A0A077ZR26_TRITR Loading...

Glyco transf 20 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZR26, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.6Very low84.3Confident223 Ų22357.4 Ų57.4100%1.09930%0.3SS*.  0-7.40-106.2-172.2-77.200114.4
2N66.8Low83.8Confident94 Ų9458.5 Ų58.550%0.50332%0.317SS..  trans-130.657.5169.5-82.44.4000109.4I34N2-I34 HydrophobicContact CB-CD1 3.93Å
3E81.1Confident83.8Confident148 Ų14855.5 Ų55.569%0.69230%0.3SS*.  trans-71.2140.6171.8-69.6-174.1-178.200109.1S5 R31E3-S5 PolarHBondContact O-N 3.17Å; E3-R31 PolarHBondContact O-NH2 3.21Å
4P85.9Confident84Confident81 Ų8155.6 Ų55.653%0.52629%0.294SS..  trans-61.2132.7175.727.6-33.5000110.6I34P4-I34 VanDerWaalsContact CA-CG2 3.41Å; P4-I34 HydrophobicContact CB-CG2 4.05Å; P4-I34 WeakPolarHBondContact CB-O 3.42Å
5S92.6Very high84.6Confident8 Ų854.1 Ų54.16%0.05629%0.288CS..  trans-106.3115.7172-56.40000109.7E3 F7 R31 D35 V36 A172E3-S5 PolarHBondContact O-N 3.17Å; S5-F7 WeakPolarHBondContact O-CD2 3.41Å; S5-F7 PolarHBondContact O-N 3.09Å; S5-R31 PolarHBondContact OG-NH2 3.32Å; S5-D35 VanDerWaalsContact CB-OD1 3.29Å; S5-D35 WeakPolarHBondContact CB-OD1 3.39Å; S5-D35 PolarHBondContact N-OD1 3.03Å; S5-V36 PolarHBondContact O-N 2.9Å; S5-A172 WeakPolarHBondContact OG-CA 2.95Å; S5-A172 PolarHBondContact OG-O 2.87Å
6Y96.9Very high85.2Confident35 Ų3553.2 Ų53.214%0.13728%0.281CS..EExtended strand (participates in β ladder)trans-88.7100.3172.5175.5-130.9000109.9F8 V36 F38 H95 A98 M99 D100 V101Y6-F8 HydrophobicContact CE1-CB 4.26Å; Y6-F8 WeakPolarHBondContact OH-CD2 3.4Å; Y6-V36 HydrophobicContact CD2-CG1 3.86Å; Y6-F38 HydrophobicContact CD2-CB 4.47Å; Y6-F38 HydrophobicContact CE2-CB 3.43Å; Y6-F38 VanDerWaalsContact CE2-CB 3.43Å; Y6-F38 HydrophobicContact CE2-CD2 4.41Å; Y6-F38 HydrophobicContact CE2-CG 4.16Å; Y6-H95 AromaticContact CZ-ND1 3.7Å; Y6-H95 PolarHBondContact OH-ND1 3.15Å; Y6-A98 HydrophobicContact CD1-CB 4.27Å; Y6-A98 WeakPolarHBondContact CD1-O 3.3Å; Y6-A98 HydrophobicContact CE1-CB 4.19Å; Y6-M99 VanDerWaalsContact CD1-CA 3.4Å; Y6-M99 HydrophobicContact CD1-CB 4.1Å; Y6-M99 HydrophobicContact CE1-CB 4.1Å; Y6-D100 WeakPolarHBondContact CB-OD2 3.39Å; Y6-D100 PolarHBondContact N-OD2 2.96Å; Y6-D100 PolarHBondContact O-N 3Å; Y6-V101 PolarHBondContact O-N 3.09Å
7F97.9Very high85.9Confident0 Ų050.1 Ų50.10%027%0.265CS..EExtended strand (participates in β ladder)trans-83.9121.2175.8-62.5-94.6000110S5 F21 D35 V36 L37 F38 V101 V103 I128 F168 A172S5-F7 WeakPolarHBondContact O-CD2 3.41Å; S5-F7 PolarHBondContact O-N 3.09Å; F7-F21 HydrophobicContact CD2-CE2 4.01Å; F7-F21 HydrophobicContact CE2-CE2 4.27Å; F7-F21 HydrophobicContact CG-CE2 4.42Å; F7-D35 HydrophobicContact CE2-CB 4.03Å; F7-V36 WeakPolarHBondContact CB-O 3.32Å; F7-V36 PolarHBondContact N-O 2.96Å; F7-L37 HydrophobicContact CB-CB 4.43Å; F7-L37 HydrophobicContact CB-CD1 3.82Å; F7-L37 WeakPolarHBondContact O-CA 3.46Å; F7-F38 PolarHBondContact O-N 2.76Å; F7-V101 CarbonylContact C-O 3.53Å; F7-V101 VanDerWaalsContact CA-O 3.3Å; F7-V101 WeakPolarHBondContact CA-O 3.42Å; F7-V101 HydrophobicContact CD1-CB 3.46Å; F7-V101 VanDerWaalsContact CD1-CB 3.46Å; F7-V101 HydrophobicContact CD1-CG1 3.62Å; F7-V101 HydrophobicContact CD1-CG2 3.99Å; F7-V101 HydrophobicContact CE1-CB 3.69Å; F7-V101 HydrophobicContact CE1-CG1 3.75Å; F7-V101 HydrophobicContact CE1-CG2 3.7Å; F7-V101 HydrophobicContact CG-CB 4.23Å; F7-V101 HydrophobicContact CZ-CG2 4.27Å; F7-V103 HydrophobicContact CB-CG2 4.12Å; F7-V103 HydrophobicContact CD1-CG2 3.93Å; F7-I128 HydrophobicContact CE1-CD1 4.33Å; F7-F168 AromaticContact CD1-CD1 3.77Å; F7-F168 HydrophobicContact CD1-CD1 3.77Å; F7-F168 HydrophobicContact CD1-CE1 4.05Å; F7-F168 AromaticContact CE1-CD1 3.66Å; F7-F168 HydrophobicContact CE1-CD1 3.66Å; F7-F168 HydrophobicContact CE1-CE1 4.39Å; F7-F168 HydrophobicContact CZ-CD1 4.3Å; F7-A172 HydrophobicContact CE2-CB 4.46Å; F7-A172 HydrophobicContact CZ-CB 3.79Å
8F97.5Very high86.5Confident0 Ų047.4 Ų47.40%025%0.251CS..EExtended strand (participates in β ladder)trans-113.8132.8178.5-174.5-117.3000112.3Y6 F38 V40 V92 H95 Y96 M99 V101 V103 M118Y6-F8 HydrophobicContact CE1-CB 4.26Å; Y6-F8 WeakPolarHBondContact OH-CD2 3.4Å; F8-F38 HydrophobicContact CD2-CB 4.25Å; F8-F38 AromaticContact CD2-CD1 3.9Å; F8-F38 HydrophobicContact CD2-CD1 3.9Å; F8-F38 HydrophobicContact CD2-CG 4.41Å; F8-F38 AromaticContact CE2-CD1 3.7Å; F8-F38 HydrophobicContact CE2-CD1 3.7Å; F8-F38 HydrophobicContact CE2-CE1 4.21Å; F8-V40 HydrophobicContact CE2-CG2 3.75Å; F8-V40 HydrophobicContact CZ-CG2 3.95Å; F8-V92 HydrophobicContact CE1-CG1 4.45Å; F8-H95 HydrophobicContact CD1-CB 4.04Å; F8-H95 HydrophobicContact CD2-CB 3.76Å; F8-H95 HydrophobicContact CE1-CB 3.79Å; F8-H95 HydrophobicContact CE2-CB 3.47Å; F8-H95 VanDerWaalsContact CE2-CB 3.47Å; F8-H95 AromaticContact CE2-CG 3.73Å; F8-H95 HydrophobicContact CG-CB 4.03Å; F8-H95 HydrophobicContact CZ-CB 3.5Å; F8-H95 VanDerWaalsContact CZ-CB 3.5Å; F8-Y96 AromaticContact CD1-CD1 3.69Å; F8-Y96 HydrophobicContact CD1-CD1 3.69Å; F8-Y96 AromaticContact CD1-CE1 3.95Å; F8-Y96 HydrophobicContact CD1-CE1 3.95Å; F8-Y96 AromaticContact CE1-CD1 3.49Å; F8-Y96 HydrophobicContact CE1-CD1 3.49Å; F8-Y96 VanDerWaalsContact CE1-CD1 3.49Å; F8-Y96 AromaticContact CE1-CE1 3.44Å; F8-Y96 HydrophobicContact CE1-CE1 3.44Å; F8-Y96 VanDerWaalsContact CE1-CE1 3.44Å; F8-M99 HydrophobicContact CB-CB 3.68Å; F8-M99 HydrophobicContact CB-SD 4.25Å; F8-M99 HydrophobicContact CD1-SD 4.33Å; F8-V101 PolarHBondContact N-O 3.38Å; F8-V103 PolarHBondContact O-N 3.06Å; F8-M118 HydrophobicContact CD1-CE 3.71Å; F8-M118 HydrophobicContact CE1-CE 4.27Å; F8-M118 WeakPolarHBondContact O-CE 3.39Å
9S95.6Very high87Confident0 Ų047.7 Ų47.70%026%0.255CS..EExtended strand (participates in β ladder)trans-138.3129.4173.9-161.90000111.6K17 F38 Q39 V40 V103S9-K17 PolarHBondContact OG-NZ 2.89Å; S9-F38 PolarHBondContact N-O 3.4Å; S9-Q39 CarbonylContact O-C 3.59Å; S9-Q39 WeakPolarHBondContact O-CA 3.3Å; S9-Q39 PolarHBondContact O-NE2 3.32Å; S9-Q39 PolarHBondContact OG-OE1 3.14Å; S9-V40 PolarHBondContact O-N 3.17Å; S9-V103 WeakPolarHBondContact CB-O 3.44Å; S9-V103 PolarHBondContact OG-O 3.13Å
10S87.4Confident87.6Confident30 Ų3045.4 Ų45.421%0.2124%0.242CC..  trans-1209.8171.861.10000113.2V114S10-V114 WeakPolarHBondContact OG-CG1 3.36Å
11C77.3Confident88Confident12 Ų1243.2 Ų43.28%0.08123%0.23CC..SBendtrans-78.4171.1170.7-169.30000110.7L13 Q39C11-L13 PolarHBondContact O-N 2.99Å; C11-Q39 PolarHBondContact O-NE2 3.24Å
12S78.4Confident90.4Very high71 Ų7134.6 Ų34.650%0.49719%0.187SC..  trans-45.3133.1179.5-54.30000112.5R14S12-R14 PolarHBondContact O-N 3.41Å
13L83Confident91.9Very high20 Ų2033.9 Ų33.911%0.10518%0.177CC..  trans-60.6130.7169.1-17661.8000108.5C11 L18 Q39 A41 Y54 C58 L82C11-L13 PolarHBondContact O-N 2.99Å; L13-L18 HydrophobicContact CD1-CD1 4.06Å; L13-Q39 HydrophobicContact CD1-CG 3.68Å; L13-A41 HydrophobicContact CB-CB 3.53Å; L13-A41 HydrophobicContact CD2-CB 4.29Å; L13-A41 HydrophobicContact CG-CB 4.36Å; L13-Y54 WeakPolarHBondContact O-CE1 3.36Å; L13-C58 HydrophobicContact CD1-CB 4.14Å; L13-C58 HydrophobicContact CD2-CB 3.31Å; L13-C58 HydrophobicContact CG-CB 3.47Å; L13-C58 VanDerWaalsContact CG-CB 3.47Å; L13-L82 HydrophobicContact CD1-CD1 3.91Å; L13-L82 HydrophobicContact CD2-CD1 4.04Å; L13-L82 HydrophobicContact CD2-CD2 4.3Å
14R87.1Confident92.7Very high57 Ų5726.8 Ų26.822%0.21514%0.144CC..  trans-140.4138.4-175.1-71.2-80.3-155.4-138.1-5.5109.9S12 E16 K17 L18 Y54S12-R14 PolarHBondContact O-N 3.41Å; R14-E16 VanDerWaalsContact C-N 3.3Å; R14-E16 WeakPolarHBondContact CB-OE2 3.3Å; R14-E16 PolarHBondContact O-N 3.11Å; R14-K17 HydrophobicContact CB-CB 4.46Å; R14-L18 PolarHBondContact O-N 3.25Å; R14-Y54 VanDerWaalsContact CA-OH 3.27Å; R14-Y54 WeakPolarHBondContact CA-OH 3.36Å; R14-Y54 WeakPolarHBondContact CD-OH 3.37Å
15T93.3Very high93.2Very high32 Ų3223 Ų2320%0.19612%0.119CC..Hα-helixtrans-58.9-42.4174.235.50000111.7K17 L18 V19 Y54T15-K17 PolarHBondContact O-N 2.9Å; T15-L18 PolarHBondContact O-N 2.96Å; T15-V19 WeakPolarHBondContact O-CB 3.46Å; T15-V19 VanDerWaalsContact O-CG2 3.3Å; T15-V19 WeakPolarHBondContact O-CG2 3.43Å; T15-V19 PolarHBondContact O-N 2.67Å; T15-Y54 HydrophobicContact CG2-CE2 4.03Å; T15-Y54 PolarHBondContact N-OH 3.19Å; T15-Y54 PolarHBondContact OG1-OH 2.87Å; T15-Y54 VanDerWaalsContact OG1-OH 3.05Å
16E94.6Very high93.4Very high40 Ų4026.5 Ų26.519%0.18714%0.135CC..Hα-helixtrans-62.6-44.1-173.5-60.870.8-145.300111.7R14 L18 V19 A20 Y54 I158R14-E16 VanDerWaalsContact C-N 3.3Å; R14-E16 WeakPolarHBondContact CB-OE2 3.3Å; R14-E16 PolarHBondContact O-N 3.11Å; E16-L18 PolarHBondContact O-N 3Å; E16-V19 PolarHBondContact O-N 2.89Å; E16-A20 WeakPolarHBondContact O-CB 3.22Å; E16-A20 PolarHBondContact O-N 3.31Å; E16-Y54 PolarHBondContact OE2-OH 2.89Å; E16-I158 HydrophobicContact CB-CD1 4.37Å; E16-I158 HydrophobicContact CB-CG1 3.93Å; E16-I158 WeakPolarHBondContact CB-O 3.47Å; E16-I158 HydrophobicContact CG-CG2 4.4Å
17K95.7Very high93.4Very high1 Ų128 Ų280%0.00414%0.142CC..Hα-helixtrans-61.6-44.7176.3-173.8-166.9-53.1169.50111.8S9 R14 T15 A20 F21 V103 T105 F164 F168S9-K17 PolarHBondContact OG-NZ 2.89Å; R14-K17 HydrophobicContact CB-CB 4.46Å; T15-K17 PolarHBondContact O-N 2.9Å; K17-A20 PolarHBondContact O-N 2.89Å; K17-F21 WeakPolarHBondContact O-CB 3.21Å; K17-F21 PolarHBondContact O-N 3.39Å; K17-V103 HydrophobicContact CD-CG1 4.07Å; K17-V103 HydrophobicContact CG-CG1 4.37Å; K17-T105 WeakPolarHBondContact CE-OG1 3.43Å; K17-F164 HydrophobicContact CB-CE1 4.21Å; K17-F164 HydrophobicContact CB-CZ 4.29Å; K17-F164 HydrophobicContact CG-CE1 4.48Å; K17-F164 HydrophobicContact CG-CZ 4.07Å; K17-F168 HydrophobicContact CG-CZ 4.15Å
18L96.9Very high93.3Very high1 Ų129.2 Ų29.21%0.00515%0.148CC..Hα-helixtrans-66.5-39.9178.8-67.9177.5000111.6L13 R14 T15 E16 F21 K22 L37 C58 L61 V62 I65 V80L13-L18 HydrophobicContact CD1-CD1 4.06Å; R14-L18 PolarHBondContact O-N 3.25Å; T15-L18 PolarHBondContact O-N 2.96Å; E16-L18 PolarHBondContact O-N 3Å; L18-F21 PolarHBondContact O-N 3.46Å; L18-K22 WeakPolarHBondContact O-CB 3.48Å; L18-K22 PolarHBondContact O-N 3.21Å; L18-L37 HydrophobicContact CD2-CD2 4.28Å; L18-C58 HydrophobicContact CD1-CB 4.14Å; L18-L61 HydrophobicContact CB-CD2 3.48Å; L18-L61 VanDerWaalsContact CB-CD2 3.48Å; L18-L61 HydrophobicContact CB-CG 4.04Å; L18-L61 HydrophobicContact CD1-CB 4.29Å; L18-L61 HydrophobicContact CD1-CD2 4.01Å; L18-L61 HydrophobicContact CD1-CG 4.24Å; L18-L61 HydrophobicContact CG-CD2 4.43Å; L18-V62 HydrophobicContact CD1-CG2 3.73Å; L18-V62 HydrophobicContact CD2-CG2 3.89Å; L18-V62 HydrophobicContact CG-CG2 4.48Å; L18-I65 HydrophobicContact CB-CD1 4.04Å; L18-I65 WeakPolarHBondContact O-CD1 3.45Å; L18-V80 HydrophobicContact CD2-CG1 4.07Å
19V97.3Very high93.1Very high54 Ų5432.9 Ų32.933%0.32717%0.171SC..Hα-helixtrans-65.3-43.4176.3171.70000111T15 E16 K22 R23 L61 T161T15-V19 WeakPolarHBondContact O-CB 3.46Å; T15-V19 VanDerWaalsContact O-CG2 3.3Å; T15-V19 WeakPolarHBondContact O-CG2 3.43Å; T15-V19 PolarHBondContact O-N 2.67Å; E16-V19 PolarHBondContact O-N 2.89Å; V19-K22 WeakPolarHBondContact O-CB 3.49Å; V19-K22 PolarHBondContact O-N 3.43Å; V19-R23 WeakPolarHBondContact O-CB 3.5Å; V19-R23 PolarHBondContact O-N 2.86Å; V19-L61 HydrophobicContact CG2-CD2 3.74Å; V19-T161 HydrophobicContact CG1-CG2 3.69Å
20A97.6Very high93Very high0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-63.1-43.3174.200000112.1E16 K17 K22 R23 F24 F164 F168E16-A20 WeakPolarHBondContact O-CB 3.22Å; E16-A20 PolarHBondContact O-N 3.31Å; K17-A20 PolarHBondContact O-N 2.89Å; A20-K22 PolarHBondContact O-N 2.97Å; A20-R23 PolarHBondContact O-N 3.23Å; A20-F24 WeakPolarHBondContact O-CB 3.39Å; A20-F24 PolarHBondContact O-N 3.47Å; A20-F164 HydrophobicContact CB-CB 3.73Å; A20-F164 HydrophobicContact CB-CD1 3.39Å; A20-F164 HydrophobicContact CB-CD2 4.23Å; A20-F164 HydrophobicContact CB-CE1 3.98Å; A20-F164 HydrophobicContact CB-CG 3.51Å; A20-F168 HydrophobicContact CB-CD2 4.36Å; A20-F168 HydrophobicContact CB-CE2 4Å
21F97.6Very high93.3Very high0 Ų035.5 Ų35.50%018%0.18CC..Hα-helixtrans-65-39.4176.3-167.7-104.1000112.3F7 K17 L18 R23 F24 L25 L37 P79 V80 F168F7-F21 HydrophobicContact CD2-CE2 4.01Å; F7-F21 HydrophobicContact CE2-CE2 4.27Å; F7-F21 HydrophobicContact CG-CE2 4.42Å; K17-F21 WeakPolarHBondContact O-CB 3.21Å; K17-F21 PolarHBondContact O-N 3.39Å; L18-F21 PolarHBondContact O-N 3.46Å; F21-R23 VanDerWaalsContact C-N 3.33Å; F21-R23 PolarHBondContact O-N 3Å; F21-F24 AromaticContact CD2-CD1 3.9Å; F21-F24 HydrophobicContact CD2-CD1 3.9Å; F21-F24 HydrophobicContact CD2-CE1 4.48Å; F21-F24 AromaticContact CE2-CD1 3.8Å; F21-F24 HydrophobicContact CE2-CD1 3.8Å; F21-F24 AromaticContact CE2-CE1 3.93Å; F21-F24 HydrophobicContact CE2-CE1 3.93Å; F21-F24 HydrophobicContact CZ-CD1 4.41Å; F21-F24 HydrophobicContact CZ-CE1 4.41Å; F21-F24 WeakPolarHBondContact O-CB 3.27Å; F21-F24 PolarHBondContact O-N 3.16Å; F21-L25 HydrophobicContact CD1-CD1 4.02Å; F21-L25 HydrophobicContact CE1-CD1 3.72Å; F21-L25 HydrophobicContact CE1-CG 4.26Å; F21-L25 HydrophobicContact CZ-CD1 4.45Å; F21-L25 WeakPolarHBondContact O-CG 3.41Å; F21-L25 PolarHBondContact O-N 3.02Å; F21-L25 VanDerWaalsContact O-N 3.09Å; F21-L37 HydrophobicContact CB-CD2 4.12Å; F21-L37 HydrophobicContact CD1-CB 3.95Å; F21-L37 HydrophobicContact CD1-CD2 4.1Å; F21-L37 HydrophobicContact CD2-CB 4.14Å; F21-L37 HydrophobicContact CD2-CD2 4.27Å; F21-L37 HydrophobicContact CE1-CB 3.64Å; F21-L37 HydrophobicContact CE2-CB 3.86Å; F21-L37 HydrophobicContact CG-CB 4.19Å; F21-L37 HydrophobicContact CG-CD2 3.9Å; F21-L37 HydrophobicContact CZ-CB 3.6Å; F21-P79 HydrophobicContact CE1-CB 4.23Å; F21-P79 VanDerWaalsContact CE1-O 3.32Å; F21-P79 WeakPolarHBondContact CE1-O 3.33Å; F21-V80 HydrophobicContact CD1-CG2 3.73Å; F21-V80 HydrophobicContact CE1-CG2 3.89Å; F21-F168 HydrophobicContact CB-CE2 4.22Å; F21-F168 HydrophobicContact CB-CZ 4.27Å; F21-F168 AromaticContact CD2-CD1 3.82Å; F21-F168 HydrophobicContact CD2-CD1 3.82Å; F21-F168 HydrophobicContact CD2-CD2 4.48Å; F21-F168 AromaticContact CD2-CE1 3.78Å; F21-F168 HydrophobicContact CD2-CE1 3.78Å; F21-F168 HydrophobicContact CD2-CE2 4.45Å; F21-F168 HydrophobicContact CD2-CG 4.18Å; F21-F168 HydrophobicContact CD2-CZ 4.12Å; F21-F168 HydrophobicContact CE2-CD1 4.32Å; F21-F168 HydrophobicContact CE2-CE1 4.47Å
22K97.6Very high94.1Very high42 Ų4237.1 Ų37.118%0.18319%0.186CC..Hα-helixtrans-57.9-47.4170.4178.8174-174.7-78.50111L18 V19 A20 F24 L25 E26 I65 F69L18-K22 WeakPolarHBondContact O-CB 3.48Å; L18-K22 PolarHBondContact O-N 3.21Å; V19-K22 WeakPolarHBondContact O-CB 3.49Å; V19-K22 PolarHBondContact O-N 3.43Å; A20-K22 PolarHBondContact O-N 2.97Å; K22-F24 VanDerWaalsContact C-N 3.34Å; K22-L25 PolarHBondContact O-N 3.23Å; K22-E26 IonicContact NZ-OE1 3.31Å; K22-E26 PolarHBondContact NZ-OE1 3.33Å; K22-E26 WeakPolarHBondContact O-CG 3.47Å; K22-E26 PolarHBondContact O-N 3.4Å; K22-I65 HydrophobicContact CB-CD1 3.97Å; K22-I65 HydrophobicContact CB-CG1 3.9Å; K22-I65 HydrophobicContact CD-CG1 3.98Å; K22-I65 HydrophobicContact CG-CG1 4.14Å; K22-F69 HydrophobicContact CG-CE2 3.96Å; K22-F69 HydrophobicContact CG-CZ 4.09Å
23R98Very high94.7Very high79 Ų7933.8 Ų33.830%0.29816%0.163SC..Hα-helixtrans-64.8-39.5-178.8-178.1571721632.9112.1V19 A20 F21 L25 E26 K27 T161 E162 A165V19-R23 WeakPolarHBondContact O-CB 3.5Å; V19-R23 PolarHBondContact O-N 2.86Å; A20-R23 PolarHBondContact O-N 3.23Å; F21-R23 VanDerWaalsContact C-N 3.33Å; F21-R23 PolarHBondContact O-N 3Å; R23-L25 PolarHBondContact O-N 2.9Å; R23-E26 WeakPolarHBondContact CD-OE2 3.44Å; R23-E26 IonicContact NH1-OE2 3.65Å; R23-E26 PolarHBondContact NH1-OE2 3.06Å; R23-E26 VanDerWaalsContact NH1-OE2 3.16Å; R23-E26 WeakPolarHBondContact O-CB 3.43Å; R23-E26 PolarHBondContact O-N 2.83Å; R23-K27 HydrophobicContact CG-CD 4.16Å; R23-K27 WeakPolarHBondContact O-CG 3.37Å; R23-K27 PolarHBondContact O-N 3.25Å; R23-T161 HydrophobicContact CB-CG2 3.71Å; R23-T161 HydrophobicContact CG-CG2 3.99Å; R23-E162 IonicContact CZ-OE1 3.87Å; R23-E162 IonicContact NE-OE1 3.16Å; R23-E162 PolarHBondContact NE-OE1 3.2Å; R23-E162 IonicContact NE-OE2 2.82Å; R23-E162 IonicContact NH2-OE1 3.16Å; R23-E162 PolarHBondContact NH2-OE1 2.86Å; R23-E162 IonicContact NH2-OE2 2.63Å; R23-A165 HydrophobicContact CB-CB 3.91Å; R23-A165 HydrophobicContact CG-CB 3.79Å
24F97.8Very high95.2Very high0 Ų034.4 Ų34.40%017%0.166CC..Hα-helixtrans-53.9-50.5170.7158.2-113.7000111.4A20 F21 K22 E26 K27 H28 R31 D35 A165 F168 Y169A20-F24 WeakPolarHBondContact O-CB 3.39Å; A20-F24 PolarHBondContact O-N 3.47Å; F21-F24 AromaticContact CD2-CD1 3.9Å; F21-F24 HydrophobicContact CD2-CD1 3.9Å; F21-F24 HydrophobicContact CD2-CE1 4.48Å; F21-F24 AromaticContact CE2-CD1 3.8Å; F21-F24 HydrophobicContact CE2-CD1 3.8Å; F21-F24 AromaticContact CE2-CE1 3.93Å; F21-F24 HydrophobicContact CE2-CE1 3.93Å; F21-F24 HydrophobicContact CZ-CD1 4.41Å; F21-F24 HydrophobicContact CZ-CE1 4.41Å; F21-F24 WeakPolarHBondContact O-CB 3.27Å; F21-F24 PolarHBondContact O-N 3.16Å; K22-F24 VanDerWaalsContact C-N 3.34Å; F24-E26 VanDerWaalsContact C-N 3.33Å; F24-E26 PolarHBondContact O-N 3.09Å; F24-K27 PolarHBondContact O-N 2.99Å; F24-H28 AromaticContact CD2-CD2 3.8Å; F24-H28 HydrophobicContact CE2-CB 4.27Å; F24-H28 PolarHBondContact O-CD2 3.25Å; F24-H28 PolarHBondContact O-N 2.98Å; F24-R31 HydrophobicContact CE2-CG 4.38Å; F24-R31 HydrophobicContact CZ-CB 4.15Å; F24-R31 HydrophobicContact CZ-CG 4.06Å; F24-D35 HydrophobicContact CE1-CB 4.33Å; F24-D35 VanDerWaalsContact CZ-OD2 3.28Å; F24-D35 WeakPolarHBondContact CZ-OD2 3.4Å; F24-A165 HydrophobicContact CB-CB 4.1Å; F24-F168 HydrophobicContact CB-CB 4Å; F24-F168 HydrophobicContact CD1-CB 4.11Å; F24-F168 HydrophobicContact CD2-CB 3.96Å; F24-F168 HydrophobicContact CE2-CB 4.5Å; F24-F168 HydrophobicContact CG-CB 3.74Å; F24-Y169 AromaticContact CE2-CD2 3.93Å; F24-Y169 HydrophobicContact CE2-CD2 3.93Å; F24-Y169 HydrophobicContact CE2-CG 4.29Å
25L97.1Very high95.6Very high0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-64.9-33.5177.2-65.3173000113F21 K22 R23 H32 I65 F69 P79F21-L25 HydrophobicContact CD1-CD1 4.02Å; F21-L25 HydrophobicContact CE1-CD1 3.72Å; F21-L25 HydrophobicContact CE1-CG 4.26Å; F21-L25 HydrophobicContact CZ-CD1 4.45Å; F21-L25 WeakPolarHBondContact O-CG 3.41Å; F21-L25 PolarHBondContact O-N 3.02Å; F21-L25 VanDerWaalsContact O-N 3.09Å; K22-L25 PolarHBondContact O-N 3.23Å; R23-L25 PolarHBondContact O-N 2.9Å; L25-H32 PolarHBondContact O-NE2 3.46Å; L25-I65 HydrophobicContact CD1-CG2 4.42Å; L25-F69 HydrophobicContact CB-CD1 4.09Å; L25-F69 HydrophobicContact CB-CD2 4.3Å; L25-F69 HydrophobicContact CB-CE1 3.69Å; L25-F69 HydrophobicContact CB-CE2 3.95Å; L25-F69 HydrophobicContact CB-CG 4.37Å; L25-F69 HydrophobicContact CB-CZ 3.62Å; L25-F69 HydrophobicContact CD1-CD2 3.81Å; L25-F69 HydrophobicContact CD1-CE2 3.95Å; L25-F69 HydrophobicContact CD1-CG 4.25Å; L25-F69 HydrophobicContact CD1-CZ 4.47Å; L25-P79 HydrophobicContact CD1-CB 3.5Å; L25-P79 HydrophobicContact CD1-CG 4.32Å
26E97.2Very high95.8Very high83 Ų8331.8 Ų31.839%0.38816%0.157SC..Hα-helixtrans-65.2-39.2173.6-69.6173.2175.700112.5K22 R23 F24 F69K22-E26 IonicContact NZ-OE1 3.31Å; K22-E26 PolarHBondContact NZ-OE1 3.33Å; K22-E26 WeakPolarHBondContact O-CG 3.47Å; K22-E26 PolarHBondContact O-N 3.4Å; R23-E26 WeakPolarHBondContact CD-OE2 3.44Å; R23-E26 IonicContact NH1-OE2 3.65Å; R23-E26 PolarHBondContact NH1-OE2 3.06Å; R23-E26 VanDerWaalsContact NH1-OE2 3.16Å; R23-E26 WeakPolarHBondContact O-CB 3.43Å; R23-E26 PolarHBondContact O-N 2.83Å; F24-E26 VanDerWaalsContact C-N 3.33Å; F24-E26 PolarHBondContact O-N 3.09Å; E26-F69 HydrophobicContact CG-CE1 4.18Å; E26-F69 HydrophobicContact CG-CZ 3.87Å
