17.20%09%0.093CC..  trans-74.8133.9170-61.4178.4000109.7L22 L25 T29 L39 W278 M375L22-L32 HydrophobicContact CB-CD1 4.02Å; L22-L32 HydrophobicContact CD1-CD1 4.14Å; L22-L32 HydrophobicContact CD2-CD1 4.47Å; L22-L32 HydrophobicContact CG-CD1 4.44Å; L25-L32 HydrophobicContact CB-CD2 4.33Å; L25-L32 HydrophobicContact CD1-CD1 4.22Å; L25-L32 HydrophobicContact CD1-CD2 3.55Å; T29-L32 HydrophobicContact CG2-CD1 4.13Å; T29-L32 WeakPolarHBondContact O-CB 3.5Å; T29-L32 WeakPolarHBondContact O-CG 3.44Å; T29-L32 PolarHBondContact O-N 3.28Å; T29-L32 VanDerWaalsContact O-N 3.1Å; L32-L39 HydrophobicContact CB-CD1 4.15Å; L32-L39 PolarHBondContact O-N 2.83Å; L32-W278 HydrophobicContact CB-CH2 4.43Å; L32-W278 HydrophobicContact CB-CZ2 4.12Å; L32-W278 HydrophobicContact CD2-CH2 4.22Å; L32-M375 HydrophobicContact CD2-CE 4.38Å
33P92.4Very high86.4Confident14 Ų1417.2 Ų17.29%0.0919%0.093CC..EExtended strand (participates in β ladder)trans-83140.1-179.531.6-34.1000111.6I37 W278 M375P33-I37 CarbonylContact C-O 3.52Å; P33-I37 WeakPolarHBondContact CA-O 3.5Å; P33-W278 HydrophobicContact CG-CZ2 4.47Å; P33-W278 WeakPolarHBondContact O-CZ2 3.31Å; P33-W278 PolarHBondContact O-NE1 3.13Å; P33-M375 VanDerWaalsContact CD-CE 3.46Å; P33-M375 HydrophobicContact CG-CE 3.92Å; P33-M375 HydrophobicContact CG-CG 4.21Å
34V92.8Very high87.6Confident0 Ų014.6 Ų14.60%07%0.071CC..EExtended strand (participates in β ladder)trans-123.7116.9165.2-169.50000106.8N36 I37 L39 L42 V272 V281 N282 I285V34-N36 PolarHBondContact O-N 3.26Å; V34-I37 PolarHBondContact N-O 2.9Å; V34-I37 PolarHBondContact O-N 2.96Å; V34-L39 HydrophobicContact CG2-CD2 3.49Å; V34-L39 VanDerWaalsContact CG2-CD2 3.49Å; V34-L39 HydrophobicContact CG2-CG 3.93Å; V34-L42 HydrophobicContact CB-CD1 4.38Å; V34-V272 HydrophobicContact CG2-CG2 4.37Å; V34-V281 HydrophobicContact CG1-CG1 4.22Å; V34-N282 VanDerWaalsContact CG1-CA 3.48Å; V34-N282 HydrophobicContact CG1-CB 3.93Å; V34-I285 HydrophobicContact CB-CD1 4.16Å; V34-I285 HydrophobicContact CG1-CD1 3.5Å; V34-I285 VanDerWaalsContact CG1-CD1 3.5Å; V34-I285 HydrophobicContact CG1-CG1 4.36Å
35A92.3Very high88.7Confident0 Ų015 Ų150%07%0.071CC..THydrogen-bonded Turntrans51.342.2-170.700000112.5I37 N282 I285 I286 P295 V339A35-I37 PolarHBondContact O-N 3.4Å; A35-N282 WeakPolarHBondContact CA-OD1 3.36Å; A35-N282 PolarHBondContact N-OD1 2.88Å; A35-I285 HydrophobicContact CB-CB 4.45Å; A35-I285 HydrophobicContact CB-CG2 3.87Å; A35-I286 HydrophobicContact CB-CG1 4.01Å; A35-P295 HydrophobicContact CB-CG 3.76Å; A35-V339 HydrophobicContact CB-CG2 4.43Å
36N91.4Very high89.6Confident21 Ų2115.4 Ų15.411%0.1127%0.072CC..THydrogen-bonded Turntrans64.311.5-174.6-63-15.6000116V34 Y312 T356 I357V34-N36 PolarHBondContact O-N 3.26Å; N36-Y312 PolarHBondContact ND2-OH 2.86Å; N36-T356 WeakPolarHBondContact OD1-CG2 3.41Å; N36-I357 PolarHBondContact ND2-O 2.88Å
37I91.6Very high90.2Very high1 Ų110.1 Ų10.11%0.0055%0.049CC..EExtended strand (participates in β ladder)trans-106.4132.2174.3-54.4164.4000108.7P33 V34 A35 D41 L42 W298 F300P33-I37 CarbonylContact C-O 3.52Å; P33-I37 WeakPolarHBondContact CA-O 3.5Å; V34-I37 PolarHBondContact N-O 2.9Å; V34-I37 PolarHBondContact O-N 2.96Å; A35-I37 PolarHBondContact O-N 3.4Å; I37-D41 HydrophobicContact CG2-CB 4.13Å; I37-L42 HydrophobicContact CB-CG 4.49Å; I37-L42 HydrophobicContact CD1-CD2 4.47Å; I37-L42 HydrophobicContact CG2-CD2 3.96Å; I37-L42 HydrophobicContact CG2-CG 3.85Å; I37-W298 HydrophobicContact CD1-CB 3.83Å; I37-W298 HydrophobicContact CD1-CD2 3.75Å; I37-W298 HydrophobicContact CD1-CE3 4Å; I37-W298 HydrophobicContact CD1-CG 3.64Å; I37-W298 HydrophobicContact CG1-CB 4.39Å; I37-W298 HydrophobicContact CG1-CD2 4.15Å; I37-W298 HydrophobicContact CG1-CG 3.89Å; I37-W298 HydrophobicContact CG2-CD2 3.9Å; I37-W298 HydrophobicContact CG2-CE3 4.38Å; I37-W298 HydrophobicContact CG2-CG 4.4Å; I37-W298 HydrophobicContact CG2-CH2 4.19Å; I37-W298 HydrophobicContact CG2-CZ2 3.76Å; I37-W298 HydrophobicContact CG2-CZ3 4.49Å; I37-F300 HydrophobicContact CD1-CZ 4.31Å; I37-F300 HydrophobicContact CG1-CE1 3.94Å; I37-F300 HydrophobicContact CG1-CZ 3.61Å
38H92.2Very high90.6Very high38 Ų3810.3 Ų10.318%0.1765%0.05CC..EExtended strand (participates in β ladder)trans-68.2144178.8-54.4103.8000111.7L31 I40 D41 L42 Q69L31-H38 PolarHBondContact O-CD2 2.75Å; H38-I40 HydrophobicContact CB-CG2 4.16Å; H38-I40 PolarHBondContact O-N 3.14Å; H38-D41 HydrophobicContact CB-CB 4.43Å; H38-D41 WeakPolarHBondContact CB-OD2 3.44Å; H38-D41 IonicContact CG-OD2 2.7Å; H38-D41 IonicContact ND1-OD2 2.67Å; H38-D41 PolarHBondContact ND1-OD2 2.91Å; H38-D41 WeakPolarHBondContact O-CB 3.5Å; H38-D41 PolarHBondContact O-N 2.81Å; H38-L42 PolarHBondContact O-N 3Å; H38-Q69 PolarHBondContact ND1-NE2 3.39Å; H38-Q69 VanDerWaalsContact ND1-NE2 3.1Å
39L93Very high90.6Very high0 Ų012.9 Ų12.90%08%0.077CC..Hα-helixtrans-54.8-38.7177.2-78.3174.1000113.3T29 S30 L32 V34 D41 L42 A43 V119 V272T29-L39 WeakPolarHBondContact O-CD1 3.48Å; S30-L39 PolarHBondContact O-N 2.95Å; L32-L39 HydrophobicContact CB-CD1 4.15Å; L32-L39 PolarHBondContact O-N 2.83Å; V34-L39 HydrophobicContact CG2-CD2 3.49Å; V34-L39 VanDerWaalsContact CG2-CD2 3.49Å; V34-L39 HydrophobicContact CG2-CG 3.93Å; L39-D41 VanDerWaalsContact C-N 3.3Å; L39-D41 PolarHBondContact O-N 3.23Å; L39-L42 PolarHBondContact O-N 2.95Å; L39-A43 PolarHBondContact O-N 3.17Å; L39-V119 HydrophobicContact CD2-CG2 4.08Å; L39-V272 HydrophobicContact CD1-CB 4.24Å; L39-V272 HydrophobicContact CD1-CG1 4.32Å; L39-V272 HydrophobicContact CD2-CB 4.45Å; L39-V272 HydrophobicContact CD2-CG2 3.99Å
40I93.2Very high90.6Very high0 Ų013.3 Ų13.30%08%0.079CC..Hα-helixtrans-65.5-35176.3-166.9162000112.6S30 L31 H38 L42 A43 L44 V66 Q69 V70S30-I40 WeakPolarHBondContact O-CG2 3.36Å; S30-I40 PolarHBondContact O-N 2.98Å; L31-I40 HydrophobicContact CD2-CG2 4.19Å; H38-I40 HydrophobicContact CB-CG2 4.16Å; H38-I40 PolarHBondContact O-N 3.14Å; I40-L42 VanDerWaalsContact C-N 3.35Å; I40-A43 PolarHBondContact O-N 3.23Å; I40-L44 HydrophobicContact CG1-CD1 4.36Å; I40-L44 HydrophobicContact CG1-CG 4.36Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 VanDerWaalsContact O-CG 3.24Å; I40-L44 WeakPolarHBondContact O-CG 3.48Å; I40-L44 PolarHBondContact O-N 3.37Å; I40-V66 HydrophobicContact CD1-CG1 3.38Å; I40-Q69 HydrophobicContact CG2-CG 4.12Å; I40-V70 HydrophobicContact CD1-CG2 3.45Å; I40-V70 VanDerWaalsContact CD1-CG2 3.45Å; I40-V70 HydrophobicContact CG1-CG2 4.18Å
41D91.7Very high90.4Very high9 Ų917 Ų175%0.04810%0.099CC..Hα-helixtrans-67.7-41.3-179.8-62.3-30.9000109.7I37 H38 L39 L44 E45 Q69 C73 W298I37-D41 HydrophobicContact CG2-CB 4.13Å; H38-D41 HydrophobicContact CB-CB 4.43Å; H38-D41 WeakPolarHBondContact CB-OD2 3.44Å; H38-D41 IonicContact CG-OD2 2.7Å; H38-D41 IonicContact ND1-OD2 2.67Å; H38-D41 PolarHBondContact ND1-OD2 2.91Å; H38-D41 WeakPolarHBondContact O-CB 3.5Å; H38-D41 PolarHBondContact O-N 2.81Å; L39-D41 VanDerWaalsContact C-N 3.3Å; L39-D41 PolarHBondContact O-N 3.23Å; D41-L44 PolarHBondContact O-N 2.88Å; D41-E45 PolarHBondContact O-N 3.06Å; D41-Q69 PolarHBondContact OD1-NE2 2.91Å; D41-Q69 PolarHBondContact OD2-NE2 2.9Å; D41-C73 WeakPolarHBondContact OD1-CB 3.46Å; D41-W298 HydrophobicContact CB-CH2 4.34Å; D41-W298 HydrophobicContact CB-CZ2 3.71Å; D41-W298 WeakPolarHBondContact O-CH2 3.27Å
42L91.9Very high90.3Very high3 Ų316.2 Ų16.22%0.0169%0.094CC..Hα-helixtrans-61.3-43.9172.3-67170.8000112.1V34 I37 H38 L39 I40 L44 E45 F46 V119 I285 F293 W298V34-L42 HydrophobicContact CB-CD1 4.38Å; I37-L42 HydrophobicContact CB-CG 4.49Å; I37-L42 HydrophobicContact CD1-CD2 4.47Å; I37-L42 HydrophobicContact CG2-CD2 3.96Å; I37-L42 HydrophobicContact CG2-CG 3.85Å; H38-L42 PolarHBondContact O-N 3Å; L39-L42 PolarHBondContact O-N 2.95Å; I40-L42 VanDerWaalsContact C-N 3.35Å; L42-L44 VanDerWaalsContact C-N 3.35Å; L42-L44 PolarHBondContact O-N 3.18Å; L42-E45 PolarHBondContact O-N 2.74Å; L42-F46 PolarHBondContact O-N 2.9Å; L42-V119 HydrophobicContact CD1-CG1 4.2Å; L42-V119 HydrophobicContact CD1-CG2 3.8Å; L42-I285 HydrophobicContact CD1-CD1 3.93Å; L42-F293 HydrophobicContact CD2-CB 4.11Å; L42-W298 HydrophobicContact CD2-CE3 4.41Å; L42-W298 HydrophobicContact CD2-CH2 4.2Å; L42-W298 HydrophobicContact CD2-CZ3 3.85Å
43A92.6Very high90.2Very high0 Ų018 Ų180%011%0.11CC..Hα-helixtrans-63.1-40.1177.400000112.2L13 L39 I40 F46 L47 F114L13-A43 HydrophobicContact CD1-CB 4.29Å; L13-A43 HydrophobicContact CD2-CB 4.22Å; L39-A43 PolarHBondContact O-N 3.17Å; I40-A43 PolarHBondContact O-N 3.23Å; A43-F46 WeakPolarHBondContact O-CB 3.43Å; A43-L47 WeakPolarHBondContact O-CG 3.44Å; A43-L47 PolarHBondContact O-N 2.88Å; A43-L47 VanDerWaalsContact O-N 3.08Å; A43-F114 HydrophobicContact CB-CE2 3.99Å
44L91.6Very high90.3Very high0 Ų019.9 Ų19.90%012%0.117CC..Hα-helixtrans-67-38.8176.4-70.5174.6000112L13 I40 D41 L42 L47 K48 I57 V70 C73 L74 I83L13-L44 HydrophobicContact CD2-CD2 4.48Å; I40-L44 HydrophobicContact CG1-CD1 4.36Å; I40-L44 HydrophobicContact CG1-CG 4.36Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 VanDerWaalsContact O-CG 3.24Å; I40-L44 WeakPolarHBondContact O-CG 3.48Å; I40-L44 PolarHBondContact O-N 3.37Å; D41-L44 PolarHBondContact O-N 2.88Å; L42-L44 VanDerWaalsContact C-N 3.35Å; L42-L44 PolarHBondContact O-N 3.18Å; L44-L47 WeakPolarHBondContact O-CB 3.46Å; L44-L47 PolarHBondContact O-N 3.05Å; L44-L47 VanDerWaalsContact O-N 3.16Å; L44-K48 WeakPolarHBondContact O-CG 3.45Å; L44-K48 PolarHBondContact O-N 2.98Å; L44-I57 HydrophobicContact CD2-CD1 4.21Å; L44-V70 HydrophobicContact CD1-CB 4.32Å; L44-V70 HydrophobicContact CD1-CG1 4.04Å; L44-V70 HydrophobicContact CD1-CG2 4.16Å; L44-C73 HydrophobicContact CD1-CB 4.27Å; L44-L74 HydrophobicContact CD1-CD1 4.15Å; L44-L74 HydrophobicContact CD1-CG 4.17Å; L44-L74 HydrophobicContact CD2-CD1 4.2Å; L44-I83 HydrophobicContact CD2-CD1 4.46Å
45E89Confident90.4Very high47 Ų4719.9 Ų19.922%0.2212%0.117CC..Hα-helixtrans-67.2-39.8177.9-153.665.5-160.700112D41 L42 L47 K48 G49 F293 W298D41-E45 PolarHBondContact O-N 3.06Å; L42-E45 PolarHBondContact O-N 2.74Å; E45-L47 VanDerWaalsContact C-N 3.27Å; E45-L47 PolarHBondContact O-N 2.86Å; E45-K48 WeakPolarHBondContact O-CB 3.41Å; E45-K48 PolarHBondContact O-N 3.04Å; E45-K48 VanDerWaalsContact O-N 3.16Å; E45-K48 IonicContact OE1-NZ 3.61Å; E45-K48 WeakPolarHBondContact OE2-CD 3.18Å; E45-K48 VanDerWaalsContact OE2-CE 3.25Å; E45-K48 WeakPolarHBondContact OE2-CE 3.36Å; E45-K48 IonicContact OE2-NZ 3.5Å; E45-K48 PolarHBondContact OE2-NZ 3.02Å; E45-G49 PolarHBondContact O-N 3.41Å; E45-F293 HydrophobicContact CB-CD1 4.46Å; E45-F293 HydrophobicContact CB-CE1 4.07Å; E45-F293 HydrophobicContact CB-CZ 4.36Å; E45-F293 HydrophobicContact CG-CD1 3.89Å; E45-F293 HydrophobicContact CG-CE1 3.39Å; E45-F293 HydrophobicContact CG-CZ 4.04Å; E45-W298 HydrophobicContact CB-CH2 3.68Å; E45-W298 HydrophobicContact CB-CZ3 3.98Å; E45-W298 HydrophobicContact CG-CH2 3.98Å; E45-W298 HydrophobicContact CG-CZ3 3.94Å
46F89.4Confident90.5Very high8 Ų821.1 Ų21.14%0.03512%0.122CC..Hα-helixtrans-55.8-43.3168.9168.4-109.9000111.7L42 A43 K48 G49 I50 L112 F114 M124 L221L42-F46 PolarHBondContact O-N 2.9Å; A43-F46 WeakPolarHBondContact O-CB 3.43Å; F46-K48 PolarHBondContact O-N 3.18Å; F46-G49 PolarHBondContact O-N 2.98Å; F46-I50 HydrophobicContact CE1-CD1 4.28Å; F46-I50 HydrophobicContact CZ-CD1 4.29Å; F46-L112 HydrophobicContact CE1-CD2 4.33Å; F46-F114 HydrophobicContact CD1-CE2 4.17Å; F46-F114 HydrophobicContact CD1-CZ 4.03Å; F46-F114 HydrophobicContact CE1-CE2 4.36Å; F46-F114 HydrophobicContact CE1-CZ 4.19Å; F46-M124 HydrophobicContact CE1-CG 4.37Å; F46-M124 HydrophobicContact CE2-CG 3.7Å; F46-M124 HydrophobicContact CZ-CB 4.5Å; F46-M124 HydrophobicContact CZ-CG 3.3Å; F46-M124 HydrophobicContact CZ-SD 4.27Å; F46-L221 HydrophobicContact CE1-CD2 4.02Å; F46-L221 HydrophobicContact CZ-CD1 4.45Å; F46-L221 HydrophobicContact CZ-CD2 4.09Å
47L90Very high90.7Very high0 Ų020.1 Ų20.10%012%0.117CC..Hα-helixtrans-68.7-29.3177.1-69.2171.4000113.9A11 L13 A43 L44 E45 G49 I50 L52 V55 L79 L112 F114A11-L47 HydrophobicContact CB-CD2 3.81Å; L13-L47 HydrophobicContact CD2-CD1 4.25Å; A43-L47 WeakPolarHBondContact O-CG 3.44Å; A43-L47 PolarHBondContact O-N 2.88Å; A43-L47 VanDerWaalsContact O-N 3.08Å; L44-L47 WeakPolarHBondContact O-CB 3.46Å; L44-L47 PolarHBondContact O-N 3.05Å; L44-L47 VanDerWaalsContact O-N 3.16Å; E45-L47 VanDerWaalsContact C-N 3.27Å; E45-L47 PolarHBondContact O-N 2.86Å; L47-G49 PolarHBondContact O-N 2.81Å; L47-I50 HydrophobicContact CD2-CD1 4.48Å; L47-I50 PolarHBondContact O-N 3.22Å; L47-L52 HydrophobicContact CB-CD1 3.96Å; L47-L52 HydrophobicContact CD2-CD1 3.55Å; L47-L52 HydrophobicContact CG-CD1 4.29Å; L47-V55 HydrophobicContact CD1-CG1 4.01Å; L47-L79 HydrophobicContact CB-CD2 4.44Å; L47-L112 HydrophobicContact CD2-CD2 4.37Å; L47-F114 HydrophobicContact CD1-CE1 4.36Å; L47-F114 HydrophobicContact CD1-CZ 3.94Å; L47-F114 HydrophobicContact CD2-CE1 3.8Å; L47-F114 HydrophobicContact CD2-CZ 3.83Å; L47-F114 HydrophobicContact CG-CE1 4.33Å; L47-F114 HydrophobicContact CG-CZ 3.87Å
48K87Confident90.9Very high55 Ų5520 Ų2024%0.23912%0.117CC..Hα-helixtrans-63.1-28174.3-69.9178.7-169.6165.90112.2L44 E45 F46 I50 L74 L79L44-K48 WeakPolarHBondContact O-CG 3.45Å; L44-K48 PolarHBondContact O-N 2.98Å; E45-K48 WeakPolarHBondContact O-CB 3.41Å; E45-K48 PolarHBondContact O-N 3.04Å; E45-K48 VanDerWaalsContact O-N 3.16Å; E45-K48 IonicContact OE1-NZ 3.61Å; E45-K48 WeakPolarHBondContact OE2-CD 3.18Å; E45-K48 VanDerWaalsContact OE2-CE 3.25Å; E45-K48 WeakPolarHBondContact OE2-CE 3.36Å; E45-K48 IonicContact OE2-NZ 3.5Å; E45-K48 PolarHBondContact OE2-NZ 3.02Å; F46-K48 PolarHBondContact O-N 3.18Å; K48-I50 PolarHBondContact O-N 3.46Å; K48-L74 HydrophobicContact CD-CD2 4.49Å; K48-L79 HydrophobicContact CG-CD2 3.87Å
49G83.4Confident90.9Very high55 Ų5518.3 Ų18.357%0.56711%0.109SC*.THydrogen-bonded Turntrans-72.4-3.5176.400000114.9E45 F46 L47E45-G49 PolarHBondContact O-N 3.41Å; F46-G49 PolarHBondContact O-N 2.98Å; L47-G49 PolarHBondContact O-N 2.81Å
50I86.3Confident90.6Very high11 Ų1119.2 Ų19.26%0.05611%0.114CC..SBendtrans-119.6134.6-174.6-52.1170.6000109.5L9 F46 L47 K48 L52 L112 M124L9-I50 HydrophobicContact CD1-CG2 4.25Å; F46-I50 HydrophobicContact CE1-CD1 4.28Å; F46-I50 HydrophobicContact CZ-CD1 4.29Å; L47-I50 HydrophobicContact CD2-CD1 4.48Å; L47-I50 PolarHBondContact O-N 3.22Å; K48-I50 PolarHBondContact O-N 3.46Å; I50-L52 VanDerWaalsContact C-N 3.31Å; I50-L52 HydrophobicContact CB-CD1 4.41Å; I50-L52 HydrophobicContact CB-CD2 4.16Å; I50-L52 HydrophobicContact CB-CG 4.01Å; I50-L52 HydrophobicContact CG2-CD2 3.56Å; I50-L52 HydrophobicContact CG2-CG 3.88Å; I50-L52 PolarHBondContact O-N 2.89Å; I50-L112 HydrophobicContact CD1-CD2 4.15Å; I50-M124 HydrophobicContact CD1-CB 3.84Å; I50-M124 HydrophobicContact CD1-CG 4.2Å; I50-M124 HydrophobicContact CG1-CB 4.42Å
51D85.6Confident90.2Very high77 Ų7723.8 Ų23.841%0.41213%0.134SC..  trans-75.683173-175.126.5000111.3K8K8-D51 IonicContact NZ-OD1 3.24Å; K8-D51 PolarHBondContact NZ-OD1 2.72Å; K8-D51 IonicContact NZ-OD2 3.51Å; K8-D51 PolarHBondContact NZ-OD2 3.43Å
52L87.7Confident89.9Confident1 Ų127 Ų271%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-88.4139.2178.4-57.3169.8000110.9L9 A11 L47 I50 V55 K82L9-L52 HydrophobicContact CB-CD2 3.47Å; L9-L52 VanDerWaalsContact CB-CD2 3.47Å; L9-L52 HydrophobicContact CD2-CD2 4.22Å; L9-L52 HydrophobicContact CG-CD2 4.36Å; L9-L52 CarbonylContact O-C 3.46Å; L9-L52 WeakPolarHBondContact O-CA 3.33Å; A11-L52 HydrophobicContact CB-CD1 3.95Å; A11-L52 HydrophobicContact CB-CD2 4.14Å; L47-L52 HydrophobicContact CB-CD1 3.96Å; L47-L52 HydrophobicContact CD2-CD1 3.55Å; L47-L52 HydrophobicContact CG-CD1 4.29Å; I50-L52 VanDerWaalsContact C-N 3.31Å; I50-L52 HydrophobicContact CB-CD1 4.41Å; I50-L52 HydrophobicContact CB-CD2 4.16Å; I50-L52 HydrophobicContact CB-CG 4.01Å; I50-L52 HydrophobicContact CG2-CD2 3.56Å; I50-L52 HydrophobicContact CG2-CG 3.88Å; I50-L52 PolarHBondContact O-N 2.89Å; L52-V55 HydrophobicContact CB-CG2 4.32Å; L52-V55 HydrophobicContact CD1-CG2 3.65Å; L52-K82 WeakPolarHBondContact O-CD 3.43Å; L52-K82 PolarHBondContact O-NZ 3.17Å
53A89.8Confident89.7Confident39 Ų3927.7 Ų27.732%0.32215%0.154SC..EExtended strand (participates in β ladder)trans-70.5-47.2165.300000111.4K8 L9K8-A53 HydrophobicContact CB-CB 3.47Å; K8-A53 VanDerWaalsContact CB-CB 3.47Å; K8-A53 HydrophobicContact CD-CB 4.42Å; L9-A53 PolarHBondContact O-N 3.48Å
54H93.5Very high89.6Confident52 Ų5231 Ų3124%0.24118%0.182CC..EExtended strand (participates in β ladder)trans-152.9150.8-174.1-149.176.1000111.6V10 A11 F56 K82 S84V10-H54 WeakPolarHBondContact CA-O 3.32Å; A11-H54 PolarHBondContact N-O 3.25Å; H54-F56 AromaticContact CD2-CE1 3.54Å; H54-F56 AromaticContact CD2-CE2 3.66Å; H54-F56 AromaticContact CD2-CZ 3.3Å; H54-F56 WeakPolarHBondContact CD2-CZ 3.21Å; H54-F56 AromaticContact NE2-CE1 3.81Å; H54-F56 AromaticContact NE2-CZ 3.95Å; H54-K82 PolarHBondContact CE1-O 3.03Å; H54-K82 VanDerWaalsContact CE1-O 3.25Å; H54-K82 PolarHBondContact ND1-O 3.43Å; H54-K82 PolarHBondContact NE2-O 3.02Å; H54-S84 PolarHBondContact CE1-OG 3.18Å; H54-S84 WeakPolarHBondContact NE2-CB 3.42Å; H54-S84 PolarHBondContact NE2-OG 2.87Å
55V95.1Very high89.6Confident0 Ų035.2 Ų35.20%020%0.204CC..EExtended strand (participates in β ladder)trans-126.8123.1177.5-177.80000109.6A11 L47 L52 I57 L79 K82 I83 S84A11-V55 HydrophobicContact CB-CG1 4.47Å; A11-V55 HydrophobicContact CB-CG2 4.37Å; A11-V55 CarbonylContact O-C 3.53Å; A11-V55 WeakPolarHBondContact O-CA 3.34Å; L47-V55 HydrophobicContact CD1-CG1 4.01Å; L52-V55 HydrophobicContact CB-CG2 4.32Å; L52-V55 HydrophobicContact CD1-CG2 3.65Å; V55-I57 HydrophobicContact CG1-CG1 4.16Å; V55-L79 HydrophobicContact CG2-CD1 4Å; V55-K82 PolarHBondContact N-O 3.3Å; V55-I83 HydrophobicContact CB-CG1 4Å; V55-I83 HydrophobicContact CG1-CG1 4.39Å; V55-I83 CarbonylContact O-C 3.57Å; V55-I83 WeakPolarHBondContact O-CA 3.44Å; V55-S84 PolarHBondContact O-N 2.84Å
56F95.6Very high89.7Confident26 Ų2633 Ų3311%0.11419%0.194CC..EExtended strand (participates in β ladder)trans-99.7117.6172.1-64.4-74.8000109.3V10 A11 V12 L13 H54 S84 V86 I106V10-F56 HydrophobicContact CG1-CD2 3.61Å; V10-F56 HydrophobicContact CG1-CE2 3.59Å; A11-F56 PolarHBondContact O-N 3.49Å; V12-F56 CarbonylContact C-O 3.59Å; V12-F56 WeakPolarHBondContact CA-O 3.3Å; V12-F56 HydrophobicContact CG2-CB 4.39Å; L13-F56 PolarHBondContact N-O 3.36Å; H54-F56 AromaticContact CD2-CE1 3.54Å; H54-F56 AromaticContact CD2-CE2 3.66Å; H54-F56 AromaticContact CD2-CZ 3.3Å; H54-F56 WeakPolarHBondContact CD2-CZ 3.21Å; H54-F56 AromaticContact NE2-CE1 3.81Å; H54-F56 AromaticContact NE2-CZ 3.95Å; F56-S84 WeakPolarHBondContact CA-O 3.43Å; F56-V86 HydrophobicContact CB-CG2 4.37Å; F56-V86 HydrophobicContact CD1-CG2 4.17Å; F56-I106 HydrophobicContact CD1-CG2 3.59Å; F56-I106 HydrophobicContact CD2-CG2 3.87Å; F56-I106 HydrophobicContact CE1-CG2 3.19Å; F56-I106 HydrophobicContact CE2-CG2 3.48Å; F56-I106 VanDerWaalsContact CE2-CG2 3.48Å; F56-I106 HydrophobicContact CG-CG2 3.91Å; F56-I106 HydrophobicContact CZ-CG2 3.13Å
57I95.3Very high89.8Confident0 Ų035.4 Ų35.40%020%0.204CC..EExtended strand (participates in β ladder)trans-100.4112.9173.6-57.2-179.8000107.6L13 A15 L44 V55 L59 V70 I83 S84 Y85 V86L13-I57 HydrophobicContact CB-CG1 4.47Å; L13-I57 HydrophobicContact CD2-CG1 4.47Å; L13-I57 WeakPolarHBondContact O-CA 3.45Å; A15-I57 HydrophobicContact CB-CG2 4.26Å; L44-I57 HydrophobicContact CD2-CD1 4.21Å; V55-I57 HydrophobicContact CG1-CG1 4.16Å; I57-L59 HydrophobicContact CG2-CD2 3.77Å; I57-L59 HydrophobicContact CG2-CG 4.24Å; I57-V70 HydrophobicContact CD1-CG1 3.95Å; I57-V70 HydrophobicContact CD1-CG2 4.07Å; I57-I83 HydrophobicContact CD1-CD1 4.26Å; I57-I83 HydrophobicContact CD1-CG2 3.75Å; I57-I83 HydrophobicContact CG1-CG2 4.08Å; I57-S84 PolarHBondContact N-O 2.84Å; I57-Y85 HydrophobicContact CB-CD1 4.07Å; I57-Y85 HydrophobicContact CB-CE1 4.42Å; I57-Y85 HydrophobicContact CD1-CE1 4.15Å; I57-Y85 HydrophobicContact CG2-CD1 4.45Å; I57-Y85 WeakPolarHBondContact O-CA 3.28Å; I57-V86 PolarHBondContact O-N 3.41Å
58V94.4Very high89.9Confident0 Ų040.4 Ų40.40%023%0.227CC..EExtended strand (participates in β ladder)trans-83.8123.5176.4-177.50000108.7V12 L13 L14 A15 V86 C88 V97 L101V12-V58 HydrophobicContact CG1-CG2 4Å; L13-V58 PolarHBondContact O-N 3.37Å; L14-V58 HydrophobicContact CD1-CB 3.97Å; L14-V58 HydrophobicContact CD1-CG1 3.87Å; A15-V58 WeakPolarHBondContact CB-O 3.39Å; A15-V58 PolarHBondContact N-O 3.33Å; V58-V86 HydrophobicContact CG2-CB 4.4Å; V58-C88 HydrophobicContact CG1-CB 4.01Å; V58-V97 HydrophobicContact CB-CG1 4.36Å; V58-V97 HydrophobicContact CG1-CG1 3.78Å; V58-V97 HydrophobicContact CG1-CG2 4.11Å; V58-V97 HydrophobicContact CG2-CG1 4.02Å; V58-L101 HydrophobicContact CG2-CD1 4.33Å; V58-L101 HydrophobicContact CG2-CD2 4.34Å
59L93Very high90Very high1 Ų138.8 Ų38.81%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-118.7125.3-176.5-60.1174.6000110A15 I57 V66 K67 Y85 V86 M87 C88A15-L59 HydrophobicContact CB-CD2 3.73Å; I57-L59 HydrophobicContact CG2-CD2 3.77Å; I57-L59 HydrophobicContact CG2-CG 4.24Å; L59-V66 HydrophobicContact CD2-CB 3.85Å; L59-V66 HydrophobicContact CD2-CG1 3.51Å; L59-K67 HydrophobicContact CD1-CD 4.01Å; L59-K67 HydrophobicContact CD1-CG 3.54Å; L59-Y85 HydrophobicContact CD1-CD1 3.64Å; L59-Y85 HydrophobicContact CD1-CE1 4.47Å; L59-Y85 HydrophobicContact CD1-CG 4.14Å; L59-Y85 HydrophobicContact CG-CD1 4.34Å; L59-V86 PolarHBondContact N-O 3.32Å; L59-M87 HydrophobicContact CB-SD 4.22Å; L59-M87 HydrophobicContact CD1-SD 4.04Å; L59-C88 PolarHBondContact O-N 2.85Å
60T86.5Confident90.4Very high20 Ų2036.2 Ų36.212%0.12319%0.194CC..  trans-116.5-62.8-177.455.20000109.9D16 F18 C88D16-T60 VanDerWaalsContact CB-OG1 3.27Å; D16-T60 WeakPolarHBondContact CB-OG1 3.5Å; F18-T60 HydrophobicContact CE1-CG2 3.78Å; F18-T60 HydrophobicContact CZ-CG2 3.65Å; T60-C88 WeakPolarHBondContact CA-O 3.24Å; T60-C88 HydrophobicContact CG2-CB 4.14Å; T60-C88 WeakPolarHBondContact CG2-O 3.27Å
61F84.3Confident90.5Very high96 Ų9641.3 Ų41.342%0.42122%0.216SC..SBendtrans-102.2135.4-177-172.7-116.4000112.7P28 S63P28-F61 HydrophobicContact CB-CD1 4.04Å; F61-S63 PolarHBondContact O-N 3.23Å; F61-S63 VanDerWaalsContact O-N 3.14Å
62Q85.1Confident90.5Very high75 Ų7542.8 Ų42.835%0.3522%0.215SC..SBendtrans45.645.1178.1-68.4-176.3-10.700114.2P28 A64 L65 V66P28-Q62 VanDerWaalsContact CD-OE1 3.25Å; P28-Q62 HydrophobicContact CG-CB 4.48Å; Q62-A64 PolarHBondContact O-N 3.06Å; Q62-L65 HydrophobicContact CB-CD1 4.28Å; Q62-L65 PolarHBondContact O-N 3.42Å; Q62-V66 PolarHBondContact O-N 2.64Å
63S88.1Confident90.3Very high18 Ų1844.4 Ų44.413%0.12623%0.226CC..Hα-helixtrans-51.1-33.4-17461.10000114.8F61 K67 M87F61-S63 PolarHBondContact O-N 3.23Å; F61-S63 VanDerWaalsContact O-N 3.14Å; S63-K67 WeakPolarHBondContact O-CB 3.46Å; S63-K67 VanDerWaalsContact O-CG 3.29Å; S63-K67 WeakPolarHBondContact O-CG 3.19Å; S63-K67 PolarHBondContact O-N 3.31Å; S63-M87 VanDerWaalsContact CB-CE 3.42Å; S63-M87 WeakPolarHBondContact OG-CE 3.38Å
64A91.1Very high90.1Very high71 Ų7142.5 Ų42.559%0.58721%0.211SC*.Hα-helixtrans-63.5-45.4178.900000112.7Q62 K67 E68Q62-A64 PolarHBondContact O-N 3.06Å; A64-K67 PolarHBondContact O-N 2.92Å; A64-E68 PolarHBondContact O-N 3.08Å
65L90.9Very high89.5Confident88 Ų8846.8 Ų46.846%0.46123%0.233SC..Hα-helixtrans-65.6-43.6180-66.9176.8000111L31 Q62 K67 E68 Q69L31-L65 HydrophobicContact CD1-CB 4.05Å; Q62-L65 HydrophobicContact CB-CD1 4.28Å; Q62-L65 PolarHBondContact O-N 3.42Å; L65-K67 PolarHBondContact O-N 3.37Å; L65-E68 PolarHBondContact O-N 3.19Å; L65-Q69 PolarHBondContact O-N 3.12Å
66V91.7Very high88.7Confident1 Ų150.9 Ų50.91%0.00628%0.275CS..Hα-helixtrans-63.2-43.9177.8-175.20000110.8A15 P28 L31 I40 L59 Q62 E68 Q69 V70A15-V66 HydrophobicContact CB-CG1 4.18Å; P28-V66 HydrophobicContact CB-CG2 4.33Å; P28-V66 HydrophobicContact CG-CG2 3.93Å; L31-V66 HydrophobicContact CD1-CG2 4.43Å; L31-V66 HydrophobicContact CG-CG2 4.48Å; I40-V66 HydrophobicContact CD1-CG1 3.38Å; L59-V66 HydrophobicContact CD2-CB 3.85Å; L59-V66 HydrophobicContact CD2-CG1 3.51Å; Q62-V66 PolarHBondContact O-N 2.64Å; V66-E68 VanDerWaalsContact C-N 3.34Å; V66-E68 PolarHBondContact O-N 2.9Å; V66-Q69 PolarHBondContact O-N 3.32Å; V66-V70 HydrophobicContact CG1-CG2 4.41Å; V66-V70 VanDerWaalsContact O-CG2 3.26Å; V66-V70 WeakPolarHBondContact O-CG2 3.42Å; V66-V70 PolarHBondContact O-N 3.26Å
67K92.3Very high88.1Confident58 Ų5853.5 Ų53.525%0.25229%0.287SS..Hα-helixtrans-59.2-43.6175.7-79177.8-175.9176.70112.4L59 S63 A64 L65 Q69 K71 Y85 M87L59-K67 HydrophobicContact CD1-CD 4.01Å; L59-K67 HydrophobicContact CD1-CG 3.54Å; S63-K67 WeakPolarHBondContact O-CB 3.46Å; S63-K67 VanDerWaalsContact O-CG 3.29Å; S63-K67 WeakPolarHBondContact O-CG 3.19Å; S63-K67 PolarHBondContact O-N 3.31Å; A64-K67 PolarHBondContact O-N 2.92Å; L65-K67 PolarHBondContact O-N 3.37Å; K67-Q69 VanDerWaalsContact C-N 3.35Å; K67-K71 WeakPolarHBondContact O-CB 3.4Å; K67-K71 WeakPolarHBondContact O-CG 3.36Å; K67-K71 PolarHBondContact O-N 2.86Å; K67-Y85 HydrophobicContact CD-CD2 4.43Å; K67-Y85 HydrophobicContact CD-CG 4.33Å; K67-Y85 HydrophobicContact CG-CD1 3.85Å; K67-Y85 HydrophobicContact CG-CD2 4.35Å; K67-Y85 HydrophobicContact CG-CE1 3.81Å; K67-Y85 HydrophobicContact CG-CE2 4.32Å; K67-Y85 HydrophobicContact CG-CG 4.1Å; K67-M87 VanDerWaalsContact CE-SD 3.6Å; K67-M87 PolarHBondContact NZ-SD 3.1Å
68E91.1Very high87.6Confident104 Ų10459.3 Ų59.349%0.48632%0.318SS..Hα-helixtrans-62.7-44.5178.3-167.4-172.5153.800111A64 L65 V66 K71 R72A64-E68 PolarHBondContact O-N 3.08Å; L65-E68 PolarHBondContact O-N 3.19Å; V66-E68 VanDerWaalsContact C-N 3.34Å; V66-E68 PolarHBondContact O-N 2.9Å; E68-K71 PolarHBondContact O-N 3.08Å; E68-R72 WeakPolarHBondContact O-CB 3.48Å; E68-R72 PolarHBondContact O-N 3Å; E68-R72 IonicContact OE1-CZ 3.35Å; E68-R72 IonicContact OE1-NH2 3.46Å; E68-R72 PolarHBondContact OE1-NH2 3Å
69Q89.4Confident87.2Confident22 Ų2259.8 Ų59.810%0.10332%0.321CS..Hα-helixtrans-62.6-46178.7-173.960.416.700112L31 H38 I40 D41 L65 V66 K67 K71 R72 C73L31-Q69 HydrophobicContact CD2-CB 3.9Å; L31-Q69 HydrophobicContact CD2-CG 3.78Å; H38-Q69 PolarHBondContact ND1-NE2 3.39Å; H38-Q69 VanDerWaalsContact ND1-NE2 3.1Å; I40-Q69 HydrophobicContact CG2-CG 4.12Å; D41-Q69 PolarHBondContact OD1-NE2 2.91Å; D41-Q69 PolarHBondContact OD2-NE2 2.9Å; L65-Q69 PolarHBondContact O-N 3.12Å; V66-Q69 PolarHBondContact O-N 3.32Å; K67-Q69 VanDerWaalsContact C-N 3.35Å; Q69-K71 VanDerWaalsContact C-N 3.34Å; Q69-K71 PolarHBondContact O-N 2.9Å; Q69-R72 WeakPolarHBondContact O-CB 3.41Å; Q69-R72 PolarHBondContact O-N 2.88Å; Q69-C73 WeakPolarHBondContact O-CB 3.21Å; Q69-C73 PolarHBondContact O-N 3.18Å
70V91.3Very high86.9Confident0 Ų062.3 Ų62.30%033%0.334CS..Hα-helixtrans-58.6-46.4176.2173.20000111I40 L44 I57 V66 R72 C73 L74 I83 Y85I40-V70 HydrophobicContact CD1-CG2 3.45Å; I40-V70 VanDerWaalsContact CD1-CG2 3.45Å; I40-V70 HydrophobicContact CG1-CG2 4.18Å; L44-V70 HydrophobicContact CD1-CB 4.32Å; L44-V70 HydrophobicContact CD1-CG1 4.04Å; L44-V70 HydrophobicContact CD1-CG2 4.16Å; I57-V70 HydrophobicContact CD1-CG1 3.95Å; I57-V70 HydrophobicContact CD1-CG2 4.07Å; V66-V70 HydrophobicContact CG1-CG2 4.41Å; V66-V70 VanDerWaalsContact O-CG2 3.26Å; V66-V70 WeakPolarHBondContact O-CG2 3.42Å; V66-V70 PolarHBondContact O-N 3.26Å; V70-R72 VanDerWaalsContact C-N 3.31Å; V70-R72 PolarHBondContact O-N 2.79Å; V70-C73 PolarHBondContact O-N 3.01Å; V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 PolarHBondContact O-N 2.93Å; V70-I83 HydrophobicContact CG1-CD1 4.11Å; V70-Y85 HydrophobicContact CB-CE1 4.45Å; V70-Y85 HydrophobicContact CG1-CE1 4.3Å; V70-Y85 WeakPolarHBondContact CG1-OH 3.42Å
71K88.9Confident87Confident119 Ų11967.8 Ų67.852%0.51736%0.363SS..Hα-helixtrans-60.3-43.3178.3-77.1177.8180-177.10111.3K67 E68 Q69 M75 L80K67-K71 WeakPolarHBondContact O-CB 3.4Å; K67-K71 WeakPolarHBondContact O-CG 3.36Å; K67-K71 PolarHBondContact O-N 2.86Å; E68-K71 PolarHBondContact O-N 3.08Å; Q69-K71 VanDerWaalsContact C-N 3.34Å; Q69-K71 PolarHBondContact O-N 2.9Å; K71-M75 WeakPolarHBondContact O-CG 3.4Å; K71-M75 PolarHBondContact O-N 2.87Å; K71-M75 VanDerWaalsContact O-N 3.11Å; K71-L80 HydrophobicContact CG-CD1 4.38Å
72R85.1Confident87.3Confident107 Ų10766.5 Ų66.540%0.40436%0.357SS..Hα-helixtrans-63.8-45.8178.6-170.1-176.8-64.8163.4-1.7111.7E68 Q69 V70 L74 M75E68-R72 WeakPolarHBondContact O-CB 3.48Å; E68-R72 PolarHBondContact O-N 3Å; E68-R72 IonicContact OE1-CZ 3.35Å; E68-R72 IonicContact OE1-NH2 3.46Å; E68-R72 PolarHBondContact OE1-NH2 3Å; Q69-R72 WeakPolarHBondContact O-CB 3.41Å; Q69-R72 PolarHBondContact O-N 2.88Å; V70-R72 VanDerWaalsContact C-N 3.31Å; V70-R72 PolarHBondContact O-N 2.79Å; R72-L74 VanDerWaalsContact C-N 3.32Å; R72-L74 PolarHBondContact O-N 3.04Å; R72-M75 WeakPolarHBondContact O-CG 3.12Å; R72-M75 PolarHBondContact O-N 3.07Å
73C84.1Confident87.8Confident35 Ų3563.8 Ų63.824%0.23635%0.345CS..Hα-helixtrans-63.9-36.3179.9-172.70000112.6D41 L44 Q69 V70D41-C73 WeakPolarHBondContact OD1-CB 3.46Å; L44-C73 HydrophobicContact CD1-CB 4.27Å; Q69-C73 WeakPolarHBondContact O-CB 3.21Å; Q69-C73 PolarHBondContact O-N 3.18Å; V70-C73 PolarHBondContact O-N 3.01Å
74L84.9Confident88.1Confident0 Ų065 Ų650%035%0.353CS..THydrogen-bonded Turntrans-101.715.3-176.7-60.9176000114.1L44 K48 V70 R72 G76 H77 L79 L80 I83L44-L74 HydrophobicContact CD1-CD1 4.15Å; L44-L74 HydrophobicContact CD1-CG 4.17Å; L44-L74 HydrophobicContact CD2-CD1 4.2Å; K48-L74 HydrophobicContact CD-CD2 4.49Å; V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 PolarHBondContact O-N 2.93Å; R72-L74 VanDerWaalsContact C-N 3.32Å; R72-L74 PolarHBondContact O-N 3.04Å; L74-G76 PolarHBondContact O-N 3.4Å; L74-G76 VanDerWaalsContact O-N 3.07Å; L74-H77 PolarHBondContact O-N 3.34Å; L74-L79 HydrophobicContact CD1-CD2 4.37Å; L74-L79 HydrophobicContact CD2-CD2 4.23Å; L74-L80 HydrophobicContact CB-CB 4.02Å; L74-L80 HydrophobicContact CB-CD1 4.12Å; L74-L80 HydrophobicContact CD1-CD1 4.45Å; L74-I83 HydrophobicContact CD1-CD1 3.14Å
75M81.7Confident88.2Confident142 Ų14264.5 Ų64.570%0.734%0.337SS*.THydrogen-bonded Turntrans-57118.9178.3-70.2-169.876.700110.5K71 R72 H77K71-M75 WeakPolarHBondContact O-CG 3.4Å; K71-M75 PolarHBondContact O-N 2.87Å; K71-M75 VanDerWaalsContact O-N 3.11Å; R72-M75 WeakPolarHBondContact O-CG 3.12Å; R72-M75 PolarHBondContact O-N 3.07Å; M75-H77 VanDerWaalsContact C-N 3.34Å
76G77.2Confident88.3Confident86 Ų8660.6 Ų60.689%0.88732%0.316SS*.THydrogen-bonded Turntrans82.71.7179.700000115.5L74L74-G76 PolarHBondContact O-N 3.4Å; L74-G76 VanDerWaalsContact O-N 3.07Å
77H83.5Confident88.4Confident80 Ų8063.2 Ų63.237%0.3733%0.329SS..  trans-98.4138.1176.9-166.9-90.5000111.7L74 M75 L79 L80L74-H77 PolarHBondContact O-N 3.34Å; M75-H77 VanDerWaalsContact C-N 3.34Å; H77-L79 WeakPolarHBondContact ND1-CB 3.44Å; H77-L79 PolarHBondContact ND1-N 3.21Å; H77-L79 VanDerWaalsContact ND1-N 3.16Å; H77-L79 PolarHBondContact O-N 3.32Å; H77-L79 VanDerWaalsContact O-N 3.13Å; H77-L80 WeakPolarHBondContact O-CB 3.23Å; H77-L80 PolarHBondContact O-N 2.65Å
78D84.2Confident88.1Confident122 Ų12260.5 Ų60.565%0.65232%0.318SS*.G310 helixtrans-60.6-27.5-176.3-71-27.1000113.8L80 N81D78-L80 PolarHBondContact O-N 3.46Å; D78-N81 WeakPolarHBondContact O-CB 3.47Å; D78-N81 PolarHBondContact O-N 2.88Å
79L86Confident87.7Confident11 Ų1162.5 Ų62.56%0.05833%0.327CS..G310 helixtrans-56.5-30.8176.3-170.467.1000112.2L47 K48 V55 L74 H77 N81 K82 I83L47-L79 HydrophobicContact CB-CD2 4.44Å; K48-L79 HydrophobicContact CG-CD2 3.87Å; V55-L79 HydrophobicContact CG2-CD1 4Å; L74-L79 HydrophobicContact CD1-CD2 4.37Å; L74-L79 HydrophobicContact CD2-CD2 4.23Å; H77-L79 WeakPolarHBondContact ND1-CB 3.44Å; H77-L79 PolarHBondContact ND1-N 3.21Å; H77-L79 VanDerWaalsContact ND1-N 3.16Å; H77-L79 PolarHBondContact O-N 3.32Å; H77-L79 VanDerWaalsContact O-N 3.13Å; L79-N81 PolarHBondContact O-N 2.58Å; L79-K82 PolarHBondContact O-N 3.17Å; L79-I83 HydrophobicContact CG-CD1 4.36Å; L79-I83 WeakPolarHBondContact O-CG1 3.18Å; L79-I83 PolarHBondContact O-N 3.45Å
80L86.6Confident87.5Confident53 Ų5366.7 Ų66.728%0.27736%0.359SS..G310 helixtrans-58.4-34.1178.1-173.561.7000112K71 L74 H77 D78 K82 I83K71-L80 HydrophobicContact CG-CD1 4.38Å; L74-L80 HydrophobicContact CB-CB 4.02Å; L74-L80 HydrophobicContact CB-CD1 4.12Å; L74-L80 HydrophobicContact CD1-CD1 4.45Å; H77-L80 WeakPolarHBondContact O-CB 3.23Å; H77-L80 PolarHBondContact O-N 2.65Å; D78-L80 PolarHBondContact O-N 3.46Å; L80-K82 VanDerWaalsContact C-N 3.26Å; L80-K82 PolarHBondContact O-N 3.16Å; L80-I83 PolarHBondContact O-N 3.15Å
81N88.7Confident87.4Confident136 Ų13667.2 Ų67.273%0.72736%0.362SS*.G310 helixtrans-75.4-15.8179.3-61.9-32.4000113D78 L79D78-N81 WeakPolarHBondContact O-CB 3.47Å; D78-N81 PolarHBondContact O-N 2.88Å; L79-N81 PolarHBondContact O-N 2.58Å
82K92.1Very high87.2Confident69 Ų6968.4 Ų68.430%0.337%0.374SS..G310 helixtrans-98.72.9179.4-61.6-179.2177.9179.90112.9L52 H54 V55 L79 L80L52-K82 WeakPolarHBondContact O-CD 3.43Å; L52-K82 PolarHBondContact O-NZ 3.17Å; H54-K82 PolarHBondContact CE1-O 3.03Å; H54-K82 VanDerWaalsContact CE1-O 3.25Å; H54-K82 PolarHBondContact ND1-O 3.43Å; H54-K82 PolarHBondContact NE2-O 3.02Å; V55-K82 PolarHBondContact N-O 3.3Å; L79-K82 PolarHBondContact O-N 3.17Å; L80-K82 VanDerWaalsContact C-N 3.26Å; L80-K82 PolarHBondContact O-N 3.16Å
83I94.2Very high87.5Confident18 Ų1864 Ų649%0.09236%0.359CS..EExtended strand (participates in β ladder)trans-94.1135.3-177.7-72.1166.6000110.5L44 V55 I57 V70 L74 L79 L80 Y85L44-I83 HydrophobicContact CD2-CD1 4.46Å; V55-I83 HydrophobicContact CB-CG1 4Å; V55-I83 HydrophobicContact CG1-CG1 4.39Å; V55-I83 CarbonylContact O-C 3.57Å; V55-I83 WeakPolarHBondContact O-CA 3.44Å; I57-I83 HydrophobicContact CD1-CD1 4.26Å; I57-I83 HydrophobicContact CD1-CG2 3.75Å; I57-I83 HydrophobicContact CG1-CG2 4.08Å; V70-I83 HydrophobicContact CG1-CD1 4.11Å; L74-I83 HydrophobicContact CD1-CD1 3.14Å; L79-I83 HydrophobicContact CG-CD1 4.36Å; L79-I83 WeakPolarHBondContact O-CG1 3.18Å; L79-I83 PolarHBondContact O-N 3.45Å; L80-I83 PolarHBondContact O-N 3.15Å; I83-Y85 HydrophobicContact CG2-CD1 4.42Å; I83-Y85 HydrophobicContact CG2-CE1 4.02Å; I83-Y85 HydrophobicContact CG2-CE2 4.22Å
84S94.6Very high87.9Confident44 Ų4463.9 Ų63.931%0.30836%0.356SS..EExtended strand (participates in β ladder)trans-126137166.5-67.90000110.4H54 V55 F56 I57H54-S84 PolarHBondContact CE1-OG 3.18Å; H54-S84 WeakPolarHBondContact NE2-CB 3.42Å; H54-S84 PolarHBondContact NE2-OG 2.87Å; V55-S84 PolarHBondContact O-N 2.84Å; F56-S84 WeakPolarHBondContact CA-O 3.43Å; I57-S84 PolarHBondContact N-O 2.84Å
85Y93.9Very high88.3Confident59 Ų5963.9 Ų63.923%0.23136%0.356CS..EExtended strand (participates in β ladder)trans-95.2127.7179.7-58.4-76.9000109.9I57 L59 K67 V70 I83I57-Y85 HydrophobicContact CB-CD1 4.07Å; I57-Y85 HydrophobicContact CB-CE1 4.42Å; I57-Y85 HydrophobicContact CD1-CE1 4.15Å; I57-Y85 HydrophobicContact CG2-CD1 4.45Å; I57-Y85 WeakPolarHBondContact O-CA 3.28Å; L59-Y85 HydrophobicContact CD1-CD1 3.64Å; L59-Y85 HydrophobicContact CD1-CE1 4.47Å; L59-Y85 HydrophobicContact CD1-CG 4.14Å; L59-Y85 HydrophobicContact CG-CD1 4.34Å; K67-Y85 HydrophobicContact CD-CD2 4.43Å; K67-Y85 HydrophobicContact CD-CG 4.33Å; K67-Y85 HydrophobicContact CG-CD1 3.85Å; K67-Y85 HydrophobicContact CG-CD2 4.35Å; K67-Y85 HydrophobicContact CG-CE1 3.81Å; K67-Y85 HydrophobicContact CG-CE2 4.32Å; K67-Y85 HydrophobicContact CG-CG 4.1Å; V70-Y85 HydrophobicContact CB-CE1 4.45Å; V70-Y85 HydrophobicContact CG1-CE1 4.3Å; V70-Y85 WeakPolarHBondContact CG1-OH 3.42Å; I83-Y85 HydrophobicContact CG2-CD1 4.42Å; I83-Y85 HydrophobicContact CG2-CE1 4.02Å; I83-Y85 HydrophobicContact CG2-CE2 4.22Å
86V93.1Very high88.8Confident6 Ų659 Ų594%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-105120.2172.7-171.50000107.7F56 I57 V58 L59 L101 I106F56-V86 HydrophobicContact CB-CG2 4.37Å; F56-V86 HydrophobicContact CD1-CG2 4.17Å; I57-V86 PolarHBondContact O-N 3.41Å; V58-V86 HydrophobicContact CG2-CB 4.4Å; L59-V86 PolarHBondContact N-O 3.32Å; V86-L101 HydrophobicContact CG1-CD2 4.18Å; V86-L101 HydrophobicContact CG2-CD2 4.19Å; V86-I106 HydrophobicContact CG1-CD1 4.39Å; V86-I106 HydrophobicContact CG2-CD1 3.91Å
87M92.6Very high89.6Confident56 Ų5654.9 Ų54.928%0.27629%0.29SS..EExtended strand (participates in β ladder)trans-93.6115.7-178.2-61.2-68.2-61.100109.2L59 S63 K67 E89 R104L59-M87 HydrophobicContact CB-SD 4.22Å; L59-M87 HydrophobicContact CD1-SD 4.04Å; S63-M87 VanDerWaalsContact CB-CE 3.42Å; S63-M87 WeakPolarHBondContact OG-CE 3.38Å; K67-M87 VanDerWaalsContact CE-SD 3.6Å; K67-M87 PolarHBondContact NZ-SD 3.1Å; M87-E89 HydrophobicContact CE-CG 4.36Å; M87-E89 VanDerWaalsContact CE-OE1 3.29Å; M87-E89 WeakPolarHBondContact CE-OE1 3.48Å; M87-R104 PolarHBondContact O-NH2 3.49Å
88C87.3Confident90.2Very high1 Ų151 Ų511%0.00727%0.272CS..  trans-128.262.5-174.7-650000109.5V58 L59 T60 S90 C91 D100V58-C88 HydrophobicContact CG1-CB 4.01Å; L59-C88 PolarHBondContact O-N 2.85Å; T60-C88 WeakPolarHBondContact CA-O 3.24Å; T60-C88 HydrophobicContact CG2-CB 4.14Å; T60-C88 WeakPolarHBondContact CG2-O 3.27Å; C88-S90 VanDerWaalsContact C-N 3.28Å; C88-S90 PolarHBondContact O-N 3.04Å; C88-C91 HydrophobicContact CB-CB 4.16Å; C88-C91 PolarHBondContact O-N 2.81Å; C88-D100 PolarHBondContact SG-OD2 3.2Å
89E82.8Confident90.6Very high146 Ų14646.6 Ų46.668%0.68225%0.246SC*.THydrogen-bonded Turntrans-71.1-22.3-172.6-63.2-178.317400113.4M87M87-E89 HydrophobicContact CE-CG 4.36Å; M87-E89 VanDerWaalsContact CE-OE1 3.29Å; M87-E89 WeakPolarHBondContact CE-OE1 3.48Å
90S85.1Confident91Very high110 Ų11047.3 Ų47.377%0.76925%0.25SS*.THydrogen-bonded Turntrans-95.1-5.9-179.456.20000114.4C88C88-S90 VanDerWaalsContact C-N 3.28Å; C88-S90 PolarHBondContact O-N 3.04Å
91C87.9Confident91.3Very high11 Ų1144.8 Ų44.87%0.07424%0.237CC..  trans-77.4136.5-177.1-64.30000110.4F18 C88 D96 V97F18-C91 HydrophobicContact CE1-CB 4.45Å; F18-C91 VanDerWaalsContact CE1-O 3.24Å; F18-C91 WeakPolarHBondContact CE1-O 3.22Å; F18-C91 HydrophobicContact CZ-CB 4.14Å; C88-C91 HydrophobicContact CB-CB 4.16Å; C88-C91 PolarHBondContact O-N 2.81Å; C91-D96 HydrophobicContact CB-CB 3.78Å; C91-V97 HydrophobicContact CB-CG2 3.97Å
92L86.3Confident91.6Very high145 Ų14540.8 Ų40.876%0.75922%0.216SC*.  trans-115.6-10.9177.9-64.2175.1000112.5F18 D96F18-L92 WeakPolarHBondContact CD1-O 3.41Å; F18-L92 WeakPolarHBondContact CG-O 3.37Å; L92-D96 PolarHBondContact N-OD2 2.85Å; L92-D96 VanDerWaalsContact N-OD2 3.11Å
93S90.9Very high91.6Very high13 Ų1345.3 Ų45.39%0.09124%0.238CC..SBendtrans-139.9166.3-176.170.70000112.2F18 G95 D96 V97 L239F18-S93 VanDerWaalsContact CE2-O 3.24Å; F18-S93 WeakPolarHBondContact CE2-O 3.47Å; S93-G95 PolarHBondContact O-N 3.28Å; S93-G95 PolarHBondContact OG-N 3.09Å; S93-D96 PolarHBondContact N-OD2 2.77Å; S93-D96 VanDerWaalsContact N-OD2 3.08Å; S93-D96 PolarHBondContact O-N 3.17Å; S93-D96 PolarHBondContact OG-N 3.13Å; S93-D96 VanDerWaalsContact OG-N 3.1Å; S93-D96 PolarHBondContact OG-OD2 2.99Å; S93-V97 PolarHBondContact O-N 3.33Å; S93-L239 WeakPolarHBondContact CB-O 3.42Å
94I92.3Very high91.6Very high34 Ų3450.2 Ų50.217%0.17426%0.255CS..Hα-helixtrans-64-36.3172.8-66.1173.5000110L14 F18 V97 F98 F113 L239 M241L14-I94 HydrophobicContact CD2-CG1 3.97Å; F18-I94 HydrophobicContact CD2-CG1 4.17Å; F18-I94 HydrophobicContact CE2-CG1 4.42Å; I94-V97 WeakPolarHBondContact O-CB 3.16Å; I94-V97 PolarHBondContact O-N 2.89Å; I94-F98 HydrophobicContact CG2-CD2 3.68Å; I94-F98 HydrophobicContact CG2-CE2 3.5Å; I94-F98 WeakPolarHBondContact O-CD2 3.33Å; I94-F98 PolarHBondContact O-N 2.78Å; I94-F113 HydrophobicContact CG2-CE1 4.02Å; I94-F113 HydrophobicContact CG2-CZ 3.76Å; I94-L239 PolarHBondContact N-O 2.79Å; I94-M241 HydrophobicContact CG2-CG 4.26Å; I94-M241 HydrophobicContact CG2-SD 4.2Å
95G93Very high91.5Very high0 Ų051.1 Ų51.10%027%0.265CS..Hα-helixtrans-59.7-45.4175.500000112.8S93 V97 F98 R99 L239S93-G95 PolarHBondContact O-N 3.28Å; S93-G95 PolarHBondContact OG-N 3.09Å; G95-V97 VanDerWaalsContact C-N 3.27Å; G95-V97 PolarHBondContact O-N 3.05Å; G95-F98 PolarHBondContact O-N 2.74Å; G95-F98 VanDerWaalsContact O-N 3.13Å; G95-R99 WeakPolarHBondContact O-CG 3.24Å; G95-R99 PolarHBondContact O-N 3.5Å; G95-L239 PolarHBondContact N-O 3.48Å
96D93Very high91.2Very high38 Ų3850.6 Ų50.620%0.20327%0.266CS..Hα-helixtrans-60.9-38.6176.7-59.4-40.8000112.2C91 L92 S93 R99 D100C91-D96 HydrophobicContact CB-CB 3.78Å; L92-D96 PolarHBondContact N-OD2 2.85Å; L92-D96 VanDerWaalsContact N-OD2 3.11Å; S93-D96 PolarHBondContact N-OD2 2.77Å; S93-D96 VanDerWaalsContact N-OD2 3.08Å; S93-D96 PolarHBondContact O-N 3.17Å; S93-D96 PolarHBondContact OG-N 3.13Å; S93-D96 VanDerWaalsContact OG-N 3.1Å; S93-D96 PolarHBondContact OG-OD2 2.99Å; D96-R99 PolarHBondContact O-N 3.42Å; D96-R99 IonicContact OD1-NH1 2.79Å; D96-R99 PolarHBondContact OD1-NH1 3.34Å; D96-D100 PolarHBondContact O-N 3.28Å
97V93.8Very high91Very high0 Ų051.3 Ų51.30%027%0.269CS..Hα-helixtrans-62.1-45.6175.9168.80000110.5L14 F18 V58 C91 S93 I94 G95 R99 D100 L101L14-V97 HydrophobicContact CD1-CG1 4.48Å; L14-V97 HydrophobicContact CD1-CG2 4.06Å; F18-V97 HydrophobicContact CE2-CG2 3.77Å; F18-V97 HydrophobicContact CZ-CG2 3.61Å; V58-V97 HydrophobicContact CB-CG1 4.36Å; V58-V97 HydrophobicContact CG1-CG1 3.78Å; V58-V97 HydrophobicContact CG1-CG2 4.11Å; V58-V97 HydrophobicContact CG2-CG1 4.02Å; C91-V97 HydrophobicContact CB-CG2 3.97Å; S93-V97 PolarHBondContact O-N 3.33Å; I94-V97 WeakPolarHBondContact O-CB 3.16Å; I94-V97 PolarHBondContact O-N 2.89Å; G95-V97 VanDerWaalsContact C-N 3.27Å; G95-V97 PolarHBondContact O-N 3.05Å; V97-R99 PolarHBondContact O-N 2.99Å; V97-D100 PolarHBondContact O-N 3.16Å; V97-L101 HydrophobicContact CG1-CD1 3.76Å; V97-L101 HydrophobicContact CG1-CG 4.28Å; V97-L101 WeakPolarHBondContact O-CB 3.17Å; V97-L101 WeakPolarHBondContact O-CG 3.38Å; V97-L101 PolarHBondContact O-N 3.49Å
98F95Very high90.9Very high0 Ų056.7 Ų56.70%029%0.291CS..Hα-helixtrans-64.8-39178.8-83.3-58.7000113I94 G95 L101 D102 F111 F113 V228 P229 F232 M241I94-F98 HydrophobicContact CG2-CD2 3.68Å; I94-F98 HydrophobicContact CG2-CE2 3.5Å; I94-F98 WeakPolarHBondContact O-CD2 3.33Å; I94-F98 PolarHBondContact O-N 2.78Å; G95-F98 PolarHBondContact O-N 2.74Å; G95-F98 VanDerWaalsContact O-N 3.13Å; F98-L101 HydrophobicContact CD1-CD1 4.26Å; F98-L101 PolarHBondContact O-N 2.89Å; F98-D102 WeakPolarHBondContact O-CB 3.45Å; F98-D102 PolarHBondContact O-N 3.27Å; F98-F111 AromaticContact CE1-CE2 3.84Å; F98-F111 HydrophobicContact CE1-CE2 3.84Å; F98-F111 AromaticContact CE1-CZ 3.79Å; F98-F111 HydrophobicContact CE1-CZ 3.79Å; F98-F111 HydrophobicContact CZ-CE2 4.41Å; F98-F113 HydrophobicContact CE1-CD2 4.22Å; F98-F113 HydrophobicContact CE1-CE2 4.45Å; F98-F113 HydrophobicContact CE1-CG 4.45Å; F98-F113 HydrophobicContact CE2-CD1 4.16Å; F98-F113 HydrophobicContact CE2-CD2 4.44Å; F98-F113 AromaticContact CE2-CE1 3.83Å; F98-F113 HydrophobicContact CE2-CE1 3.83Å; F98-F113 HydrophobicContact CE2-CE2 4.12Å; F98-F113 HydrophobicContact CE2-CG 4.46Å; F98-F113 AromaticContact CE2-CZ 3.82Å; F98-F113 HydrophobicContact CE2-CZ 3.82Å; F98-F113 HydrophobicContact CZ-CB 4.38Å; F98-F113 AromaticContact CZ-CD1 3.73Å; F98-F113 HydrophobicContact CZ-CD1 3.73Å; F98-F113 AromaticContact CZ-CD2 3.64Å; F98-F113 HydrophobicContact CZ-CD2 3.64Å; F98-F113 AromaticContact CZ-CE1 3.83Å; F98-F113 HydrophobicContact CZ-CE1 3.83Å; F98-F113 AromaticContact CZ-CE2 3.73Å; F98-F113 HydrophobicContact CZ-CE2 3.73Å; F98-F113 AromaticContact CZ-CG 3.63Å; F98-F113 HydrophobicContact CZ-CG 3.63Å; F98-F113 AromaticContact CZ-CZ 3.84Å; F98-F113 HydrophobicContact CZ-CZ 3.84Å; F98-V228 HydrophobicContact CE1-CG1 4.36Å; F98-V228 HydrophobicContact CZ-CG1 4.36Å; F98-P229 HydrophobicContact CD1-CB 4.27Å; F98-P229 HydrophobicContact CD1-CG 3.97Å; F98-P229 HydrophobicContact CE1-CG 4.49Å; F98-F232 HydrophobicContact CB-CB 3.8Å; F98-F232 HydrophobicContact CB-CD2 3.64Å; F98-F232 HydrophobicContact CB-CE2 4.35Å; F98-F232 HydrophobicContact CB-CG 3.79Å; F98-F232 AromaticContact CD2-CD2 3.62Å; F98-F232 HydrophobicContact CD2-CD2 3.62Å; F98-F232 AromaticContact CD2-CE2 3.42Å; F98-F232 HydrophobicContact CD2-CE2 3.42Å; F98-F232 VanDerWaalsContact CD2-CE2 3.42Å; F98-F232 HydrophobicContact CD2-CG 4.31Å; F98-F232 AromaticContact CD2-CZ 3.97Å; F98-F232 HydrophobicContact CD2-CZ 3.97Å; F98-F232 HydrophobicContact CE2-CD2 4.49Å; F98-F232 AromaticContact CE2-CE2 3.94Å; F98-F232 HydrophobicContact CE2-CE2 3.94Å; F98-F232 HydrophobicContact CE2-CZ 4.47Å; F98-F232 AromaticContact CG-CD2 3.75Å; F98-F232 HydrophobicContact CG-CD2 3.75Å; F98-F232 HydrophobicContact CG-CE2 4.03Å; F98-F232 HydrophobicContact CG-CG 4.36Å; F98-M241 HydrophobicContact CD2-SD 4.44Å; F98-M241 HydrophobicContact CE2-SD 3.55Å; F98-M241 VanDerWaalsContact CE2-SD 3.55Å; F98-M241 HydrophobicContact CZ-SD 4.22Å
99R93.7Very high91.1Very high29 Ų2958.3 Ų58.311%0.10930%0.301CS..Hα-helixtrans-61.9-44.4174.3-66.3176.4-161.2140.55.9112.2G95 D96 V97 L101 D102 Q103 F232 N235 F236 F238G95-R99 WeakPolarHBondContact O-CG 3.24Å; G95-R99 PolarHBondContact O-N 3.5Å; D96-R99 PolarHBondContact O-N 3.42Å; D96-R99 IonicContact OD1-NH1 2.79Å; D96-R99 PolarHBondContact OD1-NH1 3.34Å; V97-R99 PolarHBondContact O-N 2.99Å; R99-L101 VanDerWaalsContact C-N 3.34Å; R99-D102 PolarHBondContact O-N 3.03Å; R99-Q103 WeakPolarHBondContact O-CB 3.45Å; R99-Q103 PolarHBondContact O-N 2.8Å; R99-F232 HydrophobicContact CG-CB 4.27Å; R99-F232 WeakPolarHBondContact CG-O 3.49Å; R99-F232 PolarHBondContact NE-O 3.04Å; R99-N235 PolarHBondContact NH2-O 3.29Å; R99-F236 VanDerWaalsContact NH1-CE2 3.28Å; R99-F236 VanDerWaalsContact NH2-CA 3.26Å; R99-F236 PolarHBondContact NH2-O 2.89Å; R99-F238 PolarHBondContact NH2-O 3.02Å
