A0A087Y1W4_POEFO Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A087Y1W4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 300 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
1M49.5Very low64.1Low227 Ų22789.6 Ų89.6100%1.11850%0.502SS*.  0117.50-82.9173.9173.300106.4
2S59Low65.6Low95 Ų9589.9 Ų89.966%0.66451%0.514SS*.  trans-64.6148.517350.90000110.3D4S2-D4 PolarHBondContact O-N 3.09Å
3L66.1Low67.6Low20 Ų2088.7 Ų88.711%0.10550%0.496CS..  trans-70.8125178.6-68.5165.3000110.9F5 Y81 E82 L94 V95L3-F5 HydrophobicContact CB-CD2 3.96Å; L3-F5 HydrophobicContact CB-CE2 3.31Å; L3-F5 HydrophobicContact CB-CZ 3.66Å; L3-F5 HydrophobicContact CD1-CE2 3.95Å; L3-F5 HydrophobicContact CD1-CZ 3.57Å; L3-F5 HydrophobicContact CG-CE2 4.26Å; L3-F5 HydrophobicContact CG-CZ 4.2Å; L3-F5 PolarHBondContact O-N 3.41Å; L3-Y81 HydrophobicContact CD1-CD2 4.23Å; L3-Y81 HydrophobicContact CD1-CE2 4.38Å; L3-E82 PolarHBondContact N-OE1 3.22Å; L3-L94 HydrophobicContact CD2-CB 4.23Å; L3-V95 HydrophobicContact CD2-CB 4.06Å
4D68.2Low69.4Low74 Ų7484.8 Ų84.840%0.39648%0.477SS..  trans-97.484.7177.5177.815.6000111.8S2 S6 L94S2-D4 PolarHBondContact O-N 3.09Å; D4-S6 VanDerWaalsContact CG-OG 3.3Å; D4-S6 PolarHBondContact O-N 3.44Å; D4-S6 VanDerWaalsContact O-N 3.15Å; D4-S6 VanDerWaalsContact OD1-CB 3.27Å; D4-S6 WeakPolarHBondContact OD1-CB 3.49Å; D4-S6 PolarHBondContact OD1-N 3.15Å; D4-S6 VanDerWaalsContact OD1-N 3.15Å; D4-S6 PolarHBondContact OD1-OG 3.05Å; D4-S6 PolarHBondContact OD2-OG 3.14Å; D4-L94 VanDerWaalsContact O-CD2 3.24Å; D4-L94 WeakPolarHBondContact O-CD2 3.46Å
5F69.8Low71.1Confident16 Ų1691.3 Ų91.37%0.0750%0.498CS..G310 helixtrans-71-2.3-178.7-64.5-84000114.7L3 K7 M8 Y81 I91 L94 L250 P251L3-F5 HydrophobicContact CB-CD2 3.96Å; L3-F5 HydrophobicContact CB-CE2 3.31Å; L3-F5 HydrophobicContact CB-CZ 3.66Å; L3-F5 HydrophobicContact CD1-CE2 3.95Å; L3-F5 HydrophobicContact CD1-CZ 3.57Å; L3-F5 HydrophobicContact CG-CE2 4.26Å; L3-F5 HydrophobicContact CG-CZ 4.2Å; L3-F5 PolarHBondContact O-N 3.41Å; F5-K7 PolarHBondContact O-N 2.72Å; F5-M8 PolarHBondContact O-N 2.98Å; F5-Y81 HydrophobicContact CE2-CE2 4.13Å; F5-I91 HydrophobicContact CD1-CD1 4.49Å; F5-I91 HydrophobicContact CE1-CD1 3.96Å; F5-L94 HydrophobicContact CD1-CD1 3.44Å; F5-L94 VanDerWaalsContact CD1-CD1 3.44Å; F5-L94 HydrophobicContact CE1-CD1 3.55Å; F5-L94 HydrophobicContact CG-CD1 4.23Å; F5-L94 HydrophobicContact CZ-CD1 4.4Å; F5-L250 HydrophobicContact CD1-CD2 4.44Å; F5-L250 HydrophobicContact CD2-CD2 3.64Å; F5-L250 HydrophobicContact CE1-CD2 4.06Å; F5-L250 HydrophobicContact CE2-CD2 3.16Å; F5-L250 HydrophobicContact CG-CD2 4.25Å; F5-L250 HydrophobicContact CZ-CD2 3.41Å; F5-L250 VanDerWaalsContact CZ-CD2 3.41Å; F5-P251 HydrophobicContact CB-CG 3.39Å; F5-P251 HydrophobicContact CG-CG 4.41Å
6S63.9Low72.8Confident96 Ų9687.8 Ų87.867%0.67148%0.478SS*.G310 helixtrans-64.9-18.2178.769.80000113.4D4D4-S6 VanDerWaalsContact CG-OG 3.3Å; D4-S6 PolarHBondContact O-N 3.44Å; D4-S6 VanDerWaalsContact O-N 3.15Å; D4-S6 VanDerWaalsContact OD1-CB 3.27Å; D4-S6 WeakPolarHBondContact OD1-CB 3.49Å; D4-S6 PolarHBondContact OD1-N 3.15Å; D4-S6 VanDerWaalsContact OD1-N 3.15Å; D4-S6 PolarHBondContact OD1-OG 3.05Å; D4-S6 PolarHBondContact OD2-OG 3.14Å
7K61.2Low74.2Confident143 Ų14387.3 Ų87.362%0.62247%0.47SS*.G310 helixtrans-95.42.4-178.9-60.1-177-176.4176.60114.2F5 D9F5-K7 PolarHBondContact O-N 2.72Å; K7-D9 PolarHBondContact O-N 3.48Å
8M67.4Low75.6Confident32 Ų3288.7 Ų88.716%0.15848%0.478CS..  trans-80.2119.4-179-167.6170172.900110.4F5 V10 I91 V154 V252F5-M8 PolarHBondContact O-N 2.98Å; M8-V10 HydrophobicContact CE-CG1 4.4Å; M8-V10 HydrophobicContact CG-CG1 4.03Å; M8-V10 PolarHBondContact O-N 3.48Å; M8-V10 HydrophobicContact SD-CG1 4.36Å; M8-I91 HydrophobicContact CE-CD1 4.25Å; M8-I91 HydrophobicContact CE-CG1 4.18Å; M8-I91 HydrophobicContact CE-CG2 3.94Å; M8-I91 HydrophobicContact CG-CG2 3.82Å; M8-I91 HydrophobicContact SD-CD1 3.88Å; M8-I91 HydrophobicContact SD-CG1 4.26Å; M8-I91 HydrophobicContact SD-CG2 3.54Å; M8-I91 VanDerWaalsContact SD-CG2 3.54Å; M8-V154 HydrophobicContact CE-CB 4.03Å; M8-V154 HydrophobicContact CE-CG1 3.38Å; M8-V154 HydrophobicContact SD-CG1 4.11Å; M8-V252 HydrophobicContact CB-CG1 4.46Å; M8-V252 HydrophobicContact CG-CG1 4.45Å; M8-V252 HydrophobicContact SD-CG1 3.59Å; M8-V252 VanDerWaalsContact SD-CG1 3.59Å
9D66.9Low76.8Confident126 Ų12685.6 Ų85.667%0.67446%0.46SS*.  trans-72.6108.7169.6-176.78.5000109.4K7 S11K7-D9 PolarHBondContact O-N 3.48Å; D9-S11 WeakPolarHBondContact OD1-CB 3.45Å; D9-S11 PolarHBondContact OD1-N 3.33Å; D9-S11 PolarHBondContact OD1-OG 2.95Å; D9-S11 PolarHBondContact OD2-OG 2.86Å
10V67.1Low77.8Confident58 Ų5887.7 Ų87.735%0.35247%0.466SS..  trans-11118.8176.4-66.50000111.7M8 S12 N153 V252M8-V10 HydrophobicContact CE-CG1 4.4Å; M8-V10 HydrophobicContact CG-CG1 4.03Å; M8-V10 PolarHBondContact O-N 3.48Å; M8-V10 HydrophobicContact SD-CG1 4.36Å; V10-S12 PolarHBondContact O-N 3.37Å; V10-N153 HydrophobicContact CB-CB 4.18Å; V10-N153 HydrophobicContact CG1-CB 4.43Å; V10-V252 HydrophobicContact CG1-CB 4.42Å; V10-V252 HydrophobicContact CG1-CG1 4.01Å
11S65.5Low78.7Confident99 Ų9986.3 Ų86.369%0.69247%0.473SS*.SBendtrans-64.9-21.9-176.5620000113.8D9D9-S11 WeakPolarHBondContact OD1-CB 3.45Å; D9-S11 PolarHBondContact OD1-N 3.33Å; D9-S11 PolarHBondContact OD1-OG 2.95Å; D9-S11 PolarHBondContact OD2-OG 2.86Å
12S82.1Confident81Confident93 Ų9376 Ų7665%0.6542%0.423SS*.SBendtrans-139.9141.2176.563.80000112.2V10V10-S12 PolarHBondContact O-N 3.37Å
13R91.9Very high82.9Confident74 Ų7472.2 Ų72.228%0.27940%0.397SS..PPolyproline II helixtrans-79.1137.4176.8-72179169.7-100.54.4110.3D149 C150 N152 N153 Q155 P156R13-D149 PolarHBondContact NH1-O 2.75Å; R13-D149 PolarHBondContact NH2-O 3.19Å; R13-D149 VanDerWaalsContact NH2-O 3.15Å; R13-C150 PolarHBondContact NH2-O 2.93Å; R13-N152 PolarHBondContact NH1-O 3.42Å; R13-N153 PolarHBondContact NH2-OD1 2.91Å; R13-Q155 WeakPolarHBondContact CG-O 3.26Å; R13-Q155 PolarHBondContact NH1-O 3.38Å; R13-P156 PolarHBondContact NH1-O 3Å
14P93.4Very high84.4Confident34 Ų3471.3 Ų71.322%0.22139%0.392CS..PPolyproline II helixtrans-67.6156.4-178.828.9-35.6000111.7I25 V154 P156P14-I25 HydrophobicContact CB-CB 4.24Å; P14-I25 HydrophobicContact CB-CG2 4.03Å; P14-I25 HydrophobicContact CG-CB 4.32Å; P14-I25 HydrophobicContact CG-CD1 4.1Å; P14-I25 HydrophobicContact CG-CG2 4.02Å; P14-V154 VanDerWaalsContact CG-O 3.28Å; P14-V154 WeakPolarHBondContact CG-O 3.29Å; P14-P156 WeakPolarHBondContact O-CA 3.45Å; P14-P156 WeakPolarHBondContact O-CB 3.13Å
15K94.8Very high85.8Confident182 Ų18267.8 Ų67.879%0.79137%0.373SS*.PPolyproline II helixtrans-97.4147.1169.2-64.8-175.2179.9-178.30109.9
16L97.2Very high87Confident36 Ų3670.2 Ų70.219%0.18839%0.391CS..PPolyproline II helixtrans-67.2148.5169.5-67.7170.9000110A23 M24 I25 P156 D172 V174L16-A23 HydrophobicContact CD2-CB 4.33Å; L16-M24 WeakPolarHBondContact CA-O 3.33Å; L16-I25 HydrophobicContact CD2-CG2 3.97Å; L16-P156 HydrophobicContact CD2-CG 4.02Å; L16-P156 HydrophobicContact CG-CG 3.99Å; L16-D172 WeakPolarHBondContact CD1-O 3.1Å; L16-D172 WeakPolarHBondContact CD1-OD1 3.42Å; L16-V174 HydrophobicContact CD2-CB 4.37Å; L16-V174 HydrophobicContact CD2-CG2 3.6Å
17F97.9Very high88.5Confident79 Ų7966.8 Ų66.835%0.34637%0.365SS..EExtended strand (participates in β ladder)trans-143.8156.1167.370.6-80.6000109.5F19 M24 P26 T29F17-F19 HydrophobicContact CD2-CB 4.41Å; F17-F19 HydrophobicContact CE2-CB 3.8Å; F17-F19 AromaticContact CE2-CD2 3.89Å; F17-F19 HydrophobicContact CE2-CD2 3.89Å; F17-F19 HydrophobicContact CE2-CG 4.26Å; F17-F19 HydrophobicContact CZ-CB 4.27Å; F17-F19 HydrophobicContact CZ-CD2 4.33Å; F17-F19 PolarHBondContact O-N 2.8Å; F17-M24 WeakPolarHBondContact CD1-O 3.31Å; F17-M24 PolarHBondContact N-O 3.44Å; F17-M24 VanDerWaalsContact N-O 3.07Å; F17-M24 PolarHBondContact O-N 3.43Å; F17-P26 HydrophobicContact CE1-CG 4.17Å; F17-T29 HydrophobicContact CZ-CG2 4.07Å; F17-T29 WeakPolarHBondContact CZ-OG1 3.37Å
18D98.2Very high90.2Very high113 Ų11360.4 Ų60.460%0.60434%0.337SS*.EExtended strand (participates in β ladder)trans-70.7122.6174.3-173.5-87.7000110.1G21D18-G21 PolarHBondContact OD1-N 3.2Å; D18-G21 WeakPolarHBondContact OD2-CA 3.21Å; D18-G21 PolarHBondContact OD2-N 3.35Å
19F98.3Very high91.6Very high30 Ų3059.8 Ų59.813%0.13234%0.335CS..EExtended strand (participates in β ladder)trans-123.9100.9172.7-173.6-105.7000108.5F17 G21 V22 M24 T29 W32 F119F17-F19 HydrophobicContact CD2-CB 4.41Å; F17-F19 HydrophobicContact CE2-CB 3.8Å; F17-F19 AromaticContact CE2-CD2 3.89Å; F17-F19 HydrophobicContact CE2-CD2 3.89Å; F17-F19 HydrophobicContact CE2-CG 4.26Å; F17-F19 HydrophobicContact CZ-CB 4.27Å; F17-F19 HydrophobicContact CZ-CD2 4.33Å; F17-F19 PolarHBondContact O-N 2.8Å; F19-G21 VanDerWaalsContact C-N 3.29Å; F19-G21 PolarHBondContact O-N 3.07Å; F19-V22 PolarHBondContact N-O 2.78Å; F19-V22 PolarHBondContact O-N 2.66Å; F19-V22 VanDerWaalsContact O-N 3.13Å; F19-M24 HydrophobicContact CB-CB 3.82Å; F19-M24 HydrophobicContact CB-CG 3.82Å; F19-M24 HydrophobicContact CD1-CG 4.3Å; F19-M24 HydrophobicContact CG-CG 4.46Å; F19-T29 HydrophobicContact CB-CG2 4.24Å; F19-T29 HydrophobicContact CD1-CG2 3.62Å; F19-T29 HydrophobicContact CD2-CG2 3.95Å; F19-T29 HydrophobicContact CE1-CG2 3.86Å; F19-T29 HydrophobicContact CE2-CG2 4.18Å; F19-T29 HydrophobicContact CG-CG2 3.65Å; F19-T29 HydrophobicContact CZ-CG2 4.14Å; F19-W32 AromaticContact CE1-CD2 3.63Å; F19-W32 HydrophobicContact CE1-CD2 3.63Å; F19-W32 AromaticContact CE1-CE2 3.87Å; F19-W32 AromaticContact CE1-CE3 3.63Å; F19-W32 HydrophobicContact CE1-CE3 3.63Å; F19-W32 HydrophobicContact CE1-CG 4.2Å; F19-W32 HydrophobicContact CE1-CH2 4.09Å; F19-W32 HydrophobicContact CE1-CZ2 4.11Å; F19-W32 AromaticContact CE1-CZ3 3.87Å; F19-W32 HydrophobicContact CE1-CZ3 3.87Å; F19-W32 HydrophobicContact CZ-CB 4.09Å; F19-W32 AromaticContact CZ-CD1 3.93Å; F19-W32 AromaticContact CZ-CD2 3.54Å; F19-W32 HydrophobicContact CZ-CD2 3.54Å; F19-W32 AromaticContact CZ-CE2 3.85Å; F19-W32 AromaticContact CZ-CE3 3.97Å; F19-W32 HydrophobicContact CZ-CE3 3.97Å; F19-W32 AromaticContact CZ-CG 3.6Å; F19-W32 HydrophobicContact CZ-CG 3.6Å; F19-F119 HydrophobicContact CD1-CE2 4.07Å; F19-F119 HydrophobicContact CD1-CZ 4.14Å; F19-F119 WeakPolarHBondContact O-CZ 3.47Å
20H97.1Very high92.9Very high127 Ų12757.5 Ų57.559%0.58833%0.333SS*.THydrogen-bonded Turntrans53.342.4-177.5-54.2-59.4000113.3F119H20-F119 HydrophobicContact CB-CE1 3.94Å; H20-F119 HydrophobicContact CB-CZ 3.97Å
21G97.1Very high94.3Very high59 Ų5956.1 Ų56.161%0.60832%0.324SS*.THydrogen-bonded Turntrans81.311179.600000114.9D18 F19D18-G21 PolarHBondContact OD1-N 3.2Å; D18-G21 WeakPolarHBondContact OD2-CA 3.21Å; D18-G21 PolarHBondContact OD2-N 3.35Å; F19-G21 VanDerWaalsContact C-N 3.29Å; F19-G21 PolarHBondContact O-N 3.07Å