27K97.2Very high95.9Very high66 Ų6629.9 Ų29.929%0.28715%0.148SC..Hα-helixtrans-75.6-29.5-178.7-70.2174.175.9166.40112.4R23 F24 P29 E162 A165 D166R23-K27 HydrophobicContact CG-CD 4.16Å; R23-K27 WeakPolarHBondContact O-CG 3.37Å; R23-K27 PolarHBondContact O-N 3.25Å; F24-K27 PolarHBondContact O-N 2.99Å; K27-P29 VanDerWaalsContact C-CD 3.49Å; K27-P29 WeakPolarHBondContact O-CD 3.48Å; K27-E162 IonicContact NZ-OE2 3.83Å; K27-E162 PolarHBondContact NZ-OE2 3.04Å; K27-A165 HydrophobicContact CD-CB 4.46Å; K27-D166 VanDerWaalsContact CE-OD1 3.3Å; K27-D166 WeakPolarHBondContact CE-OD1 3.32Å; K27-D166 VanDerWaalsContact NZ-CG 3.3Å; K27-D166 IonicContact NZ-OD1 3.6Å; K27-D166 PolarHBondContact NZ-OD1 2.76Å; K27-D166 IonicContact NZ-OD2 2.69Å; K27-D166 PolarHBondContact NZ-OD2 3.34Å
28H95.5Very high96Very high25 Ų2531.3 Ų31.312%0.11615%0.154CC..  trans-124.770.6-173-62.8-74.1000113F24 E30 R31 Y169F24-H28 AromaticContact CD2-CD2 3.8Å; F24-H28 HydrophobicContact CE2-CB 4.27Å; F24-H28 PolarHBondContact O-CD2 3.25Å; F24-H28 PolarHBondContact O-N 2.98Å; H28-E30 VanDerWaalsContact CA-OE2 3.27Å; H28-E30 WeakPolarHBondContact CA-OE2 3.24Å; H28-E30 WeakPolarHBondContact CB-OE1 3.37Å; H28-E30 IonicContact CG-OE1 3.71Å; H28-E30 IonicContact ND1-OE1 2.83Å; H28-E30 PolarHBondContact ND1-OE1 2.89Å; H28-E30 PolarHBondContact O-N 3.29Å; H28-E30 VanDerWaalsContact O-N 3.13Å; H28-R31 HydrophobicContact CB-CB 4.38Å; H28-R31 HydrophobicContact CB-CG 3.82Å; H28-R31 WeakPolarHBondContact O-CB 3.45Å; H28-R31 PolarHBondContact O-N 3.49Å; H28-Y169 HydrophobicContact CB-CD2 4.3Å; H28-Y169 AromaticContact CD2-CD2 3.68Å; H28-Y169 AromaticContact CD2-CG 3.79Å; H28-Y169 AromaticContact CE1-CD1 3.58Å; H28-Y169 AromaticContact CE1-CD2 3.48Å; H28-Y169 VanDerWaalsContact CE1-CD2 3.48Å; H28-Y169 WeakPolarHBondContact CE1-CD2 3.47Å; H28-Y169 AromaticContact CE1-CE1 3.65Å; H28-Y169 AromaticContact CE1-CE2 3.54Å; H28-Y169 AromaticContact CE1-CG 3.49Å; H28-Y169 VanDerWaalsContact CE1-CG 3.49Å; H28-Y169 AromaticContact CE1-CZ 3.62Å; H28-Y169 AromaticContact CG-CD2 3.53Å; H28-Y169 AromaticContact CG-CE2 3.82Å; H28-Y169 AromaticContact ND1-CD2 3.4Å; H28-Y169 WeakPolarHBondContact ND1-CD2 3.47Å; H28-Y169 AromaticContact ND1-CE2 3.27Å; H28-Y169 VanDerWaalsContact ND1-CE2 3.27Å; H28-Y169 WeakPolarHBondContact ND1-CE2 3.28Å; H28-Y169 AromaticContact ND1-CG 3.92Å; H28-Y169 AromaticContact ND1-CZ 3.71Å; H28-Y169 AromaticContact NE2-CD1 3.76Å; H28-Y169 AromaticContact NE2-CD2 3.68Å; H28-Y169 AromaticContact NE2-CG 3.41Å
29P93.8Very high96Very high77 Ų7731.3 Ų31.350%0.515%0.154SC..G310 helixtrans-56.3-26.3176.5-23.734.1000114.2K27 R31 H32K27-P29 VanDerWaalsContact C-CD 3.49Å; K27-P29 WeakPolarHBondContact O-CD 3.48Å; P29-R31 PolarHBondContact O-N 3.18Å; P29-H32 WeakPolarHBondContact O-CB 3.48Å; P29-H32 PolarHBondContact O-N 2.63Å; P29-H32 VanDerWaalsContact O-N 3.12Å
30E93.3Very high95.8Very high82 Ų8229.2 Ų29.238%0.38314%0.141SC..G310 helixtrans-63.4-15.5175.371.2-77.9-176.300114H28 I34H28-E30 VanDerWaalsContact CA-OE2 3.27Å; H28-E30 WeakPolarHBondContact CA-OE2 3.24Å; H28-E30 WeakPolarHBondContact CB-OE1 3.37Å; H28-E30 IonicContact CG-OE1 3.71Å; H28-E30 IonicContact ND1-OE1 2.83Å; H28-E30 PolarHBondContact ND1-OE1 2.89Å; H28-E30 PolarHBondContact O-N 3.29Å; H28-E30 VanDerWaalsContact O-N 3.13Å; E30-I34 WeakPolarHBondContact O-CD1 3.45Å
31R92.9Very high95.4Very high4 Ų429.8 Ų29.82%0.01515%0.146CC..G310 helixtrans-94.9-3.7177.1-56-60-65.4-168-0.3113.1E3 S5 F24 H28 P29 I34 D35E3-R31 PolarHBondContact O-NH2 3.21Å; S5-R31 PolarHBondContact OG-NH2 3.32Å; F24-R31 HydrophobicContact CE2-CG 4.38Å; F24-R31 HydrophobicContact CZ-CB 4.15Å; F24-R31 HydrophobicContact CZ-CG 4.06Å; H28-R31 HydrophobicContact CB-CB 4.38Å; H28-R31 HydrophobicContact CB-CG 3.82Å; H28-R31 WeakPolarHBondContact O-CB 3.45Å; H28-R31 PolarHBondContact O-N 3.49Å; P29-R31 PolarHBondContact O-N 3.18Å; R31-I34 WeakPolarHBondContact O-CB 3.49Å; R31-I34 PolarHBondContact O-N 3.39Å; R31-D35 WeakPolarHBondContact CB-OD2 3.33Å; R31-D35 IonicContact CZ-OD1 2.8Å; R31-D35 IonicContact CZ-OD2 3.86Å; R31-D35 VanDerWaalsContact CZ-OD2 3.3Å; R31-D35 IonicContact NE-OD1 3.51Å; R31-D35 IonicContact NE-OD2 3.6Å; R31-D35 PolarHBondContact NE-OD2 2.87Å; R31-D35 VanDerWaalsContact NH2-CG 3.25Å; R31-D35 IonicContact NH2-OD1 3.95Å; R31-D35 PolarHBondContact NH2-OD1 3.07Å; R31-D35 IonicContact NH2-OD2 3.5Å; R31-D35 PolarHBondContact NH2-OD2 2.82Å; R31-D35 PolarHBondContact O-N 3.04Å; R31-D35 VanDerWaalsContact O-N 3.17Å
32H93.9Very high94.7Very high45 Ų4533.3 Ų33.321%0.20817%0.167CC..THydrogen-bonded Turntrans-65.5139.4174.9-64.7-179.7000110.5L25 P29 I34 F69 W77L25-H32 PolarHBondContact O-NE2 3.46Å; P29-H32 WeakPolarHBondContact O-CB 3.48Å; P29-H32 PolarHBondContact O-N 2.63Å; P29-H32 VanDerWaalsContact O-N 3.12Å; H32-I34 PolarHBondContact O-N 2.91Å; H32-F69 AromaticContact CE1-CD1 3.48Å; H32-F69 VanDerWaalsContact CE1-CD1 3.48Å; H32-F69 WeakPolarHBondContact CE1-CD1 3.48Å; H32-F69 AromaticContact NE2-CD1 3.49Å; H32-F69 WeakPolarHBondContact NE2-CD1 3.49Å; H32-F69 AromaticContact NE2-CE1 3.83Å; H32-W77 HydrophobicContact CB-CH2 4.02Å; H32-W77 HydrophobicContact CB-CZ3 4.16Å
33G91.8Very high93.5Very high1 Ų132.9 Ų32.91%0.0117%0.168CC..THydrogen-bonded Turntrans77.3-6.3-174.500000114.4R74 W77G33-R74 VanDerWaalsContact O-CD 3.27Å; G33-R74 WeakPolarHBondContact O-CD 3.1Å; G33-R74 PolarHBondContact O-NH1 2.99Å; G33-W77 VanDerWaalsContact CA-CD2 3.42Å; G33-W77 VanDerWaalsContact N-CE2 3.3Å; G33-W77 VanDerWaalsContact N-CZ2 3.29Å
34I92.6Very high92.1Very high33 Ų3334 Ų3417%0.16918%0.18CC..THydrogen-bonded Turntrans-113.7-53.6-169.9-60.3-177.1000110.4N2 P4 E30 R31 H32N2-I34 HydrophobicContact CB-CD1 3.93Å; P4-I34 VanDerWaalsContact CA-CG2 3.41Å; P4-I34 HydrophobicContact CB-CG2 4.05Å; P4-I34 WeakPolarHBondContact CB-O 3.42Å; E30-I34 WeakPolarHBondContact O-CD1 3.45Å; R31-I34 WeakPolarHBondContact O-CB 3.49Å; R31-I34 PolarHBondContact O-N 3.39Å; H32-I34 PolarHBondContact O-N 2.91Å
35D96.3Very high90.6Very high0 Ų041.9 Ų41.90%021%0.21CC..  trans-91.6145.9-176.2-69.3-18.5000113.1S5 F7 F24 R31 W77S5-D35 VanDerWaalsContact CB-OD1 3.29Å; S5-D35 WeakPolarHBondContact CB-OD1 3.39Å; S5-D35 PolarHBondContact N-OD1 3.03Å; F7-D35 HydrophobicContact CE2-CB 4.03Å; F24-D35 HydrophobicContact CE1-CB 4.33Å; F24-D35 VanDerWaalsContact CZ-OD2 3.28Å; F24-D35 WeakPolarHBondContact CZ-OD2 3.4Å; R31-D35 WeakPolarHBondContact CB-OD2 3.33Å; R31-D35 IonicContact CZ-OD1 2.8Å; R31-D35 IonicContact CZ-OD2 3.86Å; R31-D35 VanDerWaalsContact CZ-OD2 3.3Å; R31-D35 IonicContact NE-OD1 3.51Å; R31-D35 IonicContact NE-OD2 3.6Å; R31-D35 PolarHBondContact NE-OD2 2.87Å; R31-D35 VanDerWaalsContact NH2-CG 3.25Å; R31-D35 IonicContact NH2-OD1 3.95Å; R31-D35 PolarHBondContact NH2-OD1 3.07Å; R31-D35 IonicContact NH2-OD2 3.5Å; R31-D35 PolarHBondContact NH2-OD2 2.82Å; R31-D35 PolarHBondContact O-N 3.04Å; R31-D35 VanDerWaalsContact O-N 3.17Å; D35-W77 VanDerWaalsContact O-CZ2 3.3Å; D35-W77 WeakPolarHBondContact O-CZ2 3.4Å; D35-W77 PolarHBondContact O-NE1 3.08Å
36V97.1Very high89.3Confident34 Ų3448.6 Ų48.621%0.20624%0.235CC..EExtended strand (participates in β ladder)trans-140.4135176.853.40000110.8S5 Y6 F7 P79 V81S5-V36 PolarHBondContact O-N 2.9Å; Y6-V36 HydrophobicContact CD2-CG1 3.86Å; F7-V36 WeakPolarHBondContact CB-O 3.32Å; F7-V36 PolarHBondContact N-O 2.96Å; V36-P79 WeakPolarHBondContact CA-O 3.46Å; V36-V81 HydrophobicContact CG2-CG2 3.97Å
37L97.8Very high88.2Confident0 Ų049.7 Ų49.70%026%0.259CS..EExtended strand (participates in β ladder)trans-99.1114.9168.3175.664.6000109.8F7 L18 F21 P79 V80 V81F7-L37 HydrophobicContact CB-CB 4.43Å; F7-L37 HydrophobicContact CB-CD1 3.82Å; F7-L37 WeakPolarHBondContact O-CA 3.46Å; L18-L37 HydrophobicContact CD2-CD2 4.28Å; F21-L37 HydrophobicContact CB-CD2 4.12Å; F21-L37 HydrophobicContact CD1-CB 3.95Å; F21-L37 HydrophobicContact CD1-CD2 4.1Å; F21-L37 HydrophobicContact CD2-CB 4.14Å; F21-L37 HydrophobicContact CD2-CD2 4.27Å; F21-L37 HydrophobicContact CE1-CB 3.64Å; F21-L37 HydrophobicContact CE2-CB 3.86Å; F21-L37 HydrophobicContact CG-CB 4.19Å; F21-L37 HydrophobicContact CG-CD2 3.9Å; F21-L37 HydrophobicContact CZ-CB 3.6Å; L37-P79 PolarHBondContact N-O 2.77Å; L37-V80 HydrophobicContact CB-CG2 4.4Å; L37-V80 CarbonylContact O-C 3.58Å; L37-V80 WeakPolarHBondContact O-CA 3.37Å; L37-V81 PolarHBondContact O-N 2.86Å
38F97.2Very high87.4Confident32 Ų3249.7 Ų49.714%0.1426%0.264CS..EExtended strand (participates in β ladder)trans-102.4112.9172-167.2-67.9000110.1Y6 F7 F8 S9 V40 V81 Q83 L87 H95Y6-F38 HydrophobicContact CD2-CB 4.47Å; Y6-F38 HydrophobicContact CE2-CB 3.43Å; Y6-F38 VanDerWaalsContact CE2-CB 3.43Å; Y6-F38 HydrophobicContact CE2-CD2 4.41Å; Y6-F38 HydrophobicContact CE2-CG 4.16Å; F7-F38 PolarHBondContact O-N 2.76Å; F8-F38 HydrophobicContact CD2-CB 4.25Å; F8-F38 AromaticContact CD2-CD1 3.9Å; F8-F38 HydrophobicContact CD2-CD1 3.9Å; F8-F38 HydrophobicContact CD2-CG 4.41Å; F8-F38 AromaticContact CE2-CD1 3.7Å; F8-F38 HydrophobicContact CE2-CD1 3.7Å; F8-F38 HydrophobicContact CE2-CE1 4.21Å; S9-F38 PolarHBondContact N-O 3.4Å; F38-V40 HydrophobicContact CD1-CG2 4.02Å; F38-V40 HydrophobicContact CE1-CG2 3.64Å; F38-V81 WeakPolarHBondContact CA-O 3.49Å; F38-V81 HydrophobicContact CD2-CB 3.67Å; F38-V81 HydrophobicContact CD2-CG1 3.56Å; F38-V81 HydrophobicContact CD2-CG2 4.43Å; F38-V81 HydrophobicContact CE2-CB 4.14Å; F38-V81 HydrophobicContact CE2-CG1 3.47Å; F38-V81 VanDerWaalsContact CE2-CG1 3.47Å; F38-V81 HydrophobicContact CG-CB 4.26Å; F38-V81 HydrophobicContact CG-CG1 4.4Å; F38-V81 HydrophobicContact CZ-CG1 4.26Å; F38-Q83 HydrophobicContact CE1-CB 4.04Å; F38-Q83 HydrophobicContact CZ-CB 4.19Å; F38-L87 HydrophobicContact CE1-CD1 4.22Å; F38-H95 AromaticContact CE1-NE2 3.95Å; F38-H95 AromaticContact CE2-CE1 3.98Å; F38-H95 AromaticContact CZ-CE1 3.84Å; F38-H95 AromaticContact CZ-NE2 3.81Å
39Q96.2Very high86.7Confident1 Ų154.6 Ų54.61%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-111.9112.7-175.5176.164.478.100109.5S9 C11 L13 A41 V81 L82 Q83S9-Q39 CarbonylContact O-C 3.59Å; S9-Q39 WeakPolarHBondContact O-CA 3.3Å; S9-Q39 PolarHBondContact O-NE2 3.32Å; S9-Q39 PolarHBondContact OG-OE1 3.14Å; C11-Q39 PolarHBondContact O-NE2 3.24Å; L13-Q39 HydrophobicContact CD1-CG 3.68Å; Q39-A41 HydrophobicContact CG-CB 4.41Å; Q39-V81 PolarHBondContact N-O 3.33Å; Q39-L82 HydrophobicContact CB-CD1 4.25Å; Q39-L82 HydrophobicContact CG-CD1 3.93Å; Q39-L82 WeakPolarHBondContact O-CA 3.45Å; Q39-Q83 PolarHBondContact O-N 3.03Å
40V93.9Very high86.1Confident9 Ų954.9 Ų54.96%0.05529%0.291CS..EExtended strand (participates in β ladder)trans-88.9121.8167.5-177.70000108F8 S9 F38 Q83 L87F8-V40 HydrophobicContact CE2-CG2 3.75Å; F8-V40 HydrophobicContact CZ-CG2 3.95Å; S9-V40 PolarHBondContact O-N 3.17Å; F38-V40 HydrophobicContact CD1-CG2 4.02Å; F38-V40 HydrophobicContact CE1-CG2 3.64Å; V40-Q83 HydrophobicContact CG2-CB 4.37Å; V40-L87 HydrophobicContact CG2-CD1 3.62Å; V40-L87 HydrophobicContact CG2-CG 4.26Å
41A88.4Confident85.4Confident13 Ų1356.2 Ų56.211%0.10729%0.293CS..  trans-144.794.5179.300000110.7L13 Q39 T43 L82 Q83 T84L13-A41 HydrophobicContact CB-CB 3.53Å; L13-A41 HydrophobicContact CD2-CB 4.29Å; L13-A41 HydrophobicContact CG-CB 4.36Å; Q39-A41 HydrophobicContact CG-CB 4.41Å; A41-T43 PolarHBondContact O-N 3.23Å; A41-T43 VanDerWaalsContact O-N 3.17Å; A41-L82 HydrophobicContact CB-CD1 4.24Å; A41-Q83 PolarHBondContact N-O 3.27Å; A41-T84 WeakPolarHBondContact O-CA 3.46Å
42V82.3Confident84.9Confident73 Ų7360.9 Ų60.944%0.44231%0.311SS..  trans-60.7121.1-179.3-170.60000109.7N44 T84V42-N44 VanDerWaalsContact C-N 3.27Å; V42-N44 WeakPolarHBondContact CG1-OD1 3.37Å; V42-N44 PolarHBondContact O-N 3.17Å; V42-T84 WeakPolarHBondContact CA-O 3.4Å
43T73.8Confident84.5Confident33 Ų3362 Ų6220%0.20232%0.318CS..  trans-72.585.1176.256.80000110.1A41 R46 T84A41-T43 PolarHBondContact O-N 3.23Å; A41-T43 VanDerWaalsContact O-N 3.17Å; T43-R46 PolarHBondContact OG1-NE 3.12Å; T43-R46 PolarHBondContact OG1-NH2 3.18Å; T43-T84 HydrophobicContact CG2-CG2 3.94Å; T43-T84 PolarHBondContact N-O 2.82Å; T43-T84 VanDerWaalsContact N-O 3.14Å
44N68.2Low84.2Confident103 Ų10365.3 Ų65.355%0.55133%0.331SS*.  trans-93.2156.3173.6-70.3-31.1000110.3V42 R46 Q55V42-N44 VanDerWaalsContact C-N 3.27Å; V42-N44 WeakPolarHBondContact CG1-OD1 3.37Å; V42-N44 PolarHBondContact O-N 3.17Å; N44-R46 PolarHBondContact O-N 3.28Å; N44-Q55 PolarHBondContact O-NE2 3.18Å
45R67.1Low83.9Confident165 Ų16565 Ų6562%0.62333%0.329SS*.  trans57.935.7171.4-55.4-178.9179.6178.2-1.6115.5A47 V48 Y51R45-A47 PolarHBondContact O-N 3.29Å; R45-V48 HydrophobicContact CB-CG2 4.31Å; R45-V48 PolarHBondContact O-N 2.88Å; R45-Y51 HydrophobicContact CB-CG 4.45Å; R45-Y51 PolarHBondContact NH1-OH 3.16Å
46R69.9Low83.5Confident141 Ų14169.2 Ų69.253%0.53235%0.351SS..THydrogen-bonded Turntrans-58.9-14.9174.1-63.3-162.9-159.9-167.55114.6T43 N44 V48T43-R46 PolarHBondContact OG1-NE 3.12Å; T43-R46 PolarHBondContact OG1-NH2 3.18Å; N44-R46 PolarHBondContact O-N 3.28Å; R46-V48 PolarHBondContact O-N 2.88Å
47A73.4Confident83.3Confident107 Ų10771.4 Ų71.488%0.88437%0.367SS*.THydrogen-bonded Turntrans-71-16.7172.200000113.5R45R45-A47 PolarHBondContact O-N 3.29Å
48V79.8Confident83Confident65 Ų6571.4 Ų71.439%0.39437%0.367SS..SBendtrans-96.7112.6176.5-174.30000108.1R45 R46 S50 Y51 R52R45-V48 HydrophobicContact CB-CG2 4.31Å; R45-V48 PolarHBondContact O-N 2.88Å; R46-V48 PolarHBondContact O-N 2.88Å; V48-S50 VanDerWaalsContact C-N 3.32Å; V48-S50 PolarHBondContact O-N 2.85Å; V48-Y51 HydrophobicContact CB-CD2 3.92Å; V48-Y51 HydrophobicContact CG1-CD2 3.75Å; V48-Y51 HydrophobicContact CG1-CE2 4.46Å; V48-Y51 WeakPolarHBondContact O-CB 3.4Å; V48-Y51 PolarHBondContact O-N 2.85Å; V48-R52 PolarHBondContact O-N 2.86Å; V48-R52 VanDerWaalsContact O-N 3.09Å
49E81.4Confident82.8Confident129 Ų12971.5 Ų71.560%0.60337%0.372SS*.Hα-helixtrans-50-48.5-174.4-179.1167.7-141.400112.7Y51 R52 D53E49-Y51 VanDerWaalsContact C-N 3.27Å; E49-Y51 PolarHBondContact O-N 2.7Å; E49-R52 WeakPolarHBondContact O-CB 3.37Å; E49-R52 PolarHBondContact O-N 3.12Å; E49-R52 IonicContact OE1-NH2 2.6Å; E49-D53 WeakPolarHBondContact CG-OD2 3.49Å; E49-D53 PolarHBondContact O-N 2.82Å
50S80.8Confident82.7Confident82 Ų8274.3 Ų74.357%0.57340%0.395SS*.Hα-helixtrans-60.5-32179.359.60000114.3V48 Y54V48-S50 VanDerWaalsContact C-N 3.32Å; V48-S50 PolarHBondContact O-N 2.85Å; S50-Y54 WeakPolarHBondContact O-CB 3.41Å; S50-Y54 PolarHBondContact O-N 3.05Å
51Y78.9Confident82.8Confident110 Ų11075.2 Ų75.243%0.43140%0.4SS..Hα-helixtrans-76.3-38.3175.4-83.8-91.2000111.7R45 V48 E49 Q55R45-Y51 HydrophobicContact CB-CG 4.45Å; R45-Y51 PolarHBondContact NH1-OH 3.16Å; V48-Y51 HydrophobicContact CB-CD2 3.92Å; V48-Y51 HydrophobicContact CG1-CD2 3.75Å; V48-Y51 HydrophobicContact CG1-CE2 4.46Å; V48-Y51 WeakPolarHBondContact O-CB 3.4Å; V48-Y51 PolarHBondContact O-N 2.85Å; E49-Y51 VanDerWaalsContact C-N 3.27Å; E49-Y51 PolarHBondContact O-N 2.7Å; Y51-Q55 WeakPolarHBondContact O-CB 3.27Å; Y51-Q55 VanDerWaalsContact O-CG 3.28Å; Y51-Q55 WeakPolarHBondContact O-CG 3.5Å; Y51-Q55 PolarHBondContact O-N 3.47Å
52R82Confident83.2Confident103 Ų10374.9 Ų74.939%0.38940%0.396SS..Hα-helixtrans-64.2-52.8177-178.3-171.265.2-170.3-4.4110.3V48 E49 Y54 Q55 D56V48-R52 PolarHBondContact O-N 2.86Å; V48-R52 VanDerWaalsContact O-N 3.09Å; E49-R52 WeakPolarHBondContact O-CB 3.37Å; E49-R52 PolarHBondContact O-N 3.12Å; E49-R52 IonicContact OE1-NH2 2.6Å; R52-Y54 PolarHBondContact O-N 3.04Å; R52-Q55 WeakPolarHBondContact O-CB 3.3Å; R52-Q55 PolarHBondContact O-N 3.34Å; R52-D56 PolarHBondContact O-N 2.69Å
53D86Confident83.8Confident67 Ų6776.7 Ų76.736%0.35840%0.403SS..Hα-helixtrans-60.3-38.8-177.2-60.5-7.3000110.9E49 D56 C57E49-D53 WeakPolarHBondContact CG-OD2 3.49Å; E49-D53 PolarHBondContact O-N 2.82Å; D53-D56 PolarHBondContact O-N 3.35Å; D53-C57 WeakPolarHBondContact O-CB 3.39Å; D53-C57 PolarHBondContact O-N 2.98Å; D53-C57 PolarHBondContact O-SG 3Å
54Y85.7Confident84.9Confident71 Ų7180.9 Ų80.928%0.27842%0.419SS..Hα-helixtrans-66.4-40.7175.1-168.7-101.6000113.1L13 R14 T15 E16 S50 R52 D56 C57 C58L13-Y54 WeakPolarHBondContact O-CE1 3.36Å; R14-Y54 VanDerWaalsContact CA-OH 3.27Å; R14-Y54 WeakPolarHBondContact CA-OH 3.36Å; R14-Y54 WeakPolarHBondContact CD-OH 3.37Å; T15-Y54 HydrophobicContact CG2-CE2 4.03Å; T15-Y54 PolarHBondContact N-OH 3.19Å; T15-Y54 PolarHBondContact OG1-OH 2.87Å; T15-Y54 VanDerWaalsContact OG1-OH 3.05Å; E16-Y54 PolarHBondContact OE2-OH 2.89Å; S50-Y54 WeakPolarHBondContact O-CB 3.41Å; S50-Y54 PolarHBondContact O-N 3.05Å; R52-Y54 PolarHBondContact O-N 3.04Å; Y54-D56 VanDerWaalsContact C-N 3.35Å; Y54-C57 PolarHBondContact O-N 3.37Å; Y54-C58 PolarHBondContact O-N 3.2Å; Y54-C58 PolarHBondContact O-SG 3.4Å
55Q85.4Confident86.3Confident27 Ų2776 Ų7613%0.12639%0.393CS..Hα-helixtrans-64.5-40.1174.8-76.3171600111.5N44 Y51 R52 C58 S59N44-Q55 PolarHBondContact O-NE2 3.18Å; Y51-Q55 WeakPolarHBondContact O-CB 3.27Å; Y51-Q55 VanDerWaalsContact O-CG 3.28Å; Y51-Q55 WeakPolarHBondContact O-CG 3.5Å; Y51-Q55 PolarHBondContact O-N 3.47Å; R52-Q55 WeakPolarHBondContact O-CB 3.3Å; R52-Q55 PolarHBondContact O-N 3.34Å; Q55-C58 PolarHBondContact O-N 3.49Å; Q55-S59 WeakPolarHBondContact O-CB 3.33Å; Q55-S59 PolarHBondContact O-N 2.91Å; Q55-S59 PolarHBondContact O-OG 3.42Å
56D88.9Confident87.6Confident89 Ų8969.9 Ų69.948%0.47637%0.372SS..Hα-helixtrans-66.6-44.3177.6-67.3-16.1000110.7R52 D53 Y54 C58 S59 A60R52-D56 PolarHBondContact O-N 2.69Å; D53-D56 PolarHBondContact O-N 3.35Å; Y54-D56 VanDerWaalsContact C-N 3.35Å; D56-C58 VanDerWaalsContact C-N 3.33Å; D56-C58 PolarHBondContact O-N 3.48Å; D56-S59 PolarHBondContact O-N 3.17Å; D56-A60 WeakPolarHBondContact O-CB 3.42Å; D56-A60 PolarHBondContact O-N 3.23Å
57C91.9Very high88.8Confident79 Ų7967.7 Ų67.753%0.53438%0.378SS..Hα-helixtrans-57.4-44.2172.4-76.10000112.3D53 Y54 L61D53-C57 WeakPolarHBondContact O-CB 3.39Å; D53-C57 PolarHBondContact O-N 2.98Å; D53-C57 PolarHBondContact O-SG 3Å; Y54-C57 PolarHBondContact O-N 3.37Å; C57-L61 WeakPolarHBondContact O-CB 3.4Å; C57-L61 PolarHBondContact O-N 3.43Å
58C92.4Very high89.8Confident0 Ų065.7 Ų65.70%036%0.358CS..Hα-helixtrans-66.8-41.3177.9-680000112L13 L18 Y54 Q55 D56 L61 V62L13-C58 HydrophobicContact CD1-CB 4.14Å; L13-C58 HydrophobicContact CD2-CB 3.31Å; L13-C58 HydrophobicContact CG-CB 3.47Å; L13-C58 VanDerWaalsContact CG-CB 3.47Å; L18-C58 HydrophobicContact CD1-CB 4.14Å; Y54-C58 PolarHBondContact O-N 3.2Å; Y54-C58 PolarHBondContact O-SG 3.4Å; Q55-C58 PolarHBondContact O-N 3.49Å; D56-C58 VanDerWaalsContact C-N 3.33Å; D56-C58 PolarHBondContact O-N 3.48Å; C58-L61 WeakPolarHBondContact O-CB 3.43Å; C58-L61 PolarHBondContact O-N 2.91Å; C58-V62 WeakPolarHBondContact O-CG2 3.33Å; C58-V62 PolarHBondContact O-N 3.09Å
59S92.5Very high90.5Very high35 Ų3563.3 Ų63.325%0.24534%0.342CS..Hα-helixtrans-63.9-45.2178.6-55.80000111.1Q55 D56 L61 V62 D63Q55-S59 WeakPolarHBondContact O-CB 3.33Å; Q55-S59 PolarHBondContact O-N 2.91Å; Q55-S59 PolarHBondContact O-OG 3.42Å; D56-S59 PolarHBondContact O-N 3.17Å; S59-L61 VanDerWaalsContact C-N 3.26Å; S59-L61 PolarHBondContact O-N 3.49Å; S59-V62 WeakPolarHBondContact O-CB 3.34Å; S59-V62 PolarHBondContact O-N 3.19Å; S59-V62 VanDerWaalsContact O-N 3.11Å; S59-D63 PolarHBondContact O-N 3.45Å