100D93.5Very high91.6Very high25 Ų2551.9 Ų51.913%0.13427%0.271CS..Hα-helixtrans-67.3-36.9177.5-170.733.5000111.5C88 D96 V97 R104C88-D100 PolarHBondContact SG-OD2 3.2Å; D96-D100 PolarHBondContact O-N 3.28Å; V97-D100 PolarHBondContact O-N 3.16Å; D100-R104 VanDerWaalsContact CG-NE 3.26Å; D100-R104 WeakPolarHBondContact O-CB 3.38Å; D100-R104 WeakPolarHBondContact O-CD 3.4Å; D100-R104 WeakPolarHBondContact O-CG 3.36Å; D100-R104 PolarHBondContact O-N 3.02Å; D100-R104 VanDerWaalsContact O-N 3.13Å; D100-R104 IonicContact OD1-CZ 3.89Å; D100-R104 IonicContact OD1-NE 2.75Å; D100-R104 PolarHBondContact OD1-NE 2.91Å; D100-R104 IonicContact OD1-NH2 2.7Å; D100-R104 PolarHBondContact OD1-NH2 3.42Å; D100-R104 IonicContact OD2-CZ 3.68Å; D100-R104 IonicContact OD2-NE 3.48Å; D100-R104 PolarHBondContact OD2-NE 2.9Å; D100-R104 VanDerWaalsContact OD2-NE 3.08Å; D100-R104 IonicContact OD2-NH2 3.9Å; D100-R104 PolarHBondContact OD2-NH2 2.99Å
101L93.5Very high92Very high1 Ų146.6 Ų46.61%0.00524%0.235CC..Hα-helixtrans-64.4-39.1174.1-72.4170.9000112.5V12 V58 V86 V97 F98 R99 A105 I106 I107V12-L101 HydrophobicContact CG1-CD1 3.91Å; V58-L101 HydrophobicContact CG2-CD1 4.33Å; V58-L101 HydrophobicContact CG2-CD2 4.34Å; V86-L101 HydrophobicContact CG1-CD2 4.18Å; V86-L101 HydrophobicContact CG2-CD2 4.19Å; V97-L101 HydrophobicContact CG1-CD1 3.76Å; V97-L101 HydrophobicContact CG1-CG 4.28Å; V97-L101 WeakPolarHBondContact O-CB 3.17Å; V97-L101 WeakPolarHBondContact O-CG 3.38Å; V97-L101 PolarHBondContact O-N 3.49Å; F98-L101 HydrophobicContact CD1-CD1 4.26Å; F98-L101 PolarHBondContact O-N 2.89Å; R99-L101 VanDerWaalsContact C-N 3.34Å; L101-A105 PolarHBondContact O-N 3.05Å; L101-I106 HydrophobicContact CD2-CD1 4.26Å; L101-I106 PolarHBondContact O-N 3.36Å; L101-I107 HydrophobicContact CB-CD1 4.32Å; L101-I107 HydrophobicContact CD1-CD1 4.15Å
102D94.4Very high92.4Very high52 Ų5246.2 Ų46.228%0.27823%0.232SC..Hα-helixtrans-68.1-46.9176.2-170.245.2000111.5F98 R99 R104 A105 P229 T230 S233F98-D102 WeakPolarHBondContact O-CB 3.45Å; F98-D102 PolarHBondContact O-N 3.27Å; R99-D102 PolarHBondContact O-N 3.03Å; D102-R104 PolarHBondContact O-N 3.07Å; D102-R104 VanDerWaalsContact O-N 3.15Å; D102-A105 WeakPolarHBondContact O-CA 3.36Å; D102-A105 PolarHBondContact O-N 3.13Å; D102-P229 HydrophobicContact CB-CB 3.75Å; D102-T230 VanDerWaalsContact OD1-CG2 3.31Å; D102-T230 WeakPolarHBondContact OD1-CG2 3.18Å; D102-S233 WeakPolarHBondContact CB-OG 3.49Å; D102-S233 WeakPolarHBondContact OD2-CB 3.41Å; D102-S233 PolarHBondContact OD2-OG 2.82Å
103Q93.1Very high92.8Very high163 Ų16339.5 Ų39.576%0.76220%0.196SC*.Hα-helixtrans-56.4-34.8176.6-171.3178.517.800112.1R99 A105R99-Q103 WeakPolarHBondContact O-CB 3.45Å; R99-Q103 PolarHBondContact O-N 2.8Å; Q103-A105 VanDerWaalsContact C-N 3.34Å
104R93.2Very high93Very high122 Ų12238.9 Ų38.946%0.4619%0.192SC..THydrogen-bonded Turntrans-83.6-6.9177.2-63.8170.5-167.5-11716.1113.6M87 D100 D102 I106M87-R104 PolarHBondContact O-NH2 3.49Å; D100-R104 VanDerWaalsContact CG-NE 3.26Å; D100-R104 WeakPolarHBondContact O-CB 3.38Å; D100-R104 WeakPolarHBondContact O-CD 3.4Å; D100-R104 WeakPolarHBondContact O-CG 3.36Å; D100-R104 PolarHBondContact O-N 3.02Å; D100-R104 VanDerWaalsContact O-N 3.13Å; D100-R104 IonicContact OD1-CZ 3.89Å; D100-R104 IonicContact OD1-NE 2.75Å; D100-R104 PolarHBondContact OD1-NE 2.91Å; D100-R104 IonicContact OD1-NH2 2.7Å; D100-R104 PolarHBondContact OD1-NH2 3.42Å; D100-R104 IonicContact OD2-CZ 3.68Å; D100-R104 IonicContact OD2-NE 3.48Å; D100-R104 PolarHBondContact OD2-NE 2.9Å; D100-R104 VanDerWaalsContact OD2-NE 3.08Å; D100-R104 IonicContact OD2-NH2 3.9Å; D100-R104 PolarHBondContact OD2-NH2 2.99Å; D102-R104 PolarHBondContact O-N 3.07Å; D102-R104 VanDerWaalsContact O-N 3.15Å; R104-I106 HydrophobicContact CB-CD1 3.61Å; R104-I106 HydrophobicContact CB-CG1 3.61Å; R104-I106 HydrophobicContact CG-CD1 4.38Å; R104-I106 PolarHBondContact O-N 3.25Å
105A91.9Very high92.9Very high63 Ų6338.2 Ų38.252%0.52119%0.19SC..THydrogen-bonded Turntrans50.637.4-179.100000113.8L101 D102 Q103L101-A105 PolarHBondContact O-N 3.05Å; D102-A105 WeakPolarHBondContact O-CA 3.36Å; D102-A105 PolarHBondContact O-N 3.13Å; Q103-A105 VanDerWaalsContact C-N 3.34Å
106I88.1Confident92.5Very high47 Ų4738.2 Ų38.224%0.24119%0.19CC..  trans-75.7-39.6-174.5-66.7172.9000110.8F56 V86 L101 R104F56-I106 HydrophobicContact CD1-CG2 3.59Å; F56-I106 HydrophobicContact CD2-CG2 3.87Å; F56-I106 HydrophobicContact CE1-CG2 3.19Å; F56-I106 HydrophobicContact CE2-CG2 3.48Å; F56-I106 VanDerWaalsContact CE2-CG2 3.48Å; F56-I106 HydrophobicContact CG-CG2 3.91Å; F56-I106 HydrophobicContact CZ-CG2 3.13Å; V86-I106 HydrophobicContact CG1-CD1 4.39Å; V86-I106 HydrophobicContact CG2-CD1 3.91Å; L101-I106 HydrophobicContact CD2-CD1 4.26Å; L101-I106 PolarHBondContact O-N 3.36Å; R104-I106 HydrophobicContact CB-CD1 3.61Å; R104-I106 HydrophobicContact CB-CG1 3.61Å; R104-I106 HydrophobicContact CG-CD1 4.38Å; R104-I106 PolarHBondContact O-N 3.25Å
107I90.2Very high92.2Very high21 Ų2136.4 Ų36.411%0.10818%0.181CC..  trans-93.2116.8-173.4-57.7176000109.5V12 L101 F111 P226 P229V12-I107 HydrophobicContact CG2-CD1 3.81Å; V12-I107 HydrophobicContact CG2-CG1 4.32Å; L101-I107 HydrophobicContact CB-CD1 4.32Å; L101-I107 HydrophobicContact CD1-CD1 4.15Å; I107-F111 HydrophobicContact CD1-CD1 4.35Å; I107-F111 HydrophobicContact CD1-CD2 4.21Å; I107-F111 HydrophobicContact CD1-CE1 4.11Å; I107-F111 HydrophobicContact CD1-CE2 3.94Å; I107-F111 HydrophobicContact CD1-CG 4.39Å; I107-F111 HydrophobicContact CD1-CZ 3.9Å; I107-F111 HydrophobicContact CG2-CB 4.42Å; I107-F111 HydrophobicContact CG2-CD1 3.27Å; I107-F111 HydrophobicContact CG2-CE1 3.56Å; I107-F111 HydrophobicContact CG2-CG 3.92Å; I107-F111 HydrophobicContact CG2-CZ 4.4Å; I107-P226 HydrophobicContact CG2-CB 4.3Å; I107-P229 HydrophobicContact CD1-CG 4.02Å
108K89.1Confident92.1Very high170 Ų17036.5 Ų36.574%0.73918%0.181SC*.  trans-120.4-12.6-179-62.4-177.4-178.8178.90114.1
109T91.6Very high91.9Very high34 Ų3436.6 Ų36.621%0.20918%0.182CC..SBendtrans-130.4169.8-175.761.10000109.1Q7Q7-T109 HydrophobicContact CG-CG2 4.18Å; Q7-T109 VanDerWaalsContact NE2-CG2 3.35Å
110D92.9Very high91.8Very high11 Ų1135.3 Ų35.36%0.05918%0.177CC..  trans-58140.9171.3-54.3-44.8000109.7F128 L132 R135 C224 S225 P226D110-F128 HydrophobicContact CB-CE2 4.07Å; D110-F128 HydrophobicContact CB-CZ 4.46Å; D110-L132 HydrophobicContact CB-CD2 4.3Å; D110-L132 VanDerWaalsContact OD2-CD2 3.24Å; D110-L132 WeakPolarHBondContact OD2-CD2 3.37Å; D110-R135 VanDerWaalsContact OD1-CD 3.31Å; D110-R135 WeakPolarHBondContact OD1-CD 3.42Å; D110-R135 IonicContact OD1-CZ 3.04Å; D110-R135 IonicContact OD1-NE 2.85Å; D110-R135 IonicContact OD1-NH1 3.62Å; D110-R135 PolarHBondContact OD1-NH1 3.33Å; D110-R135 IonicContact OD2-NH1 3.77Å; D110-C224 CarbonylContact C-O 3.58Å; D110-C224 VanDerWaalsContact CA-O 3.32Å; D110-C224 WeakPolarHBondContact CA-O 3.48Å; D110-S225 WeakPolarHBondContact OD1-CA 3.44Å; D110-P226 WeakPolarHBondContact OD1-CD 3.36Å
111F94.9Very high91.6Very high0 Ų036.6 Ų36.60%018%0.184CC..EExtended strand (participates in β ladder)trans-141.5151.3-170.766.8-80.2000111.7V10 V12 F98 I107 F113 C224 S225 P229V10-F111 HydrophobicContact CB-CB 4.19Å; V10-F111 HydrophobicContact CG1-CB 4.41Å; V10-F111 CarbonylContact O-C 3.27Å; V10-F111 WeakPolarHBondContact O-CA 3.46Å; V10-F111 WeakPolarHBondContact O-CB 3.49Å; V12-F111 HydrophobicContact CB-CD2 4.1Å; V12-F111 HydrophobicContact CB-CE2 4.45Å; V12-F111 HydrophobicContact CG2-CD2 3.6Å; V12-F111 HydrophobicContact CG2-CE2 4.12Å; V12-F111 HydrophobicContact CG2-CG 4.33Å; F98-F111 AromaticContact CE1-CE2 3.84Å; F98-F111 HydrophobicContact CE1-CE2 3.84Å; F98-F111 AromaticContact CE1-CZ 3.79Å; F98-F111 HydrophobicContact CE1-CZ 3.79Å; F98-F111 HydrophobicContact CZ-CE2 4.41Å; I107-F111 HydrophobicContact CD1-CD1 4.35Å; I107-F111 HydrophobicContact CD1-CD2 4.21Å; I107-F111 HydrophobicContact CD1-CE1 4.11Å; I107-F111 HydrophobicContact CD1-CE2 3.94Å; I107-F111 HydrophobicContact CD1-CG 4.39Å; I107-F111 HydrophobicContact CD1-CZ 3.9Å; I107-F111 HydrophobicContact CG2-CB 4.42Å; I107-F111 HydrophobicContact CG2-CD1 3.27Å; I107-F111 HydrophobicContact CG2-CE1 3.56Å; I107-F111 HydrophobicContact CG2-CG 3.92Å; I107-F111 HydrophobicContact CG2-CZ 4.4Å; F111-F113 HydrophobicContact CD2-CB 4.15Å; F111-F113 HydrophobicContact CE2-CB 3.83Å; F111-C224 HydrophobicContact CD1-CB 4.12Å; F111-C224 WeakPolarHBondContact CD1-O 3.32Å; F111-C224 HydrophobicContact CD2-CB 4.36Å; F111-C224 HydrophobicContact CE1-CB 3.6Å; F111-C224 HydrophobicContact CE2-CB 3.88Å; F111-C224 HydrophobicContact CG-CB 4.49Å; F111-C224 HydrophobicContact CZ-CB 3.47Å; F111-C224 VanDerWaalsContact CZ-CB 3.47Å; F111-C224 PolarHBondContact N-O 3.41Å; F111-C224 PolarHBondContact O-N 3.36Å; F111-S225 WeakPolarHBondContact CE1-O 3.2Å; F111-P229 HydrophobicContact CE1-CG 4.31Å; F111-P229 HydrophobicContact CZ-CG 4.15Å
112L95Very high91.1Very high2 Ų237.7 Ų37.71%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-87126.6170.4176.365.9000109.1L9 V10 A11 V12 F46 L47 I50 F114 M124 L221 Y222 V223L9-L112 HydrophobicContact CD2-CB 4.38Å; V10-L112 PolarHBondContact O-N 3.36Å; A11-L112 CarbonylContact C-O 3.52Å; A11-L112 WeakPolarHBondContact CA-O 3.25Å; A11-L112 HydrophobicContact CB-CB 4.37Å; V12-L112 PolarHBondContact N-O 3.35Å; F46-L112 HydrophobicContact CE1-CD2 4.33Å; L47-L112 HydrophobicContact CD2-CD2 4.37Å; I50-L112 HydrophobicContact CD1-CD2 4.15Å; L112-F114 HydrophobicContact CD2-CD1 4.26Å; L112-F114 HydrophobicContact CD2-CE1 4.14Å; L112-F114 HydrophobicContact CG-CD1 4.07Å; L112-F114 HydrophobicContact CG-CE1 4.37Å; L112-M124 HydrophobicContact CD1-CE 3.93Å; L112-L221 HydrophobicContact CD1-CD2 4.24Å; L112-Y222 CarbonylContact C-O 3.53Å; L112-Y222 WeakPolarHBondContact CA-O 3.45Å; L112-V223 HydrophobicContact CD1-CG2 4.24Å
113F95.5Very high90.4Very high4 Ų438.4 Ų38.42%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-118.5132.3174.7176.4-106.9000111.3V12 L14 I94 F98 F111 Y222 M241V12-F113 HydrophobicContact CB-CD2 4.15Å; V12-F113 HydrophobicContact CG1-CD2 3.95Å; V12-F113 HydrophobicContact CG1-CE2 4.4Å; V12-F113 WeakPolarHBondContact O-CA 3.44Å; L14-F113 HydrophobicContact CB-CE2 4.18Å; L14-F113 HydrophobicContact CB-CZ 4.45Å; L14-F113 HydrophobicContact CD2-CZ 4.35Å; I94-F113 HydrophobicContact CG2-CE1 4.02Å; I94-F113 HydrophobicContact CG2-CZ 3.76Å; F98-F113 HydrophobicContact CE1-CD2 4.22Å; F98-F113 HydrophobicContact CE1-CE2 4.45Å; F98-F113 HydrophobicContact CE1-CG 4.45Å; F98-F113 HydrophobicContact CE2-CD1 4.16Å; F98-F113 HydrophobicContact CE2-CD2 4.44Å; F98-F113 AromaticContact CE2-CE1 3.83Å; F98-F113 HydrophobicContact CE2-CE1 3.83Å; F98-F113 HydrophobicContact CE2-CE2 4.12Å; F98-F113 HydrophobicContact CE2-CG 4.46Å; F98-F113 AromaticContact CE2-CZ 3.82Å; F98-F113 HydrophobicContact CE2-CZ 3.82Å; F98-F113 HydrophobicContact CZ-CB 4.38Å; F98-F113 AromaticContact CZ-CD1 3.73Å; F98-F113 HydrophobicContact CZ-CD1 3.73Å; F98-F113 AromaticContact CZ-CD2 3.64Å; F98-F113 HydrophobicContact CZ-CD2 3.64Å; F98-F113 AromaticContact CZ-CE1 3.83Å; F98-F113 HydrophobicContact CZ-CE1 3.83Å; F98-F113 AromaticContact CZ-CE2 3.73Å; F98-F113 HydrophobicContact CZ-CE2 3.73Å; F98-F113 AromaticContact CZ-CG 3.63Å; F98-F113 HydrophobicContact CZ-CG 3.63Å; F98-F113 AromaticContact CZ-CZ 3.84Å; F98-F113 HydrophobicContact CZ-CZ 3.84Å; F111-F113 HydrophobicContact CD2-CB 4.15Å; F111-F113 HydrophobicContact CE2-CB 3.83Å; F113-Y222 AromaticContact CD1-CD2 3.87Å; F113-Y222 HydrophobicContact CD1-CD2 3.87Å; F113-Y222 HydrophobicContact CE1-CD2 4.45Å; F113-Y222 PolarHBondContact N-O 3.14Å; F113-Y222 PolarHBondContact O-N 3.13Å; F113-M241 HydrophobicContact CD1-SD 4.27Å; F113-M241 HydrophobicContact CE1-CG 4.15Å; F113-M241 HydrophobicContact CE1-SD 4.04Å
114F94.8Very high90Very high1 Ų131 Ų310%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-163.7162173.667.2-68000111.7V12 L13 L14 A43 F46 L47 L112 V118 S220 L221V12-F114 PolarHBondContact O-N 3.06Å; L13-F114 HydrophobicContact CB-CE1 4.49Å; L13-F114 HydrophobicContact CD1-CD1 4.49Å; L13-F114 HydrophobicContact CD1-CD2 3.88Å; L13-F114 HydrophobicContact CD1-CE1 4.13Å; L13-F114 HydrophobicContact CD1-CE2 3.52Å; L13-F114 HydrophobicContact CD1-CG 4.37Å; L13-F114 HydrophobicContact CD1-CZ 3.65Å; L14-F114 PolarHBondContact N-O 2.87Å; A43-F114 HydrophobicContact CB-CE2 3.99Å; F46-F114 HydrophobicContact CD1-CE2 4.17Å; F46-F114 HydrophobicContact CD1-CZ 4.03Å; F46-F114 HydrophobicContact CE1-CE2 4.36Å; F46-F114 HydrophobicContact CE1-CZ 4.19Å; L47-F114 HydrophobicContact CD1-CE1 4.36Å; L47-F114 HydrophobicContact CD1-CZ 3.94Å; L47-F114 HydrophobicContact CD2-CE1 3.8Å; L47-F114 HydrophobicContact CD2-CZ 3.83Å; L47-F114 HydrophobicContact CG-CE1 4.33Å; L47-F114 HydrophobicContact CG-CZ 3.87Å; L112-F114 HydrophobicContact CD2-CD1 4.26Å; L112-F114 HydrophobicContact CD2-CE1 4.14Å; L112-F114 HydrophobicContact CG-CD1 4.07Å; L112-F114 HydrophobicContact CG-CE1 4.37Å; F114-V118 HydrophobicContact CB-CG2 4.39Å; F114-V118 HydrophobicContact CD2-CB 4.21Å; F114-V118 HydrophobicContact CD2-CG2 4.33Å; F114-S220 WeakPolarHBondContact CB-O 3.47Å; F114-L221 HydrophobicContact CB-CD2 3.72Å; F114-L221 HydrophobicContact CB-CG 4.49Å; F114-L221 HydrophobicContact CD1-CD2 4.32Å; F114-L221 HydrophobicContact CD2-CD2 4.25Å; F114-L221 HydrophobicContact CG-CD2 3.86Å
115S91.8Very high89.6Confident20 Ų2028.7 Ų28.714%0.1416%0.161CC..EExtended strand (participates in β ladder)trans-96.5153.9176.458.30000112.8L14 G117 V118L14-S115 CarbonylContact O-C 3.57Å; L14-S115 WeakPolarHBondContact O-CA 3.3Å; S115-G117 PolarHBondContact O-N 3.05Å; S115-V118 PolarHBondContact O-N 3.1Å
116C83.7Confident89.5Confident0 Ų031.6 Ų31.60%016%0.162CC..THydrogen-bonded Turntrans-64.1104.7167.7-79.60000109.2L14L14-C116 PolarHBondContact O-N 3.4Å
117G86.2Confident89.6Confident0 Ų029.5 Ų29.50%015%0.151CC..THydrogen-bonded Turntrans158.5-26.4-17100000111.4S115 T271 V272S115-G117 PolarHBondContact O-N 3.05Å; G117-T271 WeakPolarHBondContact O-CA 3.26Å; G117-V272 PolarHBondContact O-N 2.64Å
118V91.6Very high89.5Confident2 Ų229.2 Ų29.21%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-75.5128171.1-1730000110.3F114 S115 C219 L221 V269 T271F114-V118 HydrophobicContact CB-CG2 4.39Å; F114-V118 HydrophobicContact CD2-CB 4.21Å; F114-V118 HydrophobicContact CD2-CG2 4.33Å; S115-V118 PolarHBondContact O-N 3.1Å; V118-C219 VanDerWaalsContact CG2-O 3.23Å; V118-C219 WeakPolarHBondContact CG2-O 3.41Å; V118-L221 HydrophobicContact CG1-CD1 3.81Å; V118-L221 HydrophobicContact CG1-CD2 4.27Å; V118-L221 HydrophobicContact CG1-CG 3.88Å; V118-L221 HydrophobicContact CG2-CG 4.48Å; V118-V269 HydrophobicContact CG1-CG1 3.96Å; V118-T271 HydrophobicContact CG2-CG2 4.13Å
119V91.6Very high89.5Confident1 Ų126.1 Ų26.11%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-120.3119.1172.7-176.30000107.3L39 L42 V269 G270 V281 I285 C290L39-V119 HydrophobicContact CD2-CG2 4.08Å; L42-V119 HydrophobicContact CD1-CG1 4.2Å; L42-V119 HydrophobicContact CD1-CG2 3.8Å; V119-V269 CarbonylContact O-C 3.47Å; V119-V269 WeakPolarHBondContact O-CA 3.42Å; V119-G270 PolarHBondContact N-O 2.69Å; V119-G270 PolarHBondContact O-N 2.99Å; V119-V281 HydrophobicContact CB-CG1 4.43Å; V119-V281 HydrophobicContact CG2-CG1 4.16Å; V119-I285 HydrophobicContact CG1-CD1 3.93Å; V119-C290 HydrophobicContact CG1-CB 4.48Å
120S91.2Very high89.6Confident2 Ų228 Ų281%0.01414%0.143CC..EExtended strand (participates in β ladder)trans-145.6143.1-178.6176.30000111.1S122 Y268 F293S120-S122 WeakPolarHBondContact OG-CB 3.47Å; S120-S122 PolarHBondContact OG-N 3.17Å; S120-S122 VanDerWaalsContact OG-N 3.16Å; S120-Y268 VanDerWaalsContact CA-O 3.27Å; S120-Y268 WeakPolarHBondContact CA-O 3.37Å; S120-Y268 PolarHBondContact OG-O 3.14Å; S120-F293 VanDerWaalsContact O-CE2 3.22Å; S120-F293 WeakPolarHBondContact O-CE2 3.41Å
121N89Confident89.6Confident52 Ų5227.4 Ų27.428%0.27814%0.141SC..  trans-102.612.4171.566.6-14000113.4A267 Y268 F291 F293N121-A267 VanDerWaalsContact OD1-CB 3.24Å; N121-A267 WeakPolarHBondContact OD1-CB 3.4Å; N121-Y268 PolarHBondContact N-O 2.87Å; N121-Y268 PolarHBondContact OD1-N 3.49Å; N121-Y268 PolarHBondContact OD1-O 3.14Å; N121-F291 PolarHBondContact ND2-O 3.4Å; N121-F293 HydrophobicContact CB-CD2 4.3Å; N121-F293 HydrophobicContact CB-CE2 4.27Å
122S84.5Confident89.4Confident24 Ų2428.6 Ų28.617%0.16815%0.147CC..  trans-83.7147.9-176.6-168.20000113.9S120 M124 M264 A267S120-S122 WeakPolarHBondContact OG-CB 3.47Å; S120-S122 PolarHBondContact OG-N 3.17Å; S120-S122 VanDerWaalsContact OG-N 3.16Å; S122-M124 PolarHBondContact O-N 2.67Å; S122-M264 WeakPolarHBondContact CB-SD 3.42Å; S122-M264 PolarHBondContact OG-SD 3.16Å; S122-A267 VanDerWaalsContact CB-CB 3.48Å
123S78.5Confident89.4Confident68 Ų6831.8 Ų31.848%0.47617%0.166SC..  trans-83.1102.6162.6-177.70000109.4Q125S123-Q125 PolarHBondContact O-N 3.3Å
124M85.1Confident89.3Confident6 Ų633.3 Ų33.33%0.0317%0.172CC..THydrogen-bonded Turntrans-65.2-1.8178.4-76.6-64-7300114.9F46 I50 L112 S122 K126 V127 F128 V146 L221 V223F46-M124 HydrophobicContact CE1-CG 4.37Å; F46-M124 HydrophobicContact CE2-CG 3.7Å; F46-M124 HydrophobicContact CZ-CB 4.5Å; F46-M124 HydrophobicContact CZ-CG 3.3Å; F46-M124 HydrophobicContact CZ-SD 4.27Å; I50-M124 HydrophobicContact CD1-CB 3.84Å; I50-M124 HydrophobicContact CD1-CG 4.2Å; I50-M124 HydrophobicContact CG1-CB 4.42Å; L112-M124 HydrophobicContact CD1-CE 3.93Å; S122-M124 PolarHBondContact O-N 2.67Å; M124-K126 VanDerWaalsContact C-N 3.31Å; M124-K126 PolarHBondContact O-N 3.13Å; M124-V127 HydrophobicContact CE-CB 4.06Å; M124-V127 HydrophobicContact CE-CG1 4.13Å; M124-V127 HydrophobicContact CE-CG2 4.11Å; M124-V127 WeakPolarHBondContact O-CB 3.41Å; M124-V127 PolarHBondContact O-N 3.42Å; M124-V127 VanDerWaalsContact O-N 3.15Å; M124-V127 HydrophobicContact SD-CB 4.49Å; M124-V127 HydrophobicContact SD-CG2 3.96Å; M124-F128 PolarHBondContact O-N 3.49Å; M124-V146 HydrophobicContact CE-CG2 3.79Å; M124-L221 HydrophobicContact SD-CD1 4.38Å; M124-V223 HydrophobicContact CE-CG2 4.46Å
125Q85.1Confident89.1Confident74 Ų7435.4 Ų35.435%0.34618%0.18SC..Hα-helixtrans-58.7-42.5-173.5-162.6127.7-7.700112.1S123 V127 F128 E129S123-Q125 PolarHBondContact O-N 3.3Å; Q125-V127 PolarHBondContact O-N 2.9Å; Q125-F128 PolarHBondContact O-N 2.89Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.5Å; Q125-E129 WeakPolarHBondContact O-CG 3.41Å; Q125-E129 PolarHBondContact O-N 3.18Å
126K88.4Confident89.1Confident125 Ų12542.6 Ų42.654%0.54321%0.209SC..Hα-helixtrans-60.4-44176.8-65.7-178.3-177.9175.30112.5M124 F128 E129 E130M124-K126 VanDerWaalsContact C-N 3.31Å; M124-K126 PolarHBondContact O-N 3.13Å; K126-F128 VanDerWaalsContact C-N 3.29Å; K126-F128 PolarHBondContact O-N 3.11Å; K126-E129 PolarHBondContact O-N 3.44Å; K126-E130 WeakPolarHBondContact O-CB 3.34Å; K126-E130 PolarHBondContact O-N 3.16Å
127V91.3Very high89.5Confident2 Ų251.1 Ų51.11%0.01225%0.246CC..Hα-helixtrans-60.6-43.7-179.7-173.10000110.3M124 Q125 H131 T144 V146 V223 Y262M124-V127 HydrophobicContact CE-CB 4.06Å; M124-V127 HydrophobicContact CE-CG1 4.13Å; M124-V127 HydrophobicContact CE-CG2 4.11Å; M124-V127 WeakPolarHBondContact O-CB 3.41Å; M124-V127 PolarHBondContact O-N 3.42Å; M124-V127 VanDerWaalsContact O-N 3.15Å; M124-V127 HydrophobicContact SD-CB 4.49Å; M124-V127 HydrophobicContact SD-CG2 3.96Å; Q125-V127 PolarHBondContact O-N 2.9Å; V127-H131 WeakPolarHBondContact O-CB 3.39Å; V127-H131 PolarHBondContact O-N 2.99Å; V127-T144 HydrophobicContact CG1-CG2 4.29Å; V127-V146 HydrophobicContact CG1-CG2 3.97Å; V127-V223 HydrophobicContact CG1-CG2 4.08Å; V127-Y262 HydrophobicContact CB-CD2 4.45Å; V127-Y262 HydrophobicContact CB-CG 4.39Å; V127-Y262 HydrophobicContact CG1-CD1 4.36Å; V127-Y262 HydrophobicContact CG1-CD2 4.24Å; V127-Y262 HydrophobicContact CG1-CG 3.94Å; V127-Y262 HydrophobicContact CG2-CD1 3.63Å; V127-Y262 HydrophobicContact CG2-CD2 4.24Å; V127-Y262 HydrophobicContact CG2-CE1 3.63Å; V127-Y262 HydrophobicContact CG2-CE2 4.19Å; V127-Y262 HydrophobicContact CG2-CG 3.96Å
128F88.5Confident89.6Confident15 Ų1554.6 Ų54.67%0.06626%0.264CS..Hα-helixtrans-69.1-43.7179.2-174.7-105.8000112.5L9 D110 M124 Q125 K126 E130 H131 L132 V223L9-F128 HydrophobicContact CD1-CB 4.03Å; L9-F128 HydrophobicContact CD1-CD1 3.18Å; L9-F128 HydrophobicContact CD1-CD2 4.11Å; L9-F128 HydrophobicContact CD1-CE1 3.48Å; L9-F128 VanDerWaalsContact CD1-CE1 3.48Å; L9-F128 HydrophobicContact CD1-CE2 4.4Å; L9-F128 HydrophobicContact CD1-CG 3.51Å; L9-F128 HydrophobicContact CD1-CZ 4.12Å; L9-F128 HydrophobicContact CD2-CB 4.16Å; L9-F128 HydrophobicContact CD2-CD1 4.09Å; L9-F128 HydrophobicContact CD2-CD2 3.38Å; L9-F128 HydrophobicContact CD2-CE1 4.28Å; L9-F128 HydrophobicContact CD2-CE2 3.67Å; L9-F128 HydrophobicContact CD2-CG 3.61Å; L9-F128 HydrophobicContact CD2-CZ 4.12Å; L9-F128 HydrophobicContact CG-CB 4.45Å; L9-F128 HydrophobicContact CG-CD1 3.53Å; L9-F128 HydrophobicContact CG-CD2 3.66Å; L9-F128 HydrophobicContact CG-CE1 3.43Å; L9-F128 VanDerWaalsContact CG-CE1 3.43Å; L9-F128 HydrophobicContact CG-CE2 3.63Å; L9-F128 HydrophobicContact CG-CG 3.61Å; L9-F128 HydrophobicContact CG-CZ 3.52Å; D110-F128 HydrophobicContact CB-CE2 4.07Å; D110-F128 HydrophobicContact CB-CZ 4.46Å; M124-F128 PolarHBondContact O-N 3.49Å; Q125-F128 PolarHBondContact O-N 2.89Å; K126-F128 VanDerWaalsContact C-N 3.29Å; K126-F128 PolarHBondContact O-N 3.11Å; F128-E130 VanDerWaalsContact C-N 3.29Å; F128-E130 PolarHBondContact O-N 3.43Å; F128-H131 PolarHBondContact O-N 2.97Å; F128-L132 HydrophobicContact CD1-CD1 3.71Å; F128-L132 HydrophobicContact CD1-CG 3.97Å; F128-L132 HydrophobicContact CE1-CD1 3.13Å; F128-L132 HydrophobicContact CE1-CD2 4.15Å; F128-L132 HydrophobicContact CE1-CG 3.58Å; F128-L132 HydrophobicContact CE2-CD2 4.22Å; F128-L132 HydrophobicContact CE2-CG 4.19Å; F128-L132 HydrophobicContact CG-CG 4.48Å; F128-L132 HydrophobicContact CZ-CD1 3.63Å; F128-L132 HydrophobicContact CZ-CD2 3.74Å; F128-L132 HydrophobicContact CZ-CG 3.66Å; F128-L132 WeakPolarHBondContact O-CB 3.39Å; F128-L132 WeakPolarHBondContact O-CG 3.45Å; F128-L132 PolarHBondContact O-N 3.32Å; F128-V223 HydrophobicContact CD2-CG1 3.72Å; F128-V223 HydrophobicContact CE2-CG1 4.2Å
129E89.5Confident89.5Confident106 Ų10662.5 Ų62.550%0.49530%0.298SS..Hα-helixtrans-59.4-41.3176.1-75172.9-167.100111.8Q125 K126 T133Q125-E129 WeakPolarHBondContact CG-OE1 3.5Å; Q125-E129 WeakPolarHBondContact O-CG 3.41Å; Q125-E129 PolarHBondContact O-N 3.18Å; K126-E129 PolarHBondContact O-N 3.44Å; E129-T133 VanDerWaalsContact O-CB 3.3Å; E129-T133 WeakPolarHBondContact O-CB 3.44Å; E129-T133 PolarHBondContact O-N 3.12Å; E129-T133 PolarHBondContact O-OG1 3.27Å
130E92.2Very high89.4Confident72 Ų7263.8 Ų63.834%0.33631%0.308SS..Hα-helixtrans-66.1-44.1175.9-165.6179.3135.700111.4K126 F128 T133 R134 Y262K126-E130 WeakPolarHBondContact O-CB 3.34Å; K126-E130 PolarHBondContact O-N 3.16Å; F128-E130 VanDerWaalsContact C-N 3.29Å; F128-E130 PolarHBondContact O-N 3.43Å; E130-T133 PolarHBondContact O-N 2.88Å; E130-R134 WeakPolarHBondContact O-CG 3.45Å; E130-R134 PolarHBondContact O-N 2.84Å; E130-R134 IonicContact OE1-CZ 3Å; E130-R134 IonicContact OE1-NH1 3.26Å; E130-R134 PolarHBondContact OE1-NH1 3Å; E130-R134 IonicContact OE1-NH2 3.79Å; E130-R134 PolarHBondContact OE1-NH2 3.29Å; E130-Y262 WeakPolarHBondContact OE2-CD2 3.33Å; E130-Y262 WeakPolarHBondContact OE2-CE2 3.33Å
131H93.2Very high89.5Confident0 Ų063.8 Ų63.80%031%0.307CS..Hα-helixtrans-59-49.1174.3-18082.9000111.9V127 F128 T133 R134 R135 T144 V223V127-H131 WeakPolarHBondContact O-CB 3.39Å; V127-H131 PolarHBondContact O-N 2.99Å; F128-H131 PolarHBondContact O-N 2.97Å; H131-T133 VanDerWaalsContact C-N 3.29Å; H131-T133 PolarHBondContact O-N 3.26Å; H131-R134 WeakPolarHBondContact O-CB 3.34Å; H131-R134 PolarHBondContact O-N 2.74Å; H131-R135 PolarHBondContact O-N 3.47Å; H131-T144 PolarHBondContact ND1-OG1 3.12Å; H131-V223 HydrophobicContact CB-CB 4.45Å; H131-V223 HydrophobicContact CB-CG1 3.9Å
132L91.8Very high89.7Confident25 Ų2561.3 Ų61.313%0.13129%0.294CS..Hα-helixtrans-61.6-38.4176.9-74.7-172000112.1D110 F128 R134 R135 K136D110-L132 HydrophobicContact CB-CD2 4.3Å; D110-L132 VanDerWaalsContact OD2-CD2 3.24Å; D110-L132 WeakPolarHBondContact OD2-CD2 3.37Å; F128-L132 HydrophobicContact CD1-CD1 3.71Å; F128-L132 HydrophobicContact CD1-CG 3.97Å; F128-L132 HydrophobicContact CE1-CD1 3.13Å; F128-L132 HydrophobicContact CE1-CD2 4.15Å; F128-L132 HydrophobicContact CE1-CG 3.58Å; F128-L132 HydrophobicContact CE2-CD2 4.22Å; F128-L132 HydrophobicContact CE2-CG 4.19Å; F128-L132 HydrophobicContact CG-CG 4.48Å; F128-L132 HydrophobicContact CZ-CD1 3.63Å; F128-L132 HydrophobicContact CZ-CD2 3.74Å; F128-L132 HydrophobicContact CZ-CG 3.66Å; F128-L132 WeakPolarHBondContact O-CB 3.39Å; F128-L132 WeakPolarHBondContact O-CG 3.45Å; F128-L132 PolarHBondContact O-N 3.32Å; L132-R134 VanDerWaalsContact C-N 3.35Å; L132-R135 PolarHBondContact O-N 3.25Å; L132-K136 WeakPolarHBondContact O-CB 3.41Å; L132-K136 VanDerWaalsContact O-CG 3.25Å; L132-K136 WeakPolarHBondContact O-CG 3.48Å; L132-K136 PolarHBondContact O-N 3.07Å
133T93.3Very high90.2Very high68 Ų6860.1 Ų60.142%0.41729%0.286SS..Hα-helixtrans-66.2-39.6177.2-59.10000111.1E129 E130 H131 K137E129-T133 VanDerWaalsContact O-CB 3.3Å; E129-T133 WeakPolarHBondContact O-CB 3.44Å; E129-T133 PolarHBondContact O-N 3.12Å; E129-T133 PolarHBondContact O-OG1 3.27Å; E130-T133 PolarHBondContact O-N 2.88Å; H131-T133 VanDerWaalsContact C-N 3.29Å; H131-T133 PolarHBondContact O-N 3.26Å; T133-K137 PolarHBondContact O-N 3.09Å
134R93.7Very high91.1Very high36 Ų3656.9 Ų56.914%0.13626%0.263CS..Hα-helixtrans-62.4-50.2170.9-77.5-172.2-75.8-113.5-9.7111.4E130 H131 L132 K136 K137 N138 T144E130-R134 WeakPolarHBondContact O-CG 3.45Å; E130-R134 PolarHBondContact O-N 2.84Å; E130-R134 IonicContact OE1-CZ 3Å; E130-R134 IonicContact OE1-NH1 3.26Å; E130-R134 PolarHBondContact OE1-NH1 3Å; E130-R134 IonicContact OE1-NH2 3.79Å; E130-R134 PolarHBondContact OE1-NH2 3.29Å; H131-R134 WeakPolarHBondContact O-CB 3.34Å; H131-R134 PolarHBondContact O-N 2.74Å; L132-R134 VanDerWaalsContact C-N 3.35Å; R134-K136 VanDerWaalsContact C-N 3.29Å; R134-K136 PolarHBondContact O-N 3.05Å; R134-K137 CarbonylContact O-C 3.59Å; R134-K137 WeakPolarHBondContact O-CA 3.24Å; R134-K137 PolarHBondContact O-N 2.97Å; R134-N138 PolarHBondContact O-N 2.6Å; R134-T144 PolarHBondContact NH2-OG1 3.24Å
135R91.7Very high91.6Very high45 Ų4556.6 Ų56.617%0.1726%0.262CS..Hα-helixtrans-58.6-36.8178.2-80.7-142.572.2179.98.4113.8D110 H131 L132 K137 N138 K139 C141D110-R135 VanDerWaalsContact OD1-CD 3.31Å; D110-R135 WeakPolarHBondContact OD1-CD 3.42Å; D110-R135 IonicContact OD1-CZ 3.04Å; D110-R135 IonicContact OD1-NE 2.85Å; D110-R135 IonicContact OD1-NH1 3.62Å; D110-R135 PolarHBondContact OD1-NH1 3.33Å; D110-R135 IonicContact OD2-NH1 3.77Å; H131-R135 PolarHBondContact O-N 3.47Å; L132-R135 PolarHBondContact O-N 3.25Å; R135-K137 VanDerWaalsContact C-N 3.28Å; R135-K137 PolarHBondContact O-N 3.36Å; R135-N138 VanDerWaalsContact CA-O 3.32Å; R135-N138 WeakPolarHBondContact CA-O 3.19Å; R135-N138 CarbonylContact O-C 3.32Å; R135-K139 PolarHBondContact NH2-O 3.06Å; R135-K139 VanDerWaalsContact NH2-O 3.1Å; R135-C141 HydrophobicContact CG-CB 4.19Å
136K91.4Very high92Very high171 Ų17153.1 Ų53.174%0.74325%0.246SC*.Hα-helixtrans-63.4-34.2175-77170.5-173.4170.20112.1L132 R134L132-K136 WeakPolarHBondContact O-CB 3.41Å; L132-K136 VanDerWaalsContact O-CG 3.25Å; L132-K136 WeakPolarHBondContact O-CG 3.48Å; L132-K136 PolarHBondContact O-N 3.07Å; R134-K136 VanDerWaalsContact C-N 3.29Å; R134-K136 PolarHBondContact O-N 3.05Å
137K91.6Very high92.2Very high180 Ų18047.1 Ų47.178%0.78322%0.22SC*.Hα-helixtrans-83.2-46.9177.8-67.9177.5-178.6178.30111.8T133 R134 R135T133-K137 PolarHBondContact O-N 3.09Å; R134-K137 CarbonylContact O-C 3.59Å; R134-K137 WeakPolarHBondContact O-CA 3.24Å; R134-K137 PolarHBondContact O-N 2.97Å; R135-K137 VanDerWaalsContact C-N 3.28Å; R135-K137 PolarHBondContact O-N 3.36Å
138N89.4Confident92.2Very high72 Ų7248 Ų4839%0.38523%0.225SC..  trans-127.2110.4178.8-1746000110.3R134 R135 S140 C141R134-N138 PolarHBondContact O-N 2.6Å; R135-N138 VanDerWaalsContact CA-O 3.32Å; R135-N138 WeakPolarHBondContact CA-O 3.19Å; R135-N138 CarbonylContact O-C 3.32Å; N138-S140 VanDerWaalsContact CG-OG 3.3Å; N138-S140 PolarHBondContact ND2-OG 2.91Å; N138-S140 PolarHBondContact O-N 3.37Å; N138-S140 PolarHBondContact OD1-N 3.36Å; N138-S140 VanDerWaalsContact OD1-N 3.07Å; N138-S140 PolarHBondContact OD1-OG 3.37Å; N138-C141 PolarHBondContact O-N 3.38Å
139K88.8Confident92.3Very high168 Ų16849.8 Ų49.873%0.7324%0.238SC*.THydrogen-bonded Turntrans-67.3-18.9-179.7-73.9-173.1177.9-179.20113.5R135 C141R135-K139 PolarHBondContact NH2-O 3.06Å; R135-K139 VanDerWaalsContact NH2-O 3.1Å; K139-C141 VanDerWaalsContact C-N 3.28Å
140S89.3Confident92.2Very high29 Ų2944.9 Ų44.920%0.20322%0.216CC..THydrogen-bonded Turntrans-82.2-0.2179.677.70000114.3N138 L142 G256 N257 T258N138-S140 VanDerWaalsContact CG-OG 3.3Å; N138-S140 PolarHBondContact ND2-OG 2.91Å; N138-S140 PolarHBondContact O-N 3.37Å; N138-S140 PolarHBondContact OD1-N 3.36Å; N138-S140 VanDerWaalsContact OD1-N 3.07Å; N138-S140 PolarHBondContact OD1-OG 3.37Å; S140-L142 PolarHBondContact O-N 3.23Å; S140-G256 WeakPolarHBondContact CB-O 3.23Å; S140-G256 PolarHBondContact OG-O 3.05Å; S140-N257 WeakPolarHBondContact O-CA 3.42Å; S140-T258 PolarHBondContact O-N 3.11Å
141C93.3Very high91.8Very high1 Ų145.5 Ų45.51%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-65.2107.3169.2177.90000109.3R135 N138 K139R135-C141 HydrophobicContact CG-CB 4.19Å; N138-C141 PolarHBondContact O-N 3.38Å; K139-C141 VanDerWaalsContact C-N 3.28Å
142L93.7Very high91Very high0 Ų049.8 Ų49.80%025%0.245CC..EExtended strand (participates in β ladder)trans-84.2-47-171.8-178.273.4000111.4S140 S225 Q227 V228 L231 V248 N257 T258S140-L142 PolarHBondContact O-N 3.23Å; L142-S225 WeakPolarHBondContact O-CB 3.26Å; L142-S225 PolarHBondContact O-N 3.3Å; L142-S225 PolarHBondContact O-OG 3.04Å; L142-Q227 HydrophobicContact CD1-CB 3.92Å; L142-V228 HydrophobicContact CD1-CG2 3.93Å; L142-V228 HydrophobicContact CD2-CG2 4.47Å; L142-V228 HydrophobicContact CG-CG2 3.89Å; L142-L231 HydrophobicContact CD1-CD1 3.54Å; L142-L231 HydrophobicContact CD2-CD1 3.62Å; L142-L231 HydrophobicContact CG-CD1 4.23Å; L142-V248 HydrophobicContact CD2-CG1 4.29Å; L142-V248 HydrophobicContact CD2-CG2 3.62Å; L142-N257 HydrophobicContact CB-CB 4.23Å; L142-N257 HydrophobicContact CD2-CB 4.49Å; L142-T258 PolarHBondContact N-O 3.07Å
143M95Very high90.3Very high0 Ų055.7 Ų55.70%028%0.276CS..EExtended strand (participates in β ladder)trans-152.5157.3-17774.2-173-54.800112.8M145 Y222 V223 M241 I245 I259 H260M143-M145 HydrophobicContact CE-CG 4.13Å; M143-Y222 HydrophobicContact CE-CD1 3.39Å; M143-Y222 HydrophobicContact CE-CE1 4.06Å; M143-Y222 HydrophobicContact CE-CG 4Å; M143-V223 CarbonylContact C-O 3.52Å; M143-V223 VanDerWaalsContact CA-O 3.24Å; M143-V223 WeakPolarHBondContact CA-O 3.5Å; M143-M241 HydrophobicContact CE-CE 3.32Å; M143-M241 HydrophobicContact SD-CE 4.44Å; M143-I245 HydrophobicContact SD-CG1 4.04Å; M143-I259 HydrophobicContact CG-CB 4.21Å; M143-I259 HydrophobicContact CG-CD1 4.19Å; M143-I259 HydrophobicContact CG-CG1 3.85Å; M143-I259 HydrophobicContact CG-CG2 3.72Å; M143-I259 HydrophobicContact SD-CD1 3.83Å; M143-I259 HydrophobicContact SD-CG1 4.18Å; M143-I259 HydrophobicContact SD-CG2 4.25Å; M143-H260 PolarHBondContact O-N 3.08Å
144T96Very high89.8Confident0 Ų055.3 Ų55.30%027%0.27CS..EExtended strand (participates in β ladder)trans-122.1118.8168.6-62.70000109.7V127 H131 R134 V223 H260V127-T144 HydrophobicContact CG1-CG2 4.29Å; H131-T144 PolarHBondContact ND1-OG1 3.12Å; R134-T144 PolarHBondContact NH2-OG1 3.24Å; T144-V223 PolarHBondContact N-O 2.99Å; T144-V223 PolarHBondContact O-N 3.36Å; T144-H260 CarbonylContact C-O 3.56Å; T144-H260 VanDerWaalsContact CA-O 3.22Å; T144-H260 WeakPolarHBondContact CA-O 3.49Å
145M95.6Very high89Confident0 Ų056.9 Ų56.90%028%0.284CS..EExtended strand (participates in β ladder)trans-90.5140.3176.7-56171.169.800109.9M143 Y147 L174 F177 Y222 I245 I259 H260 V261 Y262M143-M145 HydrophobicContact CE-CG 4.13Å; M145-Y147 HydrophobicContact CB-CD2 4.21Å; M145-Y147 HydrophobicContact CB-CE2 3.78Å; M145-Y147 HydrophobicContact CE-CE2 3.69Å; M145-Y147 WeakPolarHBondContact CE-OH 3.37Å; M145-Y147 HydrophobicContact SD-CE2 4.36Å; M145-L174 HydrophobicContact SD-CD2 3.99Å; M145-F177 HydrophobicContact CE-CE2 4.47Å; M145-Y222 HydrophobicContact CB-CD1 4.31Å; M145-Y222 HydrophobicContact CB-CE1 4.38Å; M145-Y222 HydrophobicContact CE-CE1 3.98Å; M145-Y222 HydrophobicContact CG-CD1 3.87Å; M145-Y222 HydrophobicContact CG-CE1 3.91Å; M145-I245 HydrophobicContact CE-CD1 3.4Å; M145-I245 VanDerWaalsContact CE-CD1 3.4Å; M145-I245 HydrophobicContact CE-CG1 4.47Å; M145-I245 HydrophobicContact SD-CD1 3.7Å; M145-I245 HydrophobicContact SD-CG1 4.18Å; M145-I259 HydrophobicContact CG-CG2 4.08Å; M145-I259 HydrophobicContact SD-CG2 3.8Å; M145-H260 PolarHBondContact N-O 2.81Å; M145-V261 HydrophobicContact CB-CG2 4.48Å; M145-V261 CarbonylContact O-C 3.54Å; M145-V261 WeakPolarHBondContact O-CA 3.46Å; M145-Y262 PolarHBondContact O-N 3.14Å
146V94.3Very high88.5Confident0 Ų055 Ų550%028%0.278CS..EExtended strand (participates in β ladder)trans-101.9128.4177.5-1740000110.3M124 V127 C219 L221 Y262 M264M124-V146 HydrophobicContact CE-CG2 3.79Å; V127-V146 HydrophobicContact CG1-CG2 3.97Å; V146-C219 HydrophobicContact CB-CB 4.48Å; V146-C219 WeakPolarHBondContact O-CB 3.42Å; V146-C219 PolarHBondContact O-N 2.81Å; V146-L221 HydrophobicContact CB-CB 3.91Å; V146-L221 HydrophobicContact CG2-CB 3.94Å; V146-L221 PolarHBondContact N-O 2.95Å; V146-Y262 WeakPolarHBondContact CA-O 3.48Å; V146-M264 HydrophobicContact CG1-CB 4.13Å; V146-M264 HydrophobicContact CG1-SD 4.43Å
147Y93.1Very high88Confident0 Ų047.4 Ų47.40%025%0.245CC..EExtended strand (participates in β ladder)trans-124.9152.5175-78-100.1000110.7M145 Q163 L165 L216 M217 D218 V261 Y262 K263 M264M145-Y147 HydrophobicContact CB-CD2 4.21Å; M145-Y147 HydrophobicContact CB-CE2 3.78Å; M145-Y147 HydrophobicContact CE-CE2 3.69Å; M145-Y147 WeakPolarHBondContact CE-OH 3.37Å; M145-Y147 HydrophobicContact SD-CE2 4.36Å; Y147-Q163 PolarHBondContact OH-OE1 3.18Å; Y147-L165 HydrophobicContact CD1-CD1 3.96Å; Y147-L165 HydrophobicContact CD2-CD1 4.34Å; Y147-L165 HydrophobicContact CE1-CD1 3.57Å; Y147-L165 HydrophobicContact CE2-CD1 3.96Å; Y147-L165 HydrophobicContact CG-CD1 4.33Å; Y147-L216 HydrophobicContact CD1-CB 3.68Å; Y147-L216 HydrophobicContact CE1-CB 4.5Å; Y147-L216 HydrophobicContact CG-CB 4.2Å; Y147-M217 WeakPolarHBondContact CA-O 3.42Å; Y147-M217 WeakPolarHBondContact CD1-O 3.28Å; Y147-D218 HydrophobicContact CD1-CB 4.17Å; Y147-D218 VanDerWaalsContact CE1-CA 3.46Å; Y147-D218 HydrophobicContact CE1-CB 3.52Å; Y147-V261 HydrophobicContact CD2-CG1 3.66Å; Y147-V261 HydrophobicContact CD2-CG2 4.26Å; Y147-V261 HydrophobicContact CE2-CG1 4.42Å; Y147-V261 HydrophobicContact CE2-CG2 4.22Å; Y147-V261 HydrophobicContact CG-CG1 4.24Å; Y147-Y262 PolarHBondContact N-O 3.41Å; Y147-K263 CarbonylContact O-C 3.57Å; Y147-K263 WeakPolarHBondContact O-CA 3.37Å; Y147-M264 PolarHBondContact O-N 3.39Å
148V91.7Very high87.3Confident20 Ų2039.2 Ų39.212%0.12121%0.21CC..EExtended strand (participates in β ladder)trans-113.8134170.7169.70000108.7A150 M217 C219 M264 V269V148-A150 PolarHBondContact O-N 3.06Å; V148-A150 VanDerWaalsContact O-N 3.16Å; V148-M217 PolarHBondContact N-O 3.09Å; V148-M217 PolarHBondContact O-N 2.98Å; V148-C219 VanDerWaalsContact CG2-SG 3.57Å; V148-M264 HydrophobicContact CG2-CB 4.15Å; V148-V269 HydrophobicContact CG2-CB 3.91Å; V148-V269 HydrophobicContact CG2-CG2 3.7Å
149P90.3Very high86.6Confident53 Ų5339.7 Ų39.734%0.34421%0.206SC..EExtended strand (participates in β ladder)trans-62.3115.9171-21.935000110.6D215 L216 M264 E265P149-D215 CarbonylContact C-O 3.58Å; P149-D215 WeakPolarHBondContact CA-O 3.48Å; P149-L216 HydrophobicContact CG-CD2 4.3Å; P149-M264 VanDerWaalsContact CD-O 3.31Å; P149-M264 WeakPolarHBondContact CD-O 3.46Å; P149-E265 HydrophobicContact CG-CG 4Å
150A86.6Confident85.7Confident3 Ų333.4 Ų33.43%0.02518%0.18CC..  trans-144.3127.8178.400000110.6V148 H154 R157 D215 M217V148-A150 PolarHBondContact O-N 3.06Å; V148-A150 VanDerWaalsContact O-N 3.16Å; A150-H154 HydrophobicContact CB-CB 4.01Å; A150-R157 PolarHBondContact O-NH1 2.61Å; A150-D215 CarbonylContact C-O 3.6Å; A150-D215 PolarHBondContact N-O 2.9Å; A150-D215 CarbonylContact O-C 3.57Å; A150-D215 VanDerWaalsContact O-C 3.27Å; A150-D215 WeakPolarHBondContact O-CA 3.24Å; A150-M217 HydrophobicContact CB-CB 3.82Å; A150-M217 HydrophobicContact CB-SD 4.5Å
151P83.3Confident85.1Confident84 Ų8434.1 Ų34.155%0.54518%0.18SC..  trans-61.6156.9178.726.9-34.2000111N153 H154P151-N153 PolarHBondContact O-N 3.22Å; P151-H154 HydrophobicContact CG-CB 4.21Å; P151-H154 WeakPolarHBondContact O-CB 3.35Å; P151-H154 PolarHBondContact O-N 2.69Å
152K76.9Confident84.4Confident91 Ų9134.4 Ų34.440%0.39618%0.182SC..THydrogen-bonded Turntrans-53.5-31.7-179.2-66.5-174.1175.1-173.50114H154K152-H154 VanDerWaalsContact C-N 3.29Å; K152-H154 PolarHBondContact O-N 2.9Å
153N78.2Confident84Confident148 Ų14834.6 Ų34.679%0.79118%0.183SC*.THydrogen-bonded Turntrans-89.210.7-179.1-61.4-16.1000113.4P151P151-N153 PolarHBondContact O-N 3.22Å
154H81.4Confident83.6Confident61 Ų6134.9 Ų34.928%0.28219%0.185SC..  trans-66.8130.5-178.3-169.2-90.6000110.7A150 P151 K152 C156 R157A150-H154 HydrophobicContact CB-CB 4.01Å; P151-H154 HydrophobicContact CG-CB 4.21Å; P151-H154 WeakPolarHBondContact O-CB 3.35Å; P151-H154 PolarHBondContact O-N 2.69Å; K152-H154 VanDerWaalsContact C-N 3.29Å; K152-H154 PolarHBondContact O-N 2.9Å; H154-C156 PolarHBondContact ND1-N 3.23Å; H154-C156 PolarHBondContact O-N 3.01Å; H154-C156 VanDerWaalsContact O-N 3.16Å; H154-R157 HydrophobicContact CB-CB 4.39Å; H154-R157 VanDerWaalsContact O-CB 3.24Å; H154-R157 WeakPolarHBondContact O-CB 3.06Å; H154-R157 PolarHBondContact O-N 2.93Å
155P78.4Confident83.3Confident68 Ų6835 Ų3544%0.44219%0.185SC..THydrogen-bonded Turntrans-66.7-19.8-172.625.4-35000114.3R157 H276 S280P155-R157 VanDerWaalsContact C-N 3.28Å; P155-H276 PolarHBondContact O-NE2 3.03Å; P155-S280 WeakPolarHBondContact O-CB 3.48Å; P155-S280 PolarHBondContact O-OG 3.04Å
156C80Confident83Confident5 Ų536.8 Ų36.83%0.03419%0.193CC..THydrogen-bonded Turntrans-83.8-4.4174.2-60.10000113.9H154 M217 T277 N284H154-C156 PolarHBondContact ND1-N 3.23Å; H154-C156 PolarHBondContact O-N 3.01Å; H154-C156 VanDerWaalsContact O-N 3.16Å; C156-M217 HydrophobicContact CB-CE 4.48Å; C156-M217 HydrophobicContact CB-SD 4.04Å; C156-T277 WeakPolarHBondContact O-CG2 3.45Å; C156-N284 PolarHBondContact SG-ND2 3.18Å
157R80.6Confident82.8Confident13 Ų1337.5 Ų37.55%0.04920%0.196CC..  trans-87.8117.9-176.1-168.1172.1174.4153.2-1.5109.3A150 H154 P155 D162 C214 M217A150-R157 PolarHBondContact O-NH1 2.61Å; H154-R157 HydrophobicContact CB-CB 4.39Å; H154-R157 VanDerWaalsContact O-CB 3.24Å; H154-R157 WeakPolarHBondContact O-CB 3.06Å; H154-R157 PolarHBondContact O-N 2.93Å; P155-R157 VanDerWaalsContact C-N 3.28Å; R157-D162 WeakPolarHBondContact CD-OD1 3.23Å; R157-D162 WeakPolarHBondContact CG-OD1 3.41Å; R157-D162 IonicContact CZ-OD1 2.68Å; R157-D162 IonicContact NE-OD1 2.89Å; R157-D162 PolarHBondContact NE-OD1 2.81Å; R157-D162 IonicContact NE-OD2 2.95Å; R157-D162 IonicContact NH2-OD1 2.98Å; R157-D162 IonicContact NH2-OD2 2.89Å; R157-C214 PolarHBondContact NH1-O 3.42Å; R157-C214 PolarHBondContact NH2-O 2.85Å; R157-M217 HydrophobicContact CB-SD 4.41Å
158S77.6Confident82.7Confident8 Ų839.7 Ų39.76%0.05621%0.208CC..  trans-79.7122.8170.9179.90000109.2L160 H161 D162 D274S158-L160 PolarHBondContact O-N 3.37Å; S158-L160 PolarHBondContact OG-N 3.25Å; S158-H161 CarbonylContact O-C 3.57Å; S158-H161 PolarHBondContact O-N 2.83Å; S158-D162 PolarHBondContact O-N 2.96Å; S158-D274 VanDerWaalsContact CB-OD2 3.3Å; S158-D274 WeakPolarHBondContact CB-OD2 3.09Å; S158-D274 PolarHBondContact OG-OD2 3.47Å
159R74Confident82.4Confident81 Ų8144.3 Ų44.331%0.30624%0.239SC..G310 helixtrans-62.2-21.6175.6-64.3-174177-159.7-4.4113.4H161 S185 C186 P458R159-H161 PolarHBondContact O-N 3.39Å; R159-S185 PolarHBondContact O-OG 2.99Å; R159-C186 PolarHBondContact NH1-SG 3.18Å; R159-P458 VanDerWaalsContact CZ-CB 3.46Å; R159-P458 VanDerWaalsContact NH2-CB 3.3Å
160L71.3Confident82.3Confident36 Ų3651.1 Ų51.119%0.18826%0.263CS..G310 helixtrans-74.7-14177.5-60.6171000112.4R21 S158 Q179 F182R21-L160 VanDerWaalsContact CZ-CD1 3.45Å; S158-L160 PolarHBondContact O-N 3.37Å; S158-L160 PolarHBondContact OG-N 3.25Å; L160-Q179 PolarHBondContact O-NE2 2.97Å; L160-F182 HydrophobicContact CD2-CD2 4.47Å
161H75.7Confident82.5Confident44 Ų4453 Ų5320%0.20428%0.275CS..G310 helixtrans-12524.7-179.4-62.5-73.8000111R21 S158 R159 Q163 R273R21-H161 PolarHBondContact NH1-NE2 3.14Å; S158-H161 CarbonylContact O-C 3.57Å; S158-H161 PolarHBondContact O-N 2.83Å; R159-H161 PolarHBondContact O-N 3.39Å; H161-Q163 PolarHBondContact O-N 3.39Å; H161-R273 VanDerWaalsContact CD2-CD 3.47Å; H161-R273 WeakPolarHBondContact CD2-CD 3.49Å
162D79.6Confident82.9Confident7 Ų751.2 Ų51.24%0.03726%0.261CS..  trans-67.1127.6171-89.110.6000108.9R157 S158 L180R157-D162 WeakPolarHBondContact CD-OD1 3.23Å; R157-D162 WeakPolarHBondContact CG-OD1 3.41Å; R157-D162 IonicContact CZ-OD1 2.68Å; R157-D162 IonicContact NE-OD1 2.89Å; R157-D162 PolarHBondContact NE-OD1 2.81Å; R157-D162 IonicContact NE-OD2 2.95Å; R157-D162 IonicContact NH2-OD1 2.98Å; R157-D162 IonicContact NH2-OD2 2.89Å; S158-D162 PolarHBondContact O-N 2.96Å; D162-L180 HydrophobicContact CB-CB 4.31Å; D162-L180 HydrophobicContact CB-CD1 4.31Å; D162-L180 PolarHBondContact O-N 2.92Å
163Q84.9Confident83.6Confident4 Ų448.5 Ų48.52%0.01925%0.25CS..EExtended strand (participates in β ladder)trans-124.2146.3-176.4-68.5167.4-2.900109.5Y147 H161 F177 Q178 E242Y147-Q163 PolarHBondContact OH-OE1 3.18Å; H161-Q163 PolarHBondContact O-N 3.39Å; Q163-F177 HydrophobicContact CB-CE2 4.46Å; Q163-F177 HydrophobicContact CG-CE2 4.05Å; Q163-F177 HydrophobicContact CG-CZ 4.17Å; Q163-Q178 CarbonylContact C-O 3.57Å; Q163-Q178 WeakPolarHBondContact CA-O 3.4Å; Q163-E242 PolarHBondContact NE2-OE1 2.93Å; Q163-E242 VanDerWaalsContact NE2-OE1 3.1Å
164L85.8Confident84.3Confident7 Ų741.4 Ų41.44%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-109.7119.5173.1-173.172.8000108Q178 L180 F207 C212 C214L164-Q178 HydrophobicContact CB-CB 4.36Å; L164-Q178 PolarHBondContact N-O 3.48Å; L164-Q178 PolarHBondContact O-N 3.02Å; L164-L180 HydrophobicContact CB-CD2 4.45Å; L164-L180 HydrophobicContact CB-CG 4.47Å; L164-F207 HydrophobicContact CD2-CE1 4Å; L164-F207 HydrophobicContact CD2-CZ 4.35Å; L164-C212 HydrophobicContact CD1-CB 3.42Å; L164-C212 VanDerWaalsContact CD1-CB 3.42Å; L164-C212 HydrophobicContact CD2-CB 4.3Å; L164-C212 HydrophobicContact CG-CB 3.82Å; L164-C214 WeakPolarHBondContact CD1-SG 3.35Å
165L89.5Confident84.6Confident1 Ų142.1 Ų42.11%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-116.2138.9-178-54.9174.6000110.2Y147 L167 L174 F177 C212 E213 L216Y147-L165 HydrophobicContact CD1-CD1 3.96Å; Y147-L165 HydrophobicContact CD2-CD1 4.34Å; Y147-L165 HydrophobicContact CE1-CD1 3.57Å; Y147-L165 HydrophobicContact CE2-CD1 3.96Å; Y147-L165 HydrophobicContact CG-CD1 4.33Å; L165-L167 HydrophobicContact CB-CD2 4.44Å; L165-L174 HydrophobicContact CB-CD1 4.25Å; L165-L174 HydrophobicContact CD2-CD1 3.8Å; L165-F177 HydrophobicContact CD2-CD2 3.55Å; L165-F177 HydrophobicContact CD2-CE2 4.18Å; L165-C212 CarbonylContact O-C 3.55Å; L165-C212 WeakPolarHBondContact O-CA 3Å; L165-E213 PolarHBondContact N-O 2.83Å; L165-E213 PolarHBondContact O-N 3.27Å; L165-L216 HydrophobicContact CD1-CB 4.26Å; L165-L216 HydrophobicContact CD1-CD1 3.82Å
166K89.6Confident84.9Confident39 Ų3943.3 Ų43.317%0.1721%0.214CC..EExtended strand (participates in β ladder)trans-113.1120.6163.3-172.7172.6-176.4167.90108.5L175 R176K166-L175 HydrophobicContact CG-CB 4.44Å; K166-L175 WeakPolarHBondContact O-CB 3.48Å; K166-L175 PolarHBondContact O-N 3.36Å; K166-R176 HydrophobicContact CB-CB 3.92Å; K166-R176 PolarHBondContact N-O 3.28Å; K166-R176 PolarHBondContact O-N 2.93Å
167L90.7Very high85.3Confident14 Ų1443.9 Ų43.97%0.07322%0.216CC..EExtended strand (participates in β ladder)trans-112.1146.6-178-55.8-179.6000110.6L165 P169 Q173 L174 L216 V261L165-L167 HydrophobicContact CB-CD2 4.44Å; L167-P169 WeakPolarHBondContact O-CD 3.47Å; L167-Q173 CarbonylContact C-O 3.48Å; L167-Q173 VanDerWaalsContact CA-O 3.28Å; L167-Q173 WeakPolarHBondContact CA-O 3.46Å; L167-L174 HydrophobicContact CD2-CB 4.32Å; L167-L174 HydrophobicContact CD2-CD1 3.73Å; L167-L216 HydrophobicContact CD1-CD1 4.07Å; L167-V261 HydrophobicContact CD1-CB 4.13Å; L167-V261 HydrophobicContact CD1-CG1 4.15Å; L167-V261 HydrophobicContact CD2-CB 3.93Å; L167-V261 HydrophobicContact CD2-CG2 3.63Å