22V98.4Very high95.8Very high11 Ų1153.1 Ų53.17%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-127.1129.8178.3-1780000109.1F19 M24 P116 F119 F175F19-V22 PolarHBondContact N-O 2.78Å; F19-V22 PolarHBondContact O-N 2.66Å; F19-V22 VanDerWaalsContact O-N 3.13Å; V22-M24 HydrophobicContact CB-CG 4.41Å; V22-M24 HydrophobicContact CG1-CG 4.12Å; V22-M24 HydrophobicContact CG1-SD 4.11Å; V22-M24 WeakPolarHBondContact O-CG 3.02Å; V22-M24 PolarHBondContact O-N 2.92Å; V22-P116 HydrophobicContact CG1-CG 4.42Å; V22-P116 HydrophobicContact CG2-CG 4.22Å; V22-F119 HydrophobicContact CB-CE2 3.69Å; V22-F119 HydrophobicContact CB-CZ 3.77Å; V22-F119 HydrophobicContact CG1-CE2 4.06Å; V22-F119 HydrophobicContact CG2-CE1 4.38Å; V22-F119 HydrophobicContact CG2-CE2 3.72Å; V22-F119 HydrophobicContact CG2-CZ 3.49Å; V22-F119 VanDerWaalsContact CG2-CZ 3.49Å; V22-F175 VanDerWaalsContact CG1-C 3.48Å
23A98.3Very high96.5Very high15 Ų1554.7 Ų54.712%0.12430%0.295CS..EExtended strand (participates in β ladder)trans-67120.3174.500000110.5L16 M173 V174 F175L16-A23 HydrophobicContact CD2-CB 4.33Å; A23-M173 VanDerWaalsContact CB-O 3.31Å; A23-M173 WeakPolarHBondContact CB-O 3.36Å; A23-M173 VanDerWaalsContact O-O 3.05Å; A23-V174 WeakPolarHBondContact O-CA 3.48Å; A23-F175 PolarHBondContact O-N 2.77Å
24M98.3Very high96.8Very high0 Ų055.2 Ų55.20%030%0.303CS..EExtended strand (participates in β ladder)trans-136171-173.2-68.8-66.4-8100111.6L16 F17 F19 V22 F28 T29 F115 F119 F175L16-M24 WeakPolarHBondContact CA-O 3.33Å; F17-M24 WeakPolarHBondContact CD1-O 3.31Å; F17-M24 PolarHBondContact N-O 3.44Å; F17-M24 VanDerWaalsContact N-O 3.07Å; F17-M24 PolarHBondContact O-N 3.43Å; F19-M24 HydrophobicContact CB-CB 3.82Å; F19-M24 HydrophobicContact CB-CG 3.82Å; F19-M24 HydrophobicContact CD1-CG 4.3Å; F19-M24 HydrophobicContact CG-CG 4.46Å; V22-M24 HydrophobicContact CB-CG 4.41Å; V22-M24 HydrophobicContact CG1-CG 4.12Å; V22-M24 HydrophobicContact CG1-SD 4.11Å; V22-M24 WeakPolarHBondContact O-CG 3.02Å; V22-M24 PolarHBondContact O-N 2.92Å; M24-F28 HydrophobicContact CE-CB 3.56Å; M24-T29 HydrophobicContact CB-CG2 3.81Å; M24-T29 HydrophobicContact CE-CG2 3.95Å; M24-T29 HydrophobicContact CG-CG2 4.22Å; M24-F115 HydrophobicContact CE-CD1 4.48Å; M24-F115 HydrophobicContact CE-CE1 4.05Å; M24-F119 HydrophobicContact CG-CE2 4.5Å; M24-F175 HydrophobicContact CE-CD1 4.04Å; M24-F175 HydrophobicContact CE-CE1 3.91Å; M24-F175 HydrophobicContact SD-CD1 3.83Å; M24-F175 HydrophobicContact SD-CE1 4.25Å; M24-F175 HydrophobicContact SD-CG 4.36Å
25I96.9Very high97Very high0 Ų053.7 Ų53.70%029%0.293CS..  trans-125.9155.4171.155.5172.6000110.7P14 L16 I27 F28 V154 P156 V174P14-I25 HydrophobicContact CB-CB 4.24Å; P14-I25 HydrophobicContact CB-CG2 4.03Å; P14-I25 HydrophobicContact CG-CB 4.32Å; P14-I25 HydrophobicContact CG-CD1 4.1Å; P14-I25 HydrophobicContact CG-CG2 4.02Å; L16-I25 HydrophobicContact CD2-CG2 3.97Å; I25-I27 HydrophobicContact CD1-CD1 3.74Å; I25-I27 HydrophobicContact CD1-CG1 3.59Å; I25-I27 HydrophobicContact CG1-CD1 4.48Å; I25-I27 HydrophobicContact CG1-CG1 3.81Å; I25-I27 PolarHBondContact O-N 3.03Å; I25-I27 VanDerWaalsContact O-N 3.08Å; I25-F28 HydrophobicContact CD1-CD2 4.01Å; I25-F28 HydrophobicContact CD1-CE2 3.71Å; I25-F28 HydrophobicContact CG1-CD2 3.52Å; I25-F28 HydrophobicContact CG1-CE2 3.78Å; I25-F28 HydrophobicContact CG1-CG 4.49Å; I25-F28 PolarHBondContact O-N 3.14Å; I25-V154 WeakPolarHBondContact CD1-O 3.46Å; I25-P156 HydrophobicContact CG2-CG 3.84Å; I25-V174 HydrophobicContact CD1-CG1 4.41Å; I25-V174 HydrophobicContact CD1-CG2 4.25Å; I25-V174 HydrophobicContact CG1-CG1 3.95Å; I25-V174 HydrophobicContact CG1-CG2 4.25Å; I25-V174 HydrophobicContact CG2-CG2 3.96Å
26P95.4Very high97.2Very high68 Ų6847 Ų4744%0.44227%0.265SS..G310 helixtrans-56.3-33.6-170.4-29.936.8000114.8F17 F28 T29 A30F17-P26 HydrophobicContact CE1-CG 4.17Å; P26-F28 PolarHBondContact O-N 3.18Å; P26-T29 PolarHBondContact O-N 3.4Å; P26-T29 VanDerWaalsContact O-N 3.07Å; P26-T29 PolarHBondContact O-OG1 2.89Å; P26-A30 WeakPolarHBondContact O-CB 3.46Å; P26-A30 PolarHBondContact O-N 3.38Å
27I94.7Very high97.2Very high24 Ų2450 Ų5012%0.12328%0.281CS..G310 helixtrans-63.6-14.9-178.865.5168.9000113.8I25 T90 V154I25-I27 HydrophobicContact CD1-CD1 3.74Å; I25-I27 HydrophobicContact CD1-CG1 3.59Å; I25-I27 HydrophobicContact CG1-CD1 4.48Å; I25-I27 HydrophobicContact CG1-CG1 3.81Å; I25-I27 PolarHBondContact O-N 3.03Å; I25-I27 VanDerWaalsContact O-N 3.08Å; I27-T90 VanDerWaalsContact CA-O 3.3Å; I27-T90 WeakPolarHBondContact CA-O 3.27Å; I27-T90 WeakPolarHBondContact CB-O 3.32Å; I27-T90 PolarHBondContact O-N 3.22Å; I27-V154 HydrophobicContact CD1-CB 4.15Å; I27-V154 HydrophobicContact CD1-CG2 3.92Å
28F97.1Very high97.2Very high9 Ų946.3 Ų46.34%0.03927%0.265CS..G310 helixtrans-107-3.2177.8-58.4-47.4000113.6M24 I25 P26 F86 E88 M89 V174 F175M24-F28 HydrophobicContact CE-CB 3.56Å; I25-F28 HydrophobicContact CD1-CD2 4.01Å; I25-F28 HydrophobicContact CD1-CE2 3.71Å; I25-F28 HydrophobicContact CG1-CD2 3.52Å; I25-F28 HydrophobicContact CG1-CE2 3.78Å; I25-F28 HydrophobicContact CG1-CG 4.49Å; I25-F28 PolarHBondContact O-N 3.14Å; P26-F28 PolarHBondContact O-N 3.18Å; F28-F86 HydrophobicContact CD1-CE2 4.41Å; F28-F86 HydrophobicContact CD1-CZ 4.35Å; F28-F86 HydrophobicContact CE1-CD2 4.3Å; F28-F86 AromaticContact CE1-CE2 3.45Å; F28-F86 HydrophobicContact CE1-CE2 3.45Å; F28-F86 VanDerWaalsContact CE1-CE2 3.45Å; F28-F86 AromaticContact CE1-CZ 3.73Å; F28-F86 HydrophobicContact CE1-CZ 3.73Å; F28-F86 AromaticContact CZ-CE2 3.84Å; F28-F86 HydrophobicContact CZ-CE2 3.84Å; F28-F86 HydrophobicContact CZ-CZ 4.14Å; F28-E88 WeakPolarHBondContact CA-O 3.12Å; F28-E88 HydrophobicContact CB-CG 4.32Å; F28-E88 HydrophobicContact CD1-CG 3.81Å; F28-E88 HydrophobicContact CG-CG 4.33Å; F28-M89 HydrophobicContact CE1-CB 4.33Å; F28-M89 HydrophobicContact CE1-CG 4.42Å; F28-V174 HydrophobicContact CD2-CG1 3.64Å; F28-V174 HydrophobicContact CE2-CG1 3.73Å; F28-F175 HydrophobicContact CB-CE1 4.48Å; F28-F175 HydrophobicContact CB-CZ 4.39Å; F28-F175 HydrophobicContact CD1-CZ 4.09Å; F28-F175 HydrophobicContact CD2-CE1 4.29Å; F28-F175 AromaticContact CD2-CE2 3.91Å; F28-F175 HydrophobicContact CD2-CE2 3.91Å; F28-F175 AromaticContact CD2-CZ 3.53Å; F28-F175 HydrophobicContact CD2-CZ 3.53Å; F28-F175 HydrophobicContact CE1-CZ 4.27Å; F28-F175 AromaticContact CE2-CE2 3.74Å; F28-F175 HydrophobicContact CE2-CE2 3.74Å; F28-F175 AromaticContact CE2-CZ 3.73Å; F28-F175 HydrophobicContact CE2-CZ 3.73Å; F28-F175 HydrophobicContact CG-CE1 4.3Å; F28-F175 AromaticContact CG-CZ 3.74Å; F28-F175 HydrophobicContact CG-CZ 3.74Å; F28-F175 HydrophobicContact CZ-CE2 4.24Å; F28-F175 HydrophobicContact CZ-CZ 4.1Å
29T96.9Very high97.2Very high18 Ų1847.2 Ų47.211%0.1127%0.266CS..THydrogen-bonded Turntrans-128.5-17.9-175.963.30000113.3F17 F19 M24 P26 N31 W32F17-T29 HydrophobicContact CZ-CG2 4.07Å; F17-T29 WeakPolarHBondContact CZ-OG1 3.37Å; F19-T29 HydrophobicContact CB-CG2 4.24Å; F19-T29 HydrophobicContact CD1-CG2 3.62Å; F19-T29 HydrophobicContact CD2-CG2 3.95Å; F19-T29 HydrophobicContact CE1-CG2 3.86Å; F19-T29 HydrophobicContact CE2-CG2 4.18Å; F19-T29 HydrophobicContact CG-CG2 3.65Å; F19-T29 HydrophobicContact CZ-CG2 4.14Å; M24-T29 HydrophobicContact CB-CG2 3.81Å; M24-T29 HydrophobicContact CE-CG2 3.95Å; M24-T29 HydrophobicContact CG-CG2 4.22Å; P26-T29 PolarHBondContact O-N 3.4Å; P26-T29 VanDerWaalsContact O-N 3.07Å; P26-T29 PolarHBondContact O-OG1 2.89Å; T29-N31 PolarHBondContact O-N 3.4Å; T29-N31 VanDerWaalsContact O-N 3.1Å; T29-W32 WeakPolarHBondContact O-CB 3.48Å; T29-W32 PolarHBondContact O-N 3.12Å
30A95.1Very high97.2Very high78 Ų7846.2 Ų46.265%0.64526%0.263SS*.THydrogen-bonded Turntrans-60.7-25.5-175.900000113.7P26P26-A30 WeakPolarHBondContact O-CB 3.46Å; P26-A30 PolarHBondContact O-N 3.38Å
31N95.4Very high97.3Very high30 Ų3044.3 Ų44.316%0.1625%0.251CS..THydrogen-bonded Turntrans-112.926.1177.8-157.231.5000112.4T29 E33 N34 V35 T90T29-N31 PolarHBondContact O-N 3.4Å; T29-N31 VanDerWaalsContact O-N 3.1Å; N31-E33 PolarHBondContact O-N 3.22Å; N31-N34 PolarHBondContact O-N 2.9Å; N31-N34 VanDerWaalsContact O-N 3.13Å; N31-N34 WeakPolarHBondContact OD1-CB 3.24Å; N31-N34 PolarHBondContact OD1-ND2 2.99Å; N31-V35 HydrophobicContact CB-CG2 4.46Å; N31-V35 WeakPolarHBondContact O-CG2 3.47Å; N31-V35 PolarHBondContact O-N 3.27Å; N31-T90 HydrophobicContact CB-CG2 3.88Å; N31-T90 WeakPolarHBondContact CB-OG1 3.44Å
32W97.7Very high97.3Very high35 Ų3545.6 Ų45.613%0.13325%0.248CC..Hα-helixtrans-50.3-53.3-169.1176.3-110.2000113.6F19 T29 N34 V35 Q36 F115 F119F19-W32 AromaticContact CE1-CD2 3.63Å; F19-W32 HydrophobicContact CE1-CD2 3.63Å; F19-W32 AromaticContact CE1-CE2 3.87Å; F19-W32 AromaticContact CE1-CE3 3.63Å; F19-W32 HydrophobicContact CE1-CE3 3.63Å; F19-W32 HydrophobicContact CE1-CG 4.2Å; F19-W32 HydrophobicContact CE1-CH2 4.09Å; F19-W32 HydrophobicContact CE1-CZ2 4.11Å; F19-W32 AromaticContact CE1-CZ3 3.87Å; F19-W32 HydrophobicContact CE1-CZ3 3.87Å; F19-W32 HydrophobicContact CZ-CB 4.09Å; F19-W32 AromaticContact CZ-CD1 3.93Å; F19-W32 AromaticContact CZ-CD2 3.54Å; F19-W32 HydrophobicContact CZ-CD2 3.54Å; F19-W32 AromaticContact CZ-CE2 3.85Å; F19-W32 AromaticContact CZ-CE3 3.97Å; F19-W32 HydrophobicContact CZ-CE3 3.97Å; F19-W32 AromaticContact CZ-CG 3.6Å; F19-W32 HydrophobicContact CZ-CG 3.6Å; T29-W32 WeakPolarHBondContact O-CB 3.48Å; T29-W32 PolarHBondContact O-N 3.12Å; W32-N34 VanDerWaalsContact C-N 3.31Å; W32-N34 PolarHBondContact O-N 3.33Å; W32-V35 PolarHBondContact O-N 3.04Å; W32-V35 VanDerWaalsContact O-N 3.1Å; W32-Q36 HydrophobicContact CD2-CG 3.81Å; W32-Q36 VanDerWaalsContact CE2-CG 3.42Å; W32-Q36 HydrophobicContact CE3-CG 4.3Å; W32-Q36 HydrophobicContact CG-CG 4.31Å; W32-Q36 HydrophobicContact CH2-CG 4.13Å; W32-Q36 VanDerWaalsContact CZ2-CD 3.5Å; W32-Q36 HydrophobicContact CZ2-CG 3.6Å; W32-Q36 HydrophobicContact CZ3-CG 4.45Å; W32-Q36 VanDerWaalsContact CZ3-NE2 3.32Å; W32-Q36 WeakPolarHBondContact O-CG 3.46Å; W32-Q36 PolarHBondContact O-N 3.47Å; W32-F115 HydrophobicContact CE3-CZ 4.05Å; W32-F115 HydrophobicContact CZ3-CE1 4.11Å; W32-F115 AromaticContact CZ3-CE2 3.95Å; W32-F115 HydrophobicContact CZ3-CE2 3.95Å; W32-F115 AromaticContact CZ3-CZ 3.54Å; W32-F115 HydrophobicContact CZ3-CZ 3.54Å; W32-F119 HydrophobicContact CH2-CB 3.64Å; W32-F119 AromaticContact CH2-CD1 3.63Å; W32-F119 HydrophobicContact CH2-CD1 3.63Å; W32-F119 HydrophobicContact CH2-CD2 4.13Å; W32-F119 HydrophobicContact CH2-CE1 4.37Å; W32-F119 AromaticContact CH2-CG 3.53Å; W32-F119 HydrophobicContact CH2-CG 3.53Å; W32-F119 HydrophobicContact CZ2-CD1 4.29Å; W32-F119 HydrophobicContact CZ3-CB 4.04Å; W32-F119 HydrophobicContact CZ3-CD2 4.26Å; W32-F119 HydrophobicContact CZ3-CG 4.05Å
33E97.4Very high97.3Very high126 Ų12647.2 Ų47.259%0.58926%0.256SS*.Hα-helixtrans-59.1-40.5-178.5-65.2-57.2142.100112.4N31 Q36 N37N31-E33 PolarHBondContact O-N 3.22Å; E33-Q36 PolarHBondContact O-N 2.82Å; E33-N37 WeakPolarHBondContact O-CB 3.41Å; E33-N37 VanDerWaalsContact O-CG 3.27Å; E33-N37 PolarHBondContact O-N 3.41Å; E33-N37 PolarHBondContact O-ND2 3.41Å
34N96.7Very high97.3Very high86 Ų8646.5 Ų46.546%0.4625%0.251SS..Hα-helixtrans-71.5-32.6178.3-71.6-36.4000112.5N31 W32 F38N31-N34 PolarHBondContact O-N 2.9Å; N31-N34 VanDerWaalsContact O-N 3.13Å; N31-N34 WeakPolarHBondContact OD1-CB 3.24Å; N31-N34 PolarHBondContact OD1-ND2 2.99Å; W32-N34 VanDerWaalsContact C-N 3.31Å; W32-N34 PolarHBondContact O-N 3.33Å; N34-F38 PolarHBondContact O-N 3.47Å