60A94.7Very high90.7Very high60 Ų6061.4 Ų61.450%0.49634%0.343SS..Hα-helixtrans-60.8-34.9174.100000112.5D56 K64D56-A60 WeakPolarHBondContact O-CB 3.42Å; D56-A60 PolarHBondContact O-N 3.23Å; A60-K64 WeakPolarHBondContact O-CB 3.4Å; A60-K64 PolarHBondContact O-N 2.87Å
61L96Very high91Very high28 Ų2858.9 Ų58.915%0.14732%0.323CS..Hα-helixtrans-69-39.5174.8-178.659.2000111.9L18 V19 C57 C58 S59 K64 I65L18-L61 HydrophobicContact CB-CD2 3.48Å; L18-L61 VanDerWaalsContact CB-CD2 3.48Å; L18-L61 HydrophobicContact CB-CG 4.04Å; L18-L61 HydrophobicContact CD1-CB 4.29Å; L18-L61 HydrophobicContact CD1-CD2 4.01Å; L18-L61 HydrophobicContact CD1-CG 4.24Å; L18-L61 HydrophobicContact CG-CD2 4.43Å; V19-L61 HydrophobicContact CG2-CD2 3.74Å; C57-L61 WeakPolarHBondContact O-CB 3.4Å; C57-L61 PolarHBondContact O-N 3.43Å; C58-L61 WeakPolarHBondContact O-CB 3.43Å; C58-L61 PolarHBondContact O-N 2.91Å; S59-L61 VanDerWaalsContact C-N 3.26Å; S59-L61 PolarHBondContact O-N 3.49Å; L61-K64 PolarHBondContact O-N 3.45Å; L61-I65 HydrophobicContact CD1-CD1 4.31Å; L61-I65 HydrophobicContact CD1-CG1 4.36Å; L61-I65 HydrophobicContact CG-CD1 4.06Å; L61-I65 VanDerWaalsContact O-CG1 3.24Å; L61-I65 WeakPolarHBondContact O-CG1 3.4Å; L61-I65 PolarHBondContact O-N 2.85Å
62V96Very high91.3Very high5 Ų559.5 Ų59.53%0.0334%0.341CS..Hα-helixtrans-59.5-46.8173169.90000110.8L18 C58 S59 K64 I65 N66 V80 L82L18-V62 HydrophobicContact CD1-CG2 3.73Å; L18-V62 HydrophobicContact CD2-CG2 3.89Å; L18-V62 HydrophobicContact CG-CG2 4.48Å; C58-V62 WeakPolarHBondContact O-CG2 3.33Å; C58-V62 PolarHBondContact O-N 3.09Å; S59-V62 WeakPolarHBondContact O-CB 3.34Å; S59-V62 PolarHBondContact O-N 3.19Å; S59-V62 VanDerWaalsContact O-N 3.11Å; V62-K64 VanDerWaalsContact C-N 3.32Å; V62-K64 PolarHBondContact O-N 3Å; V62-I65 PolarHBondContact O-N 2.99Å; V62-N66 WeakPolarHBondContact O-CB 3.27Å; V62-N66 PolarHBondContact O-N 3.23Å; V62-N66 PolarHBondContact O-ND2 3.41Å; V62-V80 HydrophobicContact CB-CG1 4.49Å; V62-V80 HydrophobicContact CG1-CB 4.11Å; V62-V80 HydrophobicContact CG1-CG1 3.93Å; V62-V80 HydrophobicContact CG2-CG1 3.88Å; V62-L82 HydrophobicContact CG1-CB 4.19Å; V62-L82 HydrophobicContact CG2-CB 4.41Å; V62-L82 HydrophobicContact CG2-CD2 4.18Å
63D95.4Very high91.6Very high112 Ų11263.6 Ų63.660%0.59936%0.361SS*.Hα-helixtrans-61.3-42.8177.1-69.3-25.1000111.5S59 I65 N66 S67S59-D63 PolarHBondContact O-N 3.45Å; D63-I65 PolarHBondContact O-N 3.13Å; D63-N66 PolarHBondContact O-N 2.84Å; D63-S67 WeakPolarHBondContact O-CB 3.4Å; D63-S67 PolarHBondContact O-N 2.85Å; D63-S67 PolarHBondContact O-OG 2.71Å
64K96.4Very high91.7Very high121 Ų12166 Ų6653%0.52637%0.365SS..Hα-helixtrans-59.8-45.2174.8-173.5176.1-177.7176.50111.8A60 L61 V62 S67 S68A60-K64 WeakPolarHBondContact O-CB 3.4Å; A60-K64 PolarHBondContact O-N 2.87Å; L61-K64 PolarHBondContact O-N 3.45Å; V62-K64 VanDerWaalsContact C-N 3.32Å; V62-K64 PolarHBondContact O-N 3Å; K64-S67 PolarHBondContact O-N 2.87Å; K64-S67 PolarHBondContact O-OG 2.82Å; K64-S68 WeakPolarHBondContact O-CB 3.36Å; K64-S68 PolarHBondContact O-N 2.92Å; K64-S68 PolarHBondContact O-OG 2.85Å
65I96.6Very high91.8Very high0 Ų067.8 Ų67.80%039%0.386CS..Hα-helixtrans-61.9-52.1177.6-68.5166000110.1L18 K22 L25 L61 V62 D63 S67 S68 F69 P79 V80L18-I65 HydrophobicContact CB-CD1 4.04Å; L18-I65 WeakPolarHBondContact O-CD1 3.45Å; K22-I65 HydrophobicContact CB-CD1 3.97Å; K22-I65 HydrophobicContact CB-CG1 3.9Å; K22-I65 HydrophobicContact CD-CG1 3.98Å; K22-I65 HydrophobicContact CG-CG1 4.14Å; L25-I65 HydrophobicContact CD1-CG2 4.42Å; L61-I65 HydrophobicContact CD1-CD1 4.31Å; L61-I65 HydrophobicContact CD1-CG1 4.36Å; L61-I65 HydrophobicContact CG-CD1 4.06Å; L61-I65 VanDerWaalsContact O-CG1 3.24Å; L61-I65 WeakPolarHBondContact O-CG1 3.4Å; L61-I65 PolarHBondContact O-N 2.85Å; V62-I65 PolarHBondContact O-N 2.99Å; D63-I65 PolarHBondContact O-N 3.13Å; I65-S67 PolarHBondContact O-N 3.06Å; I65-S68 PolarHBondContact O-N 2.81Å; I65-F69 HydrophobicContact CG2-CD2 3.88Å; I65-F69 HydrophobicContact CG2-CE2 3.99Å; I65-F69 VanDerWaalsContact O-CD2 3.22Å; I65-F69 WeakPolarHBondContact O-CD2 3.27Å; I65-F69 PolarHBondContact O-N 3.21Å; I65-F69 VanDerWaalsContact O-N 3.16Å; I65-P79 HydrophobicContact CG2-CB 4.32Å; I65-P79 HydrophobicContact CG2-CG 3.88Å; I65-V80 HydrophobicContact CB-CG2 4.47Å; I65-V80 HydrophobicContact CD1-CG2 4.44Å; I65-V80 HydrophobicContact CG2-CG2 3.78Å
66N96.1Very high92Very high37 Ų3773.1 Ų73.120%0.19841%0.411CS..Hα-helixtrans-61.3-29.5-179.9-72.9-26.2000113.2V62 D63 F69 P79 V80V62-N66 WeakPolarHBondContact O-CB 3.27Å; V62-N66 PolarHBondContact O-N 3.23Å; V62-N66 PolarHBondContact O-ND2 3.41Å; D63-N66 PolarHBondContact O-N 2.84Å; N66-F69 VanDerWaalsContact O-O 3.11Å; N66-P79 WeakPolarHBondContact OD1-CD 3.49Å; N66-P79 VanDerWaalsContact OD1-CG 3.3Å; N66-P79 WeakPolarHBondContact OD1-CG 3.28Å; N66-V80 PolarHBondContact ND2-O 3.36Å; N66-V80 PolarHBondContact OD1-N 3.45Å; N66-V80 PolarHBondContact OD1-O 3.22Å
67S94.2Very high92.2Very high94 Ų9470.4 Ų70.466%0.65739%0.394SS*.Hα-helixtrans-81.5-25.1173.769.30000114.2D63 K64 I65D63-S67 WeakPolarHBondContact O-CB 3.4Å; D63-S67 PolarHBondContact O-N 2.85Å; D63-S67 PolarHBondContact O-OG 2.71Å; K64-S67 PolarHBondContact O-N 2.87Å; K64-S67 PolarHBondContact O-OG 2.82Å; I65-S67 PolarHBondContact O-N 3.06Å
68S94.4Very high92.4Very high65 Ų6572.9 Ų72.946%0.45540%0.396SS..Hα-helixtrans-81.9-27-177.6-57.80000112.5K64 I65K64-S68 WeakPolarHBondContact O-CB 3.36Å; K64-S68 PolarHBondContact O-N 2.92Å; K64-S68 PolarHBondContact O-OG 2.85Å; I65-S68 PolarHBondContact O-N 2.81Å
69F94.2Very high92.6Very high16 Ų1672.9 Ų72.97%0.0740%0.396CS..  trans-120125.7179.9-50.8-78.2000109.8K22 L25 E26 H32 I65 N66 W77 P79K22-F69 HydrophobicContact CG-CE2 3.96Å; K22-F69 HydrophobicContact CG-CZ 4.09Å; L25-F69 HydrophobicContact CB-CD1 4.09Å; L25-F69 HydrophobicContact CB-CD2 4.3Å; L25-F69 HydrophobicContact CB-CE1 3.69Å; L25-F69 HydrophobicContact CB-CE2 3.95Å; L25-F69 HydrophobicContact CB-CG 4.37Å; L25-F69 HydrophobicContact CB-CZ 3.62Å; L25-F69 HydrophobicContact CD1-CD2 3.81Å; L25-F69 HydrophobicContact CD1-CE2 3.95Å; L25-F69 HydrophobicContact CD1-CG 4.25Å; L25-F69 HydrophobicContact CD1-CZ 4.47Å; E26-F69 HydrophobicContact CG-CE1 4.18Å; E26-F69 HydrophobicContact CG-CZ 3.87Å; H32-F69 AromaticContact CE1-CD1 3.48Å; H32-F69 VanDerWaalsContact CE1-CD1 3.48Å; H32-F69 WeakPolarHBondContact CE1-CD1 3.48Å; H32-F69 AromaticContact NE2-CD1 3.49Å; H32-F69 WeakPolarHBondContact NE2-CD1 3.49Å; H32-F69 AromaticContact NE2-CE1 3.83Å; I65-F69 HydrophobicContact CG2-CD2 3.88Å; I65-F69 HydrophobicContact CG2-CE2 3.99Å; I65-F69 VanDerWaalsContact O-CD2 3.22Å; I65-F69 WeakPolarHBondContact O-CD2 3.27Å; I65-F69 PolarHBondContact O-N 3.21Å; I65-F69 VanDerWaalsContact O-N 3.16Å; N66-F69 VanDerWaalsContact O-O 3.11Å; F69-W77 HydrophobicContact CB-CH2 4.09Å; F69-W77 HydrophobicContact CB-CZ3 3.95Å; F69-P79 HydrophobicContact CB-CG 4.24Å; F69-P79 HydrophobicContact CD2-CG 4.4Å
70S85.4Confident92.8Very high88 Ų8871.2 Ų71.262%0.61538%0.384SS*.  trans-144.1140.1175.461.40000108.2
71D87.2Confident92.8Very high30 Ų3070.8 Ų70.816%0.1638%0.375CS..BIsolated β-bridgetrans-102.3117.9170.7-179.9-4.6000108.9K73 R74 W77D71-K73 PolarHBondContact O-N 3.49Å; D71-K73 VanDerWaalsContact O-N 3.09Å; D71-K73 WeakPolarHBondContact OD1-CB 3.4Å; D71-K73 PolarHBondContact OD1-N 2.68Å; D71-R74 HydrophobicContact CB-CB 4.21Å; D71-R74 CarbonylContact O-C 3.13Å; D71-R74 PolarHBondContact O-N 2.9Å; D71-W77 HydrophobicContact CB-CE3 4.32Å
72P86Confident92.8Very high123 Ų12371.4 Ų71.480%0.79938%0.378SS*.THydrogen-bonded Turntrans-55-26.1175.4-25.634.5000114.2
73K88.1Confident92.7Very high188 Ų18873.8 Ų73.882%0.81739%0.389SS*.THydrogen-bonded Turntrans-84.1-19178-62.4178.3-179.1173.40113.1D71D71-K73 PolarHBondContact O-N 3.49Å; D71-K73 VanDerWaalsContact O-N 3.09Å; D71-K73 WeakPolarHBondContact OD1-CB 3.4Å; D71-K73 PolarHBondContact OD1-N 2.68Å
74R87.8Confident92.4Very high117 Ų11770.3 Ų70.344%0.44237%0.372SS..BIsolated β-bridgetrans-13670.4-178.3-67.1-178.4175.7-175.2-1.7109.9G33 D71 E76 W77G33-R74 VanDerWaalsContact O-CD 3.27Å; G33-R74 WeakPolarHBondContact O-CD 3.1Å; G33-R74 PolarHBondContact O-NH1 2.99Å; D71-R74 HydrophobicContact CB-CB 4.21Å; D71-R74 CarbonylContact O-C 3.13Å; D71-R74 PolarHBondContact O-N 2.9Å; R74-E76 PolarHBondContact O-N 3.19Å; R74-E76 VanDerWaalsContact O-N 3.13Å; R74-W77 HydrophobicContact CB-CB 3.93Å; R74-W77 VanDerWaalsContact O-CB 3.3Å; R74-W77 WeakPolarHBondContact O-CB 3.29Å; R74-W77 PolarHBondContact O-N 3.46Å
75P87.1Confident92Very high110 Ų11070.8 Ų70.871%0.71438%0.38SS*.THydrogen-bonded Turntrans-62.2-20.2-177.426.4-35.8000113.7
76E90.6Very high91.4Very high138 Ų13871.3 Ų71.365%0.64539%0.386SS*.THydrogen-bonded Turntrans-81.2-14.6175.374.9-70.7170.800114R74 K78R74-E76 PolarHBondContact O-N 3.19Å; R74-E76 VanDerWaalsContact O-N 3.13Å; E76-K78 PolarHBondContact O-N 2.95Å
77W94Very high91.2Very high32 Ų3271.7 Ų71.712%0.12139%0.388CS..  trans-67.1127.7-178.9172.975.2000110.5H32 G33 D35 F69 D71 R74 P79H32-W77 HydrophobicContact CB-CH2 4.02Å; H32-W77 HydrophobicContact CB-CZ3 4.16Å; G33-W77 VanDerWaalsContact CA-CD2 3.42Å; G33-W77 VanDerWaalsContact N-CE2 3.3Å; G33-W77 VanDerWaalsContact N-CZ2 3.29Å; D35-W77 VanDerWaalsContact O-CZ2 3.3Å; D35-W77 WeakPolarHBondContact O-CZ2 3.4Å; D35-W77 PolarHBondContact O-NE1 3.08Å; F69-W77 HydrophobicContact CB-CH2 4.09Å; F69-W77 HydrophobicContact CB-CZ3 3.95Å; D71-W77 HydrophobicContact CB-CE3 4.32Å; R74-W77 HydrophobicContact CB-CB 3.93Å; R74-W77 VanDerWaalsContact O-CB 3.3Å; R74-W77 WeakPolarHBondContact O-CB 3.29Å; R74-W77 PolarHBondContact O-N 3.46Å; W77-P79 HydrophobicContact CH2-CB 3.79Å; W77-P79 HydrophobicContact CH2-CG 4.19Å; W77-P79 HydrophobicContact CZ2-CB 3.66Å; W77-P79 HydrophobicContact CZ2-CG 4.43Å; W77-P79 HydrophobicContact CZ3-CG 4.48Å
78K95.2Very high91.1Very high131 Ų13170.9 Ų70.957%0.5738%0.38SS*.  trans-117.2120169.7-67-177.9-179.5-178.40107.9E76 V80E76-K78 PolarHBondContact O-N 2.95Å; K78-V80 PolarHBondContact O-N 2.75Å
79P96.2Very high91Very high0 Ų073.9 Ų73.90%038%0.382CS..SBendtrans-59.5-31.1177.722-34.1000112.4F21 L25 V36 L37 I65 N66 F69 W77F21-P79 HydrophobicContact CE1-CB 4.23Å; F21-P79 VanDerWaalsContact CE1-O 3.32Å; F21-P79 WeakPolarHBondContact CE1-O 3.33Å; L25-P79 HydrophobicContact CD1-CB 3.5Å; L25-P79 HydrophobicContact CD1-CG 4.32Å; V36-P79 WeakPolarHBondContact CA-O 3.46Å; L37-P79 PolarHBondContact N-O 2.77Å; I65-P79 HydrophobicContact CG2-CB 4.32Å; I65-P79 HydrophobicContact CG2-CG 3.88Å; N66-P79 WeakPolarHBondContact OD1-CD 3.49Å; N66-P79 VanDerWaalsContact OD1-CG 3.3Å; N66-P79 WeakPolarHBondContact OD1-CG 3.28Å; F69-P79 HydrophobicContact CB-CG 4.24Å; F69-P79 HydrophobicContact CD2-CG 4.4Å; W77-P79 HydrophobicContact CH2-CB 3.79Å; W77-P79 HydrophobicContact CH2-CG 4.19Å; W77-P79 HydrophobicContact CZ2-CB 3.66Å; W77-P79 HydrophobicContact CZ2-CG 4.43Å; W77-P79 HydrophobicContact CZ3-CG 4.48Å
80V97.1Very high91Very high1 Ų179.8 Ų79.81%0.00641%0.407CS..EExtended strand (participates in β ladder)trans-127.6121.7179.1-174.10000111.2L18 F21 L37 V62 I65 N66 K78L18-V80 HydrophobicContact CD2-CG1 4.07Å; F21-V80 HydrophobicContact CD1-CG2 3.73Å; F21-V80 HydrophobicContact CE1-CG2 3.89Å; L37-V80 HydrophobicContact CB-CG2 4.4Å; L37-V80 CarbonylContact O-C 3.58Å; L37-V80 WeakPolarHBondContact O-CA 3.37Å; V62-V80 HydrophobicContact CB-CG1 4.49Å; V62-V80 HydrophobicContact CG1-CB 4.11Å; V62-V80 HydrophobicContact CG1-CG1 3.93Å; V62-V80 HydrophobicContact CG2-CG1 3.88Å; I65-V80 HydrophobicContact CB-CG2 4.47Å; I65-V80 HydrophobicContact CD1-CG2 4.44Å; I65-V80 HydrophobicContact CG2-CG2 3.78Å; N66-V80 PolarHBondContact ND2-O 3.36Å; N66-V80 PolarHBondContact OD1-N 3.45Å; N66-V80 PolarHBondContact OD1-O 3.22Å; K78-V80 PolarHBondContact O-N 2.75Å
81V95.5Very high91.5Very high50 Ų5081.2 Ų81.230%0.30340%0.4SS..EExtended strand (participates in β ladder)trans-106.4113.1172.5-177.50000108.7V36 L37 F38 Q39V36-V81 HydrophobicContact CG2-CG2 3.97Å; L37-V81 PolarHBondContact O-N 2.86Å; F38-V81 WeakPolarHBondContact CA-O 3.49Å; F38-V81 HydrophobicContact CD2-CB 3.67Å; F38-V81 HydrophobicContact CD2-CG1 3.56Å; F38-V81 HydrophobicContact CD2-CG2 4.43Å; F38-V81 HydrophobicContact CE2-CB 4.14Å; F38-V81 HydrophobicContact CE2-CG1 3.47Å; F38-V81 VanDerWaalsContact CE2-CG1 3.47Å; F38-V81 HydrophobicContact CG-CB 4.26Å; F38-V81 HydrophobicContact CG-CG1 4.4Å; F38-V81 HydrophobicContact CZ-CG1 4.26Å; Q39-V81 PolarHBondContact N-O 3.33Å
82L94.7Very high91.9Very high41 Ų4180.7 Ų80.722%0.21540%0.398CS..EExtended strand (participates in β ladder)trans-103122-179.8179.264.3000110.5L13 Q39 A41 V62 T84L13-L82 HydrophobicContact CD1-CD1 3.91Å; L13-L82 HydrophobicContact CD2-CD1 4.04Å; L13-L82 HydrophobicContact CD2-CD2 4.3Å; Q39-L82 HydrophobicContact CB-CD1 4.25Å; Q39-L82 HydrophobicContact CG-CD1 3.93Å; Q39-L82 WeakPolarHBondContact O-CA 3.45Å; A41-L82 HydrophobicContact CB-CD1 4.24Å; V62-L82 HydrophobicContact CG1-CB 4.19Å; V62-L82 HydrophobicContact CG2-CB 4.41Å; V62-L82 HydrophobicContact CG2-CD2 4.18Å; L82-T84 HydrophobicContact CD2-CG2 4.18Å; L82-T84 HydrophobicContact CG-CG2 4.06Å
83Q94.1Very high92.4Very high55 Ų5576.9 Ų76.926%0.25737%0.372SS..EExtended strand (participates in β ladder)trans-111.5110.6176.1176.759.82200110.7F38 Q39 V40 A41 G86 L87F38-Q83 HydrophobicContact CE1-CB 4.04Å; F38-Q83 HydrophobicContact CZ-CB 4.19Å; Q39-Q83 PolarHBondContact O-N 3.03Å; V40-Q83 HydrophobicContact CG2-CB 4.37Å; A41-Q83 PolarHBondContact N-O 3.27Å; Q83-G86 PolarHBondContact NE2-O 3.21Å; Q83-G86 VanDerWaalsContact NE2-O 3.12Å; Q83-L87 HydrophobicContact CG-CD1 4.48Å; Q83-L87 HydrophobicContact CG-CD2 3.92Å; Q83-L87 HydrophobicContact CG-CG 3.92Å
84T90.2Very high92.8Very high39 Ų3970.2 Ų70.224%0.23935%0.352CS..  trans-96.9-21.2-172.551.70000115.4A41 V42 T43 L82 G86A41-T84 WeakPolarHBondContact O-CA 3.46Å; V42-T84 WeakPolarHBondContact CA-O 3.4Å; T43-T84 HydrophobicContact CG2-CG2 3.94Å; T43-T84 PolarHBondContact N-O 2.82Å; T43-T84 VanDerWaalsContact N-O 3.14Å; L82-T84 HydrophobicContact CD2-CG2 4.18Å; L82-T84 HydrophobicContact CG-CG2 4.06Å; T84-G86 PolarHBondContact O-N 3.17Å
85D86.7Confident93.3Very high131 Ų13166.7 Ų66.770%0.70134%0.341SS*.SBendtrans-84.34.8-175.2-57.6-31.3000112.9
86G85.4Confident93.7Very high12 Ų1261.6 Ų61.612%0.12431%0.307CS..  trans69.2-179.1-166.500000112.4Q83 T84Q83-G86 PolarHBondContact NE2-O 3.21Å; Q83-G86 VanDerWaalsContact NE2-O 3.12Å; T84-G86 PolarHBondContact O-N 3.17Å
87L90.4Very high94Very high45 Ų4559.9 Ų59.924%0.23630%0.302CS..  trans-136.9136177.1-71.2178.2000108.8F38 V40 Q83 V92F38-L87 HydrophobicContact CE1-CD1 4.22Å; V40-L87 HydrophobicContact CG2-CD1 3.62Å; V40-L87 HydrophobicContact CG2-CG 4.26Å; Q83-L87 HydrophobicContact CG-CD1 4.48Å; Q83-L87 HydrophobicContact CG-CD2 3.92Å; Q83-L87 HydrophobicContact CG-CG 3.92Å; L87-V92 HydrophobicContact CB-CG2 3.7Å
88P92.8Very high94.2Very high77 Ų7761.1 Ų61.150%0.532%0.319SS..  trans-49.3142.7165.4-27.930.9000111.8K90 Y91 V92P88-K90 HydrophobicContact CB-CG 4.35Å; P88-K90 PolarHBondContact O-N 2.98Å; P88-Y91 HydrophobicContact CB-CD2 3.8Å; P88-Y91 HydrophobicContact CB-CE2 4.24Å; P88-Y91 HydrophobicContact CG-CD2 3.76Å; P88-Y91 HydrophobicContact CG-CE2 3.98Å; P88-Y91 PolarHBondContact O-N 3.07Å; P88-V92 PolarHBondContact O-N 3.36Å
89R92Very high94.3Very high127 Ų12755 Ų5548%0.47929%0.293SS..Hα-helixtrans-49.7-40.1-173.6-174.264.5169.792.6-3.9113.5Y91 V92 V93 E117R89-Y91 VanDerWaalsContact C-N 3.29Å; R89-Y91 PolarHBondContact O-N 3.39Å; R89-V92 WeakPolarHBondContact O-CB 3.3Å; R89-V92 PolarHBondContact O-N 3.45Å; R89-V93 WeakPolarHBondContact O-CG2 3.2Å; R89-V93 PolarHBondContact O-N 3.24Å; R89-E117 IonicContact CZ-OE1 3.04Å; R89-E117 IonicContact CZ-OE2 3.86Å; R89-E117 IonicContact NE-OE1 2.7Å; R89-E117 IonicContact NH2-OE1 3.83Å; R89-E117 PolarHBondContact NH2-OE1 3.08Å; R89-E117 IonicContact NH2-OE2 2.97Å
90K95.4Very high94.3Very high141 Ų14158.7 Ų58.761%0.61331%0.312SS*.Hα-helixtrans-57.5-37.2177.567.3-180-1761750113.5P88 A94P88-K90 HydrophobicContact CB-CG 4.35Å; P88-K90 PolarHBondContact O-N 2.98Å; K90-A94 PolarHBondContact O-N 2.6Å
91Y95.4Very high94.3Very high118 Ų11858.7 Ų58.746%0.46331%0.312SS..Hα-helixtrans-78.2-34.1178.3-62.8-56.3000111.3P88 R89 V93 A94 H95P88-Y91 HydrophobicContact CB-CD2 3.8Å; P88-Y91 HydrophobicContact CB-CE2 4.24Å; P88-Y91 HydrophobicContact CG-CD2 3.76Å; P88-Y91 HydrophobicContact CG-CE2 3.98Å; P88-Y91 PolarHBondContact O-N 3.07Å; R89-Y91 VanDerWaalsContact C-N 3.29Å; R89-Y91 PolarHBondContact O-N 3.39Å; Y91-V93 VanDerWaalsContact C-N 3.34Å; Y91-A94 WeakPolarHBondContact O-CB 3.44Å; Y91-A94 PolarHBondContact O-N 3.09Å; Y91-H95 PolarHBondContact O-CD2 3.38Å; Y91-H95 PolarHBondContact O-N 2.98Å
92V95Very high94.4Very high18 Ų1856.3 Ų56.311%0.10930%0.298CS..Hα-helixtrans-60.9-44.3171-179.90000110.8F8 L87 P88 R89 A94 H95 Y96F8-V92 HydrophobicContact CE1-CG1 4.45Å; L87-V92 HydrophobicContact CB-CG2 3.7Å; P88-V92 PolarHBondContact O-N 3.36Å; R89-V92 WeakPolarHBondContact O-CB 3.3Å; R89-V92 PolarHBondContact O-N 3.45Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.02Å; V92-H95 PolarHBondContact O-N 3.31Å; V92-Y96 HydrophobicContact CG1-CD1 4.46Å; V92-Y96 HydrophobicContact CG1-CD2 4.37Å; V92-Y96 HydrophobicContact CG1-CE1 3.81Å; V92-Y96 HydrophobicContact CG1-CE2 3.7Å; V92-Y96 WeakPolarHBondContact CG1-OH 3.06Å; V92-Y96 PolarHBondContact O-N 3.49Å
93V95.9Very high94.6Very high44 Ų4454.4 Ų54.427%0.26729%0.288SS..Hα-helixtrans-59.6-43.9172.9177.90000111.4R89 Y91 H95 Y96 L97R89-V93 WeakPolarHBondContact O-CG2 3.2Å; R89-V93 PolarHBondContact O-N 3.24Å; Y91-V93 VanDerWaalsContact C-N 3.34Å; V93-H95 VanDerWaalsContact C-N 3.27Å; V93-H95 PolarHBondContact O-N 3.48Å; V93-Y96 WeakPolarHBondContact O-CB 3.48Å; V93-Y96 PolarHBondContact O-N 3.46Å; V93-Y96 VanDerWaalsContact O-N 3.09Å; V93-L97 HydrophobicContact CG1-CD1 3.95Å; V93-L97 HydrophobicContact CG1-CG 4.31Å; V93-L97 WeakPolarHBondContact O-CG 3.27Å; V93-L97 PolarHBondContact O-N 3Å
94A97.3Very high94.7Very high48 Ų4851.8 Ų51.840%0.39728%0.275SS..Hα-helixtrans-59.4-40.2178.300000111.8K90 Y91 V92 L97 A98K90-A94 PolarHBondContact O-N 2.6Å; Y91-A94 WeakPolarHBondContact O-CB 3.44Å; Y91-A94 PolarHBondContact O-N 3.09Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.02Å; A94-L97 PolarHBondContact O-N 3.41Å; A94-A98 WeakPolarHBondContact O-CB 3.36Å; A94-A98 PolarHBondContact O-N 3.26Å
95H97.3Very high95Very high42 Ų4249.9 Ų49.919%0.19426%0.264CS..Hα-helixtrans-68.3-36.8173.4-70.6-65.4000113Y6 F8 F38 Y91 V92 V93 L97 A98 M99Y6-H95 AromaticContact CZ-ND1 3.7Å; Y6-H95 PolarHBondContact OH-ND1 3.15Å; F8-H95 HydrophobicContact CD1-CB 4.04Å; F8-H95 HydrophobicContact CD2-CB 3.76Å; F8-H95 HydrophobicContact CE1-CB 3.79Å; F8-H95 HydrophobicContact CE2-CB 3.47Å; F8-H95 VanDerWaalsContact CE2-CB 3.47Å; F8-H95 AromaticContact CE2-CG 3.73Å; F8-H95 HydrophobicContact CG-CB 4.03Å; F8-H95 HydrophobicContact CZ-CB 3.5Å; F8-H95 VanDerWaalsContact CZ-CB 3.5Å; F38-H95 AromaticContact CE1-NE2 3.95Å; F38-H95 AromaticContact CE2-CE1 3.98Å; F38-H95 AromaticContact CZ-CE1 3.84Å; F38-H95 AromaticContact CZ-NE2 3.81Å; Y91-H95 PolarHBondContact O-CD2 3.38Å; Y91-H95 PolarHBondContact O-N 2.98Å; V92-H95 PolarHBondContact O-N 3.31Å; V93-H95 VanDerWaalsContact C-N 3.27Å; V93-H95 PolarHBondContact O-N 3.48Å; H95-L97 VanDerWaalsContact C-N 3.32Å; H95-L97 PolarHBondContact O-N 3.22Å; H95-A98 PolarHBondContact O-N 3.25Å; H95-M99 WeakPolarHBondContact O-CB 3.33Å; H95-M99 PolarHBondContact O-N 3.42Å