168D90.2Very high85.5Confident47 Ų4745.3 Ų45.325%0.25122%0.223SC..  trans-69.8120163.5171.338.5000109.1K170 S171 N172 Q173 L175D168-K170 PolarHBondContact O-N 3.46Å; D168-S171 PolarHBondContact O-N 3.47Å; D168-S171 VanDerWaalsContact OD2-CB 3.27Å; D168-S171 WeakPolarHBondContact OD2-CB 3.41Å; D168-S171 PolarHBondContact OD2-N 3.16Å; D168-S171 PolarHBondContact OD2-OG 3.16Å; D168-N172 VanDerWaalsContact O-CA 3.28Å; D168-N172 WeakPolarHBondContact O-CA 3.28Å; D168-N172 PolarHBondContact O-N 3Å; D168-Q173 HydrophobicContact CB-CB 4.18Å; D168-Q173 PolarHBondContact N-O 3.25Å; D168-L175 HydrophobicContact CB-CD1 4.14Å; D168-L175 HydrophobicContact CB-CD2 4.44Å; D168-L175 HydrophobicContact CB-CG 4.35Å
169P86.6Confident85.7Confident117 Ų11748.2 Ų48.276%0.7624%0.235SC*.THydrogen-bonded Turntrans-62.8-18.8-174.522-34.1000114.6L167L167-P169 WeakPolarHBondContact O-CD 3.47Å
170K88.6Confident85.7Confident196 Ų19645 Ų4585%0.85222%0.224SC*.THydrogen-bonded Turntrans-92.5-42.2-179.5-68.6-178.7-177.8173.70113.2D168D168-K170 PolarHBondContact O-N 3.46Å
171S89.3Confident85.4Confident41 Ų4145 Ų4529%0.28723%0.233SC..THydrogen-bonded Turntrans-105.5-7.3-173.168.30000114.2D168 Q173 H260D168-S171 PolarHBondContact O-N 3.47Å; D168-S171 VanDerWaalsContact OD2-CB 3.27Å; D168-S171 WeakPolarHBondContact OD2-CB 3.41Å; D168-S171 PolarHBondContact OD2-N 3.16Å; D168-S171 PolarHBondContact OD2-OG 3.16Å; S171-Q173 PolarHBondContact O-N 2.96Å; S171-Q173 VanDerWaalsContact O-N 3.16Å; S171-Q173 VanDerWaalsContact OG-CB 3.24Å; S171-Q173 WeakPolarHBondContact OG-CB 3.5Å; S171-Q173 PolarHBondContact OG-N 3.08Å; S171-H260 PolarHBondContact O-ND1 3.39Å; S171-H260 VanDerWaalsContact O-ND1 3.17Å
172N91.9Very high84.5Confident47 Ų4744.9 Ų44.925%0.25123%0.232SC..  trans50.130.1-166.3-62.2-38.5000112.5D168 H260 V261D168-N172 VanDerWaalsContact O-CA 3.28Å; D168-N172 WeakPolarHBondContact O-CA 3.28Å; D168-N172 PolarHBondContact O-N 3Å; N172-H260 CarbonylContact O-C 3.53Å; N172-H260 WeakPolarHBondContact O-CA 3.29Å; N172-V261 VanDerWaalsContact CB-O 3.23Å; N172-V261 WeakPolarHBondContact CB-O 3.35Å; N172-V261 PolarHBondContact O-N 2.97Å
173Q92.5Very high83.3Confident34 Ų3452.1 Ų52.116%0.15927%0.265CS..BIsolated β-bridgetrans-68134.8170.4179.4175.8-14.500108.9L167 D168 S171 L175 E252 I259L167-Q173 CarbonylContact C-O 3.48Å; L167-Q173 VanDerWaalsContact CA-O 3.28Å; L167-Q173 WeakPolarHBondContact CA-O 3.46Å; D168-Q173 HydrophobicContact CB-CB 4.18Å; D168-Q173 PolarHBondContact N-O 3.25Å; S171-Q173 PolarHBondContact O-N 2.96Å; S171-Q173 VanDerWaalsContact O-N 3.16Å; S171-Q173 VanDerWaalsContact OG-CB 3.24Å; S171-Q173 WeakPolarHBondContact OG-CB 3.5Å; S171-Q173 PolarHBondContact OG-N 3.08Å; Q173-L175 HydrophobicContact CG-CD2 4.36Å; Q173-L175 PolarHBondContact O-N 3.31Å; Q173-E252 PolarHBondContact NE2-OE1 3.05Å; Q173-I259 WeakPolarHBondContact CA-O 3.47Å
174L92.4Very high81.8Confident0 Ų054.3 Ų54.30%028%0.276CS..EExtended strand (participates in β ladder)trans-73.7118.3172.4-175.263.1000108.6M145 L165 L167 R176 F177 I245 L249 I259 V261M145-L174 HydrophobicContact SD-CD2 3.99Å; L165-L174 HydrophobicContact CB-CD1 4.25Å; L165-L174 HydrophobicContact CD2-CD1 3.8Å; L167-L174 HydrophobicContact CD2-CB 4.32Å; L167-L174 HydrophobicContact CD2-CD1 3.73Å; L174-R176 VanDerWaalsContact CD1-O 3.28Å; L174-R176 WeakPolarHBondContact CD1-O 3.45Å; L174-F177 HydrophobicContact CD2-CB 4.19Å; L174-F177 HydrophobicContact CD2-CD2 4.5Å; L174-I245 HydrophobicContact CD2-CG2 3.74Å; L174-L249 HydrophobicContact CB-CD2 4.47Å; L174-L249 HydrophobicContact CD2-CD1 3.97Å; L174-L249 HydrophobicContact CG-CD1 4.06Å; L174-L249 HydrophobicContact CG-CD2 4.2Å; L174-L249 WeakPolarHBondContact O-CD2 3.34Å; L174-I259 HydrophobicContact CB-CB 4.17Å; L174-I259 HydrophobicContact CB-CG2 4.09Å; L174-I259 HydrophobicContact CD2-CB 4.33Å; L174-I259 HydrophobicContact CD2-CG2 3.83Å; L174-I259 PolarHBondContact N-O 3.38Å; L174-V261 HydrophobicContact CB-CG2 4.49Å
175L88Confident80.3Confident75 Ų7554.8 Ų54.839%0.39328%0.28SS..EExtended strand (participates in β ladder)trans-100.5-31178.9-58.6177.2000111.4K166 D168 Q173K166-L175 HydrophobicContact CG-CB 4.44Å; K166-L175 WeakPolarHBondContact O-CB 3.48Å; K166-L175 PolarHBondContact O-N 3.36Å; D168-L175 HydrophobicContact CB-CD1 4.14Å; D168-L175 HydrophobicContact CB-CD2 4.44Å; D168-L175 HydrophobicContact CB-CG 4.35Å; Q173-L175 HydrophobicContact CG-CD2 4.36Å; Q173-L175 PolarHBondContact O-N 3.31Å
176R85.1Confident78.3Confident94 Ų9457.6 Ų57.636%0.35530%0.299SS..EExtended strand (participates in β ladder)trans-151143.6175.7-162.7176.8173.2123.9-10.8111.3K166 L174 F196 F207K166-R176 HydrophobicContact CB-CB 3.92Å; K166-R176 PolarHBondContact N-O 3.28Å; K166-R176 PolarHBondContact O-N 2.93Å; L174-R176 VanDerWaalsContact CD1-O 3.28Å; L174-R176 WeakPolarHBondContact CD1-O 3.45Å; R176-F196 VanDerWaalsContact NH2-CZ 3.28Å; R176-F207 VanDerWaalsContact CZ-CE2 3.45Å
177F88.2Confident76.3Confident17 Ų1758.3 Ų58.38%0.07531%0.312CS..EExtended strand (participates in β ladder)trans-131.5130.2179176.4-94.5000109.2M145 Q163 L165 L174 E242 I245 R246 L249M145-F177 HydrophobicContact CE-CE2 4.47Å; Q163-F177 HydrophobicContact CB-CE2 4.46Å; Q163-F177 HydrophobicContact CG-CE2 4.05Å; Q163-F177 HydrophobicContact CG-CZ 4.17Å; L165-F177 HydrophobicContact CD2-CD2 3.55Å; L165-F177 HydrophobicContact CD2-CE2 4.18Å; L174-F177 HydrophobicContact CD2-CB 4.19Å; L174-F177 HydrophobicContact CD2-CD2 4.5Å; F177-E242 HydrophobicContact CE1-CB 4.16Å; F177-E242 HydrophobicContact CE1-CG 4.34Å; F177-E242 HydrophobicContact CZ-CB 4.3Å; F177-E242 HydrophobicContact CZ-CG 3.97Å; F177-I245 HydrophobicContact CB-CG2 3.87Å; F177-I245 HydrophobicContact CD1-CG2 3.99Å; F177-I245 HydrophobicContact CD2-CG2 3.97Å; F177-I245 HydrophobicContact CG-CG2 3.68Å; F177-R246 HydrophobicContact CD1-CG 3.93Å; F177-R246 HydrophobicContact CE1-CG 4.35Å; F177-L249 HydrophobicContact CB-CD1 3.46Å; F177-L249 VanDerWaalsContact CB-CD1 3.46Å
178Q84.5Confident74.1Confident43 Ų4358.8 Ų58.820%0.20132%0.32CS..EExtended strand (participates in β ladder)trans-142.3128.8170.6177.8175.53.300108.9Q163 L164Q163-Q178 CarbonylContact C-O 3.57Å; Q163-Q178 WeakPolarHBondContact CA-O 3.4Å; L164-Q178 HydrophobicContact CB-CB 4.36Å; L164-Q178 PolarHBondContact N-O 3.48Å; L164-Q178 PolarHBondContact O-N 3.02Å
179Q81.1Confident72Confident68 Ų6858 Ų5832%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-84.4130166.5-171.8174.98.400108.3L160 E242L160-Q179 PolarHBondContact O-NE2 2.97Å; Q179-E242 PolarHBondContact OE1-OE2 3.46Å
180L74.3Confident69.8Low15 Ų1557.7 Ų57.78%0.07932%0.318CS..PPolyproline II helixtrans-81.7136.1-179.3-66171.6000109.6D162 L164 E184 S185D162-L180 HydrophobicContact CB-CB 4.31Å; D162-L180 HydrophobicContact CB-CD1 4.31Å; D162-L180 PolarHBondContact O-N 2.92Å; L164-L180 HydrophobicContact CB-CD2 4.45Å; L164-L180 HydrophobicContact CB-CG 4.47Å; L180-E184 WeakPolarHBondContact CA-OE2 3.11Å; L180-E184 HydrophobicContact CB-CB 4.23Å; L180-E184 HydrophobicContact CD2-CB 4.07Å; L180-S185 WeakPolarHBondContact CB-OG 3.31Å
181G65.5Low67.4Low36 Ų3656 Ų5637%0.37131%0.313SS..PPolyproline II helixtrans-62.9163.5165.900000111E183 E184 S185G181-E183 VanDerWaalsContact C-N 3.32Å; G181-E183 PolarHBondContact O-N 3.35Å; G181-E184 PolarHBondContact N-OE2 3.41Å; G181-E184 PolarHBondContact O-N 2.9Å; G181-S185 WeakPolarHBondContact O-CB 3.33Å; G181-S185 PolarHBondContact O-N 3.02Å; G181-S185 PolarHBondContact O-OG 2.86Å
182F56.5Low64.9Low40 Ų4054.9 Ų54.918%0.17531%0.306CS..Hα-helixtrans-57.9-45.9179.1-179.3-83.8000111.9L160 E184 S185 C186 E455L160-F182 HydrophobicContact CD2-CD2 4.47Å; F182-E184 PolarHBondContact O-N 3.31Å; F182-S185 WeakPolarHBondContact O-CB 3.43Å; F182-S185 PolarHBondContact O-N 3.41Å; F182-C186 HydrophobicContact CE1-CB 4.49Å; F182-C186 WeakPolarHBondContact CE1-SG 3.21Å; F182-C186 WeakPolarHBondContact CZ-SG 3.34Å; F182-C186 PolarHBondContact O-N 3.11Å; F182-C186 VanDerWaalsContact O-N 3.07Å; F182-C186 PolarHBondContact O-SG 3.44Å; F182-E455 HydrophobicContact CD1-CB 4.36Å; F182-E455 WeakPolarHBondContact CD1-OE2 3.28Å; F182-E455 HydrophobicContact CD2-CB 4.14Å; F182-E455 HydrophobicContact CE1-CB 3.83Å; F182-E455 HydrophobicContact CE1-CG 4.01Å; F182-E455 WeakPolarHBondContact CE1-OE1 3.24Å; F182-E455 WeakPolarHBondContact CE1-OE2 3.47Å; F182-E455 HydrophobicContact CE2-CB 3.54Å; F182-E455 WeakPolarHBondContact CE2-O 3.5Å; F182-E455 HydrophobicContact CZ-CB 3.37Å; F182-E455 HydrophobicContact CZ-CG 3.99Å
183E53.3Low62.4Low159 Ų15956.9 Ų56.974%0.74332%0.324SS*.Hα-helixtrans-61-44.8178.5-64.5-175.5170.200111.3G181 S185 C186 A187G181-E183 VanDerWaalsContact C-N 3.32Å; G181-E183 PolarHBondContact O-N 3.35Å; E183-S185 VanDerWaalsContact C-N 3.3Å; E183-S185 PolarHBondContact O-N 3.31Å; E183-C186 PolarHBondContact O-N 3.49Å; E183-A187 WeakPolarHBondContact O-CB 3.33Å; E183-A187 PolarHBondContact O-N 3.05Å
184E55.2Low59.9Low50 Ų5057.9 Ų57.923%0.23433%0.33CS..Hα-helixtrans-64.6-34.5177.9-57-177.7142.800112.5L180 G181 F182 A192L180-E184 WeakPolarHBondContact CA-OE2 3.11Å; L180-E184 HydrophobicContact CB-CB 4.23Å; L180-E184 HydrophobicContact CD2-CB 4.07Å; G181-E184 PolarHBondContact N-OE2 3.41Å; G181-E184 PolarHBondContact O-N 2.9Å; F182-E184 PolarHBondContact O-N 3.31Å; E184-A192 HydrophobicContact CB-CB 4.09Å; E184-A192 HydrophobicContact CG-CB 3.81Å
185S52.8Low57.2Low18 Ų1862.6 Ų62.613%0.12636%0.363CS..Hα-helixtrans-69.2-35177.2-56.10000111.7R159 L180 G181 F182 E183R159-S185 PolarHBondContact O-OG 2.99Å; L180-S185 WeakPolarHBondContact CB-OG 3.31Å; G181-S185 WeakPolarHBondContact O-CB 3.33Å; G181-S185 PolarHBondContact O-N 3.02Å; G181-S185 PolarHBondContact O-OG 2.86Å; F182-S185 WeakPolarHBondContact O-CB 3.43Å; F182-S185 PolarHBondContact O-N 3.41Å; E183-S185 VanDerWaalsContact C-N 3.3Å; E183-S185 PolarHBondContact O-N 3.31Å
186C48.2Very low54.6Low60 Ų6063.2 Ų63.241%0.40536%0.362SS..Hα-helixtrans-85-36.7-178.2-65.70000113.6R159 F182 E183 G188R159-C186 PolarHBondContact NH1-SG 3.18Å; F182-C186 HydrophobicContact CE1-CB 4.49Å; F182-C186 WeakPolarHBondContact CE1-SG 3.21Å; F182-C186 WeakPolarHBondContact CZ-SG 3.34Å; F182-C186 PolarHBondContact O-N 3.11Å; F182-C186 VanDerWaalsContact O-N 3.07Å; F182-C186 PolarHBondContact O-SG 3.44Å; E183-C186 PolarHBondContact O-N 3.49Å; C186-G188 VanDerWaalsContact C-N 3.26Å; C186-G188 PolarHBondContact O-N 3.37Å
187A47.4Very low52Low54 Ų5465 Ų6545%0.44638%0.379SS..Hα-helixtrans-74-14.9-175.500000113.7E183E183-A187 WeakPolarHBondContact O-CB 3.33Å; E183-A187 PolarHBondContact O-N 3.05Å
188G44.7Very low49.2Very low24 Ų2469.8 Ų69.825%0.24741%0.41CS..  trans68.6150.9-163.500000110.4C186 S190 Q191C186-G188 VanDerWaalsContact C-N 3.26Å; C186-G188 PolarHBondContact O-N 3.37Å; G188-S190 PolarHBondContact O-N 2.86Å; G188-Q191 PolarHBondContact O-N 2.94Å
189V45.2Very low46.6Very low29 Ų2977.1 Ų77.118%0.17644%0.437CS..THydrogen-bonded Turntrans-60.6-1.2-168.4-172.50000113.9Q191V189-Q191 VanDerWaalsContact C-N 3.33Å; V189-Q191 PolarHBondContact O-N 3.43Å
190S41.8Very low44.3Very low111 Ų11179.2 Ų79.278%0.77645%0.45SS*.THydrogen-bonded Turntrans-72.7-15.4177.745.80000115.4G188G188-S190 PolarHBondContact O-N 2.86Å
191Q37.6Very low42.1Very low162 Ų16283.8 Ų83.876%0.75748%0.483SS*.SBendtrans-133.82.1-178-85.2-167.7-11.300115.9G188 V189 S193G188-Q191 PolarHBondContact O-N 2.94Å; V189-Q191 VanDerWaalsContact C-N 3.33Å; V189-Q191 PolarHBondContact O-N 3.43Å; Q191-S193 PolarHBondContact O-N 2.84Å
192A37.1Very low40.6Very low16 Ų1688.6 Ų88.613%0.13250%0.496CS..  trans-62.398.5159.100000105.4E184 L194E184-A192 HydrophobicContact CB-CB 4.09Å; E184-A192 HydrophobicContact CG-CB 3.81Å; A192-L194 PolarHBondContact O-N 3.34Å
193S38.9Very low39.5Very low90 Ų9091.3 Ų91.363%0.62952%0.518SS*.  trans-56.696.6162.160.80000103.4Q191 S195Q191-S193 PolarHBondContact O-N 2.84Å; S193-S195 PolarHBondContact O-N 2.68Å; S193-S195 PolarHBondContact O-OG 3.42Å
194L40.4Very low38.5Very low55 Ų5590 Ų9029%0.28852%0.523SS..  trans-61.290.1161.4-74.7133.3000102.7A192 F196 F207A192-L194 PolarHBondContact O-N 3.34Å; L194-F196 HydrophobicContact CB-CD2 3.42Å; L194-F196 VanDerWaalsContact CB-CD2 3.42Å; L194-F196 HydrophobicContact CB-CE2 3.74Å; L194-F196 HydrophobicContact CD1-CE2 4.25Å; L194-F196 HydrophobicContact CD2-CD2 4.19Å; L194-F196 HydrophobicContact CD2-CE2 3.66Å; L194-F196 HydrophobicContact CD2-CZ 4.47Å; L194-F196 HydrophobicContact CG-CD2 4.28Å; L194-F196 HydrophobicContact CG-CE2 4.09Å; L194-F196 PolarHBondContact O-N 3.39Å; L194-F207 HydrophobicContact CD1-CD1 3.57Å; L194-F207 HydrophobicContact CD1-CE1 4.12Å; L194-F207 HydrophobicContact CD1-CG 4.47Å; L194-F207 HydrophobicContact CD2-CD1 3.74Å; L194-F207 HydrophobicContact CD2-CE1 3.61Å; L194-F207 HydrophobicContact CD2-CZ 4.36Å; L194-F207 HydrophobicContact CG-CD1 4.31Å
195S34.8Very low37.7Very low99 Ų9992.3 Ų92.369%0.69254%0.536SS*.  trans-62.376.8163.4-47.20000104.3S193 N197S193-S195 PolarHBondContact O-N 2.68Å; S193-S195 PolarHBondContact O-OG 3.42Å; S195-N197 PolarHBondContact O-N 3.29Å
196F34.9Very low36.8Very low88 Ų8895.5 Ų95.539%0.38656%0.564SS.*  trans-71.580.9176-108.6-79.8000104.8R176 L194 T198 F207R176-F196 VanDerWaalsContact NH2-CZ 3.28Å; L194-F196 HydrophobicContact CB-CD2 3.42Å; L194-F196 VanDerWaalsContact CB-CD2 3.42Å; L194-F196 HydrophobicContact CB-CE2 3.74Å; L194-F196 HydrophobicContact CD1-CE2 4.25Å; L194-F196 HydrophobicContact CD2-CD2 4.19Å; L194-F196 HydrophobicContact CD2-CE2 3.66Å; L194-F196 HydrophobicContact CD2-CZ 4.47Å; L194-F196 HydrophobicContact CG-CD2 4.28Å; L194-F196 HydrophobicContact CG-CE2 4.09Å; L194-F196 PolarHBondContact O-N 3.39Å; F196-T198 PolarHBondContact O-N 3.41Å; F196-T198 PolarHBondContact O-OG1 3.33Å; F196-F207 HydrophobicContact CE1-CD2 4.5Å; F196-F207 HydrophobicContact CE2-CB 3.41Å; F196-F207 VanDerWaalsContact CE2-CB 3.41Å; F196-F207 AromaticContact CE2-CD1 3.95Å; F196-F207 HydrophobicContact CE2-CD1 3.95Å; F196-F207 AromaticContact CE2-CD2 3.89Å; F196-F207 HydrophobicContact CE2-CD2 3.89Å; F196-F207 AromaticContact CE2-CG 3.5Å; F196-F207 HydrophobicContact CE2-CG 3.5Å; F196-F207 VanDerWaalsContact CE2-CG 3.5Å; F196-F207 HydrophobicContact CZ-CB 3.64Å; F196-F207 HydrophobicContact CZ-CD1 4.25Å; F196-F207 AromaticContact CZ-CD2 3.37Å; F196-F207 HydrophobicContact CZ-CD2 3.37Å; F196-F207 AromaticContact CZ-CE2 3.97Å; F196-F207 HydrophobicContact CZ-CE2 3.97Å; F196-F207 AromaticContact CZ-CG 3.51Å; F196-F207 HydrophobicContact CZ-CG 3.51Å
197N29.7Very low36.6Very low132 Ų13294.9 Ų94.971%0.70655%0.554SS**  trans-71.777.2155.1-81.1-11.2000106.9S195 Y199S195-N197 PolarHBondContact O-N 3.29Å; N197-Y199 HydrophobicContact CB-CD2 4.06Å; N197-Y199 HydrophobicContact CB-CE2 4.04Å; N197-Y199 PolarHBondContact O-N 2.86Å
198T28.2Very low36.4Very low116 Ų11699 Ų9971%0.71256%0.564SS**  11.769.2122.6-46.90000114.6F196F196-T198 PolarHBondContact O-N 3.41Å; F196-T198 PolarHBondContact O-OG1 3.33Å
199Y31.6Very low36.7Very low197 Ų197101.1 Ų101.177%0.77358%0.575SS**  trans-140.416.7162.8-68-69.8000114N197N197-Y199 HydrophobicContact CB-CD2 4.06Å; N197-Y199 HydrophobicContact CB-CE2 4.04Å; N197-Y199 PolarHBondContact O-N 2.86Å
200L31.8Very low37Very low113 Ų113103.7 Ų103.759%0.59260%0.6SS**  trans-130.383.5164.6-76.7169.7000110.1H202L200-H202 PolarHBondContact O-N 3.07Å; L200-H202 VanDerWaalsContact O-N 3.09Å
201S28.8Very low38.1Very low111 Ų111103.2 Ų103.278%0.77659%0.589SS**THydrogen-bonded Turntrans-71.120.3173.945.10000114.4
202H34.2Very low39.8Very low137 Ų13796.3 Ų96.363%0.63456%0.558SS**THydrogen-bonded Turntrans-119.76.8178.5-70.3-44.5000115.8L200L200-H202 PolarHBondContact O-N 3.07Å; L200-H202 VanDerWaalsContact O-N 3.09Å
203C32.6Very low41.8Very low96 Ų9698 Ų9865%0.64956%0.563SS**  trans-120.1103.6165.5-133.20000110.9I205C203-I205 PolarHBondContact O-N 2.94Å
204P32.8Very low43.8Very low132 Ų13294.6 Ų94.686%0.85754%0.539SS*.  trans-79.531.8-174.234.4-35.8000113
205I37.3Very low45.9Very low98 Ų9895.9 Ų95.950%0.50355%0.546SS..  trans-109.999-177.9-50.7175.2000108C203 F207C203-I205 PolarHBondContact O-N 2.94Å; I205-F207 PolarHBondContact O-N 3.32Å
206A35.5Very low48.5Very low85 Ų8591.4 Ų91.470%0.70252%0.515SS*.  trans-47.3132.9164.600000109.5Q208A206-Q208 PolarHBondContact O-N 3.04Å
207F42.5Very low51.1Low48 Ų4887.9 Ų87.921%0.21150%0.499CS..  trans-67.7100.2-177.2-135.9-115.3000110.1L164 R176 L194 F196 I205L164-F207 HydrophobicContact CD2-CE1 4Å; L164-F207 HydrophobicContact CD2-CZ 4.35Å; R176-F207 VanDerWaalsContact CZ-CE2 3.45Å; L194-F207 HydrophobicContact CD1-CD1 3.57Å; L194-F207 HydrophobicContact CD1-CE1 4.12Å; L194-F207 HydrophobicContact CD1-CG 4.47Å; L194-F207 HydrophobicContact CD2-CD1 3.74Å; L194-F207 HydrophobicContact CD2-CE1 3.61Å; L194-F207 HydrophobicContact CD2-CZ 4.36Å; L194-F207 HydrophobicContact CG-CD1 4.31Å; F196-F207 HydrophobicContact CE1-CD2 4.5Å; F196-F207 HydrophobicContact CE2-CB 3.41Å; F196-F207 VanDerWaalsContact CE2-CB 3.41Å; F196-F207 AromaticContact CE2-CD1 3.95Å; F196-F207 HydrophobicContact CE2-CD1 3.95Å; F196-F207 AromaticContact CE2-CD2 3.89Å; F196-F207 HydrophobicContact CE2-CD2 3.89Å; F196-F207 AromaticContact CE2-CG 3.5Å; F196-F207 HydrophobicContact CE2-CG 3.5Å; F196-F207 VanDerWaalsContact CE2-CG 3.5Å; F196-F207 HydrophobicContact CZ-CB 3.64Å; F196-F207 HydrophobicContact CZ-CD1 4.25Å; F196-F207 AromaticContact CZ-CD2 3.37Å; F196-F207 HydrophobicContact CZ-CD2 3.37Å; F196-F207 AromaticContact CZ-CE2 3.97Å; F196-F207 HydrophobicContact CZ-CE2 3.97Å; F196-F207 AromaticContact CZ-CG 3.51Å; F196-F207 HydrophobicContact CZ-CG 3.51Å; I205-F207 PolarHBondContact O-N 3.32Å
208Q43.8Very low53.9Low140 Ų14082 Ų8265%0.65447%0.468SS*.  trans-95.4118.6161-74.7-175.9-0.300107.5A206 A210 D211A206-Q208 PolarHBondContact O-N 3.04Å; Q208-A210 PolarHBondContact O-N 2.96Å; Q208-D211 PolarHBondContact O-N 2.98Å
209S51.2Low56.9Low68 Ų6876.5 Ų76.548%0.47643%0.434SS..G310 helixtrans-55.9-15.6178.652.40000113.9D211S209-D211 VanDerWaalsContact C-N 3.34Å; S209-D211 PolarHBondContact O-N 3.5Å
210A51.6Low59.7Low84 Ų8467.9 Ų67.969%0.69440%0.403SS*.G310 helixtrans-68.3-24.5-179.500000114.7Q208Q208-A210 PolarHBondContact O-N 2.96Å
211D64.8Low62.6Low101 Ų10162.5 Ų62.554%0.5437%0.374SS..G310 helixtrans-93.21.7-177.7-70.6-18.4000113.6Q208 S209Q208-D211 PolarHBondContact O-N 2.98Å; S209-D211 VanDerWaalsContact C-N 3.34Å; S209-D211 PolarHBondContact O-N 3.5Å
212C74.4Confident65.8Low16 Ų1657.8 Ų57.811%0.10834%0.34CS..SBendtrans-99.3134.8-177.3-63.40000110.9L164 L165 C214L164-C212 HydrophobicContact CD1-CB 3.42Å; L164-C212 VanDerWaalsContact CD1-CB 3.42Å; L164-C212 HydrophobicContact CD2-CB 4.3Å; L164-C212 HydrophobicContact CG-CB 3.82Å; L165-C212 CarbonylContact O-C 3.55Å; L165-C212 WeakPolarHBondContact O-CA 3Å; C212-C214 PolarHBondContact O-N 3.39Å
213E79Confident68.7Low52 Ų5251.3 Ų51.324%0.24331%0.31CS..BIsolated β-bridgetrans-84105.8174.6-65.2-169.6-154.300108.8L165 L216 K263L165-E213 PolarHBondContact N-O 2.83Å; L165-E213 PolarHBondContact O-N 3.27Å; E213-L216 HydrophobicContact CB-CD1 4Å; E213-L216 HydrophobicContact CB-CG 4.21Å; E213-L216 WeakPolarHBondContact OE2-CD1 3.47Å; E213-K263 IonicContact OE1-NZ 2.65Å; E213-K263 PolarHBondContact OE1-NZ 3.42Å; E213-K263 VanDerWaalsContact OE2-CE 3.25Å; E213-K263 WeakPolarHBondContact OE2-CE 3.34Å; E213-K263 IonicContact OE2-NZ 3.04Å; E213-K263 PolarHBondContact OE2-NZ 3.42Å
214C80.2Confident71.7Confident18 Ų1846.8 Ų46.812%0.12228%0.279CS..  trans-93.4-11.6172.1-61.30000112.7R157 L164 C212 L216R157-C214 PolarHBondContact NH1-O 3.42Å; R157-C214 PolarHBondContact NH2-O 2.85Å; L164-C214 WeakPolarHBondContact CD1-SG 3.35Å; C212-C214 PolarHBondContact O-N 3.39Å; C214-L216 VanDerWaalsContact C-N 3.32Å
215D85.2Confident74.6Confident82 Ų8240.5 Ų40.544%0.43924%0.238SC..SBendtrans-9520.1-172.360.2-36.5000112.8P149 A150P149-D215 CarbonylContact C-O 3.58Å; P149-D215 WeakPolarHBondContact CA-O 3.48Å; A150-D215 CarbonylContact C-O 3.6Å; A150-D215 PolarHBondContact N-O 2.9Å; A150-D215 CarbonylContact O-C 3.57Å; A150-D215 VanDerWaalsContact O-C 3.27Å; A150-D215 WeakPolarHBondContact O-CA 3.24Å
216L88.5Confident77.3Confident6 Ų637.4 Ų37.43%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-104.4131.2173.2-66.8179.7000110.4Y147 P149 L165 L167 E213 C214 K263Y147-L216 HydrophobicContact CD1-CB 3.68Å; Y147-L216 HydrophobicContact CE1-CB 4.5Å; Y147-L216 HydrophobicContact CG-CB 4.2Å; P149-L216 HydrophobicContact CG-CD2 4.3Å; L165-L216 HydrophobicContact CD1-CB 4.26Å; L165-L216 HydrophobicContact CD1-CD1 3.82Å; L167-L216 HydrophobicContact CD1-CD1 4.07Å; E213-L216 HydrophobicContact CB-CD1 4Å; E213-L216 HydrophobicContact CB-CG 4.21Å; E213-L216 WeakPolarHBondContact OE2-CD1 3.47Å; C214-L216 VanDerWaalsContact C-N 3.32Å; L216-K263 HydrophobicContact CD2-CD 4.2Å; L216-K263 HydrophobicContact CD2-CG 4.24Å
217M88.8Confident80Confident14 Ų1437.1 Ų37.17%0.06921%0.209CC..EExtended strand (participates in β ladder)trans-102.9125.4173.9-179-179.775.900110.3Y147 V148 A150 C156 R157 C219 V269Y147-M217 WeakPolarHBondContact CA-O 3.42Å; Y147-M217 WeakPolarHBondContact CD1-O 3.28Å; V148-M217 PolarHBondContact N-O 3.09Å; V148-M217 PolarHBondContact O-N 2.98Å; A150-M217 HydrophobicContact CB-CB 3.82Å; A150-M217 HydrophobicContact CB-SD 4.5Å; C156-M217 HydrophobicContact CB-CE 4.48Å; C156-M217 HydrophobicContact CB-SD 4.04Å; R157-M217 HydrophobicContact CB-SD 4.41Å; M217-C219 PolarHBondContact O-N 2.97Å; M217-V269 WeakPolarHBondContact CE-O 3.44Å
218D90.1Very high82.5Confident8 Ų834.8 Ų34.84%0.04320%0.199CC..EExtended strand (participates in β ladder)trans-68.4129.2177.4174.627.1000110.8Y147 S220 R273Y147-D218 HydrophobicContact CD1-CB 4.17Å; Y147-D218 VanDerWaalsContact CE1-CA 3.46Å; Y147-D218 HydrophobicContact CE1-CB 3.52Å; D218-S220 PolarHBondContact OD1-N 3.29Å; D218-R273 PolarHBondContact O-NH2 3.23Å; D218-R273 IonicContact OD1-NH2 3.75Å; D218-R273 IonicContact OD2-CZ 3.51Å; D218-R273 IonicContact OD2-NH1 3.66Å; D218-R273 PolarHBondContact OD2-NH1 3.38Å; D218-R273 IonicContact OD2-NH2 3.41Å; D218-R273 PolarHBondContact OD2-NH2 3.48Å
219C89.7Confident84.9Confident0 Ų028.2 Ų28.20%017%0.168CC..EExtended strand (participates in β ladder)trans-91.9-10.7179-640000113.4V118 V146 V148 M217 L221 V269 T271V118-C219 VanDerWaalsContact CG2-O 3.23Å; V118-C219 WeakPolarHBondContact CG2-O 3.41Å; V146-C219 HydrophobicContact CB-CB 4.48Å; V146-C219 WeakPolarHBondContact O-CB 3.42Å; V146-C219 PolarHBondContact O-N 2.81Å; V148-C219 VanDerWaalsContact CG2-SG 3.57Å; M217-C219 PolarHBondContact O-N 2.97Å; C219-L221 HydrophobicContact CB-CB 4.34Å; C219-L221 HydrophobicContact CB-CD1 4.14Å; C219-L221 HydrophobicContact CB-CG 4.44Å; C219-L221 PolarHBondContact O-N 3.25Å; C219-V269 HydrophobicContact CB-CG1 3.73Å; C219-V269 VanDerWaalsContact SG-CG1 3.59Å; C219-T271 PolarHBondContact O-OG1 3.49Å
220S90.5Very high86.9Confident16 Ų1627.4 Ų27.411%0.11216%0.16CC..EExtended strand (participates in β ladder)trans56.134.4-170.1-540000113.5F114 D218 R273F114-S220 WeakPolarHBondContact CB-O 3.47Å; D218-S220 PolarHBondContact OD1-N 3.29Å; S220-R273 VanDerWaalsContact OG-CZ 3.26Å; S220-R273 PolarHBondContact OG-NH2 3.03Å
221L93.4Very high88.9Confident0 Ų024.2 Ų24.20%013%0.131CC..EExtended strand (participates in β ladder)trans-112.6122.8174.4-80.3164.6000108.7F46 L112 F114 V118 M124 V146 C219 V269F46-L221 HydrophobicContact CE1-CD2 4.02Å; F46-L221 HydrophobicContact CZ-CD1 4.45Å; F46-L221 HydrophobicContact CZ-CD2 4.09Å; L112-L221 HydrophobicContact CD1-CD2 4.24Å; F114-L221 HydrophobicContact CB-CD2 3.72Å; F114-L221 HydrophobicContact CB-CG 4.49Å; F114-L221 HydrophobicContact CD1-CD2 4.32Å; F114-L221 HydrophobicContact CD2-CD2 4.25Å; F114-L221 HydrophobicContact CG-CD2 3.86Å; V118-L221 HydrophobicContact CG1-CD1 3.81Å; V118-L221 HydrophobicContact CG1-CD2 4.27Å; V118-L221 HydrophobicContact CG1-CG 3.88Å; V118-L221 HydrophobicContact CG2-CG 4.48Å; M124-L221 HydrophobicContact SD-CD1 4.38Å; V146-L221 HydrophobicContact CB-CB 3.91Å; V146-L221 HydrophobicContact CG2-CB 3.94Å; V146-L221 PolarHBondContact N-O 2.95Å; C219-L221 HydrophobicContact CB-CB 4.34Å; C219-L221 HydrophobicContact CB-CD1 4.14Å; C219-L221 HydrophobicContact CB-CG 4.44Å; C219-L221 PolarHBondContact O-N 3.25Å; L221-V269 HydrophobicContact CD1-CG1 4.45Å
222Y95.2Very high90.3Very high13 Ų1319.4 Ų19.45%0.05111%0.106CC..EExtended strand (participates in β ladder)trans-129.2124.7-174.5-54.1-77.5000110.8L112 F113 M143 M145 M241L112-Y222 CarbonylContact C-O 3.53Å; L112-Y222 WeakPolarHBondContact CA-O 3.45Å; F113-Y222 AromaticContact CD1-CD2 3.87Å; F113-Y222 HydrophobicContact CD1-CD2 3.87Å; F113-Y222 HydrophobicContact CE1-CD2 4.45Å; F113-Y222 PolarHBondContact N-O 3.14Å; F113-Y222 PolarHBondContact O-N 3.13Å; M143-Y222 HydrophobicContact CE-CD1 3.39Å; M143-Y222 HydrophobicContact CE-CE1 4.06Å; M143-Y222 HydrophobicContact CE-CG 4Å; M145-Y222 HydrophobicContact CB-CD1 4.31Å; M145-Y222 HydrophobicContact CB-CE1 4.38Å; M145-Y222 HydrophobicContact CE-CE1 3.98Å; M145-Y222 HydrophobicContact CG-CD1 3.87Å; M145-Y222 HydrophobicContact CG-CE1 3.91Å; Y222-M241 HydrophobicContact CD1-CE 4.3Å; Y222-M241 HydrophobicContact CD2-CE 4.34Å; Y222-M241 HydrophobicContact CD2-CG 4.42Å; Y222-M241 HydrophobicContact CE2-CB 4.41Å; Y222-M241 HydrophobicContact CE2-CG 3.99Å; Y222-M241 HydrophobicContact CG-CE 4.13Å
223V95.3Very high91.2Very high1 Ų120.8 Ų20.81%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-93.5110.6165-177.30000107.3L112 M124 V127 F128 H131 M143 T144L112-V223 HydrophobicContact CD1-CG2 4.24Å; M124-V223 HydrophobicContact CE-CG2 4.46Å; V127-V223 HydrophobicContact CG1-CG2 4.08Å; F128-V223 HydrophobicContact CD2-CG1 3.72Å; F128-V223 HydrophobicContact CE2-CG1 4.2Å; H131-V223 HydrophobicContact CB-CB 4.45Å; H131-V223 HydrophobicContact CB-CG1 3.9Å; M143-V223 CarbonylContact C-O 3.52Å; M143-V223 VanDerWaalsContact CA-O 3.24Å; M143-V223 WeakPolarHBondContact CA-O 3.5Å; T144-V223 PolarHBondContact N-O 2.99Å; T144-V223 PolarHBondContact O-N 3.36Å
224C95.5Very high91.8Very high0 Ų024.3 Ų24.30%014%0.136CC..EExtended strand (participates in β ladder)trans-110.4145.2-170.6-66.20000111.4D110 F111 V228D110-C224 CarbonylContact C-O 3.58Å; D110-C224 VanDerWaalsContact CA-O 3.32Å; D110-C224 WeakPolarHBondContact CA-O 3.48Å; F111-C224 HydrophobicContact CD1-CB 4.12Å; F111-C224 WeakPolarHBondContact CD1-O 3.32Å; F111-C224 HydrophobicContact CD2-CB 4.36Å; F111-C224 HydrophobicContact CE1-CB 3.6Å; F111-C224 HydrophobicContact CE2-CB 3.88Å; F111-C224 HydrophobicContact CG-CB 4.49Å; F111-C224 HydrophobicContact CZ-CB 3.47Å; F111-C224 VanDerWaalsContact CZ-CB 3.47Å; F111-C224 PolarHBondContact N-O 3.41Å; F111-C224 PolarHBondContact O-N 3.36Å; C224-V228 HydrophobicContact CB-CB 4.21Å; C224-V228 HydrophobicContact CB-CG2 3.86Å
225S94.1Very high92.3Very high0 Ų025.9 Ų25.90%014%0.143CC..  trans-76.4156.9165.275.30000111D110 F111 L142 Q227 V228D110-S225 WeakPolarHBondContact OD1-CA 3.44Å; F111-S225 WeakPolarHBondContact CE1-O 3.2Å; L142-S225 WeakPolarHBondContact O-CB 3.26Å; L142-S225 PolarHBondContact O-N 3.3Å; L142-S225 PolarHBondContact O-OG 3.04Å; S225-Q227 PolarHBondContact O-N 3.37Å; S225-Q227 PolarHBondContact OG-N 3.48Å; S225-V228 PolarHBondContact O-N 3.05Å
226P93.2Very high92.4Very high34 Ų3429.2 Ų29.222%0.22115%0.154CC..THydrogen-bonded Turntrans-64.9-2.4175.528.2-36.6000114I107 D110 P229I107-P226 HydrophobicContact CG2-CB 4.3Å; D110-P226 WeakPolarHBondContact OD1-CD 3.36Å; P226-P229 WeakPolarHBondContact O-CD 3.35Å
227Q92.5Very high92.4Very high78 Ų7834.2 Ų34.236%0.36418%0.181SC..Hα-helixtrans-82.8-16.3172.5-66.8174-30.800112.6L142 S225 T230 L231L142-Q227 HydrophobicContact CD1-CB 3.92Å; S225-Q227 PolarHBondContact O-N 3.37Å; S225-Q227 PolarHBondContact OG-N 3.48Å; Q227-T230 WeakPolarHBondContact CA-OG1 3.24Å; Q227-T230 PolarHBondContact O-N 3.49Å; Q227-T230 PolarHBondContact O-OG1 3.49Å; Q227-L231 WeakPolarHBondContact O-CG 3.48Å; Q227-L231 PolarHBondContact O-N 3.08Å
228V95Very high92.6Very high0 Ų033.8 Ų33.80%018%0.179CC..Hα-helixtrans-60.2-49179.7170.60000111.6F98 L142 C224 S225 T230 L231 F232 L244F98-V228 HydrophobicContact CE1-CG1 4.36Å; F98-V228 HydrophobicContact CZ-CG1 4.36Å; L142-V228 HydrophobicContact CD1-CG2 3.93Å; L142-V228 HydrophobicContact CD2-CG2 4.47Å; L142-V228 HydrophobicContact CG-CG2 3.89Å; C224-V228 HydrophobicContact CB-CB 4.21Å; C224-V228 HydrophobicContact CB-CG2 3.86Å; S225-V228 PolarHBondContact O-N 3.05Å; V228-T230 VanDerWaalsContact C-N 3.32Å; V228-T230 PolarHBondContact O-N 3.1Å; V228-L231 PolarHBondContact O-N 3.11Å; V228-F232 HydrophobicContact CG1-CD2 4.13Å; V228-F232 HydrophobicContact CG1-CE2 3.96Å; V228-F232 WeakPolarHBondContact O-CD2 3.15Å; V228-F232 PolarHBondContact O-N 2.78Å; V228-L244 HydrophobicContact CG1-CD2 3.81Å; V228-L244 HydrophobicContact CG2-CD2 4.45Å
229P94.9Very high92.6Very high2 Ų237.9 Ų37.91%0.01320%0.2CC..Hα-helixtrans-58.2-41176.3-22.933.2000113.5F98 D102 I107 F111 P226 L231 F232 S233F98-P229 HydrophobicContact CD1-CB 4.27Å; F98-P229 HydrophobicContact CD1-CG 3.97Å; F98-P229 HydrophobicContact CE1-CG 4.49Å; D102-P229 HydrophobicContact CB-CB 3.75Å; I107-P229 HydrophobicContact CD1-CG 4.02Å; F111-P229 HydrophobicContact CE1-CG 4.31Å; F111-P229 HydrophobicContact CZ-CG 4.15Å; P226-P229 WeakPolarHBondContact O-CD 3.35Å; P229-L231 VanDerWaalsContact C-N 3.33Å; P229-L231 PolarHBondContact O-N 2.95Å; P229-F232 PolarHBondContact O-N 2.6Å; P229-S233 PolarHBondContact O-N 2.97Å; P229-S233 VanDerWaalsContact O-N 3.1Å; P229-S233 PolarHBondContact O-OG 3.44Å
230T93Very high92.6Very high50 Ų5040.2 Ų40.231%0.30721%0.214SC..Hα-helixtrans-64.8-37.1179.457.50000112D102 Q227 V228 F232 S233 D234D102-T230 VanDerWaalsContact OD1-CG2 3.31Å; D102-T230 WeakPolarHBondContact OD1-CG2 3.18Å; Q227-T230 WeakPolarHBondContact CA-OG1 3.24Å; Q227-T230 PolarHBondContact O-N 3.49Å; Q227-T230 PolarHBondContact O-OG1 3.49Å; V228-T230 VanDerWaalsContact C-N 3.32Å; V228-T230 PolarHBondContact O-N 3.1Å; T230-F232 VanDerWaalsContact C-N 3.29Å; T230-F232 PolarHBondContact O-N 3.09Å; T230-S233 WeakPolarHBondContact O-CB 3.44Å; T230-S233 PolarHBondContact O-N 3.35Å; T230-S233 VanDerWaalsContact O-N 3.08Å; T230-D234 PolarHBondContact O-N 3.36Å
231L93.2Very high92.7Very high17 Ų1739.8 Ų39.89%0.08921%0.211CC..Hα-helixtrans-63.9-34.2176.2-70.9173.1000112.6L142 Q227 V228 P229 N235 L244L142-L231 HydrophobicContact CD1-CD1 3.54Å; L142-L231 HydrophobicContact CD2-CD1 3.62Å; L142-L231 HydrophobicContact CG-CD1 4.23Å; Q227-L231 WeakPolarHBondContact O-CG 3.48Å; Q227-L231 PolarHBondContact O-N 3.08Å; V228-L231 PolarHBondContact O-N 3.11Å; P229-L231 VanDerWaalsContact C-N 3.33Å; P229-L231 PolarHBondContact O-N 2.95Å; L231-N235 WeakPolarHBondContact O-CB 3.42Å; L231-N235 PolarHBondContact O-N 3.09Å; L231-N235 VanDerWaalsContact O-N 3.12Å; L231-N235 PolarHBondContact O-ND2 2.6Å; L231-L244 HydrophobicContact CB-CD1 3.94Å; L231-L244 HydrophobicContact CD1-CD1 3.96Å
232F94Very high92.5Very high0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-72-29.2172.4-82.7-80.1000113F98 R99 V228 P229 T230 F238 M241 L244F98-F232 HydrophobicContact CB-CB 3.8Å; F98-F232 HydrophobicContact CB-CD2 3.64Å; F98-F232 HydrophobicContact CB-CE2 4.35Å; F98-F232 HydrophobicContact CB-CG 3.79Å; F98-F232 AromaticContact CD2-CD2 3.62Å; F98-F232 HydrophobicContact CD2-CD2 3.62Å; F98-F232 AromaticContact CD2-CE2 3.42Å; F98-F232 HydrophobicContact CD2-CE2 3.42Å; F98-F232 VanDerWaalsContact CD2-CE2 3.42Å; F98-F232 HydrophobicContact CD2-CG 4.31Å; F98-F232 AromaticContact CD2-CZ 3.97Å; F98-F232 HydrophobicContact CD2-CZ 3.97Å; F98-F232 HydrophobicContact CE2-CD2 4.49Å; F98-F232 AromaticContact CE2-CE2 3.94Å; F98-F232 HydrophobicContact CE2-CE2 3.94Å; F98-F232 HydrophobicContact CE2-CZ 4.47Å; F98-F232 AromaticContact CG-CD2 3.75Å; F98-F232 HydrophobicContact CG-CD2 3.75Å; F98-F232 HydrophobicContact CG-CE2 4.03Å; F98-F232 HydrophobicContact CG-CG 4.36Å; R99-F232 HydrophobicContact CG-CB 4.27Å; R99-F232 WeakPolarHBondContact CG-O 3.49Å; R99-F232 PolarHBondContact NE-O 3.04Å; V228-F232 HydrophobicContact CG1-CD2 4.13Å; V228-F232 HydrophobicContact CG1-CE2 3.96Å; V228-F232 WeakPolarHBondContact O-CD2 3.15Å; V228-F232 PolarHBondContact O-N 2.78Å; P229-F232 PolarHBondContact O-N 2.6Å; T230-F232 VanDerWaalsContact C-N 3.29Å; T230-F232 PolarHBondContact O-N 3.09Å; F232-F238 HydrophobicContact CD1-CB 3.53Å; F232-F238 HydrophobicContact CD1-CD2 4.21Å; F232-F238 HydrophobicContact CD1-CG 4.42Å; F232-F238 HydrophobicContact CE1-CB 3.54Å; F232-F238 HydrophobicContact CE1-CD2 4.41Å; F232-F238 HydrophobicContact CE1-CG 4.48Å; F232-M241 HydrophobicContact CE2-SD 4.16Å; F232-M241 HydrophobicContact CZ-SD 4.12Å; F232-L244 HydrophobicContact CE2-CB 4.27Å; F232-L244 HydrophobicContact CE2-CD2 3.79Å; F232-L244 HydrophobicContact CE2-CG 4.47Å; F232-L244 HydrophobicContact CZ-CB 3.99Å; F232-L244 HydrophobicContact CZ-CD2 4.31Å
233S93.4Very high92.3Very high45 Ų4542 Ų4232%0.31522%0.223SC..Hα-helixtrans-71.4-38.9173.2-63.10000112.1D102 P229 T230D102-S233 WeakPolarHBondContact CB-OG 3.49Å; D102-S233 WeakPolarHBondContact OD2-CB 3.41Å; D102-S233 PolarHBondContact OD2-OG 2.82Å; P229-S233 PolarHBondContact O-N 2.97Å; P229-S233 VanDerWaalsContact O-N 3.1Å; P229-S233 PolarHBondContact O-OG 3.44Å; T230-S233 WeakPolarHBondContact O-CB 3.44Å; T230-S233 PolarHBondContact O-N 3.35Å; T230-S233 VanDerWaalsContact O-N 3.08Å
234D92Very high92.2Very high126 Ų12642 Ų4267%0.67422%0.223SC*.Hα-helixtrans-72.6-32.1178.9-67.4-22.3000112.1T230T230-D234 PolarHBondContact O-N 3.36Å
235N90.6Very high92Very high51 Ų5142 Ų4227%0.27322%0.223SC..  trans-116.997.9-177.2-56.4-76.8000111.2R99 L231 D237 F238R99-N235 PolarHBondContact NH2-O 3.29Å; L231-N235 WeakPolarHBondContact O-CB 3.42Å; L231-N235 PolarHBondContact O-N 3.09Å; L231-N235 VanDerWaalsContact O-N 3.12Å; L231-N235 PolarHBondContact O-ND2 2.6Å; N235-D237 VanDerWaalsContact C-N 3.26Å; N235-D237 WeakPolarHBondContact CB-OD1 3.29Å; N235-D237 PolarHBondContact O-N 3.5Å; N235-F238 HydrophobicContact CB-CD1 4Å; N235-F238 HydrophobicContact CB-CD2 3.65Å; N235-F238 HydrophobicContact CB-CE1 3.72Å; N235-F238 HydrophobicContact CB-CE2 3.36Å; N235-F238 HydrophobicContact CB-CG 3.94Å; N235-F238 HydrophobicContact CB-CZ 3.36Å; N235-F238 VanDerWaalsContact CG-CZ 3.47Å; N235-F238 PolarHBondContact O-N 3.35Å
236F88Confident91.7Very high153 Ų15347.9 Ų47.967%0.67125%0.245SC*.THydrogen-bonded Turntrans-74.3-15.7-173.7-165.6-94.3000114.1R99 F238R99-F236 VanDerWaalsContact NH1-CE2 3.28Å; R99-F236 VanDerWaalsContact NH2-CA 3.26Å; R99-F236 PolarHBondContact NH2-O 2.89Å; F236-F238 VanDerWaalsContact C-N 3.35Å
237D89.2Confident91.4Very high110 Ų11049.2 Ų49.259%0.58825%0.248SC*.THydrogen-bonded Turntrans-76-19176.657.1-42.2000113.4N235 L239N235-D237 VanDerWaalsContact C-N 3.26Å; N235-D237 WeakPolarHBondContact CB-OD1 3.29Å; N235-D237 PolarHBondContact O-N 3.5Å; D237-L239 PolarHBondContact O-N 3.43Å
238F91.5Very high91.3Very high6 Ų645.7 Ų45.73%0.02623%0.232CC..  trans-73.2115.9178.4-60.3-9.3000111.8R99 F232 N235 F236 D243 L244 E247R99-F238 PolarHBondContact NH2-O 3.02Å; F232-F238 HydrophobicContact CD1-CB 3.53Å; F232-F238 HydrophobicContact CD1-CD2 4.21Å; F232-F238 HydrophobicContact CD1-CG 4.42Å; F232-F238 HydrophobicContact CE1-CB 3.54Å; F232-F238 HydrophobicContact CE1-CD2 4.41Å; F232-F238 HydrophobicContact CE1-CG 4.48Å; N235-F238 HydrophobicContact CB-CD1 4Å; N235-F238 HydrophobicContact CB-CD2 3.65Å; N235-F238 HydrophobicContact CB-CE1 3.72Å; N235-F238 HydrophobicContact CB-CE2 3.36Å; N235-F238 HydrophobicContact CB-CG 3.94Å; N235-F238 HydrophobicContact CB-CZ 3.36Å; N235-F238 VanDerWaalsContact CG-CZ 3.47Å; N235-F238 PolarHBondContact O-N 3.35Å; F236-F238 VanDerWaalsContact C-N 3.35Å; F238-D243 HydrophobicContact CB-CB 4.19Å; F238-D243 HydrophobicContact CD1-CB 4.09Å; F238-D243 HydrophobicContact CG-CB 4.3Å; F238-L244 HydrophobicContact CD2-CB 4.42Å; F238-L244 HydrophobicContact CD2-CD1 4.15Å; F238-L244 HydrophobicContact CE2-CD1 3.9Å; F238-E247 HydrophobicContact CE1-CB 3.83Å; F238-E247 HydrophobicContact CE1-CG 4.01Å; F238-E247 HydrophobicContact CZ-CB 3.58Å; F238-E247 HydrophobicContact CZ-CG 3.66Å
239L90.4Very high90.9Very high93 Ų9347.1 Ų47.149%0.48724%0.239SC..  trans-101.7-33.2177.4-60.8178.9000111.9S93 I94 G95 D237 D243S93-L239 WeakPolarHBondContact CB-O 3.42Å; I94-L239 PolarHBondContact N-O 2.79Å; G95-L239 PolarHBondContact N-O 3.48Å; D237-L239 PolarHBondContact O-N 3.43Å; L239-D243 PolarHBondContact N-OD2 3.39Å
240T90.5Very high90.4Very high50 Ų5051.3 Ų51.331%0.30726%0.26SS..SBendtrans-125168.6-172.569.70000112.3E242 D243T240-E242 PolarHBondContact O-N 3.29Å; T240-E242 PolarHBondContact OG1-N 3.42Å; T240-D243 PolarHBondContact N-OD2 3.35Å; T240-D243 PolarHBondContact O-N 3.44Å; T240-D243 PolarHBondContact OG1-N 2.94Å; T240-D243 PolarHBondContact OG1-OD2 2.95Å
241M91.1Very high89.8Confident6 Ų650.8 Ų50.83%0.0326%0.256CS..Hα-helixtrans-64.1-29.4170.7-67.2-59.4-6400112.2I94 F98 F113 M143 Y222 F232 D243 L244 I245I94-M241 HydrophobicContact CG2-CG 4.26Å; I94-M241 HydrophobicContact CG2-SD 4.2Å; F98-M241 HydrophobicContact CD2-SD 4.44Å; F98-M241 HydrophobicContact CE2-SD 3.55Å; F98-M241 VanDerWaalsContact CE2-SD 3.55Å; F98-M241 HydrophobicContact CZ-SD 4.22Å; F113-M241 HydrophobicContact CD1-SD 4.27Å; F113-M241 HydrophobicContact CE1-CG 4.15Å; F113-M241 HydrophobicContact CE1-SD 4.04Å; M143-M241 HydrophobicContact CE-CE 3.32Å; M143-M241 HydrophobicContact SD-CE 4.44Å; Y222-M241 HydrophobicContact CD1-CE 4.3Å; Y222-M241 HydrophobicContact CD2-CE 4.34Å; Y222-M241 HydrophobicContact CD2-CG 4.42Å; Y222-M241 HydrophobicContact CE2-CB 4.41Å; Y222-M241 HydrophobicContact CE2-CG 3.99Å; Y222-M241 HydrophobicContact CG-CE 4.13Å; F232-M241 HydrophobicContact CE2-SD 4.16Å; F232-M241 HydrophobicContact CZ-SD 4.12Å; M241-D243 VanDerWaalsContact C-N 3.33Å; M241-L244 HydrophobicContact CE-CD2 4.28Å; M241-L244 PolarHBondContact O-N 2.92Å; M241-I245 VanDerWaalsContact O-CD1 3.31Å; M241-I245 WeakPolarHBondContact O-CD1 3.25Å; M241-I245 WeakPolarHBondContact O-CG1 3.08Å; M241-I245 PolarHBondContact O-N 3.36Å
242E90.2Very high89Confident28 Ų2853 Ų5313%0.13127%0.266CS..Hα-helixtrans-69.6-33.1-179-62.4174.7152.100111.2Q163 F177 Q179 T240 I245 R246Q163-E242 PolarHBondContact NE2-OE1 2.93Å; Q163-E242 VanDerWaalsContact NE2-OE1 3.1Å; F177-E242 HydrophobicContact CE1-CB 4.16Å; F177-E242 HydrophobicContact CE1-CG 4.34Å; F177-E242 HydrophobicContact CZ-CB 4.3Å; F177-E242 HydrophobicContact CZ-CG 3.97Å; Q179-E242 PolarHBondContact OE1-OE2 3.46Å; T240-E242 PolarHBondContact O-N 3.29Å; T240-E242 PolarHBondContact OG1-N 3.42Å; E242-I245 PolarHBondContact O-N 2.87Å; E242-R246 WeakPolarHBondContact O-CB 3.49Å; E242-R246 WeakPolarHBondContact O-CG 3.47Å; E242-R246 PolarHBondContact O-N 3.46Å
243D90.3Very high87.9Confident33 Ų3360.3 Ų60.318%0.17630%0.3CS..Hα-helixtrans-63.4-48173.5-55.2-37.2000110.9F238 L239 T240 M241 I245 R246 E247F238-D243 HydrophobicContact CB-CB 4.19Å; F238-D243 HydrophobicContact CD1-CB 4.09Å; F238-D243 HydrophobicContact CG-CB 4.3Å; L239-D243 PolarHBondContact N-OD2 3.39Å; T240-D243 PolarHBondContact N-OD2 3.35Å; T240-D243 PolarHBondContact O-N 3.44Å; T240-D243 PolarHBondContact OG1-N 2.94Å; T240-D243 PolarHBondContact OG1-OD2 2.95Å; M241-D243 VanDerWaalsContact C-N 3.33Å; D243-I245 VanDerWaalsContact C-N 3.34Å; D243-I245 PolarHBondContact O-N 3.45Å; D243-R246 PolarHBondContact O-N 3.19Å; D243-R246 IonicContact OD1-CZ 3.51Å; D243-R246 IonicContact OD1-NH2 2.68Å; D243-R246 PolarHBondContact OD1-NH2 3.19Å; D243-E247 PolarHBondContact O-N 3.43Å
244L92.6Very high87Confident1 Ų164.8 Ų64.81%0.00532%0.319CS..Hα-helixtrans-58.5-45.5175.1177.771000111.7V228 L231 F232 F238 M241 R246 E247 V248V228-L244 HydrophobicContact CG1-CD2 3.81Å; V228-L244 HydrophobicContact CG2-CD2 4.45Å; L231-L244 HydrophobicContact CB-CD1 3.94Å; L231-L244 HydrophobicContact CD1-CD1 3.96Å; F232-L244 HydrophobicContact CE2-CB 4.27Å; F232-L244 HydrophobicContact CE2-CD2 3.79Å; F232-L244 HydrophobicContact CE2-CG 4.47Å; F232-L244 HydrophobicContact CZ-CB 3.99Å; F232-L244 HydrophobicContact CZ-CD2 4.31Å; F238-L244 HydrophobicContact CD2-CB 4.42Å; F238-L244 HydrophobicContact CD2-CD1 4.15Å; F238-L244 HydrophobicContact CE2-CD1 3.9Å; M241-L244 HydrophobicContact CE-CD2 4.28Å; M241-L244 PolarHBondContact O-N 2.92Å; L244-R246 PolarHBondContact O-N 3.41Å; L244-E247 PolarHBondContact O-N 2.84Å; L244-V248 HydrophobicContact CD1-CG2 4.03Å; L244-V248 HydrophobicContact CG-CG2 4.3Å; L244-V248 WeakPolarHBondContact O-CB 3.24Å; L244-V248 WeakPolarHBondContact O-CG2 3.09Å; L244-V248 PolarHBondContact O-N 2.89Å
245I92.3Very high86.3Confident0 Ų062.8 Ų62.80%031%0.308CS..Hα-helixtrans-62.4-45.3-178.9-68.1157000110.5M143 M145 L174 F177 M241 E242 D243 L249 I259M143-I245 HydrophobicContact SD-CG1 4.04Å; M145-I245 HydrophobicContact CE-CD1 3.4Å; M145-I245 VanDerWaalsContact CE-CD1 3.4Å; M145-I245 HydrophobicContact CE-CG1 4.47Å; M145-I245 HydrophobicContact SD-CD1 3.7Å; M145-I245 HydrophobicContact SD-CG1 4.18Å; L174-I245 HydrophobicContact CD2-CG2 3.74Å; F177-I245 HydrophobicContact CB-CG2 3.87Å; F177-I245 HydrophobicContact CD1-CG2 3.99Å; F177-I245 HydrophobicContact CD2-CG2 3.97Å; F177-I245 HydrophobicContact CG-CG2 3.68Å; M241-I245 VanDerWaalsContact O-CD1 3.31Å; M241-I245 WeakPolarHBondContact O-CD1 3.25Å; M241-I245 WeakPolarHBondContact O-CG1 3.08Å; M241-I245 PolarHBondContact O-N 3.36Å; E242-I245 PolarHBondContact O-N 2.87Å; D243-I245 VanDerWaalsContact C-N 3.34Å; D243-I245 PolarHBondContact O-N 3.45Å; I245-L249 HydrophobicContact CG2-CD1 3.94Å; I245-L249 VanDerWaalsContact O-CG 3.24Å; I245-L249 WeakPolarHBondContact O-CG 3.29Å; I245-L249 PolarHBondContact O-N 3.31Å; I245-I259 HydrophobicContact CB-CD1 4.16Å; I245-I259 HydrophobicContact CG1-CD1 4Å; I245-I259 HydrophobicContact CG2-CD1 4.06Å
246R88.4Confident85.9Confident123 Ų12361.9 Ų61.946%0.46431%0.311SS..Hα-helixtrans-60.4-47.9178.3-75.6-174.7-71.4-178.6-0.8111.3F177 E242 D243 L244 V248 L249 I250F177-R246 HydrophobicContact CD1-CG 3.93Å; F177-R246 HydrophobicContact CE1-CG 4.35Å; E242-R246 WeakPolarHBondContact O-CB 3.49Å; E242-R246 WeakPolarHBondContact O-CG 3.47Å; E242-R246 PolarHBondContact O-N 3.46Å; D243-R246 PolarHBondContact O-N 3.19Å; D243-R246 IonicContact OD1-CZ 3.51Å; D243-R246 IonicContact OD1-NH2 2.68Å; D243-R246 PolarHBondContact OD1-NH2 3.19Å; L244-R246 PolarHBondContact O-N 3.41Å; R246-V248 PolarHBondContact O-N 2.9Å; R246-L249 PolarHBondContact O-N 3.01Å; R246-I250 WeakPolarHBondContact O-CG1 3.32Å; R246-I250 PolarHBondContact O-N 3.12Å
247E87.1Confident86Confident62 Ų6255.4 Ų55.429%0.2928%0.283SS..Hα-helixtrans-68.1-39.3-176.6-164.367.4-173.700112.6F238 D243 L244 L249 I250 N251F238-E247 HydrophobicContact CE1-CB 3.83Å; F238-E247 HydrophobicContact CE1-CG 4.01Å; F238-E247 HydrophobicContact CZ-CB 3.58Å; F238-E247 HydrophobicContact CZ-CG 3.66Å; D243-E247 PolarHBondContact O-N 3.43Å; L244-E247 PolarHBondContact O-N 2.84Å; E247-L249 VanDerWaalsContact C-N 3.25Å; E247-L249 PolarHBondContact O-N 3.21Å; E247-I250 PolarHBondContact O-N 3.01Å; E247-N251 VanDerWaalsContact CD-ND2 3.32Å; E247-N251 WeakPolarHBondContact CG-ND2 3.31Å; E247-N251 WeakPolarHBondContact O-CB 3.5Å; E247-N251 PolarHBondContact O-N 3.27Å; E247-N251 PolarHBondContact OE1-ND2 3.26Å
248V88.6Confident86.2Confident4 Ų450.7 Ų50.72%0.02426%0.258CS..Hα-helixtrans-62.5-35.4177.2170.50000111.5L142 L244 R246 E252 N257 I259L142-V248 HydrophobicContact CD2-CG1 4.29Å; L142-V248 HydrophobicContact CD2-CG2 3.62Å; L244-V248 HydrophobicContact CD1-CG2 4.03Å; L244-V248 HydrophobicContact CG-CG2 4.3Å; L244-V248 WeakPolarHBondContact O-CB 3.24Å; L244-V248 WeakPolarHBondContact O-CG2 3.09Å; L244-V248 PolarHBondContact O-N 2.89Å; R246-V248 PolarHBondContact O-N 2.9Å; V248-E252 PolarHBondContact O-N 3.46Å; V248-N257 HydrophobicContact CG1-CB 3.91Å; V248-N257 WeakPolarHBondContact CG1-O 3.49Å; V248-I259 HydrophobicContact CB-CD1 3.94Å; V248-I259 HydrophobicContact CB-CG1 4.49Å; V248-I259 HydrophobicContact CG1-CD1 3.8Å; V248-I259 HydrophobicContact CG1-CG1 3.8Å
249L87.5Confident86.4Confident29 Ų2950.4 Ų50.415%0.15226%0.257CS..Hα-helixtrans-75.8-34.9177.4-67.2170.8000112.7L174 F177 I245 R246 E247L174-L249 HydrophobicContact CB-CD2 4.47Å; L174-L249 HydrophobicContact CD2-CD1 3.97Å; L174-L249 HydrophobicContact CG-CD1 4.06Å; L174-L249 HydrophobicContact CG-CD2 4.2Å; L174-L249 WeakPolarHBondContact O-CD2 3.34Å; F177-L249 HydrophobicContact CB-CD1 3.46Å; F177-L249 VanDerWaalsContact CB-CD1 3.46Å; I245-L249 HydrophobicContact CG2-CD1 3.94Å; I245-L249 VanDerWaalsContact O-CG 3.24Å; I245-L249 WeakPolarHBondContact O-CG 3.29Å; I245-L249 PolarHBondContact O-N 3.31Å; R246-L249 PolarHBondContact O-N 3.01Å; E247-L249 VanDerWaalsContact C-N 3.25Å; E247-L249 PolarHBondContact O-N 3.21Å
250I84.1Confident86.6Confident90 Ų9046.7 Ų46.746%0.46224%0.237SC..Hα-helixtrans-70.3-42.8176.6-67.7166.2000110.3R246 E247R246-I250 WeakPolarHBondContact O-CG1 3.32Å; R246-I250 PolarHBondContact O-N 3.12Å; E247-I250 PolarHBondContact O-N 3.01Å