35V98.3Very high97.4Very high1 Ų146.5 Ų46.51%0.00625%0.251CS..Hα-helixtrans-69.7-43.3173.5173.40000110.4N31 W32 N37 F38 L87 K98 F115 P121N31-V35 HydrophobicContact CB-CG2 4.46Å; N31-V35 WeakPolarHBondContact O-CG2 3.47Å; N31-V35 PolarHBondContact O-N 3.27Å; W32-V35 PolarHBondContact O-N 3.04Å; W32-V35 VanDerWaalsContact O-N 3.1Å; V35-N37 VanDerWaalsContact C-N 3.29Å; V35-N37 PolarHBondContact O-N 2.84Å; V35-F38 WeakPolarHBondContact O-CB 3.48Å; V35-F38 PolarHBondContact O-N 3.38Å; V35-F38 VanDerWaalsContact O-N 3.1Å; V35-L87 HydrophobicContact CG1-CD2 4.48Å; V35-L87 HydrophobicContact CG1-CG 4.13Å; V35-K98 HydrophobicContact CG2-CB 4.27Å; V35-F115 HydrophobicContact CG1-CE2 3.64Å; V35-F115 HydrophobicContact CG1-CZ 4.06Å; V35-P121 HydrophobicContact CG1-CG 4.27Å; V35-P121 WeakPolarHBondContact O-CG 3.27Å
36Q98.4Very high97.5Very high41 Ų4146.6 Ų46.619%0.19225%0.251CS..Hα-helixtrans-65.5-31.9176.6-70.8-54.6-56.200112.7W32 E33 F38 F119W32-Q36 HydrophobicContact CD2-CG 3.81Å; W32-Q36 VanDerWaalsContact CE2-CG 3.42Å; W32-Q36 HydrophobicContact CE3-CG 4.3Å; W32-Q36 HydrophobicContact CG-CG 4.31Å; W32-Q36 HydrophobicContact CH2-CG 4.13Å; W32-Q36 VanDerWaalsContact CZ2-CD 3.5Å; W32-Q36 HydrophobicContact CZ2-CG 3.6Å; W32-Q36 HydrophobicContact CZ3-CG 4.45Å; W32-Q36 VanDerWaalsContact CZ3-NE2 3.32Å; W32-Q36 WeakPolarHBondContact O-CG 3.46Å; W32-Q36 PolarHBondContact O-N 3.47Å; E33-Q36 PolarHBondContact O-N 2.82Å; Q36-F38 VanDerWaalsContact C-N 3.26Å; Q36-F38 PolarHBondContact O-N 2.91Å; Q36-F119 PolarHBondContact NE2-O 2.98Å
37N97.8Very high97.6Very high100 Ų10043.3 Ų43.354%0.53523%0.23SC..THydrogen-bonded Turntrans-84.48.6173.8-69.7-44.6000113.9E33 V35 Q39E33-N37 WeakPolarHBondContact O-CB 3.41Å; E33-N37 VanDerWaalsContact O-CG 3.27Å; E33-N37 PolarHBondContact O-N 3.41Å; E33-N37 PolarHBondContact O-ND2 3.41Å; V35-N37 VanDerWaalsContact C-N 3.29Å; V35-N37 PolarHBondContact O-N 2.84Å; N37-Q39 PolarHBondContact O-N 2.72Å; N37-Q39 PolarHBondContact O-NE2 2.83Å
38F98.6Very high97.8Very high1 Ų142.2 Ų42.20%0.00422%0.224CC..  trans-53.3139.5174.2-179.8-104.6000110.6N34 V35 Q36 A40 L87 K98 A101 D102 I111 P121 S123 F124N34-F38 PolarHBondContact O-N 3.47Å; V35-F38 WeakPolarHBondContact O-CB 3.48Å; V35-F38 PolarHBondContact O-N 3.38Å; V35-F38 VanDerWaalsContact O-N 3.1Å; Q36-F38 VanDerWaalsContact C-N 3.26Å; Q36-F38 PolarHBondContact O-N 2.91Å; F38-A40 HydrophobicContact CD1-CB 4.32Å; F38-A40 HydrophobicContact CE1-CB 4.1Å; F38-L87 HydrophobicContact CD1-CD1 4.39Å; F38-L87 HydrophobicContact CD2-CD1 3.97Å; F38-L87 HydrophobicContact CE2-CD1 4.23Å; F38-L87 HydrophobicContact CG-CD1 4.03Å; F38-K98 HydrophobicContact CD2-CG 3.99Å; F38-A101 HydrophobicContact CE2-CB 3.85Å; F38-A101 HydrophobicContact CZ-CB 4.13Å; F38-D102 WeakPolarHBondContact CE2-OD1 3.5Å; F38-I111 HydrophobicContact CE1-CD1 3.89Å; F38-I111 HydrophobicContact CZ-CD1 3.59Å; F38-P121 HydrophobicContact CB-CB 4.39Å; F38-P121 HydrophobicContact CB-CG 4.43Å; F38-S123 WeakPolarHBondContact O-CB 3.49Å; F38-S123 PolarHBondContact O-OG 2.87Å; F38-F124 HydrophobicContact CD1-CD2 4.47Å; F38-F124 AromaticContact CD1-CE2 3.62Å; F38-F124 HydrophobicContact CD1-CE2 3.62Å; F38-F124 AromaticContact CD1-CZ 3.8Å; F38-F124 HydrophobicContact CD1-CZ 3.8Å; F38-F124 HydrophobicContact CE1-CE1 4.22Å; F38-F124 AromaticContact CE1-CE2 3.82Å; F38-F124 HydrophobicContact CE1-CE2 3.82Å; F38-F124 AromaticContact CE1-CZ 3.46Å; F38-F124 HydrophobicContact CE1-CZ 3.46Å; F38-F124 VanDerWaalsContact CE1-CZ 3.46Å; F38-F124 HydrophobicContact CZ-CZ 4.49Å
39Q98.3Very high97.9Very high133 Ų13341.8 Ų41.862%0.62122%0.222SC*.  trans-104.492.8179.6-60.6-60.2-57.400108.4N37 R109N37-Q39 PolarHBondContact O-N 2.72Å; N37-Q39 PolarHBondContact O-NE2 2.83Å; Q39-R109 PolarHBondContact O-NH2 3.1Å
40A98.6Very high98Very high9 Ų941 Ų417%0.07422%0.217CC..  trans-63.7148.7171.900000110.8F38 D44 S123 F124F38-A40 HydrophobicContact CD1-CB 4.32Å; F38-A40 HydrophobicContact CE1-CB 4.1Å; A40-D44 WeakPolarHBondContact CA-OD2 3.5Å; A40-S123 VanDerWaalsContact CB-OG 3.26Å; A40-S123 WeakPolarHBondContact CB-OG 3.37Å; A40-S123 PolarHBondContact N-OG 2.86Å; A40-S123 VanDerWaalsContact N-OG 3.11Å; A40-F124 HydrophobicContact CB-CD1 3.74Å; A40-F124 HydrophobicContact CB-CD2 4.39Å; A40-F124 HydrophobicContact CB-CE1 3.96Å; A40-F124 HydrophobicContact CB-CG 3.97Å; A40-F124 HydrophobicContact CB-CZ 4.38Å
41R98.3Very high98.2Very high87 Ų8737.4 Ų37.433%0.32819%0.187SC..  trans-100.4149.8170.6-60166.8-169.5172.56.1108.7D43 D44 C129R41-D43 WeakPolarHBondContact CB-OD1 3.41Å; R41-D43 PolarHBondContact O-N 2.85Å; R41-D44 PolarHBondContact N-OD2 3.38Å; R41-D44 WeakPolarHBondContact O-CB 3.46Å; R41-D44 PolarHBondContact O-N 3.34Å; R41-C129 PolarHBondContact O-SG 3.23Å
42P97.6Very high98.4Very high86 Ų8637.2 Ų37.256%0.55819%0.185SC*.THydrogen-bonded Turntrans-54-30.7179.6-26.132.4000114.5
43D98.1Very high98.4Very high45 Ų4535.6 Ų35.624%0.24118%0.179CC..THydrogen-bonded Turntrans-89.8-7.9-178.666.6-50.2000114R41 T107 P108R41-D43 WeakPolarHBondContact CB-OD1 3.41Å; R41-D43 PolarHBondContact O-N 2.85Å; D43-T107 VanDerWaalsContact OD2-CG2 3.27Å; D43-T107 WeakPolarHBondContact OD2-CG2 3.43Å; D43-P108 WeakPolarHBondContact O-CB 3.12Å; D43-P108 WeakPolarHBondContact OD2-CA 3.46Å
44D98.8Very high98.4Very high0 Ų030.2 Ų30.20%016%0.158CC..  trans-57.8147.5177-72.9-17.4000111.6A40 R41 R109 I111 F124 R130A40-D44 WeakPolarHBondContact CA-OD2 3.5Å; R41-D44 PolarHBondContact N-OD2 3.38Å; R41-D44 WeakPolarHBondContact O-CB 3.46Å; R41-D44 PolarHBondContact O-N 3.34Å; D44-R109 VanDerWaalsContact OD1-CB 3.29Å; D44-R109 WeakPolarHBondContact OD1-CB 3.27Å; D44-R109 WeakPolarHBondContact OD1-CG 3.26Å; D44-R109 IonicContact OD1-CZ 3.86Å; D44-R109 IonicContact OD1-NE 3.69Å; D44-R109 PolarHBondContact OD1-NE 3.33Å; D44-R109 IonicContact OD1-NH2 3.57Å; D44-R109 IonicContact OD2-CZ 3.52Å; D44-R109 IonicContact OD2-NE 3.72Å; D44-R109 PolarHBondContact OD2-NE 3.01Å; D44-R109 IonicContact OD2-NH2 2.66Å; D44-R109 PolarHBondContact OD2-NH2 3.32Å; D44-I111 HydrophobicContact CB-CD1 4.44Å; D44-F124 HydrophobicContact CB-CE1 4.3Å; D44-R130 PolarHBondContact O-N 3.05Å
45I98.9Very high98.5Very high0 Ų026.5 Ų26.50%014%0.138CC..EExtended strand (participates in β ladder)trans-118.3115.7174.3-55.5-178.3000109.1Y66 P108 R109 L110 I111 R130 I132 I218I45-Y66 HydrophobicContact CD1-CD2 4.43Å; I45-Y66 HydrophobicContact CD1-CE2 3.39Å; I45-Y66 WeakPolarHBondContact CD1-OH 3.23Å; I45-P108 HydrophobicContact CD1-CB 4.44Å; I45-P108 HydrophobicContact CD1-CG 4.04Å; I45-P108 HydrophobicContact CG1-CB 4.33Å; I45-P108 HydrophobicContact CG1-CG 4.45Å; I45-R109 PolarHBondContact N-O 2.81Å; I45-L110 HydrophobicContact CB-CD2 3.91Å; I45-L110 HydrophobicContact CD1-CD2 4.01Å; I45-L110 HydrophobicContact CG1-CD2 4.34Å; I45-L110 HydrophobicContact CG2-CD2 4.42Å; I45-I111 PolarHBondContact O-N 3.04Å; I45-R130 VanDerWaalsContact CA-O 3.31Å; I45-R130 WeakPolarHBondContact CA-O 3.28Å; I45-R130 HydrophobicContact CG1-CB 4.28Å; I45-I132 HydrophobicContact CG2-CD1 3.83Å; I45-I132 HydrophobicContact CG2-CG1 4.39Å; I45-I218 HydrophobicContact CD1-CG2 4.4Å
46L98.9Very high98.6Very high1 Ų127 Ų271%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-90.2119.6173.9-175.565.7000110.1I111 V120 F124 R130 M131 I132 W185L46-I111 CarbonylContact C-O 3.45Å; L46-I111 HydrophobicContact CD1-CB 4.49Å; L46-I111 HydrophobicContact CD1-CG2 4.24Å; L46-V120 HydrophobicContact CD2-CG1 3.72Å; L46-V120 HydrophobicContact CD2-CG2 4.46Å; L46-F124 HydrophobicContact CB-CD1 4.08Å; L46-F124 HydrophobicContact CB-CE1 3.98Å; L46-F124 HydrophobicContact CD1-CE1 4.25Å; L46-F124 HydrophobicContact CD1-CE2 4.34Å; L46-F124 HydrophobicContact CD1-CZ 4Å; L46-F124 HydrophobicContact CD2-CD1 4.39Å; L46-F124 HydrophobicContact CD2-CD2 4.39Å; L46-F124 HydrophobicContact CD2-CG 4.28Å; L46-R130 PolarHBondContact N-O 2.72Å; L46-M131 HydrophobicContact CB-CG 4.18Å; L46-M131 HydrophobicContact CD2-SD 4.05Å; L46-M131 CarbonylContact O-C 3.33Å; L46-M131 VanDerWaalsContact O-CA 3.29Å; L46-M131 WeakPolarHBondContact O-CA 3.49Å; L46-I132 PolarHBondContact O-N 3.17Å; L46-W185 HydrophobicContact CD2-CH2 4.29Å
47I98.9Very high98.6Very high0 Ų026.3 Ų26.30%014%0.137CC..EExtended strand (participates in β ladder)trans-97.9103.9173.4-56.2168.5000107.3T55 V58 L62 V84 I111 K112 S113 I132I47-T55 HydrophobicContact CG2-CG2 3.97Å; I47-V58 HydrophobicContact CG2-CG1 3.53Å; I47-L62 HydrophobicContact CD1-CD1 3.47Å; I47-L62 VanDerWaalsContact CD1-CD1 3.47Å; I47-L62 HydrophobicContact CG1-CD1 3.63Å; I47-V84 HydrophobicContact CD1-CG1 3.89Å; I47-I111 PolarHBondContact N-O 2.96Å; I47-K112 CarbonylContact O-C 3.6Å; I47-K112 WeakPolarHBondContact O-CA 3.32Å; I47-S113 PolarHBondContact O-N 3.19Å; I47-I132 WeakPolarHBondContact CA-O 3.41Å
48A98.9Very high98.6Very high0 Ų021.6 Ų21.60%011%0.111CC..EExtended strand (participates in β ladder)trans-108.7137.3-177.600000111S113 I132 Y133 V134 W185A48-S113 WeakPolarHBondContact CA-O 3.27Å; A48-I132 PolarHBondContact N-O 3.05Å; A48-Y133 HydrophobicContact CB-CD2 3.89Å; A48-Y133 VanDerWaalsContact O-CA 3.25Å; A48-Y133 WeakPolarHBondContact O-CA 3.32Å; A48-Y133 VanDerWaalsContact O-CD2 3.31Å; A48-Y133 WeakPolarHBondContact O-CD2 3.4Å; A48-V134 PolarHBondContact O-N 3.39Å; A48-V134 VanDerWaalsContact O-N 3.17Å; A48-W185 HydrophobicContact CB-CD2 4.46Å; A48-W185 HydrophobicContact CB-CE3 4.46Å; A48-W185 HydrophobicContact CB-CH2 3.36Å; A48-W185 HydrophobicContact CB-CZ2 3.31Å; A48-W185 HydrophobicContact CB-CZ3 3.96Å
49T98.9Very high98.6Very high0 Ų021.7 Ų21.70%011%0.112CC..EExtended strand (participates in β ladder)trans-153.6150.9175.754.60000109.5T55 S113 H114 V134T49-T55 HydrophobicContact CG2-CG2 3.97Å; T49-T55 VanDerWaalsContact OG1-CG2 3.3Å; T49-T55 WeakPolarHBondContact OG1-CG2 3.43Å; T49-T55 PolarHBondContact OG1-OG1 3.04Å; T49-S113 PolarHBondContact N-O 3.17Å; T49-H114 WeakPolarHBondContact O-CA 3.4Å; T49-H114 PolarHBondContact O-ND1 3.22Å; T49-H114 PolarHBondContact OG1-CE1 3.12Å; T49-H114 PolarHBondContact OG1-ND1 3.13Å; T49-H114 VanDerWaalsContact OG1-ND1 3.08Å; T49-V134 HydrophobicContact CG2-CB 3.71Å; T49-V134 HydrophobicContact CG2-CG2 4.26Å; T49-V134 WeakPolarHBondContact CG2-O 3.41Å
50Y98.9Very high98.6Very high1 Ų115.6 Ų15.60%0.0048%0.083CC..SBendtrans-63.7145.4155-172-99.4000108.3K52 A53 N141 Y145 F168 M173 G176 W178 H181Y50-K52 PolarHBondContact O-N 3.03Å; Y50-A53 VanDerWaalsContact O-CB 3.31Å; Y50-A53 WeakPolarHBondContact O-CB 3.34Å; Y50-A53 PolarHBondContact O-N 2.91Å; Y50-N141 WeakPolarHBondContact CD1-OD1 3.42Å; Y50-N141 VanDerWaalsContact CE1-OD1 3.31Å; Y50-N141 WeakPolarHBondContact CE1-OD1 3.49Å; Y50-Y145 AromaticContact CE1-CD1 3.82Å; Y50-Y145 HydrophobicContact CE1-CD1 3.82Å; Y50-Y145 AromaticContact CE1-CE1 3.85Å; Y50-Y145 HydrophobicContact CE1-CE1 3.85Å; Y50-Y145 AromaticContact CZ-CE1 3.92Å; Y50-F168 HydrophobicContact CE1-CE2 4.03Å; Y50-F168 HydrophobicContact CE1-CZ 4.47Å; Y50-M173 WeakPolarHBondContact OH-CB 3.4Å; Y50-G176 WeakPolarHBondContact CE2-O 3.48Å; Y50-G176 PolarHBondContact OH-O 3.26Å; Y50-W178 HydrophobicContact CD1-CB 4.33Å; Y50-W178 AromaticContact CD1-CD1 3.51Å; Y50-W178 HydrophobicContact CD1-CG 4.31Å; Y50-W178 HydrophobicContact CE1-CB 3.98Å; Y50-W178 AromaticContact CE1-CD1 3.87Å; Y50-W178 HydrophobicContact CE1-CG 4.36Å; Y50-W178 HydrophobicContact CE2-CB 4.27Å; Y50-W178 AromaticContact CG-CD1 3.95Å; Y50-H181 HydrophobicContact CD2-CB 3.77Å; Y50-H181 AromaticContact CD2-CD2 3.88Å; Y50-H181 AromaticContact CD2-CG 3.73Å; Y50-H181 PolarHBondContact N-CE1 2.63Å