96Y97.1Very high95.3Very high3 Ų343.9 Ų43.91%0.01223%0.232CC..Hα-helixtrans-59.8-43.4172.2-61.7-29.4000111.8F8 V92 V93 A98 M99 V114 E117 M118 C121 N122F8-Y96 AromaticContact CD1-CD1 3.69Å; F8-Y96 HydrophobicContact CD1-CD1 3.69Å; F8-Y96 AromaticContact CD1-CE1 3.95Å; F8-Y96 HydrophobicContact CD1-CE1 3.95Å; F8-Y96 AromaticContact CE1-CD1 3.49Å; F8-Y96 HydrophobicContact CE1-CD1 3.49Å; F8-Y96 VanDerWaalsContact CE1-CD1 3.49Å; F8-Y96 AromaticContact CE1-CE1 3.44Å; F8-Y96 HydrophobicContact CE1-CE1 3.44Å; F8-Y96 VanDerWaalsContact CE1-CE1 3.44Å; V92-Y96 HydrophobicContact CG1-CD1 4.46Å; V92-Y96 HydrophobicContact CG1-CD2 4.37Å; V92-Y96 HydrophobicContact CG1-CE1 3.81Å; V92-Y96 HydrophobicContact CG1-CE2 3.7Å; V92-Y96 WeakPolarHBondContact CG1-OH 3.06Å; V92-Y96 PolarHBondContact O-N 3.49Å; V93-Y96 WeakPolarHBondContact O-CB 3.48Å; V93-Y96 PolarHBondContact O-N 3.46Å; V93-Y96 VanDerWaalsContact O-N 3.09Å; Y96-A98 VanDerWaalsContact C-N 3.28Å; Y96-A98 PolarHBondContact O-N 2.61Å; Y96-M99 HydrophobicContact CD1-SD 4.4Å; Y96-M99 WeakPolarHBondContact O-CE 3.38Å; Y96-M99 WeakPolarHBondContact O-CG 3.3Å; Y96-V114 HydrophobicContact CE1-CG1 4.4Å; Y96-E117 HydrophobicContact CD2-CB 4.33Å; Y96-E117 HydrophobicContact CE2-CB 3.63Å; Y96-E117 WeakPolarHBondContact CE2-OE2 3.44Å; Y96-E117 PolarHBondContact OH-OE2 3.23Å; Y96-M118 HydrophobicContact CD1-CB 4.49Å; Y96-M118 HydrophobicContact CD1-CE 4.37Å; Y96-M118 HydrophobicContact CD1-CG 3.53Å; Y96-M118 HydrophobicContact CE1-CE 4Å; Y96-M118 HydrophobicContact CE1-CG 3.54Å; Y96-M118 HydrophobicContact CG-CG 4.33Å; Y96-C121 HydrophobicContact CD2-CB 4.31Å; Y96-C121 HydrophobicContact CG-CB 4.46Å; Y96-N122 WeakPolarHBondContact O-CB 3.35Å; Y96-N122 PolarHBondContact O-ND2 3.49Å
97L97Very high95.5Very high103 Ų10347.1 Ų47.154%0.53925%0.246SC..Hα-helixtrans-68.1-27.4178.6-69.7169.4000113.3V93 A94 H95 C121 N122V93-L97 HydrophobicContact CG1-CD1 3.95Å; V93-L97 HydrophobicContact CG1-CG 4.31Å; V93-L97 WeakPolarHBondContact O-CG 3.27Å; V93-L97 PolarHBondContact O-N 3Å; A94-L97 PolarHBondContact O-N 3.41Å; H95-L97 VanDerWaalsContact C-N 3.32Å; H95-L97 PolarHBondContact O-N 3.22Å; L97-C121 HydrophobicContact CD2-CB 4.36Å; L97-C121 WeakPolarHBondContact CD2-O 3.42Å; L97-N122 PolarHBondContact O-ND2 2.82Å
98A96.9Very high95.5Very high58 Ų5853.4 Ų53.448%0.47927%0.271SS..Hα-helixtrans-94.1-19.7-176.900000114Y6 A94 H95 Y96Y6-A98 HydrophobicContact CD1-CB 4.27Å; Y6-A98 WeakPolarHBondContact CD1-O 3.3Å; Y6-A98 HydrophobicContact CE1-CB 4.19Å; A94-A98 WeakPolarHBondContact O-CB 3.36Å; A94-A98 PolarHBondContact O-N 3.26Å; H95-A98 PolarHBondContact O-N 3.25Å; Y96-A98 VanDerWaalsContact C-N 3.28Å; Y96-A98 PolarHBondContact O-N 2.61Å
99M97Very high95.3Very high3 Ų352.5 Ų52.52%0.01526%0.262CS..  trans-65140.4-175.877.4-163.3174.700112.1Y6 F8 H95 Y96 M118 N122 A125Y6-M99 VanDerWaalsContact CD1-CA 3.4Å; Y6-M99 HydrophobicContact CD1-CB 4.1Å; Y6-M99 HydrophobicContact CE1-CB 4.1Å; F8-M99 HydrophobicContact CB-CB 3.68Å; F8-M99 HydrophobicContact CB-SD 4.25Å; F8-M99 HydrophobicContact CD1-SD 4.33Å; H95-M99 WeakPolarHBondContact O-CB 3.33Å; H95-M99 PolarHBondContact O-N 3.42Å; Y96-M99 HydrophobicContact CD1-SD 4.4Å; Y96-M99 WeakPolarHBondContact O-CE 3.38Å; Y96-M99 WeakPolarHBondContact O-CG 3.3Å; M99-M118 HydrophobicContact CE-CB 3.42Å; M99-M118 VanDerWaalsContact CE-CB 3.42Å; M99-M118 HydrophobicContact CE-CG 3.74Å; M99-M118 WeakPolarHBondContact CE-O 3.5Å; M99-M118 HydrophobicContact SD-CB 4.2Å; M99-M118 HydrophobicContact SD-CE 4.42Å; M99-M118 HydrophobicContact SD-CG 3.81Å; M99-M118 HydrophobicContact SD-SD 4.3Å; M99-N122 HydrophobicContact CE-CB 4.21Å; M99-N122 PolarHBondContact O-ND2 3.34Å; M99-A125 HydrophobicContact CE-CB 3.76Å; M99-A125 HydrophobicContact CG-CB 3.86Å; M99-A125 WeakPolarHBondContact O-CB 3.11Å
100D97.2Very high95.1Very high76 Ų7649.9 Ų49.941%0.40628%0.275SS..SBendtrans-88.6-33167.4-56.1-65.8000110Y6 A125 S126Y6-D100 WeakPolarHBondContact CB-OD2 3.39Å; Y6-D100 PolarHBondContact N-OD2 2.96Å; Y6-D100 PolarHBondContact O-N 3Å; D100-A125 CarbonylContact O-C 3.56Å; D100-A125 WeakPolarHBondContact O-CA 3.36Å; D100-S126 PolarHBondContact O-N 2.83Å
101V97.9Very high94.9Very high2 Ų244.8 Ų44.81%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-136.6120.9179.2-173.20000110.9Y6 F7 F8 V103 S126 I128 A171Y6-V101 PolarHBondContact O-N 3.09Å; F7-V101 CarbonylContact C-O 3.53Å; F7-V101 VanDerWaalsContact CA-O 3.3Å; F7-V101 WeakPolarHBondContact CA-O 3.42Å; F7-V101 HydrophobicContact CD1-CB 3.46Å; F7-V101 VanDerWaalsContact CD1-CB 3.46Å; F7-V101 HydrophobicContact CD1-CG1 3.62Å; F7-V101 HydrophobicContact CD1-CG2 3.99Å; F7-V101 HydrophobicContact CE1-CB 3.69Å; F7-V101 HydrophobicContact CE1-CG1 3.75Å; F7-V101 HydrophobicContact CE1-CG2 3.7Å; F7-V101 HydrophobicContact CG-CB 4.23Å; F7-V101 HydrophobicContact CZ-CG2 4.27Å; F8-V101 PolarHBondContact N-O 3.38Å; V101-V103 HydrophobicContact CG1-CG2 4.33Å; V101-S126 CarbonylContact C-O 3.58Å; V101-S126 WeakPolarHBondContact CA-O 3.46Å; V101-I128 HydrophobicContact CG1-CD1 4Å; V101-I128 HydrophobicContact CG1-CG1 3.91Å; V101-A171 HydrophobicContact CG1-CB 3.82Å; V101-A171 HydrophobicContact CG2-CB 4.09Å
102G97.7Very high94.7Very high0 Ų039.7 Ų39.70%023%0.234CC..EExtended strand (participates in β ladder)trans-81.5135.7167.700000111.2S126 L127 I128G102-S126 PolarHBondContact N-O 2.99Å; G102-L127 WeakPolarHBondContact O-CA 3.34Å; G102-I128 PolarHBondContact O-N 3.5Å
103V97.7Very high94.6Very high0 Ų044.1 Ų44.10%026%0.257CS..EExtended strand (participates in β ladder)trans-122.9111.7-178.9-173.20000110.7F7 F8 S9 K17 V101 T105 I128 F168F7-V103 HydrophobicContact CB-CG2 4.12Å; F7-V103 HydrophobicContact CD1-CG2 3.93Å; F8-V103 PolarHBondContact O-N 3.06Å; S9-V103 WeakPolarHBondContact CB-O 3.44Å; S9-V103 PolarHBondContact OG-O 3.13Å; K17-V103 HydrophobicContact CD-CG1 4.07Å; K17-V103 HydrophobicContact CG-CG1 4.37Å; V101-V103 HydrophobicContact CG1-CG2 4.33Å; V103-T105 HydrophobicContact CG1-CG2 4.26Å; V103-I128 HydrophobicContact CG1-CB 4.46Å; V103-I128 HydrophobicContact CG2-CD1 4.35Å; V103-F168 HydrophobicContact CG1-CE1 4.16Å; V103-F168 HydrophobicContact CG1-CZ 4.1Å; V103-F168 HydrophobicContact CG2-CE1 3.95Å
104V96.6Very high94.6Very high0 Ų043.4 Ų43.40%025%0.252CS..EExtended strand (participates in β ladder)trans-129.795.7-176.7-179.60000110.2P106 N112 V114 A115 M118 L127 I128 L129 S130V104-P106 WeakPolarHBondContact O-CD 3.42Å; V104-N112 HydrophobicContact CG1-CB 4.17Å; V104-N112 WeakPolarHBondContact CG1-OD1 3.49Å; V104-V114 HydrophobicContact CG2-CG1 4.27Å; V104-A115 HydrophobicContact CB-CB 4.31Å; V104-A115 HydrophobicContact CG1-CB 4.19Å; V104-A115 HydrophobicContact CG2-CB 4Å; V104-M118 HydrophobicContact CG2-CE 4.32Å; V104-M118 HydrophobicContact CG2-SD 3.74Å; V104-L127 HydrophobicContact CG2-CD1 4.39Å; V104-I128 PolarHBondContact N-O 2.83Å; V104-L129 HydrophobicContact CB-CD1 3.82Å; V104-L129 HydrophobicContact CG1-CD1 3.82Å; V104-L129 CarbonylContact O-C 3.57Å; V104-L129 WeakPolarHBondContact O-CA 3.43Å; V104-S130 PolarHBondContact O-N 2.86Å
105T95.6Very high94.5Very high0 Ų041.1 Ų41.10%023%0.233CC..  trans-126.362-174.357.70000114.1K17 V103 I128 V155 I158 F164K17-T105 WeakPolarHBondContact CE-OG1 3.43Å; V103-T105 HydrophobicContact CG1-CG2 4.26Å; T105-I128 HydrophobicContact CG2-CG2 4.3Å; T105-V155 HydrophobicContact CG2-CB 4.47Å; T105-V155 HydrophobicContact CG2-CG2 3.93Å; T105-I158 WeakPolarHBondContact O-CD1 3.46Å; T105-F164 HydrophobicContact CG2-CE1 4.32Å; T105-F164 HydrophobicContact CG2-CE2 3.97Å; T105-F164 HydrophobicContact CG2-CZ 3.51Å
106P93.2Very high94.4Very high4 Ų440.6 Ų40.63%0.02623%0.23CC..  trans-72.1144.2169.231.9-34.3000111.1V104 D109 S130 A133V104-P106 WeakPolarHBondContact O-CD 3.42Å; P106-D109 HydrophobicContact CB-CB 3.69Å; P106-D109 HydrophobicContact CG-CB 3.62Å; P106-S130 PolarHBondContact O-OG 2.87Å; P106-A133 HydrophobicContact CG-CB 3.81Å
107I90.6Very high94.4Very high81 Ų8143.2 Ų43.242%0.41524%0.243SC..SBendtrans-61.9-47.3171-59.6173.7000110.7G132 I158I107-G132 WeakPolarHBondContact O-CA 3.43Å; I107-I158 HydrophobicContact CG1-CD1 4.43Å; I107-I158 HydrophobicContact CG1-CG2 4.3Å
108K89.5Confident94.4Very high176 Ų17638.3 Ų38.377%0.76522%0.217SC*.SBendtrans-147.4126.1173.8-70-63.4176.7-172.20108.6G132K108-G132 CarbonylContact C-O 3.56Å; K108-G132 WeakPolarHBondContact CA-O 3.42Å
109D89.9Confident94.3Very high58 Ų5835.7 Ų35.731%0.3120%0.195SC..BIsolated β-bridgetrans-146.2131.1174.7-172-33.6000108.4P106 M111 N112 G132 G134P106-D109 HydrophobicContact CB-CB 3.69Å; P106-D109 HydrophobicContact CG-CB 3.62Å; D109-M111 PolarHBondContact O-N 3.27Å; D109-M111 PolarHBondContact OD1-N 3.48Å; D109-M111 VanDerWaalsContact OD1-N 3.09Å; D109-N112 HydrophobicContact CB-CB 4.25Å; D109-N112 PolarHBondContact OD1-N 2.76Å; D109-N112 WeakPolarHBondContact OD2-CA 3.15Å; D109-N112 WeakPolarHBondContact OD2-CB 3.19Å; D109-N112 PolarHBondContact OD2-ND2 3Å; D109-G132 PolarHBondContact N-O 3.37Å; D109-G134 PolarHBondContact O-N 3.22Å
110G87.3Confident94.3Very high72 Ų7239.3 Ų39.374%0.74221%0.214SC*.SBendtrans-61.7-25.2-175.500000114G134G110-G134 WeakPolarHBondContact O-CA 3.42Å
111M90.2Very high94.2Very high35 Ų3537.4 Ų37.417%0.17221%0.206CC..  trans-152.2-44.4175.6-171.158.758.800112.1D109 L113 T135 V241D109-M111 PolarHBondContact O-N 3.27Å; D109-M111 PolarHBondContact OD1-N 3.48Å; D109-M111 VanDerWaalsContact OD1-N 3.09Å; M111-L113 HydrophobicContact CG-CD2 3.89Å; M111-T135 WeakPolarHBondContact O-CA 3.43Å; M111-T135 WeakPolarHBondContact O-CB 3.16Å; M111-T135 PolarHBondContact O-N 2.81Å; M111-T135 PolarHBondContact O-OG1 2.96Å; M111-V241 HydrophobicContact CE-CG1 3.81Å
112N92Very high94.2Very high10 Ų1038.4 Ų38.45%0.05321%0.211CC..  trans56.391.2-165.6-158.8-76.1000113.7V104 D109 V114 A115 A133 T135V104-N112 HydrophobicContact CG1-CB 4.17Å; V104-N112 WeakPolarHBondContact CG1-OD1 3.49Å; D109-N112 HydrophobicContact CB-CB 4.25Å; D109-N112 PolarHBondContact OD1-N 2.76Å; D109-N112 WeakPolarHBondContact OD2-CA 3.15Å; D109-N112 WeakPolarHBondContact OD2-CB 3.19Å; D109-N112 PolarHBondContact OD2-ND2 3Å; N112-V114 VanDerWaalsContact C-N 3.29Å; N112-V114 PolarHBondContact O-N 3.46Å; N112-V114 WeakPolarHBondContact OD1-CB 3.25Å; N112-V114 PolarHBondContact OD1-N 3.07Å; N112-A115 PolarHBondContact OD1-N 2.96Å; N112-A133 HydrophobicContact CB-CB 4.17Å; N112-T135 PolarHBondContact O-OG1 3.24Å
113L93.9Very high94.1Very high112 Ų11240.3 Ų40.359%0.58622%0.224SC*.Hα-helixtrans-72.1-22.4179.9-59.9-179.3000113.2M111 A115 K116 E117M111-L113 HydrophobicContact CG-CD2 3.89Å; L113-A115 VanDerWaalsContact C-N 3.3Å; L113-A115 PolarHBondContact O-N 3.42Å; L113-K116 HydrophobicContact CD2-CD 4.42Å; L113-K116 WeakPolarHBondContact O-CB 3.11Å; L113-K116 PolarHBondContact O-N 2.96Å; L113-E117 WeakPolarHBondContact O-CG 3.42Å; L113-E117 PolarHBondContact O-N 2.94Å
114V94.4Very high94.1Very high28 Ų2843 Ų4317%0.1724%0.242CC..Hα-helixtrans-57.9-43.2179167.80000111S10 Y96 V104 N112 K116 E117 M118S10-V114 WeakPolarHBondContact OG-CG1 3.36Å; Y96-V114 HydrophobicContact CE1-CG1 4.4Å; V104-V114 HydrophobicContact CG2-CG1 4.27Å; N112-V114 VanDerWaalsContact C-N 3.29Å; N112-V114 PolarHBondContact O-N 3.46Å; N112-V114 WeakPolarHBondContact OD1-CB 3.25Å; N112-V114 PolarHBondContact OD1-N 3.07Å; V114-K116 PolarHBondContact O-N 2.92Å; V114-E117 PolarHBondContact O-N 3.09Å; V114-M118 HydrophobicContact CG1-CE 3.72Å; V114-M118 HydrophobicContact CG1-CG 4.37Å; V114-M118 HydrophobicContact CG1-SD 3.99Å; V114-M118 WeakPolarHBondContact O-CB 3.38Å; V114-M118 VanDerWaalsContact O-CG 3.3Å; V114-M118 WeakPolarHBondContact O-CG 3.18Å; V114-M118 PolarHBondContact O-N 3.16Å
115A95.7Very high94.1Very high0 Ų043.1 Ų43.10%024%0.243CC..Hα-helixtrans-56.5-39.5175.500000112.5V104 N112 L113 L119 L129 T135V104-A115 HydrophobicContact CB-CB 4.31Å; V104-A115 HydrophobicContact CG1-CB 4.19Å; V104-A115 HydrophobicContact CG2-CB 4Å; N112-A115 PolarHBondContact OD1-N 2.96Å; L113-A115 VanDerWaalsContact C-N 3.3Å; L113-A115 PolarHBondContact O-N 3.42Å; A115-L119 PolarHBondContact O-N 3.32Å; A115-L129 HydrophobicContact CB-CD1 3.97Å; A115-T135 HydrophobicContact CB-CG2 4.03Å
116K95.8Very high94.1Very high31 Ų3143.5 Ų43.514%0.13525%0.246CC..Hα-helixtrans-72.3-44178.6-58-172.6170.2-169.80111.7L113 V114 M118 L119 I120 T135 L190L113-K116 HydrophobicContact CD2-CD 4.42Å; L113-K116 WeakPolarHBondContact O-CB 3.11Å; L113-K116 PolarHBondContact O-N 2.96Å; V114-K116 PolarHBondContact O-N 2.92Å; K116-M118 VanDerWaalsContact C-N 3.29Å; K116-M118 PolarHBondContact O-N 3.08Å; K116-L119 PolarHBondContact O-N 3.4Å; K116-I120 WeakPolarHBondContact O-CB 3.36Å; K116-I120 VanDerWaalsContact O-CG1 3.24Å; K116-I120 WeakPolarHBondContact O-CG1 3.32Å; K116-I120 PolarHBondContact O-N 3.36Å; K116-T135 WeakPolarHBondContact CE-OG1 3.49Å; K116-T135 HydrophobicContact CG-CG2 4.05Å; K116-L190 HydrophobicContact CB-CD1 4.3Å; K116-L190 HydrophobicContact CB-CD2 4.07Å; K116-L190 HydrophobicContact CD-CD2 3.77Å; K116-L190 HydrophobicContact CG-CD2 3.73Å
117E96.1Very high94.4Very high58 Ų5843.4 Ų43.427%0.27125%0.246SC..Hα-helixtrans-58.9-42.2176.4-66.8-177.115300111.9R89 Y96 L113 V114 I120 C121R89-E117 IonicContact CZ-OE1 3.04Å; R89-E117 IonicContact CZ-OE2 3.86Å; R89-E117 IonicContact NE-OE1 2.7Å; R89-E117 IonicContact NH2-OE1 3.83Å; R89-E117 PolarHBondContact NH2-OE1 3.08Å; R89-E117 IonicContact NH2-OE2 2.97Å; Y96-E117 HydrophobicContact CD2-CB 4.33Å; Y96-E117 HydrophobicContact CE2-CB 3.63Å; Y96-E117 WeakPolarHBondContact CE2-OE2 3.44Å; Y96-E117 PolarHBondContact OH-OE2 3.23Å; L113-E117 WeakPolarHBondContact O-CG 3.42Å; L113-E117 PolarHBondContact O-N 2.94Å; V114-E117 PolarHBondContact O-N 3.09Å; E117-I120 PolarHBondContact O-N 2.99Å; E117-C121 WeakPolarHBondContact O-CB 3.49Å; E117-C121 PolarHBondContact O-N 3.04Å; E117-C121 PolarHBondContact O-SG 3.23Å; E117-C121 VanDerWaalsContact O-SG 3.36Å
118M96.6Very high94.7Very high0 Ų039.6 Ų39.60%023%0.226CC..Hα-helixtrans-54.5-55.1175.6-81.3173.4169.800111.4F8 Y96 M99 V104 V114 K116 C121 N122 L127F8-M118 HydrophobicContact CD1-CE 3.71Å; F8-M118 HydrophobicContact CE1-CE 4.27Å; F8-M118 WeakPolarHBondContact O-CE 3.39Å; Y96-M118 HydrophobicContact CD1-CB 4.49Å; Y96-M118 HydrophobicContact CD1-CE 4.37Å; Y96-M118 HydrophobicContact CD1-CG 3.53Å; Y96-M118 HydrophobicContact CE1-CE 4Å; Y96-M118 HydrophobicContact CE1-CG 3.54Å; Y96-M118 HydrophobicContact CG-CG 4.33Å; M99-M118 HydrophobicContact CE-CB 3.42Å; M99-M118 VanDerWaalsContact CE-CB 3.42Å; M99-M118 HydrophobicContact CE-CG 3.74Å; M99-M118 WeakPolarHBondContact CE-O 3.5Å; M99-M118 HydrophobicContact SD-CB 4.2Å; M99-M118 HydrophobicContact SD-CE 4.42Å; M99-M118 HydrophobicContact SD-CG 3.81Å; M99-M118 HydrophobicContact SD-SD 4.3Å; V104-M118 HydrophobicContact CG2-CE 4.32Å; V104-M118 HydrophobicContact CG2-SD 3.74Å; V114-M118 HydrophobicContact CG1-CE 3.72Å; V114-M118 HydrophobicContact CG1-CG 4.37Å; V114-M118 HydrophobicContact CG1-SD 3.99Å; V114-M118 WeakPolarHBondContact O-CB 3.38Å; V114-M118 VanDerWaalsContact O-CG 3.3Å; V114-M118 WeakPolarHBondContact O-CG 3.18Å; V114-M118 PolarHBondContact O-N 3.16Å; K116-M118 VanDerWaalsContact C-N 3.29Å; K116-M118 PolarHBondContact O-N 3.08Å; M118-C121 PolarHBondContact O-N 3.08Å; M118-N122 PolarHBondContact O-N 3.02Å; M118-L127 HydrophobicContact SD-CD1 4.42Å
119L95.5Very high95.1Very high3 Ų331.2 Ų31.22%0.01619%0.189CC..Hα-helixtrans-69.8-31.9-178.2-68.4173.4000113.5A115 K116 N122 L127 F139 L186 L190A115-L119 PolarHBondContact O-N 3.32Å; K116-L119 PolarHBondContact O-N 3.4Å; L119-N122 CarbonylContact O-C 3.31Å; L119-L127 HydrophobicContact CD1-CD2 3.89Å; L119-L127 HydrophobicContact CD2-CB 4.42Å; L119-L127 HydrophobicContact CG-CD2 4.34Å; L119-F139 HydrophobicContact CD1-CE2 3.69Å; L119-F139 HydrophobicContact CD1-CZ 3.79Å; L119-L186 HydrophobicContact CD1-CB 4.04Å; L119-L186 HydrophobicContact CD1-CD1 3.89Å; L119-L186 HydrophobicContact CD2-CD1 4.36Å; L119-L190 HydrophobicContact CB-CD1 3.8Å; L119-L190 HydrophobicContact CD1-CD1 4.16Å
120I96.1Very high95.4Very high79 Ų7928.6 Ų28.641%0.40518%0.176SC..Hα-helixtrans-67.3-43.5174-70.5166.2000110.6K116 E117 L190K116-I120 WeakPolarHBondContact O-CB 3.36Å; K116-I120 VanDerWaalsContact O-CG1 3.24Å; K116-I120 WeakPolarHBondContact O-CG1 3.32Å; K116-I120 PolarHBondContact O-N 3.36Å; E117-I120 PolarHBondContact O-N 2.99Å; I120-L190 HydrophobicContact CD1-CB 4.46Å; I120-L190 HydrophobicContact CG1-CB 4.24Å; I120-L190 HydrophobicContact CG1-CD1 4.06Å
121C96.4Very high95.8Very high37 Ų3726.8 Ų26.825%0.2515%0.152CC..Hα-helixtrans-71.9-41.4178.9-72.10000112Y96 L97 E117 M118Y96-C121 HydrophobicContact CD2-CB 4.31Å; Y96-C121 HydrophobicContact CG-CB 4.46Å; L97-C121 HydrophobicContact CD2-CB 4.36Å; L97-C121 WeakPolarHBondContact CD2-O 3.42Å; E117-C121 WeakPolarHBondContact O-CB 3.49Å; E117-C121 PolarHBondContact O-N 3.04Å; E117-C121 PolarHBondContact O-SG 3.23Å; E117-C121 VanDerWaalsContact O-SG 3.36Å; M118-C121 PolarHBondContact O-N 3.08Å
122N97.2Very high95.9Very high22 Ų2225.5 Ų25.512%0.11815%0.148CC..  trans-139.289.1-175.5-173.54000111.2Y96 L97 M99 M118 L119 S124 A125Y96-N122 WeakPolarHBondContact O-CB 3.35Å; Y96-N122 PolarHBondContact O-ND2 3.49Å; L97-N122 PolarHBondContact O-ND2 2.82Å; M99-N122 HydrophobicContact CE-CB 4.21Å; M99-N122 PolarHBondContact O-ND2 3.34Å; M118-N122 PolarHBondContact O-N 3.02Å; L119-N122 CarbonylContact O-C 3.31Å; N122-S124 PolarHBondContact O-N 2.84Å; N122-S124 WeakPolarHBondContact OD1-CB 3.36Å; N122-S124 PolarHBondContact OD1-N 3.29Å; N122-S124 VanDerWaalsContact OD1-N 3.08Å; N122-A125 HydrophobicContact CB-CB 4.41Å; N122-A125 PolarHBondContact O-N 2.83Å; N122-A125 PolarHBondContact OD1-N 2.91Å
123P96.2Very high96Very high40 Ų4025 Ų2526%0.2615%0.145SC..THydrogen-bonded Turntrans-73.9-0.9174.832.6-36.9000113.1G183 H187P123-G183 CarbonylContact O-C 3.55Å; P123-G183 VanDerWaalsContact O-CA 3.23Å; P123-G183 WeakPolarHBondContact O-CA 3.03Å; P123-H187 HydrophobicContact CB-CB 3.89Å
124S96.6Very high95.9Very high56 Ų5620.1 Ų20.139%0.39212%0.121SC..THydrogen-bonded Turntrans-97.25.8175.4-58.40000112.7N122 V179N122-S124 PolarHBondContact O-N 2.84Å; N122-S124 WeakPolarHBondContact OD1-CB 3.36Å; N122-S124 PolarHBondContact OD1-N 3.29Å; N122-S124 VanDerWaalsContact OD1-N 3.08Å; S124-V179 WeakPolarHBondContact O-CG1 3.48Å
125A96.7Very high95.9Very high3 Ų318.8 Ų18.83%0.02511%0.113CC..SBendtrans-98143.7174.300000111.5M99 D100 N122M99-A125 HydrophobicContact CE-CB 3.76Å; M99-A125 HydrophobicContact CG-CB 3.86Å; M99-A125 WeakPolarHBondContact O-CB 3.11Å; D100-A125 CarbonylContact O-C 3.56Å; D100-A125 WeakPolarHBondContact O-CA 3.36Å; N122-A125 HydrophobicContact CB-CB 4.41Å; N122-A125 PolarHBondContact O-N 2.83Å; N122-A125 PolarHBondContact OD1-N 2.91Å