251N79.7Confident86.8Confident39 Ų3944.3 Ų44.321%0.20922%0.222CC..THydrogen-bonded Turntrans-9723.9-176.8-65.4-30.2000113.5E247 E253 I254 L255E247-N251 VanDerWaalsContact CD-ND2 3.32Å; E247-N251 WeakPolarHBondContact CG-ND2 3.31Å; E247-N251 WeakPolarHBondContact O-CB 3.5Å; E247-N251 PolarHBondContact O-N 3.27Å; E247-N251 PolarHBondContact OE1-ND2 3.26Å; N251-E253 PolarHBondContact O-N 3.08Å; N251-I254 PolarHBondContact O-N 3.24Å; N251-L255 HydrophobicContact CB-CD1 4.03Å; N251-L255 HydrophobicContact CB-CG 4.44Å; N251-L255 PolarHBondContact O-N 2.95Å
252E76.5Confident87Confident65 Ų6546 Ų4630%0.30423%0.229SC..Hα-helixtrans-57.4-37.1-179.9-171178.8178.800110.9Q173 V248 I254 G256Q173-E252 PolarHBondContact NE2-OE1 3.05Å; V248-E252 PolarHBondContact O-N 3.46Å; E252-I254 VanDerWaalsContact C-N 3.3Å; E252-I254 PolarHBondContact O-N 2.96Å; E252-G256 WeakPolarHBondContact O-CA 3.26Å; E252-G256 PolarHBondContact O-N 2.92Å
253E71Confident87.1Confident153 Ų15347.3 Ų47.372%0.71523%0.234SC*.Hα-helixtrans-64.8-31.7178.3-66.7-170.9172.800113.5N251N251-E253 PolarHBondContact O-N 3.08Å
254I75.4Confident87.1Confident139 Ų13946 Ų4671%0.71323%0.227SC*.Hα-helixtrans-90.8-48-174.6-57.6172.1000110.6N251 E252N251-I254 PolarHBondContact O-N 3.24Å; E252-I254 VanDerWaalsContact C-N 3.3Å; E252-I254 PolarHBondContact O-N 2.96Å
255L76.6Confident86.8Confident83 Ų8353.2 Ų53.244%0.43526%0.261SS..Hα-helixtrans-89.7-25.7-174.1-67.5168.2000112.6N251 N257N251-L255 HydrophobicContact CB-CD1 4.03Å; N251-L255 HydrophobicContact CB-CG 4.44Å; N251-L255 PolarHBondContact O-N 2.95Å; L255-N257 HydrophobicContact CB-CB 4.42Å; L255-N257 PolarHBondContact O-N 2.97Å; L255-N257 VanDerWaalsContact O-N 3.17Å
256G83.1Confident86.4Confident33 Ų3359.9 Ų59.934%0.3430%0.296SS..  trans6511.6-176.200000114.4S140 E252S140-G256 WeakPolarHBondContact CB-O 3.23Å; S140-G256 PolarHBondContact OG-O 3.05Å; E252-G256 WeakPolarHBondContact O-CA 3.26Å; E252-G256 PolarHBondContact O-N 2.92Å
257N90.2Very high86.2Confident17 Ų1755 Ų559%0.09128%0.282CS..  trans-78.6132-177.7-75.3-24.3000110.4S140 L142 V248 L255S140-N257 WeakPolarHBondContact O-CA 3.42Å; L142-N257 HydrophobicContact CB-CB 4.23Å; L142-N257 HydrophobicContact CD2-CB 4.49Å; V248-N257 HydrophobicContact CG1-CB 3.91Å; V248-N257 WeakPolarHBondContact CG1-O 3.49Å; L255-N257 HydrophobicContact CB-CB 4.42Å; L255-N257 PolarHBondContact O-N 2.97Å; L255-N257 VanDerWaalsContact O-N 3.17Å
258T92.7Very high86.4Confident10 Ų1053.1 Ų53.16%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-113.9142.7-179.369.20000112.2S140 L142 H260S140-T258 PolarHBondContact O-N 3.11Å; L142-T258 PolarHBondContact N-O 3.07Å; T258-H260 PolarHBondContact OG1-NE2 3.41Å; T258-H260 VanDerWaalsContact OG1-NE2 3.14Å
259I95Very high86.5Confident1 Ų153.1 Ų53.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-110.1135174.4-58.5-175.8000108.1M143 M145 Q173 L174 I245 V248M143-I259 HydrophobicContact CG-CB 4.21Å; M143-I259 HydrophobicContact CG-CD1 4.19Å; M143-I259 HydrophobicContact CG-CG1 3.85Å; M143-I259 HydrophobicContact CG-CG2 3.72Å; M143-I259 HydrophobicContact SD-CD1 3.83Å; M143-I259 HydrophobicContact SD-CG1 4.18Å; M143-I259 HydrophobicContact SD-CG2 4.25Å; M145-I259 HydrophobicContact CG-CG2 4.08Å; M145-I259 HydrophobicContact SD-CG2 3.8Å; Q173-I259 WeakPolarHBondContact CA-O 3.47Å; L174-I259 HydrophobicContact CB-CB 4.17Å; L174-I259 HydrophobicContact CB-CG2 4.09Å; L174-I259 HydrophobicContact CD2-CB 4.33Å; L174-I259 HydrophobicContact CD2-CG2 3.83Å; L174-I259 PolarHBondContact N-O 3.38Å; I245-I259 HydrophobicContact CB-CD1 4.16Å; I245-I259 HydrophobicContact CG1-CD1 4Å; I245-I259 HydrophobicContact CG2-CD1 4.06Å; V248-I259 HydrophobicContact CB-CD1 3.94Å; V248-I259 HydrophobicContact CB-CG1 4.49Å; V248-I259 HydrophobicContact CG1-CD1 3.8Å; V248-I259 HydrophobicContact CG1-CG1 3.8Å
260H95.3Very high86.6Confident14 Ų1451.8 Ų51.87%0.06527%0.265CS..EExtended strand (participates in β ladder)trans-119.2152.6176.9-67.1-95.1000111.2M143 T144 M145 S171 N172 T258M143-H260 PolarHBondContact O-N 3.08Å; T144-H260 CarbonylContact C-O 3.56Å; T144-H260 VanDerWaalsContact CA-O 3.22Å; T144-H260 WeakPolarHBondContact CA-O 3.49Å; M145-H260 PolarHBondContact N-O 2.81Å; S171-H260 PolarHBondContact O-ND1 3.39Å; S171-H260 VanDerWaalsContact O-ND1 3.17Å; N172-H260 CarbonylContact O-C 3.53Å; N172-H260 WeakPolarHBondContact O-CA 3.29Å; T258-H260 PolarHBondContact OG1-NE2 3.41Å; T258-H260 VanDerWaalsContact OG1-NE2 3.14Å
261V95.1Very high87Confident0 Ų047.9 Ų47.90%025%0.246CC..EExtended strand (participates in β ladder)trans-109.1133.9174.5171.90000109.7M145 Y147 L167 N172 L174 K263M145-V261 HydrophobicContact CB-CG2 4.48Å; M145-V261 CarbonylContact O-C 3.54Å; M145-V261 WeakPolarHBondContact O-CA 3.46Å; Y147-V261 HydrophobicContact CD2-CG1 3.66Å; Y147-V261 HydrophobicContact CD2-CG2 4.26Å; Y147-V261 HydrophobicContact CE2-CG1 4.42Å; Y147-V261 HydrophobicContact CE2-CG2 4.22Å; Y147-V261 HydrophobicContact CG-CG1 4.24Å; L167-V261 HydrophobicContact CD1-CB 4.13Å; L167-V261 HydrophobicContact CD1-CG1 4.15Å; L167-V261 HydrophobicContact CD2-CB 3.93Å; L167-V261 HydrophobicContact CD2-CG2 3.63Å; N172-V261 VanDerWaalsContact CB-O 3.23Å; N172-V261 WeakPolarHBondContact CB-O 3.35Å; N172-V261 PolarHBondContact O-N 2.97Å; L174-V261 HydrophobicContact CB-CG2 4.49Å; V261-K263 HydrophobicContact CG1-CG 4.39Å
262Y94.5Very high87.5Confident41 Ų4146.2 Ų46.216%0.16124%0.237CC..EExtended strand (participates in β ladder)trans-107.6122168.5-174.3-80.4000108.9V127 E130 M145 V146 Y147 M264V127-Y262 HydrophobicContact CB-CD2 4.45Å; V127-Y262 HydrophobicContact CB-CG 4.39Å; V127-Y262 HydrophobicContact CG1-CD1 4.36Å; V127-Y262 HydrophobicContact CG1-CD2 4.24Å; V127-Y262 HydrophobicContact CG1-CG 3.94Å; V127-Y262 HydrophobicContact CG2-CD1 3.63Å; V127-Y262 HydrophobicContact CG2-CD2 4.24Å; V127-Y262 HydrophobicContact CG2-CE1 3.63Å; V127-Y262 HydrophobicContact CG2-CE2 4.19Å; V127-Y262 HydrophobicContact CG2-CG 3.96Å; E130-Y262 WeakPolarHBondContact OE2-CD2 3.33Å; E130-Y262 WeakPolarHBondContact OE2-CE2 3.33Å; M145-Y262 PolarHBondContact O-N 3.14Å; V146-Y262 WeakPolarHBondContact CA-O 3.48Å; Y147-Y262 PolarHBondContact N-O 3.41Å; Y262-M264 HydrophobicContact CD1-CB 4.35Å; Y262-M264 HydrophobicContact CE1-CB 4.22Å; Y262-M264 HydrophobicContact CE1-CG 4.19Å
263K92.8Very high87.9Confident57 Ų5744.5 Ų44.525%0.24823%0.228CC..EExtended strand (participates in β ladder)trans-91.4119.6177.2-55.8-177.4-167.9-172.30109.2Y147 E213 L216 V261Y147-K263 CarbonylContact O-C 3.57Å; Y147-K263 WeakPolarHBondContact O-CA 3.37Å; E213-K263 IonicContact OE1-NZ 2.65Å; E213-K263 PolarHBondContact OE1-NZ 3.42Å; E213-K263 VanDerWaalsContact OE2-CE 3.25Å; E213-K263 WeakPolarHBondContact OE2-CE 3.34Å; E213-K263 IonicContact OE2-NZ 3.04Å; E213-K263 PolarHBondContact OE2-NZ 3.42Å; L216-K263 HydrophobicContact CD2-CD 4.2Å; L216-K263 HydrophobicContact CD2-CG 4.24Å; V261-K263 HydrophobicContact CG1-CG 4.39Å
264M89.7Confident88.6Confident6 Ų637.8 Ų37.83%0.0320%0.197CC..  trans-103.2111.7-178-152.5-178.886.500109.9S122 V146 Y147 V148 P149 Y262 A267 V269S122-M264 WeakPolarHBondContact CB-SD 3.42Å; S122-M264 PolarHBondContact OG-SD 3.16Å; V146-M264 HydrophobicContact CG1-CB 4.13Å; V146-M264 HydrophobicContact CG1-SD 4.43Å; Y147-M264 PolarHBondContact O-N 3.39Å; V148-M264 HydrophobicContact CG2-CB 4.15Å; P149-M264 VanDerWaalsContact CD-O 3.31Å; P149-M264 WeakPolarHBondContact CD-O 3.46Å; Y262-M264 HydrophobicContact CD1-CB 4.35Å; Y262-M264 HydrophobicContact CE1-CB 4.22Å; Y262-M264 HydrophobicContact CE1-CG 4.19Å; M264-A267 HydrophobicContact CE-CB 3.48Å; M264-A267 VanDerWaalsContact CE-CB 3.48Å; M264-V269 HydrophobicContact CE-CG2 3.18Å; M264-V269 HydrophobicContact SD-CG2 4.34Å
265E86.8Confident89.1Confident151 Ų15132 Ų3271%0.70617%0.166SC*.  trans-104.5-28.8-176.6-63.5-178.8-178.600112.6P149 A267P149-E265 HydrophobicContact CG-CG 4Å; E265-A267 PolarHBondContact O-N 2.77Å
266D84Confident89.5Confident140 Ų14030.2 Ų30.275%0.74916%0.156SC*.SBendtrans-87.23.5-167.9-65.5-27.6000114.7
267A85.6Confident89.8Confident20 Ų2028.8 Ų28.817%0.16514%0.14CC..SBendtrans-152.2157.9-177.100000113.8N121 S122 M264 E265N121-A267 VanDerWaalsContact OD1-CB 3.24Å; N121-A267 WeakPolarHBondContact OD1-CB 3.4Å; S122-A267 VanDerWaalsContact CB-CB 3.48Å; M264-A267 HydrophobicContact CE-CB 3.48Å; M264-A267 VanDerWaalsContact CE-CB 3.48Å; E265-A267 PolarHBondContact O-N 2.77Å
268Y90.9Very high89.8Confident24 Ų2428 Ų289%0.09414%0.136CC..  trans-77.6133.2176.9176.2-96.3000109.8S120 N121 N284 W289 C290S120-Y268 VanDerWaalsContact CA-O 3.27Å; S120-Y268 WeakPolarHBondContact CA-O 3.37Å; S120-Y268 PolarHBondContact OG-O 3.14Å; N121-Y268 PolarHBondContact N-O 2.87Å; N121-Y268 PolarHBondContact OD1-N 3.49Å; N121-Y268 PolarHBondContact OD1-O 3.14Å; Y268-N284 HydrophobicContact CE2-CB 3.98Å; Y268-N284 WeakPolarHBondContact CE2-ND2 3.25Å; Y268-N284 VanDerWaalsContact OH-CB 3.27Å; Y268-N284 WeakPolarHBondContact OH-CB 3.31Å; Y268-N284 PolarHBondContact OH-ND2 2.7Å; Y268-W289 WeakPolarHBondContact CB-O 3.22Å; Y268-W289 HydrophobicContact CD2-CB 3.83Å; Y268-W289 HydrophobicContact CE2-CB 4.08Å; Y268-W289 HydrophobicContact CG-CB 4.23Å; Y268-C290 HydrophobicContact CD1-CB 3.63Å; Y268-C290 HydrophobicContact CE1-CB 4.04Å; Y268-C290 HydrophobicContact CG-CB 4.42Å
269V90.7Very high89.8Confident4 Ų427.8 Ų27.82%0.02414%0.135CC..EExtended strand (participates in β ladder)trans-132.7128.4165.7-168.20000108.8V118 V119 V148 M217 C219 L221 M264V118-V269 HydrophobicContact CG1-CG1 3.96Å; V119-V269 CarbonylContact O-C 3.47Å; V119-V269 WeakPolarHBondContact O-CA 3.42Å; V148-V269 HydrophobicContact CG2-CB 3.91Å; V148-V269 HydrophobicContact CG2-CG2 3.7Å; M217-V269 WeakPolarHBondContact CE-O 3.44Å; C219-V269 HydrophobicContact CB-CG1 3.73Å; C219-V269 VanDerWaalsContact SG-CG1 3.59Å; L221-V269 HydrophobicContact CD1-CG1 4.45Å; M264-V269 HydrophobicContact CE-CG2 3.18Å; M264-V269 HydrophobicContact SD-CG2 4.34Å
270G90.1Very high89.6Confident0 Ų028.5 Ų28.50%014%0.14CC..EExtended strand (participates in β ladder)trans-128.3138.1170.100000109.7V119V119-G270 PolarHBondContact N-O 2.69Å; V119-G270 PolarHBondContact O-N 2.99Å
271T91.1Very high89.5Confident8 Ų827.8 Ų27.85%0.04914%0.137CC..EExtended strand (participates in β ladder)trans-120.3119.9178.9-50.90000109.5G117 V118 C219 R273 T277G117-T271 WeakPolarHBondContact O-CA 3.26Å; V118-T271 HydrophobicContact CG2-CG2 4.13Å; C219-T271 PolarHBondContact O-OG1 3.49Å; T271-R273 HydrophobicContact CG2-CG 3.8Å; T271-R273 PolarHBondContact O-N 2.65Å; T271-T277 WeakPolarHBondContact O-CB 3.28Å
272V90.8Very high89.5Confident4 Ų427.9 Ų27.92%0.02414%0.137CC..  trans-80.5105.6176.2-179.30000109.2L22 V34 L39 G117 W278 V281L22-V272 HydrophobicContact CD1-CG1 4.12Å; V34-V272 HydrophobicContact CG2-CG2 4.37Å; L39-V272 HydrophobicContact CD1-CB 4.24Å; L39-V272 HydrophobicContact CD1-CG1 4.32Å; L39-V272 HydrophobicContact CD2-CB 4.45Å; L39-V272 HydrophobicContact CD2-CG2 3.99Å; G117-V272 PolarHBondContact O-N 2.64Å; V272-W278 HydrophobicContact CG1-CB 3.73Å; V272-W278 HydrophobicContact CG1-CG 3.95Å; V272-V281 HydrophobicContact CG2-CB 4.1Å; V272-V281 HydrophobicContact CG2-CG1 4.14Å; V272-V281 HydrophobicContact CG2-CG2 4.28Å
273R85.4Confident89.4Confident29 Ų2928.8 Ų28.811%0.10914%0.142CC..  trans-120.3-17.7-179.8-56.2-172.7-165.2-154.22.9113.7N19 H161 D218 S220 T271 T277N19-R273 PolarHBondContact ND2-O 3.18Å; H161-R273 VanDerWaalsContact CD2-CD 3.47Å; H161-R273 WeakPolarHBondContact CD2-CD 3.49Å; D218-R273 PolarHBondContact O-NH2 3.23Å; D218-R273 IonicContact OD1-NH2 3.75Å; D218-R273 IonicContact OD2-CZ 3.51Å; D218-R273 IonicContact OD2-NH1 3.66Å; D218-R273 PolarHBondContact OD2-NH1 3.38Å; D218-R273 IonicContact OD2-NH2 3.41Å; D218-R273 PolarHBondContact OD2-NH2 3.48Å; S220-R273 VanDerWaalsContact OG-CZ 3.26Å; S220-R273 PolarHBondContact OG-NH2 3.03Å; T271-R273 HydrophobicContact CG2-CG 3.8Å; T271-R273 PolarHBondContact O-N 2.65Å; R273-T277 PolarHBondContact N-OG1 3.16Å
274D84.5Confident89.4Confident12 Ų1226.8 Ų26.86%0.06413%0.134CC..SBendtrans-157.7176.6-178.654.232.6000109.1S158 H276 T277 W278S158-D274 VanDerWaalsContact CB-OD2 3.3Å; S158-D274 WeakPolarHBondContact CB-OD2 3.09Å; S158-D274 PolarHBondContact OG-OD2 3.47Å; D274-H276 PolarHBondContact O-N 3.38Å; D274-H276 PolarHBondContact OD1-N 2.89Å; D274-T277 PolarHBondContact N-OG1 2.97Å; D274-T277 PolarHBondContact O-OG1 3.34Å; D274-T277 VanDerWaalsContact OD1-CB 3.32Å; D274-T277 WeakPolarHBondContact OD1-CB 3.15Å; D274-T277 WeakPolarHBondContact OD1-CG2 3.43Å; D274-T277 PolarHBondContact OD1-N 3.37Å; D274-T277 PolarHBondContact OD1-OG1 3.38Å; D274-W278 VanDerWaalsContact O-CB 3.28Å; D274-W278 WeakPolarHBondContact O-CB 3.36Å; D274-W278 PolarHBondContact O-N 2.98Å
275F85.7Confident89.5Confident17 Ų1726.5 Ų26.58%0.07513%0.132CC..Hα-helixtrans-64.4-30.3180-61.8-76.7000112.7R21 L22 L25 W278 L279 V390 V408R21-F275 VanDerWaalsContact O-CE2 3.29Å; R21-F275 WeakPolarHBondContact O-CE2 3.05Å; R21-F275 VanDerWaalsContact O-CZ 3.28Å; R21-F275 WeakPolarHBondContact O-CZ 3.19Å; L22-F275 HydrophobicContact CD2-CD1 4.11Å; L22-F275 HydrophobicContact CD2-CE1 3.89Å; L22-F275 HydrophobicContact CD2-CE2 4.41Å; L22-F275 HydrophobicContact CD2-CG 4.47Å; L22-F275 HydrophobicContact CD2-CZ 4.05Å; L25-F275 HydrophobicContact CD1-CE1 4.38Å; F275-W278 AromaticContact CD1-CE3 3.93Å; F275-W278 HydrophobicContact CD1-CE3 3.93Å; F275-W278 HydrophobicContact CD1-CZ3 4.2Å; F275-W278 HydrophobicContact CE1-CE3 4.31Å; F275-W278 HydrophobicContact CE1-CZ3 4.19Å; F275-L279 VanDerWaalsContact O-CG 3.32Å; F275-L279 WeakPolarHBondContact O-CG 2.9Å; F275-L279 PolarHBondContact O-N 3.31Å; F275-V390 HydrophobicContact CD1-CB 4.36Å; F275-V390 HydrophobicContact CD1-CG2 4.11Å; F275-V408 HydrophobicContact CD1-CG1 4.22Å; F275-V408 HydrophobicContact CD1-CG2 3.76Å; F275-V408 HydrophobicContact CD2-CG2 3.93Å; F275-V408 HydrophobicContact CE1-CB 4.36Å; F275-V408 HydrophobicContact CE1-CG1 3.53Å; F275-V408 HydrophobicContact CE1-CG2 3.87Å; F275-V408 HydrophobicContact CE2-CG1 4.41Å; F275-V408 HydrophobicContact CE2-CG2 4.03Å; F275-V408 HydrophobicContact CG-CG2 3.8Å; F275-V408 HydrophobicContact CZ-CB 4.37Å; F275-V408 HydrophobicContact CZ-CG1 3.65Å; F275-V408 HydrophobicContact CZ-CG2 4Å
276H85.5Confident89.9Confident47 Ų4719.3 Ų19.322%0.21810%0.099CC..Hα-helixtrans-66.7-55.9177.8174.569.9000111.2P155 D274 W278 L279 S280 F457P155-H276 PolarHBondContact O-NE2 3.03Å; D274-H276 PolarHBondContact O-N 3.38Å; D274-H276 PolarHBondContact OD1-N 2.89Å; H276-W278 PolarHBondContact O-N 2.65Å; H276-L279 PolarHBondContact O-N 3.49Å; H276-S280 PolarHBondContact O-N 2.84Å; H276-S280 PolarHBondContact O-OG 3.29Å; H276-F457 AromaticContact ND1-CE2 4Å
277T89.4Confident90.3Very high2 Ų215 Ų151%0.0127%0.074CC..Hα-helixtrans-61.1-34.2175.952.70000111.5C156 T271 R273 D274 S280 V281C156-T277 WeakPolarHBondContact O-CG2 3.45Å; T271-T277 WeakPolarHBondContact O-CB 3.28Å; R273-T277 PolarHBondContact N-OG1 3.16Å; D274-T277 PolarHBondContact N-OG1 2.97Å; D274-T277 PolarHBondContact O-OG1 3.34Å; D274-T277 VanDerWaalsContact OD1-CB 3.32Å; D274-T277 WeakPolarHBondContact OD1-CB 3.15Å; D274-T277 WeakPolarHBondContact OD1-CG2 3.43Å; D274-T277 PolarHBondContact OD1-N 3.37Å; D274-T277 PolarHBondContact OD1-OG1 3.38Å; T277-S280 PolarHBondContact O-N 2.84Å; T277-V281 VanDerWaalsContact O-CB 3.27Å; T277-V281 WeakPolarHBondContact O-CB 3.41Å; T277-V281 WeakPolarHBondContact O-CG2 3.49Å; T277-V281 PolarHBondContact O-N 3.24Å
278W91.2Very high90.6Very high0 Ų017.8 Ų17.80%08%0.08CC..Hα-helixtrans-61.1-50.6173.3-169.210.1000111.9L22 L25 L32 P33 V272 D274 F275 H276 S280 N282 I373 M375 V390L22-W278 HydrophobicContact CD2-CE3 4.26Å; L25-W278 HydrophobicContact CD1-CH2 3.92Å; L25-W278 HydrophobicContact CD1-CZ3 3.65Å; L32-W278 HydrophobicContact CB-CH2 4.43Å; L32-W278 HydrophobicContact CB-CZ2 4.12Å; L32-W278 HydrophobicContact CD2-CH2 4.22Å; P33-W278 HydrophobicContact CG-CZ2 4.47Å; P33-W278 WeakPolarHBondContact O-CZ2 3.31Å; P33-W278 PolarHBondContact O-NE1 3.13Å; V272-W278 HydrophobicContact CG1-CB 3.73Å; V272-W278 HydrophobicContact CG1-CG 3.95Å; D274-W278 VanDerWaalsContact O-CB 3.28Å; D274-W278 WeakPolarHBondContact O-CB 3.36Å; D274-W278 PolarHBondContact O-N 2.98Å; F275-W278 AromaticContact CD1-CE3 3.93Å; F275-W278 HydrophobicContact CD1-CE3 3.93Å; F275-W278 HydrophobicContact CD1-CZ3 4.2Å; F275-W278 HydrophobicContact CE1-CE3 4.31Å; F275-W278 HydrophobicContact CE1-CZ3 4.19Å; H276-W278 PolarHBondContact O-N 2.65Å; W278-S280 PolarHBondContact O-N 2.98Å; W278-N282 WeakPolarHBondContact O-CB 3.43Å; W278-N282 PolarHBondContact O-N 3.3Å; W278-I373 HydrophobicContact CD2-CD1 4.06Å; W278-I373 HydrophobicContact CG-CD1 4.06Å; W278-I373 HydrophobicContact CZ2-CD1 4.47Å; W278-I373 HydrophobicContact CZ2-CG2 4.12Å; W278-M375 HydrophobicContact CH2-SD 4.23Å; W278-V390 HydrophobicContact CE3-CG1 4.21Å; W278-V390 HydrophobicContact CE3-CG2 4.38Å; W278-V390 HydrophobicContact CH2-CG1 3.8Å; W278-V390 HydrophobicContact CZ3-CG1 3.48Å; W278-V390 VanDerWaalsContact CZ3-CG1 3.48Å; W278-V390 HydrophobicContact CZ3-CG2 4.45Å
279L91.4Very high90.6Very high7 Ų724.2 Ų24.24%0.03710%0.104CC..Hα-helixtrans-60.4-44.2176.5-72.3168.6000111.8F275 H276 N282 K283 N371 I373 V390F275-L279 VanDerWaalsContact O-CG 3.32Å; F275-L279 WeakPolarHBondContact O-CG 2.9Å; F275-L279 PolarHBondContact O-N 3.31Å; H276-L279 PolarHBondContact O-N 3.49Å; L279-N282 WeakPolarHBondContact O-CB 3.24Å; L279-N282 PolarHBondContact O-N 3.01Å; L279-K283 PolarHBondContact O-N 3.2Å; L279-N371 WeakPolarHBondContact CD2-O 3.39Å; L279-I373 HydrophobicContact CD2-CD1 3.71Å; L279-I373 HydrophobicContact CD2-CG1 3.8Å; L279-I373 HydrophobicContact CG-CD1 4.39Å; L279-V390 HydrophobicContact CD2-CG2 4.33Å; L279-V390 HydrophobicContact CG-CG2 4.48Å
280S91.4Very high90.6Very high15 Ų1524 Ų2411%0.10510%0.103CC..Hα-helixtrans-65.7-46.8179.8-64.20000112.7P155 H276 T277 W278 N282 K283 N284P155-S280 WeakPolarHBondContact O-CB 3.48Å; P155-S280 PolarHBondContact O-OG 3.04Å; H276-S280 PolarHBondContact O-N 2.84Å; H276-S280 PolarHBondContact O-OG 3.29Å; T277-S280 PolarHBondContact O-N 2.84Å; W278-S280 PolarHBondContact O-N 2.98Å; S280-N282 VanDerWaalsContact C-N 3.32Å; S280-N282 PolarHBondContact O-N 2.58Å; S280-K283 PolarHBondContact O-N 3.41Å; S280-N284 VanDerWaalsContact O-CG 3.26Å; S280-N284 PolarHBondContact O-N 3.43Å; S280-N284 PolarHBondContact O-OD1 3.1Å
281V92.8Very high90.6Very high0 Ų029 Ų290%013%0.125CC..Hα-helixtrans-64.9-39.5176.7174.70000110.3V34 V119 V272 T277 K283 N284 I285V34-V281 HydrophobicContact CG1-CG1 4.22Å; V119-V281 HydrophobicContact CB-CG1 4.43Å; V119-V281 HydrophobicContact CG2-CG1 4.16Å; V272-V281 HydrophobicContact CG2-CB 4.1Å; V272-V281 HydrophobicContact CG2-CG1 4.14Å; V272-V281 HydrophobicContact CG2-CG2 4.28Å; T277-V281 VanDerWaalsContact O-CB 3.27Å; T277-V281 WeakPolarHBondContact O-CB 3.41Å; T277-V281 WeakPolarHBondContact O-CG2 3.49Å; T277-V281 PolarHBondContact O-N 3.24Å; V281-K283 PolarHBondContact O-N 3.33Å; V281-N284 PolarHBondContact O-N 2.71Å; V281-I285 HydrophobicContact CG1-CD1 4.26Å; V281-I285 HydrophobicContact CG1-CG1 4.46Å; V281-I285 WeakPolarHBondContact O-CG1 3.15Å; V281-I285 PolarHBondContact O-N 3Å
282N94.1Very high90.4Very high1 Ų131.6 Ų31.61%0.00514%0.142CC..Hα-helixtrans-57.1-50.6174.5-173.973.5000111.7V34 A35 W278 L279 S280 N284 I285 I286 T356 I373V34-N282 VanDerWaalsContact CG1-CA 3.48Å; V34-N282 HydrophobicContact CG1-CB 3.93Å; A35-N282 WeakPolarHBondContact CA-OD1 3.36Å; A35-N282 PolarHBondContact N-OD1 2.88Å; W278-N282 WeakPolarHBondContact O-CB 3.43Å; W278-N282 PolarHBondContact O-N 3.3Å; L279-N282 WeakPolarHBondContact O-CB 3.24Å; L279-N282 PolarHBondContact O-N 3.01Å; S280-N282 VanDerWaalsContact C-N 3.32Å; S280-N282 PolarHBondContact O-N 2.58Å; N282-N284 VanDerWaalsContact C-N 3.31Å; N282-N284 PolarHBondContact O-N 3.04Å; N282-I285 PolarHBondContact O-N 2.85Å; N282-I286 WeakPolarHBondContact O-CD1 3.4Å; N282-I286 VanDerWaalsContact O-CG1 3.23Å; N282-I286 WeakPolarHBondContact O-CG1 3.41Å; N282-I286 PolarHBondContact O-N 3.41Å; N282-I286 VanDerWaalsContact O-N 3.17Å; N282-T356 PolarHBondContact ND2-OG1 3.34Å; N282-T356 PolarHBondContact OD1-OG1 3.26Å; N282-I373 HydrophobicContact CB-CD1 3.94Å
283K93Very high90.3Very high61 Ų6132.8 Ų32.827%0.26515%0.147SC..Hα-helixtrans-58.4-43.4176-176.2170.1178.2160.40112.2L279 S280 V281 I285 I286 E287 D354L279-K283 PolarHBondContact O-N 3.2Å; S280-K283 PolarHBondContact O-N 3.41Å; V281-K283 PolarHBondContact O-N 3.33Å; K283-I285 PolarHBondContact O-N 2.85Å; K283-I286 PolarHBondContact O-N 3.2Å; K283-E287 WeakPolarHBondContact O-CB 3.25Å; K283-E287 WeakPolarHBondContact O-CG 3.22Å; K283-E287 PolarHBondContact O-N 3.29Å; K283-D354 IonicContact NZ-OD1 3.9Å; K283-D354 IonicContact NZ-OD2 2.7Å; K283-D354 PolarHBondContact NZ-OD2 3.46Å
284N92.9Very high90.4Very high14 Ų1431.4 Ų31.48%0.07514%0.142CC..Hα-helixtrans-65.7-37.8-178.9-73.5-3.1000113.5C156 Y268 S280 V281 N282 I286 E287 R288 W289C156-N284 PolarHBondContact SG-ND2 3.18Å; Y268-N284 HydrophobicContact CE2-CB 3.98Å; Y268-N284 WeakPolarHBondContact CE2-ND2 3.25Å; Y268-N284 VanDerWaalsContact OH-CB 3.27Å; Y268-N284 WeakPolarHBondContact OH-CB 3.31Å; Y268-N284 PolarHBondContact OH-ND2 2.7Å; S280-N284 VanDerWaalsContact O-CG 3.26Å; S280-N284 PolarHBondContact O-N 3.43Å; S280-N284 PolarHBondContact O-OD1 3.1Å; V281-N284 PolarHBondContact O-N 2.71Å; N282-N284 VanDerWaalsContact C-N 3.31Å; N282-N284 PolarHBondContact O-N 3.04Å; N284-I286 VanDerWaalsContact C-N 3.35Å; N284-E287 CarbonylContact O-C 3.58Å; N284-E287 PolarHBondContact O-N 2.94Å; N284-R288 PolarHBondContact O-N 2.95Å; N284-R288 VanDerWaalsContact O-N 3.13Å; N284-W289 HydrophobicContact CB-CB 4.18Å; N284-W289 HydrophobicContact CB-CG 4.27Å; N284-W289 WeakPolarHBondContact O-CB 3.47Å; N284-W289 PolarHBondContact O-N 2.78Å
285I92.9Very high90.6Very high0 Ų030.9 Ų30.90%014%0.139CC..Hα-helixtrans-64-43.3174.4-67.8-176.3000110.3V34 A35 L42 V119 V281 N282 K283 E287 R288 C290V34-I285 HydrophobicContact CB-CD1 4.16Å; V34-I285 HydrophobicContact CG1-CD1 3.5Å; V34-I285 VanDerWaalsContact CG1-CD1 3.5Å; V34-I285 HydrophobicContact CG1-CG1 4.36Å; A35-I285 HydrophobicContact CB-CB 4.45Å; A35-I285 HydrophobicContact CB-CG2 3.87Å; L42-I285 HydrophobicContact CD1-CD1 3.93Å; V119-I285 HydrophobicContact CG1-CD1 3.93Å; V281-I285 HydrophobicContact CG1-CD1 4.26Å; V281-I285 HydrophobicContact CG1-CG1 4.46Å; V281-I285 WeakPolarHBondContact O-CG1 3.15Å; V281-I285 PolarHBondContact O-N 3Å; N282-I285 PolarHBondContact O-N 2.85Å; K283-I285 PolarHBondContact O-N 2.85Å; I285-E287 VanDerWaalsContact C-N 3.29Å; I285-E287 PolarHBondContact O-N 2.89Å; I285-R288 WeakPolarHBondContact O-CA 3.34Å; I285-R288 PolarHBondContact O-N 3.23Å; I285-C290 HydrophobicContact CG1-CB 4.33Å
286I93.4Very high90.7Very high1 Ų131.4 Ų31.41%0.00514%0.143CC..Hα-helixtrans-62.7-39177.5-61.7167.3000111.1A35 N282 K283 N284 R288 N318 Y320 N337 V339 T356A35-I286 HydrophobicContact CB-CG1 4.01Å; N282-I286 WeakPolarHBondContact O-CD1 3.4Å; N282-I286 VanDerWaalsContact O-CG1 3.23Å; N282-I286 WeakPolarHBondContact O-CG1 3.41Å; N282-I286 PolarHBondContact O-N 3.41Å; N282-I286 VanDerWaalsContact O-N 3.17Å; K283-I286 PolarHBondContact O-N 3.2Å; N284-I286 VanDerWaalsContact C-N 3.35Å; I286-R288 PolarHBondContact O-N 2.94Å; I286-N318 HydrophobicContact CG2-CB 4.29Å; I286-Y320 HydrophobicContact CB-CE2 4.46Å; I286-Y320 HydrophobicContact CG2-CD2 4.16Å; I286-Y320 HydrophobicContact CG2-CE2 3.72Å; I286-Y320 WeakPolarHBondContact O-CE2 3.46Å; I286-Y320 PolarHBondContact O-OH 3.46Å; I286-N337 VanDerWaalsContact CG2-CA 3.45Å; I286-N337 HydrophobicContact CG2-CB 3.62Å; I286-V339 HydrophobicContact CD1-CG2 3.92Å; I286-V339 HydrophobicContact CG1-CG2 3.7Å; I286-V339 HydrophobicContact CG2-CG2 4.34Å; I286-T356 WeakPolarHBondContact CD1-OG1 3.38Å
287E93.2Very high90.7Very high50 Ų5032 Ų3223%0.23415%0.151CC..THydrogen-bonded Turntrans-75.60.9175-72.6-171.1163.100114.2K283 N284 I285 W289 K336 N337K283-E287 WeakPolarHBondContact O-CB 3.25Å; K283-E287 WeakPolarHBondContact O-CG 3.22Å; K283-E287 PolarHBondContact O-N 3.29Å; N284-E287 CarbonylContact O-C 3.58Å; N284-E287 PolarHBondContact O-N 2.94Å; I285-E287 VanDerWaalsContact C-N 3.29Å; I285-E287 PolarHBondContact O-N 2.89Å; E287-W289 VanDerWaalsContact C-N 3.35Å; E287-W289 PolarHBondContact O-N 3.01Å; E287-W289 PolarHBondContact OE2-NE1 2.81Å; E287-K336 IonicContact OE1-NZ 3.4Å; E287-K336 PolarHBondContact OE1-NZ 3.28Å; E287-N337 WeakPolarHBondContact CG-OD1 3.23Å; E287-N337 PolarHBondContact OE1-ND2 3.08Å
288R92.5Very high90.3Very high78 Ų7832.5 Ų32.529%0.29415%0.153SC..THydrogen-bonded Turntrans69.122.9175.3-45.9179.984.6-167.79.1115.2N284 I285 I286 C290 F291 T294 D296 Y320N284-R288 PolarHBondContact O-N 2.95Å; N284-R288 VanDerWaalsContact O-N 3.13Å; I285-R288 WeakPolarHBondContact O-CA 3.34Å; I285-R288 PolarHBondContact O-N 3.23Å; I286-R288 PolarHBondContact O-N 2.94Å; R288-C290 PolarHBondContact O-N 3.01Å; R288-F291 PolarHBondContact O-N 2.84Å; R288-T294 HydrophobicContact CB-CG2 3.85Å; R288-T294 HydrophobicContact CG-CG2 3.93Å; R288-D296 IonicContact CZ-OD2 2.61Å; R288-D296 IonicContact NE-OD2 3.39Å; R288-D296 IonicContact NH2-OD2 3.75Å; R288-D296 PolarHBondContact NH2-OD2 3.11Å; R288-Y320 VanDerWaalsContact CG-OH 3.27Å; R288-Y320 WeakPolarHBondContact CG-OH 3.39Å
289W90.9Very high89.6Confident158 Ų15835.1 Ų35.160%0.59817%0.17SC*.THydrogen-bonded Turntrans-61.5-32.3172.8-72.589000112.5Y268 N284 E287Y268-W289 WeakPolarHBondContact CB-O 3.22Å; Y268-W289 HydrophobicContact CD2-CB 3.83Å; Y268-W289 HydrophobicContact CE2-CB 4.08Å; Y268-W289 HydrophobicContact CG-CB 4.23Å; N284-W289 HydrophobicContact CB-CB 4.18Å; N284-W289 HydrophobicContact CB-CG 4.27Å; N284-W289 WeakPolarHBondContact O-CB 3.47Å; N284-W289 PolarHBondContact O-N 2.78Å; E287-W289 VanDerWaalsContact C-N 3.35Å; E287-W289 PolarHBondContact O-N 3.01Å; E287-W289 PolarHBondContact OE2-NE1 2.81Å
290C90.2Very high88.5Confident0 Ų035.9 Ų35.90%017%0.173CC..THydrogen-bonded Turntrans-96.628.9178.7-158.10000113.3V119 Y268 I285 R288 F293V119-C290 HydrophobicContact CG1-CB 4.48Å; Y268-C290 HydrophobicContact CD1-CB 3.63Å; Y268-C290 HydrophobicContact CE1-CB 4.04Å; Y268-C290 HydrophobicContact CG-CB 4.42Å; I285-C290 HydrophobicContact CG1-CB 4.33Å; R288-C290 PolarHBondContact O-N 3.01Å; C290-F293 WeakPolarHBondContact O-CA 3.42Å; C290-F293 WeakPolarHBondContact O-CB 3.47Å; C290-F293 PolarHBondContact O-N 3.15Å
291F89.7Confident87.2Confident104 Ų10438.9 Ų38.946%0.45619%0.192SC..THydrogen-bonded Turntrans-54.6134.6175.5-173.8-92.8000110.8N121 R288 T294N121-F291 PolarHBondContact ND2-O 3.4Å; R288-F291 PolarHBondContact O-N 2.84Å; F291-T294 HydrophobicContact CD2-CG2 4.45Å
292P87.7Confident85.6Confident63 Ų6340.6 Ų40.641%0.40921%0.205SC..THydrogen-bonded Turncis-89.56.211.536.7-36.8000116.2T294 C297P292-T294 PolarHBondContact O-N 2.82Å; P292-C297 WeakPolarHBondContact O-CB 3.42Å
293F87.6Confident83.9Confident30 Ų3049.6 Ų49.613%0.13224%0.238CC..SBendtrans-81.762.6-177.9-51.4-37.5000111.9L42 E45 S120 N121 C290 W298L42-F293 HydrophobicContact CD2-CB 4.11Å; E45-F293 HydrophobicContact CB-CD1 4.46Å; E45-F293 HydrophobicContact CB-CE1 4.07Å; E45-F293 HydrophobicContact CB-CZ 4.36Å; E45-F293 HydrophobicContact CG-CD1 3.89Å; E45-F293 HydrophobicContact CG-CE1 3.39Å; E45-F293 HydrophobicContact CG-CZ 4.04Å; S120-F293 VanDerWaalsContact O-CE2 3.22Å; S120-F293 WeakPolarHBondContact O-CE2 3.41Å; N121-F293 HydrophobicContact CB-CD2 4.3Å; N121-F293 HydrophobicContact CB-CE2 4.27Å; C290-F293 WeakPolarHBondContact O-CA 3.42Å; C290-F293 WeakPolarHBondContact O-CB 3.47Å; C290-F293 PolarHBondContact O-N 3.15Å; F293-W298 HydrophobicContact CB-CZ3 4.49Å; F293-W298 HydrophobicContact CD1-CZ3 4.21Å
294T88.3Confident82.4Confident0 Ų055.1 Ų55.10%027%0.265CS..SBendtrans-119.3153.4-179.454.80000110.7R288 F291 P292 D296 C297 W298R288-T294 HydrophobicContact CB-CG2 3.85Å; R288-T294 HydrophobicContact CG-CG2 3.93Å; F291-T294 HydrophobicContact CD2-CG2 4.45Å; P292-T294 PolarHBondContact O-N 2.82Å; T294-D296 WeakPolarHBondContact CB-OD1 3.44Å; T294-D296 PolarHBondContact O-N 3.09Å; T294-D296 PolarHBondContact OG1-OD1 3.31Å; T294-C297 PolarHBondContact O-N 3.44Å; T294-W298 PolarHBondContact O-N 3.07Å; T294-W298 VanDerWaalsContact O-N 3.08Å
295P88.8Confident80.7Confident0 Ų056.1 Ų56.10%027%0.273CS..THydrogen-bonded Turntrans-56.3-29.9-173.9-26.835.1000114.5A35 F300 Y312 Y320 V339A35-P295 HydrophobicContact CB-CG 3.76Å; P295-F300 WeakPolarHBondContact O-CE2 3.43Å; P295-Y312 HydrophobicContact CB-CG 4.35Å; P295-Y320 HydrophobicContact CB-CD1 3.89Å; P295-Y320 HydrophobicContact CB-CE1 4.27Å; P295-Y320 HydrophobicContact CB-CG 4.23Å; P295-Y320 HydrophobicContact CG-CD1 4.36Å; P295-Y320 HydrophobicContact CG-CE1 4.43Å; P295-Y320 HydrophobicContact CG-CG 4.48Å; P295-V339 HydrophobicContact CG-CG2 4.48Å
296D87.6Confident79.2Confident29 Ų2964.3 Ų64.316%0.15532%0.315CS..THydrogen-bonded Turntrans-70.7-30.3178.159.6-50.4000114.3R288 T294 P310 Y312 W314 Y320R288-D296 IonicContact CZ-OD2 2.61Å; R288-D296 IonicContact NE-OD2 3.39Å; R288-D296 IonicContact NH2-OD2 3.75Å; R288-D296 PolarHBondContact NH2-OD2 3.11Å; T294-D296 WeakPolarHBondContact CB-OD1 3.44Å; T294-D296 PolarHBondContact O-N 3.09Å; T294-D296 PolarHBondContact OG1-OD1 3.31Å; D296-P310 WeakPolarHBondContact O-CB 3.49Å; D296-Y312 WeakPolarHBondContact CA-O 3.33Å; D296-Y312 WeakPolarHBondContact CB-O 3.41Å; D296-W314 HydrophobicContact CB-CB 3.97Å; D296-Y320 HydrophobicContact CB-CD1 4.2Å; D296-Y320 HydrophobicContact CB-CE1 3.92Å
297C85.1Confident77.6Confident58 Ų5870 Ų7039%0.39234%0.344SS..THydrogen-bonded Turntrans-94-14178.6-65.10000111.9P292 T294P292-C297 WeakPolarHBondContact O-CB 3.42Å; T294-C297 PolarHBondContact O-N 3.44Å
298W82Confident76.4Confident13 Ų1369.7 Ų69.75%0.04935%0.348CS..SBendtrans-77.5128.2-170.9-165.8-91000112.9I37 D41 L42 E45 F293 T294 F300 P310I37-W298 HydrophobicContact CD1-CB 3.83Å; I37-W298 HydrophobicContact CD1-CD2 3.75Å; I37-W298 HydrophobicContact CD1-CE3 4Å; I37-W298 HydrophobicContact CD1-CG 3.64Å; I37-W298 HydrophobicContact CG1-CB 4.39Å; I37-W298 HydrophobicContact CG1-CD2 4.15Å; I37-W298 HydrophobicContact CG1-CG 3.89Å; I37-W298 HydrophobicContact CG2-CD2 3.9Å; I37-W298 HydrophobicContact CG2-CE3 4.38Å; I37-W298 HydrophobicContact CG2-CG 4.4Å; I37-W298 HydrophobicContact CG2-CH2 4.19Å; I37-W298 HydrophobicContact CG2-CZ2 3.76Å; I37-W298 HydrophobicContact CG2-CZ3 4.49Å; D41-W298 HydrophobicContact CB-CH2 4.34Å; D41-W298 HydrophobicContact CB-CZ2 3.71Å; D41-W298 WeakPolarHBondContact O-CH2 3.27Å; L42-W298 HydrophobicContact CD2-CE3 4.41Å; L42-W298 HydrophobicContact CD2-CH2 4.2Å; L42-W298 HydrophobicContact CD2-CZ3 3.85Å; E45-W298 HydrophobicContact CB-CH2 3.68Å; E45-W298 HydrophobicContact CB-CZ3 3.98Å; E45-W298 HydrophobicContact CG-CH2 3.98Å; E45-W298 HydrophobicContact CG-CZ3 3.94Å; F293-W298 HydrophobicContact CB-CZ3 4.49Å; F293-W298 HydrophobicContact CD1-CZ3 4.21Å; T294-W298 PolarHBondContact O-N 3.07Å; T294-W298 VanDerWaalsContact O-N 3.08Å; W298-F300 HydrophobicContact CB-CD2 4.29Å; W298-F300 HydrophobicContact CB-CE2 3.66Å; W298-F300 HydrophobicContact CB-CZ 4.06Å; W298-F300 AromaticContact CD1-CE1 3.87Å; W298-F300 AromaticContact CD1-CE2 3.82Å; W298-F300 AromaticContact CD1-CZ 3.75Å; W298-F300 HydrophobicContact CG-CE2 4.09Å; W298-F300 HydrophobicContact CG-CZ 4.15Å; W298-F300 WeakPolarHBondContact O-CD2 3.05Å; W298-F300 PolarHBondContact O-N 3.14Å; W298-P310 WeakPolarHBondContact O-CA 3.44Å
299P75.5Confident75.1Confident56 Ų5671.7 Ų71.736%0.36436%0.358SS..EExtended strand (participates in β ladder)trans-77.4105.9177.330.7-32.4000110.7
300F67.7Low74Confident22 Ų2267.9 Ų67.910%0.09635%0.354CS..EExtended strand (participates in β ladder)trans-90.5141.3175.6-69.1-85.8000111.6I37 P295 W298 S302 S308 K309 C311 Y312I37-F300 HydrophobicContact CD1-CZ 4.31Å; I37-F300 HydrophobicContact CG1-CE1 3.94Å; I37-F300 HydrophobicContact CG1-CZ 3.61Å; P295-F300 WeakPolarHBondContact O-CE2 3.43Å; W298-F300 HydrophobicContact CB-CD2 4.29Å; W298-F300 HydrophobicContact CB-CE2 3.66Å; W298-F300 HydrophobicContact CB-CZ 4.06Å; W298-F300 AromaticContact CD1-CE1 3.87Å; W298-F300 AromaticContact CD1-CE2 3.82Å; W298-F300 AromaticContact CD1-CZ 3.75Å; W298-F300 HydrophobicContact CG-CE2 4.09Å; W298-F300 HydrophobicContact CG-CZ 4.15Å; W298-F300 WeakPolarHBondContact O-CD2 3.05Å; W298-F300 PolarHBondContact O-N 3.14Å; F300-S302 PolarHBondContact O-N 3.44Å; F300-S308 CarbonylContact O-C 3.59Å; F300-S308 VanDerWaalsContact O-CA 3.22Å; F300-S308 WeakPolarHBondContact O-CA 3.34Å; F300-S308 WeakPolarHBondContact O-CB 3.35Å; F300-K309 PolarHBondContact N-O 3Å; F300-K309 PolarHBondContact O-N 3.21Å; F300-C311 HydrophobicContact CB-CB 4.34Å; F300-C311 HydrophobicContact CD2-CB 4.45Å; F300-Y312 HydrophobicContact CD1-CE2 4.2Å; F300-Y312 AromaticContact CD2-CD2 3.58Å; F300-Y312 HydrophobicContact CD2-CD2 3.58Å; F300-Y312 AromaticContact CD2-CE2 3.72Å; F300-Y312 HydrophobicContact CD2-CE2 3.72Å; F300-Y312 AromaticContact CE1-CE2 3.96Å; F300-Y312 HydrophobicContact CE1-CE2 3.96Å; F300-Y312 AromaticContact CE2-CD2 3.25Å; F300-Y312 HydrophobicContact CE2-CD2 3.25Å; F300-Y312 AromaticContact CE2-CE2 3.44Å; F300-Y312 HydrophobicContact CE2-CE2 3.44Å; F300-Y312 VanDerWaalsContact CE2-CE2 3.44Å; F300-Y312 HydrophobicContact CE2-CG 4.41Å; F300-Y312 HydrophobicContact CG-CD2 4.38Å; F300-Y312 HydrophobicContact CG-CE2 4.08Å; F300-Y312 AromaticContact CZ-CD2 3.82Å; F300-Y312 HydrophobicContact CZ-CD2 3.82Å; F300-Y312 AromaticContact CZ-CE2 3.57Å; F300-Y312 HydrophobicContact CZ-CE2 3.57Å
301P64.1Low73.4Confident78 Ų7869.2 Ų69.251%0.50636%0.363SS..EExtended strand (participates in β ladder)trans-65.1130.9171.625-30.3000110.1
302S60.8Low73.1Confident37 Ų3764.4 Ų64.426%0.25934%0.342SS..EExtended strand (participates in β ladder)trans-110.1140.8175.8174.30000109.9F300 H304 S305F300-S302 PolarHBondContact O-N 3.44Å; S302-H304 PolarHBondContact O-N 2.73Å; S302-H304 PolarHBondContact OG-N 3.06Å; S302-S305 PolarHBondContact O-N 3.27Å
303R58.8Low73.1Confident190 Ų19063.9 Ų63.972%0.71734%0.338SS*.THydrogen-bonded Turntrans-57.7-23.7176.4-72.5-174.8179.5166.92.3113.3
304H59.8Low73.2Confident177 Ų17768.3 Ų68.382%0.81935%0.354SS*.THydrogen-bonded Turntrans-106.93.1-174.3-57-60000113.8S302S302-H304 PolarHBondContact O-N 2.73Å; S302-H304 PolarHBondContact OG-N 3.06Å
305S57.5Low73.3Confident35 Ų3572.9 Ų72.925%0.24537%0.374CS..EExtended strand (participates in β ladder)trans-140.4125.7-178.2-178.60000110.4S302 I307S302-S305 PolarHBondContact O-N 3.27Å; S305-I307 WeakPolarHBondContact CB-O 3.42Å; S305-I307 PolarHBondContact O-N 3.4Å; S305-I307 PolarHBondContact OG-N 2.99Å; S305-I307 PolarHBondContact OG-O 3.34Å
306I62.4Low73.4Confident171 Ų17180.3 Ų80.388%0.87741%0.409SS*.EExtended strand (participates in β ladder)trans-62.9-28.6171.3-58.8166.8000110.2
307I60.1Low73.6Confident121 Ų12184.8 Ų84.862%0.62143%0.429SS*.EExtended strand (participates in β ladder)trans-91.8119.4178.8-55.2171.5000108.3S305S305-I307 WeakPolarHBondContact CB-O 3.42Å; S305-I307 PolarHBondContact O-N 3.4Å; S305-I307 PolarHBondContact OG-N 2.99Å; S305-I307 PolarHBondContact OG-O 3.34Å
308S68.2Low74.1Confident44 Ų4483.4 Ų83.431%0.30842%0.417SS..EExtended strand (participates in β ladder)trans-60.8133.7171.1-57.90000110.3F300F300-S308 CarbonylContact O-C 3.59Å; F300-S308 VanDerWaalsContact O-CA 3.22Å; F300-S308 WeakPolarHBondContact O-CA 3.34Å; F300-S308 WeakPolarHBondContact O-CB 3.35Å
309K63.8Low74.6Confident119 Ų11983.2 Ų83.252%0.51742%0.418SS..EExtended strand (participates in β ladder)trans-131.5150.7-178.4-70.4-178.9-176.8178.40110F300 C311F300-K309 PolarHBondContact N-O 3Å; F300-K309 PolarHBondContact O-N 3.21Å; K309-C311 PolarHBondContact O-N 3.01Å; K309-C311 PolarHBondContact O-SG 3.24Å
310P68.4Low75.5Confident79 Ų7980.6 Ų80.651%0.51340%0.4SS..EExtended strand (participates in β ladder)trans-59.9120.9168.522.4-29.1000110D296 W298D296-P310 WeakPolarHBondContact O-CB 3.49Å; W298-P310 WeakPolarHBondContact O-CA 3.44Å
311C77.2Confident76.7Confident27 Ų2780.3 Ų80.318%0.18240%0.4CS..  trans-107.4-5.8-175.6-66.60000113F300 K309 P313 N322F300-C311 HydrophobicContact CB-CB 4.34Å; F300-C311 HydrophobicContact CD2-CB 4.45Å; K309-C311 PolarHBondContact O-N 3.01Å; K309-C311 PolarHBondContact O-SG 3.24Å; C311-P313 VanDerWaalsContact O-CD 3.25Å; C311-P313 WeakPolarHBondContact O-CD 3.34Å; C311-N322 WeakPolarHBondContact O-CA 3.43Å
312Y84.3Confident77.8Confident4 Ų477.2 Ų77.22%0.01638%0.379CS..  trans-113.786.3-173.8-71.4-95.3000111.3N36 P295 D296 F300 W314 N322 V339 V340 G341N36-Y312 PolarHBondContact ND2-OH 2.86Å; P295-Y312 HydrophobicContact CB-CG 4.35Å; D296-Y312 WeakPolarHBondContact CA-O 3.33Å; D296-Y312 WeakPolarHBondContact CB-O 3.41Å; F300-Y312 HydrophobicContact CD1-CE2 4.2Å; F300-Y312 AromaticContact CD2-CD2 3.58Å; F300-Y312 HydrophobicContact CD2-CD2 3.58Å; F300-Y312 AromaticContact CD2-CE2 3.72Å; F300-Y312 HydrophobicContact CD2-CE2 3.72Å; F300-Y312 AromaticContact CE1-CE2 3.96Å; F300-Y312 HydrophobicContact CE1-CE2 3.96Å; F300-Y312 AromaticContact CE2-CD2 3.25Å; F300-Y312 HydrophobicContact CE2-CD2 3.25Å; F300-Y312 AromaticContact CE2-CE2 3.44Å; F300-Y312 HydrophobicContact CE2-CE2 3.44Å; F300-Y312 VanDerWaalsContact CE2-CE2 3.44Å; F300-Y312 HydrophobicContact CE2-CG 4.41Å; F300-Y312 HydrophobicContact CG-CD2 4.38Å; F300-Y312 HydrophobicContact CG-CE2 4.08Å; F300-Y312 AromaticContact CZ-CD2 3.82Å; F300-Y312 HydrophobicContact CZ-CD2 3.82Å; F300-Y312 AromaticContact CZ-CE2 3.57Å; F300-Y312 HydrophobicContact CZ-CE2 3.57Å; Y312-W314 PolarHBondContact O-N 2.95Å; Y312-N322 HydrophobicContact CD1-CB 4.17Å; Y312-N322 HydrophobicContact CE1-CB 3.82Å; Y312-N322 HydrophobicContact CE2-CB 4.4Å; Y312-V339 HydrophobicContact CD1-CG1 4.17Å; Y312-V339 HydrophobicContact CE1-CG1 3.71Å; Y312-V340 WeakPolarHBondContact CE1-O 3.4Å; Y312-G341 WeakPolarHBondContact OH-CA 3.3Å
313P86.6Confident78.7Confident52 Ų5280.9 Ų80.934%0.33840%0.396SS..  trans-53.3130.5168.521.7-35.9000111.9C311 L321C311-P313 VanDerWaalsContact O-CD 3.25Å; C311-P313 WeakPolarHBondContact O-CD 3.34Å; P313-L321 WeakPolarHBondContact CD-O 3.37Å; P313-L321 WeakPolarHBondContact CG-O 3.39Å
314W89.4Confident79.9Confident122 Ų12274.4 Ų74.446%0.46238%0.377SS..EExtended strand (participates in β ladder)trans-78127.1173.517879.9000110.7D296 Y312 N318 Y320D296-W314 HydrophobicContact CB-CB 3.97Å; Y312-W314 PolarHBondContact O-N 2.95Å; W314-N318 PolarHBondContact NE1-OD1 2.93Å; W314-Y320 HydrophobicContact CB-CE1 4.25Å; W314-Y320 AromaticContact CD1-CE1 3.63Å; W314-Y320 AromaticContact CD1-CZ 3.63Å; W314-Y320 HydrophobicContact CG-CE1 4.35Å
315K91.3Very high81.1Confident96 Ų9672 Ų7242%0.41737%0.371SS..EExtended strand (participates in β ladder)trans-116.2169.1174.9-63.4-179.6-179.1176.30110.7N318 V319 L321K315-N318 PolarHBondContact O-N 2.97Å; K315-V319 HydrophobicContact CB-CB 4.29Å; K315-V319 WeakPolarHBondContact CB-O 3.46Å; K315-V319 PolarHBondContact N-O 3.3Å; K315-V319 PolarHBondContact O-N 2.77Å; K315-L321 HydrophobicContact CD-CD1 4.17Å
316Q90.3Very high82.7Confident156 Ų15672.3 Ų72.373%0.72937%0.369SS*.THydrogen-bonded Turntrans-52.1148.3176-71.3-177.3-11.100111.6N318Q316-N318 VanDerWaalsContact C-N 3.28Å; Q316-N318 PolarHBondContact O-N 2.83Å
317H93.2Very high84.1Confident124 Ų12467.3 Ų67.357%0.57435%0.349SS*.THydrogen-bonded Turntrans63.625.7-175.3-47.295.8000114.7V319 A335 K336 N337H317-V319 PolarHBondContact O-N 3.47Å; H317-A335 VanDerWaalsContact CB-O 3.26Å; H317-A335 WeakPolarHBondContact CB-O 3.19Å; H317-K336 HydrophobicContact CB-CB 4.35Å; H317-K336 HydrophobicContact CB-CG 4.31Å; H317-K336 CarbonylContact O-C 3.57Å; H317-K336 WeakPolarHBondContact O-CA 3.35Å; H317-N337 PolarHBondContact O-N 3.46Å
318N93.7Very high85.7Confident28 Ų2864.5 Ų64.515%0.1534%0.335CS..THydrogen-bonded Turntrans56.548.7179.9-58.5-30.1000112.4I286 W314 K315 Q316 Y320 N337 V338I286-N318 HydrophobicContact CG2-CB 4.29Å; W314-N318 PolarHBondContact NE1-OD1 2.93Å; K315-N318 PolarHBondContact O-N 2.97Å; Q316-N318 VanDerWaalsContact C-N 3.28Å; Q316-N318 PolarHBondContact O-N 2.83Å; N318-Y320 HydrophobicContact CB-CE2 4.07Å; N318-Y320 WeakPolarHBondContact O-CD2 3.23Å; N318-Y320 WeakPolarHBondContact O-CE2 3.37Å; N318-N337 WeakPolarHBondContact CB-OD1 3.18Å; N318-N337 PolarHBondContact ND2-OD1 3.34Å; N318-N337 VanDerWaalsContact O-CA 3.29Å; N318-N337 WeakPolarHBondContact O-CA 3.49Å; N318-V338 PolarHBondContact O-N 3.04Å; N318-V338 VanDerWaalsContact O-N 3.1Å
319V94.1Very high87Confident10 Ų1063.6 Ų63.66%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-97.6123.1174178.40000108.6K315 H317 L321 L334 V338K315-V319 HydrophobicContact CB-CB 4.29Å; K315-V319 WeakPolarHBondContact CB-O 3.46Å; K315-V319 PolarHBondContact N-O 3.3Å; K315-V319 PolarHBondContact O-N 2.77Å; H317-V319 PolarHBondContact O-N 3.47Å; V319-L321 HydrophobicContact CG1-CD1 4.26Å; V319-L321 HydrophobicContact CG1-CD2 4.19Å; V319-L321 HydrophobicContact CG1-CG 3.96Å; V319-L334 HydrophobicContact CG1-CB 4.34Å; V319-L334 HydrophobicContact CG1-CD1 4.09Å; V319-L334 HydrophobicContact CG2-CB 4.47Å; V319-V338 CarbonylContact C-O 3.56Å; V319-V338 WeakPolarHBondContact CA-O 3.36Å
320Y94.3Very high88.3Confident0 Ų068.5 Ų68.50%035%0.351CS..EExtended strand (participates in β ladder)trans-115.9118.7-179.4-58.2-91.9000108.2I286 R288 P295 D296 W314 N318 V338 V339 V340I286-Y320 HydrophobicContact CB-CE2 4.46Å; I286-Y320 HydrophobicContact CG2-CD2 4.16Å; I286-Y320 HydrophobicContact CG2-CE2 3.72Å; I286-Y320 WeakPolarHBondContact O-CE2 3.46Å; I286-Y320 PolarHBondContact O-OH 3.46Å; R288-Y320 VanDerWaalsContact CG-OH 3.27Å; R288-Y320 WeakPolarHBondContact CG-OH 3.39Å; P295-Y320 HydrophobicContact CB-CD1 3.89Å; P295-Y320 HydrophobicContact CB-CE1 4.27Å; P295-Y320 HydrophobicContact CB-CG 4.23Å; P295-Y320 HydrophobicContact CG-CD1 4.36Å; P295-Y320 HydrophobicContact CG-CE1 4.43Å; P295-Y320 HydrophobicContact CG-CG 4.48Å; D296-Y320 HydrophobicContact CB-CD1 4.2Å; D296-Y320 HydrophobicContact CB-CE1 3.92Å; W314-Y320 HydrophobicContact CB-CE1 4.25Å; W314-Y320 AromaticContact CD1-CE1 3.63Å; W314-Y320 AromaticContact CD1-CZ 3.63Å; W314-Y320 HydrophobicContact CG-CE1 4.35Å; N318-Y320 HydrophobicContact CB-CE2 4.07Å; N318-Y320 WeakPolarHBondContact O-CD2 3.23Å; N318-Y320 WeakPolarHBondContact O-CE2 3.37Å; Y320-V338 PolarHBondContact N-O 3.14Å; Y320-V339 HydrophobicContact CD2-CG2 3.77Å; Y320-V339 HydrophobicContact CG-CG2 4.25Å; Y320-V339 WeakPolarHBondContact O-CA 3.32Å; Y320-V340 PolarHBondContact O-N 2.91Å
321L91.6Very high89.6Confident17 Ų1767 Ų679%0.08934%0.343CS..EExtended strand (participates in β ladder)trans-124.3126-177.5-64.2175.2000109.3P313 K315 V319 D323 I328 L334 V340P313-L321 WeakPolarHBondContact CD-O 3.37Å; P313-L321 WeakPolarHBondContact CG-O 3.39Å; K315-L321 HydrophobicContact CD-CD1 4.17Å; V319-L321 HydrophobicContact CG1-CD1 4.26Å; V319-L321 HydrophobicContact CG1-CD2 4.19Å; V319-L321 HydrophobicContact CG1-CG 3.96Å; L321-D323 PolarHBondContact O-N 3.37Å; L321-I328 HydrophobicContact CD1-CD1 4.25Å; L321-I328 HydrophobicContact CD2-CD1 3.96Å; L321-L334 HydrophobicContact CD1-CD1 4.39Å; L321-L334 HydrophobicContact CD2-CD1 3.76Å; L321-V340 HydrophobicContact CD2-CB 3.66Å; L321-V340 HydrophobicContact CD2-CG2 3.51Å
322N87.9Confident90.4Very high12 Ų1266.5 Ų66.56%0.06434%0.341CS..  trans-79.1111.7171.9-169.3-27.2000110.2C311 Y312 T324 I326 V340C311-N322 WeakPolarHBondContact O-CA 3.43Å; Y312-N322 HydrophobicContact CD1-CB 4.17Å; Y312-N322 HydrophobicContact CE1-CB 3.82Å; Y312-N322 HydrophobicContact CE2-CB 4.4Å; N322-T324 VanDerWaalsContact CG-OG1 3.3Å; N322-T324 PolarHBondContact O-N 2.82Å; N322-T324 PolarHBondContact OD1-N 3.43Å; N322-T324 PolarHBondContact OD1-OG1 3.49Å; N322-I326 HydrophobicContact CB-CD1 4.25Å; N322-I326 WeakPolarHBondContact O-CD1 3.46Å; N322-I326 WeakPolarHBondContact O-CG1 3.34Å; N322-V340 PolarHBondContact N-O 3.36Å
323D80.3Confident90.9Very high115 Ų11570 Ų7062%0.61536%0.363SS*.  trans-66.4-1.6-173.3-69-32.4000114.7L321 D325L321-D323 PolarHBondContact O-N 3.37Å; D323-D325 PolarHBondContact O-N 3.38Å
324T84.3Confident91.3Very high53 Ų5369.3 Ų69.333%0.32536%0.356SS..SBendtrans-79.1104.5176.747.20000113.1N322 I326 A342 R343N322-T324 VanDerWaalsContact CG-OG1 3.3Å; N322-T324 PolarHBondContact O-N 2.82Å; N322-T324 PolarHBondContact OD1-N 3.43Å; N322-T324 PolarHBondContact OD1-OG1 3.49Å; T324-I326 VanDerWaalsContact C-N 3.27Å; T324-I326 PolarHBondContact O-N 3.48Å; T324-A342 WeakPolarHBondContact OG1-CB 3.42Å; T324-R343 PolarHBondContact O-N 3.11Å
325D84.7Confident91.4Very high127 Ų12765.1 Ų65.168%0.67935%0.347SS*.SBendtrans57.529.5168.7-58.2-35.6000115.3D323 R343D323-D325 PolarHBondContact O-N 3.38Å; D325-R343 HydrophobicContact CB-CG 3.87Å
326I90.4Very high91.5Very high41 Ų4164.6 Ų64.621%0.2135%0.345CS..  trans-79.4134174.2-68.8-175.8000110.7N322 T324 I328 V340 G341 C344N322-I326 HydrophobicContact CB-CD1 4.25Å; N322-I326 WeakPolarHBondContact O-CD1 3.46Å; N322-I326 WeakPolarHBondContact O-CG1 3.34Å; T324-I326 VanDerWaalsContact C-N 3.27Å; T324-I326 PolarHBondContact O-N 3.48Å; I326-I328 HydrophobicContact CG2-CD1 3.51Å; I326-I328 HydrophobicContact CG2-CG1 3.5Å; I326-V340 HydrophobicContact CD1-CB 4.19Å; I326-V340 HydrophobicContact CD1-CG1 3.84Å; I326-G341 WeakPolarHBondContact CD1-O 3.46Å; I326-G341 WeakPolarHBondContact CG1-O 3.46Å; I326-C344 WeakPolarHBondContact CA-O 3.4Å