51P98.8Very high98.6Very high3 Ų315.3 Ų15.32%0.0198%0.081CC..THydrogen-bonded Turntrans-48.6142.9-179.5-28.634.6000112.1A53 H114 N141 Y145 F175P51-A53 VanDerWaalsContact C-N 3.27Å; P51-A53 PolarHBondContact O-N 3.37Å; P51-H114 HydrophobicContact CG-CB 4.3Å; P51-N141 PolarHBondContact O-ND2 3Å; P51-N141 PolarHBondContact O-OD1 2.64Å; P51-Y145 HydrophobicContact CB-CD1 4.11Å; P51-Y145 HydrophobicContact CB-CE1 3.52Å; P51-Y145 HydrophobicContact CB-CE2 4.48Å; P51-Y145 HydrophobicContact CG-CE1 3.78Å; P51-F175 HydrophobicContact CG-CD2 3.53Å; P51-F175 HydrophobicContact CG-CE2 4.15Å; P51-F175 HydrophobicContact CG-CG 4.4Å
52K98.8Very high98.6Very high27 Ų2711.1 Ų11.112%0.1177%0.065CC..THydrogen-bonded Turntrans68.116.5175.8-39.1-49.9-59.9-1780116.2Y50 R136 Y145 F148Y50-K52 PolarHBondContact O-N 3.03Å; K52-R136 WeakPolarHBondContact O-CD 3.32Å; K52-R136 PolarHBondContact O-NH1 2.95Å; K52-Y145 HydrophobicContact CG-CD1 4.34Å; K52-Y145 HydrophobicContact CG-CD2 4.37Å; K52-Y145 HydrophobicContact CG-CG 3.97Å; K52-F148 HydrophobicContact CD-CB 3.79Å; K52-F148 HydrophobicContact CD-CD1 3.71Å; K52-F148 HydrophobicContact CD-CD2 4.34Å; K52-F148 HydrophobicContact CD-CE1 4.28Å; K52-F148 HydrophobicContact CD-CG 3.7Å
53A98.7Very high98.6Very high0 Ų07.1 Ų7.10%04%0.039CC..SBendtrans-91.19.1174.900000115.4Y50 P51 V134 R136Y50-A53 VanDerWaalsContact O-CB 3.31Å; Y50-A53 WeakPolarHBondContact O-CB 3.34Å; Y50-A53 PolarHBondContact O-N 2.91Å; P51-A53 VanDerWaalsContact C-N 3.27Å; P51-A53 PolarHBondContact O-N 3.37Å; A53-V134 WeakPolarHBondContact CB-O 3.3Å; A53-V134 VanDerWaalsContact O-CG1 3.27Å; A53-V134 WeakPolarHBondContact O-CG1 3.42Å; A53-R136 HydrophobicContact CB-CB 3.74Å
54G98.2Very high98.6Very high14 Ų145.6 Ų5.614%0.1443%0.03CC..SBendtrans108.712.8176.900000116T56 W57 V58G54-T56 VanDerWaalsContact C-N 3.34Å; G54-T56 PolarHBondContact O-N 3.39Å; G54-W57 WeakPolarHBondContact O-CA 3.38Å; G54-W57 VanDerWaalsContact O-CB 3.29Å; G54-W57 WeakPolarHBondContact O-CB 3.18Å; G54-W57 PolarHBondContact O-N 2.78Å; G54-V58 PolarHBondContact O-N 2.96Å; G54-V58 VanDerWaalsContact O-N 3.15Å
55T98.8Very high98.5Very high8 Ų86.7 Ų6.75%0.0494%0.036CC..Hα-helixtrans-43.2-51.8178.6-11.40000114.9I47 T49 W57 V58 S59 K112 H114I47-T55 HydrophobicContact CG2-CG2 3.97Å; T49-T55 HydrophobicContact CG2-CG2 3.97Å; T49-T55 VanDerWaalsContact OG1-CG2 3.3Å; T49-T55 WeakPolarHBondContact OG1-CG2 3.43Å; T49-T55 PolarHBondContact OG1-OG1 3.04Å; T55-W57 PolarHBondContact O-N 2.83Å; T55-V58 VanDerWaalsContact O-CG1 3.27Å; T55-V58 WeakPolarHBondContact O-CG1 3.29Å; T55-V58 PolarHBondContact O-N 3.4Å; T55-S59 VanDerWaalsContact O-CB 3.23Å; T55-S59 WeakPolarHBondContact O-CB 3.48Å; T55-S59 PolarHBondContact O-N 3.16Å; T55-S59 PolarHBondContact O-OG 3.24Å; T55-K112 HydrophobicContact CG2-CD 3.84Å; T55-K112 HydrophobicContact CG2-CG 3.73Å; T55-H114 PolarHBondContact OG1-CE1 2.84Å; T55-H114 VanDerWaalsContact OG1-CE1 3.3Å
56T98.7Very high98.4Very high10 Ų108.4 Ų8.46%0.0614%0.043CC..Hα-helixtrans-62.7-34.5-178-52.70000111.9G54 Q60 I80 M239 A245 Y247 F260 M261G54-T56 VanDerWaalsContact C-N 3.34Å; G54-T56 PolarHBondContact O-N 3.39Å; T56-Q60 WeakPolarHBondContact O-CB 3.27Å; T56-Q60 PolarHBondContact O-N 3.13Å; T56-I80 HydrophobicContact CG2-CG2 4.13Å; T56-M239 HydrophobicContact CG2-CE 4.02Å; T56-A245 WeakPolarHBondContact CG2-O 3.29Å; T56-Y247 HydrophobicContact CG2-CE2 3.81Å; T56-Y247 WeakPolarHBondContact OG1-CE2 3.31Å; T56-F260 HydrophobicContact CG2-CE1 4.29Å; T56-F260 WeakPolarHBondContact OG1-CE1 3.41Å; T56-F260 WeakPolarHBondContact OG1-CZ 3.07Å; T56-M261 HydrophobicContact CG2-CE 3.8Å
57W98.8Very high98.3Very high28 Ų289 Ų911%0.1065%0.046CC..Hα-helixtrans-68.7-52.5-179.4-16816.3000111G54 T55 S59 Q60 I61 Y200 M203 I204 T207 V234 M239G54-W57 WeakPolarHBondContact O-CA 3.38Å; G54-W57 VanDerWaalsContact O-CB 3.29Å; G54-W57 WeakPolarHBondContact O-CB 3.18Å; G54-W57 PolarHBondContact O-N 2.78Å; T55-W57 PolarHBondContact O-N 2.83Å; W57-S59 VanDerWaalsContact C-N 3.29Å; W57-S59 PolarHBondContact O-N 3.12Å; W57-Q60 PolarHBondContact O-N 2.9Å; W57-I61 WeakPolarHBondContact O-CG1 3.5Å; W57-I61 PolarHBondContact O-N 3.37Å; W57-Y200 AromaticContact CE3-CD2 3.94Å; W57-Y200 HydrophobicContact CE3-CD2 3.94Å; W57-Y200 AromaticContact CE3-CE2 3.56Å; W57-Y200 HydrophobicContact CE3-CE2 3.56Å; W57-Y200 HydrophobicContact CZ3-CD2 4.02Å; W57-Y200 AromaticContact CZ3-CE2 3.68Å; W57-Y200 HydrophobicContact CZ3-CE2 3.68Å; W57-M203 HydrophobicContact CB-CE 4.48Å; W57-M203 HydrophobicContact CD2-CE 3.67Å; W57-M203 HydrophobicContact CE3-CB 4.1Å; W57-M203 HydrophobicContact CE3-CE 3.58Å; W57-M203 HydrophobicContact CE3-SD 4.22Å; W57-M203 HydrophobicContact CG-CE 4.06Å; W57-M203 VanDerWaalsContact CH2-C 3.43Å; W57-M203 HydrophobicContact CH2-CB 3.62Å; W57-M203 VanDerWaalsContact CH2-O 3.27Å; W57-M203 WeakPolarHBondContact CH2-O 3.27Å; W57-M203 HydrophobicContact CZ2-CB 4.41Å; W57-M203 HydrophobicContact CZ3-CB 3.42Å; W57-M203 VanDerWaalsContact CZ3-CB 3.42Å; W57-M203 HydrophobicContact CZ3-CE 4.1Å; W57-M203 HydrophobicContact CZ3-SD 4.44Å; W57-I204 HydrophobicContact CH2-CD1 3.47Å; W57-I204 VanDerWaalsContact CH2-CD1 3.47Å; W57-I204 HydrophobicContact CH2-CG1 3.92Å; W57-I204 HydrophobicContact CZ3-CD1 3.55Å; W57-I204 HydrophobicContact CZ3-CG1 3.81Å; W57-T207 HydrophobicContact CZ2-CG2 4.15Å; W57-V234 PolarHBondContact NE1-O 2.98Å; W57-M239 HydrophobicContact CG-SD 4.4Å
58V98.8Very high98Very high0 Ų09.2 Ų9.20%05%0.048CC..Hα-helixtrans-65.7-33176.5690000112.2I47 G54 T55 Q60 I61 L62 I132 V134 M198 M203 L214I47-V58 HydrophobicContact CG2-CG1 3.53Å; G54-V58 PolarHBondContact O-N 2.96Å; G54-V58 VanDerWaalsContact O-N 3.15Å; T55-V58 VanDerWaalsContact O-CG1 3.27Å; T55-V58 WeakPolarHBondContact O-CG1 3.29Å; T55-V58 PolarHBondContact O-N 3.4Å; V58-Q60 PolarHBondContact O-N 3.45Å; V58-I61 PolarHBondContact O-N 3Å; V58-L62 HydrophobicContact CG2-CD1 4.09Å; V58-L62 HydrophobicContact CG2-CG 4.49Å; V58-L62 WeakPolarHBondContact O-CG 3.44Å; V58-L62 PolarHBondContact O-N 3.23Å; V58-I132 HydrophobicContact CG2-CG2 3.88Å; V58-V134 HydrophobicContact CB-CG2 3.97Å; V58-V134 HydrophobicContact CG1-CG2 3.73Å; V58-V134 HydrophobicContact CG2-CG2 4.13Å; V58-M198 HydrophobicContact CG2-SD 4.43Å; V58-M203 HydrophobicContact CB-CE 4.33Å; V58-L214 HydrophobicContact CG2-CD1 4.19Å
59S98.8Very high97.6Very high3 Ų316.5 Ų16.52%0.0218%0.08CC..Hα-helixtrans-62.3-42.6173.6-59.50000111.6T55 W57 L62 D63T55-S59 VanDerWaalsContact O-CB 3.23Å; T55-S59 WeakPolarHBondContact O-CB 3.48Å; T55-S59 PolarHBondContact O-N 3.16Å; T55-S59 PolarHBondContact O-OG 3.24Å; W57-S59 VanDerWaalsContact C-N 3.29Å; W57-S59 PolarHBondContact O-N 3.12Å; S59-L62 PolarHBondContact O-N 3.26Å; S59-D63 WeakPolarHBondContact O-CB 3.47Å; S59-D63 PolarHBondContact O-N 2.78Å
60Q98.4Very high97.3Very high5 Ų521.3 Ų21.32%0.02311%0.109CC..Hα-helixtrans-68.4-38.7176.7-174.665.925.500111.9T56 W57 V58 L64 V234 M239T56-Q60 WeakPolarHBondContact O-CB 3.27Å; T56-Q60 PolarHBondContact O-N 3.13Å; W57-Q60 PolarHBondContact O-N 2.9Å; V58-Q60 PolarHBondContact O-N 3.45Å; Q60-L64 HydrophobicContact CG-CD1 4Å; Q60-L64 HydrophobicContact CG-CG 4.49Å; Q60-L64 WeakPolarHBondContact O-CB 3.34Å; Q60-L64 WeakPolarHBondContact O-CD1 3.47Å; Q60-L64 VanDerWaalsContact O-CG 3.25Å; Q60-L64 WeakPolarHBondContact O-CG 3.48Å; Q60-L64 PolarHBondContact O-N 3.11Å; Q60-V234 HydrophobicContact CB-CG1 4.47Å; Q60-V234 HydrophobicContact CG-CG1 4.01Å; Q60-M239 HydrophobicContact CB-CE 3.48Å; Q60-M239 VanDerWaalsContact CB-CE 3.48Å; Q60-M239 HydrophobicContact CB-SD 4.19Å; Q60-M239 HydrophobicContact CG-CE 3.82Å; Q60-M239 HydrophobicContact CG-SD 4.24Å
61I98.5Very high96.9Very high3 Ų322.7 Ų22.72%0.01512%0.119CC..Hα-helixtrans-58-51.2174-69.3165.9000110W57 V58 L64 L65 M203 I211 L214 V234W57-I61 WeakPolarHBondContact O-CG1 3.5Å; W57-I61 PolarHBondContact O-N 3.37Å; V58-I61 PolarHBondContact O-N 3Å; I61-L64 PolarHBondContact O-N 2.96Å; I61-L65 HydrophobicContact CG2-CD1 3.68Å; I61-L65 HydrophobicContact CG2-CG 4.41Å; I61-L65 WeakPolarHBondContact O-CB 3.4Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 3.02Å; I61-M203 HydrophobicContact CD1-CE 3.69Å; I61-I211 HydrophobicContact CD1-CG1 4.44Å; I61-I211 HydrophobicContact CG2-CG1 4.01Å; I61-L214 HydrophobicContact CG2-CD1 3.87Å; I61-V234 HydrophobicContact CD1-CG2 4.45Å; I61-V234 HydrophobicContact CG1-CB 3.98Å; I61-V234 HydrophobicContact CG1-CG1 3.65Å; I61-V234 HydrophobicContact CG1-CG2 4Å
62L98.4Very high96.5Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-65.5-42.3-178.2-70.3163.6000112.6I47 V58 S59 L64 L65 Y66 L110 I132 I218I47-L62 HydrophobicContact CD1-CD1 3.47Å; I47-L62 VanDerWaalsContact CD1-CD1 3.47Å; I47-L62 HydrophobicContact CG1-CD1 3.63Å; V58-L62 HydrophobicContact CG2-CD1 4.09Å; V58-L62 HydrophobicContact CG2-CG 4.49Å; V58-L62 WeakPolarHBondContact O-CG 3.44Å; V58-L62 PolarHBondContact O-N 3.23Å; S59-L62 PolarHBondContact O-N 3.26Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 2.96Å; L62-L65 PolarHBondContact O-N 3.46Å; L62-Y66 WeakPolarHBondContact O-CD2 3.43Å; L62-Y66 PolarHBondContact O-N 2.85Å; L62-L110 HydrophobicContact CB-CD1 3.88Å; L62-L110 HydrophobicContact CB-CD2 4.23Å; L62-I132 HydrophobicContact CD1-CD1 3.5Å; L62-I132 VanDerWaalsContact CD1-CD1 3.5Å; L62-I132 HydrophobicContact CD2-CD1 3.57Å; L62-I132 HydrophobicContact CG-CD1 4.11Å; L62-I218 HydrophobicContact CD2-CD1 3.97Å; L62-I218 HydrophobicContact CD2-CG2 4.44Å
63D97.3Very high96.2Very high1 Ų129.4 Ų29.41%0.00516%0.156CC..Hα-helixtrans-64.6-39.3177.9-171.590.4000111.7S59 F67 G68 L75 R83 L110S59-D63 WeakPolarHBondContact O-CB 3.47Å; S59-D63 PolarHBondContact O-N 2.78Å; D63-F67 WeakPolarHBondContact O-CA 3.48Å; D63-F67 WeakPolarHBondContact O-CB 3.47Å; D63-F67 PolarHBondContact O-N 3.11Å; D63-F67 WeakPolarHBondContact OD1-CD2 3.44Å; D63-G68 PolarHBondContact O-N 3.07Å; D63-L75 VanDerWaalsContact OD2-CD2 3.28Å; D63-L75 WeakPolarHBondContact OD2-CD2 3.18Å; D63-R83 IonicContact OD1-NH1 3.24Å; D63-R83 IonicContact OD2-CZ 2.67Å; D63-R83 IonicContact OD2-NH1 2.62Å; D63-R83 PolarHBondContact OD2-NH1 3.31Å; D63-L110 HydrophobicContact CB-CD1 4.03Å
64L97.1Very high95.8Very high13 Ų1330.8 Ų30.87%0.06816%0.161CC..Hα-helixtrans-66.8-40.6173.7-70.9167.1000112.3Q60 I61 L62 G68 L75 I230 V234Q60-L64 HydrophobicContact CG-CD1 4Å; Q60-L64 HydrophobicContact CG-CG 4.49Å; Q60-L64 WeakPolarHBondContact O-CB 3.34Å; Q60-L64 WeakPolarHBondContact O-CD1 3.47Å; Q60-L64 VanDerWaalsContact O-CG 3.25Å; Q60-L64 WeakPolarHBondContact O-CG 3.48Å; Q60-L64 PolarHBondContact O-N 3.11Å; I61-L64 PolarHBondContact O-N 2.96Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 2.96Å; L64-G68 VanDerWaalsContact O-CA 3.27Å; L64-G68 WeakPolarHBondContact O-CA 3.41Å; L64-G68 PolarHBondContact O-N 2.78Å; L64-L75 HydrophobicContact CD2-CD1 3.4Å; L64-L75 HydrophobicContact CD2-CD2 3.66Å; L64-L75 HydrophobicContact CD2-CG 4.17Å; L64-L75 HydrophobicContact CG-CD2 4.29Å; L64-I230 HydrophobicContact CB-CG1 3.89Å; L64-I230 HydrophobicContact CB-CG2 4.41Å; L64-I230 HydrophobicContact CD1-CG2 4.37Å; L64-V234 HydrophobicContact CD1-CG1 3.53Å