126S97.2Very high95.9Very high8 Ų818.9 Ų18.96%0.05611%0.114CC..EExtended strand (participates in β ladder)trans-73.7162.1169.8-167.20000110.2D100 V101 G102 H153 E174D100-S126 PolarHBondContact O-N 2.83Å; V101-S126 CarbonylContact C-O 3.58Å; V101-S126 WeakPolarHBondContact CA-O 3.46Å; G102-S126 PolarHBondContact N-O 2.99Å; S126-H153 PolarHBondContact OG-CD2 3.03Å; S126-H153 VanDerWaalsContact OG-CD2 3.3Å; S126-H153 PolarHBondContact OG-NE2 2.61Å; S126-E174 PolarHBondContact OG-OE2 3.15Å
127L97.7Very high95.7Very high3 Ų322.3 Ų22.32%0.01613%0.13CC..EExtended strand (participates in β ladder)trans-132.4125.9-178.8-175.871.5000110.6G102 V104 M118 L119 L129 F139 Y152 H153G102-L127 WeakPolarHBondContact O-CA 3.34Å; V104-L127 HydrophobicContact CG2-CD1 4.39Å; M118-L127 HydrophobicContact SD-CD1 4.42Å; L119-L127 HydrophobicContact CD1-CD2 3.89Å; L119-L127 HydrophobicContact CD2-CB 4.42Å; L119-L127 HydrophobicContact CG-CD2 4.34Å; L127-L129 HydrophobicContact CD2-CB 4.1Å; L127-L129 HydrophobicContact CD2-CD2 4.12Å; L127-L129 HydrophobicContact CG-CB 4.18Å; L127-F139 HydrophobicContact CD2-CE2 4.36Å; L127-Y152 WeakPolarHBondContact O-CB 3.45Å; L127-H153 PolarHBondContact O-N 2.83Å
128I98Very high95.5Very high0 Ų019.9 Ų19.90%012%0.119CC..EExtended strand (participates in β ladder)trans-99.2116.3164.6-58.7175.5000107.9F7 V101 G102 V103 V104 T105 H153 V155 F164 F168 A171F7-I128 HydrophobicContact CE1-CD1 4.33Å; V101-I128 HydrophobicContact CG1-CD1 4Å; V101-I128 HydrophobicContact CG1-CG1 3.91Å; G102-I128 PolarHBondContact O-N 3.5Å; V103-I128 HydrophobicContact CG1-CB 4.46Å; V103-I128 HydrophobicContact CG2-CD1 4.35Å; V104-I128 PolarHBondContact N-O 2.83Å; T105-I128 HydrophobicContact CG2-CG2 4.3Å; I128-H153 CarbonylContact C-O 3.57Å; I128-H153 WeakPolarHBondContact CA-O 3.4Å; I128-H153 HydrophobicContact CG1-CB 4.04Å; I128-V155 HydrophobicContact CG2-CG2 3.49Å; I128-V155 VanDerWaalsContact CG2-CG2 3.49Å; I128-F164 HydrophobicContact CG2-CE2 3.99Å; I128-F168 HydrophobicContact CD1-CD1 3.69Å; I128-F168 HydrophobicContact CD1-CE1 4.03Å; I128-F168 HydrophobicContact CD1-CG 4.15Å; I128-A171 HydrophobicContact CD1-CB 3.89Å; I128-A171 HydrophobicContact CG1-CB 3.9Å
129L97.5Very high95.4Very high0 Ų019.9 Ų19.90%012%0.119CC..EExtended strand (participates in β ladder)trans-129.4129.4-171.5-172.863.3000111.3V104 A115 L127 A133 T135 E136 F139 Y152 H153 R154 V155V104-L129 HydrophobicContact CB-CD1 3.82Å; V104-L129 HydrophobicContact CG1-CD1 3.82Å; V104-L129 CarbonylContact O-C 3.57Å; V104-L129 WeakPolarHBondContact O-CA 3.43Å; A115-L129 HydrophobicContact CB-CD1 3.97Å; L127-L129 HydrophobicContact CD2-CB 4.1Å; L127-L129 HydrophobicContact CD2-CD2 4.12Å; L127-L129 HydrophobicContact CG-CB 4.18Å; L129-A133 HydrophobicContact CD1-CB 3.99Å; L129-T135 HydrophobicContact CD2-CG2 4.2Å; L129-E136 HydrophobicContact CD2-CB 3.62Å; L129-E136 HydrophobicContact CD2-CG 4.17Å; L129-E136 HydrophobicContact CG-CB 3.88Å; L129-E136 HydrophobicContact CG-CG 4.37Å; L129-F139 HydrophobicContact CD2-CD2 4.06Å; L129-F139 HydrophobicContact CD2-CE2 4.45Å; L129-Y152 HydrophobicContact CB-CD2 3.9Å; L129-Y152 HydrophobicContact CB-CE2 4.21Å; L129-Y152 HydrophobicContact CD2-CD2 4.33Å; L129-Y152 HydrophobicContact CD2-CE2 4.13Å; L129-H153 PolarHBondContact N-O 3.46Å; L129-R154 CarbonylContact O-C 3.56Å; L129-R154 VanDerWaalsContact O-CA 3.32Å; L129-R154 WeakPolarHBondContact O-CA 3.2Å; L129-V155 PolarHBondContact O-N 3.03Å
130S96.3Very high95.3Very high4 Ų420.8 Ų20.83%0.02813%0.129CC..EExtended strand (participates in β ladder)trans-76.6140.9174.91790000112.4V104 P106 G132 A133 E136 V155V104-S130 PolarHBondContact O-N 2.86Å; P106-S130 PolarHBondContact O-OG 2.87Å; S130-G132 PolarHBondContact O-N 3.3Å; S130-G132 PolarHBondContact OG-N 3.43Å; S130-G132 VanDerWaalsContact OG-N 3.08Å; S130-A133 WeakPolarHBondContact O-CB 3.3Å; S130-A133 PolarHBondContact O-N 3.26Å; S130-E136 WeakPolarHBondContact O-CB 3.49Å; S130-V155 WeakPolarHBondContact CA-O 3.4Å
131S95.3Very high95Very high33 Ų3320 Ų2023%0.23113%0.131CC..THydrogen-bonded Turntrans-54.8-17.6166.466.20000113.4A133 V155 E156S131-A133 VanDerWaalsContact C-N 3.31Å; S131-V155 PolarHBondContact N-O 2.93Å; S131-V155 PolarHBondContact OG-O 3.34Å; S131-E156 PolarHBondContact OG-O 3.34Å
132G92.6Very high94.8Very high9 Ų920 Ų209%0.09313%0.131CC..THydrogen-bonded Turntrans-75.1-11.5174.600000115.2I107 K108 D109 S130I107-G132 WeakPolarHBondContact O-CA 3.43Å; K108-G132 CarbonylContact C-O 3.56Å; K108-G132 WeakPolarHBondContact CA-O 3.42Å; D109-G132 PolarHBondContact N-O 3.37Å; S130-G132 PolarHBondContact O-N 3.3Å; S130-G132 PolarHBondContact OG-N 3.43Å; S130-G132 VanDerWaalsContact OG-N 3.08Å
133A93.6Very high94.6Very high0 Ų020.4 Ų20.40%014%0.14CC..BIsolated β-bridgetrans-92.2135.4179.700000111.9P106 N112 L129 S130 S131 T135 E136 Q137P106-A133 HydrophobicContact CG-CB 3.81Å; N112-A133 HydrophobicContact CB-CB 4.17Å; L129-A133 HydrophobicContact CD1-CB 3.99Å; S130-A133 WeakPolarHBondContact O-CB 3.3Å; S130-A133 PolarHBondContact O-N 3.26Å; S131-A133 VanDerWaalsContact C-N 3.31Å; A133-T135 PolarHBondContact O-N 2.73Å; A133-E136 WeakPolarHBondContact O-CB 3.38Å; A133-E136 PolarHBondContact O-N 3.46Å; A133-Q137 PolarHBondContact O-N 3.25Å
134G92.4Very high94.6Very high8 Ų819.5 Ų19.58%0.08213%0.132CC..Hα-helixtrans-62.1-24.3175.300000114.5D109 G110 E136 Q137 Q138D109-G134 PolarHBondContact O-N 3.22Å; G110-G134 WeakPolarHBondContact O-CA 3.42Å; G134-E136 VanDerWaalsContact C-N 3.32Å; G134-Q137 PolarHBondContact O-N 3.29Å; G134-Q138 PolarHBondContact O-N 3.36Å
135T94.5Very high94.5Very high0 Ų018.4 Ų18.40%012%0.119CC..Hα-helixtrans-64-37.2170.5-67.70000111.2M111 N112 A115 K116 L129 A133 Q138 F139M111-T135 WeakPolarHBondContact O-CA 3.43Å; M111-T135 WeakPolarHBondContact O-CB 3.16Å; M111-T135 PolarHBondContact O-N 2.81Å; M111-T135 PolarHBondContact O-OG1 2.96Å; N112-T135 PolarHBondContact O-OG1 3.24Å; A115-T135 HydrophobicContact CB-CG2 4.03Å; K116-T135 WeakPolarHBondContact CE-OG1 3.49Å; K116-T135 HydrophobicContact CG-CG2 4.05Å; L129-T135 HydrophobicContact CD2-CG2 4.2Å; A133-T135 PolarHBondContact O-N 2.73Å; T135-Q138 PolarHBondContact O-N 3.49Å; T135-F139 HydrophobicContact CG2-CD1 4.45Å; T135-F139 HydrophobicContact CG2-CD2 3.85Å; T135-F139 HydrophobicContact CG2-CE1 4.07Å; T135-F139 HydrophobicContact CG2-CE2 3.41Å; T135-F139 VanDerWaalsContact CG2-CE2 3.41Å; T135-F139 HydrophobicContact CG2-CG 4.35Å; T135-F139 HydrophobicContact CG2-CZ 3.54Å; T135-F139 WeakPolarHBondContact O-CG 3.48Å; T135-F139 PolarHBondContact O-N 2.83Å
136E95.3Very high94.3Very high3 Ų320.7 Ų20.71%0.01413%0.133CC..Hα-helixtrans-64-46.8175.2-170.5-78.3152.300110.1L129 S130 A133 G134 Q138 F139 G140 Y152 R154L129-E136 HydrophobicContact CD2-CB 3.62Å; L129-E136 HydrophobicContact CD2-CG 4.17Å; L129-E136 HydrophobicContact CG-CB 3.88Å; L129-E136 HydrophobicContact CG-CG 4.37Å; S130-E136 WeakPolarHBondContact O-CB 3.49Å; A133-E136 WeakPolarHBondContact O-CB 3.38Å; A133-E136 PolarHBondContact O-N 3.46Å; G134-E136 VanDerWaalsContact C-N 3.32Å; E136-Q138 PolarHBondContact O-N 2.8Å; E136-F139 PolarHBondContact O-N 2.93Å; E136-F139 VanDerWaalsContact O-N 3.13Å; E136-G140 PolarHBondContact O-N 3.41Å; E136-Y152 HydrophobicContact CG-CE2 3.94Å; E136-Y152 WeakPolarHBondContact CG-OH 3.24Å; E136-Y152 PolarHBondContact OE1-OH 2.87Å; E136-R154 HydrophobicContact CG-CG 4.26Å; E136-R154 WeakPolarHBondContact OE1-CD 3.35Å; E136-R154 IonicContact OE1-CZ 3.06Å; E136-R154 IonicContact OE1-NE 3.46Å; E136-R154 IonicContact OE1-NH1 3.54Å; E136-R154 PolarHBondContact OE1-NH1 2.92Å
137Q91.9Very high94Very high102 Ų10227.9 Ų27.948%0.47717%0.171SC..Hα-helixtrans-58.3-37.8177.5-66.1-67.6-66.500111.5A133 G134 S141 V242A133-Q137 PolarHBondContact O-N 3.25Å; G134-Q137 PolarHBondContact O-N 3.29Å; Q137-S141 VanDerWaalsContact O-CB 3.29Å; Q137-S141 WeakPolarHBondContact O-CB 3.37Å; Q137-S141 PolarHBondContact O-N 2.88Å; Q137-S141 PolarHBondContact O-OG 2.87Å; Q137-V242 VanDerWaalsContact C-CG1 3.49Å; Q137-V242 HydrophobicContact CB-CG1 3.65Å; Q137-V242 WeakPolarHBondContact O-CG1 3.36Å
138Q92.3Very high93.7Very high8 Ų833.4 Ų33.44%0.03721%0.21CC..Hα-helixtrans-66.1-50.6174.8173.7173.370.100111.8G134 T135 E136 G140 S141 S142 F189 V241 V242G134-Q138 PolarHBondContact O-N 3.36Å; T135-Q138 PolarHBondContact O-N 3.49Å; E136-Q138 PolarHBondContact O-N 2.8Å; Q138-G140 PolarHBondContact O-N 3.04Å; Q138-S141 PolarHBondContact O-N 2.94Å; Q138-S141 PolarHBondContact O-OG 3.35Å; Q138-S142 WeakPolarHBondContact O-CB 3.43Å; Q138-S142 PolarHBondContact O-N 3.39Å; Q138-S142 PolarHBondContact O-OG 3.19Å; Q138-S142 VanDerWaalsContact O-OG 3.07Å; Q138-F189 HydrophobicContact CG-CE1 3.66Å; Q138-F189 HydrophobicContact CG-CZ 3.7Å; Q138-V241 PolarHBondContact NE2-O 3.1Å; Q138-V241 VanDerWaalsContact NE2-O 3.12Å; Q138-V242 WeakPolarHBondContact CA-O 2.92Å; Q138-V242 VanDerWaalsContact CB-O 3.32Å; Q138-V242 WeakPolarHBondContact CB-O 3.4Å; Q138-V242 VanDerWaalsContact CG-O 3.27Å; Q138-V242 WeakPolarHBondContact CG-O 3.31Å
139F94.9Very high93.4Very high0 Ų039.2 Ų39.20%023%0.232CC..Hα-helixtrans-64.4-42.4-179.7-67.3-15.5000113L119 L127 L129 T135 E136 S142 G143 F144 Y152 L186 F189 L190L119-F139 HydrophobicContact CD1-CE2 3.69Å; L119-F139 HydrophobicContact CD1-CZ 3.79Å; L127-F139 HydrophobicContact CD2-CE2 4.36Å; L129-F139 HydrophobicContact CD2-CD2 4.06Å; L129-F139 HydrophobicContact CD2-CE2 4.45Å; T135-F139 HydrophobicContact CG2-CD1 4.45Å; T135-F139 HydrophobicContact CG2-CD2 3.85Å; T135-F139 HydrophobicContact CG2-CE1 4.07Å; T135-F139 HydrophobicContact CG2-CE2 3.41Å; T135-F139 VanDerWaalsContact CG2-CE2 3.41Å; T135-F139 HydrophobicContact CG2-CG 4.35Å; T135-F139 HydrophobicContact CG2-CZ 3.54Å; T135-F139 WeakPolarHBondContact O-CG 3.48Å; T135-F139 PolarHBondContact O-N 2.83Å; E136-F139 PolarHBondContact O-N 2.93Å; E136-F139 VanDerWaalsContact O-N 3.13Å; F139-S142 PolarHBondContact O-N 3.26Å; F139-G143 PolarHBondContact O-N 2.9Å; F139-F144 HydrophobicContact CB-CB 4.18Å; F139-F144 HydrophobicContact CB-CD2 4.35Å; F139-F144 HydrophobicContact CD1-CD2 4.47Å; F139-F144 WeakPolarHBondContact O-CB 3.2Å; F139-F144 WeakPolarHBondContact O-CD2 3.42Å; F139-F144 PolarHBondContact O-N 3.24Å; F139-Y152 HydrophobicContact CB-CE1 3.65Å; F139-Y152 HydrophobicContact CD2-CD1 4.29Å; F139-Y152 HydrophobicContact CD2-CE1 4.08Å; F139-Y152 HydrophobicContact CG-CE1 4.36Å; F139-L186 HydrophobicContact CD1-CD2 4.07Å; F139-L186 HydrophobicContact CD2-CD2 3.9Å; F139-L186 HydrophobicContact CE1-CD2 4.18Å; F139-L186 HydrophobicContact CE2-CD2 4.01Å; F139-L186 HydrophobicContact CG-CD2 3.93Å; F139-L186 HydrophobicContact CZ-CD2 4.15Å; F139-F189 HydrophobicContact CD1-CD1 4.13Å; F139-F189 AromaticContact CD1-CE1 3.98Å; F139-F189 HydrophobicContact CD1-CE1 3.98Å; F139-F189 AromaticContact CE1-CD1 3.94Å; F139-F189 HydrophobicContact CE1-CD1 3.94Å; F139-F189 HydrophobicContact CE1-CE1 4.02Å; F139-L190 HydrophobicContact CE1-CD2 3.82Å; F139-L190 HydrophobicContact CE1-CG 4.21Å; F139-L190 HydrophobicContact CZ-CD1 4.2Å; F139-L190 HydrophobicContact CZ-CD2 3.98Å; F139-L190 HydrophobicContact CZ-CG 4.22Å
140G92.7Very high93.3Very high22 Ų2246.1 Ų46.123%0.22726%0.258CS..Hα-helixtrans-61.9-47.7176.900000112E136 Q138 S142 G143E136-G140 PolarHBondContact O-N 3.41Å; Q138-G140 PolarHBondContact O-N 3.04Å; G140-S142 VanDerWaalsContact C-N 3.28Å; G140-S142 PolarHBondContact O-N 3.36Å; G140-G143 PolarHBondContact O-N 3.43Å; G140-G143 VanDerWaalsContact O-N 3.07Å
141S89.6Confident93.3Very high63 Ų6346.2 Ų46.244%0.44126%0.259SS..Hα-helixtrans-68.9-24.3178.659.40000114Q137 Q138 G143 V242 K243Q137-S141 VanDerWaalsContact O-CB 3.29Å; Q137-S141 WeakPolarHBondContact O-CB 3.37Å; Q137-S141 PolarHBondContact O-N 2.88Å; Q137-S141 PolarHBondContact O-OG 2.87Å; Q138-S141 PolarHBondContact O-N 2.94Å; Q138-S141 PolarHBondContact O-OG 3.35Å; S141-G143 VanDerWaalsContact C-N 3.32Å; S141-V242 PolarHBondContact OG-O 3.08Å; S141-K243 WeakPolarHBondContact OG-CA 3.43Å
142S92.2Very high93.4Very high36 Ų3644.8 Ų44.825%0.25225%0.248SC..THydrogen-bonded Turntrans-86.24.8171.3-56.60000114.2Q138 F139 G140 F189 K243Q138-S142 WeakPolarHBondContact O-CB 3.43Å; Q138-S142 PolarHBondContact O-N 3.39Å; Q138-S142 PolarHBondContact O-OG 3.19Å; Q138-S142 VanDerWaalsContact O-OG 3.07Å; F139-S142 PolarHBondContact O-N 3.26Å; G140-S142 VanDerWaalsContact C-N 3.28Å; G140-S142 PolarHBondContact O-N 3.36Å; S142-F189 VanDerWaalsContact OG-CE2 3.23Å; S142-F189 WeakPolarHBondContact OG-CE2 2.99Å; S142-F189 WeakPolarHBondContact OG-CZ 3.38Å; S142-K243 PolarHBondContact OG-O 3Å
143G93.5Very high93.7Very high30 Ų3045.8 Ų45.831%0.30925%0.25SS..THydrogen-bonded Turntrans85.415.2172.300000115.7F139 G140 S141 Y145F139-G143 PolarHBondContact O-N 2.9Å; G140-G143 PolarHBondContact O-N 3.43Å; G140-G143 VanDerWaalsContact O-N 3.07Å; S141-G143 VanDerWaalsContact C-N 3.32Å; G143-Y145 VanDerWaalsContact C-N 3.28Å
144F96Very high93.9Very high22 Ų2248.4 Ų48.410%0.09626%0.26CS..SBendtrans-83.5-3.6175.3-61.1-72.2000113.7F139 C151 Y152 L185 L186 F189F139-F144 HydrophobicContact CB-CB 4.18Å; F139-F144 HydrophobicContact CB-CD2 4.35Å; F139-F144 HydrophobicContact CD1-CD2 4.47Å; F139-F144 WeakPolarHBondContact O-CB 3.2Å; F139-F144 WeakPolarHBondContact O-CD2 3.42Å; F139-F144 PolarHBondContact O-N 3.24Å; F144-C151 HydrophobicContact CB-CB 4.23Å; F144-C151 PolarHBondContact O-N 2.85Å; F144-Y152 HydrophobicContact CB-CE1 4.34Å; F144-L185 HydrophobicContact CD1-CB 4.47Å; F144-L185 HydrophobicContact CE1-CB 4.02Å; F144-L186 HydrophobicContact CB-CD2 3.77Å; F144-L186 HydrophobicContact CD1-CD2 3.85Å; F144-L186 HydrophobicContact CD2-CD2 4.02Å; F144-L186 HydrophobicContact CE1-CD2 4.5Å; F144-L186 HydrophobicContact CG-CD2 3.59Å; F144-F189 HydrophobicContact CE2-CB 3.8Å; F144-F189 AromaticContact CE2-CD1 3.98Å; F144-F189 HydrophobicContact CE2-CD1 3.98Å; F144-F189 AromaticContact CE2-CD2 3.56Å; F144-F189 HydrophobicContact CE2-CD2 3.56Å; F144-F189 HydrophobicContact CE2-CE1 4.47Å; F144-F189 HydrophobicContact CE2-CE2 4.08Å; F144-F189 AromaticContact CE2-CG 3.48Å; F144-F189 HydrophobicContact CE2-CG 3.48Å; F144-F189 VanDerWaalsContact CE2-CG 3.48Å; F144-F189 HydrophobicContact CZ-CB 3.57Å; F144-F189 AromaticContact CZ-CD2 3.91Å; F144-F189 HydrophobicContact CZ-CD2 3.91Å; F144-F189 AromaticContact CZ-CG 3.78Å; F144-F189 HydrophobicContact CZ-CG 3.78Å
145Y95Very high94Very high32 Ų3248.1 Ų48.113%0.12526%0.257CS..BIsolated β-bridgetrans-141.995.8173.2-160-79.8000110.5G143 R149 R150 Y152 R154G143-Y145 VanDerWaalsContact C-N 3.28Å; Y145-R149 CarbonylContact C-O 3.52Å; Y145-R149 WeakPolarHBondContact CA-O 3.46Å; Y145-R150 HydrophobicContact CD2-CB 4.17Å; Y145-R150 HydrophobicContact CD2-CG 4.2Å; Y145-R150 HydrophobicContact CE1-CG 4.45Å; Y145-R150 HydrophobicContact CE2-CB 4.03Å; Y145-R150 HydrophobicContact CE2-CG 3.94Å; Y145-Y152 VanDerWaalsContact CB-OH 3.29Å; Y145-Y152 WeakPolarHBondContact CB-OH 3.5Å; Y145-Y152 HydrophobicContact CD2-CD1 4.34Å; Y145-Y152 HydrophobicContact CD2-CD2 4.01Å; Y145-Y152 AromaticContact CD2-CE1 3.99Å; Y145-Y152 HydrophobicContact CD2-CE1 3.99Å; Y145-Y152 AromaticContact CD2-CE2 3.63Å; Y145-Y152 HydrophobicContact CD2-CE2 3.63Å; Y145-Y152 HydrophobicContact CD2-CG 4.35Å; Y145-Y152 AromaticContact CD2-CZ 3.63Å; Y145-Y152 HydrophobicContact CE2-CD2 4.43Å; Y145-Y152 HydrophobicContact CE2-CE2 4.27Å; Y145-Y152 VanDerWaalsContact CE2-O 3.24Å; Y145-Y152 WeakPolarHBondContact CE2-O 3.34Å; Y145-Y152 HydrophobicContact CG-CE1 4.34Å; Y145-Y152 HydrophobicContact CG-CE2 4.26Å; Y145-Y152 AromaticContact CG-CZ 3.9Å; Y145-R154 VanDerWaalsContact CD1-NH1 3.31Å; Y145-R154 HydrophobicContact CD2-CB 4.03Å; Y145-R154 HydrophobicContact CE1-CB 4.08Å; Y145-R154 HydrophobicContact CE2-CB 3.38Å
146T93Very high94.1Very high52 Ų5252 Ų5232%0.31928%0.275SS..SBendtrans-136.5175.3-179.868.80000109.6S148 R149 R150T146-S148 PolarHBondContact O-N 3.34Å; T146-S148 PolarHBondContact OG1-N 2.99Å; T146-S148 PolarHBondContact OG1-OG 3.04Å; T146-R149 PolarHBondContact N-O 3.08Å; T146-R149 CarbonylContact O-C 3.59Å; T146-R149 PolarHBondContact O-N 2.88Å; T146-R149 VanDerWaalsContact O-O 3.1Å; T146-R149 PolarHBondContact OG1-N 3.09Å; T146-R149 PolarHBondContact OG1-O 3.17Å; T146-R150 WeakPolarHBondContact O-CG 3.32Å
147D90.2Very high94Very high159 Ų15955.4 Ų55.485%0.8529%0.293SS*.SBendtrans-63.8-26.9176.9-65.7-29.5000113
148S90.7Very high94Very high118 Ų11851.1 Ų51.183%0.82527%0.273SS*.SBendtrans-95.4-16.6-179.859.80000114T146T146-S148 PolarHBondContact O-N 3.34Å; T146-S148 PolarHBondContact OG1-N 2.99Å; T146-S148 PolarHBondContact OG1-OG 3.04Å
149R91.4Very high94.1Very high122 Ų12255.8 Ų55.846%0.4630%0.299SS..  trans-149.4122-177.7-179.2179.9-66.9-177.2-2.1111.1Y145 T146Y145-R149 CarbonylContact C-O 3.52Å; Y145-R149 WeakPolarHBondContact CA-O 3.46Å; T146-R149 PolarHBondContact N-O 3.08Å; T146-R149 CarbonylContact O-C 3.59Å; T146-R149 PolarHBondContact O-N 2.88Å; T146-R149 VanDerWaalsContact O-O 3.1Å; T146-R149 PolarHBondContact OG1-N 3.09Å; T146-R149 PolarHBondContact OG1-O 3.17Å
150R95.7Very high94.2Very high145 Ų14558.8 Ų58.855%0.54732%0.315SS..BIsolated β-bridgetrans-123.3100.8172.4-61.8178.6-176.3179.1-1.5108.1Y145 T146 Y152Y145-R150 HydrophobicContact CD2-CB 4.17Å; Y145-R150 HydrophobicContact CD2-CG 4.2Å; Y145-R150 HydrophobicContact CE1-CG 4.45Å; Y145-R150 HydrophobicContact CE2-CB 4.03Å; Y145-R150 HydrophobicContact CE2-CG 3.94Å; T146-R150 WeakPolarHBondContact O-CG 3.32Å; R150-Y152 PolarHBondContact O-N 2.99Å
151C96.7Very high94.4Very high7 Ų759.8 Ų59.85%0.04732%0.317CS..SBendtrans-81.3-2.2-179.1-65.30000113.6F144 N182 L186F144-C151 HydrophobicContact CB-CB 4.23Å; F144-C151 PolarHBondContact O-N 2.85Å; C151-N182 HydrophobicContact CB-CB 3.98Å; C151-N182 PolarHBondContact SG-OD1 2.88Å; C151-N182 VanDerWaalsContact SG-OD1 3.39Å; C151-L186 HydrophobicContact CB-CD1 3.98Å; C151-L186 HydrophobicContact CB-CD2 4.33Å; C151-L186 HydrophobicContact CB-CG 4.09Å
152Y97.6Very high94.8Very high3 Ų360.4 Ų60.41%0.01231%0.312CS..SBendtrans-157.8167.9179.960-88.4000109.1L127 L129 E136 F139 F144 Y145 R150 R154L127-Y152 WeakPolarHBondContact O-CB 3.45Å; L129-Y152 HydrophobicContact CB-CD2 3.9Å; L129-Y152 HydrophobicContact CB-CE2 4.21Å; L129-Y152 HydrophobicContact CD2-CD2 4.33Å; L129-Y152 HydrophobicContact CD2-CE2 4.13Å; E136-Y152 HydrophobicContact CG-CE2 3.94Å; E136-Y152 WeakPolarHBondContact CG-OH 3.24Å; E136-Y152 PolarHBondContact OE1-OH 2.87Å; F139-Y152 HydrophobicContact CB-CE1 3.65Å; F139-Y152 HydrophobicContact CD2-CD1 4.29Å; F139-Y152 HydrophobicContact CD2-CE1 4.08Å; F139-Y152 HydrophobicContact CG-CE1 4.36Å; F144-Y152 HydrophobicContact CB-CE1 4.34Å; Y145-Y152 VanDerWaalsContact CB-OH 3.29Å; Y145-Y152 WeakPolarHBondContact CB-OH 3.5Å; Y145-Y152 HydrophobicContact CD2-CD1 4.34Å; Y145-Y152 HydrophobicContact CD2-CD2 4.01Å; Y145-Y152 AromaticContact CD2-CE1 3.99Å; Y145-Y152 HydrophobicContact CD2-CE1 3.99Å; Y145-Y152 AromaticContact CD2-CE2 3.63Å; Y145-Y152 HydrophobicContact CD2-CE2 3.63Å; Y145-Y152 HydrophobicContact CD2-CG 4.35Å; Y145-Y152 AromaticContact CD2-CZ 3.63Å; Y145-Y152 HydrophobicContact CE2-CD2 4.43Å; Y145-Y152 HydrophobicContact CE2-CE2 4.27Å; Y145-Y152 VanDerWaalsContact CE2-O 3.24Å; Y145-Y152 WeakPolarHBondContact CE2-O 3.34Å; Y145-Y152 HydrophobicContact CG-CE1 4.34Å; Y145-Y152 HydrophobicContact CG-CE2 4.26Å; Y145-Y152 AromaticContact CG-CZ 3.9Å; R150-Y152 PolarHBondContact O-N 2.99Å; Y152-R154 HydrophobicContact CD2-CB 4.43Å; Y152-R154 HydrophobicContact CE2-CB 4Å; Y152-R154 HydrophobicContact CE2-CG 4.47Å