327S92.9Very high91.7Very high67 Ų6757.1 Ų57.147%0.46931%0.31SS..EExtended strand (participates in β ladder)trans-117.9102.5169.871.30000111.1C344 T345 I346S327-C344 PolarHBondContact N-O 3.42Å; S327-T345 WeakPolarHBondContact O-CA 3.32Å; S327-T345 WeakPolarHBondContact OG-CB 3.43Å; S327-T345 VanDerWaalsContact OG-CG2 3.24Å; S327-T345 WeakPolarHBondContact OG-CG2 3.43Å; S327-I346 PolarHBondContact O-N 2.93Å
328I93.2Very high91.9Very high61 Ų6151.2 Ų51.231%0.31328%0.283SS..EExtended strand (participates in β ladder)trans-105.3124.5176.6-64.7157.4000109.1L321 I326 A332 L334 I346L321-I328 HydrophobicContact CD1-CD1 4.25Å; L321-I328 HydrophobicContact CD2-CD1 3.96Å; I326-I328 HydrophobicContact CG2-CD1 3.51Å; I326-I328 HydrophobicContact CG2-CG1 3.5Å; I328-A332 HydrophobicContact CG2-CB 3.82Å; I328-L334 HydrophobicContact CD1-CD1 4.08Å; I328-I346 HydrophobicContact CG1-CB 4.28Å; I328-I346 HydrophobicContact CG1-CD1 4.13Å; I328-I346 HydrophobicContact CG1-CG1 4.29Å
329A94.1Very high92Very high26 Ų2649.9 Ų49.922%0.21528%0.276CS..  trans-62.7143.7174.700000111.5S331 A332 I346A329-S331 PolarHBondContact O-N 2.85Å; A329-S331 VanDerWaalsContact O-N 3.14Å; A329-A332 HydrophobicContact CB-CB 4.46Å; A329-A332 VanDerWaalsContact O-CB 3.26Å; A329-A332 WeakPolarHBondContact O-CB 3.46Å; A329-A332 PolarHBondContact O-N 2.92Å; A329-I346 WeakPolarHBondContact CB-O 3.48Å; A329-I346 PolarHBondContact N-O 3.31Å
330K92.4Very high92Very high221 Ų22149.4 Ų49.496%0.96127%0.273SS*.THydrogen-bonded Turntrans-60.7-26.7-177-70-178.6-179.9176.80114.2
331S95Very high92Very high48 Ų4849.4 Ų49.434%0.33627%0.273SS..THydrogen-bonded Turntrans-90.8-2.8177.459.90000113.7A329 S348 N349A329-S331 PolarHBondContact O-N 2.85Å; A329-S331 VanDerWaalsContact O-N 3.14Å; S331-S348 WeakPolarHBondContact OG-CA 3.22Å; S331-S348 WeakPolarHBondContact OG-CB 3.17Å; S331-N349 VanDerWaalsContact CB-OD1 3.28Å; S331-N349 WeakPolarHBondContact CB-OD1 3.17Å; S331-N349 PolarHBondContact OG-N 3.36Å; S331-N349 PolarHBondContact OG-OD1 2.87Å; S331-N349 VanDerWaalsContact OG-OD1 3.07Å
332A94.5Very high91.9Very high16 Ų1648.8 Ų48.813%0.13227%0.27CS..  trans-71.1138.9173.600000110.3I328 A329 I346 G347 T350I328-A332 HydrophobicContact CG2-CB 3.82Å; A329-A332 HydrophobicContact CB-CB 4.46Å; A329-A332 VanDerWaalsContact O-CB 3.26Å; A329-A332 WeakPolarHBondContact O-CB 3.46Å; A329-A332 PolarHBondContact O-N 2.92Å; A332-I346 HydrophobicContact CB-CG2 3.9Å; A332-G347 WeakPolarHBondContact CB-O 3.43Å; A332-T350 CarbonylContact C-O 3.56Å; A332-T350 WeakPolarHBondContact CA-O 3.39Å
333V94.7Very high92.1Very high79 Ų7951 Ų5148%0.47928%0.277SS..EExtended strand (participates in β ladder)trans-117109.2-176.8-1780000109.7T350 K351 V352V333-T350 PolarHBondContact N-O 2.94Å; V333-K351 WeakPolarHBondContact O-CA 3.41Å; V333-V352 PolarHBondContact O-N 3.37Å
334L94.6Very high92.8Very high37 Ų3745.5 Ų45.519%0.19425%0.248CC..EExtended strand (participates in β ladder)trans-93.5102.5169.8-50.5-177.9000107.7V319 L321 I328 V338 I346 V352V319-L334 HydrophobicContact CG1-CB 4.34Å; V319-L334 HydrophobicContact CG1-CD1 4.09Å; V319-L334 HydrophobicContact CG2-CB 4.47Å; L321-L334 HydrophobicContact CD1-CD1 4.39Å; L321-L334 HydrophobicContact CD2-CD1 3.76Å; I328-L334 HydrophobicContact CD1-CD1 4.08Å; L334-V338 HydrophobicContact CD2-CG1 4.33Å; L334-I346 HydrophobicContact CD2-CD1 4.04Å; L334-V352 HydrophobicContact CD2-CB 3.94Å; L334-V352 HydrophobicContact CD2-CG2 3.94Å
335A91.7Very high93.4Very high34 Ų3445.8 Ų45.828%0.28125%0.25SC..  trans-82.7-64.3-164.900000113.3H317 V352 V353H317-A335 VanDerWaalsContact CB-O 3.26Å; H317-A335 WeakPolarHBondContact CB-O 3.19Å; A335-V352 PolarHBondContact N-O 3.25Å; A335-V353 HydrophobicContact CB-CG2 3.83Å
336K94.3Very high94Very high84 Ų8440 Ų4037%0.36522%0.219SC..SBendtrans-152.6145.1-177.7-171.2-163.4169.5-151.20109.7E287 H317 V338 D354E287-K336 IonicContact OE1-NZ 3.4Å; E287-K336 PolarHBondContact OE1-NZ 3.28Å; H317-K336 HydrophobicContact CB-CB 4.35Å; H317-K336 HydrophobicContact CB-CG 4.31Å; H317-K336 CarbonylContact O-C 3.57Å; H317-K336 WeakPolarHBondContact O-CA 3.35Å; K336-V338 WeakPolarHBondContact O-CG2 3.39Å; K336-D354 PolarHBondContact O-N 3.15Å
337N94.3Very high94.2Very high0 Ų038.6 Ų38.60%021%0.214CC..SBendtrans53.858.5172.1-62.1-26.9000111.3I286 E287 H317 N318 D354 S355I286-N337 VanDerWaalsContact CG2-CA 3.45Å; I286-N337 HydrophobicContact CG2-CB 3.62Å; E287-N337 WeakPolarHBondContact CG-OD1 3.23Å; E287-N337 PolarHBondContact OE1-ND2 3.08Å; H317-N337 PolarHBondContact O-N 3.46Å; N318-N337 WeakPolarHBondContact CB-OD1 3.18Å; N318-N337 PolarHBondContact ND2-OD1 3.34Å; N318-N337 VanDerWaalsContact O-CA 3.29Å; N318-N337 WeakPolarHBondContact O-CA 3.49Å; N337-D354 VanDerWaalsContact CB-OD1 3.22Å; N337-D354 WeakPolarHBondContact CB-OD1 3.39Å; N337-D354 PolarHBondContact ND2-OD1 2.85Å; N337-D354 CarbonylContact O-C 3.49Å; N337-D354 VanDerWaalsContact O-CA 3.24Å; N337-D354 WeakPolarHBondContact O-CA 3.44Å; N337-D354 PolarHBondContact O-N 2.88Å; N337-S355 PolarHBondContact O-N 3.49Å; N337-S355 VanDerWaalsContact O-N 3.16Å
338V96.3Very high94.4Very high0 Ų037.7 Ų37.70%021%0.208CC..EExtended strand (participates in β ladder)trans-118132.4-177.3-177.40000109.6N318 V319 Y320 L334 K336 V340 V352 S355N318-V338 PolarHBondContact O-N 3.04Å; N318-V338 VanDerWaalsContact O-N 3.1Å; V319-V338 CarbonylContact C-O 3.56Å; V319-V338 WeakPolarHBondContact CA-O 3.36Å; Y320-V338 PolarHBondContact N-O 3.14Å; L334-V338 HydrophobicContact CD2-CG1 4.33Å; K336-V338 WeakPolarHBondContact O-CG2 3.39Å; V338-V340 HydrophobicContact CG1-CG2 3.85Å; V338-V352 HydrophobicContact CB-CG1 4.46Å; V338-V352 HydrophobicContact CG1-CB 4.28Å; V338-V352 HydrophobicContact CG1-CG1 3.66Å; V338-V352 HydrophobicContact CG2-CB 4.23Å; V338-V352 HydrophobicContact CG2-CG1 3.91Å; V338-V352 WeakPolarHBondContact CG2-O 3.34Å; V338-S355 WeakPolarHBondContact CA-O 3.36Å
339V95.5Very high94.5Very high0 Ų039.5 Ų39.50%022%0.218CC..EExtended strand (participates in β ladder)trans-117.7126.5171.7-177.40000108.3A35 I286 P295 Y312 Y320 S355 T356 I357A35-V339 HydrophobicContact CB-CG2 4.43Å; I286-V339 HydrophobicContact CD1-CG2 3.92Å; I286-V339 HydrophobicContact CG1-CG2 3.7Å; I286-V339 HydrophobicContact CG2-CG2 4.34Å; P295-V339 HydrophobicContact CG-CG2 4.48Å; Y312-V339 HydrophobicContact CD1-CG1 4.17Å; Y312-V339 HydrophobicContact CE1-CG1 3.71Å; Y320-V339 HydrophobicContact CD2-CG2 3.77Å; Y320-V339 HydrophobicContact CG-CG2 4.25Å; Y320-V339 WeakPolarHBondContact O-CA 3.32Å; V339-S355 PolarHBondContact N-O 2.99Å; V339-S355 VanDerWaalsContact N-O 3.14Å; V339-T356 HydrophobicContact CB-CG2 4.15Å; V339-T356 HydrophobicContact CG1-CG2 4.44Å; V339-I357 PolarHBondContact O-N 2.97Å
340V95.3Very high94.6Very high0 Ų038.2 Ų38.20%021%0.208CC..EExtended strand (participates in β ladder)trans-122.9117.9178.1-169.80000110.6Y312 Y320 L321 N322 I326 V338 C344 I346 I357Y312-V340 WeakPolarHBondContact CE1-O 3.4Å; Y320-V340 PolarHBondContact O-N 2.91Å; L321-V340 HydrophobicContact CD2-CB 3.66Å; L321-V340 HydrophobicContact CD2-CG2 3.51Å; N322-V340 PolarHBondContact N-O 3.36Å; I326-V340 HydrophobicContact CD1-CB 4.19Å; I326-V340 HydrophobicContact CD1-CG1 3.84Å; V338-V340 HydrophobicContact CG1-CG2 3.85Å; V340-C344 HydrophobicContact CG1-CB 3.68Å; V340-I346 HydrophobicContact CG1-CD1 4.24Å; V340-I346 HydrophobicContact CG2-CD1 4.17Å; V340-I357 HydrophobicContact CG2-CD1 4.22Å
341G93Very high94.9Very high0 Ų033.3 Ų33.30%019%0.186CC..  trans-66.3176.4176.900000115Y312 I326 C344 I357 D359Y312-G341 WeakPolarHBondContact OH-CA 3.3Å; I326-G341 WeakPolarHBondContact CD1-O 3.46Å; I326-G341 WeakPolarHBondContact CG1-O 3.46Å; G341-C344 PolarHBondContact O-SG 3.31Å; G341-C344 VanDerWaalsContact O-SG 3.35Å; G341-I357 PolarHBondContact N-O 3.09Å; G341-D359 WeakPolarHBondContact CA-OD1 3.48Å
342A90.6Very high95Very high3 Ų331 Ų313%0.02517%0.17CC..THydrogen-bonded Turntrans-69.3150.9179.900000111.9T324 C344 D359 D360T324-A342 WeakPolarHBondContact OG1-CB 3.42Å; A342-C344 PolarHBondContact O-N 3.31Å; A342-C344 PolarHBondContact O-SG 3.42Å; A342-D359 PolarHBondContact N-OD1 3.43Å; A342-D359 WeakPolarHBondContact O-CA 3.47Å; A342-D360 PolarHBondContact O-N 2.91Å
343R92.4Very high95Very high59 Ų5932 Ų3222%0.22318%0.175CC..THydrogen-bonded Turntrans58.630.3174.5-59.7176.8-58.2-68.1-7.4113.6T324 D325 D360T324-R343 PolarHBondContact O-N 3.11Å; D325-R343 HydrophobicContact CB-CG 3.87Å; R343-D360 WeakPolarHBondContact CB-OD1 3.45Å; R343-D360 WeakPolarHBondContact CD-OD1 3.43Å; R343-D360 IonicContact CZ-OD1 2.64Å; R343-D360 IonicContact CZ-OD2 2.65Å; R343-D360 IonicContact NE-OD1 3.61Å; R343-D360 PolarHBondContact NE-OD1 2.88Å; R343-D360 IonicContact NE-OD2 2.65Å; R343-D360 VanDerWaalsContact NH2-CG 3.33Å; R343-D360 IonicContact NH2-OD1 3.16Å; R343-D360 PolarHBondContact NH2-OD1 3.44Å; R343-D360 IonicContact NH2-OD2 3.87Å; R343-D360 PolarHBondContact NH2-OD2 2.99Å
344C95.2Very high95Very high0 Ų029.6 Ų29.60%016%0.159CC..  trans-92.1142.4-179.9-68.30000112.4I326 S327 V340 G341 A342 G358 C361I326-C344 WeakPolarHBondContact CA-O 3.4Å; S327-C344 PolarHBondContact N-O 3.42Å; V340-C344 HydrophobicContact CG1-CB 3.68Å; G341-C344 PolarHBondContact O-SG 3.31Å; G341-C344 VanDerWaalsContact O-SG 3.35Å; A342-C344 PolarHBondContact O-N 3.31Å; A342-C344 PolarHBondContact O-SG 3.42Å; C344-G358 PolarHBondContact SG-O 3.44Å; C344-C361 CarbonylContact C-O 3.57Å; C344-C361 WeakPolarHBondContact CA-O 3.27Å; C344-C361 PolarHBondContact SG-N 3.35Å
345T96.2Very high95.1Very high59 Ų5927.9 Ų27.936%0.36215%0.15SC..EExtended strand (participates in β ladder)trans-114.4128.8174.766.90000110.1S327 C361 S362 I363S327-T345 WeakPolarHBondContact O-CA 3.32Å; S327-T345 WeakPolarHBondContact OG-CB 3.43Å; S327-T345 VanDerWaalsContact OG-CG2 3.24Å; S327-T345 WeakPolarHBondContact OG-CG2 3.43Å; T345-C361 PolarHBondContact N-O 3.04Å; T345-S362 WeakPolarHBondContact OG1-CA 3.44Å; T345-S362 VanDerWaalsContact OG1-CB 3.31Å; T345-S362 WeakPolarHBondContact OG1-CB 3.45Å; T345-I363 PolarHBondContact O-N 2.89Å
346I96.5Very high95.4Very high5 Ų526.3 Ų26.33%0.02614%0.137CC..EExtended strand (participates in β ladder)trans-123.3117.3177.4-55.1-174.5000108.9S327 I328 A329 A332 L334 V340 T350 I357 I363S327-I346 PolarHBondContact O-N 2.93Å; I328-I346 HydrophobicContact CG1-CB 4.28Å; I328-I346 HydrophobicContact CG1-CD1 4.13Å; I328-I346 HydrophobicContact CG1-CG1 4.29Å; A329-I346 WeakPolarHBondContact CB-O 3.48Å; A329-I346 PolarHBondContact N-O 3.31Å; A332-I346 HydrophobicContact CB-CG2 3.9Å; L334-I346 HydrophobicContact CD2-CD1 4.04Å; V340-I346 HydrophobicContact CG1-CD1 4.24Å; V340-I346 HydrophobicContact CG2-CD1 4.17Å; I346-T350 HydrophobicContact CG2-CG2 3.95Å; I346-I357 HydrophobicContact CD1-CD1 4.2Å; I346-I363 HydrophobicContact CG1-CD1 4.44Å
347G95.7Very high95.5Very high11 Ų1122.3 Ų22.311%0.11312%0.119CC..  trans-67.3170.9-179.600000114.9A332 I363 G364 D365A332-G347 WeakPolarHBondContact CB-O 3.43Å; G347-I363 PolarHBondContact N-O 3.16Å; G347-G364 WeakPolarHBondContact CA-O 3.33Å; G347-D365 WeakPolarHBondContact CA-OD1 3.32Å
348S96.6Very high95.5Very high48 Ų4822.4 Ų22.434%0.33612%0.121SC..THydrogen-bonded Turntrans-67.1144.3-178.9-590000111.6S331 T350 D365 N366S331-S348 WeakPolarHBondContact OG-CA 3.22Å; S331-S348 WeakPolarHBondContact OG-CB 3.17Å; S348-T350 PolarHBondContact O-N 3.08Å; S348-T350 VanDerWaalsContact O-N 3.09Å; S348-D365 PolarHBondContact N-OD1 2.96Å; S348-D365 CarbonylContact O-C 3.46Å; S348-D365 WeakPolarHBondContact O-CA 3.28Å; S348-N366 PolarHBondContact O-N 3.01Å
349N95.9Very high95.3Very high99 Ų9924.8 Ų24.853%0.52913%0.134SC..THydrogen-bonded Turntrans5818.6178.7-47.6-33.9000114.6S331 N366S331-N349 VanDerWaalsContact CB-OD1 3.28Å; S331-N349 WeakPolarHBondContact CB-OD1 3.17Å; S331-N349 PolarHBondContact OG-N 3.36Å; S331-N349 PolarHBondContact OG-OD1 2.87Å; S331-N349 VanDerWaalsContact OG-OD1 3.07Å; N349-N366 VanDerWaalsContact CB-OD1 3.27Å; N349-N366 WeakPolarHBondContact CB-OD1 3.21Å; N349-N366 PolarHBondContact ND2-OD1 3.5Å
350T97.1Very high95.3Very high0 Ų027.6 Ų27.60%015%0.148CC..  trans-84.9134.3176.7-71.10000110.6A332 V333 I346 S348 V352 I363 G364 N366 C367 L369A332-T350 CarbonylContact C-O 3.56Å; A332-T350 WeakPolarHBondContact CA-O 3.39Å; V333-T350 PolarHBondContact N-O 2.94Å; I346-T350 HydrophobicContact CG2-CG2 3.95Å; S348-T350 PolarHBondContact O-N 3.08Å; S348-T350 VanDerWaalsContact O-N 3.09Å; T350-V352 HydrophobicContact CG2-CG2 4.19Å; T350-I363 HydrophobicContact CG2-CG2 3.84Å; T350-G364 PolarHBondContact OG1-O 3.32Å; T350-N366 PolarHBondContact OG1-N 3.49Å; T350-C367 CarbonylContact C-O 3.55Å; T350-C367 VanDerWaalsContact CA-O 3.23Å; T350-C367 WeakPolarHBondContact CA-O 3.38Å; T350-C367 HydrophobicContact CG2-CB 3.83Å; T350-C367 PolarHBondContact OG1-N 3.07Å; T350-L369 HydrophobicContact CG2-CD1 4.01Å
351K97.1Very high95.4Very high117 Ų11727.6 Ų27.651%0.50915%0.149SC..EExtended strand (participates in β ladder)trans-112.5127.2179-175179.8178-176.60110.7V333 V353 C367 S368 L369V333-K351 WeakPolarHBondContact O-CA 3.41Å; K351-V353 HydrophobicContact CD-CG2 4.48Å; K351-V353 HydrophobicContact CG-CG2 4.15Å; K351-C367 PolarHBondContact N-O 3.45Å; K351-S368 WeakPolarHBondContact O-CA 3.45Å; K351-L369 PolarHBondContact O-N 2.69Å
352V97Very high95.6Very high0 Ų029.7 Ų29.70%016%0.163CC..EExtended strand (participates in β ladder)trans-122.4128.9179.3-171.20000109.9V333 L334 A335 V338 T350 I357 L369V333-V352 PolarHBondContact O-N 3.37Å; L334-V352 HydrophobicContact CD2-CB 3.94Å; L334-V352 HydrophobicContact CD2-CG2 3.94Å; A335-V352 PolarHBondContact N-O 3.25Å; V338-V352 HydrophobicContact CB-CG1 4.46Å; V338-V352 HydrophobicContact CG1-CB 4.28Å; V338-V352 HydrophobicContact CG1-CG1 3.66Å; V338-V352 HydrophobicContact CG2-CB 4.23Å; V338-V352 HydrophobicContact CG2-CG1 3.91Å; V338-V352 WeakPolarHBondContact CG2-O 3.34Å; T350-V352 HydrophobicContact CG2-CG2 4.19Å; V352-I357 HydrophobicContact CG1-CD1 4.18Å; V352-I357 HydrophobicContact CG2-CD1 4.48Å; V352-L369 HydrophobicContact CG1-CB 4.31Å; V352-L369 HydrophobicContact CG2-CD1 4.15Å
353V96Very high95.9Very high38 Ų3829.8 Ų29.823%0.2316%0.163CC..EExtended strand (participates in β ladder)trans-140.1137-179.2-166.60000110.6A335 K351 S355 L369 S370 N371A335-V353 HydrophobicContact CB-CG2 3.83Å; K351-V353 HydrophobicContact CD-CG2 4.48Å; K351-V353 HydrophobicContact CG-CG2 4.15Å; V353-S355 PolarHBondContact O-N 2.92Å; V353-S355 PolarHBondContact O-OG 3.27Å; V353-L369 PolarHBondContact N-O 3.14Å; V353-S370 WeakPolarHBondContact O-CA 3.35Å; V353-N371 PolarHBondContact O-N 3.32Å
354D94.7Very high96.1Very high28 Ų2827.6 Ų27.615%0.1516%0.159CC..SBendtrans50.430.8175.2-72.1-23.3000113.4K283 K336 N337 N371K283-D354 IonicContact NZ-OD1 3.9Å; K283-D354 IonicContact NZ-OD2 2.7Å; K283-D354 PolarHBondContact NZ-OD2 3.46Å; K336-D354 PolarHBondContact O-N 3.15Å; N337-D354 VanDerWaalsContact CB-OD1 3.22Å; N337-D354 WeakPolarHBondContact CB-OD1 3.39Å; N337-D354 PolarHBondContact ND2-OD1 2.85Å; N337-D354 CarbonylContact O-C 3.49Å; N337-D354 VanDerWaalsContact O-CA 3.24Å; N337-D354 WeakPolarHBondContact O-CA 3.44Å; N337-D354 PolarHBondContact O-N 2.88Å; D354-N371 HydrophobicContact CB-CB 4.48Å; D354-N371 VanDerWaalsContact O-CA 3.29Å; D354-N371 WeakPolarHBondContact O-CA 3.46Å
355S96.5Very high96.2Very high0 Ų030.7 Ų30.70%018%0.175CC..  trans-125.7148.2-168.3-59.60000112.4N337 V338 V339 V353 N371 C372N337-S355 PolarHBondContact O-N 3.49Å; N337-S355 VanDerWaalsContact O-N 3.16Å; V338-S355 WeakPolarHBondContact CA-O 3.36Å; V339-S355 PolarHBondContact N-O 2.99Å; V339-S355 VanDerWaalsContact N-O 3.14Å; V353-S355 PolarHBondContact O-N 2.92Å; V353-S355 PolarHBondContact O-OG 3.27Å; S355-N371 PolarHBondContact OG-N 3.06Å; S355-C372 CarbonylContact C-O 3.51Å; S355-C372 WeakPolarHBondContact CA-O 3.3Å; S355-C372 VanDerWaalsContact CB-O 3.32Å; S355-C372 WeakPolarHBondContact CB-O 3.37Å; S355-C372 PolarHBondContact OG-N 2.77Å
356T96.5Very high96.2Very high1 Ų131.5 Ų31.51%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-112.8128.6176.7-61.70000109.5N36 N282 I286 V339 C372 L374N36-T356 WeakPolarHBondContact OD1-CG2 3.41Å; N282-T356 PolarHBondContact ND2-OG1 3.34Å; N282-T356 PolarHBondContact OD1-OG1 3.26Å; I286-T356 WeakPolarHBondContact CD1-OG1 3.38Å; V339-T356 HydrophobicContact CB-CG2 4.15Å; V339-T356 HydrophobicContact CG1-CG2 4.44Å; T356-C372 PolarHBondContact N-O 3.37Å; T356-L374 PolarHBondContact O-N 2.66Å
357I96.7Very high96.3Very high0 Ų031.5 Ų31.50%018%0.178CC..EExtended strand (participates in β ladder)trans-115.4117.8178.5-60.2160.4000107.4N36 V339 V340 G341 I346 V352 C361 I363 L374N36-I357 PolarHBondContact ND2-O 2.88Å; V339-I357 PolarHBondContact O-N 2.97Å; V340-I357 HydrophobicContact CG2-CD1 4.22Å; G341-I357 PolarHBondContact N-O 3.09Å; I346-I357 HydrophobicContact CD1-CD1 4.2Å; V352-I357 HydrophobicContact CG1-CD1 4.18Å; V352-I357 HydrophobicContact CG2-CD1 4.48Å; I357-C361 HydrophobicContact CG2-CB 3.51Å; I357-I363 HydrophobicContact CD1-CD1 3.41Å; I357-I363 VanDerWaalsContact CD1-CD1 3.41Å; I357-I363 HydrophobicContact CG1-CD1 4Å; I357-I363 HydrophobicContact CG2-CD1 4.41Å; I357-L374 HydrophobicContact CG1-CD1 4.5Å
358G94.5Very high96.3Very high3 Ų333.6 Ų33.63%0.03119%0.191CC..  trans-69.6-179.1175.900000112.9C344 C361 L374C344-G358 PolarHBondContact SG-O 3.44Å; G358-C361 PolarHBondContact O-SG 3.24Å; G358-L374 PolarHBondContact N-O 3.5Å
359D92.7Very high96.4Very high50 Ų5031.4 Ų31.427%0.26718%0.175SC..THydrogen-bonded Turntrans-72.3154-178.2-68-11.8000112.4G341 A342 C361 E376 K377G341-D359 WeakPolarHBondContact CA-OD1 3.48Å; A342-D359 PolarHBondContact N-OD1 3.43Å; A342-D359 WeakPolarHBondContact O-CA 3.47Å; D359-C361 PolarHBondContact O-N 2.99Å; D359-E376 WeakPolarHBondContact O-CA 3.5Å; D359-K377 PolarHBondContact O-N 2.77Å
360D95.3Very high96.3Very high58 Ų5829.2 Ų29.231%0.3117%0.168SC..THydrogen-bonded Turntrans59.825.7177.6-64.5-59.9000114.4A342 R343 K377A342-D360 PolarHBondContact O-N 2.91Å; R343-D360 WeakPolarHBondContact CB-OD1 3.45Å; R343-D360 WeakPolarHBondContact CD-OD1 3.43Å; R343-D360 IonicContact CZ-OD1 2.64Å; R343-D360 IonicContact CZ-OD2 2.65Å; R343-D360 IonicContact NE-OD1 3.61Å; R343-D360 PolarHBondContact NE-OD1 2.88Å; R343-D360 IonicContact NE-OD2 2.65Å; R343-D360 VanDerWaalsContact NH2-CG 3.33Å; R343-D360 IonicContact NH2-OD1 3.16Å; R343-D360 PolarHBondContact NH2-OD1 3.44Å; R343-D360 IonicContact NH2-OD2 3.87Å; R343-D360 PolarHBondContact NH2-OD2 2.99Å; D360-K377 HydrophobicContact CB-CG 3.87Å; D360-K377 WeakPolarHBondContact O-CA 3.44Å
361C97Very high96.2Very high1 Ų130.9 Ų30.91%0.00718%0.177CC..  trans-85.3145.4178.9-69.20000112.8C344 T345 I357 G358 D359 M375 V378C344-C361 CarbonylContact C-O 3.57Å; C344-C361 WeakPolarHBondContact CA-O 3.27Å; C344-C361 PolarHBondContact SG-N 3.35Å; T345-C361 PolarHBondContact N-O 3.04Å; I357-C361 HydrophobicContact CG2-CB 3.51Å; G358-C361 PolarHBondContact O-SG 3.24Å; D359-C361 PolarHBondContact O-N 2.99Å; C361-M375 PolarHBondContact SG-O 3.22Å; C361-V378 CarbonylContact C-O 3.51Å; C361-V378 VanDerWaalsContact CA-O 3.25Å; C361-V378 WeakPolarHBondContact CA-O 3.32Å
362S97Very high96.1Very high43 Ų4325.3 Ų25.330%0.30115%0.153SC..EExtended strand (participates in β ladder)trans-122.2125.5172.1590000110.6T345 V378 C379 V380T345-S362 WeakPolarHBondContact OG1-CA 3.44Å; T345-S362 VanDerWaalsContact OG1-CB 3.31Å; T345-S362 WeakPolarHBondContact OG1-CB 3.45Å; S362-V378 PolarHBondContact N-O 3.33Å; S362-C379 CarbonylContact O-C 3.59Å; S362-C379 WeakPolarHBondContact O-CA 3.45Å; S362-C379 PolarHBondContact OG-SG 2.74Å; S362-C379 VanDerWaalsContact OG-SG 3.32Å; S362-V380 PolarHBondContact O-N 2.82Å
363I97.3Very high96.1Very high6 Ų625.4 Ų25.43%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-119.8122.5178.8-54.4177.5000108.1T345 I346 G347 T350 I357 C367 L369 V380T345-I363 PolarHBondContact O-N 2.89Å; I346-I363 HydrophobicContact CG1-CD1 4.44Å; G347-I363 PolarHBondContact N-O 3.16Å; T350-I363 HydrophobicContact CG2-CG2 3.84Å; I357-I363 HydrophobicContact CD1-CD1 3.41Å; I357-I363 VanDerWaalsContact CD1-CD1 3.41Å; I357-I363 HydrophobicContact CG1-CD1 4Å; I357-I363 HydrophobicContact CG2-CD1 4.41Å; I363-C367 HydrophobicContact CG2-CB 4.07Å; I363-L369 HydrophobicContact CD1-CD1 4.35Å; I363-L369 HydrophobicContact CD1-CD2 4.22Å; I363-L369 HydrophobicContact CG2-CD1 3.93Å; I363-V380 HydrophobicContact CG2-CB 4.49Å
364G96.4Very high96.1Very high12 Ų1223.7 Ų23.712%0.12414%0.142CC..  trans-66.7-173.9179.400000114.8G347 T350 V380 N382G347-G364 WeakPolarHBondContact CA-O 3.33Å; T350-G364 PolarHBondContact OG1-O 3.32Å; G364-V380 PolarHBondContact N-O 3.33Å; G364-N382 VanDerWaalsContact CA-OD1 3.26Å; G364-N382 WeakPolarHBondContact CA-OD1 3.3Å
365D97.4Very high96.1Very high65 Ų6522.4 Ų22.435%0.34814%0.136SC..THydrogen-bonded Turntrans-81.8151.2179.5-59.8-39.3000111.9G347 S348 C367 N382 N383G347-D365 WeakPolarHBondContact CA-OD1 3.32Å; S348-D365 PolarHBondContact N-OD1 2.96Å; S348-D365 CarbonylContact O-C 3.46Å; S348-D365 WeakPolarHBondContact O-CA 3.28Å; D365-C367 VanDerWaalsContact C-N 3.29Å; D365-C367 PolarHBondContact O-N 2.91Å; D365-C367 PolarHBondContact O-SG 2.8Å; D365-N382 PolarHBondContact N-OD1 3.46Å; D365-N382 CarbonylContact O-C 3.54Å; D365-N382 WeakPolarHBondContact O-CA 3.48Å; D365-N383 PolarHBondContact O-N 3.29Å
366N97.1Very high95.9Very high77 Ų7725.9 Ų25.941%0.41215%0.152SC..THydrogen-bonded Turntrans55.935.3178.3-51.4-48.7000114.3S348 N349 T350 N383S348-N366 PolarHBondContact O-N 3.01Å; N349-N366 VanDerWaalsContact CB-OD1 3.27Å; N349-N366 WeakPolarHBondContact CB-OD1 3.21Å; N349-N366 PolarHBondContact ND2-OD1 3.5Å; T350-N366 PolarHBondContact OG1-N 3.49Å; N366-N383 WeakPolarHBondContact CB-OD1 3.38Å; N366-N383 PolarHBondContact ND2-OD1 2.9Å; N366-N383 VanDerWaalsContact ND2-OD1 3.14Å
367C97.3Very high95.8Very high4 Ų430.5 Ų30.53%0.02717%0.172CC..  trans-93.5154.6179.2-65.40000112.5T350 K351 I363 D365 L369 G381 C384T350-C367 CarbonylContact C-O 3.55Å; T350-C367 VanDerWaalsContact CA-O 3.23Å; T350-C367 WeakPolarHBondContact CA-O 3.38Å; T350-C367 HydrophobicContact CG2-CB 3.83Å; T350-C367 PolarHBondContact OG1-N 3.07Å; K351-C367 PolarHBondContact N-O 3.45Å; I363-C367 HydrophobicContact CG2-CB 4.07Å; D365-C367 VanDerWaalsContact C-N 3.29Å; D365-C367 PolarHBondContact O-N 2.91Å; D365-C367 PolarHBondContact O-SG 2.8Å; C367-L369 HydrophobicContact CB-CD1 4.15Å; C367-G381 PolarHBondContact SG-O 2.94Å; C367-C384 CarbonylContact C-O 3.58Å; C367-C384 WeakPolarHBondContact CA-O 3.33Å; C367-C384 WeakPolarHBondContact CB-O 3.5Å; C367-C384 PolarHBondContact SG-N 2.84Å; C367-C384 VanDerWaalsContact SG-N 3.37Å
368S96.9Very high95.8Very high56 Ų5630.5 Ų30.539%0.39217%0.172SC..EExtended strand (participates in β ladder)trans-127121172.359.40000110.3K351 C384 A385 L386K351-S368 WeakPolarHBondContact O-CA 3.45Å; S368-C384 PolarHBondContact N-O 3.42Å; S368-A385 CarbonylContact O-C 3.55Å; S368-A385 WeakPolarHBondContact O-CA 3.18Å; S368-A385 WeakPolarHBondContact OG-CB 3.24Å; S368-L386 PolarHBondContact O-N 2.89Å
369L97.1Very high95.9Very high2 Ų232.5 Ų32.51%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-119.6125.2178.9-65.295.5000109.5T350 K351 V352 V353 I363 C367 L374 L386T350-L369 HydrophobicContact CG2-CD1 4.01Å; K351-L369 PolarHBondContact O-N 2.69Å; V352-L369 HydrophobicContact CG1-CB 4.31Å; V352-L369 HydrophobicContact CG2-CD1 4.15Å; V353-L369 PolarHBondContact N-O 3.14Å; I363-L369 HydrophobicContact CD1-CD1 4.35Å; I363-L369 HydrophobicContact CD1-CD2 4.22Å; I363-L369 HydrophobicContact CG2-CD1 3.93Å; C367-L369 HydrophobicContact CB-CD1 4.15Å; L369-L374 HydrophobicContact CD2-CD1 3.64Å; L369-L374 HydrophobicContact CD2-CD2 4.04Å; L369-L386 HydrophobicContact CD2-CD1 3.88Å; L369-L386 HydrophobicContact CG-CB 4.27Å; L369-L386 HydrophobicContact CG-CD1 3.96Å
370S95.5Very high96.2Very high53 Ų5330.4 Ų30.437%0.37117%0.174SC..EExtended strand (participates in β ladder)trans-136.2121.8-178.256.80000111.2V353 C372 L386 S387 E388V353-S370 WeakPolarHBondContact O-CA 3.35Å; S370-C372 VanDerWaalsContact C-N 3.34Å; S370-C372 PolarHBondContact O-N 2.77Å; S370-C372 PolarHBondContact O-SG 3.08Å; S370-L386 PolarHBondContact N-O 3.19Å; S370-L386 PolarHBondContact OG-O 2.87Å; S370-S387 CarbonylContact O-C 3.58Å; S370-S387 WeakPolarHBondContact O-CA 3.4Å; S370-S387 WeakPolarHBondContact OG-CA 3.27Å; S370-S387 WeakPolarHBondContact OG-CB 3.46Å; S370-E388 PolarHBondContact O-N 3.07Å
371N94.6Very high96.2Very high35 Ų3528.3 Ų28.319%0.18717%0.166CC..SBendtrans5147.8179.1-163.434.8000113.9L279 V353 D354 S355 E388L279-N371 WeakPolarHBondContact CD2-O 3.39Å; V353-N371 PolarHBondContact O-N 3.32Å; D354-N371 HydrophobicContact CB-CB 4.48Å; D354-N371 VanDerWaalsContact O-CA 3.29Å; D354-N371 WeakPolarHBondContact O-CA 3.46Å; S355-N371 PolarHBondContact OG-N 3.06Å; N371-E388 HydrophobicContact CB-CG 4.28Å; N371-E388 VanDerWaalsContact O-CA 3.24Å; N371-E388 WeakPolarHBondContact O-CA 3.38Å
372C95.2Very high96.2Very high0 Ų031.2 Ų31.20%018%0.181CC..  trans-115.6148.8-176.5-660000112.3S355 T356 S370 L374 L386 S389S355-C372 CarbonylContact C-O 3.51Å; S355-C372 WeakPolarHBondContact CA-O 3.3Å; S355-C372 VanDerWaalsContact CB-O 3.32Å; S355-C372 WeakPolarHBondContact CB-O 3.37Å; S355-C372 PolarHBondContact OG-N 2.77Å; T356-C372 PolarHBondContact N-O 3.37Å; S370-C372 VanDerWaalsContact C-N 3.34Å; S370-C372 PolarHBondContact O-N 2.77Å; S370-C372 PolarHBondContact O-SG 3.08Å; C372-L374 HydrophobicContact CB-CD1 3.88Å; C372-L386 VanDerWaalsContact SG-C 3.59Å; C372-S389 VanDerWaalsContact CA-O 3.25Å; C372-S389 WeakPolarHBondContact CA-O 3.34Å; C372-S389 WeakPolarHBondContact CB-O 3.44Å
373I95.7Very high96.3Very high2 Ų233.1 Ų33.11%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-114.6111.9169.9-63.6169.1000107.7W278 L279 N282 S389 V390 L391W278-I373 HydrophobicContact CD2-CD1 4.06Å; W278-I373 HydrophobicContact CG-CD1 4.06Å; W278-I373 HydrophobicContact CZ2-CD1 4.47Å; W278-I373 HydrophobicContact CZ2-CG2 4.12Å; L279-I373 HydrophobicContact CD2-CD1 3.71Å; L279-I373 HydrophobicContact CD2-CG1 3.8Å; L279-I373 HydrophobicContact CG-CD1 4.39Å; N282-I373 HydrophobicContact CB-CD1 3.94Å; I373-S389 PolarHBondContact N-O 3.19Å; I373-V390 HydrophobicContact CB-CG2 4.4Å; I373-V390 WeakPolarHBondContact O-CA 3.39Å; I373-L391 PolarHBondContact O-N 2.78Å
374L96Very high96.2Very high1 Ų133 Ų331%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-102.8120.8172.2-6881.9000107.3T356 I357 G358 L369 C372 V378 V380 L391T356-L374 PolarHBondContact O-N 2.66Å; I357-L374 HydrophobicContact CG1-CD1 4.5Å; G358-L374 PolarHBondContact N-O 3.5Å; L369-L374 HydrophobicContact CD2-CD1 3.64Å; L369-L374 HydrophobicContact CD2-CD2 4.04Å; C372-L374 HydrophobicContact CB-CD1 3.88Å; L374-V378 HydrophobicContact CB-CB 4.33Å; L374-V378 HydrophobicContact CB-CG1 4.5Å; L374-V378 HydrophobicContact CB-CG2 4.33Å; L374-V378 HydrophobicContact CD2-CB 4.28Å; L374-V378 HydrophobicContact CD2-CG1 3.81Å; L374-V378 HydrophobicContact CG-CG1 4.34Å; L374-V380 HydrophobicContact CD2-CG2 3.91Å; L374-L391 HydrophobicContact CG-CB 4.4Å; L374-L391 HydrophobicContact CG-CD2 4.49Å
375M94.4Very high96.3Very high2 Ų233.9 Ų33.91%0.0119%0.194CC..  trans-78.8-156.7176.4-60.9-173.766.500110.9K27 L32 P33 W278 C361 L391 N393K27-M375 HydrophobicContact CD-CE 4.25Å; L32-M375 HydrophobicContact CD2-CE 4.38Å; P33-M375 VanDerWaalsContact CD-CE 3.46Å; P33-M375 HydrophobicContact CG-CE 3.92Å; P33-M375 HydrophobicContact CG-CG 4.21Å; W278-M375 HydrophobicContact CH2-SD 4.23Å; C361-M375 PolarHBondContact SG-O 3.22Å; M375-L391 WeakPolarHBondContact CB-O 3.44Å; M375-L391 WeakPolarHBondContact CG-O 3.49Å; M375-L391 PolarHBondContact N-O 3.16Å; M375-N393 WeakPolarHBondContact CB-OD1 3.08Å
376E92.9Very high96.2Very high73 Ų7331 Ų3134%0.34118%0.178SC..THydrogen-bonded Turntrans-76.5146.4-174.1-64.3165.4-137.800112.6K27 D359 V378 N393 E394K27-E376 IonicContact NZ-OE1 2.82Å; D359-E376 WeakPolarHBondContact O-CA 3.5Å; E376-V378 PolarHBondContact O-N 2.97Å; E376-N393 PolarHBondContact N-OD1 2.89Å; E376-N393 WeakPolarHBondContact O-CA 3.41Å; E376-E394 PolarHBondContact O-N 3.43Å
377K95.2Very high96Very high98 Ų9828.8 Ų28.843%0.42617%0.169SC..THydrogen-bonded Turntrans57.530.9174.1-57.1168.5174.6169.60114.4D359 D360 E394D359-K377 PolarHBondContact O-N 2.77Å; D360-K377 HydrophobicContact CB-CG 3.87Å; D360-K377 WeakPolarHBondContact O-CA 3.44Å; K377-E394 HydrophobicContact CB-CG 4.05Å; K377-E394 HydrophobicContact CD-CG 3.81Å; K377-E394 WeakPolarHBondContact CD-OE1 3.3Å; K377-E394 IonicContact NZ-OE1 3.88Å; K377-E394 PolarHBondContact NZ-OE1 2.87Å
378V96.4Very high95.8Very high0 Ų031.4 Ų31.40%018%0.181CC..  trans-79.3133.1175.8-179.50000109.6C361 S362 L374 E376 V380 L391 S392 V395C361-V378 CarbonylContact C-O 3.51Å; C361-V378 VanDerWaalsContact CA-O 3.25Å; C361-V378 WeakPolarHBondContact CA-O 3.32Å; S362-V378 PolarHBondContact N-O 3.33Å; L374-V378 HydrophobicContact CB-CB 4.33Å; L374-V378 HydrophobicContact CB-CG1 4.5Å; L374-V378 HydrophobicContact CB-CG2 4.33Å; L374-V378 HydrophobicContact CD2-CB 4.28Å; L374-V378 HydrophobicContact CD2-CG1 3.81Å; L374-V378 HydrophobicContact CG-CG1 4.34Å; E376-V378 PolarHBondContact O-N 2.97Å; V378-V380 HydrophobicContact CG1-CG2 4.22Å; V378-L391 HydrophobicContact CG1-CB 4.2Å; V378-L391 HydrophobicContact CG1-CD2 3.74Å; V378-L391 HydrophobicContact CG2-CB 4.32Å; V378-S392 VanDerWaalsContact CG2-O 3.22Å; V378-S392 WeakPolarHBondContact CG2-O 3.22Å; V378-V395 WeakPolarHBondContact CA-O 3.49Å; V378-V395 HydrophobicContact CG1-CB 4.37Å; V378-V395 HydrophobicContact CG2-CB 4.47Å
379C97.3Very high95.6Very high44 Ų4428.7 Ų28.730%0.29716%0.162SC..EExtended strand (participates in β ladder)trans-114.8120.9177-59.50000109.2S362 V395 V396 V397S362-C379 CarbonylContact O-C 3.59Å; S362-C379 WeakPolarHBondContact O-CA 3.45Å; S362-C379 PolarHBondContact OG-SG 2.74Å; S362-C379 VanDerWaalsContact OG-SG 3.32Å; C379-V395 PolarHBondContact N-O 2.95Å; C379-V396 HydrophobicContact CB-CG1 4.3Å; C379-V396 HydrophobicContact CB-CG2 4.37Å; C379-V396 CarbonylContact O-C 3.59Å; C379-V396 WeakPolarHBondContact O-CA 3.49Å; C379-V397 PolarHBondContact O-N 2.96Å
380V97.4Very high95.3Very high6 Ų628.7 Ų28.74%0.03616%0.162CC..EExtended strand (participates in β ladder)trans-114121.9175-178.40000108.3S362 I363 G364 L374 V378 C384 L386S362-V380 PolarHBondContact O-N 2.82Å; I363-V380 HydrophobicContact CG2-CB 4.49Å; G364-V380 PolarHBondContact N-O 3.33Å; L374-V380 HydrophobicContact CD2-CG2 3.91Å; V378-V380 HydrophobicContact CG1-CG2 4.22Å; V380-C384 HydrophobicContact CG1-CB 3.68Å; V380-L386 HydrophobicContact CG1-CD1 3.74Å; V380-L386 HydrophobicContact CG2-CD1 3.96Å
381G96.8Very high95.2Very high15 Ų1526.1 Ų26.116%0.15514%0.144CC..  trans-65-170.517600000113.7C367 V397C367-G381 PolarHBondContact SG-O 2.94Å; G381-V397 PolarHBondContact N-O 2.71Å
382N97.3Very high95.1Very high61 Ų6124.5 Ų24.533%0.32614%0.136SC..THydrogen-bonded Turntrans-84.9153.3-178-56.9-49000111.7G364 D365 C384 N399 S400G364-N382 VanDerWaalsContact CA-OD1 3.26Å; G364-N382 WeakPolarHBondContact CA-OD1 3.3Å; D365-N382 PolarHBondContact N-OD1 3.46Å; D365-N382 CarbonylContact O-C 3.54Å; D365-N382 WeakPolarHBondContact O-CA 3.48Å; N382-C384 VanDerWaalsContact C-N 3.32Å; N382-C384 PolarHBondContact O-N 3.21Å; N382-C384 PolarHBondContact O-SG 3.06Å; N382-N399 PolarHBondContact N-OD1 3.44Å; N382-N399 CarbonylContact O-C 3.5Å; N382-N399 WeakPolarHBondContact O-CA 3.43Å; N382-S400 PolarHBondContact O-N 2.76Å
383N97.2Very high94.9Very high84 Ų8425 Ų2545%0.44914%0.138SC..THydrogen-bonded Turntrans59.835.4177.1-47.9-58.8000113.9D365 N366 S400D365-N383 PolarHBondContact O-N 3.29Å; N366-N383 WeakPolarHBondContact CB-OD1 3.38Å; N366-N383 PolarHBondContact ND2-OD1 2.9Å; N366-N383 VanDerWaalsContact ND2-OD1 3.14Å; N383-S400 WeakPolarHBondContact O-CA 3.13Å
384C97.1Very high94.7Very high3 Ų329.5 Ų29.52%0.0216%0.159CC..  trans-99.5144.7-177.5-64.60000112.7C367 S368 V380 N382 G398 C401C367-C384 CarbonylContact C-O 3.58Å; C367-C384 WeakPolarHBondContact CA-O 3.33Å; C367-C384 WeakPolarHBondContact CB-O 3.5Å; C367-C384 PolarHBondContact SG-N 2.84Å; C367-C384 VanDerWaalsContact SG-N 3.37Å; S368-C384 PolarHBondContact N-O 3.42Å; V380-C384 HydrophobicContact CG1-CB 3.68Å; N382-C384 VanDerWaalsContact C-N 3.32Å; N382-C384 PolarHBondContact O-N 3.21Å; N382-C384 PolarHBondContact O-SG 3.06Å; C384-G398 PolarHBondContact SG-O 2.82Å; C384-C401 CarbonylContact C-O 3.57Å; C384-C401 VanDerWaalsContact CA-O 3.26Å; C384-C401 WeakPolarHBondContact CA-O 3.49Å; C384-C401 PolarHBondContact SG-N 3.1Å
385A96.7Very high94.6Very high31 Ų3129.4 Ų29.426%0.25616%0.159SC..EExtended strand (participates in β ladder)trans-118.9120.9174.200000110S368 C401 T402 I403S368-A385 CarbonylContact O-C 3.55Å; S368-A385 WeakPolarHBondContact O-CA 3.18Å; S368-A385 WeakPolarHBondContact OG-CB 3.24Å; A385-C401 PolarHBondContact N-O 3.04Å; A385-T402 HydrophobicContact CB-CG2 4.38Å; A385-T402 CarbonylContact O-C 3.56Å; A385-T402 WeakPolarHBondContact O-CA 3.38Å; A385-I403 PolarHBondContact O-N 3.02Å
386L96.1Very high94.6Very high3 Ų332 Ų322%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-119.2126.9179.6-71.6134.8000109.8S368 L369 S370 C372 V380 L391 I403S368-L386 PolarHBondContact O-N 2.89Å; L369-L386 HydrophobicContact CD2-CD1 3.88Å; L369-L386 HydrophobicContact CG-CB 4.27Å; L369-L386 HydrophobicContact CG-CD1 3.96Å; S370-L386 PolarHBondContact N-O 3.19Å; S370-L386 PolarHBondContact OG-O 2.87Å; C372-L386 VanDerWaalsContact SG-C 3.59Å; V380-L386 HydrophobicContact CG1-CD1 3.74Å; V380-L386 HydrophobicContact CG2-CD1 3.96Å; L386-L391 HydrophobicContact CD2-CD1 3.68Å; L386-L391 HydrophobicContact CD2-CD2 3.9Å; L386-L391 HydrophobicContact CD2-CG 4.46Å; L386-I403 CarbonylContact C-O 3.59Å; L386-I403 VanDerWaalsContact CA-O 3.27Å; L386-I403 WeakPolarHBondContact CA-O 3.42Å; L386-I403 HydrophobicContact CD2-CB 3.81Å; L386-I403 HydrophobicContact CD2-CD1 3.96Å; L386-I403 HydrophobicContact CD2-CG1 4.48Å; L386-I403 HydrophobicContact CD2-CG2 4.01Å; L386-I403 HydrophobicContact CG-CB 4.39Å
387S93.8Very high94.7Very high31 Ų3128.7 Ų28.722%0.21716%0.16CC..EExtended strand (participates in β ladder)trans-137.6132.7178.359.70000112.3S370 S389 I403 G404S370-S387 CarbonylContact O-C 3.58Å; S370-S387 WeakPolarHBondContact O-CA 3.4Å; S370-S387 WeakPolarHBondContact OG-CA 3.27Å; S370-S387 WeakPolarHBondContact OG-CB 3.46Å; S387-S389 PolarHBondContact O-N 3.1Å; S387-S389 PolarHBondContact O-OG 2.69Å; S387-I403 PolarHBondContact N-O 3.41Å; S387-G404 WeakPolarHBondContact O-CA 3.41Å
388E92Very high94.7Very high59 Ų5924.5 Ų24.528%0.27614%0.144SC..SBendtrans49.438.1173.2-60.3-179.9178.300113.7S370 N371 P405 R406 F457S370-E388 PolarHBondContact O-N 3.07Å; N371-E388 HydrophobicContact CB-CG 4.28Å; N371-E388 VanDerWaalsContact O-CA 3.24Å; N371-E388 WeakPolarHBondContact O-CA 3.38Å; E388-P405 HydrophobicContact CB-CB 4.38Å; E388-R406 HydrophobicContact CB-CG 4.33Å; E388-R406 WeakPolarHBondContact O-CA 3.43Å; E388-R406 PolarHBondContact O-N 3.33Å; E388-F457 HydrophobicContact CG-CZ 4.39Å; E388-F457 WeakPolarHBondContact OE2-CE1 3.32Å; E388-F457 WeakPolarHBondContact OE2-CZ 3.3Å
389S92Very high94.7Very high0 Ų027 Ų270%016%0.157CC..  trans-123.2149.7-168.6-64.90000112.5C372 I373 S387 C407C372-S389 VanDerWaalsContact CA-O 3.25Å; C372-S389 WeakPolarHBondContact CA-O 3.34Å; C372-S389 WeakPolarHBondContact CB-O 3.44Å; I373-S389 PolarHBondContact N-O 3.19Å; S387-S389 PolarHBondContact O-N 3.1Å; S387-S389 PolarHBondContact O-OG 2.69Å; S389-C407 CarbonylContact C-O 3.55Å; S389-C407 WeakPolarHBondContact CA-O 3.41Å; S389-C407 VanDerWaalsContact CB-O 3.29Å; S389-C407 WeakPolarHBondContact CB-O 3.25Å; S389-C407 PolarHBondContact OG-N 3.38Å
390V92.3Very high94.7Very high1 Ų128.1 Ų28.11%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-115.2120.4177.1179.60000109.4F275 W278 L279 I373 C407 V408 L409F275-V390 HydrophobicContact CD1-CB 4.36Å; F275-V390 HydrophobicContact CD1-CG2 4.11Å; W278-V390 HydrophobicContact CE3-CG1 4.21Å; W278-V390 HydrophobicContact CE3-CG2 4.38Å; W278-V390 HydrophobicContact CH2-CG1 3.8Å; W278-V390 HydrophobicContact CZ3-CG1 3.48Å; W278-V390 VanDerWaalsContact CZ3-CG1 3.48Å; W278-V390 HydrophobicContact CZ3-CG2 4.45Å; L279-V390 HydrophobicContact CD2-CG2 4.33Å; L279-V390 HydrophobicContact CG-CG2 4.48Å; I373-V390 HydrophobicContact CB-CG2 4.4Å; I373-V390 WeakPolarHBondContact O-CA 3.39Å; V390-C407 PolarHBondContact N-O 2.9Å; V390-V408 WeakPolarHBondContact O-CA 3.23Å; V390-L409 PolarHBondContact O-N 3.12Å
391L93Very high94.6Very high0 Ų027.8 Ų27.80%016%0.164CC..EExtended strand (participates in β ladder)trans-110.4114.7179.4-77.771.6000108.6I373 L374 M375 V378 L386 V395 V397 L409I373-L391 PolarHBondContact O-N 2.78Å; L374-L391 HydrophobicContact CG-CB 4.4Å; L374-L391 HydrophobicContact CG-CD2 4.49Å; M375-L391 WeakPolarHBondContact CB-O 3.44Å; M375-L391 WeakPolarHBondContact CG-O 3.49Å; M375-L391 PolarHBondContact N-O 3.16Å; V378-L391 HydrophobicContact CG1-CB 4.2Å; V378-L391 HydrophobicContact CG1-CD2 3.74Å; V378-L391 HydrophobicContact CG2-CB 4.32Å; L386-L391 HydrophobicContact CD2-CD1 3.68Å; L386-L391 HydrophobicContact CD2-CD2 3.9Å; L386-L391 HydrophobicContact CD2-CG 4.46Å; L391-V395 HydrophobicContact CB-CG1 4.47Å; L391-V395 HydrophobicContact CD2-CG1 4.04Å; L391-V395 HydrophobicContact CG-CG1 4.26Å; L391-V397 HydrophobicContact CD2-CG2 3.89Å; L391-L409 HydrophobicContact CD2-CD1 4.39Å; L391-L409 HydrophobicContact CG-CD1 4.05Å; L391-L409 HydrophobicContact CG-CG 4.49Å
392S91.7Very high94.5Very high0 Ų029.7 Ų29.70%017%0.172CC..  trans-69.6-179.3177.2-162.80000112.5V378 V395 L409V378-S392 VanDerWaalsContact CG2-O 3.22Å; V378-S392 WeakPolarHBondContact CG2-O 3.22Å; S392-V395 WeakPolarHBondContact O-CG2 3.47Å; S392-L409 WeakPolarHBondContact CB-O 3.41Å; S392-L409 PolarHBondContact N-O 3.06Å
393N91.2Very high94.2Very high10 Ų1026.8 Ų26.85%0.05316%0.157CC..THydrogen-bonded Turntrans-65147-176.4-41.7-77.4000111.5K27 M375 E376 V395 C411 G412K27-N393 WeakPolarHBondContact CD-ND2 3.14Å; K27-N393 WeakPolarHBondContact CE-ND2 3.37Å; K27-N393 PolarHBondContact NZ-ND2 2.75Å; K27-N393 VanDerWaalsContact NZ-ND2 3.14Å; K27-N393 PolarHBondContact NZ-OD1 3.17Å; K27-N393 VanDerWaalsContact NZ-OD1 3.14Å; M375-N393 WeakPolarHBondContact CB-OD1 3.08Å; E376-N393 PolarHBondContact N-OD1 2.89Å; E376-N393 WeakPolarHBondContact O-CA 3.41Å; N393-V395 PolarHBondContact O-N 3.05Å; N393-V395 VanDerWaalsContact O-N 3.12Å; N393-C411 WeakPolarHBondContact O-CA 3.36Å; N393-C411 PolarHBondContact O-SG 2.56Å; N393-C411 VanDerWaalsContact O-SG 3.33Å; N393-G412 PolarHBondContact O-N 3.13Å
394E92.6Very high93.6Very high97 Ų9723 Ų2345%0.45314%0.138SC..THydrogen-bonded Turntrans6022.1173.5-53.5-174.8168.600113.8E376 K377 G412E376-E394 PolarHBondContact O-N 3.43Å; K377-E394 HydrophobicContact CB-CG 4.05Å; K377-E394 HydrophobicContact CD-CG 3.81Å; K377-E394 WeakPolarHBondContact CD-OE1 3.3Å; K377-E394 IonicContact NZ-OE1 3.88Å; K377-E394 PolarHBondContact NZ-OE1 2.87Å; E394-G412 WeakPolarHBondContact O-CA 3.27Å
395V92.5Very high93.2Very high0 Ų025 Ų250%015%0.15CC..  trans-72.9135.5172.2171.30000109.8V378 C379 L391 S392 N393 V397 L409 G410 V413V378-V395 WeakPolarHBondContact CA-O 3.49Å; V378-V395 HydrophobicContact CG1-CB 4.37Å; V378-V395 HydrophobicContact CG2-CB 4.47Å; C379-V395 PolarHBondContact N-O 2.95Å; L391-V395 HydrophobicContact CB-CG1 4.47Å; L391-V395 HydrophobicContact CD2-CG1 4.04Å; L391-V395 HydrophobicContact CG-CG1 4.26Å; S392-V395 WeakPolarHBondContact O-CG2 3.47Å; N393-V395 PolarHBondContact O-N 3.05Å; N393-V395 VanDerWaalsContact O-N 3.12Å; V395-V397 HydrophobicContact CG1-CG2 4.19Å; V395-L409 HydrophobicContact CG1-CB 4.18Å; V395-L409 HydrophobicContact CG1-CD1 3.87Å; V395-L409 HydrophobicContact CG2-CB 4.14Å; V395-G410 WeakPolarHBondContact CG2-O 3.5Å; V395-V413 WeakPolarHBondContact CA-O 3.44Å; V395-V413 HydrophobicContact CG2-CB 4.47Å
396V95.5Very high92.5Very high57 Ų5726 Ų2635%0.34515%0.147SC..EExtended strand (participates in β ladder)trans-120.3115.1177.1-176.30000109C379 V413 K414 I415C379-V396 HydrophobicContact CB-CG1 4.3Å; C379-V396 HydrophobicContact CB-CG2 4.37Å; C379-V396 CarbonylContact O-C 3.59Å; C379-V396 WeakPolarHBondContact O-CA 3.49Å; V396-V413 PolarHBondContact N-O 2.9Å; V396-K414 HydrophobicContact CB-CG 4.22Å; V396-K414 CarbonylContact O-C 3.57Å; V396-K414 VanDerWaalsContact O-CA 3.29Å; V396-K414 WeakPolarHBondContact O-CA 3.27Å; V396-I415 PolarHBondContact O-N 3Å
397V95.3Very high92.2Very high3 Ų325.9 Ų25.92%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-100.8125.4172.9179.80000108.5C379 G381 L391 V395 C401 I403 L409C379-V397 PolarHBondContact O-N 2.96Å; G381-V397 PolarHBondContact N-O 2.71Å; L391-V397 HydrophobicContact CD2-CG2 3.89Å; V395-V397 HydrophobicContact CG1-CG2 4.19Å; V397-C401 HydrophobicContact CG1-CB 3.62Å; V397-I403 HydrophobicContact CB-CD1 4.12Å; V397-I403 HydrophobicContact CG1-CD1 3.47Å; V397-I403 VanDerWaalsContact CG1-CD1 3.47Å; V397-I403 HydrophobicContact CG2-CD1 3.46Å; V397-I403 VanDerWaalsContact CG2-CD1 3.46Å; V397-L409 HydrophobicContact CG2-CD1 4.43Å
398G94.9Very high91.9Very high9 Ų924.7 Ų24.79%0.09314%0.138CC..  trans-64-171.6175.300000113.8C384 I415 D417C384-G398 PolarHBondContact SG-O 2.82Å; G398-I415 WeakPolarHBondContact CA-O 3.48Å; G398-I415 PolarHBondContact N-O 3.19Å; G398-D417 WeakPolarHBondContact CA-OD1 3.38Å
399N96.5Very high91.7Very high53 Ų5321.9 Ų21.928%0.28313%0.125SC..THydrogen-bonded Turntrans-82.8151.6177.3-54.2-68.4000111.7N382 C401 D417 G418N382-N399 PolarHBondContact N-OD1 3.44Å; N382-N399 CarbonylContact O-C 3.5Å; N382-N399 WeakPolarHBondContact O-CA 3.43Å; N399-C401 PolarHBondContact O-N 3.14Å; N399-D417 HydrophobicContact CB-CB 4.49Å; N399-D417 VanDerWaalsContact N-CG 3.29Å; N399-D417 PolarHBondContact N-OD1 3.23Å; N399-D417 PolarHBondContact ND2-OD2 2.82Å; N399-D417 CarbonylContact O-C 3.56Å; N399-D417 WeakPolarHBondContact O-CA 3.32Å; N399-D417 WeakPolarHBondContact O-CB 3.24Å; N399-G418 PolarHBondContact O-N 3.27Å
400S96.4Very high91.4Very high67 Ų6721.9 Ų21.947%0.46913%0.125SC..THydrogen-bonded Turntrans59.531.4174-52.70000113.7N382 N383 G418N382-S400 PolarHBondContact O-N 2.76Å; N383-S400 WeakPolarHBondContact O-CA 3.13Å; S400-G418 WeakPolarHBondContact O-CA 3.18Å
401C95.2Very high91.1Very high0 Ų023.7 Ų23.70%014%0.137CC..  trans-91.3145.4179.8-60.40000111.9C384 A385 V397 N399 P416 Q419C384-C401 CarbonylContact C-O 3.57Å; C384-C401 VanDerWaalsContact CA-O 3.26Å; C384-C401 WeakPolarHBondContact CA-O 3.49Å; C384-C401 PolarHBondContact SG-N 3.1Å; A385-C401 PolarHBondContact N-O 3.04Å; V397-C401 HydrophobicContact CG1-CB 3.62Å; N399-C401 PolarHBondContact O-N 3.14Å; C401-P416 PolarHBondContact SG-O 3.43Å; C401-Q419 CarbonylContact C-O 3.56Å; C401-Q419 VanDerWaalsContact CA-O 3.24Å; C401-Q419 WeakPolarHBondContact CA-O 3.41Å
402T94.9Very high90.8Very high54 Ų5424.8 Ų24.833%0.33115%0.149SC..EExtended strand (participates in β ladder)trans-116.4114.2169.1-51.60000108.9A385 Q419 K420 H421A385-T402 HydrophobicContact CB-CG2 4.38Å; A385-T402 CarbonylContact O-C 3.56Å; A385-T402 WeakPolarHBondContact O-CA 3.38Å; T402-Q419 PolarHBondContact N-O 2.84Å; T402-K420 CarbonylContact O-C 3.53Å; T402-K420 VanDerWaalsContact O-CA 3.29Å; T402-K420 WeakPolarHBondContact O-CA 3.46Å; T402-H421 PolarHBondContact O-N 2.84Å
403I91.1Very high90.6Very high1 Ų125 Ų251%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-119.8116.3-178.3-62.5166.2000108.4A385 L386 S387 V397 C407 L409 I415 H421A385-I403 PolarHBondContact O-N 3.02Å; L386-I403 CarbonylContact C-O 3.59Å; L386-I403 VanDerWaalsContact CA-O 3.27Å; L386-I403 WeakPolarHBondContact CA-O 3.42Å; L386-I403 HydrophobicContact CD2-CB 3.81Å; L386-I403 HydrophobicContact CD2-CD1 3.96Å; L386-I403 HydrophobicContact CD2-CG1 4.48Å; L386-I403 HydrophobicContact CD2-CG2 4.01Å; L386-I403 HydrophobicContact CG-CB 4.39Å; S387-I403 PolarHBondContact N-O 3.41Å; V397-I403 HydrophobicContact CB-CD1 4.12Å; V397-I403 HydrophobicContact CG1-CD1 3.47Å; V397-I403 VanDerWaalsContact CG1-CD1 3.47Å; V397-I403 HydrophobicContact CG2-CD1 3.46Å; V397-I403 VanDerWaalsContact CG2-CD1 3.46Å; I403-C407 HydrophobicContact CG2-CB 3.58Å; I403-L409 HydrophobicContact CD1-CD1 4.12Å; I403-I415 HydrophobicContact CD1-CD1 3.64Å; I403-I415 HydrophobicContact CG1-CD1 4.13Å; I403-H421 HydrophobicContact CG1-CB 4.48Å
404G85.6Confident90.6Very high5 Ų530.9 Ų30.95%0.05218%0.175CC..  trans113.6172.6177.400000113.8S387 C407 H421S387-G404 WeakPolarHBondContact O-CA 3.41Å; G404-C407 PolarHBondContact N-SG 3.1Å; G404-C407 VanDerWaalsContact N-SG 3.42Å; G404-H421 PolarHBondContact N-O 2.96Å
405P87.4Confident90.5Very high43 Ų4326.5 Ų26.528%0.27916%0.155SC..SBendcis-69.51545.627.7-36.8000113.9E388 V422 D423E388-P405 HydrophobicContact CB-CB 4.38Å; P405-V422 HydrophobicContact CG-CG1 4.31Å; P405-D423 PolarHBondContact O-N 3.39Å