65L97.4Very high95.2Very high23 Ų2331.4 Ų31.412%0.1216%0.161CC..Hα-helixtrans-62-44177.6-80166.6000112.4I61 L62 C215 I218 L220 P222 I230I61-L65 HydrophobicContact CG2-CD1 3.68Å; I61-L65 HydrophobicContact CG2-CG 4.41Å; I61-L65 WeakPolarHBondContact O-CB 3.4Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 3.02Å; L62-L65 PolarHBondContact O-N 3.46Å; L65-C215 WeakPolarHBondContact CD2-SG 3.44Å; L65-I218 HydrophobicContact CD1-CD1 3.98Å; L65-L220 HydrophobicContact CB-CD1 4.09Å; L65-P222 HydrophobicContact CD2-CG 3.96Å; L65-I230 HydrophobicContact CD2-CD1 3.44Å; L65-I230 VanDerWaalsContact CD2-CD1 3.44Å; L65-I230 HydrophobicContact CG-CD1 3.88Å
66Y96.9Very high94.8Very high37 Ų3736.4 Ų36.415%0.14519%0.192CC..Hα-helixtrans-83.6-38.3-177.8-84.3-73.5000113.6I45 L62 P108 L110 I218 L220I45-Y66 HydrophobicContact CD1-CD2 4.43Å; I45-Y66 HydrophobicContact CD1-CE2 3.39Å; I45-Y66 WeakPolarHBondContact CD1-OH 3.23Å; L62-Y66 WeakPolarHBondContact O-CD2 3.43Å; L62-Y66 PolarHBondContact O-N 2.85Å; Y66-P108 HydrophobicContact CD1-CG 3.67Å; Y66-P108 HydrophobicContact CD2-CG 4.15Å; Y66-P108 VanDerWaalsContact CE1-CD 3.46Å; Y66-P108 HydrophobicContact CE1-CG 3.47Å; Y66-P108 VanDerWaalsContact CE1-CG 3.47Å; Y66-P108 HydrophobicContact CE2-CG 3.96Å; Y66-P108 HydrophobicContact CG-CG 4.02Å; Y66-L110 HydrophobicContact CD2-CD2 4.2Å; Y66-L110 HydrophobicContact CE2-CD2 4.45Å; Y66-I218 HydrophobicContact CE2-CD1 3.88Å; Y66-L220 HydrophobicContact CD1-CD1 4.06Å; Y66-L220 HydrophobicContact CD2-CD1 4.32Å; Y66-L220 HydrophobicContact CE1-CD1 3.86Å; Y66-L220 HydrophobicContact CE1-CD2 4.3Å; Y66-L220 HydrophobicContact CE1-CG 4.34Å; Y66-L220 HydrophobicContact CE2-CD1 4.14Å; Y66-L220 HydrophobicContact CG-CD1 4.27Å
67F95.9Very high94.4Very high13 Ų1339.3 Ų39.36%0.05721%0.213CC..Hα-helixtrans-126.5-6.9-164.8-48.5-59.2000114D63 K69 T70 S71 T106 P108 L110D63-F67 WeakPolarHBondContact O-CA 3.48Å; D63-F67 WeakPolarHBondContact O-CB 3.47Å; D63-F67 PolarHBondContact O-N 3.11Å; D63-F67 WeakPolarHBondContact OD1-CD2 3.44Å; F67-K69 PolarHBondContact O-N 2.99Å; F67-K69 VanDerWaalsContact O-N 3.12Å; F67-T70 PolarHBondContact O-N 3.21Å; F67-S71 CarbonylContact O-C 3.53Å; F67-S71 WeakPolarHBondContact O-CA 3.31Å; F67-S71 PolarHBondContact O-N 2.83Å; F67-T106 HydrophobicContact CE1-CG2 4.17Å; F67-T106 HydrophobicContact CE2-CG2 4.31Å; F67-T106 HydrophobicContact CZ-CG2 4.03Å; F67-P108 WeakPolarHBondContact CZ-O 3.42Å; F67-L110 HydrophobicContact CE2-CD1 3.98Å; F67-L110 HydrophobicContact CE2-CG 4.2Å
68G93.1Very high94.2Very high5 Ų540.4 Ų40.45%0.05222%0.22CC..THydrogen-bonded Turntrans-59.7-28.4-175.600000113.9D63 L64D63-G68 PolarHBondContact O-N 3.07Å; L64-G68 VanDerWaalsContact O-CA 3.27Å; L64-G68 WeakPolarHBondContact O-CA 3.41Å; L64-G68 PolarHBondContact O-N 2.78Å
69K91.1Very high94.1Very high153 Ų15340.9 Ų40.967%0.66522%0.224SC*.THydrogen-bonded Turntrans-95.1-40.8176.4-177.6173.4-174.4174.10113.8F67 E226F67-K69 PolarHBondContact O-N 2.99Å; F67-K69 VanDerWaalsContact O-N 3.12Å; K69-E226 WeakPolarHBondContact CD-OE1 3.22Å; K69-E226 IonicContact NZ-OE1 4Å; K69-E226 PolarHBondContact NZ-OE1 3.38Å
70T91.5Very high94Very high101 Ų10140.9 Ų40.962%0.6222%0.223SC*.THydrogen-bonded Turntrans-84.1-21.3-172.657.50000112.9F67F67-T70 PolarHBondContact O-N 3.21Å
71S92Very high93.8Very high29 Ų2941.7 Ų41.720%0.20323%0.226CC..  trans-149.654.5-176.3-51.90000111.8F67 E73 R74F67-S71 CarbonylContact O-C 3.53Å; F67-S71 WeakPolarHBondContact O-CA 3.31Å; F67-S71 PolarHBondContact O-N 2.83Å; S71-E73 WeakPolarHBondContact CA-OE1 3.27Å; S71-E73 WeakPolarHBondContact CA-OE2 3.38Å; S71-E73 WeakPolarHBondContact CB-OE1 3.42Å; S71-E73 PolarHBondContact O-N 2.95Å; S71-R74 WeakPolarHBondContact O-CB 3.44Å; S71-R74 WeakPolarHBondContact O-CG 3.3Å; S71-R74 PolarHBondContact O-N 2.94Å; S71-R74 VanDerWaalsContact O-N 3.09Å
72P89.8Confident93.7Very high67 Ų6743.2 Ų43.244%0.43523%0.233SC..THydrogen-bonded Turntrans-59.5-28.5-175.125.2-35.2000113.4R74 L75P72-R74 PolarHBondContact O-N 2.77Å; P72-L75 WeakPolarHBondContact O-CB 3.47Å; P72-L75 PolarHBondContact O-N 2.85Å; P72-L75 VanDerWaalsContact O-N 3.11Å
73E91.8Very high93.6Very high105 Ų10543.3 Ų43.349%0.49123%0.234SC..THydrogen-bonded Turntrans-61.1-26177.571.2-66.9157.100113S71 L75 T76 S77S71-E73 WeakPolarHBondContact CA-OE1 3.27Å; S71-E73 WeakPolarHBondContact CA-OE2 3.38Å; S71-E73 WeakPolarHBondContact CB-OE1 3.42Å; S71-E73 PolarHBondContact O-N 2.95Å; E73-L75 PolarHBondContact O-N 3.03Å; E73-T76 PolarHBondContact O-N 2.93Å; E73-T76 PolarHBondContact O-OG1 3.36Å; E73-T76 VanDerWaalsContact O-OG1 3.11Å; E73-S77 VanDerWaalsContact O-CB 3.32Å; E73-S77 WeakPolarHBondContact O-CB 3.27Å; E73-S77 PolarHBondContact O-N 2.66Å; E73-S77 PolarHBondContact O-OG 3.22Å
74R90.1Very high93.6Very high28 Ų2843.4 Ų43.411%0.10623%0.234CC..Hα-helixtrans-63-31.5176.2-65.4172.658.479.8-1.9112S71 P72 T76 L78S71-R74 WeakPolarHBondContact O-CB 3.44Å; S71-R74 WeakPolarHBondContact O-CG 3.3Å; S71-R74 PolarHBondContact O-N 2.94Å; S71-R74 VanDerWaalsContact O-N 3.09Å; P72-R74 PolarHBondContact O-N 2.77Å; R74-T76 PolarHBondContact O-N 2.86Å; R74-L78 HydrophobicContact CG-CD1 4.44Å; R74-L78 PolarHBondContact O-N 2.79Å
75L85.8Confident93.7Very high27 Ų2742.8 Ų42.814%0.14123%0.231CC..Hα-helixtrans-69.9-21.7-177.6-57.8170.8000112.9D63 L64 P72 E73 M244D63-L75 VanDerWaalsContact OD2-CD2 3.28Å; D63-L75 WeakPolarHBondContact OD2-CD2 3.18Å; L64-L75 HydrophobicContact CD2-CD1 3.4Å; L64-L75 HydrophobicContact CD2-CD2 3.66Å; L64-L75 HydrophobicContact CD2-CG 4.17Å; L64-L75 HydrophobicContact CG-CD2 4.29Å; P72-L75 WeakPolarHBondContact O-CB 3.47Å; P72-L75 PolarHBondContact O-N 2.85Å; P72-L75 VanDerWaalsContact O-N 3.11Å; E73-L75 PolarHBondContact O-N 3.03Å; L75-M244 WeakPolarHBondContact O-CB 3.3Å; L75-M244 WeakPolarHBondContact O-CG 3.35Å
76T89.6Confident93.7Very high113 Ų11342.7 Ų42.769%0.69323%0.23SC*.Hα-helixtrans-108.9-21.7-179.257.30000113E73 R74E73-T76 PolarHBondContact O-N 2.93Å; E73-T76 PolarHBondContact O-OG1 3.36Å; E73-T76 VanDerWaalsContact O-OG1 3.11Å; R74-T76 PolarHBondContact O-N 2.86Å
77S91.7Very high93.8Very high72 Ų7240.9 Ų40.950%0.50322%0.223SC..Hα-helixtrans-102.3-25.6-176.560.40000115E73E73-S77 VanDerWaalsContact O-CB 3.32Å; E73-S77 WeakPolarHBondContact O-CB 3.27Å; E73-S77 PolarHBondContact O-N 2.66Å; E73-S77 PolarHBondContact O-OG 3.22Å
78L93.9Very high93.9Very high50 Ų5040.3 Ų40.326%0.26222%0.22SC..SBendtrans-122.4127.1-174.6-64.3176.3000112.1R74 R83R74-L78 HydrophobicContact CG-CD1 4.44Å; R74-L78 PolarHBondContact O-N 2.79Å; L78-R83 HydrophobicContact CB-CG 3.79Å; L78-R83 PolarHBondContact O-NE 2.88Å
79P96.2Very high94Very high11 Ų1141.6 Ų41.67%0.07123%0.225CC..  trans-67152.7175.229.6-34.3000111.1Y81 E82 R83 M244P79-Y81 HydrophobicContact CB-CD1 3.89Å; P79-Y81 HydrophobicContact CB-CD2 4.37Å; P79-Y81 HydrophobicContact CB-CE1 3.42Å; P79-Y81 VanDerWaalsContact CB-CE1 3.42Å; P79-Y81 HydrophobicContact CB-CE2 3.94Å; P79-Y81 HydrophobicContact CB-CG 4.35Å; P79-Y81 VanDerWaalsContact CB-CZ 3.45Å; P79-Y81 HydrophobicContact CG-CD1 4.42Å; P79-Y81 HydrophobicContact CG-CD2 4.04Å; P79-Y81 HydrophobicContact CG-CE1 3.87Å; P79-Y81 HydrophobicContact CG-CE2 3.41Å; P79-Y81 VanDerWaalsContact CG-CE2 3.41Å; P79-Y81 WeakPolarHBondContact CG-OH 2.97Å; P79-Y81 PolarHBondContact O-N 3.48Å; P79-Y81 VanDerWaalsContact O-N 3.11Å; P79-E82 HydrophobicContact CG-CB 4.23Å; P79-E82 HydrophobicContact CG-CG 3.92Å; P79-E82 PolarHBondContact O-N 3.48Å; P79-R83 PolarHBondContact O-N 2.97Å; P79-R83 VanDerWaalsContact O-N 3.09Å; P79-M244 CarbonylContact C-O 3.56Å; P79-M244 WeakPolarHBondContact CA-O 3.35Å; P79-M244 HydrophobicContact CB-SD 4.39Å
80I97.3Very high94.1Very high3 Ų335.5 Ų35.52%0.01520%0.201CC..Hα-helixtrans-57.7-31.4-174.5-170.563.3000112.7T56 E82 R83 V84 M244 Y247T56-I80 HydrophobicContact CG2-CG2 4.13Å; I80-E82 VanDerWaalsContact C-N 3.27Å; I80-E82 PolarHBondContact O-N 3.08Å; I80-R83 PolarHBondContact O-N 3.28Å; I80-V84 HydrophobicContact CD1-CG2 3.91Å; I80-V84 PolarHBondContact O-N 2.74Å; I80-M244 WeakPolarHBondContact CB-O 3.2Å; I80-M244 PolarHBondContact N-O 3.15Å; I80-Y247 HydrophobicContact CG2-CD2 4.38Å; I80-Y247 HydrophobicContact CG2-CE2 3.67Å
81Y94.6Very high93.9Very high22 Ų2231.2 Ų31.29%0.08617%0.174CC..Hα-helixtrans-73.5-15.9178.255.8-104000113.8L3 F5 P79 Y247 T249 L250L3-Y81 HydrophobicContact CD1-CD2 4.23Å; L3-Y81 HydrophobicContact CD1-CE2 4.38Å; F5-Y81 HydrophobicContact CE2-CE2 4.13Å; P79-Y81 HydrophobicContact CB-CD1 3.89Å; P79-Y81 HydrophobicContact CB-CD2 4.37Å; P79-Y81 HydrophobicContact CB-CE1 3.42Å; P79-Y81 VanDerWaalsContact CB-CE1 3.42Å; P79-Y81 HydrophobicContact CB-CE2 3.94Å; P79-Y81 HydrophobicContact CB-CG 4.35Å; P79-Y81 VanDerWaalsContact CB-CZ 3.45Å; P79-Y81 HydrophobicContact CG-CD1 4.42Å; P79-Y81 HydrophobicContact CG-CD2 4.04Å; P79-Y81 HydrophobicContact CG-CE1 3.87Å; P79-Y81 HydrophobicContact CG-CE2 3.41Å; P79-Y81 VanDerWaalsContact CG-CE2 3.41Å; P79-Y81 WeakPolarHBondContact CG-OH 2.97Å; P79-Y81 PolarHBondContact O-N 3.48Å; P79-Y81 VanDerWaalsContact O-N 3.11Å; Y81-Y247 AromaticContact CD1-CD1 3.76Å; Y81-Y247 HydrophobicContact CD1-CD1 3.76Å; Y81-Y247 AromaticContact CD1-CE1 3.67Å; Y81-Y247 HydrophobicContact CD1-CE1 3.67Å; Y81-Y247 HydrophobicContact CE1-CD1 4.32Å; Y81-Y247 HydrophobicContact CG-CE1 4.28Å; Y81-T249 PolarHBondContact OH-OG1 2.95Å; Y81-L250 HydrophobicContact CD1-CD1 4.32Å; Y81-L250 HydrophobicContact CD1-CD2 4.26Å; Y81-L250 HydrophobicContact CD1-CG 4.2Å; Y81-L250 HydrophobicContact CE1-CD1 4.27Å; Y81-L250 HydrophobicContact CE1-CD2 3.6Å; Y81-L250 HydrophobicContact CE1-CG 3.65Å; Y81-L250 HydrophobicContact CE2-CD2 3.96Å; Y81-L250 VanDerWaalsContact CZ-CD2 3.43Å
82E95.3Very high93.3Very high35 Ų3534.1 Ų34.116%0.16419%0.192CC..Hα-helixtrans-93.2-31.4168.9-69.5-174-166.200111.6L3 P79 I80L3-E82 PolarHBondContact N-OE1 3.22Å; P79-E82 HydrophobicContact CG-CB 4.23Å; P79-E82 HydrophobicContact CG-CG 3.92Å; P79-E82 PolarHBondContact O-N 3.48Å; I80-E82 VanDerWaalsContact C-N 3.27Å; I80-E82 PolarHBondContact O-N 3.08Å
83R96.8Very high93Very high1 Ų138 Ų380%0.00421%0.209CC..Hα-helixtrans-71.1-35.5174.5-67.5-173.3-78.9128.63.9112.6D63 L78 P79 I80 M244D63-R83 IonicContact OD1-NH1 3.24Å; D63-R83 IonicContact OD2-CZ 2.67Å; D63-R83 IonicContact OD2-NH1 2.62Å; D63-R83 PolarHBondContact OD2-NH1 3.31Å; L78-R83 HydrophobicContact CB-CG 3.79Å; L78-R83 PolarHBondContact O-NE 2.88Å; P79-R83 PolarHBondContact O-N 2.97Å; P79-R83 VanDerWaalsContact O-N 3.09Å; I80-R83 PolarHBondContact O-N 3.28Å; R83-M244 PolarHBondContact NH2-O 3.35Å
84V98.4Very high92.6Very high3 Ų334.3 Ų34.32%0.01819%0.193CC..SBendtrans-129.383-179.6-172.80000108.6I47 I80 L110 K112I47-V84 HydrophobicContact CD1-CG1 3.89Å; I80-V84 HydrophobicContact CD1-CG2 3.91Å; I80-V84 PolarHBondContact O-N 2.74Å; V84-L110 WeakPolarHBondContact CA-O 3.16Å; V84-L110 HydrophobicContact CB-CB 4.49Å; V84-L110 HydrophobicContact CG1-CB 4.16Å; V84-L110 HydrophobicContact CG2-CB 3.88Å; V84-L110 HydrophobicContact CG2-CD1 4.25Å; V84-K112 HydrophobicContact CG1-CB 3.88Å