153H97.7Very high95Very high29 Ų2962 Ų6213%0.13432%0.316CS..EExtended strand (participates in β ladder)trans-93.7112.6178-63.8-80.6000109.6S126 L127 I128 L129 L167 E174S126-H153 PolarHBondContact OG-CD2 3.03Å; S126-H153 VanDerWaalsContact OG-CD2 3.3Å; S126-H153 PolarHBondContact OG-NE2 2.61Å; L127-H153 PolarHBondContact O-N 2.83Å; I128-H153 CarbonylContact C-O 3.57Å; I128-H153 WeakPolarHBondContact CA-O 3.4Å; I128-H153 HydrophobicContact CG1-CB 4.04Å; L129-H153 PolarHBondContact N-O 3.46Å; H153-L167 HydrophobicContact CB-CD2 4.12Å; H153-E174 IonicContact CD2-OE2 3.46Å; H153-E174 IonicContact CE1-OE2 3.3Å; H153-E174 IonicContact NE2-OE2 2.85Å; H153-E174 PolarHBondContact NE2-OE2 3.44Å
154R97.5Very high95.2Very high55 Ų5560.6 Ų60.621%0.20830%0.302CS..EExtended strand (participates in β ladder)trans-91.2124.9-176.5-175.9167.572.2-169.52.1111.7L129 E136 Y145 Y152 E156 L167L129-R154 CarbonylContact O-C 3.56Å; L129-R154 VanDerWaalsContact O-CA 3.32Å; L129-R154 WeakPolarHBondContact O-CA 3.2Å; E136-R154 HydrophobicContact CG-CG 4.26Å; E136-R154 WeakPolarHBondContact OE1-CD 3.35Å; E136-R154 IonicContact OE1-CZ 3.06Å; E136-R154 IonicContact OE1-NE 3.46Å; E136-R154 IonicContact OE1-NH1 3.54Å; E136-R154 PolarHBondContact OE1-NH1 2.92Å; Y145-R154 VanDerWaalsContact CD1-NH1 3.31Å; Y145-R154 HydrophobicContact CD2-CB 4.03Å; Y145-R154 HydrophobicContact CE1-CB 4.08Å; Y145-R154 HydrophobicContact CE2-CB 3.38Å; Y152-R154 HydrophobicContact CD2-CB 4.43Å; Y152-R154 HydrophobicContact CE2-CB 4Å; Y152-R154 HydrophobicContact CE2-CG 4.47Å; R154-E156 IonicContact CZ-OE1 2.71Å; R154-E156 VanDerWaalsContact NE-CD 3.29Å; R154-E156 IonicContact NE-OE1 2.68Å; R154-E156 PolarHBondContact NE-OE1 2.73Å; R154-E156 IonicContact NE-OE2 2.61Å; R154-E156 IonicContact NH2-OE1 3.7Å; R154-E156 PolarHBondContact NH2-OE1 2.85Å; R154-L167 VanDerWaalsContact O-CD1 3.25Å; R154-L167 WeakPolarHBondContact O-CD1 3.31Å
155V96.4Very high95.3Very high2 Ų259.6 Ų59.61%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-89.8104.3169.5-174.60000109T105 I128 L129 S130 S131 F164 L167T105-V155 HydrophobicContact CG2-CB 4.47Å; T105-V155 HydrophobicContact CG2-CG2 3.93Å; I128-V155 HydrophobicContact CG2-CG2 3.49Å; I128-V155 VanDerWaalsContact CG2-CG2 3.49Å; L129-V155 PolarHBondContact O-N 3.03Å; S130-V155 WeakPolarHBondContact CA-O 3.4Å; S131-V155 PolarHBondContact N-O 2.93Å; S131-V155 PolarHBondContact OG-O 3.34Å; V155-F164 HydrophobicContact CG1-CD1 4.21Å; V155-F164 HydrophobicContact CG1-CD2 4.2Å; V155-F164 HydrophobicContact CG1-CG 4.07Å; V155-F164 HydrophobicContact CG2-CD2 3.64Å; V155-F164 HydrophobicContact CG2-CE2 3.66Å; V155-F164 HydrophobicContact CG2-CG 4.35Å; V155-F164 HydrophobicContact CG2-CZ 4.32Å; V155-L167 HydrophobicContact CB-CD1 4.32Å; V155-L167 HydrophobicContact CG2-CD1 3.75Å
156E94.7Very high95.4Very high83 Ų8361.5 Ų61.539%0.38831%0.31SS..SBendtrans-71.8-53.6179.9-66.7-70.4-169.700112.1S131 R154S131-E156 PolarHBondContact OG-O 3.34Å; R154-E156 IonicContact CZ-OE1 2.71Å; R154-E156 VanDerWaalsContact NE-CD 3.29Å; R154-E156 IonicContact NE-OE1 2.68Å; R154-E156 PolarHBondContact NE-OE1 2.73Å; R154-E156 IonicContact NE-OE2 2.61Å; R154-E156 IonicContact NH2-OE1 3.7Å; R154-E156 PolarHBondContact NH2-OE1 2.85Å
157N93.4Very high95.6Very high74 Ų7460.2 Ų60.240%0.39630%0.301SS..  trans-122.2108.6179.3179.411.8000109.4N159 D160N157-N159 PolarHBondContact O-N 2.94Å; N157-N159 VanDerWaalsContact O-N 3.08Å; N157-N159 WeakPolarHBondContact OD1-CB 3.25Å; N157-N159 PolarHBondContact OD1-N 3.48Å; N157-N159 PolarHBondContact OD1-ND2 3.49Å; N157-D160 HydrophobicContact CB-CB 4.17Å; N157-D160 PolarHBondContact O-N 3.41Å
158I93.2Very high96Very high11 Ų1152.7 Ų52.76%0.05626%0.26CS..THydrogen-bonded Turntrans-62.4-20.5179.8-156.2174.4000113.3E16 T105 I107 F164E16-I158 HydrophobicContact CB-CD1 4.37Å; E16-I158 HydrophobicContact CB-CG1 3.93Å; E16-I158 WeakPolarHBondContact CB-O 3.47Å; E16-I158 HydrophobicContact CG-CG2 4.4Å; T105-I158 WeakPolarHBondContact O-CD1 3.46Å; I107-I158 HydrophobicContact CG1-CD1 4.43Å; I107-I158 HydrophobicContact CG1-CG2 4.3Å; I158-F164 HydrophobicContact CG1-CD1 4.34Å; I158-F164 HydrophobicContact CG1-CE1 3.99Å
159N94.1Very high96.3Very high107 Ų10750.5 Ų50.557%0.57223%0.234SC*.THydrogen-bonded Turntrans-85.5-12.9178-54.7-63.9000112.8N157 T161N157-N159 PolarHBondContact O-N 2.94Å; N157-N159 VanDerWaalsContact O-N 3.08Å; N157-N159 WeakPolarHBondContact OD1-CB 3.25Å; N157-N159 PolarHBondContact OD1-N 3.48Å; N157-N159 PolarHBondContact OD1-ND2 3.49Å; N159-T161 PolarHBondContact O-N 3.37Å; N159-T161 VanDerWaalsContact O-N 3.09Å
160D96.3Very high96.6Very high63 Ų6346.3 Ų46.334%0.33723%0.226SC..  trans-7894.7172.5-164.2-35.7000109.1N157 E162 E163 F164N157-D160 HydrophobicContact CB-CB 4.17Å; N157-D160 PolarHBondContact O-N 3.41Å; D160-E162 VanDerWaalsContact C-N 3.3Å; D160-E162 PolarHBondContact O-N 2.82Å; D160-E162 PolarHBondContact OD1-N 2.93Å; D160-E162 VanDerWaalsContact OD1-N 3.16Å; D160-E163 HydrophobicContact CB-CB 4.13Å; D160-E163 PolarHBondContact OD1-N 3.36Å; D160-E163 VanDerWaalsContact OD1-N 3.08Å; D160-F164 WeakPolarHBondContact O-CB 3.24Å; D160-F164 PolarHBondContact O-N 2.61Å; D160-F164 VanDerWaalsContact O-N 3.08Å
161T97Very high96.7Very high43 Ų4339.7 Ų39.726%0.26420%0.202SC..Hα-helixtrans-67.7-32-176.1-61.50000112.1V19 R23 N159 A165V19-T161 HydrophobicContact CG1-CG2 3.69Å; R23-T161 HydrophobicContact CB-CG2 3.71Å; R23-T161 HydrophobicContact CG-CG2 3.99Å; N159-T161 PolarHBondContact O-N 3.37Å; N159-T161 VanDerWaalsContact O-N 3.09Å; T161-A165 WeakPolarHBondContact O-CB 3.45Å; T161-A165 PolarHBondContact O-N 2.94Å
162E97.8Very high96.6Very high75 Ų7540 Ų4035%0.3521%0.205SC..Hα-helixtrans-74.2-50.6-177.5-70.9-64.3156.800110.7R23 K27 D160 F164 A165 D166R23-E162 IonicContact CZ-OE1 3.87Å; R23-E162 IonicContact NE-OE1 3.16Å; R23-E162 PolarHBondContact NE-OE1 3.2Å; R23-E162 IonicContact NE-OE2 2.82Å; R23-E162 IonicContact NH2-OE1 3.16Å; R23-E162 PolarHBondContact NH2-OE1 2.86Å; R23-E162 IonicContact NH2-OE2 2.63Å; K27-E162 IonicContact NZ-OE2 3.83Å; K27-E162 PolarHBondContact NZ-OE2 3.04Å; D160-E162 VanDerWaalsContact C-N 3.3Å; D160-E162 PolarHBondContact O-N 2.82Å; D160-E162 PolarHBondContact OD1-N 2.93Å; D160-E162 VanDerWaalsContact OD1-N 3.16Å; E162-F164 VanDerWaalsContact C-N 3.3Å; E162-F164 PolarHBondContact O-N 2.97Å; E162-A165 PolarHBondContact O-N 3.39Å; E162-D166 PolarHBondContact O-N 2.97Å
163E96.8Very high96.5Very high70 Ų7044 Ų4433%0.32723%0.226SC..Hα-helixtrans-59.1-45.4176.3-175.3-172.9-179.700110.4D160 A165 D166 L167D160-E163 HydrophobicContact CB-CB 4.13Å; D160-E163 PolarHBondContact OD1-N 3.36Å; D160-E163 VanDerWaalsContact OD1-N 3.08Å; E163-A165 VanDerWaalsContact C-N 3.34Å; E163-A165 PolarHBondContact O-N 3.32Å; E163-D166 PolarHBondContact O-N 2.78Å; E163-D166 VanDerWaalsContact O-N 3.15Å; E163-L167 WeakPolarHBondContact O-CG 3.36Å; E163-L167 PolarHBondContact O-N 2.7Å
164F97.5Very high96.3Very high1 Ų144.7 Ų44.70%0.00423%0.229CC..Hα-helixtrans-66.5-36.3-178.8-167.2-174.7000112K17 A20 T105 I128 V155 I158 D160 E162 D166 L167 F168K17-F164 HydrophobicContact CB-CE1 4.21Å; K17-F164 HydrophobicContact CB-CZ 4.29Å; K17-F164 HydrophobicContact CG-CE1 4.48Å; K17-F164 HydrophobicContact CG-CZ 4.07Å; A20-F164 HydrophobicContact CB-CB 3.73Å; A20-F164 HydrophobicContact CB-CD1 3.39Å; A20-F164 HydrophobicContact CB-CD2 4.23Å; A20-F164 HydrophobicContact CB-CE1 3.98Å; A20-F164 HydrophobicContact CB-CG 3.51Å; T105-F164 HydrophobicContact CG2-CE1 4.32Å; T105-F164 HydrophobicContact CG2-CE2 3.97Å; T105-F164 HydrophobicContact CG2-CZ 3.51Å; I128-F164 HydrophobicContact CG2-CE2 3.99Å; V155-F164 HydrophobicContact CG1-CD1 4.21Å; V155-F164 HydrophobicContact CG1-CD2 4.2Å; V155-F164 HydrophobicContact CG1-CG 4.07Å; V155-F164 HydrophobicContact CG2-CD2 3.64Å; V155-F164 HydrophobicContact CG2-CE2 3.66Å; V155-F164 HydrophobicContact CG2-CG 4.35Å; V155-F164 HydrophobicContact CG2-CZ 4.32Å; I158-F164 HydrophobicContact CG1-CD1 4.34Å; I158-F164 HydrophobicContact CG1-CE1 3.99Å; D160-F164 WeakPolarHBondContact O-CB 3.24Å; D160-F164 PolarHBondContact O-N 2.61Å; D160-F164 VanDerWaalsContact O-N 3.08Å; E162-F164 VanDerWaalsContact C-N 3.3Å; E162-F164 PolarHBondContact O-N 2.97Å; F164-D166 VanDerWaalsContact C-N 3.34Å; F164-L167 PolarHBondContact O-N 3.37Å; F164-F168 HydrophobicContact CD2-CD2 4.06Å; F164-F168 AromaticContact CD2-CE2 3.78Å; F164-F168 HydrophobicContact CD2-CE2 3.78Å; F164-F168 HydrophobicContact CE2-CD2 4.04Å; F164-F168 AromaticContact CE2-CE2 3.38Å; F164-F168 HydrophobicContact CE2-CE2 3.38Å; F164-F168 AromaticContact CE2-CZ 3.84Å; F164-F168 HydrophobicContact CE2-CZ 3.84Å; F164-F168 HydrophobicContact CG-CE2 4.46Å; F164-F168 AromaticContact CZ-CE2 3.8Å; F164-F168 HydrophobicContact CZ-CE2 3.8Å; F164-F168 HydrophobicContact CZ-CZ 4.08Å; F164-F168 VanDerWaalsContact O-CD2 3.27Å; F164-F168 WeakPolarHBondContact O-CD2 3.3Å; F164-F168 PolarHBondContact O-N 3.24Å
165A98Very high96.2Very high0 Ų045.9 Ų45.90%024%0.239CC..Hα-helixtrans-63.2-39.5172.100000112.5R23 F24 K27 T161 E162 E163 L167 F168 Y169R23-A165 HydrophobicContact CB-CB 3.91Å; R23-A165 HydrophobicContact CG-CB 3.79Å; F24-A165 HydrophobicContact CB-CB 4.1Å; K27-A165 HydrophobicContact CD-CB 4.46Å; T161-A165 WeakPolarHBondContact O-CB 3.45Å; T161-A165 PolarHBondContact O-N 2.94Å; E162-A165 PolarHBondContact O-N 3.39Å; E163-A165 VanDerWaalsContact C-N 3.34Å; E163-A165 PolarHBondContact O-N 3.32Å; A165-L167 VanDerWaalsContact C-N 3.32Å; A165-L167 PolarHBondContact O-N 2.95Å; A165-F168 WeakPolarHBondContact O-CB 3.43Å; A165-F168 PolarHBondContact O-N 3.13Å; A165-Y169 PolarHBondContact O-N 3.2Å
166D97.8Very high96Very high73 Ų7352.7 Ų52.739%0.3927%0.269SS..Hα-helixtrans-67.1-34.6178.2-69.2-20.8000111.9K27 E162 E163 F164 Y169 A170K27-D166 VanDerWaalsContact CE-OD1 3.3Å; K27-D166 WeakPolarHBondContact CE-OD1 3.32Å; K27-D166 VanDerWaalsContact NZ-CG 3.3Å; K27-D166 IonicContact NZ-OD1 3.6Å; K27-D166 PolarHBondContact NZ-OD1 2.76Å; K27-D166 IonicContact NZ-OD2 2.69Å; K27-D166 PolarHBondContact NZ-OD2 3.34Å; E162-D166 PolarHBondContact O-N 2.97Å; E163-D166 PolarHBondContact O-N 2.78Å; E163-D166 VanDerWaalsContact O-N 3.15Å; F164-D166 VanDerWaalsContact C-N 3.34Å; D166-Y169 PolarHBondContact O-N 3Å; D166-A170 WeakPolarHBondContact O-CB 3.23Å; D166-A170 PolarHBondContact O-N 3.24Å
167L97.7Very high96.1Very high25 Ų2556.4 Ų56.413%0.13129%0.286CS..Hα-helixtrans-65.8-35.7173.5-65.9171.4000112.5H153 R154 V155 E163 F164 A165 A171H153-L167 HydrophobicContact CB-CD2 4.12Å; R154-L167 VanDerWaalsContact O-CD1 3.25Å; R154-L167 WeakPolarHBondContact O-CD1 3.31Å; V155-L167 HydrophobicContact CB-CD1 4.32Å; V155-L167 HydrophobicContact CG2-CD1 3.75Å; E163-L167 WeakPolarHBondContact O-CG 3.36Å; E163-L167 PolarHBondContact O-N 2.7Å; F164-L167 PolarHBondContact O-N 3.37Å; A165-L167 VanDerWaalsContact C-N 3.32Å; A165-L167 PolarHBondContact O-N 2.95Å; L167-A171 WeakPolarHBondContact O-CB 3.27Å; L167-A171 PolarHBondContact O-N 3.17Å
168F97.8Very high96.2Very high0 Ų055.5 Ų55.50%028%0.283CS..Hα-helixtrans-60.5-47.4171.7-83.8-71.5000111.3F7 K17 A20 F21 F24 V103 I128 F164 A165 A171 A172F7-F168 AromaticContact CD1-CD1 3.77Å; F7-F168 HydrophobicContact CD1-CD1 3.77Å; F7-F168 HydrophobicContact CD1-CE1 4.05Å; F7-F168 AromaticContact CE1-CD1 3.66Å; F7-F168 HydrophobicContact CE1-CD1 3.66Å; F7-F168 HydrophobicContact CE1-CE1 4.39Å; F7-F168 HydrophobicContact CZ-CD1 4.3Å; K17-F168 HydrophobicContact CG-CZ 4.15Å; A20-F168 HydrophobicContact CB-CD2 4.36Å; A20-F168 HydrophobicContact CB-CE2 4Å; F21-F168 HydrophobicContact CB-CE2 4.22Å; F21-F168 HydrophobicContact CB-CZ 4.27Å; F21-F168 AromaticContact CD2-CD1 3.82Å; F21-F168 HydrophobicContact CD2-CD1 3.82Å; F21-F168 HydrophobicContact CD2-CD2 4.48Å; F21-F168 AromaticContact CD2-CE1 3.78Å; F21-F168 HydrophobicContact CD2-CE1 3.78Å; F21-F168 HydrophobicContact CD2-CE2 4.45Å; F21-F168 HydrophobicContact CD2-CG 4.18Å; F21-F168 HydrophobicContact CD2-CZ 4.12Å; F21-F168 HydrophobicContact CE2-CD1 4.32Å; F21-F168 HydrophobicContact CE2-CE1 4.47Å; F24-F168 HydrophobicContact CB-CB 4Å; F24-F168 HydrophobicContact CD1-CB 4.11Å; F24-F168 HydrophobicContact CD2-CB 3.96Å; F24-F168 HydrophobicContact CE2-CB 4.5Å; F24-F168 HydrophobicContact CG-CB 3.74Å; V103-F168 HydrophobicContact CG1-CE1 4.16Å; V103-F168 HydrophobicContact CG1-CZ 4.1Å; V103-F168 HydrophobicContact CG2-CE1 3.95Å; I128-F168 HydrophobicContact CD1-CD1 3.69Å; I128-F168 HydrophobicContact CD1-CE1 4.03Å; I128-F168 HydrophobicContact CD1-CG 4.15Å; F164-F168 HydrophobicContact CD2-CD2 4.06Å; F164-F168 AromaticContact CD2-CE2 3.78Å; F164-F168 HydrophobicContact CD2-CE2 3.78Å; F164-F168 HydrophobicContact CE2-CD2 4.04Å; F164-F168 AromaticContact CE2-CE2 3.38Å; F164-F168 HydrophobicContact CE2-CE2 3.38Å; F164-F168 AromaticContact CE2-CZ 3.84Å; F164-F168 HydrophobicContact CE2-CZ 3.84Å; F164-F168 HydrophobicContact CG-CE2 4.46Å; F164-F168 AromaticContact CZ-CE2 3.8Å; F164-F168 HydrophobicContact CZ-CE2 3.8Å; F164-F168 HydrophobicContact CZ-CZ 4.08Å; F164-F168 VanDerWaalsContact O-CD2 3.27Å; F164-F168 WeakPolarHBondContact O-CD2 3.3Å; F164-F168 PolarHBondContact O-N 3.24Å; A165-F168 WeakPolarHBondContact O-CB 3.43Å; A165-F168 PolarHBondContact O-N 3.13Å; F168-A171 PolarHBondContact O-N 2.92Å; F168-A172 WeakPolarHBondContact O-CB 3.5Å; F168-A172 PolarHBondContact O-N 3.39Å
169Y97.4Very high96.3Very high73 Ų7355.5 Ų55.529%0.28628%0.284SS..Hα-helixtrans-63.4-47.6177.6-178.6-112000111.7F24 H28 A165 D166 A171 A172 I173F24-Y169 AromaticContact CE2-CD2 3.93Å; F24-Y169 HydrophobicContact CE2-CD2 3.93Å; F24-Y169 HydrophobicContact CE2-CG 4.29Å; H28-Y169 HydrophobicContact CB-CD2 4.3Å; H28-Y169 AromaticContact CD2-CD2 3.68Å; H28-Y169 AromaticContact CD2-CG 3.79Å; H28-Y169 AromaticContact CE1-CD1 3.58Å; H28-Y169 AromaticContact CE1-CD2 3.48Å; H28-Y169 VanDerWaalsContact CE1-CD2 3.48Å; H28-Y169 WeakPolarHBondContact CE1-CD2 3.47Å; H28-Y169 AromaticContact CE1-CE1 3.65Å; H28-Y169 AromaticContact CE1-CE2 3.54Å; H28-Y169 AromaticContact CE1-CG 3.49Å; H28-Y169 VanDerWaalsContact CE1-CG 3.49Å; H28-Y169 AromaticContact CE1-CZ 3.62Å; H28-Y169 AromaticContact CG-CD2 3.53Å; H28-Y169 AromaticContact CG-CE2 3.82Å; H28-Y169 AromaticContact ND1-CD2 3.4Å; H28-Y169 WeakPolarHBondContact ND1-CD2 3.47Å; H28-Y169 AromaticContact ND1-CE2 3.27Å; H28-Y169 VanDerWaalsContact ND1-CE2 3.27Å; H28-Y169 WeakPolarHBondContact ND1-CE2 3.28Å; H28-Y169 AromaticContact ND1-CG 3.92Å; H28-Y169 AromaticContact ND1-CZ 3.71Å; H28-Y169 AromaticContact NE2-CD1 3.76Å; H28-Y169 AromaticContact NE2-CD2 3.68Å; H28-Y169 AromaticContact NE2-CG 3.41Å; A165-Y169 PolarHBondContact O-N 3.2Å; D166-Y169 PolarHBondContact O-N 3Å; Y169-A171 VanDerWaalsContact C-N 3.31Å; Y169-A171 PolarHBondContact O-N 2.94Å; Y169-A172 WeakPolarHBondContact O-CB 3.32Å; Y169-A172 PolarHBondContact O-N 3.34Å; Y169-I173 HydrophobicContact CD1-CD1 4.09Å; Y169-I173 HydrophobicContact CD2-CG2 4.08Å; Y169-I173 HydrophobicContact CE1-CD1 3.55Å; Y169-I173 HydrophobicContact CE1-CG1 4.38Å; Y169-I173 HydrophobicContact CE1-CG2 4.42Å; Y169-I173 HydrophobicContact CE2-CG2 3.68Å; Y169-I173 WeakPolarHBondContact O-CG1 3.41Å; Y169-I173 PolarHBondContact O-N 3.34Å; Y169-I173 VanDerWaalsContact O-N 3.09Å
170A97.1Very high96.4Very high34 Ų3454.1 Ų54.128%0.28127%0.274SS..Hα-helixtrans-56.8-43.6179.400000112.1D166 A172 E174D166-A170 WeakPolarHBondContact O-CB 3.23Å; D166-A170 PolarHBondContact O-N 3.24Å; A170-A172 VanDerWaalsContact C-N 3.34Å; A170-E174 PolarHBondContact O-N 2.9Å; A170-E174 VanDerWaalsContact O-N 3.15Å
171A97.1Very high96.5Very high6 Ų653.9 Ų53.95%0.0528%0.281CS..Hα-helixtrans-67.6-32.1175.300000113V101 I128 L167 F168 Y169V101-A171 HydrophobicContact CG1-CB 3.82Å; V101-A171 HydrophobicContact CG2-CB 4.09Å; I128-A171 HydrophobicContact CD1-CB 3.89Å; I128-A171 HydrophobicContact CG1-CB 3.9Å; L167-A171 WeakPolarHBondContact O-CB 3.27Å; L167-A171 PolarHBondContact O-N 3.17Å; F168-A171 PolarHBondContact O-N 2.92Å; Y169-A171 VanDerWaalsContact C-N 3.31Å; Y169-A171 PolarHBondContact O-N 2.94Å
172A96.1Very high96.4Very high12 Ų1252.9 Ų52.910%0.09927%0.274CS..Hα-helixtrans-71.1-30.8179.700000113.5S5 F7 F168 Y169 A170S5-A172 WeakPolarHBondContact OG-CA 2.95Å; S5-A172 PolarHBondContact OG-O 2.87Å; F7-A172 HydrophobicContact CE2-CB 4.46Å; F7-A172 HydrophobicContact CZ-CB 3.79Å; F168-A172 WeakPolarHBondContact O-CB 3.5Å; F168-A172 PolarHBondContact O-N 3.39Å; Y169-A172 WeakPolarHBondContact O-CB 3.32Å; Y169-A172 PolarHBondContact O-N 3.34Å; A170-A172 VanDerWaalsContact C-N 3.34Å
173I95Very high96.4Very high88 Ų8849.4 Ų49.445%0.45126%0.258SS..Hα-helixtrans-105.2-1.2-175.470163.8000113.6Y169 D175Y169-I173 HydrophobicContact CD1-CD1 4.09Å; Y169-I173 HydrophobicContact CD2-CG2 4.08Å; Y169-I173 HydrophobicContact CE1-CD1 3.55Å; Y169-I173 HydrophobicContact CE1-CG1 4.38Å; Y169-I173 HydrophobicContact CE1-CG2 4.42Å; Y169-I173 HydrophobicContact CE2-CG2 3.68Å; Y169-I173 WeakPolarHBondContact O-CG1 3.41Å; Y169-I173 PolarHBondContact O-N 3.34Å; Y169-I173 VanDerWaalsContact O-N 3.09Å; I173-D175 PolarHBondContact O-N 3.38Å
174E94.2Very high96.3Very high44 Ų4452 Ų5221%0.20627%0.269CS..  trans-58.5134.2178.5-163.9173.2-168.600109.7S126 H153 A170 T178 V179S126-E174 PolarHBondContact OG-OE2 3.15Å; H153-E174 IonicContact CD2-OE2 3.46Å; H153-E174 IonicContact CE1-OE2 3.3Å; H153-E174 IonicContact NE2-OE2 2.85Å; H153-E174 PolarHBondContact NE2-OE2 3.44Å; A170-E174 PolarHBondContact O-N 2.9Å; A170-E174 VanDerWaalsContact O-N 3.15Å; E174-T178 HydrophobicContact CG-CG2 4.42Å; E174-V179 HydrophobicContact CB-CG2 3.87Å; E174-V179 HydrophobicContact CG-CG2 3.63Å
175D93.7Very high96.3Very high80 Ų8054.7 Ų54.743%0.42828%0.282SS..  trans-70.6143-178.17191.8000110.7I173 E177 T178 V179I173-D175 PolarHBondContact O-N 3.38Å; D175-E177 VanDerWaalsContact C-N 3.25Å; D175-E177 PolarHBondContact O-N 3.26Å; D175-E177 PolarHBondContact OD1-N 2.94Å; D175-T178 PolarHBondContact O-N 3.46Å; D175-T178 WeakPolarHBondContact OD1-CB 3.26Å; D175-T178 PolarHBondContact OD1-N 3.48Å; D175-T178 PolarHBondContact OD1-OG1 3.41Å; D175-T178 VanDerWaalsContact OD2-CB 3.25Å; D175-T178 WeakPolarHBondContact OD2-CB 3.47Å; D175-T178 PolarHBondContact OD2-OG1 3.43Å; D175-V179 WeakPolarHBondContact O-CG2 3.44Å; D175-V179 PolarHBondContact O-N 3.42Å
176K93.6Very high96.2Very high144 Ų14454.7 Ų54.763%0.62628%0.283SS*.Hα-helixtrans-60.1-35-173.8-173.3174.5178.1174.20113.1V179 E180K176-V179 PolarHBondContact O-N 3.31Å; K176-E180 WeakPolarHBondContact CE-OE1 3.41Å; K176-E180 HydrophobicContact CG-CG 4.35Å; K176-E180 WeakPolarHBondContact O-CB 3.29Å; K176-E180 VanDerWaalsContact O-CG 3.3Å; K176-E180 WeakPolarHBondContact O-CG 3.49Å; K176-E180 PolarHBondContact O-N 3.37Å
177E95.5Very high96.1Very high161 Ų16153.4 Ų53.475%0.75227%0.274SS*.Hα-helixtrans-65.2-44.1179.7-63.8-178.4-17700111D175 A181D175-E177 VanDerWaalsContact C-N 3.25Å; D175-E177 PolarHBondContact O-N 3.26Å; D175-E177 PolarHBondContact OD1-N 2.94Å; E177-A181 VanDerWaalsContact O-CB 3.31Å; E177-A181 WeakPolarHBondContact O-CB 3.37Å; E177-A181 PolarHBondContact O-N 3.18Å