406R83.3Confident90.4Very high53 Ų5329.2 Ų29.220%0.217%0.173CC..SBendtrans67.937.9164.3-56.2168.5-58.7-131.67.9116.4E388 D423 F457E388-R406 HydrophobicContact CB-CG 4.33Å; E388-R406 WeakPolarHBondContact O-CA 3.43Å; E388-R406 PolarHBondContact O-N 3.33Å; R406-D423 IonicContact CZ-OD1 2.65Å; R406-D423 IonicContact CZ-OD2 2.78Å; R406-D423 IonicContact NE-OD1 2.84Å; R406-D423 PolarHBondContact NE-OD1 3.28Å; R406-D423 VanDerWaalsContact NH2-CG 3.29Å; R406-D423 IonicContact NH2-OD1 3.96Å; R406-D423 PolarHBondContact NH2-OD1 3.03Å; R406-D423 IonicContact NH2-OD2 2.93Å; R406-D423 PolarHBondContact NH2-OD2 3.45Å; R406-F457 HydrophobicContact CG-CD2 3.56Å; R406-F457 HydrophobicContact CG-CE2 3.7Å; R406-F457 HydrophobicContact CG-CG 4.06Å; R406-F457 HydrophobicContact CG-CZ 4.29Å
407C88.2Confident90.3Very high1 Ų131.2 Ų31.21%0.00718%0.181CC..  trans-89.7139.7174.2-60.50000111.6S389 V390 I403 G404 H421 C424S389-C407 CarbonylContact C-O 3.55Å; S389-C407 WeakPolarHBondContact CA-O 3.41Å; S389-C407 VanDerWaalsContact CB-O 3.29Å; S389-C407 WeakPolarHBondContact CB-O 3.25Å; S389-C407 PolarHBondContact OG-N 3.38Å; V390-C407 PolarHBondContact N-O 2.9Å; I403-C407 HydrophobicContact CG2-CB 3.58Å; G404-C407 PolarHBondContact N-SG 3.1Å; G404-C407 VanDerWaalsContact N-SG 3.42Å; C407-H421 PolarHBondContact SG-O 3.16Å; C407-C424 VanDerWaalsContact CA-O 3.26Å; C407-C424 WeakPolarHBondContact CA-O 3.41Å; C407-C424 PolarHBondContact SG-SG 3.46Å
408V88.7Confident90.1Very high6 Ų633.4 Ų33.44%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-120.6119170.3-176.40000108.6L25 F275 V390 C424 R425 E426 F427L25-V408 HydrophobicContact CD2-CG1 4.47Å; F275-V408 HydrophobicContact CD1-CG1 4.22Å; F275-V408 HydrophobicContact CD1-CG2 3.76Å; F275-V408 HydrophobicContact CD2-CG2 3.93Å; F275-V408 HydrophobicContact CE1-CB 4.36Å; F275-V408 HydrophobicContact CE1-CG1 3.53Å; F275-V408 HydrophobicContact CE1-CG2 3.87Å; F275-V408 HydrophobicContact CE2-CG1 4.41Å; F275-V408 HydrophobicContact CE2-CG2 4.03Å; F275-V408 HydrophobicContact CG-CG2 3.8Å; F275-V408 HydrophobicContact CZ-CB 4.37Å; F275-V408 HydrophobicContact CZ-CG1 3.65Å; F275-V408 HydrophobicContact CZ-CG2 4Å; V390-V408 WeakPolarHBondContact O-CA 3.23Å; V408-C424 PolarHBondContact N-O 3.04Å; V408-R425 HydrophobicContact CB-CG 4.23Å; V408-E426 PolarHBondContact O-N 3.21Å; V408-E426 VanDerWaalsContact O-N 3.08Å; V408-F427 HydrophobicContact CB-CE1 4.43Å; V408-F427 HydrophobicContact CG1-CE1 3.94Å
409L87.8Confident89.8Confident0 Ų035 Ų350%021%0.21CC..EExtended strand (participates in β ladder)trans-107120.6178.3-54.7-175.4000109.8V390 L391 S392 V395 V397 I403 I415 E426V390-L409 PolarHBondContact O-N 3.12Å; L391-L409 HydrophobicContact CD2-CD1 4.39Å; L391-L409 HydrophobicContact CG-CD1 4.05Å; L391-L409 HydrophobicContact CG-CG 4.49Å; S392-L409 WeakPolarHBondContact CB-O 3.41Å; S392-L409 PolarHBondContact N-O 3.06Å; V395-L409 HydrophobicContact CG1-CB 4.18Å; V395-L409 HydrophobicContact CG1-CD1 3.87Å; V395-L409 HydrophobicContact CG2-CB 4.14Å; V397-L409 HydrophobicContact CG2-CD1 4.43Å; I403-L409 HydrophobicContact CD1-CD1 4.12Å; L409-I415 HydrophobicContact CD1-CD1 3.34Å; L409-I415 HydrophobicContact CD1-CG1 4.31Å; L409-I415 HydrophobicContact CD2-CD1 3.88Å; L409-I415 HydrophobicContact CG-CD1 4.29Å; L409-E426 CarbonylContact C-O 3.48Å; L409-E426 WeakPolarHBondContact CA-O 3.17Å; L409-E426 HydrophobicContact CD2-CB 3.9Å; L409-E426 HydrophobicContact CD2-CG 4.29Å
410G85.1Confident89.5Confident0 Ų039.8 Ų39.80%023%0.228CC..  trans-68.6170.1178.700000113.4V395 G412 V413 E426V395-G410 WeakPolarHBondContact CG2-O 3.5Å; G410-G412 PolarHBondContact O-N 3.02Å; G410-V413 WeakPolarHBondContact O-CG2 3.27Å; G410-V413 PolarHBondContact O-N 3.21Å; G410-E426 PolarHBondContact N-O 3.44Å
411C86.9Confident89Confident38 Ų3837.3 Ų37.326%0.25721%0.209SC..THydrogen-bonded Turntrans-61.5127.3-175.9-167.90000110.9N393 V413N393-C411 WeakPolarHBondContact O-CA 3.36Å; N393-C411 PolarHBondContact O-SG 2.56Å; N393-C411 VanDerWaalsContact O-SG 3.33Å; C411-V413 VanDerWaalsContact C-N 3.34Å; C411-V413 PolarHBondContact O-N 3.38Å
412G85.9Confident88.3Confident24 Ų2441.3 Ų41.325%0.24723%0.233CC..THydrogen-bonded Turntrans77.88.3176.500000116.1N393 E394 G410N393-G412 PolarHBondContact O-N 3.13Å; E394-G412 WeakPolarHBondContact O-CA 3.27Å; G410-G412 PolarHBondContact O-N 3.02Å
413V88.1Confident87.3Confident3 Ų342.9 Ų42.92%0.01824%0.24CC..  trans-64.6137.2175.8172.40000110.2V395 V396 G410 C411 I415 E426V395-V413 WeakPolarHBondContact CA-O 3.44Å; V395-V413 HydrophobicContact CG2-CB 4.47Å; V396-V413 PolarHBondContact N-O 2.9Å; G410-V413 WeakPolarHBondContact O-CG2 3.27Å; G410-V413 PolarHBondContact O-N 3.21Å; C411-V413 VanDerWaalsContact C-N 3.34Å; C411-V413 PolarHBondContact O-N 3.38Å; V413-I415 HydrophobicContact CG1-CG1 4.29Å; V413-E426 HydrophobicContact CG1-CB 4.24Å
414K90.4Very high86.3Confident134 Ų13444 Ų4458%0.58325%0.247SC*.EExtended strand (participates in β ladder)trans-120116.3178.8-61.4-175.1-1791760109.1V396 F432V396-K414 HydrophobicContact CB-CG 4.22Å; V396-K414 CarbonylContact O-C 3.57Å; V396-K414 VanDerWaalsContact O-CA 3.29Å; V396-K414 WeakPolarHBondContact O-CA 3.27Å; K414-F432 WeakPolarHBondContact O-CZ 3.33Å
415I90.4Very high85.2Confident5 Ų545.7 Ų45.73%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-97.3123.2176.5-65.4-179.5000108.8V396 G398 I403 L409 V413 Q419V396-I415 PolarHBondContact O-N 3Å; G398-I415 WeakPolarHBondContact CA-O 3.48Å; G398-I415 PolarHBondContact N-O 3.19Å; I403-I415 HydrophobicContact CD1-CD1 3.64Å; I403-I415 HydrophobicContact CG1-CD1 4.13Å; L409-I415 HydrophobicContact CD1-CD1 3.34Å; L409-I415 HydrophobicContact CD1-CG1 4.31Å; L409-I415 HydrophobicContact CD2-CD1 3.88Å; L409-I415 HydrophobicContact CG-CD1 4.29Å; V413-I415 HydrophobicContact CG1-CG1 4.29Å; I415-Q419 HydrophobicContact CG2-CB 3.87Å; I415-Q419 HydrophobicContact CG2-CG 4.46Å
416P91.6Very high83.8Confident58 Ų5844.6 Ų44.638%0.37724%0.243SC..PPolyproline II helixtrans-66159.8174.8-15.627.8000112.5C401 Q419 F432C401-P416 PolarHBondContact SG-O 3.43Å; P416-Q419 HydrophobicContact CB-CG 4.45Å; P416-F432 VanDerWaalsContact CD-CE1 3.41Å; P416-F432 HydrophobicContact CG-CE1 3.77Å; P416-F432 HydrophobicContact CG-CZ 3.79Å
417D92.8Very high82.5Confident98 Ų9844.4 Ų44.452%0.52424%0.244SC..THydrogen-bonded Turntrans-56.2142176.6-66.410.3000112.2G398 N399 Q419G398-D417 WeakPolarHBondContact CA-OD1 3.38Å; N399-D417 HydrophobicContact CB-CB 4.49Å; N399-D417 VanDerWaalsContact N-CG 3.29Å; N399-D417 PolarHBondContact N-OD1 3.23Å; N399-D417 PolarHBondContact ND2-OD2 2.82Å; N399-D417 CarbonylContact O-C 3.56Å; N399-D417 WeakPolarHBondContact O-CA 3.32Å; N399-D417 WeakPolarHBondContact O-CB 3.24Å; D417-Q419 VanDerWaalsContact C-N 3.32Å; D417-Q419 PolarHBondContact O-N 3.17Å
418G90.4Very high80.6Confident50 Ų5048.1 Ų48.152%0.51526%0.264SS..THydrogen-bonded Turntrans79.13.6172.500000116N399 S400N399-G418 PolarHBondContact O-N 3.27Å; S400-G418 WeakPolarHBondContact O-CA 3.18Å
419Q89.1Confident78.6Confident41 Ų4150.4 Ų50.419%0.19228%0.28CS..  trans-78.4149.1-179.7-69.5-160.5-7.200113.8C401 T402 I415 P416 D417 H421C401-Q419 CarbonylContact C-O 3.56Å; C401-Q419 VanDerWaalsContact CA-O 3.24Å; C401-Q419 WeakPolarHBondContact CA-O 3.41Å; T402-Q419 PolarHBondContact N-O 2.84Å; I415-Q419 HydrophobicContact CG2-CB 3.87Å; I415-Q419 HydrophobicContact CG2-CG 4.46Å; P416-Q419 HydrophobicContact CB-CG 4.45Å; D417-Q419 VanDerWaalsContact C-N 3.32Å; D417-Q419 PolarHBondContact O-N 3.17Å; Q419-H421 PolarHBondContact OE1-NE2 3.08Å
420K89.6Confident76.2Confident155 Ų15556.7 Ų56.767%0.67431%0.313SS*.EExtended strand (participates in β ladder)trans-121.3131.8173-61.8-171.9-178.2170.10110T402T402-K420 CarbonylContact O-C 3.53Å; T402-K420 VanDerWaalsContact O-CA 3.29Å; T402-K420 WeakPolarHBondContact O-CA 3.46Å
421H85.6Confident73.9Confident15 Ų1562.8 Ų62.87%0.06935%0.346CS..EExtended strand (participates in β ladder)trans-135.7121.7-173.1-82.3-64.2000108.6T402 I403 G404 C407 Q419 C424 E426T402-H421 PolarHBondContact O-N 2.84Å; I403-H421 HydrophobicContact CG1-CB 4.48Å; G404-H421 PolarHBondContact N-O 2.96Å; C407-H421 PolarHBondContact SG-O 3.16Å; Q419-H421 PolarHBondContact OE1-NE2 3.08Å; H421-C424 VanDerWaalsContact CB-SG 3.55Å; H421-E426 IonicContact CE1-OE1 2.93Å; H421-E426 PolarHBondContact CE1-OE1 3Å; H421-E426 IonicContact ND1-OE1 3.68Å; H421-E426 IonicContact NE2-OE1 3.48Å; H421-E426 PolarHBondContact NE2-OE1 3.29Å
422V81.2Confident71.4Confident84 Ų8465.6 Ų65.651%0.50935%0.354SS..SBendtrans-133.7135.6179.3-1780000107.8P405 C424P405-V422 HydrophobicContact CG-CG1 4.31Å; V422-C424 PolarHBondContact O-N 3.05Å
423D74.7Confident68.7Low86 Ų8671.3 Ų71.346%0.4638%0.376SS..SBendtrans52.728.5178.3-67.1-42.8000113.8P405 R406P405-D423 PolarHBondContact O-N 3.39Å; R406-D423 IonicContact CZ-OD1 2.65Å; R406-D423 IonicContact CZ-OD2 2.78Å; R406-D423 IonicContact NE-OD1 2.84Å; R406-D423 PolarHBondContact NE-OD1 3.28Å; R406-D423 VanDerWaalsContact NH2-CG 3.29Å; R406-D423 IonicContact NH2-OD1 3.96Å; R406-D423 PolarHBondContact NH2-OD1 3.03Å; R406-D423 IonicContact NH2-OD2 2.93Å; R406-D423 PolarHBondContact NH2-OD2 3.45Å
424C68.7Low66.1Low24 Ų2474.4 Ų74.416%0.16240%0.397CS..  trans-101.7150.5-173.180.80000112.8C407 V408 H421 V422C407-C424 VanDerWaalsContact CA-O 3.26Å; C407-C424 WeakPolarHBondContact CA-O 3.41Å; C407-C424 PolarHBondContact SG-SG 3.46Å; V408-C424 PolarHBondContact N-O 3.04Å; H421-C424 VanDerWaalsContact CB-SG 3.55Å; V422-C424 PolarHBondContact O-N 3.05Å
425R62.4Low63.3Low41 Ų4171.7 Ų71.716%0.15541%0.407CS..EExtended strand (participates in β ladder)trans-124.6102.7172.9-86.8-173.2168.417917.5108.7V408 F427 W453 W456V408-R425 HydrophobicContact CB-CG 4.23Å; R425-F427 HydrophobicContact CB-CD2 4.3Å; R425-F427 HydrophobicContact CB-CE2 3.51Å; R425-F427 HydrophobicContact CB-CZ 3.68Å; R425-F427 HydrophobicContact CG-CE2 3.99Å; R425-F427 HydrophobicContact CG-CZ 3.7Å; R425-W453 HydrophobicContact CB-CZ2 4.06Å; R425-W453 HydrophobicContact CG-CH2 4.49Å; R425-W453 HydrophobicContact CG-CZ2 4.39Å; R425-W456 VanDerWaalsContact CD-CZ3 3.43Å; R425-W456 HydrophobicContact CG-CH2 4.4Å; R425-W456 HydrophobicContact CG-CZ3 4.04Å; R425-W456 VanDerWaalsContact NH2-CD2 3.34Å
426E59.1Low60.3Low20 Ų2075.8 Ų75.89%0.09344%0.442CS..EExtended strand (participates in β ladder)trans-106.2117.3176.4-64.6-168.6154.100109.1V408 L409 G410 V413 H421V408-E426 PolarHBondContact O-N 3.21Å; V408-E426 VanDerWaalsContact O-N 3.08Å; L409-E426 CarbonylContact C-O 3.48Å; L409-E426 WeakPolarHBondContact CA-O 3.17Å; L409-E426 HydrophobicContact CD2-CB 3.9Å; L409-E426 HydrophobicContact CD2-CG 4.29Å; G410-E426 PolarHBondContact N-O 3.44Å; V413-E426 HydrophobicContact CG1-CB 4.24Å; H421-E426 IonicContact CE1-OE1 2.93Å; H421-E426 PolarHBondContact CE1-OE1 3Å; H421-E426 IonicContact ND1-OE1 3.68Å; H421-E426 IonicContact NE2-OE1 3.48Å; H421-E426 PolarHBondContact NE2-OE1 3.29Å
427F56.6Low57.3Low50 Ų5081.1 Ų81.122%0.21946%0.462CS..  trans-116-6.2-173.4-62.7-58.9000115T24 V408 R425T24-F427 VanDerWaalsContact CB-CD1 3.49Å; T24-F427 HydrophobicContact CG2-CD1 4.12Å; T24-F427 HydrophobicContact CG2-CD2 4.26Å; T24-F427 HydrophobicContact CG2-CE1 3.79Å; T24-F427 HydrophobicContact CG2-CE2 3.89Å; T24-F427 HydrophobicContact CG2-CG 4.34Å; T24-F427 HydrophobicContact CG2-CZ 3.65Å; T24-F427 VanDerWaalsContact OG1-CE1 3.23Å; T24-F427 WeakPolarHBondContact OG1-CE1 3.49Å; V408-F427 HydrophobicContact CB-CE1 4.43Å; V408-F427 HydrophobicContact CG1-CE1 3.94Å; R425-F427 HydrophobicContact CB-CD2 4.3Å; R425-F427 HydrophobicContact CB-CE2 3.51Å; R425-F427 HydrophobicContact CB-CZ 3.68Å; R425-F427 HydrophobicContact CG-CE2 3.99Å; R425-F427 HydrophobicContact CG-CZ 3.7Å
428D47.7Very low54.3Low79 Ų7982.4 Ų82.442%0.42248%0.475SS..  trans-148.3139.8-179.6-130.618.2000111.4K26 N430 N431K26-D428 IonicContact NZ-OD1 3.18Å; K26-D428 PolarHBondContact NZ-OD1 2.98Å; D428-N430 PolarHBondContact O-N 3.04Å; D428-N430 VanDerWaalsContact O-N 3.08Å; D428-N431 PolarHBondContact O-N 2.94Å
429S46.5Very low51.3Low54 Ų5485.1 Ų85.138%0.37849%0.486SS..THydrogen-bonded Turntrans-63.1-14.3179.1570000114
430N37.8Very low48.5Very low131 Ų13189.3 Ų89.370%0.70151%0.514SS*.THydrogen-bonded Turntrans-100.9-11.1-169.7-66.3-8.6000113.8D428D428-N430 PolarHBondContact O-N 3.04Å; D428-N430 VanDerWaalsContact O-N 3.08Å
431N36.5Very low45.6Very low128 Ų12888.5 Ų88.568%0.68452%0.517SS*.  trans-118.778.6177.8-108.13.1000109.7D428 M433D428-N431 PolarHBondContact O-N 2.94Å; N431-M433 PolarHBondContact O-N 2.86Å
432F34.8Very low42.9Very low98 Ų9896.6 Ų96.643%0.4356%0.555SS.*  trans-69.579.1162.7-87.4-87000109.1K414 P416 C434K414-F432 WeakPolarHBondContact O-CZ 3.33Å; P416-F432 VanDerWaalsContact CD-CE1 3.41Å; P416-F432 HydrophobicContact CG-CE1 3.77Å; P416-F432 HydrophobicContact CG-CZ 3.79Å; F432-C434 PolarHBondContact O-N 3.23Å
433M29.5Very low40.5Very low144 Ų144100.7 Ų100.771%0.70958%0.575SS**  trans-83.872.9162.5-76.4-84.4-54.700107.4N431 G435N431-M433 PolarHBondContact O-N 2.86Å; M433-G435 PolarHBondContact O-N 2.85Å; M433-G435 VanDerWaalsContact O-N 3.07Å
434C32.4Very low38.5Very low67 Ų67102.7 Ų102.745%0.45359%0.59SS.*  trans-66.2107164.1-66.40000107F432 A436F432-C434 PolarHBondContact O-N 3.23Å; C434-A436 VanDerWaalsContact C-N 3.3Å; C434-A436 PolarHBondContact O-N 3.03Å
435G30.8Very low36.5Very low78 Ų78109 Ų10980%0.80462%0.621SS**  trans-59.3100.915900000107.3M433M433-G435 PolarHBondContact O-N 2.85Å; M433-G435 VanDerWaalsContact O-N 3.07Å
436A28.4Very low35Very low90 Ų90115.5 Ų115.574%0.74465%0.654SS**  trans-57.9141.1169.800000108.4C434C434-A436 VanDerWaalsContact C-N 3.3Å; C434-A436 PolarHBondContact O-N 3.03Å
437E28.8Very low33.5Very low171 Ų171124.1 Ų124.180%0.79969%0.691SS**  trans-47.4135.8171.1-63.3-177.516400109.1S439E437-S439 PolarHBondContact O-N 3.21Å
438P28.7Very low32.3Very low125 Ų125129 Ų12981%0.81272%0.718SS**  trans-63.7109.3178.525.8-30.6000107.6V440P438-V440 PolarHBondContact O-N 3.31Å
439S29.1Very low31.3Very low106 Ų106129.3 Ų129.374%0.74173%0.732SS**  trans-59.2121.5166.550.10000107.3E437 D441E437-S439 PolarHBondContact O-N 3.21Å; S439-D441 PolarHBondContact O-N 2.94Å
440V29.6Very low30.4Very low129 Ų129134.1 Ų134.178%0.78275%0.753SS**SBendtrans-54.5125.5170.1-174.80000107.5P438P438-V440 PolarHBondContact O-N 3.31Å
441D29.1Very low30.1Very low138 Ų138137.5 Ų137.574%0.73876%0.758SS**  trans113.895.4173.2-59.6-28.3000113.4S439S439-D441 PolarHBondContact O-N 2.94Å
442E28.7Very low29.9Very low186 Ų186138.8 Ų138.887%0.86976%0.757SS**  170.8125.9120.8-89.4175.7-169.900111.1V444E442-V444 PolarHBondContact O-N 3.33Å
443N31.5Very low30Very low170 Ų170140.5 Ų140.591%0.90976%0.761SS**  trans-65.4121.9172.9-70.1-53.6000110.7
444V30.9Very low30.3Very low128 Ų128137.1 Ų137.178%0.77675%0.75SS**  trans-148.2107.6158.6-174.70000110.1E442E442-V444 PolarHBondContact O-N 3.33Å
445D28Very low30.7Very low155 Ų155139.3 Ų139.383%0.82975%0.753SS**  trans-65.1147158.2-78.1-48.9000110.5
446E30.9Very low31Very low179 Ų179139.2 Ų139.284%0.83673%0.729SS**  trans63.388.8165.8-66.4-176.2160.200118.1
447K28Very low31.3Very low201 Ų201137.3 Ų137.387%0.87470%0.704SS**  trans178.6145.3130.1-98158.6-171.1179.10111.9
448L31.4Very low31.4Very low152 Ų152131.8 Ų131.880%0.79668%0.683SS**  trans103.176.9169.9-65141.5000115.9
449A26.5Very low31.4Very low85 Ų85133 Ų13370%0.70268%0.682SS**  trans-46147.9132.200000110.5
450D27.2Very low31.3Very low155 Ų155137.3 Ų137.383%0.82969%0.687SS**  trans91.447.6179.1-55.6-22.1000118.3
451Y30.2Very low31.3Very low203 Ų203139 Ų13980%0.79669%0.69SS**  trans-111.993.6150.5-90.1-87.9000111.4W453Y451-W453 PolarHBondContact O-N 3.46Å
452F32.7Very low31.1Very low154 Ų154136.6 Ų136.668%0.67569%0.69SS**  trans-66.296.8174.2177.3-97.6000111.4
453W37.5Very low31Very low134 Ų134136.1 Ų136.151%0.50869%0.687SS.*  trans-166117.6146.7-69.2120000111.5R425 Y451 W456R425-W453 HydrophobicContact CB-CZ2 4.06Å; R425-W453 HydrophobicContact CG-CH2 4.49Å; R425-W453 HydrophobicContact CG-CZ2 4.39Å; Y451-W453 PolarHBondContact O-N 3.46Å; W453-W456 AromaticContact CD2-CH2 3.6Å; W453-W456 HydrophobicContact CD2-CH2 3.6Å; W453-W456 HydrophobicContact CD2-CZ2 4.09Å; W453-W456 AromaticContact CE3-CH2 3.05Å; W453-W456 HydrophobicContact CE3-CH2 3.05Å; W453-W456 AromaticContact CE3-CZ2 3.16Å; W453-W456 HydrophobicContact CE3-CZ2 3.16Å; W453-W456 HydrophobicContact CE3-CZ3 4.33Å; W453-W456 HydrophobicContact CG-CH2 4.43Å; W453-W456 AromaticContact CH2-CH2 3.77Å; W453-W456 HydrophobicContact CH2-CH2 3.77Å; W453-W456 HydrophobicContact CH2-CZ2 4.32Å; W453-W456 HydrophobicContact CZ2-CH2 4.25Å; W453-W456 AromaticContact CZ3-CH2 3.15Å; W453-W456 HydrophobicContact CZ3-CH2 3.15Å; W453-W456 AromaticContact CZ3-CZ2 3.31Å; W453-W456 HydrophobicContact CZ3-CZ2 3.31Å; W453-W456 HydrophobicContact CZ3-CZ3 4.44Å
454P35.9Very low30.8Very low73 Ų73133.5 Ų133.547%0.47468%0.68SS.*  trans-100.6121.6160.932.6-22.9000111.4W456P454-W456 PolarHBondContact O-NE1 3.36Å
455E40.1Very low30.6Very low113 Ų113135 Ų13553%0.52868%0.682SS.*  trans46.583.8135.4-58.8175.1119.600118.9F182F182-E455 HydrophobicContact CD1-CB 4.36Å; F182-E455 WeakPolarHBondContact CD1-OE2 3.28Å; F182-E455 HydrophobicContact CD2-CB 4.14Å; F182-E455 HydrophobicContact CE1-CB 3.83Å; F182-E455 HydrophobicContact CE1-CG 4.01Å; F182-E455 WeakPolarHBondContact CE1-OE1 3.24Å; F182-E455 WeakPolarHBondContact CE1-OE2 3.47Å; F182-E455 HydrophobicContact CE2-CB 3.54Å; F182-E455 WeakPolarHBondContact CE2-O 3.5Å; F182-E455 HydrophobicContact CZ-CB 3.37Å; F182-E455 HydrophobicContact CZ-CG 3.99Å
456W38.6Very low30.5Very low76 Ų76133.3 Ų133.329%0.28868%0.678SS.*SBendtrans-102.92.9174.8-63.4-22.1000116.6R425 W453 P454R425-W456 VanDerWaalsContact CD-CZ3 3.43Å; R425-W456 HydrophobicContact CG-CH2 4.4Å; R425-W456 HydrophobicContact CG-CZ3 4.04Å; R425-W456 VanDerWaalsContact NH2-CD2 3.34Å; W453-W456 AromaticContact CD2-CH2 3.6Å; W453-W456 HydrophobicContact CD2-CH2 3.6Å; W453-W456 HydrophobicContact CD2-CZ2 4.09Å; W453-W456 AromaticContact CE3-CH2 3.05Å; W453-W456 HydrophobicContact CE3-CH2 3.05Å; W453-W456 AromaticContact CE3-CZ2 3.16Å; W453-W456 HydrophobicContact CE3-CZ2 3.16Å; W453-W456 HydrophobicContact CE3-CZ3 4.33Å; W453-W456 HydrophobicContact CG-CH2 4.43Å; W453-W456 AromaticContact CH2-CH2 3.77Å; W453-W456 HydrophobicContact CH2-CH2 3.77Å; W453-W456 HydrophobicContact CH2-CZ2 4.32Å; W453-W456 HydrophobicContact CZ2-CH2 4.25Å; W453-W456 AromaticContact CZ3-CH2 3.15Å; W453-W456 HydrophobicContact CZ3-CH2 3.15Å; W453-W456 AromaticContact CZ3-CZ2 3.31Å; W453-W456 HydrophobicContact CZ3-CZ2 3.31Å; W453-W456 HydrophobicContact CZ3-CZ3 4.44Å; P454-W456 PolarHBondContact O-NE1 3.36Å
457F34.7Very low30.3Very low50 Ų50131.2 Ų131.222%0.21967%0.672CS.*SBendtrans-151134.4174.1-112.8-109.2000110.5H276 E388 R406 L459H276-F457 AromaticContact ND1-CE2 4Å; E388-F457 HydrophobicContact CG-CZ 4.39Å; E388-F457 WeakPolarHBondContact OE2-CE1 3.32Å; E388-F457 WeakPolarHBondContact OE2-CZ 3.3Å; R406-F457 HydrophobicContact CG-CD2 3.56Å; R406-F457 HydrophobicContact CG-CE2 3.7Å; R406-F457 HydrophobicContact CG-CG 4.06Å; R406-F457 HydrophobicContact CG-CZ 4.29Å; F457-L459 PolarHBondContact O-N 3.2Å
458P30.5Very low30.2Very low55 Ų55128.6 Ų128.636%0.35767%0.668SS.*  trans-75.1124.8168.130.9-27.8000109.2R159R159-P458 VanDerWaalsContact CZ-CB 3.46Å; R159-P458 VanDerWaalsContact NH2-CB 3.3Å
459L27.9Very low30Very low150 Ų150127.6 Ų127.679%0.78567%0.668SS**  trans163.5103.3154.7-87.7156000105.1F457F457-L459 PolarHBondContact O-N 3.2Å
460K28Very low30Very low197 Ų197130.2 Ų130.286%0.85767%0.67SS**  cis-141147.232.6-75.8168.6170.3173.70110.1A462K460-A462 PolarHBondContact O-N 3.46Å; K460-A462 VanDerWaalsContact O-N 3.13Å
461I28Very low30Very low164 Ų164127.3 Ų127.384%0.84167%0.667SS**  trans-63.8109163.9-60.3165.7000107.1
462A26.2Very low29.8Very low89 Ų89124.9 Ų124.974%0.73667%0.668SS**PPolyproline II helixtrans-92.9118.5152.100000105.7K460K460-A462 PolarHBondContact O-N 3.46Å; K460-A462 VanDerWaalsContact O-N 3.13Å
463E26.2Very low29.6Very low175 Ų175124.4 Ų124.482%0.81867%0.673SS**PPolyproline II helixtrans-55.2126.7171.8-64.9175172.300108.4L465E463-L465 PolarHBondContact O-N 3.36Å
464P26.5Very low29.4Very low116 Ų116124 Ų12475%0.75369%0.685SS**PPolyproline II helixtrans-69.7121.6170.627-28.2000107.6V466P464-V466 PolarHBondContact O-N 3.37Å
465L26.8Very low29.1Very low158 Ų158123.9 Ų123.983%0.82770%0.697SS**  trans-52.6109.3162.3-78.9155.7000107.7E463 N467E463-L465 PolarHBondContact O-N 3.36Å; L465-N467 PolarHBondContact O-N 3.02Å
466V27.2Very low28.5Very low121 Ų121127.4 Ų127.473%0.73371%0.711SS**  trans-65.889.2167.7-178.90000107P464 N468P464-V466 PolarHBondContact O-N 3.37Å; V466-N468 PolarHBondContact O-N 3.22Å
467N26.2Very low28.2Very low135 Ų135135.2 Ų135.272%0.72274%0.74SS**  trans-76.6104.3157.9-80.8-18.3000106.4L465 V469L465-N467 PolarHBondContact O-N 3.02Å; N467-V469 PolarHBondContact O-N 3.4Å
468N26.1Very low28Very low145 Ų145137.2 Ų137.278%0.77576%0.761SS**  trans-48.1101.8167.1-69.6-38.2000109.1V466V466-N468 PolarHBondContact O-N 3.22Å
469V27.7Very low27.9Very low132 Ų132141.6 Ų141.680%0.878%0.781SS**  trans-97.9118.2159.2-1800000105.6N467 A471N467-V469 PolarHBondContact O-N 3.4Å; V469-A471 PolarHBondContact O-N 2.85Å
470D25.9Very low28.1Very low139 Ų139139.9 Ų139.974%0.74378%0.777SS**  trans-48.4100.3-179.4-66.6-54.4000111.7N472D470-N472 PolarHBondContact O-N 2.93Å
471A27.1Very low28.3Very low94 Ų94135.6 Ų135.678%0.77776%0.763SS**  trans-73.174158.700000108.4V469 D473V469-A471 PolarHBondContact O-N 2.85Å; A471-D473 PolarHBondContact O-N 3.36Å; A471-D473 VanDerWaalsContact O-N 3.08Å
472N26.3Very low29Very low152 Ų152136.6 Ų136.681%0.81376%0.764SS**  trans-76.464.5152.5-83.4-27.2000108D470D470-N472 PolarHBondContact O-N 2.93Å
473D28.4Very low29.6Very low145 Ų145137.4 Ų137.478%0.77576%0.76SS**  trans-95.6101.4161.1-160.16.2000106.8A471 G475A471-D473 PolarHBondContact O-N 3.36Å; A471-D473 VanDerWaalsContact O-N 3.08Å; D473-G475 PolarHBondContact O-N 3.06Å; D473-G475 VanDerWaalsContact O-N 3.15Å
474T32.5Very low30.7Very low125 Ų125133.1 Ų133.177%0.76774%0.743SS**  trans-59.3116.4-178.142.60000109.5F476T474-F476 PolarHBondContact O-N 3.12Å
475G30.7Very low31.9Very low70 Ų70130.3 Ų130.372%0.72273%0.726SS**  trans-48.1128.9-178.700000113.7D473 R477D473-G475 PolarHBondContact O-N 3.06Å; D473-G475 VanDerWaalsContact O-N 3.15Å; G475-R477 VanDerWaalsContact C-N 3.29Å; G475-R477 PolarHBondContact O-N 3.07Å
476F27.3Very low33.2Very low188 Ų188126.9 Ų126.983%0.82571%0.711SS**  trans-65.688.9164.9-163.6-95000108.8T474 S478T474-F476 PolarHBondContact O-N 3.12Å; F476-S478 PolarHBondContact O-N 3.11Å
477R32.7Very low35.1Very low239 Ų239125.8 Ų125.890%0.90270%0.701SS**  trans-78.4109.2164.7-96.4-178.5161.1-177.8-5.5108.3G475 D479G475-R477 VanDerWaalsContact C-N 3.29Å; G475-R477 PolarHBondContact O-N 3.07Å; R477-D479 PolarHBondContact O-N 3.35Å
478S29.2Very low37.6Very low92 Ų92125.3 Ų125.364%0.64369%0.693SS**  trans-76.197.7159.355.90000108.3F476F476-S478 PolarHBondContact O-N 3.11Å
479D29Very low40.2Very low148 Ų148121.8 Ų121.879%0.79167%0.674SS**  trans-165.2119.5157.7-97.3-26.8000109.8R477R477-D479 PolarHBondContact O-N 3.35Å
480V32.6Very low43.1Very low114 Ų114117 Ų11769%0.69164%0.642SS**  trans83.7116.8152.6-167.10000118.6
481D32.6Very low46.1Very low107 Ų107115 Ų11557%0.57263%0.631SS**  trans115.1102.6152.9-69.2-24.1000117.3T483 N484D481-T483 PolarHBondContact O-N 3.33Å; D481-N484 PolarHBondContact O-N 2.87Å; D481-N484 VanDerWaalsContact O-N 3.11Å
482E41Very low49Very low185 Ų185114.7 Ų114.786%0.86462%0.616SS**G310 helixtrans-56.5-16.8171.4-76.5-178151.800113.2S485E482-S485 PolarHBondContact O-OG 2.93Å
483T40.5Very low52.2Low106 Ų106107.5 Ų107.565%0.6558%0.577SS**G310 helixtrans-75.4-18.6176.747.10000114D481D481-T483 PolarHBondContact O-N 3.33Å
484N47.6Very low55.2Low85 Ų85102 Ų10246%0.45555%0.547SS..G310 helixtrans-86.5-6.5176.8-82.4-25.9000114.1D481 K488D481-N484 PolarHBondContact O-N 2.87Å; D481-N484 VanDerWaalsContact O-N 3.11Å; N484-K488 WeakPolarHBondContact O-CG 3.28Å; N484-K488 PolarHBondContact O-N 3.13Å
485S52.7Low58Low56 Ų5699 Ų9939%0.39253%0.531SS..Hα-helixtrans-68.5-44-179.661.10000111.9E482 D487 K488 D489E482-S485 PolarHBondContact O-OG 2.93Å; S485-D487 VanDerWaalsContact C-N 3.33Å; S485-D487 PolarHBondContact O-N 2.65Å; S485-K488 WeakPolarHBondContact O-CB 3.33Å; S485-K488 PolarHBondContact O-N 3.17Å; S485-K488 VanDerWaalsContact O-N 3.13Å; S485-D489 PolarHBondContact O-N 2.93Å
486V53.3Low60.9Low86 Ų8698.6 Ų98.652%0.52151%0.51SS..Hα-helixtrans-63.4-38.5-176.7-175.20000111.9Y490V486-Y490 WeakPolarHBondContact O-CB 3.33Å; V486-Y490 PolarHBondContact O-N 3.03Å; V486-Y490 VanDerWaalsContact O-N 3.1Å
487D68.7Low64.1Low98 Ų9889.6 Ų89.652%0.52447%0.471SS..Hα-helixtrans-74.1-32.1177-77.4-18.2000112.1S485 N491S485-D487 VanDerWaalsContact C-N 3.33Å; S485-D487 PolarHBondContact O-N 2.65Å; D487-N491 WeakPolarHBondContact O-CB 3.28Å; D487-N491 PolarHBondContact O-N 3.3Å; D487-N491 PolarHBondContact O-ND2 2.91Å
488K77.4Confident66.9Low125 Ų12581.7 Ų81.754%0.54344%0.443SS..Hα-helixtrans-65.6-46.8173.9-76.3178.2-178.8-177.10111.4N484 S485 Y490 N491 L492N484-K488 WeakPolarHBondContact O-CG 3.28Å; N484-K488 PolarHBondContact O-N 3.13Å; S485-K488 WeakPolarHBondContact O-CB 3.33Å; S485-K488 PolarHBondContact O-N 3.17Å; S485-K488 VanDerWaalsContact O-N 3.13Å; K488-Y490 PolarHBondContact O-N 2.98Å; K488-N491 PolarHBondContact O-N 3.2Å; K488-L492 WeakPolarHBondContact O-CG 3.43Å; K488-L492 PolarHBondContact O-N 3.07Å
489D81.6Confident69.9Low72 Ų7283.4 Ų83.439%0.38544%0.441SS..Hα-helixtrans-65.4-39.7-179.7-65.7-19.5000111.4S485 L492 F493S485-D489 PolarHBondContact O-N 2.93Å; D489-L492 PolarHBondContact O-N 2.98Å; D489-F493 WeakPolarHBondContact O-CB 3.29Å; D489-F493 PolarHBondContact O-N 3.33Å
490Y87.8Confident72.9Confident31 Ų3177.1 Ų77.112%0.12241%0.409CS..Hα-helixtrans-64.6-40173.9179.6-101.5000112.6V486 K488 F493 F494 Q531 A535 Q538V486-Y490 WeakPolarHBondContact O-CB 3.33Å; V486-Y490 PolarHBondContact O-N 3.03Å; V486-Y490 VanDerWaalsContact O-N 3.1Å; K488-Y490 PolarHBondContact O-N 2.98Å; Y490-F493 HydrophobicContact CD2-CD1 4.28Å; Y490-F493 HydrophobicContact CE2-CD1 4.36Å; Y490-F493 PolarHBondContact O-N 3.01Å; Y490-F494 WeakPolarHBondContact O-CB 3.44Å; Y490-F494 PolarHBondContact O-N 3.31Å; Y490-Q531 HydrophobicContact CD2-CB 3.76Å; Y490-Q531 HydrophobicContact CD2-CG 3.75Å; Y490-Q531 HydrophobicContact CE2-CB 3.58Å; Y490-Q531 HydrophobicContact CE2-CG 3.8Å; Y490-A535 HydrophobicContact CE2-CB 4.47Å; Y490-Q538 PolarHBondContact OH-OE1 3Å; Y490-Q538 VanDerWaalsContact OH-OE1 3.04Å
491N88.4Confident75.7Confident97 Ų9771.8 Ų71.852%0.51938%0.376SS..Hα-helixtrans-67.3-40.4178.8-74.3-36.4000112D487 K488 F494 S495D487-N491 WeakPolarHBondContact O-CB 3.28Å; D487-N491 PolarHBondContact O-N 3.3Å; D487-N491 PolarHBondContact O-ND2 2.91Å; K488-N491 PolarHBondContact O-N 3.2Å; N491-F494 PolarHBondContact O-N 2.96Å; N491-S495 PolarHBondContact O-N 3.25Å; N491-S495 PolarHBondContact O-OG 3.3Å
492L88.9Confident78.5Confident88 Ų8869 Ų6946%0.46137%0.365SS..Hα-helixtrans-63.4-46.2173.8-71.3170.9000111.3K488 D489 F494 S495 E496 Y525K488-L492 WeakPolarHBondContact O-CG 3.43Å; K488-L492 PolarHBondContact O-N 3.07Å; D489-L492 PolarHBondContact O-N 2.98Å; L492-F494 VanDerWaalsContact C-N 3.33Å; L492-F494 PolarHBondContact O-N 2.79Å; L492-S495 WeakPolarHBondContact CA-OG 3.11Å; L492-S495 PolarHBondContact O-N 3.25Å; L492-S495 PolarHBondContact O-OG 3.33Å; L492-E496 PolarHBondContact O-N 2.53Å; L492-Y525 HydrophobicContact CB-CD1 4.03Å; L492-Y525 HydrophobicContact CB-CE1 3.53Å; L492-Y525 HydrophobicContact CD1-CE1 4.23Å
493F92.7Very high80.8Confident0 Ų064.6 Ų64.60%034%0.344CS..Hα-helixtrans-56.1-46.2172.8168.4-103.8000112D489 Y490 S495 E496 V497 K522 Y525 V527 V532 A535D489-F493 WeakPolarHBondContact O-CB 3.29Å; D489-F493 PolarHBondContact O-N 3.33Å; Y490-F493 HydrophobicContact CD2-CD1 4.28Å; Y490-F493 HydrophobicContact CE2-CD1 4.36Å; Y490-F493 PolarHBondContact O-N 3.01Å; F493-S495 PolarHBondContact O-N 3.41Å; F493-E496 PolarHBondContact O-N 3.36Å; F493-V497 HydrophobicContact CD2-CG2 3.96Å; F493-V497 HydrophobicContact CE1-CG2 4.06Å; F493-V497 HydrophobicContact CE2-CG2 3.42Å; F493-V497 VanDerWaalsContact CE2-CG2 3.42Å; F493-V497 HydrophobicContact CG-CG2 4.48Å; F493-V497 HydrophobicContact CZ-CG2 3.47Å; F493-V497 VanDerWaalsContact CZ-CG2 3.47Å; F493-V497 WeakPolarHBondContact O-CG2 3.41Å; F493-V497 PolarHBondContact O-N 3.24Å; F493-K522 HydrophobicContact CE2-CB 4.26Å; F493-Y525 HydrophobicContact CB-CD2 3.66Å; F493-Y525 HydrophobicContact CB-CE2 4.38Å; F493-Y525 HydrophobicContact CB-CG 3.86Å; F493-Y525 HydrophobicContact CD2-CD2 4.02Å; F493-Y525 HydrophobicContact CG-CD2 4.35Å; F493-V527 HydrophobicContact CB-CG1 4.06Å; F493-V527 HydrophobicContact CD1-CB 4.46Å; F493-V527 HydrophobicContact CD1-CG1 4.2Å; F493-V527 HydrophobicContact CD1-CG2 3.87Å; F493-V527 HydrophobicContact CD2-CG2 3.68Å; F493-V527 HydrophobicContact CE1-CG2 3.92Å; F493-V527 HydrophobicContact CE2-CG2 3.74Å; F493-V527 HydrophobicContact CG-CB 4.5Å; F493-V527 HydrophobicContact CG-CG1 4.06Å; F493-V527 HydrophobicContact CG-CG2 3.74Å; F493-V527 HydrophobicContact CZ-CG2 3.87Å; F493-V532 HydrophobicContact CE1-CG2 4.34Å; F493-V532 HydrophobicContact CZ-CB 4.26Å; F493-V532 HydrophobicContact CZ-CG1 4.32Å; F493-V532 HydrophobicContact CZ-CG2 3.75Å; F493-A535 HydrophobicContact CD1-CB 4.32Å; F493-A535 HydrophobicContact CE1-CB 3.64Å
494F92.9Very high83.1Confident31 Ų3159.8 Ų59.814%0.13632%0.315CS..Hα-helixtrans-62.8-41.1179.9178.9-105.3000112.1Y490 N491 L492 K498 A535 Q538 C539Y490-F494 WeakPolarHBondContact O-CB 3.44Å; Y490-F494 PolarHBondContact O-N 3.31Å; N491-F494 PolarHBondContact O-N 2.96Å; L492-F494 VanDerWaalsContact C-N 3.33Å; L492-F494 PolarHBondContact O-N 2.79Å; F494-K498 HydrophobicContact CE1-CD 4.45Å; F494-K498 VanDerWaalsContact O-CB 3.3Å; F494-K498 WeakPolarHBondContact O-CB 3.36Å; F494-K498 PolarHBondContact O-N 3.13Å; F494-A535 HydrophobicContact CD2-CB 3.86Å; F494-Q538 HydrophobicContact CE2-CB 3.54Å; F494-Q538 HydrophobicContact CZ-CB 3.97Å; F494-C539 HydrophobicContact CE2-CB 4.36Å
495S91.2Very high85Confident62 Ų6257.5 Ų57.543%0.43430%0.303SS..Hα-helixtrans-62.8-43.2175.246.10000112.6N491 L492 F493 K498 E499N491-S495 PolarHBondContact O-N 3.25Å; N491-S495 PolarHBondContact O-OG 3.3Å; L492-S495 WeakPolarHBondContact CA-OG 3.11Å; L492-S495 PolarHBondContact O-N 3.25Å; L492-S495 PolarHBondContact O-OG 3.33Å; F493-S495 PolarHBondContact O-N 3.41Å; S495-K498 PolarHBondContact O-N 3.01Å; S495-E499 PolarHBondContact O-N 3.49Å
496E91.6Very high86.7Confident60 Ų6058.8 Ų58.828%0.2832%0.317SS..Hα-helixtrans-68.1-41.4-179.2-168.8175.8129.200111.9L492 F493 K498 E499 S500 S521 Y525L492-E496 PolarHBondContact O-N 2.53Å; F493-E496 PolarHBondContact O-N 3.36Å; E496-K498 VanDerWaalsContact C-N 3.32Å; E496-K498 PolarHBondContact O-N 3.3Å; E496-E499 PolarHBondContact O-N 3.04Å; E496-S500 WeakPolarHBondContact O-CB 3.43Å; E496-S500 PolarHBondContact O-N 3.18Å; E496-S500 PolarHBondContact O-OG 3.47Å; E496-S521 WeakPolarHBondContact OE1-CB 3.49Å; E496-S521 PolarHBondContact OE1-OG 2.94Å; E496-Y525 HydrophobicContact CB-CE2 4.4Å; E496-Y525 WeakPolarHBondContact OE2-CE2 3.1Å; E496-Y525 VanDerWaalsContact OE2-CZ 3.25Å; E496-Y525 PolarHBondContact OE2-OH 3.31Å
497V92.9Very high88.4Confident0 Ų060.6 Ų60.60%032%0.32CS..Hα-helixtrans-63.1-40.7173.7170.60000110.8F493 S500 V501 I518 L536F493-V497 HydrophobicContact CD2-CG2 3.96Å; F493-V497 HydrophobicContact CE1-CG2 4.06Å; F493-V497 HydrophobicContact CE2-CG2 3.42Å; F493-V497 VanDerWaalsContact CE2-CG2 3.42Å; F493-V497 HydrophobicContact CG-CG2 4.48Å; F493-V497 HydrophobicContact CZ-CG2 3.47Å; F493-V497 VanDerWaalsContact CZ-CG2 3.47Å; F493-V497 WeakPolarHBondContact O-CG2 3.41Å; F493-V497 PolarHBondContact O-N 3.24Å; V497-S500 PolarHBondContact O-N 2.98Å; V497-V501 HydrophobicContact CG1-CG2 4.11Å; V497-V501 WeakPolarHBondContact O-CB 3.46Å; V497-V501 WeakPolarHBondContact O-CG2 3.37Å; V497-V501 PolarHBondContact O-N 3.34Å; V497-I518 HydrophobicContact CG1-CG1 4.39Å; V497-I518 HydrophobicContact CG2-CG2 4.45Å; V497-L536 HydrophobicContact CG1-CD2 4.32Å
498K92.7Very high89.3Confident72 Ų7260.8 Ų60.831%0.31333%0.329SS..Hα-helixtrans-63.3-43.7178.2-175.3175-179171.10111.8F494 S495 E496 S502F494-K498 HydrophobicContact CE1-CD 4.45Å; F494-K498 VanDerWaalsContact O-CB 3.3Å; F494-K498 WeakPolarHBondContact O-CB 3.36Å; F494-K498 PolarHBondContact O-N 3.13Å; S495-K498 PolarHBondContact O-N 3.01Å; E496-K498 VanDerWaalsContact C-N 3.32Å; E496-K498 PolarHBondContact O-N 3.3Å; K498-S502 WeakPolarHBondContact O-CB 3.49Å; K498-S502 PolarHBondContact O-N 2.9Å; K498-S502 PolarHBondContact O-OG 3.49Å; K498-S502 VanDerWaalsContact O-OG 3.14Å
499E91.8Very high89.9Confident128 Ų12856.6 Ų56.660%0.59831%0.314SS*.Hα-helixtrans-62.2-52.7175.8-171.9168.3-16600110.8S495 E496 V501 S502 Q503S495-E499 PolarHBondContact O-N 3.49Å; E496-E499 PolarHBondContact O-N 3.04Å; E499-V501 PolarHBondContact O-N 3.23Å; E499-S502 PolarHBondContact O-N 3.04Å; E499-S502 VanDerWaalsContact O-N 3.1Å; E499-S502 PolarHBondContact O-OG 2.82Å; E499-Q503 WeakPolarHBondContact O-CB 3.33Å; E499-Q503 PolarHBondContact O-N 3.44Å
500S91.9Very high90.4Very high17 Ų1757.1 Ų57.112%0.11932%0.321CS..Hα-helixtrans-56.9-46-179.5-54.70000112.4E496 V497 G504E496-S500 WeakPolarHBondContact O-CB 3.43Å; E496-S500 PolarHBondContact O-N 3.18Å; E496-S500 PolarHBondContact O-OG 3.47Å; V497-S500 PolarHBondContact O-N 2.98Å; S500-G504 WeakPolarHBondContact O-CA 3.25Å; S500-G504 PolarHBondContact O-N 3.24Å
501V91.8Very high90.5Very high2 Ų257.3 Ų57.31%0.01233%0.327CS..Hα-helixtrans-69.2-39.2178.4176.90000111V497 E499 I505 I514 I518 L536 L543 L565V497-V501 HydrophobicContact CG1-CG2 4.11Å; V497-V501 WeakPolarHBondContact O-CB 3.46Å; V497-V501 WeakPolarHBondContact O-CG2 3.37Å; V497-V501 PolarHBondContact O-N 3.34Å; E499-V501 PolarHBondContact O-N 3.23Å; V501-I505 HydrophobicContact CG1-CD1 4.13Å; V501-I505 WeakPolarHBondContact O-CG1 3.48Å; V501-I505 PolarHBondContact O-N 2.7Å; V501-I514 HydrophobicContact CG2-CG2 4.27Å; V501-I518 HydrophobicContact CG2-CD1 4.35Å; V501-L536 HydrophobicContact CG2-CD2 4.45Å; V501-L543 HydrophobicContact CG1-CD1 3.78Å; V501-L565 HydrophobicContact CG1-CD1 3.59Å; V501-L565 HydrophobicContact CG1-CD2 3.73Å; V501-L565 HydrophobicContact CG1-CG 4.29Å
502S90.9Very high90.7Very high48 Ų4859.7 Ų59.734%0.33634%0.335SS..Hα-helixtrans-66.2-44.9178.773.30000112.5K498 E499 I505 A506K498-S502 WeakPolarHBondContact O-CB 3.49Å; K498-S502 PolarHBondContact O-N 2.9Å; K498-S502 PolarHBondContact O-OG 3.49Å; K498-S502 VanDerWaalsContact O-OG 3.14Å; E499-S502 PolarHBondContact O-N 3.04Å; E499-S502 VanDerWaalsContact O-N 3.1Å; E499-S502 PolarHBondContact O-OG 2.82Å; S502-I505 PolarHBondContact O-N 2.78Å; S502-A506 WeakPolarHBondContact O-CB 3.35Å; S502-A506 PolarHBondContact O-N 3.29Å
503Q89.6Confident90.9Very high93 Ų9358.9 Ų58.944%0.43533%0.331SS..Hα-helixtrans-67.5-43.2176.2-174.1175.59.600110.5E499 I505 A506 E507E499-Q503 WeakPolarHBondContact O-CB 3.33Å; E499-Q503 PolarHBondContact O-N 3.44Å; Q503-I505 VanDerWaalsContact C-N 3.26Å; Q503-I505 PolarHBondContact O-N 2.98Å; Q503-A506 PolarHBondContact O-N 3.16Å; Q503-A506 VanDerWaalsContact O-N 3.08Å; Q503-E507 HydrophobicContact CG-CG 4.2Å; Q503-E507 WeakPolarHBondContact CG-OE1 3.26Å; Q503-E507 PolarHBondContact NE2-OE1 3.39Å; Q503-E507 WeakPolarHBondContact O-CB 3.43Å; Q503-E507 PolarHBondContact O-N 2.68Å
504G88.9Confident90.9Very high4 Ų459.2 Ų59.24%0.04133%0.333CS..Hα-helixtrans-56.8-39.4176.900000112.9S500 S508 V509S500-G504 WeakPolarHBondContact O-CA 3.25Å; S500-G504 PolarHBondContact O-N 3.24Å; G504-S508 WeakPolarHBondContact O-CA 3.49Å; G504-S508 PolarHBondContact O-N 2.9Å; G504-S508 VanDerWaalsContact O-N 3.11Å; G504-V509 PolarHBondContact O-N 2.72Å
505I87.7Confident91Very high38 Ų3859 Ų5920%0.19533%0.332CS..Hα-helixtrans-69.5-47.2173-74.2164.8000111.6V501 S502 Q503 E507 S508 L543 V561 Q564 L565V501-I505 HydrophobicContact CG1-CD1 4.13Å; V501-I505 WeakPolarHBondContact O-CG1 3.48Å; V501-I505 PolarHBondContact O-N 2.7Å; S502-I505 PolarHBondContact O-N 2.78Å; Q503-I505 VanDerWaalsContact C-N 3.26Å; Q503-I505 PolarHBondContact O-N 2.98Å; I505-E507 VanDerWaalsContact C-N 3.35Å; I505-E507 PolarHBondContact O-N 2.97Å; I505-S508 PolarHBondContact O-N 3.29Å; I505-L543 HydrophobicContact CD1-CD1 3.66Å; I505-V561 HydrophobicContact CD1-CG1 4.04Å; I505-Q564 HydrophobicContact CG1-CB 4.47Å; I505-L565 HydrophobicContact CD1-CD1 4.06Å; I505-L565 HydrophobicContact CD1-CD2 4Å; I505-L565 HydrophobicContact CD1-CG 3.96Å; I505-L565 HydrophobicContact CG1-CD2 4.06Å; I505-L565 HydrophobicContact CG1-CG 4.42Å
506A87.9Confident91.1Very high83 Ų8361.5 Ų61.569%0.68634%0.34SS*.Hα-helixtrans-63.4-40.2-176.300000112.5S502 Q503S502-A506 WeakPolarHBondContact O-CB 3.35Å; S502-A506 PolarHBondContact O-N 3.29Å; Q503-A506 PolarHBondContact O-N 3.16Å; Q503-A506 VanDerWaalsContact O-N 3.08Å
507E90.2Very high91.2Very high124 Ų12462.3 Ų62.358%0.57934%0.344SS*.THydrogen-bonded Turntrans-92.3-1.4-179-64.8179.7-170.300113.1Q503 I505 V509Q503-E507 HydrophobicContact CG-CG 4.2Å; Q503-E507 WeakPolarHBondContact CG-OE1 3.26Å; Q503-E507 PolarHBondContact NE2-OE1 3.39Å; Q503-E507 WeakPolarHBondContact O-CB 3.43Å; Q503-E507 PolarHBondContact O-N 2.68Å; I505-E507 VanDerWaalsContact C-N 3.35Å; I505-E507 PolarHBondContact O-N 2.97Å; E507-V509 VanDerWaalsContact C-N 3.31Å; E507-V509 HydrophobicContact CB-CG2 3.9Å; E507-V509 PolarHBondContact O-N 3.41Å
508S87.5Confident91.3Very high101 Ų10162.3 Ų62.371%0.70634%0.344SS*.THydrogen-bonded Turntrans54.643.5-176.3-58.50000113.3G504 I505G504-S508 WeakPolarHBondContact O-CA 3.49Å; G504-S508 PolarHBondContact O-N 2.9Å; G504-S508 VanDerWaalsContact O-N 3.11Å; I505-S508 PolarHBondContact O-N 3.29Å
509V89.2Confident91.3Very high38 Ų3861.1 Ų61.123%0.2334%0.341CS..  trans-65.3141.2179.9-179.80000110.4G504 E507 S511 N513 I514G504-V509 PolarHBondContact O-N 2.72Å; E507-V509 VanDerWaalsContact C-N 3.31Å; E507-V509 HydrophobicContact CB-CG2 3.9Å; E507-V509 PolarHBondContact O-N 3.41Å; V509-S511 PolarHBondContact O-N 2.89Å; V509-N513 HydrophobicContact CG1-CB 3.82Å; V509-I514 HydrophobicContact CB-CG1 4.43Å; V509-I514 HydrophobicContact CG1-CG1 4.34Å
510P92.1Very high91.3Very high82 Ų8258.2 Ų58.253%0.53234%0.335SS..  trans-54.7133.6174.6-26.234.7000112.6E512 N513 I514P510-E512 PolarHBondContact O-N 3.33Å; P510-E512 VanDerWaalsContact O-N 3.07Å; P510-N513 WeakPolarHBondContact O-CB 3.44Å; P510-N513 PolarHBondContact O-N 3.44Å; P510-I514 PolarHBondContact O-N 2.66Å
511S90.4Very high91.4Very high36 Ų3657.4 Ų57.425%0.25233%0.33SS..Hα-helixtrans-57.3-27.1-176.259.30000115V509 N513 I514 I515 P567V509-S511 PolarHBondContact O-N 2.89Å; S511-N513 VanDerWaalsContact C-N 3.34Å; S511-I514 PolarHBondContact O-N 2.96Å; S511-I515 WeakPolarHBondContact O-CD1 3.41Å; S511-I515 VanDerWaalsContact O-CG1 3.24Å; S511-I515 WeakPolarHBondContact O-CG1 3.34Å; S511-I515 PolarHBondContact O-N 3.04Å; S511-P567 WeakPolarHBondContact OG-CB 3.43Å
512E92.3Very high91.5Very high146 Ų14659.5 Ų59.568%0.68234%0.339SS*.Hα-helixtrans-63.5-38.3174.9-66.1178.4-178.300112.2P510 I515 L516P510-E512 PolarHBondContact O-N 3.33Å; P510-E512 VanDerWaalsContact O-N 3.07Å; E512-I515 PolarHBondContact O-N 2.89Å; E512-L516 WeakPolarHBondContact O-CG 3.4Å; E512-L516 PolarHBondContact O-N 2.73Å
513N93.2Very high91.4Very high72 Ų7263.9 Ų63.939%0.38535%0.353SS..Hα-helixtrans-69.6-42.4178.2-66.4-6.9000110.8V509 P510 S511 I515 L516 E517V509-N513 HydrophobicContact CG1-CB 3.82Å; P510-N513 WeakPolarHBondContact O-CB 3.44Å; P510-N513 PolarHBondContact O-N 3.44Å; S511-N513 VanDerWaalsContact C-N 3.34Å; N513-I515 VanDerWaalsContact C-N 3.27Å; N513-I515 PolarHBondContact O-N 2.59Å; N513-L516 WeakPolarHBondContact O-CB 3.46Å; N513-L516 PolarHBondContact O-N 3.22Å; N513-E517 WeakPolarHBondContact O-CG 3.47Å; N513-E517 PolarHBondContact O-N 3.18Å
514I93.4Very high91.5Very high6 Ų663 Ų633%0.03136%0.362CS..Hα-helixtrans-59.5-41.7175.2-57.8174.9000110V501 V509 P510 S511 L516 E517 I518 V568V501-I514 HydrophobicContact CG2-CG2 4.27Å; V509-I514 HydrophobicContact CB-CG1 4.43Å; V509-I514 HydrophobicContact CG1-CG1 4.34Å; P510-I514 PolarHBondContact O-N 2.66Å; S511-I514 PolarHBondContact O-N 2.96Å; I514-L516 VanDerWaalsContact C-N 3.34Å; I514-L516 PolarHBondContact O-N 3.03Å; I514-E517 PolarHBondContact O-N 3.4Å; I514-I518 HydrophobicContact CG2-CD1 3.85Å; I514-I518 WeakPolarHBondContact O-CD1 3.48Å; I514-I518 VanDerWaalsContact O-CG1 3.26Å; I514-I518 WeakPolarHBondContact O-CG1 3.25Å; I514-I518 PolarHBondContact O-N 3.42Å; I514-V568 HydrophobicContact CB-CG2 4.33Å; I514-V568 HydrophobicContact CG2-CG2 4.23Å
515I94.2Very high91.5Very high26 Ų2665.6 Ų65.613%0.13337%0.371CS..Hα-helixtrans-62.8-40.3175.6-69.2161.9000111.4S511 E512 N513 N519 V568 N571 Y572S511-I515 WeakPolarHBondContact O-CD1 3.41Å; S511-I515 VanDerWaalsContact O-CG1 3.24Å; S511-I515 WeakPolarHBondContact O-CG1 3.34Å; S511-I515 PolarHBondContact O-N 3.04Å; E512-I515 PolarHBondContact O-N 2.89Å; N513-I515 VanDerWaalsContact C-N 3.27Å; N513-I515 PolarHBondContact O-N 2.59Å; I515-N519 WeakPolarHBondContact CG2-ND2 3.44Å; I515-N519 WeakPolarHBondContact O-CB 3.48Å; I515-N519 PolarHBondContact O-N 2.75Å; I515-N519 VanDerWaalsContact O-N 3.07Å; I515-N519 PolarHBondContact O-ND2 2.93Å; I515-V568 HydrophobicContact CG1-CB 4.39Å; I515-V568 HydrophobicContact CG1-CG1 4.07Å; I515-V568 HydrophobicContact CG1-CG2 4.2Å; I515-N571 HydrophobicContact CD1-CB 3.76Å; I515-N571 HydrophobicContact CG1-CB 4.42Å; I515-N571 WeakPolarHBondContact CG2-ND2 3.13Å; I515-Y572 HydrophobicContact CG1-CE2 4.3Å; I515-Y572 HydrophobicContact CG2-CE2 4.46Å; I515-Y572 PolarHBondContact O-OH 2.8Å
516L93.1Very high91.5Very high115 Ų11570.9 Ų70.960%0.60240%0.4SS*.Hα-helixtrans-66.1-43.9177.5-73.3171.7000111.9E512 N513 I514 N519 S520E512-L516 WeakPolarHBondContact O-CG 3.4Å; E512-L516 PolarHBondContact O-N 2.73Å; N513-L516 WeakPolarHBondContact O-CB 3.46Å; N513-L516 PolarHBondContact O-N 3.22Å; I514-L516 VanDerWaalsContact C-N 3.34Å; I514-L516 PolarHBondContact O-N 3.03Å; L516-N519 PolarHBondContact O-N 3.4Å; L516-S520 WeakPolarHBondContact O-CB 3.48Å; L516-S520 PolarHBondContact O-N 3.4Å
517E93.7Very high91.6Very high77 Ų7767.4 Ų67.436%0.3637%0.37SS..Hα-helixtrans-58.7-52.1176.2-74.5169.8-165.600110.7N513 I514 N519 S520 S521N513-E517 WeakPolarHBondContact O-CG 3.47Å; N513-E517 PolarHBondContact O-N 3.18Å; I514-E517 PolarHBondContact O-N 3.4Å; E517-N519 VanDerWaalsContact C-N 3.29Å; E517-N519 PolarHBondContact O-N 3.06Å; E517-S520 WeakPolarHBondContact O-CA 3.39Å; E517-S520 WeakPolarHBondContact O-CB 3.23Å; E517-S520 PolarHBondContact O-N 3.38Å; E517-S520 PolarHBondContact O-OG 3.35Å; E517-S521 PolarHBondContact O-N 3.15Å; E517-S521 PolarHBondContact O-OG 3.35Å; E517-S521 VanDerWaalsContact O-OG 3.09Å
518I94.1Very high91.6Very high0 Ų065 Ų650%036%0.364CS..Hα-helixtrans-57.9-41.8178-64.4157.6000111.6V497 V501 I514 S521 K522 V532 L536 V568 Y572V497-I518 HydrophobicContact CG1-CG1 4.39Å; V497-I518 HydrophobicContact CG2-CG2 4.45Å; V501-I518 HydrophobicContact CG2-CD1 4.35Å; I514-I518 HydrophobicContact CG2-CD1 3.85Å; I514-I518 WeakPolarHBondContact O-CD1 3.48Å; I514-I518 VanDerWaalsContact O-CG1 3.26Å; I514-I518 WeakPolarHBondContact O-CG1 3.25Å; I514-I518 PolarHBondContact O-N 3.42Å; I518-S521 PolarHBondContact O-N 2.86Å; I518-K522 WeakPolarHBondContact O-CB 3.14Å; I518-K522 PolarHBondContact O-N 3.14Å; I518-V532 HydrophobicContact CG2-CG1 3.67Å; I518-L536 HydrophobicContact CD1-CD2 3.76Å; I518-V568 HydrophobicContact CD1-CG1 4Å; I518-Y572 HydrophobicContact CD1-CE2 4.19Å; I518-Y572 HydrophobicContact CG2-CE2 4.38Å; I518-Y572 VanDerWaalsContact CG2-OH 3.31Å; I518-Y572 WeakPolarHBondContact CG2-OH 3.18Å
519N92.7Very high91.8Very high47 Ų4763 Ų6325%0.25135%0.345SS..Hα-helixtrans-67.2-37177.1-77.7-48.3000111.9I515 L516 E517 K522 H523 Y572I515-N519 WeakPolarHBondContact CG2-ND2 3.44Å; I515-N519 WeakPolarHBondContact O-CB 3.48Å; I515-N519 PolarHBondContact O-N 2.75Å; I515-N519 VanDerWaalsContact O-N 3.07Å; I515-N519 PolarHBondContact O-ND2 2.93Å; L516-N519 PolarHBondContact O-N 3.4Å; E517-N519 VanDerWaalsContact C-N 3.29Å; E517-N519 PolarHBondContact O-N 3.06Å; N519-K522 WeakPolarHBondContact O-CB 3.46Å; N519-K522 PolarHBondContact O-N 3.14Å; N519-H523 PolarHBondContact O-CD2 3.31Å; N519-H523 PolarHBondContact O-N 3.04Å; N519-H523 VanDerWaalsContact O-N 3.11Å; N519-Y572 PolarHBondContact ND2-OH 3.22Å; N519-Y572 PolarHBondContact OD1-OH 3.26Å
520S93.4Very high91.9Very high67 Ų6764.4 Ų64.447%0.46935%0.349SS..Hα-helixtrans-64.4-45.6175.778.30000111.3L516 E517 K522 H523 A524L516-S520 WeakPolarHBondContact O-CB 3.48Å; L516-S520 PolarHBondContact O-N 3.4Å; E517-S520 WeakPolarHBondContact O-CA 3.39Å; E517-S520 WeakPolarHBondContact O-CB 3.23Å; E517-S520 PolarHBondContact O-N 3.38Å; E517-S520 PolarHBondContact O-OG 3.35Å; S520-K522 VanDerWaalsContact C-N 3.34Å; S520-K522 PolarHBondContact O-N 3.28Å; S520-H523 PolarHBondContact O-N 3.21Å; S520-H523 VanDerWaalsContact O-N 3.13Å; S520-A524 PolarHBondContact O-N 3.06Å