85P97.9Very high92.5Very high0 Ų035.6 Ų35.60%020%0.204CC..  trans-58142.1-176.3-26.636.6000112.6L87 Q100 A101 L104 L110 K112P85-L87 PolarHBondContact O-N 3.46Å; P85-Q100 HydrophobicContact CB-CB 3.74Å; P85-Q100 HydrophobicContact CG-CB 3.86Å; P85-A101 HydrophobicContact CB-CB 4.27Å; P85-L104 VanDerWaalsContact CD-CD1 3.5Å; P85-L104 HydrophobicContact CG-CD1 3.74Å; P85-L104 HydrophobicContact CG-CD2 4.03Å; P85-L104 HydrophobicContact CG-CG 3.82Å; P85-L110 WeakPolarHBondContact CD-O 3.33Å; P85-K112 PolarHBondContact O-N 3.28Å
86F98.3Very high92.9Very high21 Ų2134.5 Ų34.59%0.09220%0.198CC..BIsolated β-bridgetrans-89.896.3178.2-172.913.3000109.9F28 E88 M89 G97 K112 H114 F175F28-F86 HydrophobicContact CD1-CE2 4.41Å; F28-F86 HydrophobicContact CD1-CZ 4.35Å; F28-F86 HydrophobicContact CE1-CD2 4.3Å; F28-F86 AromaticContact CE1-CE2 3.45Å; F28-F86 HydrophobicContact CE1-CE2 3.45Å; F28-F86 VanDerWaalsContact CE1-CE2 3.45Å; F28-F86 AromaticContact CE1-CZ 3.73Å; F28-F86 HydrophobicContact CE1-CZ 3.73Å; F28-F86 AromaticContact CZ-CE2 3.84Å; F28-F86 HydrophobicContact CZ-CE2 3.84Å; F28-F86 HydrophobicContact CZ-CZ 4.14Å; F86-E88 HydrophobicContact CD1-CG 4.34Å; F86-E88 HydrophobicContact CE1-CG 3.8Å; F86-E88 WeakPolarHBondContact CE1-OE1 3.15Å; F86-E88 WeakPolarHBondContact CE1-OE2 3.36Å; F86-E88 HydrophobicContact CZ-CG 4.15Å; F86-E88 PolarHBondContact O-N 3.42Å; F86-M89 HydrophobicContact CB-CB 4.04Å; F86-M89 HydrophobicContact CB-CE 4.4Å; F86-M89 HydrophobicContact CD2-CB 3.78Å; F86-M89 HydrophobicContact CD2-CG 4.29Å; F86-M89 HydrophobicContact CD2-SD 3.94Å; F86-M89 HydrophobicContact CE2-CB 4.44Å; F86-M89 HydrophobicContact CG-CB 3.98Å; F86-M89 VanDerWaalsContact O-CB 3.27Å; F86-M89 WeakPolarHBondContact O-CB 3.47Å; F86-M89 PolarHBondContact O-N 3.24Å; F86-G97 VanDerWaalsContact O-CA 3.31Å; F86-G97 WeakPolarHBondContact O-CA 3.12Å; F86-K112 HydrophobicContact CB-CD 4.32Å; F86-K112 HydrophobicContact CD1-CD 4.06Å; F86-K112 HydrophobicContact CD1-CG 3.96Å; F86-K112 HydrophobicContact CE1-CG 4.49Å; F86-K112 HydrophobicContact CG-CD 4.14Å; F86-K112 HydrophobicContact CG-CG 4.47Å; F86-H114 HydrophobicContact CE1-CB 4.22Å; F86-H114 AromaticContact CE1-CD2 3.75Å; F86-H114 HydrophobicContact CZ-CB 4.23Å; F86-H114 AromaticContact CZ-CD2 3.34Å; F86-H114 WeakPolarHBondContact CZ-CD2 3.27Å; F86-F175 HydrophobicContact CZ-CE2 4.45Å; F86-F175 AromaticContact CZ-CZ 3.98Å; F86-F175 HydrophobicContact CZ-CZ 3.98Å
87L98.6Very high93.3Very high0 Ų029.1 Ų29.10%017%0.165CC..THydrogen-bonded Turntrans-46.2-52.7-163.118062000114.4V35 F38 P85 M89 G97 K98 I111 K112 P121 F124V35-L87 HydrophobicContact CG1-CD2 4.48Å; V35-L87 HydrophobicContact CG1-CG 4.13Å; F38-L87 HydrophobicContact CD1-CD1 4.39Å; F38-L87 HydrophobicContact CD2-CD1 3.97Å; F38-L87 HydrophobicContact CE2-CD1 4.23Å; F38-L87 HydrophobicContact CG-CD1 4.03Å; P85-L87 PolarHBondContact O-N 3.46Å; L87-M89 VanDerWaalsContact C-N 3.3Å; L87-M89 PolarHBondContact O-N 3.27Å; L87-G97 CarbonylContact O-C 3.35Å; L87-K98 HydrophobicContact CD1-CB 4.35Å; L87-K98 PolarHBondContact O-N 3.34Å; L87-I111 HydrophobicContact CB-CG2 3.82Å; L87-I111 HydrophobicContact CD1-CG2 4.36Å; L87-I111 HydrophobicContact CD2-CG2 4.42Å; L87-I111 HydrophobicContact CG-CG2 4.43Å; L87-K112 PolarHBondContact N-O 2.8Å; L87-P121 HydrophobicContact CD2-CG 4.01Å; L87-F124 HydrophobicContact CD2-CE2 3.74Å; L87-F124 HydrophobicContact CD2-CZ 4.26Å
88E98.1Very high93.5Very high0 Ų027.5 Ų27.50%015%0.149CC..THydrogen-bonded Turntrans-80.6-5.9-17563.3-97.6-139.500114.9F28 F86 T90 S113 H114 F115 F175F28-E88 WeakPolarHBondContact CA-O 3.12Å; F28-E88 HydrophobicContact CB-CG 4.32Å; F28-E88 HydrophobicContact CD1-CG 3.81Å; F28-E88 HydrophobicContact CG-CG 4.33Å; F86-E88 HydrophobicContact CD1-CG 4.34Å; F86-E88 HydrophobicContact CE1-CG 3.8Å; F86-E88 WeakPolarHBondContact CE1-OE1 3.15Å; F86-E88 WeakPolarHBondContact CE1-OE2 3.36Å; F86-E88 HydrophobicContact CZ-CG 4.15Å; F86-E88 PolarHBondContact O-N 3.42Å; E88-T90 PolarHBondContact O-N 3.46Å; E88-S113 VanDerWaalsContact CD-OG 3.26Å; E88-S113 PolarHBondContact OE1-OG 2.73Å; E88-S113 VanDerWaalsContact OE1-OG 3.12Å; E88-S113 WeakPolarHBondContact OE2-CA 3.37Å; E88-S113 WeakPolarHBondContact OE2-CB 3.45Å; E88-S113 PolarHBondContact OE2-OG 3.08Å; E88-H114 WeakPolarHBondContact OE1-CA 3.49Å; E88-H114 PolarHBondContact OE1-N 2.93Å; E88-F115 HydrophobicContact CB-CD1 4.15Å; E88-F115 HydrophobicContact CB-CE1 3.36Å; E88-F115 HydrophobicContact CB-CE2 3.81Å; E88-F115 HydrophobicContact CB-CZ 3.17Å; E88-F115 HydrophobicContact CG-CD1 4.02Å; E88-F115 HydrophobicContact CG-CE1 3.61Å; E88-F115 HydrophobicContact CG-CZ 3.96Å; E88-F115 PolarHBondContact OE1-N 3.14Å; E88-F175 HydrophobicContact CG-CE1 4.22Å; E88-F175 HydrophobicContact CG-CZ 4.31Å; E88-F175 WeakPolarHBondContact OE1-CE1 3.2Å
89M95.8Very high93.7Very high32 Ų3227.8 Ų27.816%0.15815%0.151CC..  trans-74114.9-175.8-172.2175.268.700111.3F28 F86 L87 I91 G97F28-M89 HydrophobicContact CE1-CB 4.33Å; F28-M89 HydrophobicContact CE1-CG 4.42Å; F86-M89 HydrophobicContact CB-CB 4.04Å; F86-M89 HydrophobicContact CB-CE 4.4Å; F86-M89 HydrophobicContact CD2-CB 3.78Å; F86-M89 HydrophobicContact CD2-CG 4.29Å; F86-M89 HydrophobicContact CD2-SD 3.94Å; F86-M89 HydrophobicContact CE2-CB 4.44Å; F86-M89 HydrophobicContact CG-CB 3.98Å; F86-M89 VanDerWaalsContact O-CB 3.27Å; F86-M89 WeakPolarHBondContact O-CB 3.47Å; F86-M89 PolarHBondContact O-N 3.24Å; L87-M89 VanDerWaalsContact C-N 3.3Å; L87-M89 PolarHBondContact O-N 3.27Å; M89-I91 HydrophobicContact CG-CD1 4.21Å; M89-I91 HydrophobicContact CG-CG1 4.26Å; M89-I91 HydrophobicContact SD-CD1 4.09Å; M89-G97 PolarHBondContact O-N 3.36Å
90T92.9Very high93.7Very high25 Ų2528.4 Ų28.415%0.15315%0.153CC..  trans-126108.1173.4-560000109.6I27 N31 E88I27-T90 VanDerWaalsContact CA-O 3.3Å; I27-T90 WeakPolarHBondContact CA-O 3.27Å; I27-T90 WeakPolarHBondContact CB-O 3.32Å; I27-T90 PolarHBondContact O-N 3.22Å; N31-T90 HydrophobicContact CB-CG2 3.88Å; N31-T90 WeakPolarHBondContact CB-OG1 3.44Å; E88-T90 PolarHBondContact O-N 3.46Å
91I86.4Confident93.7Very high11 Ų1128.3 Ų28.36%0.05615%0.152CC..  trans-105.5128.7174.3-63.3165.9000107.1F5 M8 M89 N93 L94F5-I91 HydrophobicContact CD1-CD1 4.49Å; F5-I91 HydrophobicContact CE1-CD1 3.96Å; M8-I91 HydrophobicContact CE-CD1 4.25Å; M8-I91 HydrophobicContact CE-CG1 4.18Å; M8-I91 HydrophobicContact CE-CG2 3.94Å; M8-I91 HydrophobicContact CG-CG2 3.82Å; M8-I91 HydrophobicContact SD-CD1 3.88Å; M8-I91 HydrophobicContact SD-CG1 4.26Å; M8-I91 HydrophobicContact SD-CG2 3.54Å; M8-I91 VanDerWaalsContact SD-CG2 3.54Å; M89-I91 HydrophobicContact CG-CD1 4.21Å; M89-I91 HydrophobicContact CG-CG1 4.26Å; M89-I91 HydrophobicContact SD-CD1 4.09Å; I91-N93 PolarHBondContact O-N 2.93Å; I91-L94 HydrophobicContact CB-CB 4.14Å; I91-L94 HydrophobicContact CB-CD1 3.85Å; I91-L94 HydrophobicContact CB-CG 4.2Å; I91-L94 HydrophobicContact CD1-CD1 3.97Å; I91-L94 HydrophobicContact CG2-CB 4.39Å; I91-L94 HydrophobicContact CG2-CD1 3.61Å; I91-L94 HydrophobicContact CG2-CG 3.93Å; I91-L94 PolarHBondContact O-N 3.38Å; I91-L94 VanDerWaalsContact O-N 3.07Å
92P81.1Confident93.8Very high91 Ų9129.8 Ų29.859%0.59116%0.162SC*.THydrogen-bonded Turntrans-49.9136.7176.7-28.235.2000111.9L94P92-L94 PolarHBondContact O-N 2.93Å
93N81.8Confident93.9Very high147 Ų14735.3 Ų35.379%0.78619%0.185SC*.THydrogen-bonded Turntrans64.98-179.5-48.6-52.1000116.1I91I91-N93 PolarHBondContact O-N 2.93Å
94L85.1Confident93.8Very high29 Ų2935.9 Ų35.915%0.15219%0.188CC..SBendtrans-110.3159.2169.3-62.6-174.2000111.3L3 D4 F5 I91 P92 S96L3-L94 HydrophobicContact CD2-CB 4.23Å; D4-L94 VanDerWaalsContact O-CD2 3.24Å; D4-L94 WeakPolarHBondContact O-CD2 3.46Å; F5-L94 HydrophobicContact CD1-CD1 3.44Å; F5-L94 VanDerWaalsContact CD1-CD1 3.44Å; F5-L94 HydrophobicContact CE1-CD1 3.55Å; F5-L94 HydrophobicContact CG-CD1 4.23Å; F5-L94 HydrophobicContact CZ-CD1 4.4Å; I91-L94 HydrophobicContact CB-CB 4.14Å; I91-L94 HydrophobicContact CB-CD1 3.85Å; I91-L94 HydrophobicContact CB-CG 4.2Å; I91-L94 HydrophobicContact CD1-CD1 3.97Å; I91-L94 HydrophobicContact CG2-CB 4.39Å; I91-L94 HydrophobicContact CG2-CD1 3.61Å; I91-L94 HydrophobicContact CG2-CG 3.93Å; I91-L94 PolarHBondContact O-N 3.38Å; I91-L94 VanDerWaalsContact O-N 3.07Å; P92-L94 PolarHBondContact O-N 2.93Å; L94-S96 PolarHBondContact O-N 3.42Å
95V87.5Confident93.6Very high54 Ų5441 Ų4133%0.32722%0.222SC..  trans-65.3122.9172.1-174.40000108.4L3 D99 Q100L3-V95 HydrophobicContact CD2-CB 4.06Å; V95-D99 HydrophobicContact CG1-CB 3.72Å; V95-Q100 HydrophobicContact CB-CG 4.29Å; V95-Q100 HydrophobicContact CG1-CG 3.8Å; V95-Q100 PolarHBondContact O-NE2 2.87Å
96S94.4Very high93.5Very high5 Ų541.7 Ų41.74%0.03523%0.226CC..  trans-62.5154.6-179.8740000111.5L94 K98 D99 Q100L94-S96 PolarHBondContact O-N 3.42Å; S96-K98 PolarHBondContact O-N 3.12Å; S96-D99 PolarHBondContact O-N 2.91Å; S96-D99 VanDerWaalsContact O-N 3.14Å; S96-D99 WeakPolarHBondContact OG-CB 3.45Å; S96-D99 PolarHBondContact OG-N 3.38Å; S96-D99 PolarHBondContact OG-OD2 3.47Å; S96-Q100 WeakPolarHBondContact O-CG 3.46Å; S96-Q100 PolarHBondContact O-N 3.03Å
97G96.8Very high93.4Very high0 Ų045.5 Ų45.50%025%0.251CS..Hα-helixtrans-59.8-37175.900000112.8F86 L87 M89 Q100 A101F86-G97 VanDerWaalsContact O-CA 3.31Å; F86-G97 WeakPolarHBondContact O-CA 3.12Å; L87-G97 CarbonylContact O-C 3.35Å; M89-G97 PolarHBondContact O-N 3.36Å; G97-Q100 WeakPolarHBondContact O-CB 3.31Å; G97-Q100 PolarHBondContact O-N 2.84Å; G97-A101 WeakPolarHBondContact O-CB 3.42Å; G97-A101 PolarHBondContact O-N 2.87Å
98K97.2Very high93.4Very high38 Ų3846 Ų4617%0.16525%0.254CS..Hα-helixtrans-57-51.8169.8-175.8-80.5-171.9-177.30111.7V35 F38 L87 S96 Q100 A101 D102V35-K98 HydrophobicContact CG2-CB 4.27Å; F38-K98 HydrophobicContact CD2-CG 3.99Å; L87-K98 HydrophobicContact CD1-CB 4.35Å; L87-K98 PolarHBondContact O-N 3.34Å; S96-K98 PolarHBondContact O-N 3.12Å; K98-Q100 VanDerWaalsContact C-N 3.28Å; K98-Q100 PolarHBondContact O-N 2.85Å; K98-A101 WeakPolarHBondContact O-CB 3.25Å; K98-A101 PolarHBondContact O-N 3.48Å; K98-A101 VanDerWaalsContact O-N 3.15Å; K98-D102 WeakPolarHBondContact CD-OD2 3.37Å; K98-D102 WeakPolarHBondContact CE-OD2 3.38Å; K98-D102 IonicContact NZ-OD2 3.68Å; K98-D102 PolarHBondContact NZ-OD2 2.96Å; K98-D102 PolarHBondContact O-N 3.29Å
99D96.5Very high93.4Very high56 Ų5646 Ų4630%0.29925%0.254SS..Hα-helixtrans-66.4-32.5-179.5-62.9-40000112.3V95 S96 K103V95-D99 HydrophobicContact CG1-CB 3.72Å; S96-D99 PolarHBondContact O-N 2.91Å; S96-D99 VanDerWaalsContact O-N 3.14Å; S96-D99 WeakPolarHBondContact OG-CB 3.45Å; S96-D99 PolarHBondContact OG-N 3.38Å; S96-D99 PolarHBondContact OG-OD2 3.47Å; D99-K103 WeakPolarHBondContact O-CB 3.17Å; D99-K103 WeakPolarHBondContact O-CD 3.44Å; D99-K103 VanDerWaalsContact O-CG 3.26Å; D99-K103 WeakPolarHBondContact O-CG 3.23Å; D99-K103 PolarHBondContact O-N 3.02Å
100Q96.8Very high93.5Very high24 Ų2444.6 Ų44.611%0.11225%0.247CC..Hα-helixtrans-64.3-46.3171.5-72.1175.465.300110.9P85 V95 S96 G97 K98 D102 K103 L104P85-Q100 HydrophobicContact CB-CB 3.74Å; P85-Q100 HydrophobicContact CG-CB 3.86Å; V95-Q100 HydrophobicContact CB-CG 4.29Å; V95-Q100 HydrophobicContact CG1-CG 3.8Å; V95-Q100 PolarHBondContact O-NE2 2.87Å; S96-Q100 WeakPolarHBondContact O-CG 3.46Å; S96-Q100 PolarHBondContact O-N 3.03Å; G97-Q100 WeakPolarHBondContact O-CB 3.31Å; G97-Q100 PolarHBondContact O-N 2.84Å; K98-Q100 VanDerWaalsContact C-N 3.28Å; K98-Q100 PolarHBondContact O-N 2.85Å; Q100-D102 VanDerWaalsContact C-N 3.35Å; Q100-D102 PolarHBondContact O-N 3.17Å; Q100-K103 CarbonylContact O-C 3.59Å; Q100-K103 PolarHBondContact O-N 3.47Å; Q100-L104 PolarHBondContact O-N 3.28Å