178T95.8Very high96Very high55 Ų5556.9 Ų56.934%0.33729%0.29SS..Hα-helixtrans-63.8-45.1175-63.70000111.4E174 D175 E180 A181 N182E174-T178 HydrophobicContact CG-CG2 4.42Å; D175-T178 PolarHBondContact O-N 3.46Å; D175-T178 WeakPolarHBondContact OD1-CB 3.26Å; D175-T178 PolarHBondContact OD1-N 3.48Å; D175-T178 PolarHBondContact OD1-OG1 3.41Å; D175-T178 VanDerWaalsContact OD2-CB 3.25Å; D175-T178 WeakPolarHBondContact OD2-CB 3.47Å; D175-T178 PolarHBondContact OD2-OG1 3.43Å; T178-E180 PolarHBondContact O-N 3.4Å; T178-A181 PolarHBondContact O-N 3.2Å; T178-N182 WeakPolarHBondContact CG2-ND2 3.5Å; T178-N182 VanDerWaalsContact O-CB 3.32Å; T178-N182 WeakPolarHBondContact O-CB 3.48Å; T178-N182 PolarHBondContact O-N 2.93Å; T178-N182 PolarHBondContact O-ND2 3.27Å
179V96.2Very high95.9Very high12 Ų1257.4 Ų57.47%0.07329%0.292CS..Hα-helixtrans-59-49177.7176.60000110.9S124 E174 D175 K176 A181 N182 G183S124-V179 WeakPolarHBondContact O-CG1 3.48Å; E174-V179 HydrophobicContact CB-CG2 3.87Å; E174-V179 HydrophobicContact CG-CG2 3.63Å; D175-V179 WeakPolarHBondContact O-CG2 3.44Å; D175-V179 PolarHBondContact O-N 3.42Å; K176-V179 PolarHBondContact O-N 3.31Å; V179-A181 PolarHBondContact O-N 2.83Å; V179-N182 PolarHBondContact O-N 3.49Å; V179-G183 PolarHBondContact O-N 3.05Å
180E96.5Very high95.8Very high78 Ų7854.4 Ų54.436%0.36428%0.281SS..Hα-helixtrans-64.1-41.2179.9-74.1-179.917600112.3K176 T178 K184K176-E180 WeakPolarHBondContact CE-OE1 3.41Å; K176-E180 HydrophobicContact CG-CG 4.35Å; K176-E180 WeakPolarHBondContact O-CB 3.29Å; K176-E180 VanDerWaalsContact O-CG 3.3Å; K176-E180 WeakPolarHBondContact O-CG 3.49Å; K176-E180 PolarHBondContact O-N 3.37Å; T178-E180 PolarHBondContact O-N 3.4Å; E180-K184 VanDerWaalsContact O-CB 3.27Å; E180-K184 WeakPolarHBondContact O-CB 3.18Å; E180-K184 PolarHBondContact O-N 2.76Å
181A96.9Very high95.6Very high57 Ų5757.6 Ų57.647%0.47129%0.293SS..Hα-helixtrans-63.2-44.9177.100000111.8E177 T178 V179 L185E177-A181 VanDerWaalsContact O-CB 3.31Å; E177-A181 WeakPolarHBondContact O-CB 3.37Å; E177-A181 PolarHBondContact O-N 3.18Å; T178-A181 PolarHBondContact O-N 3.2Å; V179-A181 PolarHBondContact O-N 2.83Å; A181-L185 WeakPolarHBondContact O-CG 3.32Å; A181-L185 PolarHBondContact O-N 2.7Å
182N96.8Very high95.3Very high22 Ų2259.1 Ų59.112%0.11831%0.306CS..Hα-helixtrans-66.6-47.4178.2-78-28.2000112.1C151 T178 V179 K184 L185 L186C151-N182 HydrophobicContact CB-CB 3.98Å; C151-N182 PolarHBondContact SG-OD1 2.88Å; C151-N182 VanDerWaalsContact SG-OD1 3.39Å; T178-N182 WeakPolarHBondContact CG2-ND2 3.5Å; T178-N182 VanDerWaalsContact O-CB 3.32Å; T178-N182 WeakPolarHBondContact O-CB 3.48Å; T178-N182 PolarHBondContact O-N 2.93Å; T178-N182 PolarHBondContact O-ND2 3.27Å; V179-N182 PolarHBondContact O-N 3.49Å; N182-K184 VanDerWaalsContact C-N 3.34Å; N182-K184 PolarHBondContact O-N 3.3Å; N182-L185 WeakPolarHBondContact O-CB 3.47Å; N182-L185 PolarHBondContact O-N 3.14Å; N182-L186 PolarHBondContact O-N 3.37Å
183G96.3Very high95.1Very high3 Ų359.8 Ų59.83%0.03131%0.307CS..Hα-helixtrans-68.4-31.8-178.500000112.9P123 V179 L185 L186 H187P123-G183 CarbonylContact O-C 3.55Å; P123-G183 VanDerWaalsContact O-CA 3.23Å; P123-G183 WeakPolarHBondContact O-CA 3.03Å; V179-G183 PolarHBondContact O-N 3.05Å; G183-L185 PolarHBondContact O-N 3.45Å; G183-L186 PolarHBondContact O-N 3.48Å; G183-H187 WeakPolarHBondContact O-CB 3.06Å; G183-H187 PolarHBondContact O-N 3.18Å
184K95.9Very high94.8Very high125 Ų12559.2 Ų59.254%0.54331%0.305SS..Hα-helixtrans-59.6-45.6170.8-177.5178.3175.2-177.50112.3E180 N182 H187 E188E180-K184 VanDerWaalsContact O-CB 3.27Å; E180-K184 WeakPolarHBondContact O-CB 3.18Å; E180-K184 PolarHBondContact O-N 2.76Å; N182-K184 VanDerWaalsContact C-N 3.34Å; N182-K184 PolarHBondContact O-N 3.3Å; K184-H187 PolarHBondContact O-N 3.39Å; K184-E188 WeakPolarHBondContact CE-OE1 3.24Å; K184-E188 WeakPolarHBondContact O-CG 3.26Å; K184-E188 PolarHBondContact O-N 3.3Å
185L96.4Very high94.5Very high56 Ų5662.5 Ų62.529%0.29332%0.323SS..Hα-helixtrans-61.8-45.1178.2-70.1173.5000111.7F144 A181 N182 G183 F189F144-L185 HydrophobicContact CD1-CB 4.47Å; F144-L185 HydrophobicContact CE1-CB 4.02Å; A181-L185 WeakPolarHBondContact O-CG 3.32Å; A181-L185 PolarHBondContact O-N 2.7Å; N182-L185 WeakPolarHBondContact O-CB 3.47Å; N182-L185 PolarHBondContact O-N 3.14Å; G183-L185 PolarHBondContact O-N 3.45Å; L185-F189 WeakPolarHBondContact O-CB 3.48Å; L185-F189 PolarHBondContact O-N 3.07Å; L185-F189 VanDerWaalsContact O-N 3.09Å
186L96.5Very high94.2Very high1 Ų165.1 Ų65.11%0.00533%0.333CS..Hα-helixtrans-64.6-41176.8-68.2171.6000111.5L119 F139 F144 C151 N182 G183 F189 L190L119-L186 HydrophobicContact CD1-CB 4.04Å; L119-L186 HydrophobicContact CD1-CD1 3.89Å; L119-L186 HydrophobicContact CD2-CD1 4.36Å; F139-L186 HydrophobicContact CD1-CD2 4.07Å; F139-L186 HydrophobicContact CD2-CD2 3.9Å; F139-L186 HydrophobicContact CE1-CD2 4.18Å; F139-L186 HydrophobicContact CE2-CD2 4.01Å; F139-L186 HydrophobicContact CG-CD2 3.93Å; F139-L186 HydrophobicContact CZ-CD2 4.15Å; F144-L186 HydrophobicContact CB-CD2 3.77Å; F144-L186 HydrophobicContact CD1-CD2 3.85Å; F144-L186 HydrophobicContact CD2-CD2 4.02Å; F144-L186 HydrophobicContact CE1-CD2 4.5Å; F144-L186 HydrophobicContact CG-CD2 3.59Å; C151-L186 HydrophobicContact CB-CD1 3.98Å; C151-L186 HydrophobicContact CB-CD2 4.33Å; C151-L186 HydrophobicContact CB-CG 4.09Å; N182-L186 PolarHBondContact O-N 3.37Å; G183-L186 PolarHBondContact O-N 3.48Å; L186-F189 PolarHBondContact O-N 2.78Å; L186-L190 WeakPolarHBondContact O-CB 3.15Å; L186-L190 VanDerWaalsContact O-CG 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.48Å
187H95.5Very high93.9Very high46 Ų4661.7 Ų61.721%0.21332%0.318CS..Hα-helixtrans-63-47.4178.1179.1-89.8000112.1P123 G183 K184 F189 L190 L191P123-H187 HydrophobicContact CB-CB 3.89Å; G183-H187 WeakPolarHBondContact O-CB 3.06Å; G183-H187 PolarHBondContact O-N 3.18Å; K184-H187 PolarHBondContact O-N 3.39Å; H187-F189 VanDerWaalsContact C-N 3.3Å; H187-F189 PolarHBondContact O-N 3.44Å; H187-L190 PolarHBondContact O-N 3.26Å; H187-L191 WeakPolarHBondContact CE1-CD1 3.29Å; H187-L191 WeakPolarHBondContact O-CG 3.43Å; H187-L191 PolarHBondContact O-N 3.07Å
188E95.6Very high93.3Very high97 Ų9759.5 Ų59.545%0.45330%0.303SS..Hα-helixtrans-58.5-43174.8-74.3175.8-176.100111.5K184 L191 A192K184-E188 WeakPolarHBondContact CE-OE1 3.24Å; K184-E188 WeakPolarHBondContact O-CG 3.26Å; K184-E188 PolarHBondContact O-N 3.3Å; E188-L191 PolarHBondContact O-N 3.02Å; E188-A192 WeakPolarHBondContact O-CB 3.38Å; E188-A192 PolarHBondContact O-N 3.23Å
189F95.5Very high92.7Very high12 Ų1258.8 Ų58.85%0.05330%0.3CS..Hα-helixtrans-62.5-42.6175.5173.8-95.1000112.9Q138 F139 S142 F144 L185 L186 H187 A192 N193Q138-F189 HydrophobicContact CG-CE1 3.66Å; Q138-F189 HydrophobicContact CG-CZ 3.7Å; F139-F189 HydrophobicContact CD1-CD1 4.13Å; F139-F189 AromaticContact CD1-CE1 3.98Å; F139-F189 HydrophobicContact CD1-CE1 3.98Å; F139-F189 AromaticContact CE1-CD1 3.94Å; F139-F189 HydrophobicContact CE1-CD1 3.94Å; F139-F189 HydrophobicContact CE1-CE1 4.02Å; S142-F189 VanDerWaalsContact OG-CE2 3.23Å; S142-F189 WeakPolarHBondContact OG-CE2 2.99Å; S142-F189 WeakPolarHBondContact OG-CZ 3.38Å; F144-F189 HydrophobicContact CE2-CB 3.8Å; F144-F189 AromaticContact CE2-CD1 3.98Å; F144-F189 HydrophobicContact CE2-CD1 3.98Å; F144-F189 AromaticContact CE2-CD2 3.56Å; F144-F189 HydrophobicContact CE2-CD2 3.56Å; F144-F189 HydrophobicContact CE2-CE1 4.47Å; F144-F189 HydrophobicContact CE2-CE2 4.08Å; F144-F189 AromaticContact CE2-CG 3.48Å; F144-F189 HydrophobicContact CE2-CG 3.48Å; F144-F189 VanDerWaalsContact CE2-CG 3.48Å; F144-F189 HydrophobicContact CZ-CB 3.57Å; F144-F189 AromaticContact CZ-CD2 3.91Å; F144-F189 HydrophobicContact CZ-CD2 3.91Å; F144-F189 AromaticContact CZ-CG 3.78Å; F144-F189 HydrophobicContact CZ-CG 3.78Å; L185-F189 WeakPolarHBondContact O-CB 3.48Å; L185-F189 PolarHBondContact O-N 3.07Å; L185-F189 VanDerWaalsContact O-N 3.09Å; L186-F189 PolarHBondContact O-N 2.78Å; H187-F189 VanDerWaalsContact C-N 3.3Å; H187-F189 PolarHBondContact O-N 3.44Å; F189-A192 PolarHBondContact O-N 2.96Å; F189-N193 WeakPolarHBondContact CD2-ND2 3.27Å; F189-N193 VanDerWaalsContact CE2-ND2 3.31Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.32Å; F189-N193 WeakPolarHBondContact O-CB 3.32Å; F189-N193 PolarHBondContact O-N 2.94Å; F189-N193 VanDerWaalsContact O-N 3.14Å; F189-N193 PolarHBondContact O-ND2 3.31Å
190L94.7Very high92.2Very high9 Ų960.5 Ų60.55%0.04732%0.32CS..Hα-helixtrans-65.3-42.1178.5-73.2173.7000111.7K116 L119 I120 F139 L186 H187 A192 N193K116-L190 HydrophobicContact CB-CD1 4.3Å; K116-L190 HydrophobicContact CB-CD2 4.07Å; K116-L190 HydrophobicContact CD-CD2 3.77Å; K116-L190 HydrophobicContact CG-CD2 3.73Å; L119-L190 HydrophobicContact CB-CD1 3.8Å; L119-L190 HydrophobicContact CD1-CD1 4.16Å; I120-L190 HydrophobicContact CD1-CB 4.46Å; I120-L190 HydrophobicContact CG1-CB 4.24Å; I120-L190 HydrophobicContact CG1-CD1 4.06Å; F139-L190 HydrophobicContact CE1-CD2 3.82Å; F139-L190 HydrophobicContact CE1-CG 4.21Å; F139-L190 HydrophobicContact CZ-CD1 4.2Å; F139-L190 HydrophobicContact CZ-CD2 3.98Å; F139-L190 HydrophobicContact CZ-CG 4.22Å; L186-L190 WeakPolarHBondContact O-CB 3.15Å; L186-L190 VanDerWaalsContact O-CG 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.48Å; H187-L190 PolarHBondContact O-N 3.26Å; L190-A192 VanDerWaalsContact C-N 3.32Å; L190-A192 PolarHBondContact O-N 3.12Å; L190-N193 CarbonylContact O-C 3.57Å; L190-N193 VanDerWaalsContact O-C 3.31Å; L190-N193 PolarHBondContact O-N 3.14Å
191L92.9Very high91.4Very high101 Ų10158.4 Ų58.453%0.52931%0.314SS..Hα-helixtrans-64.8-36.2175.3-69.4-174.2000112.3H187 E188 N193H187-L191 WeakPolarHBondContact CE1-CD1 3.29Å; H187-L191 WeakPolarHBondContact O-CG 3.43Å; H187-L191 PolarHBondContact O-N 3.07Å; E188-L191 PolarHBondContact O-N 3.02Å; L191-N193 PolarHBondContact O-N 2.81Å
192A92.5Very high90.3Very high39 Ų3959.3 Ų59.332%0.32231%0.308SS..THydrogen-bonded Turntrans-75.4-9.4176.300000113.9E188 F189 L190 K197 I247E188-A192 WeakPolarHBondContact O-CB 3.38Å; E188-A192 PolarHBondContact O-N 3.23Å; F189-A192 PolarHBondContact O-N 2.96Å; L190-A192 VanDerWaalsContact C-N 3.32Å; L190-A192 PolarHBondContact O-N 3.12Å; A192-K197 WeakPolarHBondContact O-CD 3.19Å; A192-K197 PolarHBondContact O-NZ 3.37Å; A192-I247 HydrophobicContact CB-CD1 4.42Å
193N90.2Very high89.3Confident25 Ų2563.5 Ų63.513%0.13433%0.329CS..THydrogen-bonded Turntrans-131.554.9-178.8-63.4-78000111.3F189 L190 L191 K197F189-N193 WeakPolarHBondContact CD2-ND2 3.27Å; F189-N193 VanDerWaalsContact CE2-ND2 3.31Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.32Å; F189-N193 WeakPolarHBondContact O-CB 3.32Å; F189-N193 PolarHBondContact O-N 2.94Å; F189-N193 VanDerWaalsContact O-N 3.14Å; F189-N193 PolarHBondContact O-ND2 3.31Å; L190-N193 CarbonylContact O-C 3.57Å; L190-N193 VanDerWaalsContact O-C 3.31Å; L190-N193 PolarHBondContact O-N 3.14Å; L191-N193 PolarHBondContact O-N 2.81Å; N193-K197 PolarHBondContact OD1-NZ 2.86Å
194D89.4Confident88.3Confident77 Ų7766 Ų6641%0.41234%0.342SS..  trans-75.4179.4179.270.811.4000113.8E196 K197 W198D194-E196 VanDerWaalsContact C-N 3.29Å; D194-E196 PolarHBondContact O-N 2.85Å; D194-E196 PolarHBondContact OD1-N 3.09Å; D194-E196 VanDerWaalsContact OD1-N 3.12Å; D194-K197 PolarHBondContact O-N 2.84Å; D194-K197 WeakPolarHBondContact OD1-CB 3.14Å; D194-K197 PolarHBondContact OD1-N 3.45Å; D194-W198 PolarHBondContact O-N 3.42Å; D194-W198 VanDerWaalsContact O-N 3.11Å
195I88.7Confident87.1Confident112 Ų11264.9 Ų64.957%0.57435%0.348SS*.Hα-helixtrans-67.7-29.1-179.6-168.962.1000112.8W198 S199I195-W198 HydrophobicContact CD1-CD2 4.16Å; I195-W198 HydrophobicContact CD1-CE3 3.52Å; I195-W198 HydrophobicContact CD1-CZ3 4.12Å; I195-W198 HydrophobicContact CG1-CE3 4.47Å; I195-W198 PolarHBondContact O-N 3.11Å; I195-S199 VanDerWaalsContact O-CB 3.3Å; I195-S199 WeakPolarHBondContact O-CB 3.43Å; I195-S199 PolarHBondContact O-N 3.12Å
196E87.6Confident85.9Confident136 Ų13665.6 Ų65.664%0.63636%0.357SS*.Hα-helixtrans-70.3-43.6178.6-65.6-59.7155.300110.4D194 W198 S199 G200D194-E196 VanDerWaalsContact C-N 3.29Å; D194-E196 PolarHBondContact O-N 2.85Å; D194-E196 PolarHBondContact OD1-N 3.09Å; D194-E196 VanDerWaalsContact OD1-N 3.12Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.79Å; E196-S199 PolarHBondContact O-N 3.45Å; E196-G200 PolarHBondContact O-N 3.27Å
197K85.9Confident84.6Confident71 Ų7167.1 Ų67.131%0.30936%0.363SS..Hα-helixtrans-61.8-41.3172.6-171.6-176.9-171.3-177.10111.6A192 N193 D194 S201A192-K197 WeakPolarHBondContact O-CD 3.19Å; A192-K197 PolarHBondContact O-NZ 3.37Å; N193-K197 PolarHBondContact OD1-NZ 2.86Å; D194-K197 PolarHBondContact O-N 2.84Å; D194-K197 WeakPolarHBondContact OD1-CB 3.14Å; D194-K197 PolarHBondContact OD1-N 3.45Å; K197-S201 VanDerWaalsContact O-CB 3.27Å; K197-S201 WeakPolarHBondContact O-CB 3.46Å; K197-S201 PolarHBondContact O-N 3.14Å; K197-S201 PolarHBondContact O-OG 3.35Å
198W84.4Confident82.8Confident115 Ų11566.4 Ų66.444%0.43636%0.362SS..Hα-helixtrans-60.7-49.3174.1174.782000111.4D194 I195 E196 S201 F202D194-W198 PolarHBondContact O-N 3.42Å; D194-W198 VanDerWaalsContact O-N 3.11Å; I195-W198 HydrophobicContact CD1-CD2 4.16Å; I195-W198 HydrophobicContact CD1-CE3 3.52Å; I195-W198 HydrophobicContact CD1-CZ3 4.12Å; I195-W198 HydrophobicContact CG1-CE3 4.47Å; I195-W198 PolarHBondContact O-N 3.11Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.79Å; W198-S201 PolarHBondContact O-N 3.49Å; W198-F202 HydrophobicContact CZ2-CD2 4.36Å; W198-F202 HydrophobicContact CZ2-CG 4.48Å; W198-F202 VanDerWaalsContact O-CB 3.31Å; W198-F202 WeakPolarHBondContact O-CB 3.21Å; W198-F202 PolarHBondContact O-N 2.81Å
199S82.9Confident81.1Confident41 Ų4166.7 Ų66.729%0.28736%0.363SS..Hα-helixtrans-61-48.5179.5-176.90000111.7I195 E196 S201 F202 L203I195-S199 VanDerWaalsContact O-CB 3.3Å; I195-S199 WeakPolarHBondContact O-CB 3.43Å; I195-S199 PolarHBondContact O-N 3.12Å; E196-S199 PolarHBondContact O-N 3.45Å; S199-S201 VanDerWaalsContact C-N 3.32Å; S199-S201 PolarHBondContact O-N 3.39Å; S199-F202 PolarHBondContact O-N 3Å; S199-F202 VanDerWaalsContact O-N 3.16Å; S199-L203 WeakPolarHBondContact O-CB 3.23Å; S199-L203 WeakPolarHBondContact O-CG 3.31Å; S199-L203 PolarHBondContact O-N 3.32Å
200G84.5Confident79.4Confident48 Ų4872.2 Ų72.250%0.49539%0.389SS..Hα-helixtrans-61.2-39.4176.900000112.7E196 D204E196-G200 PolarHBondContact O-N 3.27Å; G200-D204 PolarHBondContact O-N 3.42Å
201S79.3Confident77.5Confident34 Ų3474.7 Ų74.724%0.23840%0.404CS..Hα-helixtrans-70.2-37.6174.9-59.10000112.2K197 W198 S199 D204 W207K197-S201 VanDerWaalsContact O-CB 3.27Å; K197-S201 WeakPolarHBondContact O-CB 3.46Å; K197-S201 PolarHBondContact O-N 3.14Å; K197-S201 PolarHBondContact O-OG 3.35Å; W198-S201 PolarHBondContact O-N 3.49Å; S199-S201 VanDerWaalsContact C-N 3.32Å; S199-S201 PolarHBondContact O-N 3.39Å; S201-D204 PolarHBondContact O-N 2.9Å; S201-W207 WeakPolarHBondContact O-CZ2 3.43Å; S201-W207 PolarHBondContact O-NE1 2.84Å
202F74.6Confident75.8Confident76 Ų7675.9 Ų75.933%0.33341%0.41SS..Hα-helixtrans-65.7-39.1178.9-171.9-96.5000112.3W198 S199 W207 T208 I237W198-F202 HydrophobicContact CZ2-CD2 4.36Å; W198-F202 HydrophobicContact CZ2-CG 4.48Å; W198-F202 VanDerWaalsContact O-CB 3.31Å; W198-F202 WeakPolarHBondContact O-CB 3.21Å; W198-F202 PolarHBondContact O-N 2.81Å; S199-F202 PolarHBondContact O-N 3Å; S199-F202 VanDerWaalsContact O-N 3.16Å; F202-W207 HydrophobicContact CD2-CH2 4.09Å; F202-W207 HydrophobicContact CD2-CZ2 4.45Å; F202-W207 HydrophobicContact CE2-CH2 4.3Å; F202-W207 WeakPolarHBondContact O-CZ2 3.5Å; F202-T208 PolarHBondContact O-OG1 3.4Å; F202-I237 HydrophobicContact CE2-CD1 4.21Å
203L76.6Confident74.4Confident109 Ų10980.5 Ų80.557%0.57143%0.425SS*.THydrogen-bonded Turntrans-91.85.1-178.1-63.5175000113.5S199 P205S199-L203 WeakPolarHBondContact O-CB 3.23Å; S199-L203 WeakPolarHBondContact O-CG 3.31Å; S199-L203 PolarHBondContact O-N 3.32Å; L203-P205 WeakPolarHBondContact O-CD 3.44Å; L203-P205 VanDerWaalsContact O-N 3.12Å
204D75.3Confident73.1Confident55 Ų5585.4 Ų85.429%0.29446%0.461SS..  trans-61.5114.5179.7-179.1-3.8000110G200 S201 S206 W207 T208G200-D204 PolarHBondContact O-N 3.42Å; S201-D204 PolarHBondContact O-N 2.9Å; D204-S206 PolarHBondContact O-N 3.26Å; D204-S206 WeakPolarHBondContact OD1-CB 3.31Å; D204-S206 PolarHBondContact OD1-N 3.48Å; D204-S206 PolarHBondContact OD1-OG 2.89Å; D204-S206 PolarHBondContact OD2-OG 2.89Å; D204-W207 PolarHBondContact O-N 3.46Å; D204-T208 WeakPolarHBondContact O-CB 3.49Å; D204-T208 PolarHBondContact O-N 2.75Å; D204-T208 VanDerWaalsContact O-N 3.12Å; D204-T208 PolarHBondContact O-OG1 2.8Å
205P70.4Confident72.1Confident103 Ų10384.9 Ų84.967%0.66946%0.46SS*.Hα-helixtrans-59.8-21.2-178.6-22.534000113.3L203 W207 H209L203-P205 WeakPolarHBondContact O-CD 3.44Å; L203-P205 VanDerWaalsContact O-N 3.12Å; P205-W207 PolarHBondContact O-N 3.25Å; P205-W207 VanDerWaalsContact O-N 3.09Å; P205-H209 PolarHBondContact O-ND1 3.4Å
206S71.4Confident71.6Confident71 Ų7186.1 Ų86.150%0.49746%0.464SS..Hα-helixtrans-59.8-18.1-179.977.10000114.1D204 H209D204-S206 PolarHBondContact O-N 3.26Å; D204-S206 WeakPolarHBondContact OD1-CB 3.31Å; D204-S206 PolarHBondContact OD1-N 3.48Å; D204-S206 PolarHBondContact OD1-OG 2.89Å; D204-S206 PolarHBondContact OD2-OG 2.89Å; S206-H209 PolarHBondContact O-CE1 3.15Å
207W68.8Low71.3Confident33 Ų3383.6 Ų83.613%0.12545%0.454CS..Hα-helixtrans-138.5-12.4173.669.3-84000113.9S201 F202 D204 P205 H209 E210 V211 I237S201-W207 WeakPolarHBondContact O-CZ2 3.43Å; S201-W207 PolarHBondContact O-NE1 2.84Å; F202-W207 HydrophobicContact CD2-CH2 4.09Å; F202-W207 HydrophobicContact CD2-CZ2 4.45Å; F202-W207 HydrophobicContact CE2-CH2 4.3Å; F202-W207 WeakPolarHBondContact O-CZ2 3.5Å; D204-W207 PolarHBondContact O-N 3.46Å; P205-W207 PolarHBondContact O-N 3.25Å; P205-W207 VanDerWaalsContact O-N 3.09Å; W207-H209 PolarHBondContact O-N 3.49Å; W207-H209 VanDerWaalsContact O-N 3.13Å; W207-E210 WeakPolarHBondContact O-CB 3.3Å; W207-E210 PolarHBondContact O-N 2.89Å; W207-V211 HydrophobicContact CE3-CG2 3.69Å; W207-V211 HydrophobicContact CZ3-CB 4.38Å; W207-V211 HydrophobicContact CZ3-CG2 3.62Å; W207-I237 HydrophobicContact CH2-CD1 4.19Å; W207-I237 HydrophobicContact CH2-CG1 3.67Å; W207-I237 HydrophobicContact CZ3-CD1 4.17Å; W207-I237 HydrophobicContact CZ3-CG1 3.79Å
208T58Low71.3Confident30 Ų3087.3 Ų87.318%0.18447%0.47CS..Hα-helixtrans-59.1-30.7-179.6-58.40000111.9F202 D204 E210 V211 I212F202-T208 PolarHBondContact O-OG1 3.4Å; D204-T208 WeakPolarHBondContact O-CB 3.49Å; D204-T208 PolarHBondContact O-N 2.75Å; D204-T208 VanDerWaalsContact O-N 3.12Å; D204-T208 PolarHBondContact O-OG1 2.8Å; T208-E210 PolarHBondContact O-N 3.04Å; T208-V211 PolarHBondContact O-N 3.11Å; T208-V211 VanDerWaalsContact O-N 3.1Å; T208-I212 HydrophobicContact CG2-CD1 3.95Å; T208-I212 HydrophobicContact CG2-CG1 4.38Å; T208-I212 PolarHBondContact O-N 2.94Å; T208-I212 VanDerWaalsContact O-N 3.07Å
209H60.2Low71.5Confident103 Ų10385.4 Ų85.448%0.47747%0.472SS..THydrogen-bonded Turntrans-65.8-16.8175.268.2-87.8000114.1P205 S206 W207 Q213P205-H209 PolarHBondContact O-ND1 3.4Å; S206-H209 PolarHBondContact O-CE1 3.15Å; W207-H209 PolarHBondContact O-N 3.49Å; W207-H209 VanDerWaalsContact O-N 3.13Å; H209-Q213 VanDerWaalsContact O-CG 3.31Å; H209-Q213 WeakPolarHBondContact O-CG 3.42Å; H209-Q213 PolarHBondContact O-NE2 3.33Å