521S93.1Very high91.9Very high1 Ų162.6 Ų62.61%0.00733%0.333CS..Hα-helixtrans-64.6-39.4176.3-47.10000111E496 E517 I518 H523 A524 Y525E496-S521 WeakPolarHBondContact OE1-CB 3.49Å; E496-S521 PolarHBondContact OE1-OG 2.94Å; E517-S521 PolarHBondContact O-N 3.15Å; E517-S521 PolarHBondContact O-OG 3.35Å; E517-S521 VanDerWaalsContact O-OG 3.09Å; I518-S521 PolarHBondContact O-N 2.86Å; S521-H523 VanDerWaalsContact C-N 3.25Å; S521-H523 PolarHBondContact O-N 2.96Å; S521-A524 PolarHBondContact O-N 2.81Å; S521-A524 VanDerWaalsContact O-N 3.14Å; S521-Y525 VanDerWaalsContact O-CD2 3.25Å; S521-Y525 WeakPolarHBondContact O-CD2 3.36Å; S521-Y525 PolarHBondContact O-N 3.24Å
522K93Very high92Very high46 Ų4660.9 Ų60.920%0.232%0.321CS..Hα-helixtrans-55.5-43.6173.8178.3-155.7169.5-159.60111.3F493 I518 N519 S520 N526 V527 I529 V532F493-K522 HydrophobicContact CE2-CB 4.26Å; I518-K522 WeakPolarHBondContact O-CB 3.14Å; I518-K522 PolarHBondContact O-N 3.14Å; N519-K522 WeakPolarHBondContact O-CB 3.46Å; N519-K522 PolarHBondContact O-N 3.14Å; S520-K522 VanDerWaalsContact C-N 3.34Å; S520-K522 PolarHBondContact O-N 3.28Å; K522-N526 WeakPolarHBondContact O-CA 2.8Å; K522-N526 PolarHBondContact O-N 3.13Å; K522-N526 VanDerWaalsContact O-N 3.16Å; K522-V527 HydrophobicContact CB-CG2 4.15Å; K522-V527 HydrophobicContact CG-CG2 3.93Å; K522-V527 WeakPolarHBondContact CG-O 3.19Å; K522-V527 PolarHBondContact O-N 2.95Å; K522-I529 HydrophobicContact CD-CD1 4.28Å; K522-V532 HydrophobicContact CB-CG2 4Å; K522-V532 HydrophobicContact CD-CG2 3.97Å; K522-V532 HydrophobicContact CG-CG2 3.66Å
523H89.8Confident92.1Very high139 Ų13955.3 Ų55.364%0.64429%0.294SS*.Hα-helixtrans-72.3-36.5177.4-72.6-60.3000112.8N519 S520 S521 N526N519-H523 PolarHBondContact O-CD2 3.31Å; N519-H523 PolarHBondContact O-N 3.04Å; N519-H523 VanDerWaalsContact O-N 3.11Å; S520-H523 PolarHBondContact O-N 3.21Å; S520-H523 VanDerWaalsContact O-N 3.13Å; S521-H523 VanDerWaalsContact C-N 3.25Å; S521-H523 PolarHBondContact O-N 2.96Å; H523-N526 PolarHBondContact O-N 3.34Å
524A90.9Very high92.1Very high75 Ų7555.4 Ų55.462%0.6229%0.291SS*.Hα-helixtrans-63.9-46.317900000112.5S520 S521S520-A524 PolarHBondContact O-N 3.06Å; S521-A524 PolarHBondContact O-N 2.81Å; S521-A524 VanDerWaalsContact O-N 3.14Å
525Y90Very high92.1Very high59 Ų5955.1 Ų55.123%0.23129%0.29CS..THydrogen-bonded Turntrans-93.65.5-179.4-60-75.8000113.9L492 F493 E496 S521 V527L492-Y525 HydrophobicContact CB-CD1 4.03Å; L492-Y525 HydrophobicContact CB-CE1 3.53Å; L492-Y525 HydrophobicContact CD1-CE1 4.23Å; F493-Y525 HydrophobicContact CB-CD2 3.66Å; F493-Y525 HydrophobicContact CB-CE2 4.38Å; F493-Y525 HydrophobicContact CB-CG 3.86Å; F493-Y525 HydrophobicContact CD2-CD2 4.02Å; F493-Y525 HydrophobicContact CG-CD2 4.35Å; E496-Y525 HydrophobicContact CB-CE2 4.4Å; E496-Y525 WeakPolarHBondContact OE2-CE2 3.1Å; E496-Y525 VanDerWaalsContact OE2-CZ 3.25Å; E496-Y525 PolarHBondContact OE2-OH 3.31Å; S521-Y525 VanDerWaalsContact O-CD2 3.25Å; S521-Y525 WeakPolarHBondContact O-CD2 3.36Å; S521-Y525 PolarHBondContact O-N 3.24Å; Y525-V527 PolarHBondContact O-N 3.4Å; Y525-V527 VanDerWaalsContact O-N 3.14Å
526N87.9Confident92.1Very high148 Ų14854.2 Ų54.279%0.79129%0.285SS*.THydrogen-bonded Turntrans50.638.2-179.8-168.842.1000113.8K522 H523K522-N526 WeakPolarHBondContact O-CA 2.8Å; K522-N526 PolarHBondContact O-N 3.13Å; K522-N526 VanDerWaalsContact O-N 3.16Å; H523-N526 PolarHBondContact O-N 3.34Å
527V89.7Confident92.1Very high10 Ų1048.8 Ų48.86%0.06126%0.257CS..  trans-84.7148.9-179.3-66.80000111.8F493 K522 Y525 Q531 V532F493-V527 HydrophobicContact CB-CG1 4.06Å; F493-V527 HydrophobicContact CD1-CB 4.46Å; F493-V527 HydrophobicContact CD1-CG1 4.2Å; F493-V527 HydrophobicContact CD1-CG2 3.87Å; F493-V527 HydrophobicContact CD2-CG2 3.68Å; F493-V527 HydrophobicContact CE1-CG2 3.92Å; F493-V527 HydrophobicContact CE2-CG2 3.74Å; F493-V527 HydrophobicContact CG-CB 4.5Å; F493-V527 HydrophobicContact CG-CG1 4.06Å; F493-V527 HydrophobicContact CG-CG2 3.74Å; F493-V527 HydrophobicContact CZ-CG2 3.87Å; K522-V527 HydrophobicContact CB-CG2 4.15Å; K522-V527 HydrophobicContact CG-CG2 3.93Å; K522-V527 WeakPolarHBondContact CG-O 3.19Å; K522-V527 PolarHBondContact O-N 2.95Å; Y525-V527 PolarHBondContact O-N 3.4Å; Y525-V527 VanDerWaalsContact O-N 3.14Å; V527-Q531 HydrophobicContact CB-CB 4.26Å; V527-V532 HydrophobicContact CG2-CG2 4.29Å
528T91Very high92.1Very high75 Ų7547 Ų4746%0.4625%0.249SC..  trans-70154.9178.163.50000111.3E530 Q531 V532T528-E530 PolarHBondContact O-N 2.99Å; T528-E530 VanDerWaalsContact O-N 3.16Å; T528-Q531 WeakPolarHBondContact O-CB 3.41Å; T528-Q531 PolarHBondContact O-N 3.49Å; T528-Q531 VanDerWaalsContact O-N 3.12Å; T528-Q531 WeakPolarHBondContact OG1-CG 3.46Å; T528-Q531 PolarHBondContact OG1-N 3.36Å; T528-Q531 PolarHBondContact OG1-OE1 2.87Å; T528-V532 WeakPolarHBondContact O-CG2 3.19Å; T528-V532 PolarHBondContact O-N 2.95Å
529I90.6Very high92Very high59 Ų5947.1 Ų47.130%0.30325%0.249SC..Hα-helixtrans-61.1-26.7176.9-163.865.2000112.5K522 V532 Y533 Y572K522-I529 HydrophobicContact CD-CD1 4.28Å; I529-V532 HydrophobicContact CD1-CB 4.39Å; I529-V532 HydrophobicContact CD1-CG2 4.4Å; I529-V532 WeakPolarHBondContact O-CB 3.13Å; I529-V532 PolarHBondContact O-N 3.41Å; I529-Y533 HydrophobicContact CD1-CE1 4.34Å; I529-Y533 HydrophobicContact CG1-CE1 3.88Å; I529-Y533 HydrophobicContact CG1-CE2 4.06Å; I529-Y533 WeakPolarHBondContact CG1-OH 3.48Å; I529-Y533 HydrophobicContact CG2-CE2 4.22Å; I529-Y533 WeakPolarHBondContact O-CD2 3.32Å; I529-Y533 VanDerWaalsContact O-CG 3.3Å; I529-Y533 PolarHBondContact O-N 3.21Å; I529-Y533 VanDerWaalsContact O-N 3.09Å; I529-Y572 HydrophobicContact CD1-CD1 4.45Å; I529-Y572 HydrophobicContact CD1-CE1 4.36Å
530E91.3Very high92Very high66 Ų6644.9 Ų44.931%0.30824%0.237SC..Hα-helixtrans-69.7-39.6177.1-58.4-177-177.100112.2T528 V532 Y533 K534 R577 I581T528-E530 PolarHBondContact O-N 2.99Å; T528-E530 VanDerWaalsContact O-N 3.16Å; E530-V532 VanDerWaalsContact C-N 3.29Å; E530-V532 PolarHBondContact O-N 3.39Å; E530-Y533 WeakPolarHBondContact O-CB 3.35Å; E530-Y533 PolarHBondContact O-N 3.28Å; E530-K534 WeakPolarHBondContact O-CG 3.47Å; E530-K534 PolarHBondContact O-N 2.85Å; E530-K534 VanDerWaalsContact O-N 3.09Å; E530-R577 IonicContact OE1-CZ 3.34Å; E530-R577 IonicContact OE1-NE 2.86Å; E530-R577 PolarHBondContact OE1-NE 2.92Å; E530-R577 IonicContact OE1-NH2 2.79Å; E530-R577 PolarHBondContact OE1-NH2 3.34Å; E530-R577 IonicContact OE2-NH2 3.67Å; E530-I581 HydrophobicContact CB-CD1 3.95Å; E530-I581 HydrophobicContact CG-CD1 3.65Å
531Q91.7Very high91.9Very high44 Ų4441.7 Ų41.721%0.20622%0.215CC..Hα-helixtrans-62.8-37.2171.5-80.4167.9-44.500111.3Y490 V527 T528 K534 A535Y490-Q531 HydrophobicContact CD2-CB 3.76Å; Y490-Q531 HydrophobicContact CD2-CG 3.75Å; Y490-Q531 HydrophobicContact CE2-CB 3.58Å; Y490-Q531 HydrophobicContact CE2-CG 3.8Å; V527-Q531 HydrophobicContact CB-CB 4.26Å; T528-Q531 WeakPolarHBondContact O-CB 3.41Å; T528-Q531 PolarHBondContact O-N 3.49Å; T528-Q531 VanDerWaalsContact O-N 3.12Å; T528-Q531 WeakPolarHBondContact OG1-CG 3.46Å; T528-Q531 PolarHBondContact OG1-N 3.36Å; T528-Q531 PolarHBondContact OG1-OE1 2.87Å; Q531-K534 PolarHBondContact O-N 3.14Å; Q531-A535 VanDerWaalsContact O-CB 3.29Å; Q531-A535 WeakPolarHBondContact O-CB 2.85Å; Q531-A535 PolarHBondContact O-N 2.84Å
532V93.5Very high91.8Very high1 Ų143.8 Ų43.81%0.00623%0.225CC..Hα-helixtrans-61.2-45.8173.8-176.80000111.2F493 I518 K522 V527 T528 I529 E530 K534 A535 L536 Y572F493-V532 HydrophobicContact CE1-CG2 4.34Å; F493-V532 HydrophobicContact CZ-CB 4.26Å; F493-V532 HydrophobicContact CZ-CG1 4.32Å; F493-V532 HydrophobicContact CZ-CG2 3.75Å; I518-V532 HydrophobicContact CG2-CG1 3.67Å; K522-V532 HydrophobicContact CB-CG2 4Å; K522-V532 HydrophobicContact CD-CG2 3.97Å; K522-V532 HydrophobicContact CG-CG2 3.66Å; V527-V532 HydrophobicContact CG2-CG2 4.29Å; T528-V532 WeakPolarHBondContact O-CG2 3.19Å; T528-V532 PolarHBondContact O-N 2.95Å; I529-V532 HydrophobicContact CD1-CB 4.39Å; I529-V532 HydrophobicContact CD1-CG2 4.4Å; I529-V532 WeakPolarHBondContact O-CB 3.13Å; I529-V532 PolarHBondContact O-N 3.41Å; E530-V532 VanDerWaalsContact C-N 3.29Å; E530-V532 PolarHBondContact O-N 3.39Å; V532-K534 VanDerWaalsContact C-N 3.34Å; V532-K534 PolarHBondContact O-N 2.72Å; V532-A535 PolarHBondContact O-N 3.07Å; V532-L536 HydrophobicContact CG1-CD1 4.11Å; V532-L536 HydrophobicContact CG1-CG 4.48Å; V532-L536 WeakPolarHBondContact O-CB 3.15Å; V532-L536 WeakPolarHBondContact O-CG 2.8Å; V532-L536 PolarHBondContact O-N 3.23Å; V532-Y572 HydrophobicContact CG1-CD1 4.19Å; V532-Y572 HydrophobicContact CG1-CE1 3.86Å
533Y94.5Very high91.6Very high28 Ų2843.9 Ų43.911%0.1123%0.227CC..Hα-helixtrans-58.2-46.5177.3-59.4-33.2000111.9I529 E530 L536 I537 Y572 F573 I581I529-Y533 HydrophobicContact CD1-CE1 4.34Å; I529-Y533 HydrophobicContact CG1-CE1 3.88Å; I529-Y533 HydrophobicContact CG1-CE2 4.06Å; I529-Y533 WeakPolarHBondContact CG1-OH 3.48Å; I529-Y533 HydrophobicContact CG2-CE2 4.22Å; I529-Y533 WeakPolarHBondContact O-CD2 3.32Å; I529-Y533 VanDerWaalsContact O-CG 3.3Å; I529-Y533 PolarHBondContact O-N 3.21Å; I529-Y533 VanDerWaalsContact O-N 3.09Å; E530-Y533 WeakPolarHBondContact O-CB 3.35Å; E530-Y533 PolarHBondContact O-N 3.28Å; Y533-L536 PolarHBondContact O-N 2.89Å; Y533-I537 PolarHBondContact O-N 3.35Å; Y533-Y572 HydrophobicContact CD1-CD1 4.39Å; Y533-Y572 HydrophobicContact CE1-CD1 4.05Å; Y533-Y572 WeakPolarHBondContact CE1-O 3.43Å; Y533-F573 HydrophobicContact CD1-CE1 4.18Å; Y533-F573 HydrophobicContact CG-CE1 4.2Å; Y533-I581 HydrophobicContact CD2-CB 4.47Å; Y533-I581 HydrophobicContact CD2-CD1 4.03Å; Y533-I581 HydrophobicContact CD2-CG2 4.36Å
534K92.8Very high91.5Very high75 Ų7537.5 Ų37.533%0.32620%0.198SC..Hα-helixtrans-62.7-48.3177.6-68.5-175.1178.5-165.60111.6E530 Q531 V532 L536 I537 Q538 I581 A585E530-K534 WeakPolarHBondContact O-CG 3.47Å; E530-K534 PolarHBondContact O-N 2.85Å; E530-K534 VanDerWaalsContact O-N 3.09Å; Q531-K534 PolarHBondContact O-N 3.14Å; V532-K534 VanDerWaalsContact C-N 3.34Å; V532-K534 PolarHBondContact O-N 2.72Å; K534-L536 VanDerWaalsContact C-N 3.33Å; K534-L536 PolarHBondContact O-N 3.19Å; K534-I537 PolarHBondContact O-N 3.42Å; K534-Q538 WeakPolarHBondContact O-CB 3.2Å; K534-Q538 VanDerWaalsContact O-CG 3.23Å; K534-Q538 WeakPolarHBondContact O-CG 3.22Å; K534-Q538 PolarHBondContact O-N 2.89Å; K534-I581 HydrophobicContact CG-CG2 3.79Å; K534-A585 HydrophobicContact CG-CB 4.27Å
535A93.2Very high91.1Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-59.1-42179.900000112.3Y490 F493 F494 Q531 V532 I537 Q538 C539Y490-A535 HydrophobicContact CE2-CB 4.47Å; F493-A535 HydrophobicContact CD1-CB 4.32Å; F493-A535 HydrophobicContact CE1-CB 3.64Å; F494-A535 HydrophobicContact CD2-CB 3.86Å; Q531-A535 VanDerWaalsContact O-CB 3.29Å; Q531-A535 WeakPolarHBondContact O-CB 2.85Å; Q531-A535 PolarHBondContact O-N 2.84Å; V532-A535 PolarHBondContact O-N 3.07Å; A535-I537 PolarHBondContact O-N 3.07Å; A535-Q538 PolarHBondContact O-N 3.29Å; A535-C539 WeakPolarHBondContact O-CB 3.45Å; A535-C539 PolarHBondContact O-N 3.06Å
536L94.3Very high90.7Very high7 Ų737.7 Ų37.74%0.03720%0.195CC..Hα-helixtrans-61.6-44.5179-83.1173.1000112.8V497 V501 I518 V532 Y533 K534 A540 Y572V497-L536 HydrophobicContact CG1-CD2 4.32Å; V501-L536 HydrophobicContact CG2-CD2 4.45Å; I518-L536 HydrophobicContact CD1-CD2 3.76Å; V532-L536 HydrophobicContact CG1-CD1 4.11Å; V532-L536 HydrophobicContact CG1-CG 4.48Å; V532-L536 WeakPolarHBondContact O-CB 3.15Å; V532-L536 WeakPolarHBondContact O-CG 2.8Å; V532-L536 PolarHBondContact O-N 3.23Å; Y533-L536 PolarHBondContact O-N 2.89Å; K534-L536 VanDerWaalsContact C-N 3.33Å; K534-L536 PolarHBondContact O-N 3.19Å; L536-A540 WeakPolarHBondContact O-CB 3.49Å; L536-A540 PolarHBondContact O-N 2.91Å; L536-Y572 HydrophobicContact CD1-CD1 4.21Å; L536-Y572 HydrophobicContact CD1-CD2 3.43Å; L536-Y572 VanDerWaalsContact CD1-CD2 3.43Å; L536-Y572 HydrophobicContact CD1-CE2 3.9Å; L536-Y572 HydrophobicContact CD1-CG 3.62Å
537I93.7Very high90.3Very high1 Ų137.2 Ų37.21%0.00519%0.188CC..Hα-helixtrans-70.8-43.7178.4-63.3-55.2000111.2Y533 K534 A535 C539 A540 L541 L569 F573 C582 A585 L586Y533-I537 PolarHBondContact O-N 3.35Å; K534-I537 PolarHBondContact O-N 3.42Å; A535-I537 PolarHBondContact O-N 3.07Å; I537-C539 VanDerWaalsContact C-N 3.28Å; I537-C539 PolarHBondContact O-N 2.86Å; I537-A540 PolarHBondContact O-N 2.91Å; I537-L541 HydrophobicContact CG2-CD1 4.16Å; I537-L541 HydrophobicContact CG2-CG 4.44Å; I537-L541 WeakPolarHBondContact O-CB 3.47Å; I537-L541 WeakPolarHBondContact O-CG 3.45Å; I537-L541 PolarHBondContact O-N 3.37Å; I537-L569 HydrophobicContact CD1-CD2 4.31Å; I537-F573 HydrophobicContact CD1-CE2 3.74Å; I537-F573 HydrophobicContact CD1-CZ 3.66Å; I537-F573 HydrophobicContact CG1-CE1 4.34Å; I537-F573 HydrophobicContact CG1-CE2 4.23Å; I537-F573 HydrophobicContact CG1-CZ 3.62Å; I537-C582 WeakPolarHBondContact CD1-SG 3.43Å; I537-C582 HydrophobicContact CG1-CB 4.41Å; I537-A585 HydrophobicContact CB-CB 4.15Å; I537-A585 HydrophobicContact CG2-CB 4.11Å; I537-L586 HydrophobicContact CG2-CD2 3.52Å; I537-L586 HydrophobicContact CG2-CG 3.9Å
538Q92.6Very high89.8Confident40 Ų4045.1 Ų45.119%0.18723%0.23CC..Hα-helixtrans-58-43.4175.3-73.4177.5-19.100111.2Y490 F494 K534 A535 Q542 M589Y490-Q538 PolarHBondContact OH-OE1 3Å; Y490-Q538 VanDerWaalsContact OH-OE1 3.04Å; F494-Q538 HydrophobicContact CE2-CB 3.54Å; F494-Q538 HydrophobicContact CZ-CB 3.97Å; K534-Q538 WeakPolarHBondContact O-CB 3.2Å; K534-Q538 VanDerWaalsContact O-CG 3.23Å; K534-Q538 WeakPolarHBondContact O-CG 3.22Å; K534-Q538 PolarHBondContact O-N 2.89Å; A535-Q538 PolarHBondContact O-N 3.29Å; Q538-Q542 WeakPolarHBondContact O-CB 3.21Å; Q538-Q542 VanDerWaalsContact O-CG 3.24Å; Q538-Q542 WeakPolarHBondContact O-CG 3.37Å; Q538-Q542 PolarHBondContact O-N 3.3Å; Q538-Q542 VanDerWaalsContact O-N 3.16Å; Q538-M589 HydrophobicContact CB-SD 4.37Å; Q538-M589 HydrophobicContact CG-CG 3.91Å; Q538-M589 HydrophobicContact CG-SD 3.82Å
539C91.6Very high89.6Confident1 Ų143.5 Ų43.51%0.00722%0.22CC..Hα-helixtrans-62.2-54174.8176.80000111.1F494 A535 I537 L541 Q542 L543F494-C539 HydrophobicContact CE2-CB 4.36Å; A535-C539 WeakPolarHBondContact O-CB 3.45Å; A535-C539 PolarHBondContact O-N 3.06Å; I537-C539 VanDerWaalsContact C-N 3.28Å; I537-C539 PolarHBondContact O-N 2.86Å; C539-L541 PolarHBondContact O-N 3.43Å; C539-Q542 PolarHBondContact O-N 3.02Å; C539-L543 WeakPolarHBondContact O-CG 3.39Å; C539-L543 PolarHBondContact O-N 3.02Å
540A92.3Very high89.5Confident1 Ų143 Ų431%0.00823%0.225CC..Hα-helixtrans-57.6-37.4-176.800000112.8L536 I537 P544 L558 F562 L565L536-A540 WeakPolarHBondContact O-CB 3.49Å; L536-A540 PolarHBondContact O-N 2.91Å; I537-A540 PolarHBondContact O-N 2.91Å; A540-P544 WeakPolarHBondContact O-CD 3.37Å; A540-L558 VanDerWaalsContact O-CD1 3.3Å; A540-L558 WeakPolarHBondContact O-CD1 3.37Å; A540-F562 HydrophobicContact CB-CD1 4.28Å; A540-F562 HydrophobicContact CB-CE1 3.8Å; A540-L565 HydrophobicContact CB-CD1 4.34Å
541L92.4Very high89.3Confident0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-73-26.8175.3-69180000113.9I537 C539 Y554 L558 F562 L586 M589 V596 I603I537-L541 HydrophobicContact CG2-CD1 4.16Å; I537-L541 HydrophobicContact CG2-CG 4.44Å; I537-L541 WeakPolarHBondContact O-CB 3.47Å; I537-L541 WeakPolarHBondContact O-CG 3.45Å; I537-L541 PolarHBondContact O-N 3.37Å; C539-L541 PolarHBondContact O-N 3.43Å; L541-Y554 PolarHBondContact O-OH 3.45Å; L541-L558 HydrophobicContact CD2-CD1 4.07Å; L541-L558 HydrophobicContact CD2-CD2 3.76Å; L541-F562 HydrophobicContact CD2-CZ 4.39Å; L541-L586 HydrophobicContact CD1-CD2 3.78Å; L541-L586 HydrophobicContact CD2-CD2 4.27Å; L541-L586 HydrophobicContact CG-CD2 4.31Å; L541-M589 HydrophobicContact CB-CE 4.21Å; L541-M589 HydrophobicContact CD1-CB 3.54Å; L541-M589 HydrophobicContact CD1-CE 4.45Å; L541-M589 HydrophobicContact CD1-CG 3.87Å; L541-V596 HydrophobicContact CD1-CG1 4.18Å; L541-I603 HydrophobicContact CD2-CD1 4.08Å; L541-I603 HydrophobicContact CD2-CG2 4.34Å
542Q90.6Very high89.1Confident44 Ų4443.8 Ų43.821%0.20624%0.244CC..Hα-helixtrans-91.9-10.4-178.8-73.2-177.44.900114.2Q538 C539 Y546 M589Q538-Q542 WeakPolarHBondContact O-CB 3.21Å; Q538-Q542 VanDerWaalsContact O-CG 3.24Å; Q538-Q542 WeakPolarHBondContact O-CG 3.37Å; Q538-Q542 PolarHBondContact O-N 3.3Å; Q538-Q542 VanDerWaalsContact O-N 3.16Å; C539-Q542 PolarHBondContact O-N 3.02Å; Q542-Y546 HydrophobicContact CG-CE1 4.45Å; Q542-M589 HydrophobicContact CG-CE 3.79Å
543L88.6Confident88.9Confident48 Ų4847.9 Ų47.925%0.25127%0.266SS..SBendtrans-67.7-46.1179.3-76.1169.7000113V501 I505 C539 V561 L565V501-L543 HydrophobicContact CG1-CD1 3.78Å; I505-L543 HydrophobicContact CD1-CD1 3.66Å; C539-L543 WeakPolarHBondContact O-CG 3.39Å; C539-L543 PolarHBondContact O-N 3.02Å; L543-V561 HydrophobicContact CB-CG1 4.44Å; L543-V561 HydrophobicContact CB-CG2 4.37Å; L543-V561 HydrophobicContact CD1-CG1 3.84Å; L543-L565 HydrophobicContact CD1-CD1 4.45Å
544P88.3Confident88.8Confident5 Ų546.5 Ų46.53%0.03226%0.261CS..SBendtrans-67.1149.4171.8-19.533000112.2A540 Y546 Y554 Q557 L558 V561A540-P544 WeakPolarHBondContact O-CD 3.37Å; P544-Y546 PolarHBondContact O-N 2.73Å; P544-Y546 VanDerWaalsContact O-N 3.13Å; P544-Y554 HydrophobicContact CB-CD2 4.04Å; P544-Y554 HydrophobicContact CB-CE2 3.9Å; P544-Y554 HydrophobicContact CG-CE2 4.33Å; P544-Q557 HydrophobicContact CB-CB 3.82Å; P544-Q557 HydrophobicContact CG-CB 4.32Å; P544-L558 HydrophobicContact CG-CB 4.04Å; P544-L558 HydrophobicContact CG-CD1 4.03Å; P544-V561 HydrophobicContact CG-CG2 4.12Å
545A82.8Confident88.6Confident58 Ų5843.1 Ų43.148%0.47925%0.246SC..  trans-65.5115.9172.200000110.1V549A545-V549 HydrophobicContact CB-CG2 4.28Å; A545-V549 WeakPolarHBondContact O-CG2 3.12Å
546Y81.7Confident88.5Confident80 Ų8050.6 Ų50.631%0.31428%0.279SS..  trans-108-7.4-17761.2-95.1000114Q542 P544 I593Q542-Y546 HydrophobicContact CG-CE1 4.45Å; P544-Y546 PolarHBondContact O-N 2.73Å; P544-Y546 VanDerWaalsContact O-N 3.13Å; Y546-I593 HydrophobicContact CD2-CG2 4.09Å; Y546-I593 HydrophobicContact CE2-CD1 4.49Å
547Q79.4Confident88.4Confident139 Ų13954.2 Ų54.265%0.6530%0.295SS*.SBendtrans-91.1128.6176.4-63.9-175.53.800110.8V549Q547-V549 PolarHBondContact O-N 3.42Å
548N79.4Confident88.4Confident176 Ų17654.2 Ų54.294%0.94130%0.295SS*.SBendtrans59.325.4177.6-55.1-38.2000115.6
549V85.4Confident88.3Confident41 Ų4154.9 Ų54.925%0.24830%0.3CS..  trans-108.4145.7177.6-177.30000110.2A545 Q547 D553 I595A545-V549 HydrophobicContact CB-CG2 4.28Å; A545-V549 WeakPolarHBondContact O-CG2 3.12Å; Q547-V549 PolarHBondContact O-N 3.42Å; V549-D553 HydrophobicContact CG1-CB 3.64Å; V549-I595 VanDerWaalsContact O-CD1 3.25Å; V549-I595 WeakPolarHBondContact O-CD1 3.24Å
550A89Confident88.3Confident49 Ų4957.7 Ų57.741%0.40532%0.32SS..  trans-69.6145.9175.200000111.1A552 D553 Y554A550-A552 PolarHBondContact O-N 2.89Å; A550-A552 VanDerWaalsContact O-N 3.09Å; A550-D553 PolarHBondContact O-N 3.24Å; A550-Y554 PolarHBondContact O-N 3.17Å
551P87.9Confident88.3Confident65 Ų6558.4 Ų58.442%0.42232%0.324SS..Hα-helixtrans-53.5-34.3-178.8-29.435.7000114.9L555 I595 T599P551-L555 WeakPolarHBondContact O-CB 3.23Å; P551-L555 WeakPolarHBondContact O-CG 3.36Å; P551-L555 PolarHBondContact O-N 3.35Å; P551-L555 VanDerWaalsContact O-N 3.12Å; P551-I595 HydrophobicContact CB-CG1 4.49Å; P551-I595 HydrophobicContact CG-CG1 4.46Å; P551-T599 HydrophobicContact CB-CG2 3.68Å
552A88.1Confident88.3Confident60 Ų6058.4 Ų58.450%0.49632%0.324SS..Hα-helixtrans-69.8-40.4178.300000112.7A550 L555 K556A550-A552 PolarHBondContact O-N 2.89Å; A550-A552 VanDerWaalsContact O-N 3.09Å; A552-L555 PolarHBondContact O-N 3.39Å; A552-K556 PolarHBondContact O-N 3.18Å
553D88.6Confident88.3Confident87 Ų8763 Ų6347%0.46534%0.343SS..Hα-helixtrans-72.2-38.5179.8-65.5-42.7000111.2V549 A550 K556 Q557V549-D553 HydrophobicContact CG1-CB 3.64Å; A550-D553 PolarHBondContact O-N 3.24Å; D553-K556 PolarHBondContact O-N 2.68Å; D553-Q557 WeakPolarHBondContact O-CG 3.48Å; D553-Q557 PolarHBondContact O-N 3.49Å; D553-Q557 VanDerWaalsContact O-N 3.07Å
554Y91.9Very high88.4Confident0 Ų065.3 Ų65.30%035%0.353CS..Hα-helixtrans-59.3-48.9172.3173.4-101.1000111.4L541 P544 A550 K556 Q557 L558 I595 V596 I603L541-Y554 PolarHBondContact O-OH 3.45Å; P544-Y554 HydrophobicContact CB-CD2 4.04Å; P544-Y554 HydrophobicContact CB-CE2 3.9Å; P544-Y554 HydrophobicContact CG-CE2 4.33Å; A550-Y554 PolarHBondContact O-N 3.17Å; Y554-K556 VanDerWaalsContact C-N 3.29Å; Y554-K556 PolarHBondContact O-N 2.99Å; Y554-Q557 PolarHBondContact O-N 2.95Å; Y554-L558 HydrophobicContact CE1-CD2 3.96Å; Y554-L558 WeakPolarHBondContact O-CB 3.25Å; Y554-L558 PolarHBondContact O-N 3.35Å; Y554-I595 HydrophobicContact CD1-CD1 4.33Å; Y554-I595 HydrophobicContact CD1-CG1 4.13Å; Y554-I595 HydrophobicContact CD1-CG2 4.46Å; Y554-I595 HydrophobicContact CD2-CD1 4.47Å; Y554-I595 HydrophobicContact CG-CD1 3.86Å; Y554-I595 HydrophobicContact CG-CG1 4.17Å; Y554-I595 HydrophobicContact CG-CG2 4.47Å; Y554-V596 HydrophobicContact CE1-CG2 4.32Å; Y554-I603 HydrophobicContact CE1-CD1 4.4Å
555L89.9Confident88.5Confident4 Ų465.3 Ų65.32%0.02135%0.353CS..Hα-helixtrans-60.1-38.5176.7-82.1172.2000112.6P551 A552 L558 L559 T599 R602 I603P551-L555 WeakPolarHBondContact O-CB 3.23Å; P551-L555 WeakPolarHBondContact O-CG 3.36Å; P551-L555 PolarHBondContact O-N 3.35Å; P551-L555 VanDerWaalsContact O-N 3.12Å; A552-L555 PolarHBondContact O-N 3.39Å; L555-L558 PolarHBondContact O-N 2.92Å; L555-L559 WeakPolarHBondContact O-CB 3.48Å; L555-L559 VanDerWaalsContact O-CG 3.25Å; L555-L559 WeakPolarHBondContact O-CG 3.39Å; L555-L559 PolarHBondContact O-N 3.21Å; L555-T599 HydrophobicContact CD1-CG2 3.69Å; L555-T599 HydrophobicContact CD2-CG2 4.46Å; L555-T599 HydrophobicContact CG-CG2 3.87Å; L555-R602 HydrophobicContact CD1-CB 3.87Å; L555-R602 HydrophobicContact CD1-CG 4.37Å; L555-R602 HydrophobicContact CD2-CB 4.22Å; L555-I603 HydrophobicContact CD2-CG1 3.77Å
556K90.6Very high89.1Confident156 Ų15664.6 Ų64.668%0.67834%0.34SS*.Hα-helixtrans-62.6-43.9177.2-174.3-178.8177.3-175.90111.8A552 D553 Y554 S560A552-K556 PolarHBondContact O-N 3.18Å; D553-K556 PolarHBondContact O-N 2.68Å; Y554-K556 VanDerWaalsContact C-N 3.29Å; Y554-K556 PolarHBondContact O-N 2.99Å; K556-S560 PolarHBondContact O-N 3.07Å
557Q91.2Very high89.6Confident83 Ų8363.9 Ų63.939%0.38835%0.346SS..Hα-helixtrans-67.4-44.4176.5-67.7177.332.400111.3P544 D553 Y554 L559 S560 V561P544-Q557 HydrophobicContact CB-CB 3.82Å; P544-Q557 HydrophobicContact CG-CB 4.32Å; D553-Q557 WeakPolarHBondContact O-CG 3.48Å; D553-Q557 PolarHBondContact O-N 3.49Å; D553-Q557 VanDerWaalsContact O-N 3.07Å; Y554-Q557 PolarHBondContact O-N 2.95Å; Q557-L559 VanDerWaalsContact C-N 3.35Å; Q557-L559 PolarHBondContact O-N 3.02Å; Q557-S560 VanDerWaalsContact O-CB 3.26Å; Q557-S560 WeakPolarHBondContact O-CB 3.4Å; Q557-S560 PolarHBondContact O-N 3.42Å; Q557-V561 PolarHBondContact O-N 3.27Å; Q557-V561 VanDerWaalsContact O-N 3.12Å
558L93.2Very high90.3Very high1 Ų157.4 Ų57.41%0.00532%0.315CS..Hα-helixtrans-61.2-41.6178.8-177.163000112.4A540 L541 P544 Y554 L555 S560 V561 F562 I603A540-L558 VanDerWaalsContact O-CD1 3.3Å; A540-L558 WeakPolarHBondContact O-CD1 3.37Å; L541-L558 HydrophobicContact CD2-CD1 4.07Å; L541-L558 HydrophobicContact CD2-CD2 3.76Å; P544-L558 HydrophobicContact CG-CB 4.04Å; P544-L558 HydrophobicContact CG-CD1 4.03Å; Y554-L558 HydrophobicContact CE1-CD2 3.96Å; Y554-L558 WeakPolarHBondContact O-CB 3.25Å; Y554-L558 PolarHBondContact O-N 3.35Å; L555-L558 PolarHBondContact O-N 2.92Å; L558-S560 PolarHBondContact O-N 3.28Å; L558-V561 WeakPolarHBondContact O-CB 3.29Å; L558-V561 PolarHBondContact O-N 2.86Å; L558-V561 VanDerWaalsContact O-N 3.11Å; L558-F562 HydrophobicContact CD1-CD1 4.33Å; L558-F562 HydrophobicContact CD1-CE1 3.87Å; L558-F562 HydrophobicContact CD1-CE2 4.19Å; L558-F562 HydrophobicContact CD1-CZ 3.79Å; L558-F562 HydrophobicContact CD2-CE2 3.95Å; L558-F562 HydrophobicContact CD2-CZ 4.04Å; L558-F562 HydrophobicContact CG-CD2 4.18Å; L558-F562 HydrophobicContact CG-CE1 4.37Å; L558-F562 HydrophobicContact CG-CE2 3.79Å; L558-F562 HydrophobicContact CG-CZ 3.9Å; L558-F562 PolarHBondContact O-N 3.05Å; L558-I603 HydrophobicContact CD2-CD1 3.87Å; L558-I603 HydrophobicContact CD2-CG1 3.81Å; L558-I603 HydrophobicContact CD2-CG2 4.37Å
559L91.8Very high91Very high55 Ų5549.1 Ų49.129%0.28827%0.271SS..Hα-helixtrans-61.1-33.8174.6-78.6172.4000112.5L555 Q557 K563 S606L555-L559 WeakPolarHBondContact O-CB 3.48Å; L555-L559 VanDerWaalsContact O-CG 3.25Å; L555-L559 WeakPolarHBondContact O-CG 3.39Å; L555-L559 PolarHBondContact O-N 3.21Å; Q557-L559 VanDerWaalsContact C-N 3.35Å; Q557-L559 PolarHBondContact O-N 3.02Å; L559-K563 WeakPolarHBondContact O-CB 3.33Å; L559-K563 VanDerWaalsContact O-CG 3.25Å; L559-K563 WeakPolarHBondContact O-CG 3.48Å; L559-K563 PolarHBondContact O-N 3.07Å; L559-S606 WeakPolarHBondContact CD2-OG 3.47Å
560S90.5Very high91.4Very high60 Ų6050.9 Ų50.942%0.4228%0.276SS..Hα-helixtrans-65.1-44.8173.3-167.50000111.1K556 Q557 L558 K563 Q564K556-S560 PolarHBondContact O-N 3.07Å; Q557-S560 VanDerWaalsContact O-CB 3.26Å; Q557-S560 WeakPolarHBondContact O-CB 3.4Å; Q557-S560 PolarHBondContact O-N 3.42Å; L558-S560 PolarHBondContact O-N 3.28Å; S560-K563 PolarHBondContact O-N 2.93Å; S560-Q564 WeakPolarHBondContact O-CG 3.26Å; S560-Q564 PolarHBondContact O-N 3.42Å; S560-Q564 VanDerWaalsContact O-N 3.08Å
561V92.2Very high91.6Very high15 Ų1551.2 Ų51.29%0.09127%0.27CS..Hα-helixtrans-62-48.3177.21730000110.9I505 L543 P544 Q557 L558 K563 Q564 L565I505-V561 HydrophobicContact CD1-CG1 4.04Å; L543-V561 HydrophobicContact CB-CG1 4.44Å; L543-V561 HydrophobicContact CB-CG2 4.37Å; L543-V561 HydrophobicContact CD1-CG1 3.84Å; P544-V561 HydrophobicContact CG-CG2 4.12Å; Q557-V561 PolarHBondContact O-N 3.27Å; Q557-V561 VanDerWaalsContact O-N 3.12Å; L558-V561 WeakPolarHBondContact O-CB 3.29Å; L558-V561 PolarHBondContact O-N 2.86Å; L558-V561 VanDerWaalsContact O-N 3.11Å; V561-K563 VanDerWaalsContact C-N 3.31Å; V561-K563 PolarHBondContact O-N 2.66Å; V561-Q564 PolarHBondContact O-N 2.84Å; V561-L565 HydrophobicContact CG1-CD1 3.78Å; V561-L565 HydrophobicContact CG1-CG 4.37Å; V561-L565 WeakPolarHBondContact O-CB 3.44Å; V561-L565 WeakPolarHBondContact O-CG 3.39Å; V561-L565 PolarHBondContact O-N 2.91Å
562F93.5Very high91.9Very high1 Ų148.6 Ų48.60%0.00425%0.252CS..Hα-helixtrans-61.2-38.2177.7-72.3-20.9000113A540 L541 L558 L565 L566 L569 I603 L607 L610A540-F562 HydrophobicContact CB-CD1 4.28Å; A540-F562 HydrophobicContact CB-CE1 3.8Å; L541-F562 HydrophobicContact CD2-CZ 4.39Å; L558-F562 HydrophobicContact CD1-CD1 4.33Å; L558-F562 HydrophobicContact CD1-CE1 3.87Å; L558-F562 HydrophobicContact CD1-CE2 4.19Å; L558-F562 HydrophobicContact CD1-CZ 3.79Å; L558-F562 HydrophobicContact CD2-CE2 3.95Å; L558-F562 HydrophobicContact CD2-CZ 4.04Å; L558-F562 HydrophobicContact CG-CD2 4.18Å; L558-F562 HydrophobicContact CG-CE1 4.37Å; L558-F562 HydrophobicContact CG-CE2 3.79Å; L558-F562 HydrophobicContact CG-CZ 3.9Å; L558-F562 PolarHBondContact O-N 3.05Å; F562-L565 CarbonylContact O-C 3.53Å; F562-L565 PolarHBondContact O-N 3.47Å; F562-L566 WeakPolarHBondContact O-CA 3.24Å; F562-L566 WeakPolarHBondContact O-CB 3.22Å; F562-L566 PolarHBondContact O-N 3.19Å; F562-L569 HydrophobicContact CD1-CD1 4.02Å; F562-I603 HydrophobicContact CE2-CG2 4.04Å; F562-I603 HydrophobicContact CZ-CG2 4.16Å; F562-L607 HydrophobicContact CD1-CD2 4.41Å; F562-L607 HydrophobicContact CD2-CD2 3.96Å; F562-L607 HydrophobicContact CD2-CG 4.4Å; F562-L607 HydrophobicContact CE1-CD2 4.35Å; F562-L607 HydrophobicContact CE2-CD1 4.4Å; F562-L607 HydrophobicContact CE2-CD2 3.89Å; F562-L607 HydrophobicContact CE2-CG 3.98Å; F562-L607 HydrophobicContact CG-CD2 4.23Å; F562-L607 HydrophobicContact CZ-CD1 4.31Å; F562-L607 HydrophobicContact CZ-CD2 4.09Å; F562-L607 HydrophobicContact CZ-CG 4.31Å; F562-L610 HydrophobicContact CB-CD1 3.92Å
563K90.8Very high92.2Very high140 Ų14046 Ų4661%0.60923%0.23SC*.Hα-helixtrans-65.2-40.4176.1-76.5176.7-178.6-174.20112.3L559 S560 V561 L566L559-K563 WeakPolarHBondContact O-CB 3.33Å; L559-K563 VanDerWaalsContact O-CG 3.25Å; L559-K563 WeakPolarHBondContact O-CG 3.48Å; L559-K563 PolarHBondContact O-N 3.07Å; S560-K563 PolarHBondContact O-N 2.93Å; V561-K563 VanDerWaalsContact C-N 3.31Å; V561-K563 PolarHBondContact O-N 2.66Å; K563-L566 WeakPolarHBondContact O-CB 3.4Å
564Q90Very high92.3Very high96 Ų9648.4 Ų48.445%0.44924%0.236SC..Hα-helixtrans-68.8-39.6176.5-72.1170.1-19.700111.9I505 S560 V561 L566I505-Q564 HydrophobicContact CG1-CB 4.47Å; S560-Q564 WeakPolarHBondContact O-CG 3.26Å; S560-Q564 PolarHBondContact O-N 3.42Å; S560-Q564 VanDerWaalsContact O-N 3.08Å; V561-Q564 PolarHBondContact O-N 2.84Å; Q564-L566 VanDerWaalsContact C-N 3.31Å; Q564-L566 PolarHBondContact O-N 3.02Å
565L91.6Very high92.3Very high6 Ų651 Ų513%0.03125%0.254CS..Hα-helixtrans-85.71.1179.1-63.6-179.8000114V501 I505 A540 L543 V561 F562 P567 V568 L569V501-L565 HydrophobicContact CG1-CD1 3.59Å; V501-L565 HydrophobicContact CG1-CD2 3.73Å; V501-L565 HydrophobicContact CG1-CG 4.29Å; I505-L565 HydrophobicContact CD1-CD1 4.06Å; I505-L565 HydrophobicContact CD1-CD2 4Å; I505-L565 HydrophobicContact CD1-CG 3.96Å; I505-L565 HydrophobicContact CG1-CD2 4.06Å; I505-L565 HydrophobicContact CG1-CG 4.42Å; A540-L565 HydrophobicContact CB-CD1 4.34Å; L543-L565 HydrophobicContact CD1-CD1 4.45Å; V561-L565 HydrophobicContact CG1-CD1 3.78Å; V561-L565 HydrophobicContact CG1-CG 4.37Å; V561-L565 WeakPolarHBondContact O-CB 3.44Å; V561-L565 WeakPolarHBondContact O-CG 3.39Å; V561-L565 PolarHBondContact O-N 2.91Å; F562-L565 CarbonylContact O-C 3.53Å; F562-L565 PolarHBondContact O-N 3.47Å; L565-P567 VanDerWaalsContact C-CD 3.46Å; L565-V568 HydrophobicContact CD2-CG2 4.5Å; L565-V568 CarbonylContact O-C 3.5Å; L565-V568 WeakPolarHBondContact O-CA 3.19Å; L565-V568 WeakPolarHBondContact O-CB 3.32Å; L565-V568 PolarHBondContact O-N 3.29Å; L565-L569 HydrophobicContact CB-CD1 4.32Å; L565-L569 HydrophobicContact CB-CG 4.21Å; L565-L569 WeakPolarHBondContact O-CG 3.41Å; L565-L569 PolarHBondContact O-N 2.92Å
566L93.5Very high92.4Very high42 Ų4254.5 Ų54.522%0.2227%0.27CS..Hα-helixtrans-52.6-45.1-173.3-176.564.1000113.5F562 K563 Q564 V568 L569 K570 L610 V612F562-L566 WeakPolarHBondContact O-CA 3.24Å; F562-L566 WeakPolarHBondContact O-CB 3.22Å; F562-L566 PolarHBondContact O-N 3.19Å; K563-L566 WeakPolarHBondContact O-CB 3.4Å; Q564-L566 VanDerWaalsContact C-N 3.31Å; Q564-L566 PolarHBondContact O-N 3.02Å; L566-V568 VanDerWaalsContact C-N 3.3Å; L566-V568 PolarHBondContact O-N 3.48Å; L566-L569 PolarHBondContact O-N 2.93Å; L566-K570 HydrophobicContact CD1-CD 4.37Å; L566-K570 HydrophobicContact CD1-CG 4.19Å; L566-K570 HydrophobicContact CG-CD 4.47Å; L566-K570 WeakPolarHBondContact O-CB 3.25Å; L566-K570 PolarHBondContact O-N 3.2Å; L566-L610 HydrophobicContact CD1-CB 3.85Å; L566-L610 HydrophobicContact CD1-CD1 4.44Å; L566-L610 HydrophobicContact CD1-CD2 4.33Å; L566-L610 HydrophobicContact CD1-CG 4.44Å; L566-L610 HydrophobicContact CD2-CD2 4.27Å; L566-V612 HydrophobicContact CD1-CG2 3.82Å
567P92.7Very high92.5Very high66 Ų6654.5 Ų54.543%0.42927%0.266SS..Hα-helixtrans-64.6-35.4177.5-19.232.8000112.7S511 L565 N571S511-P567 WeakPolarHBondContact OG-CB 3.43Å; L565-P567 VanDerWaalsContact C-CD 3.46Å; P567-N571 WeakPolarHBondContact O-CB 3.29Å; P567-N571 PolarHBondContact O-N 3.48Å
568V93.9Very high92.6Very high2 Ų250.5 Ų50.51%0.01225%0.248CC..Hα-helixtrans-68.1-47.5176.8-174.70000109.9I514 I515 I518 L565 L566 N571 Y572I514-V568 HydrophobicContact CB-CG2 4.33Å; I514-V568 HydrophobicContact CG2-CG2 4.23Å; I515-V568 HydrophobicContact CG1-CB 4.39Å; I515-V568 HydrophobicContact CG1-CG1 4.07Å; I515-V568 HydrophobicContact CG1-CG2 4.2Å; I518-V568 HydrophobicContact CD1-CG1 4Å; L565-V568 HydrophobicContact CD2-CG2 4.5Å; L565-V568 CarbonylContact O-C 3.5Å; L565-V568 WeakPolarHBondContact O-CA 3.19Å; L565-V568 WeakPolarHBondContact O-CB 3.32Å; L565-V568 PolarHBondContact O-N 3.29Å; L566-V568 VanDerWaalsContact C-N 3.3Å; L566-V568 PolarHBondContact O-N 3.48Å; V568-N571 WeakPolarHBondContact O-CB 3.22Å; V568-N571 PolarHBondContact O-N 3.26Å; V568-N571 VanDerWaalsContact O-N 3.09Å; V568-Y572 HydrophobicContact CG1-CD2 4.05Å; V568-Y572 HydrophobicContact CG1-CE2 4.03Å; V568-Y572 WeakPolarHBondContact O-CD2 3.2Å; V568-Y572 PolarHBondContact O-N 3.35Å
569L94.7Very high92.7Very high2 Ų250.7 Ų50.71%0.0125%0.248CC..Hα-helixtrans-60.1-50.2177.9-65.5175.5000111.1I537 F562 L565 L566 N571 Y572 F573 L607 V612I537-L569 HydrophobicContact CD1-CD2 4.31Å; F562-L569 HydrophobicContact CD1-CD1 4.02Å; L565-L569 HydrophobicContact CB-CD1 4.32Å; L565-L569 HydrophobicContact CB-CG 4.21Å; L565-L569 WeakPolarHBondContact O-CG 3.41Å; L565-L569 PolarHBondContact O-N 2.92Å; L566-L569 PolarHBondContact O-N 2.93Å; L569-N571 PolarHBondContact O-N 2.91Å; L569-Y572 PolarHBondContact O-N 3.29Å; L569-Y572 VanDerWaalsContact O-N 3.12Å; L569-F573 HydrophobicContact CB-CD2 4.24Å; L569-F573 HydrophobicContact CD2-CD2 4.1Å; L569-F573 HydrophobicContact CD2-CE2 3.7Å; L569-F573 VanDerWaalsContact O-CD2 3.26Å; L569-F573 WeakPolarHBondContact O-CD2 3.19Å; L569-F573 PolarHBondContact O-N 2.67Å; L569-L607 HydrophobicContact CD1-CD2 4.39Å; L569-V612 HydrophobicContact CB-CG1 4.27Å; L569-V612 HydrophobicContact CB-CG2 4.18Å
570K93.7Very high92.8Very high79 Ų7949.8 Ų49.834%0.34324%0.244SC..Hα-helixtrans-61.2-25.3175.7-74.9-166.4171.8-171.60112.7L566 K574 L610 D611 V612L566-K570 HydrophobicContact CD1-CD 4.37Å; L566-K570 HydrophobicContact CD1-CG 4.19Å; L566-K570 HydrophobicContact CG-CD 4.47Å; L566-K570 WeakPolarHBondContact O-CB 3.25Å; L566-K570 PolarHBondContact O-N 3.2Å; K570-K574 VanDerWaalsContact O-CE 3.23Å; K570-K574 WeakPolarHBondContact O-CE 3.5Å; K570-K574 VanDerWaalsContact O-CG 3.28Å; K570-K574 WeakPolarHBondContact O-CG 3.46Å; K570-L610 WeakPolarHBondContact CE-O 3.24Å; K570-L610 PolarHBondContact NZ-O 2.99Å; K570-D611 IonicContact NZ-OD2 3.08Å; K570-D611 PolarHBondContact NZ-OD2 2.81Å; K570-V612 HydrophobicContact CG-CG2 4.42Å
571N93.4Very high92.9Very high55 Ų5547.7 Ų47.729%0.29423%0.228SC..Hα-helixtrans-71.2-39.2175.5-17456.2000113I515 P567 V568 L569 K574I515-N571 HydrophobicContact CD1-CB 3.76Å; I515-N571 HydrophobicContact CG1-CB 4.42Å; I515-N571 WeakPolarHBondContact CG2-ND2 3.13Å; P567-N571 WeakPolarHBondContact O-CB 3.29Å; P567-N571 PolarHBondContact O-N 3.48Å; V568-N571 WeakPolarHBondContact O-CB 3.22Å; V568-N571 PolarHBondContact O-N 3.26Å; V568-N571 VanDerWaalsContact O-N 3.09Å; L569-N571 PolarHBondContact O-N 2.91Å; N571-K574 WeakPolarHBondContact O-CD 3.47Å; N571-K574 WeakPolarHBondContact O-CE 3.19Å; N571-K574 PolarHBondContact O-NZ 2.7Å; N571-K574 PolarHBondContact OD1-NZ 3.39Å
572Y94Very high93Very high10 Ų1047 Ų474%0.03922%0.223CC..Hα-helixtrans-91.2-34.6-175.4-76.2-78.6000113.6I515 I518 N519 I529 V532 Y533 L536 V568 L569 K574I515-Y572 HydrophobicContact CG1-CE2 4.3Å; I515-Y572 HydrophobicContact CG2-CE2 4.46Å; I515-Y572 PolarHBondContact O-OH 2.8Å; I518-Y572 HydrophobicContact CD1-CE2 4.19Å; I518-Y572 HydrophobicContact CG2-CE2 4.38Å; I518-Y572 VanDerWaalsContact CG2-OH 3.31Å; I518-Y572 WeakPolarHBondContact CG2-OH 3.18Å; N519-Y572 PolarHBondContact ND2-OH 3.22Å; N519-Y572 PolarHBondContact OD1-OH 3.26Å; I529-Y572 HydrophobicContact CD1-CD1 4.45Å; I529-Y572 HydrophobicContact CD1-CE1 4.36Å; V532-Y572 HydrophobicContact CG1-CD1 4.19Å; V532-Y572 HydrophobicContact CG1-CE1 3.86Å; Y533-Y572 HydrophobicContact CD1-CD1 4.39Å; Y533-Y572 HydrophobicContact CE1-CD1 4.05Å; Y533-Y572 WeakPolarHBondContact CE1-O 3.43Å; L536-Y572 HydrophobicContact CD1-CD1 4.21Å; L536-Y572 HydrophobicContact CD1-CD2 3.43Å; L536-Y572 VanDerWaalsContact CD1-CD2 3.43Å; L536-Y572 HydrophobicContact CD1-CE2 3.9Å; L536-Y572 HydrophobicContact CD1-CG 3.62Å; V568-Y572 HydrophobicContact CG1-CD2 4.05Å; V568-Y572 HydrophobicContact CG1-CE2 4.03Å; V568-Y572 WeakPolarHBondContact O-CD2 3.2Å; V568-Y572 PolarHBondContact O-N 3.35Å; L569-Y572 PolarHBondContact O-N 3.29Å; L569-Y572 VanDerWaalsContact O-N 3.12Å; Y572-K574 PolarHBondContact O-N 3.03Å
573F94.4Very high93Very high7 Ų747 Ų473%0.03122%0.223CC..  trans-9869.8-175.8-60.9-69.4000112.2Y533 I537 L569 S578 Q579 C582 V612Y533-F573 HydrophobicContact CD1-CE1 4.18Å; Y533-F573 HydrophobicContact CG-CE1 4.2Å; I537-F573 HydrophobicContact CD1-CE2 3.74Å; I537-F573 HydrophobicContact CD1-CZ 3.66Å; I537-F573 HydrophobicContact CG1-CE1 4.34Å; I537-F573 HydrophobicContact CG1-CE2 4.23Å; I537-F573 HydrophobicContact CG1-CZ 3.62Å; L569-F573 HydrophobicContact CB-CD2 4.24Å; L569-F573 HydrophobicContact CD2-CD2 4.1Å; L569-F573 HydrophobicContact CD2-CE2 3.7Å; L569-F573 VanDerWaalsContact O-CD2 3.26Å; L569-F573 WeakPolarHBondContact O-CD2 3.19Å; L569-F573 PolarHBondContact O-N 2.67Å; F573-S578 WeakPolarHBondContact CD1-O 3.25Å; F573-Q579 HydrophobicContact CB-CG 4.44Å; F573-C582 HydrophobicContact CD1-CB 3.72Å; F573-C582 HydrophobicContact CE1-CB 3.53Å; F573-C582 HydrophobicContact CZ-CB 4.28Å; F573-V612 HydrophobicContact CB-CG1 3.96Å; F573-V612 HydrophobicContact CD2-CG1 4.05Å; F573-V612 HydrophobicContact CG-CG1 4.22Å
574K90.4Very high93.1Very high137 Ų13743.5 Ų43.560%0.59621%0.211SC*.  trans-108.2-28.4-177.2-66.2176178.8149.70114.8K570 N571 Y572 S578K570-K574 VanDerWaalsContact O-CE 3.23Å; K570-K574 WeakPolarHBondContact O-CE 3.5Å; K570-K574 VanDerWaalsContact O-CG 3.28Å; K570-K574 WeakPolarHBondContact O-CG 3.46Å; N571-K574 WeakPolarHBondContact O-CD 3.47Å; N571-K574 WeakPolarHBondContact O-CE 3.19Å; N571-K574 PolarHBondContact O-NZ 2.7Å; N571-K574 PolarHBondContact OD1-NZ 3.39Å; Y572-K574 PolarHBondContact O-N 3.03Å; K574-S578 PolarHBondContact N-OG 3.33Å
575S91.8Very high93.3Very high55 Ų5539 Ų3939%0.38519%0.19SC..SBendtrans-103.7155.5-174.867.80000111.1R577 S578 Q579S575-R577 PolarHBondContact O-N 3.06Å; S575-S578 PolarHBondContact N-OG 3.12Å; S575-S578 PolarHBondContact O-N 2.93Å; S575-S578 PolarHBondContact O-OG 2.99Å; S575-S578 PolarHBondContact OG-N 2.9Å; S575-S578 PolarHBondContact OG-OG 3.24Å; S575-Q579 WeakPolarHBondContact O-CG 3.22Å; S575-Q579 PolarHBondContact O-N 3.48Å
576E92.6Very high93.4Very high76 Ų7638.7 Ų38.736%0.35519%0.189SC..Hα-helixtrans-46.4-49.3170.1177.3-174174.100111.3S578 Q579 L580 Y617 K620E576-S578 PolarHBondContact O-N 2.89Å; E576-Q579 PolarHBondContact O-N 2.98Å; E576-L580 HydrophobicContact CG-CD1 3.94Å; E576-L580 HydrophobicContact CG-CG 4.39Å; E576-L580 WeakPolarHBondContact O-CG 3.19Å; E576-L580 PolarHBondContact O-N 3.01Å; E576-Y617 HydrophobicContact CB-CD1 4.29Å; E576-Y617 HydrophobicContact CB-CE1 3.81Å; E576-Y617 HydrophobicContact CB-CE2 4.38Å; E576-Y617 HydrophobicContact CG-CD1 3.76Å; E576-Y617 HydrophobicContact CG-CE1 3.67Å; E576-Y617 HydrophobicContact CG-CG 4.41Å; E576-K620 IonicContact OE1-NZ 3.96Å; E576-K620 PolarHBondContact OE1-NZ 3.28Å
577R92.4Very high93.4Very high156 Ų15636.7 Ų36.759%0.58918%0.179SC*.Hα-helixtrans-58.7-45.3-179.8-169.9-176.8-173.5102-0.4112.2E530 S575 I581E530-R577 IonicContact OE1-CZ 3.34Å; E530-R577 IonicContact OE1-NE 2.86Å; E530-R577 PolarHBondContact OE1-NE 2.92Å; E530-R577 IonicContact OE1-NH2 2.79Å; E530-R577 PolarHBondContact OE1-NH2 3.34Å; E530-R577 IonicContact OE2-NH2 3.67Å; S575-R577 PolarHBondContact O-N 3.06Å; R577-I581 HydrophobicContact CG-CD1 3.96Å; R577-I581 WeakPolarHBondContact O-CD1 3.44Å; R577-I581 VanDerWaalsContact O-CG1 3.23Å; R577-I581 WeakPolarHBondContact O-CG1 3.41Å; R577-I581 PolarHBondContact O-N 3.26Å
578S93.1Very high93.3Very high0 Ų036 Ų360%017%0.171CC..Hα-helixtrans-66-38.8179.350.50000112.4F573 K574 S575 E576 I581 C582F573-S578 WeakPolarHBondContact CD1-O 3.25Å; K574-S578 PolarHBondContact N-OG 3.33Å; S575-S578 PolarHBondContact N-OG 3.12Å; S575-S578 PolarHBondContact O-N 2.93Å; S575-S578 PolarHBondContact O-OG 2.99Å; S575-S578 PolarHBondContact OG-N 2.9Å; S575-S578 PolarHBondContact OG-OG 3.24Å; E576-S578 PolarHBondContact O-N 2.89Å; S578-I581 PolarHBondContact O-N 3.04Å; S578-C582 PolarHBondContact O-N 3.12Å
579Q95.7Very high93.1Very high4 Ų436.4 Ų36.42%0.01917%0.173CC..Hα-helixtrans-71.6-38.1-179.7-65.6-172.341.200111.6F573 S575 E576 C582 L583 L613 E614 Y617F573-Q579 HydrophobicContact CB-CG 4.44Å; S575-Q579 WeakPolarHBondContact O-CG 3.22Å; S575-Q579 PolarHBondContact O-N 3.48Å; E576-Q579 PolarHBondContact O-N 2.98Å; Q579-C582 VanDerWaalsContact O-CB 3.28Å; Q579-C582 WeakPolarHBondContact O-CB 3.26Å; Q579-C582 PolarHBondContact O-N 3.48Å; Q579-L583 WeakPolarHBondContact O-CG 3.41Å; Q579-L583 PolarHBondContact O-N 3.1Å; Q579-L583 VanDerWaalsContact O-N 3.08Å; Q579-L613 HydrophobicContact CB-CD2 3.89Å; Q579-L613 HydrophobicContact CG-CD2 4.23Å; Q579-L613 VanDerWaalsContact OE1-CA 3.27Å; Q579-E614 PolarHBondContact NE2-OE1 2.96Å; Q579-Y617 HydrophobicContact CB-CD2 3.92Å; Q579-Y617 HydrophobicContact CG-CD2 4.29Å
580L93.1Very high93Very high37 Ų3736.3 Ų36.319%0.19417%0.173CC..Hα-helixtrans-64-42.6171.9-67.6176.2000112E576 C582 L583 D584 W621E576-L580 HydrophobicContact CG-CD1 3.94Å; E576-L580 HydrophobicContact CG-CG 4.39Å; E576-L580 WeakPolarHBondContact O-CG 3.19Å; E576-L580 PolarHBondContact O-N 3.01Å; L580-C582 VanDerWaalsContact C-N 3.29Å; L580-C582 PolarHBondContact O-N 3.44Å; L580-L583 PolarHBondContact O-N 3.01Å; L580-D584 PolarHBondContact O-N 3.19Å; L580-W621 HydrophobicContact CD2-CB 3.82Å
581I92.7Very high92.7Very high16 Ų1635.8 Ų35.88%0.08218%0.183CC..Hα-helixtrans-64.3-35.7175.5-67.9166.5000111.3E530 Y533 K534 R577 S578 D584 A585E530-I581 HydrophobicContact CB-CD1 3.95Å; E530-I581 HydrophobicContact CG-CD1 3.65Å; Y533-I581 HydrophobicContact CD2-CB 4.47Å; Y533-I581 HydrophobicContact CD2-CD1 4.03Å; Y533-I581 HydrophobicContact CD2-CG2 4.36Å; K534-I581 HydrophobicContact CG-CG2 3.79Å; R577-I581 HydrophobicContact CG-CD1 3.96Å; R577-I581 WeakPolarHBondContact O-CD1 3.44Å; R577-I581 VanDerWaalsContact O-CG1 3.23Å; R577-I581 WeakPolarHBondContact O-CG1 3.41Å; R577-I581 PolarHBondContact O-N 3.26Å; S578-I581 PolarHBondContact O-N 3.04Å; I581-D584 PolarHBondContact O-N 3.46Å; I581-A585 WeakPolarHBondContact O-CB 3.21Å; I581-A585 PolarHBondContact O-N 3.49Å
582C94.6Very high92.4Very high0 Ų037.8 Ų37.80%020%0.201CC..Hα-helixtrans-58-49172.5-178.80000111I537 F573 S578 Q579 L580 A585 L586 L613I537-C582 WeakPolarHBondContact CD1-SG 3.43Å; I537-C582 HydrophobicContact CG1-CB 4.41Å; F573-C582 HydrophobicContact CD1-CB 3.72Å; F573-C582 HydrophobicContact CE1-CB 3.53Å; F573-C582 HydrophobicContact CZ-CB 4.28Å; S578-C582 PolarHBondContact O-N 3.12Å; Q579-C582 VanDerWaalsContact O-CB 3.28Å; Q579-C582 WeakPolarHBondContact O-CB 3.26Å; Q579-C582 PolarHBondContact O-N 3.48Å; L580-C582 VanDerWaalsContact C-N 3.29Å; L580-C582 PolarHBondContact O-N 3.44Å; C582-A585 PolarHBondContact O-N 2.84Å; C582-L586 WeakPolarHBondContact O-CG 3.35Å; C582-L586 PolarHBondContact O-N 2.75Å; C582-L613 HydrophobicContact CB-CD2 4.2Å
583L94.9Very high92.2Very high0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-63.9-41.9179.6-72.7167.3000112.3Q579 L580 A585 L586 A587 V604 L613 I618 W621Q579-L583 WeakPolarHBondContact O-CG 3.41Å; Q579-L583 PolarHBondContact O-N 3.1Å; Q579-L583 VanDerWaalsContact O-N 3.08Å; L580-L583 PolarHBondContact O-N 3.01Å; L583-A585 PolarHBondContact O-N 2.83Å; L583-L586 HydrophobicContact CD2-CD1 4.44Å; L583-L586 WeakPolarHBondContact O-CB 3.12Å; L583-L586 PolarHBondContact O-N 2.89Å; L583-A587 PolarHBondContact O-N 3.45Å; L583-V604 HydrophobicContact CD2-CG1 4.01Å; L583-V604 HydrophobicContact CD2-CG2 4.14Å; L583-L613 HydrophobicContact CD2-CD1 3.74Å; L583-L613 HydrophobicContact CG-CD1 4.23Å; L583-L613 HydrophobicContact CG-CD2 4.25Å; L583-I618 HydrophobicContact CD1-CG1 4.26Å; L583-I618 HydrophobicContact CD2-CG1 4.46Å; L583-W621 HydrophobicContact CB-CB 4.43Å; L583-W621 HydrophobicContact CB-CD2 3.64Å; L583-W621 HydrophobicContact CB-CE3 4.26Å; L583-W621 HydrophobicContact CB-CG 3.69Å; L583-W621 HydrophobicContact CB-CZ2 4.15Å; L583-W621 HydrophobicContact CD1-CB 3.63Å; L583-W621 HydrophobicContact CD1-CD2 4.07Å; L583-W621 HydrophobicContact CD1-CE3 4.3Å; L583-W621 HydrophobicContact CD1-CG 3.78Å; L583-W621 HydrophobicContact CD2-CD2 4.35Å; L583-W621 HydrophobicContact CD2-CE3 4.12Å; L583-W621 HydrophobicContact CD2-CZ3 4.32Å; L583-W621 HydrophobicContact CG-CD2 4.25Å; L583-W621 HydrophobicContact CG-CE3 4.48Å; L583-W621 HydrophobicContact CG-CG 4.31Å; L583-W621 WeakPolarHBondContact O-CZ2 3.45Å
584D93Very high91.9Very high68 Ų6847 Ų4736%0.36424%0.242SC..Hα-helixtrans-60.2-45.3173.1-72.7-20.9000111.5L580 I581 L586 A587 D588 W621L580-D584 PolarHBondContact O-N 3.19Å; I581-D584 PolarHBondContact O-N 3.46Å; D584-L586 VanDerWaalsContact C-N 3.3Å; D584-L586 PolarHBondContact O-N 2.82Å; D584-A587 PolarHBondContact O-N 3.28Å; D584-A587 VanDerWaalsContact O-N 3.14Å; D584-D588 PolarHBondContact O-N 2.89Å; D584-W621 VanDerWaalsContact OD1-CD1 3.31Å; D584-W621 PolarHBondContact OD1-NE1 3.32Å
585A92.6Very high92Very high0 Ų041.4 Ų41.40%022%0.219CC..Hα-helixtrans-62.5-36.9177.200000112.4K534 I537 I581 C582 L583 M589K534-A585 HydrophobicContact CG-CB 4.27Å; I537-A585 HydrophobicContact CB-CB 4.15Å; I537-A585 HydrophobicContact CG2-CB 4.11Å; I581-A585 WeakPolarHBondContact O-CB 3.21Å; I581-A585 PolarHBondContact O-N 3.49Å; C582-A585 PolarHBondContact O-N 2.84Å; L583-A585 PolarHBondContact O-N 2.83Å; A585-M589 WeakPolarHBondContact O-CB 3.41Å; A585-M589 VanDerWaalsContact O-CG 3.27Å; A585-M589 WeakPolarHBondContact O-CG 3.47Å; A585-M589 PolarHBondContact O-N 2.9Å