101A97.9Very high93.8Very high0 Ų043.4 Ų43.40%024%0.24CC..Hα-helixtrans-62.1-39.3176.800000112.4F38 P85 G97 K98 K103 L104 R109 I111F38-A101 HydrophobicContact CE2-CB 3.85Å; F38-A101 HydrophobicContact CZ-CB 4.13Å; P85-A101 HydrophobicContact CB-CB 4.27Å; G97-A101 WeakPolarHBondContact O-CB 3.42Å; G97-A101 PolarHBondContact O-N 2.87Å; K98-A101 WeakPolarHBondContact O-CB 3.25Å; K98-A101 PolarHBondContact O-N 3.48Å; K98-A101 VanDerWaalsContact O-N 3.15Å; A101-K103 VanDerWaalsContact C-N 3.3Å; A101-K103 PolarHBondContact O-N 2.94Å; A101-L104 PolarHBondContact O-N 3.2Å; A101-R109 WeakPolarHBondContact O-CD 3.46Å; A101-R109 PolarHBondContact O-NH1 3.46Å; A101-I111 HydrophobicContact CB-CD1 4.23Å; A101-I111 HydrophobicContact CB-CG1 4.23Å
102D97.1Very high94.4Very high53 Ų5343.9 Ų43.928%0.28324%0.241SC..Hα-helixtrans-62.8-37175-77.4-17.1000112.9F38 K98 Q100 R109F38-D102 WeakPolarHBondContact CE2-OD1 3.5Å; K98-D102 WeakPolarHBondContact CD-OD2 3.37Å; K98-D102 WeakPolarHBondContact CE-OD2 3.38Å; K98-D102 IonicContact NZ-OD2 3.68Å; K98-D102 PolarHBondContact NZ-OD2 2.96Å; K98-D102 PolarHBondContact O-N 3.29Å; Q100-D102 VanDerWaalsContact C-N 3.35Å; Q100-D102 PolarHBondContact O-N 3.17Å; D102-R109 IonicContact OD1-NH1 3.71Å
103K96.1Very high95.2Very high152 Ų15239.6 Ų39.666%0.66121%0.214SC*.THydrogen-bonded Turntrans-91.10.7-176.3-66.8170.6-173.2169.20113.8D99 Q100 A101 P105D99-K103 WeakPolarHBondContact O-CB 3.17Å; D99-K103 WeakPolarHBondContact O-CD 3.44Å; D99-K103 VanDerWaalsContact O-CG 3.26Å; D99-K103 WeakPolarHBondContact O-CG 3.23Å; D99-K103 PolarHBondContact O-N 3.02Å; Q100-K103 CarbonylContact O-C 3.59Å; Q100-K103 PolarHBondContact O-N 3.47Å; A101-K103 VanDerWaalsContact C-N 3.3Å; A101-K103 PolarHBondContact O-N 2.94Å; K103-P105 WeakPolarHBondContact O-CD 3.49Å
104L95.9Very high96.1Very high13 Ų1333.2 Ų33.27%0.06818%0.179CC..  trans-60.1124.1176.3-85.5-179.7000110.1P85 Q100 A101 T106 R109P85-L104 VanDerWaalsContact CD-CD1 3.5Å; P85-L104 HydrophobicContact CG-CD1 3.74Å; P85-L104 HydrophobicContact CG-CD2 4.03Å; P85-L104 HydrophobicContact CG-CG 3.82Å; Q100-L104 PolarHBondContact O-N 3.28Å; A101-L104 PolarHBondContact O-N 3.2Å; L104-T106 PolarHBondContact O-N 2.85Å; L104-R109 HydrophobicContact CB-CG 4.06Å; L104-R109 HydrophobicContact CD1-CB 3.92Å; L104-R109 HydrophobicContact CD1-CG 4.31Å
105P93.8Very high96.7Very high111 Ų11131.9 Ų31.972%0.72117%0.172SC*.  trans-82.5-3.7-179.534.6-36.6000112.8K103K103-P105 WeakPolarHBondContact O-CD 3.49Å
106T95.8Very high97.2Very high14 Ų1429.6 Ų29.69%0.08616%0.158CC..SBendtrans-84.3156.6-175.1620000112F67 L104 P108F67-T106 HydrophobicContact CE1-CG2 4.17Å; F67-T106 HydrophobicContact CE2-CG2 4.31Å; F67-T106 HydrophobicContact CZ-CG2 4.03Å; L104-T106 PolarHBondContact O-N 2.85Å; T106-P108 CarbonylContact C-O 3.56Å; T106-P108 PolarHBondContact OG1-O 3.45Å
107T96.1Very high97.4Very high100 Ų10030.3 Ų30.361%0.61316%0.163SC*.SBendtrans-137.6114.6171.8-68.80000107.1D43D43-T107 VanDerWaalsContact OD2-CG2 3.27Å; D43-T107 WeakPolarHBondContact OD2-CG2 3.43Å
108P97.8Very high97.5Very high10 Ų1035.2 Ų35.27%0.06519%0.186CC..SBendcis-70.4166.8033.3-37.7000113.5D43 I45 Y66 F67 T106D43-P108 WeakPolarHBondContact O-CB 3.12Å; D43-P108 WeakPolarHBondContact OD2-CA 3.46Å; I45-P108 HydrophobicContact CD1-CB 4.44Å; I45-P108 HydrophobicContact CD1-CG 4.04Å; I45-P108 HydrophobicContact CG1-CB 4.33Å; I45-P108 HydrophobicContact CG1-CG 4.45Å; Y66-P108 HydrophobicContact CD1-CG 3.67Å; Y66-P108 HydrophobicContact CD2-CG 4.15Å; Y66-P108 VanDerWaalsContact CE1-CD 3.46Å; Y66-P108 HydrophobicContact CE1-CG 3.47Å; Y66-P108 VanDerWaalsContact CE1-CG 3.47Å; Y66-P108 HydrophobicContact CE2-CG 3.96Å; Y66-P108 HydrophobicContact CG-CG 4.02Å; F67-P108 WeakPolarHBondContact CZ-O 3.42Å; T106-P108 CarbonylContact C-O 3.56Å; T106-P108 PolarHBondContact OG1-O 3.45Å
109R98.6Very high97.6Very high2 Ų233.8 Ų33.81%0.00818%0.179CC..PPolyproline II helixtrans-84.6129.4164.3-55.3-174.9-71.9-178.8-1.1109.3Q39 D44 I45 A101 D102 L104 I111Q39-R109 PolarHBondContact O-NH2 3.1Å; D44-R109 VanDerWaalsContact OD1-CB 3.29Å; D44-R109 WeakPolarHBondContact OD1-CB 3.27Å; D44-R109 WeakPolarHBondContact OD1-CG 3.26Å; D44-R109 IonicContact OD1-CZ 3.86Å; D44-R109 IonicContact OD1-NE 3.69Å; D44-R109 PolarHBondContact OD1-NE 3.33Å; D44-R109 IonicContact OD1-NH2 3.57Å; D44-R109 IonicContact OD2-CZ 3.52Å; D44-R109 IonicContact OD2-NE 3.72Å; D44-R109 PolarHBondContact OD2-NE 3.01Å; D44-R109 IonicContact OD2-NH2 2.66Å; D44-R109 PolarHBondContact OD2-NH2 3.32Å; I45-R109 PolarHBondContact N-O 2.81Å; A101-R109 WeakPolarHBondContact O-CD 3.46Å; A101-R109 PolarHBondContact O-NH1 3.46Å; D102-R109 IonicContact OD1-NH1 3.71Å; L104-R109 HydrophobicContact CB-CG 4.06Å; L104-R109 HydrophobicContact CD1-CB 3.92Å; L104-R109 HydrophobicContact CD1-CG 4.31Å; R109-I111 HydrophobicContact CB-CD1 4.22Å; R109-I111 HydrophobicContact CB-CG1 4.18Å
110L98.8Very high97.7Very high1 Ų131.3 Ų31.31%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-94.6119.9170.3-58.2-177.4000108.2I45 L62 D63 Y66 F67 V84 P85I45-L110 HydrophobicContact CB-CD2 3.91Å; I45-L110 HydrophobicContact CD1-CD2 4.01Å; I45-L110 HydrophobicContact CG1-CD2 4.34Å; I45-L110 HydrophobicContact CG2-CD2 4.42Å; L62-L110 HydrophobicContact CB-CD1 3.88Å; L62-L110 HydrophobicContact CB-CD2 4.23Å; D63-L110 HydrophobicContact CB-CD1 4.03Å; Y66-L110 HydrophobicContact CD2-CD2 4.2Å; Y66-L110 HydrophobicContact CE2-CD2 4.45Å; F67-L110 HydrophobicContact CE2-CD1 3.98Å; F67-L110 HydrophobicContact CE2-CG 4.2Å; V84-L110 WeakPolarHBondContact CA-O 3.16Å; V84-L110 HydrophobicContact CB-CB 4.49Å; V84-L110 HydrophobicContact CG1-CB 4.16Å; V84-L110 HydrophobicContact CG2-CB 3.88Å; V84-L110 HydrophobicContact CG2-CD1 4.25Å; P85-L110 WeakPolarHBondContact CD-O 3.33Å
111I98.9Very high97.8Very high0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-126.2128.6-173.3-58.2169.1000108.6F38 D44 I45 L46 I47 L87 A101 R109 F124F38-I111 HydrophobicContact CE1-CD1 3.89Å; F38-I111 HydrophobicContact CZ-CD1 3.59Å; D44-I111 HydrophobicContact CB-CD1 4.44Å; I45-I111 PolarHBondContact O-N 3.04Å; L46-I111 CarbonylContact C-O 3.45Å; L46-I111 HydrophobicContact CD1-CB 4.49Å; L46-I111 HydrophobicContact CD1-CG2 4.24Å; I47-I111 PolarHBondContact N-O 2.96Å; L87-I111 HydrophobicContact CB-CG2 3.82Å; L87-I111 HydrophobicContact CD1-CG2 4.36Å; L87-I111 HydrophobicContact CD2-CG2 4.42Å; L87-I111 HydrophobicContact CG-CG2 4.43Å; A101-I111 HydrophobicContact CB-CD1 4.23Å; A101-I111 HydrophobicContact CB-CG1 4.23Å; R109-I111 HydrophobicContact CB-CD1 4.22Å; R109-I111 HydrophobicContact CB-CG1 4.18Å; I111-F124 HydrophobicContact CD1-CE1 4.25Å; I111-F124 HydrophobicContact CD1-CZ 4Å; I111-F124 HydrophobicContact CG2-CZ 4.44Å
112K98.8Very high97.8Very high21 Ų2137.3 Ų37.39%0.09119%0.192CC..EExtended strand (participates in β ladder)trans-93.6141.8177.3168.4-173.2174-155.90110.2I47 T55 V84 P85 F86 L87 H114I47-K112 CarbonylContact O-C 3.6Å; I47-K112 WeakPolarHBondContact O-CA 3.32Å; T55-K112 HydrophobicContact CG2-CD 3.84Å; T55-K112 HydrophobicContact CG2-CG 3.73Å; V84-K112 HydrophobicContact CG1-CB 3.88Å; P85-K112 PolarHBondContact O-N 3.28Å; F86-K112 HydrophobicContact CB-CD 4.32Å; F86-K112 HydrophobicContact CD1-CD 4.06Å; F86-K112 HydrophobicContact CD1-CG 3.96Å; F86-K112 HydrophobicContact CE1-CG 4.49Å; F86-K112 HydrophobicContact CG-CD 4.14Å; F86-K112 HydrophobicContact CG-CG 4.47Å; L87-K112 PolarHBondContact N-O 2.8Å; K112-H114 VanDerWaalsContact CE-CE1 3.49Å; K112-H114 WeakPolarHBondContact CE-CE1 3.38Å; K112-H114 WeakPolarHBondContact CE-NE2 3.49Å; K112-H114 PolarHBondContact NZ-NE2 3.42Å
113S98.9Very high97.9Very high2 Ų235.1 Ų35.11%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-144.4155.4164.4-169.10000112.9I47 A48 T49 E88 F115I47-S113 PolarHBondContact O-N 3.19Å; A48-S113 WeakPolarHBondContact CA-O 3.27Å; T49-S113 PolarHBondContact N-O 3.17Å; E88-S113 VanDerWaalsContact CD-OG 3.26Å; E88-S113 PolarHBondContact OE1-OG 2.73Å; E88-S113 VanDerWaalsContact OE1-OG 3.12Å; E88-S113 WeakPolarHBondContact OE2-CA 3.37Å; E88-S113 WeakPolarHBondContact OE2-CB 3.45Å; E88-S113 PolarHBondContact OE2-OG 3.08Å; S113-F115 WeakPolarHBondContact OG-CB 3.23Å; S113-F115 PolarHBondContact OG-N 3.35Å; S113-F115 VanDerWaalsContact OG-N 3.11Å
114H98.9Very high98Very high13 Ų1327.9 Ų27.96%0.0615%0.149CC..  trans-115.411.6168.4-69.5-42.1000111.8T49 P51 T55 F86 E88 K112 F175 H181T49-H114 WeakPolarHBondContact O-CA 3.4Å; T49-H114 PolarHBondContact O-ND1 3.22Å; T49-H114 PolarHBondContact OG1-CE1 3.12Å; T49-H114 PolarHBondContact OG1-ND1 3.13Å; T49-H114 VanDerWaalsContact OG1-ND1 3.08Å; P51-H114 HydrophobicContact CG-CB 4.3Å; T55-H114 PolarHBondContact OG1-CE1 2.84Å; T55-H114 VanDerWaalsContact OG1-CE1 3.3Å; F86-H114 HydrophobicContact CE1-CB 4.22Å; F86-H114 AromaticContact CE1-CD2 3.75Å; F86-H114 HydrophobicContact CZ-CB 4.23Å; F86-H114 AromaticContact CZ-CD2 3.34Å; F86-H114 WeakPolarHBondContact CZ-CD2 3.27Å; E88-H114 WeakPolarHBondContact OE1-CA 3.49Å; E88-H114 PolarHBondContact OE1-N 2.93Å; K112-H114 VanDerWaalsContact CE-CE1 3.49Å; K112-H114 WeakPolarHBondContact CE-CE1 3.38Å; K112-H114 WeakPolarHBondContact CE-NE2 3.49Å; K112-H114 PolarHBondContact NZ-NE2 3.42Å; H114-F175 HydrophobicContact CB-CD1 3.91Å; H114-F175 HydrophobicContact CB-CD2 3.73Å; H114-F175 HydrophobicContact CB-CE1 3.72Å; H114-F175 HydrophobicContact CB-CE2 3.54Å; H114-F175 HydrophobicContact CB-CG 3.91Å; H114-F175 HydrophobicContact CB-CZ 3.54Å; H114-F175 WeakPolarHBondContact O-CD1 3.27Å; H114-F175 WeakPolarHBondContact O-CG 3.35Å; H114-H181 PolarHBondContact O-NE2 3Å; H114-H181 VanDerWaalsContact O-NE2 3.09Å
115F98.8Very high98.1Very high0 Ų029.5 Ų29.50%016%0.155CC..  trans-63136.9178.3-80.5-16.8000112.7M24 W32 V35 E88 S113 F119 V120 F175 H181 W185M24-F115 HydrophobicContact CE-CD1 4.48Å; M24-F115 HydrophobicContact CE-CE1 4.05Å; W32-F115 HydrophobicContact CE3-CZ 4.05Å; W32-F115 HydrophobicContact CZ3-CE1 4.11Å; W32-F115 AromaticContact CZ3-CE2 3.95Å; W32-F115 HydrophobicContact CZ3-CE2 3.95Å; W32-F115 AromaticContact CZ3-CZ 3.54Å; W32-F115 HydrophobicContact CZ3-CZ 3.54Å; V35-F115 HydrophobicContact CG1-CE2 3.64Å; V35-F115 HydrophobicContact CG1-CZ 4.06Å; E88-F115 HydrophobicContact CB-CD1 4.15Å; E88-F115 HydrophobicContact CB-CE1 3.36Å; E88-F115 HydrophobicContact CB-CE2 3.81Å; E88-F115 HydrophobicContact CB-CZ 3.17Å; E88-F115 HydrophobicContact CG-CD1 4.02Å; E88-F115 HydrophobicContact CG-CE1 3.61Å; E88-F115 HydrophobicContact CG-CZ 3.96Å; E88-F115 PolarHBondContact OE1-N 3.14Å; S113-F115 WeakPolarHBondContact OG-CB 3.23Å; S113-F115 PolarHBondContact OG-N 3.35Å; S113-F115 VanDerWaalsContact OG-N 3.11Å; F115-F119 HydrophobicContact CB-CB 3.82Å; F115-F119 HydrophobicContact CD1-CB 4.04Å; F115-F119 HydrophobicContact CD1-CD2 4.3Å; F115-F119 HydrophobicContact CD2-CB 3.93Å; F115-F119 WeakPolarHBondContact CD2-O 3.39Å; F115-F119 HydrophobicContact CE2-CB 4.42Å; F115-F119 WeakPolarHBondContact CE2-O 3.44Å; F115-F119 HydrophobicContact CG-CB 3.69Å; F115-V120 HydrophobicContact CB-CG2 4.39Å; F115-F175 HydrophobicContact CD1-CD1 4.3Å; F115-F175 AromaticContact CD1-CE1 3.94Å; F115-F175 HydrophobicContact CD1-CE1 3.94Å; F115-F175 HydrophobicContact CE1-CE1 4.36Å; F115-H181 PolarHBondContact O-NE2 3.32Å; F115-W185 PolarHBondContact O-NE1 3.23Å; F115-W185 VanDerWaalsContact O-NE1 3.14Å