210E58.8Low71.5Confident129 Ų12989.2 Ų89.260%0.60349%0.488SS*.THydrogen-bonded Turntrans-82.5-16.9173.8-60-169.6155.300112.7W207 T208W207-E210 WeakPolarHBondContact O-CB 3.3Å; W207-E210 PolarHBondContact O-N 2.89Å; T208-E210 PolarHBondContact O-N 3.04Å
211V55.4Low71.5Confident61 Ų6194.5 Ų94.537%0.3750%0.498SS..THydrogen-bonded Turntrans-114.6-29.2-170-171.30000112.9W207 T208 A233W207-V211 HydrophobicContact CE3-CG2 3.69Å; W207-V211 HydrophobicContact CZ3-CB 4.38Å; W207-V211 HydrophobicContact CZ3-CG2 3.62Å; T208-V211 PolarHBondContact O-N 3.11Å; T208-V211 VanDerWaalsContact O-N 3.1Å; V211-A233 HydrophobicContact CB-CB 4.43Å; V211-A233 HydrophobicContact CG1-CB 4.08Å; V211-A233 HydrophobicContact CG2-CB 3.7Å
212I58Low71.7Confident125 Ų12595.5 Ų95.564%0.64150%0.5SS*.  trans-116.690179.9-52.1178.6000109.2T208T208-I212 HydrophobicContact CG2-CD1 3.95Å; T208-I212 HydrophobicContact CG2-CG1 4.38Å; T208-I212 PolarHBondContact O-N 2.94Å; T208-I212 VanDerWaalsContact O-N 3.07Å
213Q62Low71.9Confident136 Ų13696.4 Ų96.464%0.63650%0.504SS*.  trans-132.2139.3168.4-64.7-170.6-6.500109.6H209 V215H209-Q213 VanDerWaalsContact O-CG 3.31Å; H209-Q213 WeakPolarHBondContact O-CG 3.42Å; H209-Q213 PolarHBondContact O-NE2 3.33Å; Q213-V215 HydrophobicContact CB-CG2 4.5Å; Q213-V215 PolarHBondContact O-N 3.03Å
214S63.7Low72.2Confident128 Ų12897.5 Ų97.590%0.89550%0.501SS*.  trans-71.1112.7167.766.60000108.5
215V68.4Low72.6Confident66 Ų6698 Ų9840%0.451%0.506SS..  trans-105.4121.6175.5-177.50000108.6Q213 L217 L226Q213-V215 HydrophobicContact CB-CG2 4.5Å; Q213-V215 PolarHBondContact O-N 3.03Å; V215-L217 HydrophobicContact CG1-CD2 4.31Å; V215-L217 PolarHBondContact O-N 2.85Å; V215-L226 HydrophobicContact CB-CD1 4.38Å; V215-L226 HydrophobicContact CG2-CD1 4.03Å
216E77Confident73Confident139 Ų13995.3 Ų95.365%0.6549%0.486SS*.  trans-73.9110.3173-163.2-175.1179.100108.8K218E216-K218 VanDerWaalsContact CD-NZ 3.34Å; E216-K218 HydrophobicContact CG-CG 4.35Å; E216-K218 PolarHBondContact O-N 3.38Å; E216-K218 WeakPolarHBondContact OE1-CE 3.12Å; E216-K218 IonicContact OE1-NZ 2.77Å; E216-K218 PolarHBondContact OE1-NZ 3.4Å; E216-K218 WeakPolarHBondContact OE2-CE 3.39Å; E216-K218 IonicContact OE2-NZ 3.33Å; E216-K218 PolarHBondContact OE2-NZ 3.24Å
217L81.6Confident73.3Confident82 Ų8296.3 Ų96.343%0.42948%0.484SS..  trans-88.2101.3-179.9-65.7174.9000110V215 D222 F223 L226V215-L217 HydrophobicContact CG1-CD2 4.31Å; V215-L217 PolarHBondContact O-N 2.85Å; L217-D222 HydrophobicContact CD2-CB 3.87Å; L217-F223 HydrophobicContact CD1-CD2 4.23Å; L217-F223 HydrophobicContact CD2-CB 4.49Å; L217-L226 HydrophobicContact CD1-CD2 4.06Å; L217-L226 HydrophobicContact CD2-CB 4.26Å; L217-L226 HydrophobicContact CD2-CD2 3.98Å; L217-L226 HydrophobicContact CG-CD2 4.37Å
218K86.6Confident73.8Confident149 Ų149100.6 Ų100.665%0.64850%0.504SS*.  trans-97.9-30.5178.7-67.1-175.6-178167.90112.9E216 D222E216-K218 VanDerWaalsContact CD-NZ 3.34Å; E216-K218 HydrophobicContact CG-CG 4.35Å; E216-K218 PolarHBondContact O-N 3.38Å; E216-K218 WeakPolarHBondContact OE1-CE 3.12Å; E216-K218 IonicContact OE1-NZ 2.77Å; E216-K218 PolarHBondContact OE1-NZ 3.4Å; E216-K218 WeakPolarHBondContact OE2-CE 3.39Å; E216-K218 IonicContact OE2-NZ 3.33Å; E216-K218 PolarHBondContact OE2-NZ 3.24Å; K218-D222 PolarHBondContact N-OD2 2.88Å
219T88.4Confident74.7Confident76 Ų76104.4 Ų104.447%0.46652%0.52SS..SBendtrans-129.6160.1-174.673.20000111.7K221 D222 F223T219-K221 PolarHBondContact O-N 2.82Å; T219-K221 PolarHBondContact OG1-N 3.42Å; T219-D222 WeakPolarHBondContact CB-OD2 3.21Å; T219-D222 PolarHBondContact N-OD2 3.1Å; T219-D222 WeakPolarHBondContact O-CB 3.33Å; T219-D222 PolarHBondContact O-N 2.84Å; T219-D222 VanDerWaalsContact O-N 3.08Å; T219-D222 PolarHBondContact OG1-N 3.41Å; T219-D222 PolarHBondContact OG1-OD1 2.93Å; T219-D222 PolarHBondContact OG1-OD2 3.45Å; T219-F223 PolarHBondContact O-N 3.24Å
220L82.6Confident75.4Confident120 Ų120101.8 Ų101.863%0.62851%0.511SS*.Hα-helixtrans-61-30.5173.2-172.166.1000112D222 F223 Y224L220-D222 VanDerWaalsContact C-N 3.33Å; L220-F223 PolarHBondContact O-N 2.9Å; L220-Y224 HydrophobicContact CD1-CD2 4.41Å; L220-Y224 HydrophobicContact CD1-CE2 4.01Å; L220-Y224 HydrophobicContact CD2-CE2 3.88Å; L220-Y224 HydrophobicContact CG-CD2 3.9Å; L220-Y224 HydrophobicContact CG-CE2 3.61Å; L220-Y224 WeakPolarHBondContact O-CD2 3.44Å; L220-Y224 PolarHBondContact O-N 3.36Å
221K85.7Confident76.2Confident160 Ų160102.6 Ų102.670%0.69651%0.509SS*.Hα-helixtrans-63.7-39.4174.1-177-178.1175.8-175.40111.4T219 F223 Y224 T225T219-K221 PolarHBondContact O-N 2.82Å; T219-K221 PolarHBondContact OG1-N 3.42Å; K221-F223 VanDerWaalsContact C-N 3.33Å; K221-Y224 PolarHBondContact O-N 2.93Å; K221-T225 WeakPolarHBondContact O-CB 3.33Å; K221-T225 PolarHBondContact O-N 3.5Å; K221-T225 PolarHBondContact O-OG1 2.84Å
222D81.7Confident77.2Confident54 Ų54103.1 Ų103.129%0.28951%0.512SS..Hα-helixtrans-64.6-42.2176.9-52.1-33.6000110.2L217 K218 T219 L220 T225 L226L217-D222 HydrophobicContact CD2-CB 3.87Å; K218-D222 PolarHBondContact N-OD2 2.88Å; T219-D222 WeakPolarHBondContact CB-OD2 3.21Å; T219-D222 PolarHBondContact N-OD2 3.1Å; T219-D222 WeakPolarHBondContact O-CB 3.33Å; T219-D222 PolarHBondContact O-N 2.84Å; T219-D222 VanDerWaalsContact O-N 3.08Å; T219-D222 PolarHBondContact OG1-N 3.41Å; T219-D222 PolarHBondContact OG1-OD1 2.93Å; T219-D222 PolarHBondContact OG1-OD2 3.45Å; L220-D222 VanDerWaalsContact C-N 3.33Å; D222-T225 PolarHBondContact O-N 3.16Å; D222-L226 WeakPolarHBondContact O-CB 3.5Å; D222-L226 PolarHBondContact O-N 3.38Å
223F79.8Confident77.8Confident95 Ų9597.9 Ų97.942%0.41749%0.488SS..Hα-helixtrans-60.4-49175.1178.3-97.3000111.9L217 T219 L220 K221 T225 L226 M227L217-F223 HydrophobicContact CD1-CD2 4.23Å; L217-F223 HydrophobicContact CD2-CB 4.49Å; T219-F223 PolarHBondContact O-N 3.24Å; L220-F223 PolarHBondContact O-N 2.9Å; K221-F223 VanDerWaalsContact C-N 3.33Å; F223-T225 VanDerWaalsContact C-N 3.32Å; F223-T225 PolarHBondContact O-N 2.98Å; F223-L226 PolarHBondContact O-N 3.21Å; F223-M227 HydrophobicContact CD1-CG 4.15Å; F223-M227 HydrophobicContact CD2-CG 4.5Å; F223-M227 HydrophobicContact CE1-CG 3.7Å; F223-M227 HydrophobicContact CE2-CG 4.09Å; F223-M227 HydrophobicContact CE2-SD 4.31Å; F223-M227 HydrophobicContact CZ-CG 3.67Å; F223-M227 HydrophobicContact CZ-SD 4.02Å; F223-M227 WeakPolarHBondContact O-CB 3.35Å; F223-M227 WeakPolarHBondContact O-CG 3.33Å; F223-M227 PolarHBondContact O-N 3.48Å
224Y82.8Confident78.1Confident132 Ų13299.6 Ų99.652%0.51849%0.488SS..Hα-helixtrans-61.2-41.7176.6-81.3-65.1000112.1L220 K221 L226 M227 F228L220-Y224 HydrophobicContact CD1-CD2 4.41Å; L220-Y224 HydrophobicContact CD1-CE2 4.01Å; L220-Y224 HydrophobicContact CD2-CE2 3.88Å; L220-Y224 HydrophobicContact CG-CD2 3.9Å; L220-Y224 HydrophobicContact CG-CE2 3.61Å; L220-Y224 WeakPolarHBondContact O-CD2 3.44Å; L220-Y224 PolarHBondContact O-N 3.36Å; K221-Y224 PolarHBondContact O-N 2.93Å; Y224-L226 PolarHBondContact O-N 3.4Å; Y224-M227 PolarHBondContact O-N 3.45Å; Y224-F228 WeakPolarHBondContact O-CD2 3.22Å; Y224-F228 PolarHBondContact O-N 2.79Å
225T82.7Confident78.4Confident65 Ų65101 Ų10140%0.39947%0.474SS..Hα-helixtrans-60-47.3177.5-56.60000110.8K221 D222 F223 M227 F228 Q229K221-T225 WeakPolarHBondContact O-CB 3.33Å; K221-T225 PolarHBondContact O-N 3.5Å; K221-T225 PolarHBondContact O-OG1 2.84Å; D222-T225 PolarHBondContact O-N 3.16Å; F223-T225 VanDerWaalsContact C-N 3.32Å; F223-T225 PolarHBondContact O-N 2.98Å; T225-M227 PolarHBondContact O-N 3.29Å; T225-F228 PolarHBondContact O-N 3.22Å; T225-Q229 WeakPolarHBondContact O-CG 3.39Å; T225-Q229 PolarHBondContact O-N 2.77Å
226L79.6Confident78.5Confident47 Ų47102.7 Ų102.725%0.24648%0.477CS..Hα-helixtrans-61.9-41.7176-177.666.1000112V215 L217 D222 F223 Y224 F228 Q229 T230V215-L226 HydrophobicContact CB-CD1 4.38Å; V215-L226 HydrophobicContact CG2-CD1 4.03Å; L217-L226 HydrophobicContact CD1-CD2 4.06Å; L217-L226 HydrophobicContact CD2-CB 4.26Å; L217-L226 HydrophobicContact CD2-CD2 3.98Å; L217-L226 HydrophobicContact CG-CD2 4.37Å; D222-L226 WeakPolarHBondContact O-CB 3.5Å; D222-L226 PolarHBondContact O-N 3.38Å; F223-L226 PolarHBondContact O-N 3.21Å; Y224-L226 PolarHBondContact O-N 3.4Å; L226-F228 VanDerWaalsContact C-N 3.35Å; L226-F228 PolarHBondContact O-N 2.99Å; L226-Q229 PolarHBondContact O-N 2.94Å; L226-T230 WeakPolarHBondContact O-CB 3.46Å; L226-T230 PolarHBondContact O-N 2.79Å; L226-T230 PolarHBondContact O-OG1 3.22Å
227M78Confident78Confident92 Ų9298 Ų9845%0.45346%0.456SS..Hα-helixtrans-64.9-37.8177.1-72.9-58.9-62.500112.2F223 Y224 T225 R231F223-M227 HydrophobicContact CD1-CG 4.15Å; F223-M227 HydrophobicContact CD2-CG 4.5Å; F223-M227 HydrophobicContact CE1-CG 3.7Å; F223-M227 HydrophobicContact CE2-CG 4.09Å; F223-M227 HydrophobicContact CE2-SD 4.31Å; F223-M227 HydrophobicContact CZ-CG 3.67Å; F223-M227 HydrophobicContact CZ-SD 4.02Å; F223-M227 WeakPolarHBondContact O-CB 3.35Å; F223-M227 WeakPolarHBondContact O-CG 3.33Å; F223-M227 PolarHBondContact O-N 3.48Å; Y224-M227 PolarHBondContact O-N 3.45Å; T225-M227 PolarHBondContact O-N 3.29Å; M227-R231 WeakPolarHBondContact O-CB 3.46Å; M227-R231 PolarHBondContact O-N 3.23Å
228F79.6Confident77.4Confident123 Ų12397.9 Ų97.954%0.53946%0.459SS..Hα-helixtrans-65.7-45.5173-87.4-70.5000111.8Y224 T225 L226 T230 R231 T232Y224-F228 WeakPolarHBondContact O-CD2 3.22Å; Y224-F228 PolarHBondContact O-N 2.79Å; T225-F228 PolarHBondContact O-N 3.22Å; L226-F228 VanDerWaalsContact C-N 3.35Å; L226-F228 PolarHBondContact O-N 2.99Å; F228-T230 PolarHBondContact O-N 3.43Å; F228-R231 WeakPolarHBondContact O-CB 3.45Å; F228-R231 PolarHBondContact O-N 3.08Å; F228-T232 PolarHBondContact O-N 2.76Å; F228-T232 PolarHBondContact O-OG1 3.26Å
229Q76.7Confident76.5Confident110 Ų11094.3 Ų94.351%0.51445%0.447SS..Hα-helixtrans-59.9-45.7174.7-73.3171.9-28.500111.3T225 L226 R231 T232 A233T225-Q229 WeakPolarHBondContact O-CG 3.39Å; T225-Q229 PolarHBondContact O-N 2.77Å; L226-Q229 PolarHBondContact O-N 2.94Å; Q229-R231 VanDerWaalsContact C-N 3.32Å; Q229-R231 PolarHBondContact O-N 2.9Å; Q229-T232 CarbonylContact O-C 3.6Å; Q229-T232 PolarHBondContact O-N 3.3Å; Q229-T232 VanDerWaalsContact O-N 3.11Å; Q229-A233 WeakPolarHBondContact O-CB 3.4Å; Q229-A233 PolarHBondContact O-N 3.33Å
230T74.2Confident75.4Confident49 Ų4996.5 Ų96.530%0.30145%0.446SS..Hα-helixtrans-61.5-40176.7-55.60000111.3L226 F228 R234L226-T230 WeakPolarHBondContact O-CB 3.46Å; L226-T230 PolarHBondContact O-N 2.79Å; L226-T230 PolarHBondContact O-OG1 3.22Å; F228-T230 PolarHBondContact O-N 3.43Å; T230-R234 HydrophobicContact CG2-CG 4.4Å; T230-R234 VanDerWaalsContact O-CB 3.26Å; T230-R234 WeakPolarHBondContact O-CB 3.27Å; T230-R234 VanDerWaalsContact O-CG 3.22Å; T230-R234 WeakPolarHBondContact O-CG 3.37Å; T230-R234 PolarHBondContact O-N 3.23Å
231R76.5Confident74.4Confident145 Ų14592.5 Ų92.555%0.54743%0.427SS..Hα-helixtrans-61.7-44.6173.5-179.5-174.3177-151.41.1111M227 F228 Q229 R235M227-R231 WeakPolarHBondContact O-CB 3.46Å; M227-R231 PolarHBondContact O-N 3.23Å; F228-R231 WeakPolarHBondContact O-CB 3.45Å; F228-R231 PolarHBondContact O-N 3.08Å; Q229-R231 VanDerWaalsContact C-N 3.32Å; Q229-R231 PolarHBondContact O-N 2.9Å; R231-R235 WeakPolarHBondContact O-CG 3.34Å; R231-R235 PolarHBondContact O-N 3.49Å
232T76.8Confident73.2Confident73 Ų7386 Ų8645%0.44840%0.4SS..Hα-helixtrans-64.7-49.4177.5-58.50000111.3F228 Q229 R234 R235 H236F228-T232 PolarHBondContact O-N 2.76Å; F228-T232 PolarHBondContact O-OG1 3.26Å; Q229-T232 CarbonylContact O-C 3.6Å; Q229-T232 PolarHBondContact O-N 3.3Å; Q229-T232 VanDerWaalsContact O-N 3.11Å; T232-R234 PolarHBondContact O-N 2.91Å; T232-R235 CarbonylContact O-C 3.59Å; T232-R235 WeakPolarHBondContact O-CA 3.24Å; T232-R235 WeakPolarHBondContact O-CB 3.39Å; T232-R235 PolarHBondContact O-N 2.92Å; T232-H236 PolarHBondContact O-CD2 3.33Å; T232-H236 PolarHBondContact O-N 2.81Å
233A69.3Low72.2Confident15 Ų1588.4 Ų88.412%0.12441%0.408CS..Hα-helixtrans-57.7-45.117600000112.1V211 Q229 R235 H236 I237V211-A233 HydrophobicContact CB-CB 4.43Å; V211-A233 HydrophobicContact CG1-CB 4.08Å; V211-A233 HydrophobicContact CG2-CB 3.7Å; Q229-A233 WeakPolarHBondContact O-CB 3.4Å; Q229-A233 PolarHBondContact O-N 3.33Å; A233-R235 VanDerWaalsContact C-N 3.3Å; A233-R235 PolarHBondContact O-N 3.22Å; A233-H236 WeakPolarHBondContact O-CB 3.34Å; A233-H236 PolarHBondContact O-N 3.14Å; A233-H236 VanDerWaalsContact O-N 3.1Å; A233-I237 WeakPolarHBondContact O-CG1 3.17Å; A233-I237 PolarHBondContact O-N 2.79Å
234R68.6Low71Confident172 Ų17284.4 Ų84.465%0.64939%0.394SS*.Hα-helixtrans-59.7-39.8174-77.8177.7176.7-174-0112T230 T232 I237 V238T230-R234 HydrophobicContact CG2-CG 4.4Å; T230-R234 VanDerWaalsContact O-CB 3.26Å; T230-R234 WeakPolarHBondContact O-CB 3.27Å; T230-R234 VanDerWaalsContact O-CG 3.22Å; T230-R234 WeakPolarHBondContact O-CG 3.37Å; T230-R234 PolarHBondContact O-N 3.23Å; T232-R234 PolarHBondContact O-N 2.91Å; R234-I237 PolarHBondContact O-N 3.26Å; R234-V238 WeakPolarHBondContact O-CB 3.45Å; R234-V238 VanDerWaalsContact O-CG2 3.24Å; R234-V238 WeakPolarHBondContact O-CG2 3.4Å; R234-V238 PolarHBondContact O-N 3.13Å
235R70.9Confident69.3Low156 Ų15682.4 Ų82.459%0.58939%0.388SS*.Hα-helixtrans-65.4-38.5174-72.3177.675.6169.76111.9R231 T232 A233 V238 D239R231-R235 WeakPolarHBondContact O-CG 3.34Å; R231-R235 PolarHBondContact O-N 3.49Å; T232-R235 CarbonylContact O-C 3.59Å; T232-R235 WeakPolarHBondContact O-CA 3.24Å; T232-R235 WeakPolarHBondContact O-CB 3.39Å; T232-R235 PolarHBondContact O-N 2.92Å; A233-R235 VanDerWaalsContact C-N 3.3Å; A233-R235 PolarHBondContact O-N 3.22Å; R235-V238 PolarHBondContact O-N 2.69Å; R235-D239 WeakPolarHBondContact O-CB 3.42Å; R235-D239 PolarHBondContact O-N 2.77Å
236H69.9Low67.6Low103 Ų10385.3 Ų85.348%0.47741%0.408SS..Hα-helixtrans-65.6-41.7175.8-78.1-137.3000112T232 A233 D239 R240T232-H236 PolarHBondContact O-CD2 3.33Å; T232-H236 PolarHBondContact O-N 2.81Å; A233-H236 WeakPolarHBondContact O-CB 3.34Å; A233-H236 PolarHBondContact O-N 3.14Å; A233-H236 VanDerWaalsContact O-N 3.1Å; H236-D239 PolarHBondContact O-N 3.07Å; H236-R240 WeakPolarHBondContact O-CB 3.16Å; H236-R240 WeakPolarHBondContact O-CG 3.45Å; H236-R240 PolarHBondContact O-N 3.1Å
237I67Low65.8Low39 Ų3992.6 Ų92.620%0.245%0.445CS..Hα-helixtrans-61.3-49.7173.8-67.6165.6000109.9F202 W207 A233 R234 D239 R240 V241F202-I237 HydrophobicContact CE2-CD1 4.21Å; W207-I237 HydrophobicContact CH2-CD1 4.19Å; W207-I237 HydrophobicContact CH2-CG1 3.67Å; W207-I237 HydrophobicContact CZ3-CD1 4.17Å; W207-I237 HydrophobicContact CZ3-CG1 3.79Å; A233-I237 WeakPolarHBondContact O-CG1 3.17Å; A233-I237 PolarHBondContact O-N 2.79Å; R234-I237 PolarHBondContact O-N 3.26Å; I237-D239 VanDerWaalsContact C-N 3.31Å; I237-D239 PolarHBondContact O-N 3.05Å; I237-R240 PolarHBondContact O-N 2.9Å; I237-V241 HydrophobicContact CG2-CG2 4Å; I237-V241 VanDerWaalsContact O-CB 3.32Å; I237-V241 WeakPolarHBondContact O-CB 3.2Å; I237-V241 WeakPolarHBondContact O-CG2 3.4Å; I237-V241 PolarHBondContact O-N 2.82Å
238V67.3Low65.1Low80 Ų8092.6 Ų92.649%0.48545%0.445SS..Hα-helixtrans-58.2-46.4177171.30000110.1R234 R235 R240 V241 V242R234-V238 WeakPolarHBondContact O-CB 3.45Å; R234-V238 VanDerWaalsContact O-CG2 3.24Å; R234-V238 WeakPolarHBondContact O-CG2 3.4Å; R234-V238 PolarHBondContact O-N 3.13Å; R235-V238 PolarHBondContact O-N 2.69Å; V238-R240 PolarHBondContact O-N 3.12Å; V238-V241 PolarHBondContact O-N 3.27Å; V238-V242 HydrophobicContact CG1-CB 4.5Å; V238-V242 HydrophobicContact CG1-CG2 3.73Å; V238-V242 WeakPolarHBondContact O-CA 3.42Å; V238-V242 WeakPolarHBondContact O-CB 2.96Å; V238-V242 WeakPolarHBondContact O-CG2 3.48Å; V238-V242 PolarHBondContact O-N 3.09Å
239D68.2Low64.4Low74 Ų7491 Ų9140%0.39644%0.44SS..Hα-helixtrans-59.6-43.5177.7-9019000112.6R235 H236 I237 K243R235-D239 WeakPolarHBondContact O-CB 3.42Å; R235-D239 PolarHBondContact O-N 2.77Å; H236-D239 PolarHBondContact O-N 3.07Å; I237-D239 VanDerWaalsContact C-N 3.31Å; I237-D239 PolarHBondContact O-N 3.05Å; D239-K243 HydrophobicContact CB-CD 4.42Å; D239-K243 VanDerWaalsContact CG-NZ 3.3Å; D239-K243 WeakPolarHBondContact O-CB 3.44Å; D239-K243 VanDerWaalsContact O-CG 3.24Å; D239-K243 WeakPolarHBondContact O-CG 3.19Å; D239-K243 PolarHBondContact O-N 2.72Å; D239-K243 IonicContact OD1-NZ 2.81Å; D239-K243 IonicContact OD2-NZ 2.98Å; D239-K243 PolarHBondContact OD2-NZ 2.96Å
240R64.6Low63.7Low122 Ų12289.9 Ų89.946%0.4644%0.436SS..Hα-helixtrans-67.7-43.8177.9-76.4-91.5-173.2152.42.4112.5H236 I237 V238H236-R240 WeakPolarHBondContact O-CB 3.16Å; H236-R240 WeakPolarHBondContact O-CG 3.45Å; H236-R240 PolarHBondContact O-N 3.1Å; I237-R240 PolarHBondContact O-N 2.9Å; V238-R240 PolarHBondContact O-N 3.12Å
241V62.6Low63.1Low36 Ų3692.4 Ų92.422%0.21844%0.444CS..Hα-helixtrans-75.8-39.9-176.5175.30000111.2M111 Q138 I237 V238M111-V241 HydrophobicContact CE-CG1 3.81Å; Q138-V241 PolarHBondContact NE2-O 3.1Å; Q138-V241 VanDerWaalsContact NE2-O 3.12Å; I237-V241 HydrophobicContact CG2-CG2 4Å; I237-V241 VanDerWaalsContact O-CB 3.32Å; I237-V241 WeakPolarHBondContact O-CB 3.2Å; I237-V241 WeakPolarHBondContact O-CG2 3.4Å; I237-V241 PolarHBondContact O-N 2.82Å; V238-V241 PolarHBondContact O-N 3.27Å
242V59.9Low62.3Low23 Ų2389.1 Ų89.114%0.13944%0.437CS..Hα-helixtrans-78.1-48.9-178.2177.10000110.6Q137 Q138 S141 V238 G244Q137-V242 VanDerWaalsContact C-CG1 3.49Å; Q137-V242 HydrophobicContact CB-CG1 3.65Å; Q137-V242 WeakPolarHBondContact O-CG1 3.36Å; Q138-V242 WeakPolarHBondContact CA-O 2.92Å; Q138-V242 VanDerWaalsContact CB-O 3.32Å; Q138-V242 WeakPolarHBondContact CB-O 3.4Å; Q138-V242 VanDerWaalsContact CG-O 3.27Å; Q138-V242 WeakPolarHBondContact CG-O 3.31Å; S141-V242 PolarHBondContact OG-O 3.08Å; V238-V242 HydrophobicContact CG1-CB 4.5Å; V238-V242 HydrophobicContact CG1-CG2 3.73Å; V238-V242 WeakPolarHBondContact O-CA 3.42Å; V238-V242 WeakPolarHBondContact O-CB 2.96Å; V238-V242 WeakPolarHBondContact O-CG2 3.48Å; V238-V242 PolarHBondContact O-N 3.09Å; V242-G244 PolarHBondContact O-N 2.94Å; V242-G244 VanDerWaalsContact O-N 3.14Å
243K61.7Low61.3Low105 Ų10590.1 Ų90.146%0.45744%0.437SS..Hα-helixtrans-67.6-22.2-170.7-66.8174.9-178.4167.90114.5S141 S142 D239S141-K243 WeakPolarHBondContact OG-CA 3.43Å; S142-K243 PolarHBondContact OG-O 3Å; D239-K243 HydrophobicContact CB-CD 4.42Å; D239-K243 VanDerWaalsContact CG-NZ 3.3Å; D239-K243 WeakPolarHBondContact O-CB 3.44Å; D239-K243 VanDerWaalsContact O-CG 3.24Å; D239-K243 WeakPolarHBondContact O-CG 3.19Å; D239-K243 PolarHBondContact O-N 2.72Å; D239-K243 IonicContact OD1-NZ 2.81Å; D239-K243 IonicContact OD2-NZ 2.98Å; D239-K243 PolarHBondContact OD2-NZ 2.96Å
244G53.4Low60.7Low12 Ų1295.5 Ų95.512%0.12446%0.459CS..  trans60.6170.7-165.200000111V242V242-G244 PolarHBondContact O-N 2.94Å; V242-G244 VanDerWaalsContact O-N 3.14Å
245F47.7Very low60.1Low89 Ų8989.6 Ų89.639%0.3944%0.444SS..  trans-94.6135169.7-67.9-88.8000108.6I247F245-I247 PolarHBondContact O-N 2.91Å
246P48Very low59.2Low126 Ų12684.1 Ų84.182%0.81843%0.432SS*.  trans-58.4133.1166.924.6-30.4000108.6
247I40.1Very low58.2Low200 Ų20082.4 Ų82.4100%1.02643%0.428SS*.  trans-73.30168.5-58.5172.5000108.2A192 F245A192-I247 HydrophobicContact CB-CD1 4.42Å; F245-I247 PolarHBondContact O-N 2.91Å

Retrieved 247 of 247 residues in 281.8 ms (Link to these results)

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