586L94.8Very high91.9Very high0 Ų038.8 Ų38.80%020%0.2CC..Hα-helixtrans-64.5-41.7173.8-71.7174.5000111.5I537 L541 C582 L583 D584 M589 A590 I600 I603 V604 L607I537-L586 HydrophobicContact CG2-CD2 3.52Å; I537-L586 HydrophobicContact CG2-CG 3.9Å; L541-L586 HydrophobicContact CD1-CD2 3.78Å; L541-L586 HydrophobicContact CD2-CD2 4.27Å; L541-L586 HydrophobicContact CG-CD2 4.31Å; C582-L586 WeakPolarHBondContact O-CG 3.35Å; C582-L586 PolarHBondContact O-N 2.75Å; L583-L586 HydrophobicContact CD2-CD1 4.44Å; L583-L586 WeakPolarHBondContact O-CB 3.12Å; L583-L586 PolarHBondContact O-N 2.89Å; D584-L586 VanDerWaalsContact C-N 3.3Å; D584-L586 PolarHBondContact O-N 2.82Å; L586-M589 PolarHBondContact O-N 3.32Å; L586-A590 VanDerWaalsContact O-CB 3.3Å; L586-A590 WeakPolarHBondContact O-CB 3.33Å; L586-A590 PolarHBondContact O-N 3.14Å; L586-I600 HydrophobicContact CB-CD1 3.93Å; L586-I603 HydrophobicContact CD2-CG2 3.92Å; L586-V604 HydrophobicContact CD1-CG2 3.99Å; L586-L607 HydrophobicContact CD1-CD1 3.79Å
587A92.6Very high91.9Very high1 Ų137 Ų371%0.00819%0.193CC..Hα-helixtrans-67.6-40.7176.100000113L583 D584 M589 A590 A591 W621 Y630 V633L583-A587 PolarHBondContact O-N 3.45Å; D584-A587 PolarHBondContact O-N 3.28Å; D584-A587 VanDerWaalsContact O-N 3.14Å; A587-M589 VanDerWaalsContact C-N 3.3Å; A587-M589 PolarHBondContact O-N 3.03Å; A587-A590 WeakPolarHBondContact O-CB 3.46Å; A587-A590 PolarHBondContact O-N 2.8Å; A587-A591 PolarHBondContact O-N 3.46Å; A587-W621 HydrophobicContact CB-CH2 4.33Å; A587-W621 HydrophobicContact CB-CZ2 3.7Å; A587-Y630 HydrophobicContact CB-CD1 3.84Å; A587-Y630 HydrophobicContact CB-CE1 3.89Å; A587-V633 HydrophobicContact CB-CG1 4.2Å; A587-V633 HydrophobicContact CB-CG2 4.45Å
588D90.8Very high91.8Very high50 Ų5032.8 Ų32.827%0.26719%0.192SC..Hα-helixtrans-59.7-43.3174.6-72.7-19.1000111.3D584 A591 S592 Y630D584-D588 PolarHBondContact O-N 2.89Å; D588-A591 PolarHBondContact O-N 3.16Å; D588-S592 PolarHBondContact O-N 3.16Å; D588-S592 PolarHBondContact O-OG 2.81Å; D588-Y630 PolarHBondContact OD1-OH 3.49Å
589M91Very high91.7Very high11 Ų1133 Ų335%0.05419%0.193CC..Hα-helixtrans-69.9-36.5176.5-72.5-63.4-75.500112.4Q538 L541 Q542 A585 L586 A587 S592 I593 V596Q538-M589 HydrophobicContact CB-SD 4.37Å; Q538-M589 HydrophobicContact CG-CG 3.91Å; Q538-M589 HydrophobicContact CG-SD 3.82Å; L541-M589 HydrophobicContact CB-CE 4.21Å; L541-M589 HydrophobicContact CD1-CB 3.54Å; L541-M589 HydrophobicContact CD1-CE 4.45Å; L541-M589 HydrophobicContact CD1-CG 3.87Å; Q542-M589 HydrophobicContact CG-CE 3.79Å; A585-M589 WeakPolarHBondContact O-CB 3.41Å; A585-M589 VanDerWaalsContact O-CG 3.27Å; A585-M589 WeakPolarHBondContact O-CG 3.47Å; A585-M589 PolarHBondContact O-N 2.9Å; L586-M589 PolarHBondContact O-N 3.32Å; A587-M589 VanDerWaalsContact C-N 3.3Å; A587-M589 PolarHBondContact O-N 3.03Å; M589-S592 PolarHBondContact O-N 3.41Å; M589-I593 HydrophobicContact CE-CD1 3.48Å; M589-I593 VanDerWaalsContact CE-CD1 3.48Å; M589-I593 HydrophobicContact CE-CG1 4.48Å; M589-I593 WeakPolarHBondContact O-CB 3.4Å; M589-I593 PolarHBondContact O-N 3.47Å; M589-V596 HydrophobicContact CB-CG1 4.48Å
590A91.5Very high91.7Very high1 Ų132.9 Ų32.91%0.00819%0.192CC..Hα-helixtrans-63.8-40.3172.800000111.7L586 A587 S592 V596 L597 I600 V633L586-A590 VanDerWaalsContact O-CB 3.3Å; L586-A590 WeakPolarHBondContact O-CB 3.33Å; L586-A590 PolarHBondContact O-N 3.14Å; A587-A590 WeakPolarHBondContact O-CB 3.46Å; A587-A590 PolarHBondContact O-N 2.8Å; A590-S592 PolarHBondContact O-N 3.08Å; A590-V596 HydrophobicContact CB-CG1 4.08Å; A590-L597 HydrophobicContact CB-CB 4.39Å; A590-L597 HydrophobicContact CB-CD1 4.06Å; A590-L597 WeakPolarHBondContact O-CB 3.29Å; A590-I600 HydrophobicContact CB-CB 4.49Å; A590-I600 HydrophobicContact CB-CD1 4.13Å; A590-I600 HydrophobicContact CB-CG1 4.27Å; A590-V633 HydrophobicContact CB-CG2 3.95Å
591A88.4Confident91.6Very high68 Ų6832 Ų3256%0.56219%0.191SC*.Hα-helixtrans-62-32.4175.500000112.1A587 D588A587-A591 PolarHBondContact O-N 3.46Å; D588-A591 PolarHBondContact O-N 3.16Å
592S86.7Confident91.7Very high97 Ų9738.3 Ų38.368%0.67821%0.214SC*.Hα-helixtrans-89.8-33.5-176.7-55.90000113.9D588 M589 A590D588-S592 PolarHBondContact O-N 3.16Å; D588-S592 PolarHBondContact O-OG 2.81Å; M589-S592 PolarHBondContact O-N 3.41Å; A590-S592 PolarHBondContact O-N 3.08Å
593I88.5Confident91.6Very high21 Ų2138.3 Ų38.311%0.10821%0.214CC..  trans-119.9110.4-171.4-55.2-177.7000110.4Y546 M589 I595 V596 L597Y546-I593 HydrophobicContact CD2-CG2 4.09Å; Y546-I593 HydrophobicContact CE2-CD1 4.49Å; M589-I593 HydrophobicContact CE-CD1 3.48Å; M589-I593 VanDerWaalsContact CE-CD1 3.48Å; M589-I593 HydrophobicContact CE-CG1 4.48Å; M589-I593 WeakPolarHBondContact O-CB 3.4Å; M589-I593 PolarHBondContact O-N 3.47Å; I593-I595 VanDerWaalsContact C-N 3.31Å; I593-I595 HydrophobicContact CG2-CG2 3.74Å; I593-I595 PolarHBondContact O-N 2.85Å; I593-V596 HydrophobicContact CB-CB 4.09Å; I593-V596 HydrophobicContact CB-CG2 3.82Å; I593-V596 HydrophobicContact CD1-CG2 4.45Å; I593-V596 HydrophobicContact CG2-CB 4.28Å; I593-V596 HydrophobicContact CG2-CG2 3.71Å; I593-V596 WeakPolarHBondContact O-CB 3.46Å; I593-V596 PolarHBondContact O-N 2.92Å; I593-L597 PolarHBondContact O-N 2.85Å
594K89.2Confident91.6Very high188 Ų18838.3 Ų38.382%0.81721%0.214SC*.Hα-helixtrans-55.2-39.3-175.6-66.4-176.9179.9178.50114.4L597 A598K594-L597 WeakPolarHBondContact O-CB 3.27Å; K594-L597 PolarHBondContact O-N 3.04Å; K594-A598 PolarHBondContact O-N 2.97Å
595I91.2Very high91.6Very high20 Ų2037.4 Ų37.410%0.10321%0.207CC..Hα-helixtrans-70.4-34.1179.6-164.9165.3000111.9V549 P551 Y554 I593 A598 T599V549-I595 VanDerWaalsContact O-CD1 3.25Å; V549-I595 WeakPolarHBondContact O-CD1 3.24Å; P551-I595 HydrophobicContact CB-CG1 4.49Å; P551-I595 HydrophobicContact CG-CG1 4.46Å; Y554-I595 HydrophobicContact CD1-CD1 4.33Å; Y554-I595 HydrophobicContact CD1-CG1 4.13Å; Y554-I595 HydrophobicContact CD1-CG2 4.46Å; Y554-I595 HydrophobicContact CD2-CD1 4.47Å; Y554-I595 HydrophobicContact CG-CD1 3.86Å; Y554-I595 HydrophobicContact CG-CG1 4.17Å; Y554-I595 HydrophobicContact CG-CG2 4.47Å; I593-I595 VanDerWaalsContact C-N 3.31Å; I593-I595 HydrophobicContact CG2-CG2 3.74Å; I593-I595 PolarHBondContact O-N 2.85Å; I595-A598 PolarHBondContact O-N 2.92Å; I595-T599 WeakPolarHBondContact O-CG2 3.34Å; I595-T599 PolarHBondContact O-N 2.93Å; I595-T599 PolarHBondContact O-OG1 2.95Å
596V91.7Very high91.6Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-66.5-45173.1178.80000109.3L541 Y554 M589 A590 I593 A598 T599 I600 I603L541-V596 HydrophobicContact CD1-CG1 4.18Å; Y554-V596 HydrophobicContact CE1-CG2 4.32Å; M589-V596 HydrophobicContact CB-CG1 4.48Å; A590-V596 HydrophobicContact CB-CG1 4.08Å; I593-V596 HydrophobicContact CB-CB 4.09Å; I593-V596 HydrophobicContact CB-CG2 3.82Å; I593-V596 HydrophobicContact CD1-CG2 4.45Å; I593-V596 HydrophobicContact CG2-CB 4.28Å; I593-V596 HydrophobicContact CG2-CG2 3.71Å; I593-V596 WeakPolarHBondContact O-CB 3.46Å; I593-V596 PolarHBondContact O-N 2.92Å; V596-A598 VanDerWaalsContact C-N 3.33Å; V596-A598 PolarHBondContact O-N 3.04Å; V596-T599 CarbonylContact O-C 3.56Å; V596-T599 PolarHBondContact O-N 2.93Å; V596-T599 VanDerWaalsContact O-N 3.07Å; V596-T599 PolarHBondContact O-OG1 3.32Å; V596-I600 WeakPolarHBondContact O-CA 3.43Å; V596-I600 WeakPolarHBondContact O-CB 3.44Å; V596-I600 PolarHBondContact O-N 3.31Å; V596-I603 HydrophobicContact CG1-CD1 3.98Å
597L91.6Very high91.6Very high39 Ų3937.9 Ų37.920%0.20421%0.211CC..Hα-helixtrans-56.2-45.5175-171.958.8000112.9A590 I593 K594 T599 I600 V633 N636A590-L597 HydrophobicContact CB-CB 4.39Å; A590-L597 HydrophobicContact CB-CD1 4.06Å; A590-L597 WeakPolarHBondContact O-CB 3.29Å; I593-L597 PolarHBondContact O-N 2.85Å; K594-L597 WeakPolarHBondContact O-CB 3.27Å; K594-L597 PolarHBondContact O-N 3.04Å; L597-T599 PolarHBondContact O-N 2.92Å; L597-I600 WeakPolarHBondContact O-CG2 3.31Å; L597-V633 HydrophobicContact CD1-CB 4.48Å; L597-V633 HydrophobicContact CD1-CG2 3.73Å; L597-N636 PolarHBondContact O-ND2 3.2Å
598A90Very high91.6Very high68 Ų6840.2 Ų40.256%0.56222%0.221SC*.Hα-helixtrans-67.6-19.3-179.500000113.2K594 I595 V596K594-A598 PolarHBondContact O-N 2.97Å; I595-A598 PolarHBondContact O-N 2.92Å; V596-A598 VanDerWaalsContact C-N 3.33Å; V596-A598 PolarHBondContact O-N 3.04Å
599T92.3Very high91.7Very high4 Ų443.8 Ų43.83%0.02524%0.236CC..Hα-helixtrans-117.51.7-175.156.50000113.8P551 L555 I595 V596 L597 A601 R602 I603P551-T599 HydrophobicContact CB-CG2 3.68Å; L555-T599 HydrophobicContact CD1-CG2 3.69Å; L555-T599 HydrophobicContact CD2-CG2 4.46Å; L555-T599 HydrophobicContact CG-CG2 3.87Å; I595-T599 WeakPolarHBondContact O-CG2 3.34Å; I595-T599 PolarHBondContact O-N 2.93Å; I595-T599 PolarHBondContact O-OG1 2.95Å; V596-T599 CarbonylContact O-C 3.56Å; V596-T599 PolarHBondContact O-N 2.93Å; V596-T599 VanDerWaalsContact O-N 3.07Å; V596-T599 PolarHBondContact O-OG1 3.32Å; L597-T599 PolarHBondContact O-N 2.92Å; T599-A601 VanDerWaalsContact C-N 3.33Å; T599-A601 PolarHBondContact O-N 3.06Å; T599-R602 WeakPolarHBondContact O-CA 3.43Å; T599-R602 WeakPolarHBondContact O-CB 3.29Å; T599-R602 PolarHBondContact O-N 3.08Å; T599-I603 WeakPolarHBondContact O-CG1 3.15Å; T599-I603 PolarHBondContact O-N 3.21Å
600I93.8Very high91.8Very high1 Ų144.6 Ų44.61%0.00524%0.24CC..Hα-helixtrans-53.4-44.3-169.9-169.859.1000113.5L586 A590 V596 L597 R602 I603 V604 V633 N636 M637L586-I600 HydrophobicContact CB-CD1 3.93Å; A590-I600 HydrophobicContact CB-CB 4.49Å; A590-I600 HydrophobicContact CB-CD1 4.13Å; A590-I600 HydrophobicContact CB-CG1 4.27Å; V596-I600 WeakPolarHBondContact O-CA 3.43Å; V596-I600 WeakPolarHBondContact O-CB 3.44Å; V596-I600 PolarHBondContact O-N 3.31Å; L597-I600 WeakPolarHBondContact O-CG2 3.31Å; I600-R602 VanDerWaalsContact C-N 3.29Å; I600-R602 PolarHBondContact O-N 2.76Å; I600-I603 WeakPolarHBondContact O-CB 3.44Å; I600-I603 PolarHBondContact O-N 3.49Å; I600-I603 VanDerWaalsContact O-N 3.13Å; I600-V604 HydrophobicContact CD1-CG2 4.37Å; I600-V604 WeakPolarHBondContact O-CG2 3.38Å; I600-V604 PolarHBondContact O-N 3.25Å; I600-V633 HydrophobicContact CG1-CG1 4.3Å; I600-N636 HydrophobicContact CG2-CB 3.84Å; I600-M637 HydrophobicContact CG1-SD 4.13Å; I600-M637 HydrophobicContact CG2-CG 4.18Å; I600-M637 HydrophobicContact CG2-SD 4.15Å
601A92.8Very high91.8Very high20 Ų2050.3 Ų50.317%0.16527%0.271CS..Hα-helixtrans-59.3-40.1176.800000112.5T599 H605 N636 M637 F640T599-A601 VanDerWaalsContact C-N 3.33Å; T599-A601 PolarHBondContact O-N 3.06Å; A601-H605 VanDerWaalsContact O-CB 3.23Å; A601-H605 WeakPolarHBondContact O-CB 3.37Å; A601-H605 PolarHBondContact O-N 3.05Å; A601-N636 WeakPolarHBondContact CB-O 3.34Å; A601-M637 WeakPolarHBondContact CA-SD 3.43Å; A601-M637 HydrophobicContact CB-SD 4.02Å; A601-F640 HydrophobicContact CB-CB 4.01Å
602R93Very high92.1Very high148 Ų14847.2 Ų47.256%0.55825%0.245SC*.Hα-helixtrans-73.5-33.5177.6-63.2-178.665.3-174-1.2111.9L555 T599 I600 S606L555-R602 HydrophobicContact CD1-CB 3.87Å; L555-R602 HydrophobicContact CD1-CG 4.37Å; L555-R602 HydrophobicContact CD2-CB 4.22Å; T599-R602 WeakPolarHBondContact O-CA 3.43Å; T599-R602 WeakPolarHBondContact O-CB 3.29Å; T599-R602 PolarHBondContact O-N 3.08Å; I600-R602 VanDerWaalsContact C-N 3.29Å; I600-R602 PolarHBondContact O-N 2.76Å; R602-S606 WeakPolarHBondContact O-CB 3.26Å; R602-S606 PolarHBondContact O-N 2.97Å; R602-S606 PolarHBondContact O-OG 2.73Å
603I94.5Very high92.5Very high0 Ų042.7 Ų42.70%021%0.213CC..Hα-helixtrans-64.7-50.3174.9-64.1174.1000109.9L541 Y554 L555 L558 F562 L586 V596 T599 I600 S606 L607L541-I603 HydrophobicContact CD2-CD1 4.08Å; L541-I603 HydrophobicContact CD2-CG2 4.34Å; Y554-I603 HydrophobicContact CE1-CD1 4.4Å; L555-I603 HydrophobicContact CD2-CG1 3.77Å; L558-I603 HydrophobicContact CD2-CD1 3.87Å; L558-I603 HydrophobicContact CD2-CG1 3.81Å; L558-I603 HydrophobicContact CD2-CG2 4.37Å; F562-I603 HydrophobicContact CE2-CG2 4.04Å; F562-I603 HydrophobicContact CZ-CG2 4.16Å; L586-I603 HydrophobicContact CD2-CG2 3.92Å; V596-I603 HydrophobicContact CG1-CD1 3.98Å; T599-I603 WeakPolarHBondContact O-CG1 3.15Å; T599-I603 PolarHBondContact O-N 3.21Å; I600-I603 WeakPolarHBondContact O-CB 3.44Å; I600-I603 PolarHBondContact O-N 3.49Å; I600-I603 VanDerWaalsContact O-N 3.13Å; I603-S606 WeakPolarHBondContact O-CB 3.35Å; I603-S606 PolarHBondContact O-N 3.08Å; I603-L607 HydrophobicContact CG2-CD1 4.48Å; I603-L607 PolarHBondContact O-N 3.02Å
604V94.3Very high92.7Very high0 Ų045.8 Ų45.80%023%0.227CC..Hα-helixtrans-62.6-45178.2177.80000110.5L583 L586 I600 S606 L607 F608 L613 I618 M637 F640L583-V604 HydrophobicContact CD2-CG1 4.01Å; L583-V604 HydrophobicContact CD2-CG2 4.14Å; L586-V604 HydrophobicContact CD1-CG2 3.99Å; I600-V604 HydrophobicContact CD1-CG2 4.37Å; I600-V604 WeakPolarHBondContact O-CG2 3.38Å; I600-V604 PolarHBondContact O-N 3.25Å; V604-S606 VanDerWaalsContact C-N 3.27Å; V604-S606 PolarHBondContact O-N 3.09Å; V604-L607 PolarHBondContact O-N 3.06Å; V604-L607 VanDerWaalsContact O-N 3.14Å; V604-F608 PolarHBondContact O-N 3.14Å; V604-L613 HydrophobicContact CG1-CD1 4.18Å; V604-I618 HydrophobicContact CG1-CD1 3.94Å; V604-I618 HydrophobicContact CG1-CG1 4.14Å; V604-I618 HydrophobicContact CG1-CG2 4.19Å; V604-M637 HydrophobicContact CB-CE 3.89Å; V604-M637 HydrophobicContact CB-SD 4.29Å; V604-M637 HydrophobicContact CG1-CE 3.89Å; V604-M637 HydrophobicContact CG2-CE 3.92Å; V604-M637 HydrophobicContact CG2-SD 3.98Å; V604-F640 HydrophobicContact CB-CE1 4.43Å; V604-F640 HydrophobicContact CG1-CE1 3.92Å
605H93.1Very high92.8Very high48 Ų4839 Ų3922%0.22220%0.198CC..Hα-helixtrans-56.5-41.5174-176.8-128.4000112.4A601 L607 F608 E609 F640 W643A601-H605 VanDerWaalsContact O-CB 3.23Å; A601-H605 WeakPolarHBondContact O-CB 3.37Å; A601-H605 PolarHBondContact O-N 3.05Å; H605-L607 VanDerWaalsContact C-N 3.35Å; H605-L607 PolarHBondContact O-N 2.91Å; H605-F608 WeakPolarHBondContact O-CB 3.44Å; H605-F608 PolarHBondContact O-N 3.13Å; H605-E609 IonicContact CE1-OE1 3.86Å; H605-E609 PolarHBondContact CE1-OE1 3.03Å; H605-E609 IonicContact ND1-OE1 2.6Å; H605-E609 IonicContact NE2-OE1 2.74Å; H605-E609 WeakPolarHBondContact O-CG 3.23Å; H605-E609 PolarHBondContact O-N 2.92Å; H605-F640 HydrophobicContact CB-CD2 4.07Å; H605-F640 HydrophobicContact CB-CE1 4.41Å; H605-F640 HydrophobicContact CB-CE2 3.6Å; H605-F640 HydrophobicContact CB-CZ 3.78Å; H605-F640 AromaticContact CD2-CE2 3.22Å; H605-F640 WeakPolarHBondContact CD2-CE2 3.5Å; H605-F640 AromaticContact CD2-CZ 3.73Å; H605-F640 AromaticContact CG-CE2 3.62Å; H605-W643 AromaticContact NE2-CH2 3.9Å
606S92.6Very high92.8Very high11 Ų1142.9 Ų42.98%0.07722%0.219CC..Hα-helixtrans-65.7-37178.5-56.40000112.6L559 R602 I603 V604 L610L559-S606 WeakPolarHBondContact CD2-OG 3.47Å; R602-S606 WeakPolarHBondContact O-CB 3.26Å; R602-S606 PolarHBondContact O-N 2.97Å; R602-S606 PolarHBondContact O-OG 2.73Å; I603-S606 WeakPolarHBondContact O-CB 3.35Å; I603-S606 PolarHBondContact O-N 3.08Å; V604-S606 VanDerWaalsContact C-N 3.27Å; V604-S606 PolarHBondContact O-N 3.09Å; S606-L610 WeakPolarHBondContact O-CB 3.46Å; S606-L610 WeakPolarHBondContact O-CD1 3.16Å; S606-L610 WeakPolarHBondContact O-CG 3.46Å; S606-L610 PolarHBondContact O-N 3.13Å; S606-L610 VanDerWaalsContact O-N 3.15Å
607L93.9Very high92.9Very high0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-73.4-31176.7-71.2172.5000112.1F562 L569 L586 I603 V604 H605 L610 V612 L613F562-L607 HydrophobicContact CD1-CD2 4.41Å; F562-L607 HydrophobicContact CD2-CD2 3.96Å; F562-L607 HydrophobicContact CD2-CG 4.4Å; F562-L607 HydrophobicContact CE1-CD2 4.35Å; F562-L607 HydrophobicContact CE2-CD1 4.4Å; F562-L607 HydrophobicContact CE2-CD2 3.89Å; F562-L607 HydrophobicContact CE2-CG 3.98Å; F562-L607 HydrophobicContact CG-CD2 4.23Å; F562-L607 HydrophobicContact CZ-CD1 4.31Å; F562-L607 HydrophobicContact CZ-CD2 4.09Å; F562-L607 HydrophobicContact CZ-CG 4.31Å; L569-L607 HydrophobicContact CD1-CD2 4.39Å; L586-L607 HydrophobicContact CD1-CD1 3.79Å; I603-L607 HydrophobicContact CG2-CD1 4.48Å; I603-L607 PolarHBondContact O-N 3.02Å; V604-L607 PolarHBondContact O-N 3.06Å; V604-L607 VanDerWaalsContact O-N 3.14Å; H605-L607 VanDerWaalsContact C-N 3.35Å; H605-L607 PolarHBondContact O-N 2.91Å; L607-L610 PolarHBondContact O-N 3.25Å; L607-V612 HydrophobicContact CB-CB 4.36Å; L607-V612 HydrophobicContact CD2-CB 4.16Å; L607-V612 HydrophobicContact CD2-CG1 4.24Å; L607-V612 HydrophobicContact CD2-CG2 4.32Å; L607-V612 WeakPolarHBondContact O-CB 3.5Å; L607-V612 PolarHBondContact O-N 3.29Å; L607-L613 HydrophobicContact CB-CD1 3.71Å; L607-L613 HydrophobicContact CB-CG 3.99Å; L607-L613 HydrophobicContact CD1-CD1 4.08Å; L607-L613 PolarHBondContact O-N 2.82Å
608F93.3Very high93Very high50 Ų5043.2 Ų43.222%0.21922%0.218CC..Hα-helixtrans-64.3-51.3169.2172.8-106.6000111.3V604 H605 L610 D611 L613 E615 I618 W643 L644V604-F608 PolarHBondContact O-N 3.14Å; H605-F608 WeakPolarHBondContact O-CB 3.44Å; H605-F608 PolarHBondContact O-N 3.13Å; F608-L610 PolarHBondContact O-N 2.95Å; F608-L610 VanDerWaalsContact O-N 3.11Å; F608-D611 PolarHBondContact O-N 2.85Å; F608-L613 WeakPolarHBondContact CD2-O 3.49Å; F608-E615 HydrophobicContact CE2-CB 3.92Å; F608-I618 HydrophobicContact CB-CD1 4.02Å; F608-I618 HydrophobicContact CD2-CD1 4.06Å; F608-I618 HydrophobicContact CG-CD1 4.33Å; F608-W643 HydrophobicContact CE1-CZ3 4.43Å; F608-L644 HydrophobicContact CE1-CD2 4.15Å; F608-L644 HydrophobicContact CZ-CD2 4.16Å
609E92.5Very high93.1Very high124 Ų12440.9 Ų40.958%0.57920%0.196SC*.Hα-helixtrans-59.5-24.9176.2-74.4-176.1157.400113.5H605 D611H605-E609 IonicContact CE1-OE1 3.86Å; H605-E609 PolarHBondContact CE1-OE1 3.03Å; H605-E609 IonicContact ND1-OE1 2.6Å; H605-E609 IonicContact NE2-OE1 2.74Å; H605-E609 WeakPolarHBondContact O-CG 3.23Å; H605-E609 PolarHBondContact O-N 2.92Å; E609-D611 VanDerWaalsContact C-N 3.35Å
610L92.2Very high93Very high28 Ų2846.3 Ų46.315%0.14722%0.219CC..THydrogen-bonded Turntrans-89.65.6177.9-71.6174.2000113.5F562 L566 K570 S606 L607 F608 V612F562-L610 HydrophobicContact CB-CD1 3.92Å; L566-L610 HydrophobicContact CD1-CB 3.85Å; L566-L610 HydrophobicContact CD1-CD1 4.44Å; L566-L610 HydrophobicContact CD1-CD2 4.33Å; L566-L610 HydrophobicContact CD1-CG 4.44Å; L566-L610 HydrophobicContact CD2-CD2 4.27Å; K570-L610 WeakPolarHBondContact CE-O 3.24Å; K570-L610 PolarHBondContact NZ-O 2.99Å; S606-L610 WeakPolarHBondContact O-CB 3.46Å; S606-L610 WeakPolarHBondContact O-CD1 3.16Å; S606-L610 WeakPolarHBondContact O-CG 3.46Å; S606-L610 PolarHBondContact O-N 3.13Å; S606-L610 VanDerWaalsContact O-N 3.15Å; L607-L610 PolarHBondContact O-N 3.25Å; F608-L610 PolarHBondContact O-N 2.95Å; F608-L610 VanDerWaalsContact O-N 3.11Å; L610-V612 HydrophobicContact CB-CG2 4.14Å; L610-V612 PolarHBondContact O-N 2.92Å
611D93Very high93Very high122 Ų12246.9 Ų46.965%0.65222%0.221SC*.THydrogen-bonded Turntrans50.937.3-171-30.2-66.1000113.6K570 F608 E609K570-D611 IonicContact NZ-OD2 3.08Å; K570-D611 PolarHBondContact NZ-OD2 2.81Å; F608-D611 PolarHBondContact O-N 2.85Å; E609-D611 VanDerWaalsContact C-N 3.35Å
612V93.7Very high93Very high2 Ų247.4 Ų47.41%0.01222%0.219CC..SBendtrans-92-29.7170.6-179.10000110.5L566 L569 K570 F573 L607 L610L566-V612 HydrophobicContact CD1-CG2 3.82Å; L569-V612 HydrophobicContact CB-CG1 4.27Å; L569-V612 HydrophobicContact CB-CG2 4.18Å; K570-V612 HydrophobicContact CG-CG2 4.42Å; F573-V612 HydrophobicContact CB-CG1 3.96Å; F573-V612 HydrophobicContact CD2-CG1 4.05Å; F573-V612 HydrophobicContact CG-CG1 4.22Å; L607-V612 HydrophobicContact CB-CB 4.36Å; L607-V612 HydrophobicContact CD2-CB 4.16Å; L607-V612 HydrophobicContact CD2-CG1 4.24Å; L607-V612 HydrophobicContact CD2-CG2 4.32Å; L607-V612 WeakPolarHBondContact O-CB 3.5Å; L607-V612 PolarHBondContact O-N 3.29Å; L610-V612 HydrophobicContact CB-CG2 4.14Å; L610-V612 PolarHBondContact O-N 2.92Å
613L94.8Very high92.9Very high3 Ų345.7 Ų45.72%0.01622%0.221CC..SBendtrans-123136.2177.5-64.3175.5000110.6Q579 C582 L583 V604 L607 F608 I618Q579-L613 HydrophobicContact CB-CD2 3.89Å; Q579-L613 HydrophobicContact CG-CD2 4.23Å; Q579-L613 VanDerWaalsContact OE1-CA 3.27Å; C582-L613 HydrophobicContact CB-CD2 4.2Å; L583-L613 HydrophobicContact CD2-CD1 3.74Å; L583-L613 HydrophobicContact CG-CD1 4.23Å; L583-L613 HydrophobicContact CG-CD2 4.25Å; V604-L613 HydrophobicContact CG1-CD1 4.18Å; L607-L613 HydrophobicContact CB-CD1 3.71Å; L607-L613 HydrophobicContact CB-CG 3.99Å; L607-L613 HydrophobicContact CD1-CD1 4.08Å; L607-L613 PolarHBondContact O-N 2.82Å; F608-L613 WeakPolarHBondContact CD2-O 3.49Å; L613-I618 HydrophobicContact CB-CD1 4.06Å; L613-I618 HydrophobicContact CB-CG1 4.28Å
614E93.2Very high92.5Very high86 Ų8648.4 Ų48.440%0.40225%0.249SC..  trans-93148.3173.4-70.6164.1-141.500111.1Q579 D616 Y617 I618Q579-E614 PolarHBondContact NE2-OE1 2.96Å; E614-D616 PolarHBondContact O-N 3.42Å; E614-Y617 HydrophobicContact CB-CD2 3.76Å; E614-Y617 HydrophobicContact CB-CE2 3.8Å; E614-Y617 VanDerWaalsContact CD-CE2 3.48Å; E614-Y617 HydrophobicContact CG-CD2 4.5Å; E614-Y617 HydrophobicContact CG-CE2 4.15Å; E614-Y617 PolarHBondContact O-N 2.71Å; E614-Y617 WeakPolarHBondContact OE2-CE2 3.48Å; E614-Y617 VanDerWaalsContact OE2-CZ 3.25Å; E614-Y617 PolarHBondContact OE2-OH 2.94Å; E614-I618 WeakPolarHBondContact O-CG1 3.18Å; E614-I618 PolarHBondContact O-N 2.84Å
615E91.8Very high92.1Very high46 Ų4649.1 Ų49.122%0.21525%0.253CS..Hα-helixtrans-56.4-49.8-178.1-177.8171.1165.100112.8F608 Y617 I618 L619 L644F608-E615 HydrophobicContact CE2-CB 3.92Å; E615-Y617 PolarHBondContact O-N 3.24Å; E615-Y617 VanDerWaalsContact O-N 3.12Å; E615-I618 WeakPolarHBondContact O-CB 3.46Å; E615-I618 PolarHBondContact O-N 2.98Å; E615-L619 HydrophobicContact CG-CD1 4.14Å; E615-L619 HydrophobicContact CG-CG 4.42Å; E615-L619 PolarHBondContact O-N 2.79Å; E615-L644 HydrophobicContact CG-CD2 4.21Å
616D91Very high91.5Very high101 Ų10153 Ų5354%0.5427%0.269SS..Hα-helixtrans-50.1-42179.3-73.4-13.6000112.3E614 K620E614-D616 PolarHBondContact O-N 3.42Å; D616-K620 WeakPolarHBondContact O-CB 3.26Å; D616-K620 PolarHBondContact O-N 2.92Å
617Y93.2Very high90.6Very high45 Ų4558.5 Ų58.518%0.17629%0.294CS..Hα-helixtrans-80-30.7-176.9-49.6-36.4000112.2E576 Q579 E614 E615 W621E576-Y617 HydrophobicContact CB-CD1 4.29Å; E576-Y617 HydrophobicContact CB-CE1 3.81Å; E576-Y617 HydrophobicContact CB-CE2 4.38Å; E576-Y617 HydrophobicContact CG-CD1 3.76Å; E576-Y617 HydrophobicContact CG-CE1 3.67Å; E576-Y617 HydrophobicContact CG-CG 4.41Å; Q579-Y617 HydrophobicContact CB-CD2 3.92Å; Q579-Y617 HydrophobicContact CG-CD2 4.29Å; E614-Y617 HydrophobicContact CB-CD2 3.76Å; E614-Y617 HydrophobicContact CB-CE2 3.8Å; E614-Y617 VanDerWaalsContact CD-CE2 3.48Å; E614-Y617 HydrophobicContact CG-CD2 4.5Å; E614-Y617 HydrophobicContact CG-CE2 4.15Å; E614-Y617 PolarHBondContact O-N 2.71Å; E614-Y617 WeakPolarHBondContact OE2-CE2 3.48Å; E614-Y617 VanDerWaalsContact OE2-CZ 3.25Å; E614-Y617 PolarHBondContact OE2-OH 2.94Å; E615-Y617 PolarHBondContact O-N 3.24Å; E615-Y617 VanDerWaalsContact O-N 3.12Å; Y617-W621 WeakPolarHBondContact O-CB 3.26Å; Y617-W621 PolarHBondContact O-N 2.65Å
618I93.2Very high89.7Confident0 Ų066.4 Ų66.40%034%0.336CS..Hα-helixtrans-63.6-47.8172-63.6166.3000109.6L583 V604 F608 L613 E614 E615 W621 Y622 F640 L644L583-I618 HydrophobicContact CD1-CG1 4.26Å; L583-I618 HydrophobicContact CD2-CG1 4.46Å; V604-I618 HydrophobicContact CG1-CD1 3.94Å; V604-I618 HydrophobicContact CG1-CG1 4.14Å; V604-I618 HydrophobicContact CG1-CG2 4.19Å; F608-I618 HydrophobicContact CB-CD1 4.02Å; F608-I618 HydrophobicContact CD2-CD1 4.06Å; F608-I618 HydrophobicContact CG-CD1 4.33Å; L613-I618 HydrophobicContact CB-CD1 4.06Å; L613-I618 HydrophobicContact CB-CG1 4.28Å; E614-I618 WeakPolarHBondContact O-CG1 3.18Å; E614-I618 PolarHBondContact O-N 2.84Å; E615-I618 WeakPolarHBondContact O-CB 3.46Å; E615-I618 PolarHBondContact O-N 2.98Å; I618-W621 PolarHBondContact O-N 2.8Å; I618-Y622 WeakPolarHBondContact O-CB 3.29Å; I618-Y622 PolarHBondContact O-N 3.49Å; I618-F640 HydrophobicContact CG2-CE1 4.39Å; I618-L644 HydrophobicContact CB-CD1 4.37Å; I618-L644 HydrophobicContact CD1-CD1 4.5Å; I618-L644 HydrophobicContact CG2-CD1 3.82Å
619L92.2Very high88.9Confident20 Ų2069.8 Ų69.811%0.10535%0.352CS..Hα-helixtrans-64.5-45.8178.2-65.7179.9000111.4E615 W621 Y622 N623 V641 L644 Q645E615-L619 HydrophobicContact CG-CD1 4.14Å; E615-L619 HydrophobicContact CG-CG 4.42Å; E615-L619 PolarHBondContact O-N 2.79Å; L619-W621 PolarHBondContact O-N 2.91Å; L619-Y622 PolarHBondContact O-N 3.02Å; L619-N623 WeakPolarHBondContact O-CB 3.44Å; L619-N623 VanDerWaalsContact O-CG 3.32Å; L619-N623 PolarHBondContact O-N 2.78Å; L619-N623 PolarHBondContact O-ND2 2.93Å; L619-N623 VanDerWaalsContact O-ND2 3.08Å; L619-V641 HydrophobicContact CD2-CG1 3.84Å; L619-L644 HydrophobicContact CD2-CB 4.32Å; L619-Q645 HydrophobicContact CD2-CG 3.89Å
620K91.8Very high88.6Confident118 Ų11866.2 Ų66.251%0.51333%0.334SS..Hα-helixtrans-59.3-45.5176.9-177.3174.5-176.7171.30111.9E576 D616 G624E576-K620 IonicContact OE1-NZ 3.96Å; E576-K620 PolarHBondContact OE1-NZ 3.28Å; D616-K620 WeakPolarHBondContact O-CB 3.26Å; D616-K620 PolarHBondContact O-N 2.92Å; K620-G624 PolarHBondContact O-N 3.32Å
621W94.1Very high88.4Confident13 Ų1367.6 Ų67.65%0.04935%0.349CS..Hα-helixtrans-63.6-48.6177.2172.478.8000111.7L580 L583 D584 A587 Y617 I618 L619 N623 G624 L625 V633 M637L580-W621 HydrophobicContact CD2-CB 3.82Å; L583-W621 HydrophobicContact CB-CB 4.43Å; L583-W621 HydrophobicContact CB-CD2 3.64Å; L583-W621 HydrophobicContact CB-CE3 4.26Å; L583-W621 HydrophobicContact CB-CG 3.69Å; L583-W621 HydrophobicContact CB-CZ2 4.15Å; L583-W621 HydrophobicContact CD1-CB 3.63Å; L583-W621 HydrophobicContact CD1-CD2 4.07Å; L583-W621 HydrophobicContact CD1-CE3 4.3Å; L583-W621 HydrophobicContact CD1-CG 3.78Å; L583-W621 HydrophobicContact CD2-CD2 4.35Å; L583-W621 HydrophobicContact CD2-CE3 4.12Å; L583-W621 HydrophobicContact CD2-CZ3 4.32Å; L583-W621 HydrophobicContact CG-CD2 4.25Å; L583-W621 HydrophobicContact CG-CE3 4.48Å; L583-W621 HydrophobicContact CG-CG 4.31Å; L583-W621 WeakPolarHBondContact O-CZ2 3.45Å; D584-W621 VanDerWaalsContact OD1-CD1 3.31Å; D584-W621 PolarHBondContact OD1-NE1 3.32Å; A587-W621 HydrophobicContact CB-CH2 4.33Å; A587-W621 HydrophobicContact CB-CZ2 3.7Å; Y617-W621 WeakPolarHBondContact O-CB 3.26Å; Y617-W621 PolarHBondContact O-N 2.65Å; I618-W621 PolarHBondContact O-N 2.8Å; L619-W621 PolarHBondContact O-N 2.91Å; W621-N623 VanDerWaalsContact C-N 3.32Å; W621-N623 PolarHBondContact O-N 2.79Å; W621-G624 CarbonylContact O-C 3.39Å; W621-G624 WeakPolarHBondContact O-CA 3.06Å; W621-G624 PolarHBondContact O-N 3.48Å; W621-L625 HydrophobicContact CD2-CD1 4.17Å; W621-L625 HydrophobicContact CD2-CG 4.33Å; W621-L625 HydrophobicContact CE3-CD1 4.02Å; W621-L625 HydrophobicContact CH2-CD1 3.73Å; W621-L625 HydrophobicContact CH2-CD2 4.44Å; W621-L625 HydrophobicContact CZ2-CD1 3.87Å; W621-L625 HydrophobicContact CZ2-CD2 3.81Å; W621-L625 HydrophobicContact CZ2-CG 4.18Å; W621-L625 HydrophobicContact CZ3-CD1 3.79Å; W621-L625 PolarHBondContact O-N 2.9Å; W621-L625 VanDerWaalsContact O-N 3.09Å; W621-V633 HydrophobicContact CH2-CG1 4.14Å; W621-M637 HydrophobicContact CZ3-CE 4.25Å; W621-M637 HydrophobicContact CZ3-CG 4.46Å
622Y92.3Very high88.1Confident31 Ų3164.8 Ų64.812%0.12234%0.339CS..Hα-helixtrans-61-41.4-177.5179.1-97.5000112.5I618 L619 G624 L625 K634 M637 A638 V641I618-Y622 WeakPolarHBondContact O-CB 3.29Å; I618-Y622 PolarHBondContact O-N 3.49Å; L619-Y622 PolarHBondContact O-N 3.02Å; Y622-G624 VanDerWaalsContact C-N 3.27Å; Y622-G624 PolarHBondContact O-N 2.93Å; Y622-L625 HydrophobicContact CD2-CD1 4.07Å; Y622-L625 PolarHBondContact O-N 3.07Å; Y622-K634 HydrophobicContact CD2-CG 4.31Å; Y622-K634 HydrophobicContact CE2-CB 4.33Å; Y622-K634 HydrophobicContact CE2-CG 3.53Å; Y622-K634 WeakPolarHBondContact CE2-O 3.27Å; Y622-K634 PolarHBondContact OH-O 2.8Å; Y622-M637 HydrophobicContact CD2-CB 3.97Å; Y622-M637 HydrophobicContact CE2-CB 3.75Å; Y622-A638 WeakPolarHBondContact OH-CB 3.35Å; Y622-V641 HydrophobicContact CD1-CB 4.25Å; Y622-V641 HydrophobicContact CD1-CG1 3.7Å; Y622-V641 HydrophobicContact CD1-CG2 3.98Å; Y622-V641 HydrophobicContact CD2-CG2 3.68Å; Y622-V641 HydrophobicContact CE1-CB 4.23Å; Y622-V641 HydrophobicContact CE1-CG1 3.88Å; Y622-V641 HydrophobicContact CE1-CG2 4.26Å; Y622-V641 HydrophobicContact CE2-CG2 3.99Å; Y622-V641 HydrophobicContact CG-CB 4.42Å; Y622-V641 HydrophobicContact CG-CG1 4.21Å; Y622-V641 HydrophobicContact CG-CG2 3.66Å
623N89.3Confident87.9Confident111 Ų11164.9 Ų64.959%0.59434%0.34SS*.Hα-helixtrans-68.6-26.5176.3-70.6-34.9000112.7L619 W621L619-N623 WeakPolarHBondContact O-CB 3.44Å; L619-N623 VanDerWaalsContact O-CG 3.32Å; L619-N623 PolarHBondContact O-N 2.78Å; L619-N623 PolarHBondContact O-ND2 2.93Å; L619-N623 VanDerWaalsContact O-ND2 3.08Å; W621-N623 VanDerWaalsContact C-N 3.32Å; W621-N623 PolarHBondContact O-N 2.79Å
624G87.1Confident87.7Confident58 Ų5866.7 Ų66.760%0.59835%0.348SS*.Hα-helixtrans-84.5-11176.700000115.3K620 W621 Y622 K626K620-G624 PolarHBondContact O-N 3.32Å; W621-G624 CarbonylContact O-C 3.39Å; W621-G624 WeakPolarHBondContact O-CA 3.06Å; W621-G624 PolarHBondContact O-N 3.48Å; Y622-G624 VanDerWaalsContact C-N 3.27Å; Y622-G624 PolarHBondContact O-N 2.93Å; G624-K626 PolarHBondContact O-N 2.83Å
625L85.9Confident87.5Confident14 Ų1469.4 Ų69.47%0.07336%0.36CS..  trans-63.3123.5-178.2-82.1162.8000111.9W621 Y622 E627 Y630W621-L625 HydrophobicContact CD2-CD1 4.17Å; W621-L625 HydrophobicContact CD2-CG 4.33Å; W621-L625 HydrophobicContact CE3-CD1 4.02Å; W621-L625 HydrophobicContact CH2-CD1 3.73Å; W621-L625 HydrophobicContact CH2-CD2 4.44Å; W621-L625 HydrophobicContact CZ2-CD1 3.87Å; W621-L625 HydrophobicContact CZ2-CD2 3.81Å; W621-L625 HydrophobicContact CZ2-CG 4.18Å; W621-L625 HydrophobicContact CZ3-CD1 3.79Å; W621-L625 PolarHBondContact O-N 2.9Å; W621-L625 VanDerWaalsContact O-N 3.09Å; Y622-L625 HydrophobicContact CD2-CD1 4.07Å; Y622-L625 PolarHBondContact O-N 3.07Å; L625-E627 PolarHBondContact O-N 2.97Å; L625-Y630 HydrophobicContact CD2-CD2 4.04Å; L625-Y630 HydrophobicContact CD2-CG 4.06Å
626K80.2Confident87.5Confident131 Ų13170.1 Ų70.157%0.5737%0.366SS*.  trans-69.2118.7174.3-62.7177.2-170.2164.50110.4G624 N628 E629 Y630G624-K626 PolarHBondContact O-N 2.83Å; K626-N628 PolarHBondContact O-N 2.96Å; K626-N628 VanDerWaalsContact O-N 3.17Å; K626-E629 IonicContact NZ-OE2 3.51Å; K626-E629 PolarHBondContact O-N 3.14Å; K626-Y630 PolarHBondContact O-N 3.09Å
627E73.8Confident87.6Confident125 Ų12565.3 Ų65.358%0.58434%0.34SS*.Hα-helixtrans-59.9-29.3-178.9-76-179.617900113.6L625 E629 A631 K634L625-E627 PolarHBondContact O-N 2.97Å; E627-E629 VanDerWaalsContact C-N 3.34Å; E627-E629 PolarHBondContact O-N 2.85Å; E627-A631 WeakPolarHBondContact O-CB 3.28Å; E627-A631 PolarHBondContact O-N 2.95Å; E627-K634 HydrophobicContact CG-CD 3.98Å; E627-K634 IonicContact OE1-NZ 3.05Å; E627-K634 PolarHBondContact OE1-NZ 2.83Å
628N76.3Confident87.5Confident166 Ų16664.6 Ų64.689%0.88834%0.343SS*.Hα-helixtrans-70.7-28.4-177.5-62.9-13.2000113.6K626K626-N628 PolarHBondContact O-N 2.96Å; K626-N628 VanDerWaalsContact O-N 3.17Å
629E76.4Confident87.3Confident121 Ų12169 Ų6957%0.56537%0.372SS*.Hα-helixtrans-102.4-35.3-173.6-71.4168.6-176.200111.6K626 E627K626-E629 IonicContact NZ-OE2 3.51Å; K626-E629 PolarHBondContact O-N 3.14Å; E627-E629 VanDerWaalsContact C-N 3.34Å; E627-E629 PolarHBondContact O-N 2.85Å
630Y85.6Confident87.2Confident50 Ų5069 Ų6920%0.19637%0.371CS..Hα-helixtrans-125.729.7-171.1-58.8-80.4000113.9A587 D588 L625 K626 S632 V633 K634A587-Y630 HydrophobicContact CB-CD1 3.84Å; A587-Y630 HydrophobicContact CB-CE1 3.89Å; D588-Y630 PolarHBondContact OD1-OH 3.49Å; L625-Y630 HydrophobicContact CD2-CD2 4.04Å; L625-Y630 HydrophobicContact CD2-CG 4.06Å; K626-Y630 PolarHBondContact O-N 3.09Å; Y630-S632 VanDerWaalsContact C-N 3.29Å; Y630-S632 PolarHBondContact O-N 2.87Å; Y630-V633 HydrophobicContact CD1-CG2 4.26Å; Y630-V633 PolarHBondContact O-N 3.23Å; Y630-K634 PolarHBondContact O-N 2.83Å
631A86.6Confident87.1Confident56 Ų5663.5 Ų63.546%0.46335%0.347SS..Hα-helixtrans-47.9-48.4179.900000113.3E627 V633 K634 Q635E627-A631 WeakPolarHBondContact O-CB 3.28Å; E627-A631 PolarHBondContact O-N 2.95Å; A631-V633 PolarHBondContact O-N 2.76Å; A631-K634 PolarHBondContact O-N 3.04Å; A631-Q635 WeakPolarHBondContact O-CB 3.34Å; A631-Q635 PolarHBondContact O-N 3.37Å
632S87.7Confident86.9Confident64 Ų6466 Ų6645%0.44836%0.364SS..Hα-helixtrans-68.5-33.2-178.6-54.70000113Y630 N636Y630-S632 VanDerWaalsContact C-N 3.29Å; Y630-S632 PolarHBondContact O-N 2.87Å; S632-N636 PolarHBondContact O-N 3.45Å; S632-N636 VanDerWaalsContact O-N 3.14Å
633V89.9Confident86.8Confident3 Ų370.1 Ų70.12%0.01838%0.379CS..Hα-helixtrans-67.9-46.8174.91790000109.5A587 A590 L597 I600 W621 Y630 A631 Q635 N636 M637A587-V633 HydrophobicContact CB-CG1 4.2Å; A587-V633 HydrophobicContact CB-CG2 4.45Å; A590-V633 HydrophobicContact CB-CG2 3.95Å; L597-V633 HydrophobicContact CD1-CB 4.48Å; L597-V633 HydrophobicContact CD1-CG2 3.73Å; I600-V633 HydrophobicContact CG1-CG1 4.3Å; W621-V633 HydrophobicContact CH2-CG1 4.14Å; Y630-V633 HydrophobicContact CD1-CG2 4.26Å; Y630-V633 PolarHBondContact O-N 3.23Å; A631-V633 PolarHBondContact O-N 2.76Å; V633-Q635 VanDerWaalsContact C-N 3.32Å; V633-Q635 PolarHBondContact O-N 3.03Å; V633-N636 PolarHBondContact O-N 3.44Å; V633-M637 HydrophobicContact CG1-CG 4.21Å; V633-M637 WeakPolarHBondContact O-CB 3.35Å; V633-M637 WeakPolarHBondContact O-CG 3.34Å; V633-M637 PolarHBondContact O-N 2.85Å
634K89.8Confident86.7Confident42 Ų4264.9 Ų64.918%0.18335%0.351CS..Hα-helixtrans-58.8-44.4178.1-159.9176.2-174.8-179.70111.2Y622 E627 Y630 A631 N636 M637 A638Y622-K634 HydrophobicContact CD2-CG 4.31Å; Y622-K634 HydrophobicContact CE2-CB 4.33Å; Y622-K634 HydrophobicContact CE2-CG 3.53Å; Y622-K634 WeakPolarHBondContact CE2-O 3.27Å; Y622-K634 PolarHBondContact OH-O 2.8Å; E627-K634 HydrophobicContact CG-CD 3.98Å; E627-K634 IonicContact OE1-NZ 3.05Å; E627-K634 PolarHBondContact OE1-NZ 2.83Å; Y630-K634 PolarHBondContact O-N 2.83Å; A631-K634 PolarHBondContact O-N 3.04Å; K634-N636 PolarHBondContact O-N 2.8Å; K634-M637 PolarHBondContact O-N 2.96Å; K634-A638 PolarHBondContact O-N 2.83Å
635Q90.4Very high86.6Confident143 Ų14366 Ų6667%0.66834%0.341SS*.Hα-helixtrans-60.1-45176.6-174.51807.800112.7A631 V633A631-Q635 WeakPolarHBondContact O-CB 3.34Å; A631-Q635 PolarHBondContact O-N 3.37Å; V633-Q635 VanDerWaalsContact C-N 3.32Å; V633-Q635 PolarHBondContact O-N 3.03Å
636N90.9Very high86.5Confident61 Ų6171 Ų7133%0.32636%0.364SS..Hα-helixtrans-74.5-27.8-178.7-74.2-6.4000113L597 I600 A601 S632 V633 K634L597-N636 PolarHBondContact O-ND2 3.2Å; I600-N636 HydrophobicContact CG2-CB 3.84Å; A601-N636 WeakPolarHBondContact CB-O 3.34Å; S632-N636 PolarHBondContact O-N 3.45Å; S632-N636 VanDerWaalsContact O-N 3.14Å; V633-N636 PolarHBondContact O-N 3.44Å; K634-N636 PolarHBondContact O-N 2.8Å
637M92.6Very high86.2Confident0 Ų066.5 Ų66.50%035%0.352CS..Hα-helixtrans-78.9-25.5176.4-75.4-64.1-62.800113.2I600 A601 V604 W621 Y622 V633 K634 P639 F640 V641I600-M637 HydrophobicContact CG1-SD 4.13Å; I600-M637 HydrophobicContact CG2-CG 4.18Å; I600-M637 HydrophobicContact CG2-SD 4.15Å; A601-M637 WeakPolarHBondContact CA-SD 3.43Å; A601-M637 HydrophobicContact CB-SD 4.02Å; V604-M637 HydrophobicContact CB-CE 3.89Å; V604-M637 HydrophobicContact CB-SD 4.29Å; V604-M637 HydrophobicContact CG1-CE 3.89Å; V604-M637 HydrophobicContact CG2-CE 3.92Å; V604-M637 HydrophobicContact CG2-SD 3.98Å; W621-M637 HydrophobicContact CZ3-CE 4.25Å; W621-M637 HydrophobicContact CZ3-CG 4.46Å; Y622-M637 HydrophobicContact CD2-CB 3.97Å; Y622-M637 HydrophobicContact CE2-CB 3.75Å; V633-M637 HydrophobicContact CG1-CG 4.21Å; V633-M637 WeakPolarHBondContact O-CB 3.35Å; V633-M637 WeakPolarHBondContact O-CG 3.34Å; V633-M637 PolarHBondContact O-N 2.85Å; K634-M637 PolarHBondContact O-N 2.96Å; M637-P639 VanDerWaalsContact C-CD 3.48Å; M637-F640 HydrophobicContact CE-CD1 3.71Å; M637-F640 HydrophobicContact CE-CE1 4.34Å; M637-F640 WeakPolarHBondContact O-CB 3.38Å; M637-F640 PolarHBondContact O-N 3.01Å; M637-V641 HydrophobicContact CE-CG2 4.49Å; M637-V641 PolarHBondContact O-N 3.46Å
638A90.7Very high85.5Confident30 Ų3065 Ų6525%0.24834%0.344CS..Hα-helixtrans-49.9-46.7-173.400000114.5Y622 K634 F640 V641 T642Y622-A638 WeakPolarHBondContact OH-CB 3.35Å; K634-A638 PolarHBondContact O-N 2.83Å; A638-F640 VanDerWaalsContact C-N 3.28Å; A638-F640 PolarHBondContact O-N 2.83Å; A638-V641 PolarHBondContact O-N 2.82Å; A638-T642 PolarHBondContact O-N 2.85Å; A638-T642 PolarHBondContact O-OG1 2.94Å; A638-T642 VanDerWaalsContact O-OG1 3.07Å
639P89.5Confident84.5Confident93 Ų9363.4 Ų63.460%0.60433%0.332SS*.Hα-helixtrans-61.5-35.2179.1-21.934000113.5M637 W643M637-P639 VanDerWaalsContact C-CD 3.48Å; P639-W643 PolarHBondContact O-N 2.92Å
640F91Very high83.4Confident18 Ų1865 Ų658%0.07934%0.339CS..Hα-helixtrans-74.9-37.6179175.6-115.8000111.9A601 V604 H605 I618 M637 A638 W643 L644A601-F640 HydrophobicContact CB-CB 4.01Å; V604-F640 HydrophobicContact CB-CE1 4.43Å; V604-F640 HydrophobicContact CG1-CE1 3.92Å; H605-F640 HydrophobicContact CB-CD2 4.07Å; H605-F640 HydrophobicContact CB-CE1 4.41Å; H605-F640 HydrophobicContact CB-CE2 3.6Å; H605-F640 HydrophobicContact CB-CZ 3.78Å; H605-F640 AromaticContact CD2-CE2 3.22Å; H605-F640 WeakPolarHBondContact CD2-CE2 3.5Å; H605-F640 AromaticContact CD2-CZ 3.73Å; H605-F640 AromaticContact CG-CE2 3.62Å; I618-F640 HydrophobicContact CG2-CE1 4.39Å; M637-F640 HydrophobicContact CE-CD1 3.71Å; M637-F640 HydrophobicContact CE-CE1 4.34Å; M637-F640 WeakPolarHBondContact O-CB 3.38Å; M637-F640 PolarHBondContact O-N 3.01Å; A638-F640 VanDerWaalsContact C-N 3.28Å; A638-F640 PolarHBondContact O-N 2.83Å; F640-W643 AromaticContact CD2-CE3 3.8Å; F640-W643 HydrophobicContact CD2-CE3 3.8Å; F640-W643 HydrophobicContact CD2-CZ3 4.32Å; F640-W643 AromaticContact CE2-CE3 3.48Å; F640-W643 HydrophobicContact CE2-CE3 3.48Å; F640-W643 VanDerWaalsContact CE2-CE3 3.48Å; F640-W643 AromaticContact CE2-CZ3 3.55Å; F640-W643 HydrophobicContact CE2-CZ3 3.55Å; F640-W643 HydrophobicContact CZ-CE3 4.46Å; F640-W643 HydrophobicContact CZ-CZ3 4.32Å; F640-W643 WeakPolarHBondContact O-CB 3.24Å; F640-W643 PolarHBondContact O-N 3.17Å; F640-L644 HydrophobicContact CD1-CD1 4.13Å; F640-L644 HydrophobicContact CE1-CD1 3.54Å; F640-L644 HydrophobicContact CE1-CG 4.17Å; F640-L644 HydrophobicContact CE2-CD1 4.38Å; F640-L644 HydrophobicContact CE2-CD2 4.32Å; F640-L644 HydrophobicContact CE2-CG 4.11Å; F640-L644 HydrophobicContact CZ-CD1 3.68Å; F640-L644 HydrophobicContact CZ-CD2 4.02Å; F640-L644 HydrophobicContact CZ-CG 3.86Å; F640-L644 PolarHBondContact O-N 3.07Å
641V90.2Very high81.8Confident3 Ų366.5 Ų66.52%0.01836%0.357CS..Hα-helixtrans-68-40.8176.8173.70000111.4L619 Y622 M637 A638 W643 L644 Q645L619-V641 HydrophobicContact CD2-CG1 3.84Å; Y622-V641 HydrophobicContact CD1-CB 4.25Å; Y622-V641 HydrophobicContact CD1-CG1 3.7Å; Y622-V641 HydrophobicContact CD1-CG2 3.98Å; Y622-V641 HydrophobicContact CD2-CG2 3.68Å; Y622-V641 HydrophobicContact CE1-CB 4.23Å; Y622-V641 HydrophobicContact CE1-CG1 3.88Å; Y622-V641 HydrophobicContact CE1-CG2 4.26Å; Y622-V641 HydrophobicContact CE2-CG2 3.99Å; Y622-V641 HydrophobicContact CG-CB 4.42Å; Y622-V641 HydrophobicContact CG-CG1 4.21Å; Y622-V641 HydrophobicContact CG-CG2 3.66Å; M637-V641 HydrophobicContact CE-CG2 4.49Å; M637-V641 PolarHBondContact O-N 3.46Å; A638-V641 PolarHBondContact O-N 2.82Å; V641-W643 VanDerWaalsContact C-N 3.28Å; V641-W643 PolarHBondContact O-N 3.21Å; V641-L644 PolarHBondContact O-N 2.92Å; V641-Q645 WeakPolarHBondContact O-CG 3.43Å; V641-Q645 PolarHBondContact O-N 3.34Å
642T89.7Confident80.1Confident65 Ų6568.1 Ų68.140%0.39937%0.365SS..Hα-helixtrans-59-43.1172.6-57.20000111A638 L644 Q645 E646A638-T642 PolarHBondContact O-N 2.85Å; A638-T642 PolarHBondContact O-OG1 2.94Å; A638-T642 VanDerWaalsContact O-OG1 3.07Å; T642-L644 PolarHBondContact O-N 2.69Å; T642-Q645 PolarHBondContact O-N 2.83Å; T642-E646 HydrophobicContact CG2-CG 4.45Å; T642-E646 WeakPolarHBondContact O-CG 3.48Å; T642-E646 PolarHBondContact O-N 2.84Å
643W89.5Confident78.2Confident118 Ų11873.3 Ų73.345%0.44738%0.382SS..Hα-helixtrans-61.9-41.7175.6174.278.1000113.4H605 F608 P639 F640 V641 E646 A647H605-W643 AromaticContact NE2-CH2 3.9Å; F608-W643 HydrophobicContact CE1-CZ3 4.43Å; P639-W643 PolarHBondContact O-N 2.92Å; F640-W643 AromaticContact CD2-CE3 3.8Å; F640-W643 HydrophobicContact CD2-CE3 3.8Å; F640-W643 HydrophobicContact CD2-CZ3 4.32Å; F640-W643 AromaticContact CE2-CE3 3.48Å; F640-W643 HydrophobicContact CE2-CE3 3.48Å; F640-W643 VanDerWaalsContact CE2-CE3 3.48Å; F640-W643 AromaticContact CE2-CZ3 3.55Å; F640-W643 HydrophobicContact CE2-CZ3 3.55Å; F640-W643 HydrophobicContact CZ-CE3 4.46Å; F640-W643 HydrophobicContact CZ-CZ3 4.32Å; F640-W643 WeakPolarHBondContact O-CB 3.24Å; F640-W643 PolarHBondContact O-N 3.17Å; V641-W643 VanDerWaalsContact C-N 3.28Å; V641-W643 PolarHBondContact O-N 3.21Å; W643-E646 PolarHBondContact O-N 2.81Å; W643-A647 WeakPolarHBondContact O-CB 3.18Å; W643-A647 PolarHBondContact O-N 2.88Å
644L86.9Confident75.7Confident1 Ų183.2 Ų83.21%0.00544%0.435CS..Hα-helixtrans-60.1-47.4175.5-76.4171.7000111.2F608 E615 I618 L619 F640 V641 T642 E646 A647 E648F608-L644 HydrophobicContact CE1-CD2 4.15Å; F608-L644 HydrophobicContact CZ-CD2 4.16Å; E615-L644 HydrophobicContact CG-CD2 4.21Å; I618-L644 HydrophobicContact CB-CD1 4.37Å; I618-L644 HydrophobicContact CD1-CD1 4.5Å; I618-L644 HydrophobicContact CG2-CD1 3.82Å; L619-L644 HydrophobicContact CD2-CB 4.32Å; F640-L644 HydrophobicContact CD1-CD1 4.13Å; F640-L644 HydrophobicContact CE1-CD1 3.54Å; F640-L644 HydrophobicContact CE1-CG 4.17Å; F640-L644 HydrophobicContact CE2-CD1 4.38Å; F640-L644 HydrophobicContact CE2-CD2 4.32Å; F640-L644 HydrophobicContact CE2-CG 4.11Å; F640-L644 HydrophobicContact CZ-CD1 3.68Å; F640-L644 HydrophobicContact CZ-CD2 4.02Å; F640-L644 HydrophobicContact CZ-CG 3.86Å; F640-L644 PolarHBondContact O-N 3.07Å; V641-L644 PolarHBondContact O-N 2.92Å; T642-L644 PolarHBondContact O-N 2.69Å; L644-E646 PolarHBondContact O-N 3.43Å; L644-A647 PolarHBondContact O-N 2.79Å; L644-E648 PolarHBondContact O-N 3.27Å; L644-E648 VanDerWaalsContact O-N 3.08Å
645Q85.9Confident75Confident83 Ų8385.3 Ų85.339%0.38845%0.448SS..Hα-helixtrans-63.6-39.2179.9-68.4177.3-37.400112.7L619 V641 T642 E649L619-Q645 HydrophobicContact CD2-CG 3.89Å; V641-Q645 WeakPolarHBondContact O-CG 3.43Å; V641-Q645 PolarHBondContact O-N 3.34Å; T642-Q645 PolarHBondContact O-N 2.83Å; Q645-E649 PolarHBondContact O-N 2.93Å
646E83.1Confident74.2Confident117 Ų11782.2 Ų82.255%0.54744%0.436SS..Hα-helixtrans-69.4-34.8176.5-72.1174.317700112.1T642 W643 L644 E650T642-E646 HydrophobicContact CG2-CG 4.45Å; T642-E646 WeakPolarHBondContact O-CG 3.48Å; T642-E646 PolarHBondContact O-N 2.84Å; W643-E646 PolarHBondContact O-N 2.81Å; L644-E646 PolarHBondContact O-N 3.43Å; E646-E650 PolarHBondContact O-N 2.8Å
647A74.1Confident73.3Confident38 Ų3883.4 Ų83.431%0.31444%0.442SS..Hα-helixtrans-70.8-32.5177.600000112.9W643 L644 S651W643-A647 WeakPolarHBondContact O-CB 3.18Å; W643-A647 PolarHBondContact O-N 2.88Å; L644-A647 PolarHBondContact O-N 2.79Å; A647-S651 PolarHBondContact O-N 3.39Å
648E59.7Low72.1Confident92 Ų9288.3 Ų88.343%0.4347%0.468SS..Hα-helixtrans-66.1-42.8174.6-160.8-176.7179.100111.2L644 E650 S651 S652L644-E648 PolarHBondContact O-N 3.27Å; L644-E648 VanDerWaalsContact O-N 3.08Å; E648-E650 PolarHBondContact O-N 2.8Å; E648-S651 PolarHBondContact O-N 2.89Å; E648-S651 VanDerWaalsContact O-N 3.14Å; E648-S651 PolarHBondContact O-OG 3.01Å; E648-S652 PolarHBondContact O-N 3.14Å
649E55.3Low71Confident134 Ų13491.9 Ų91.963%0.62648%0.482SS*.Hα-helixtrans-60-42.3179-73.2-176.6176.200112Q645 S651 S652Q645-E649 PolarHBondContact O-N 2.93Å; E649-S651 VanDerWaalsContact C-N 3.34Å; E649-S651 PolarHBondContact O-N 3.49Å; E649-S652 PolarHBondContact O-N 3.21Å; E649-S652 PolarHBondContact O-OG 3.3Å
650E53.1Low69.7Low154 Ų15491.9 Ų91.972%0.7247%0.474SS*.Hα-helixtrans-65.7-31.4175.9-75.9-172.4164.700113.5E646 E648 S652E646-E650 PolarHBondContact O-N 2.8Å; E648-E650 PolarHBondContact O-N 2.8Å; E650-S652 VanDerWaalsContact C-N 3.35Å
651S52.2Low68.2Low82 Ų8297.1 Ų97.157%0.57350%0.502SS*.Hα-helixtrans-79.7-16.4-179.873.90000114.4A647 E648 E649A647-S651 PolarHBondContact O-N 3.39Å; E648-S651 PolarHBondContact O-N 2.89Å; E648-S651 VanDerWaalsContact O-N 3.14Å; E648-S651 PolarHBondContact O-OG 3.01Å; E649-S651 VanDerWaalsContact C-N 3.34Å; E649-S651 PolarHBondContact O-N 3.49Å
652S50.8Low66.5Low90 Ų90104.4 Ų104.463%0.62954%0.539SS*.Hα-helixtrans-94.1-9.7179.770.60000113.9E648 E649 E650E648-S652 PolarHBondContact O-N 3.14Å; E649-S652 PolarHBondContact O-N 3.21Å; E649-S652 PolarHBondContact O-OG 3.3Å; E650-S652 VanDerWaalsContact C-N 3.35Å
653E47.1Very low64.6Low173 Ų173107.7 Ų107.781%0.80855%0.551SS**  trans-96.2-4.4177.3-69.1-166.7160.900114.3
654D37.5Very low62.3Low210 Ų210106.7 Ų106.7100%1.12356%0.56SS**  trans-101.10169.4-83.1-25.7000112.1

Retrieved 654 of 654 residues in 1271.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).