116P98.7Very high98.3Very high6 Ų631 Ų314%0.03915%0.152CC..  trans-62.7155.9162.431.9-36.5000109.1V22 Q118 F119V22-P116 HydrophobicContact CG1-CG 4.42Å; V22-P116 HydrophobicContact CG2-CG 4.22Å; P116-Q118 PolarHBondContact O-N 3Å; P116-F119 HydrophobicContact CG-CB 4.25Å; P116-F119 HydrophobicContact CG-CD2 3.63Å; P116-F119 HydrophobicContact CG-CE2 4.05Å; P116-F119 HydrophobicContact CG-CG 3.93Å; P116-F119 PolarHBondContact O-N 2.65Å
117V98.3Very high98.4Very high21 Ų2134.2 Ų34.213%0.12717%0.166CC..G310 helixtrans-48.2-42-171.21750000113.1F119 V120 W125 N184 W185 K188V117-F119 PolarHBondContact O-N 2.98Å; V117-V120 PolarHBondContact O-N 2.87Å; V117-W125 HydrophobicContact CG1-CH2 4.23Å; V117-W125 HydrophobicContact CG1-CZ2 3.97Å; V117-N184 HydrophobicContact CG2-CB 4.2Å; V117-W185 HydrophobicContact CG2-CB 4.1Å; V117-W185 HydrophobicContact CG2-CD2 3.57Å; V117-W185 HydrophobicContact CG2-CE3 4.22Å; V117-W185 HydrophobicContact CG2-CG 3.48Å; V117-W185 VanDerWaalsContact CG2-CG 3.48Å; V117-W185 HydrophobicContact CG2-CZ2 4.48Å; V117-K188 HydrophobicContact CG1-CB 4.33Å; V117-K188 HydrophobicContact CG1-CD 3.97Å; V117-K188 HydrophobicContact CG1-CG 4.08Å; V117-K188 HydrophobicContact CG2-CB 4.33Å
118Q98.1Very high98.4Very high103 Ų10333 Ų3348%0.48116%0.156SC..G310 helixtrans-66.7-15.3-177.968.5-85.816.900114.5P116P116-Q118 PolarHBondContact O-N 3Å
119F98.8Very high98.5Very high7 Ų732.5 Ų32.53%0.03115%0.153CC..G310 helixtrans-101.8-9.3179.6-69.1-3.7000113.3F19 H20 V22 M24 W32 Q36 F115 P116 V117F19-F119 HydrophobicContact CD1-CE2 4.07Å; F19-F119 HydrophobicContact CD1-CZ 4.14Å; F19-F119 WeakPolarHBondContact O-CZ 3.47Å; H20-F119 HydrophobicContact CB-CE1 3.94Å; H20-F119 HydrophobicContact CB-CZ 3.97Å; V22-F119 HydrophobicContact CB-CE2 3.69Å; V22-F119 HydrophobicContact CB-CZ 3.77Å; V22-F119 HydrophobicContact CG1-CE2 4.06Å; V22-F119 HydrophobicContact CG2-CE1 4.38Å; V22-F119 HydrophobicContact CG2-CE2 3.72Å; V22-F119 HydrophobicContact CG2-CZ 3.49Å; V22-F119 VanDerWaalsContact CG2-CZ 3.49Å; M24-F119 HydrophobicContact CG-CE2 4.5Å; W32-F119 HydrophobicContact CH2-CB 3.64Å; W32-F119 AromaticContact CH2-CD1 3.63Å; W32-F119 HydrophobicContact CH2-CD1 3.63Å; W32-F119 HydrophobicContact CH2-CD2 4.13Å; W32-F119 HydrophobicContact CH2-CE1 4.37Å; W32-F119 AromaticContact CH2-CG 3.53Å; W32-F119 HydrophobicContact CH2-CG 3.53Å; W32-F119 HydrophobicContact CZ2-CD1 4.29Å; W32-F119 HydrophobicContact CZ3-CB 4.04Å; W32-F119 HydrophobicContact CZ3-CD2 4.26Å; W32-F119 HydrophobicContact CZ3-CG 4.05Å; Q36-F119 PolarHBondContact NE2-O 2.98Å; F115-F119 HydrophobicContact CB-CB 3.82Å; F115-F119 HydrophobicContact CD1-CB 4.04Å; F115-F119 HydrophobicContact CD1-CD2 4.3Å; F115-F119 HydrophobicContact CD2-CB 3.93Å; F115-F119 WeakPolarHBondContact CD2-O 3.39Å; F115-F119 HydrophobicContact CE2-CB 4.42Å; F115-F119 WeakPolarHBondContact CE2-O 3.44Å; F115-F119 HydrophobicContact CG-CB 3.69Å; P116-F119 HydrophobicContact CG-CB 4.25Å; P116-F119 HydrophobicContact CG-CD2 3.63Å; P116-F119 HydrophobicContact CG-CE2 4.05Å; P116-F119 HydrophobicContact CG-CG 3.93Å; P116-F119 PolarHBondContact O-N 2.65Å; V117-F119 PolarHBondContact O-N 2.98Å
120V98.7Very high98.5Very high5 Ų535.3 Ų35.33%0.0316%0.163CC..SBendtrans-62.5126.6175.9177.10000109.5L46 F115 V117 K122 F124 W125 W185L46-V120 HydrophobicContact CD2-CG1 3.72Å; L46-V120 HydrophobicContact CD2-CG2 4.46Å; F115-V120 HydrophobicContact CB-CG2 4.39Å; V117-V120 PolarHBondContact O-N 2.87Å; V120-K122 PolarHBondContact O-N 3.24Å; V120-F124 HydrophobicContact CG1-CB 4.08Å; V120-F124 HydrophobicContact CG1-CD2 4.1Å; V120-F124 HydrophobicContact CG1-CG 4.39Å; V120-W125 HydrophobicContact CB-CZ2 3.62Å; V120-W125 HydrophobicContact CG1-CZ2 3.71Å; V120-W125 HydrophobicContact CG2-CZ2 3.95Å; V120-W125 PolarHBondContact O-NE1 3.43Å; V120-W185 HydrophobicContact CG2-CH2 3.8Å; V120-W185 HydrophobicContact CG2-CZ2 3.52Å
121P98.7Very high98.5Very high0 Ų035.3 Ų35.30%016%0.163CC..  trans-53.8138.8-178.8-29.236.5000112.8V35 F38 L87 S123 F124V35-P121 HydrophobicContact CG1-CG 4.27Å; V35-P121 WeakPolarHBondContact O-CG 3.27Å; F38-P121 HydrophobicContact CB-CB 4.39Å; F38-P121 HydrophobicContact CB-CG 4.43Å; L87-P121 HydrophobicContact CD2-CG 4.01Å; P121-S123 PolarHBondContact O-N 3.17Å; P121-S123 VanDerWaalsContact O-N 3.13Å; P121-F124 HydrophobicContact CB-CD2 4.07Å; P121-F124 HydrophobicContact CB-CE2 4.4Å; P121-F124 HydrophobicContact CG-CD2 4.27Å; P121-F124 HydrophobicContact CG-CE2 4.25Å; P121-F124 PolarHBondContact O-N 2.76Å; P121-F124 VanDerWaalsContact O-N 3.12Å
122K98.3Very high98.5Very high149 Ų14935.3 Ų35.365%0.64816%0.163SC*.Hα-helixtrans-55.8-35.8-173.2-69.8-177.3-178.1175.10113.4V120 F124 W125 E126V120-K122 PolarHBondContact O-N 3.24Å; K122-F124 PolarHBondContact O-N 2.95Å; K122-F124 VanDerWaalsContact O-N 3.16Å; K122-W125 WeakPolarHBondContact O-CB 3.41Å; K122-W125 PolarHBondContact O-N 3.44Å; K122-E126 WeakPolarHBondContact O-CG 3.25Å; K122-E126 PolarHBondContact O-N 2.78Å
123S98.6Very high98.5Very high7 Ų734.3 Ų34.35%0.04916%0.159CC..Hα-helixtrans-56-33.6-179.268.10000113.4F38 A40 P121 W125 E126 Q127F38-S123 WeakPolarHBondContact O-CB 3.49Å; F38-S123 PolarHBondContact O-OG 2.87Å; A40-S123 VanDerWaalsContact CB-OG 3.26Å; A40-S123 WeakPolarHBondContact CB-OG 3.37Å; A40-S123 PolarHBondContact N-OG 2.86Å; A40-S123 VanDerWaalsContact N-OG 3.11Å; P121-S123 PolarHBondContact O-N 3.17Å; P121-S123 VanDerWaalsContact O-N 3.13Å; S123-W125 VanDerWaalsContact C-N 3.3Å; S123-W125 PolarHBondContact O-N 3.05Å; S123-E126 PolarHBondContact O-N 3.39Å; S123-Q127 VanDerWaalsContact O-CB 3.27Å; S123-Q127 WeakPolarHBondContact O-CB 3.29Å; S123-Q127 WeakPolarHBondContact O-CG 3.48Å; S123-Q127 PolarHBondContact O-N 2.87Å
124F98.6Very high98.5Very high0 Ų034.2 Ų34.20%016%0.158CC..Hα-helixtrans-65-37.3178.5-78-74.9000111.9F38 A40 D44 L46 L87 I111 V120 P121 K122 N128 C129 M131F38-F124 HydrophobicContact CD1-CD2 4.47Å; F38-F124 AromaticContact CD1-CE2 3.62Å; F38-F124 HydrophobicContact CD1-CE2 3.62Å; F38-F124 AromaticContact CD1-CZ 3.8Å; F38-F124 HydrophobicContact CD1-CZ 3.8Å; F38-F124 HydrophobicContact CE1-CE1 4.22Å; F38-F124 AromaticContact CE1-CE2 3.82Å; F38-F124 HydrophobicContact CE1-CE2 3.82Å; F38-F124 AromaticContact CE1-CZ 3.46Å; F38-F124 HydrophobicContact CE1-CZ 3.46Å; F38-F124 VanDerWaalsContact CE1-CZ 3.46Å; F38-F124 HydrophobicContact CZ-CZ 4.49Å; A40-F124 HydrophobicContact CB-CD1 3.74Å; A40-F124 HydrophobicContact CB-CD2 4.39Å; A40-F124 HydrophobicContact CB-CE1 3.96Å; A40-F124 HydrophobicContact CB-CG 3.97Å; A40-F124 HydrophobicContact CB-CZ 4.38Å; D44-F124 HydrophobicContact CB-CE1 4.3Å; L46-F124 HydrophobicContact CB-CD1 4.08Å; L46-F124 HydrophobicContact CB-CE1 3.98Å; L46-F124 HydrophobicContact CD1-CE1 4.25Å; L46-F124 HydrophobicContact CD1-CE2 4.34Å; L46-F124 HydrophobicContact CD1-CZ 4Å; L46-F124 HydrophobicContact CD2-CD1 4.39Å; L46-F124 HydrophobicContact CD2-CD2 4.39Å; L46-F124 HydrophobicContact CD2-CG 4.28Å; L87-F124 HydrophobicContact CD2-CE2 3.74Å; L87-F124 HydrophobicContact CD2-CZ 4.26Å; I111-F124 HydrophobicContact CD1-CE1 4.25Å; I111-F124 HydrophobicContact CD1-CZ 4Å; I111-F124 HydrophobicContact CG2-CZ 4.44Å; V120-F124 HydrophobicContact CG1-CB 4.08Å; V120-F124 HydrophobicContact CG1-CD2 4.1Å; V120-F124 HydrophobicContact CG1-CG 4.39Å; P121-F124 HydrophobicContact CB-CD2 4.07Å; P121-F124 HydrophobicContact CB-CE2 4.4Å; P121-F124 HydrophobicContact CG-CD2 4.27Å; P121-F124 HydrophobicContact CG-CE2 4.25Å; P121-F124 PolarHBondContact O-N 2.76Å; P121-F124 VanDerWaalsContact O-N 3.12Å; K122-F124 PolarHBondContact O-N 2.95Å; K122-F124 VanDerWaalsContact O-N 3.16Å; F124-N128 PolarHBondContact O-N 3.39Å; F124-C129 HydrophobicContact CD1-CB 3.9Å; F124-C129 PolarHBondContact O-N 2.99Å; F124-M131 HydrophobicContact CB-CE 3.67Å
125W98Very high98.5Very high48 Ų4833.6 Ų33.618%0.18216%0.155CC..Hα-helixtrans-73.9-43.9176.3-49.8114.3000111.3V117 V120 K122 S123 N128 M131 W185 K188 H192 I195V117-W125 HydrophobicContact CG1-CH2 4.23Å; V117-W125 HydrophobicContact CG1-CZ2 3.97Å; V120-W125 HydrophobicContact CB-CZ2 3.62Å; V120-W125 HydrophobicContact CG1-CZ2 3.71Å; V120-W125 HydrophobicContact CG2-CZ2 3.95Å; V120-W125 PolarHBondContact O-NE1 3.43Å; K122-W125 WeakPolarHBondContact O-CB 3.41Å; K122-W125 PolarHBondContact O-N 3.44Å; S123-W125 VanDerWaalsContact C-N 3.3Å; S123-W125 PolarHBondContact O-N 3.05Å; W125-N128 PolarHBondContact O-N 3.43Å; W125-N128 VanDerWaalsContact O-N 3.14Å; W125-M131 HydrophobicContact CD2-CE 3.88Å; W125-M131 HydrophobicContact CE3-CE 3.33Å; W125-M131 HydrophobicContact CE3-SD 4.04Å; W125-M131 HydrophobicContact CH2-CE 3.99Å; W125-M131 HydrophobicContact CH2-SD 3.62Å; W125-M131 HydrophobicContact CZ2-CE 4.48Å; W125-M131 HydrophobicContact CZ2-SD 4.41Å; W125-M131 HydrophobicContact CZ3-CE 3.38Å; W125-M131 HydrophobicContact CZ3-SD 3.4Å; W125-M131 WeakPolarHBondContact CZ3-SD 3.35Å; W125-W185 HydrophobicContact CH2-CH2 4.28Å; W125-W185 HydrophobicContact CH2-CZ3 4.17Å; W125-K188 HydrophobicContact CH2-CD 4.24Å; W125-K188 HydrophobicContact CH2-CG 3.76Å; W125-K188 HydrophobicContact CZ3-CD 4.22Å; W125-K188 HydrophobicContact CZ3-CG 3.81Å; W125-H192 AromaticContact CE3-CD2 3.99Å; W125-H192 AromaticContact CZ3-CD2 3.98Å; W125-I195 HydrophobicContact CH2-CD1 4.44Å; W125-I195 HydrophobicContact CZ3-CD1 4.03Å
126E97.8Very high98.5Very high141 Ų14134.1 Ų34.166%0.65916%0.157SC*.Hα-helixtrans-65-39.1-178.6-69.5167.7177.200112.4K122 S123 N128K122-E126 WeakPolarHBondContact O-CG 3.25Å; K122-E126 PolarHBondContact O-N 2.78Å; S123-E126 PolarHBondContact O-N 3.39Å; E126-N128 PolarHBondContact O-N 2.8Å
127Q98Very high98.5Very high83 Ų8333.9 Ų33.939%0.38816%0.156SC..THydrogen-bonded Turntrans-82.40176.2-61.6-61.8-25.900113.1S123 C129S123-Q127 VanDerWaalsContact O-CB 3.27Å; S123-Q127 WeakPolarHBondContact O-CB 3.29Å; S123-Q127 WeakPolarHBondContact O-CG 3.48Å; S123-Q127 PolarHBondContact O-N 2.87Å; Q127-C129 PolarHBondContact O-N 3.19Å
128N97.4Very high98.5Very high74 Ų7433 Ų3340%0.39615%0.151SC..THydrogen-bonded Turntrans51.340.4-177.7-165.634.8000112.3F124 W125 E126 H192 N194F124-N128 PolarHBondContact O-N 3.39Å; W125-N128 PolarHBondContact O-N 3.43Å; W125-N128 VanDerWaalsContact O-N 3.14Å; E126-N128 PolarHBondContact O-N 2.8Å; N128-H192 PolarHBondContact OD1-CE1 3.46Å; N128-H192 PolarHBondContact OD1-NE2 3.15Å; N128-N194 PolarHBondContact ND2-ND2 3.49Å; N128-N194 PolarHBondContact O-ND2 3.32Å; N128-N194 PolarHBondContact OD1-ND2 2.96Å
129C98.4Very high98.6Very high0 Ų028.6 Ų28.60%013%0.13CC..  trans-59152.8-178-630000110.9R41 F124 Q127 M131R41-C129 PolarHBondContact O-SG 3.23Å; F124-C129 HydrophobicContact CD1-CB 3.9Å; F124-C129 PolarHBondContact O-N 2.99Å; Q127-C129 PolarHBondContact O-N 3.19Å; C129-M131 PolarHBondContact O-N 2.94Å
130R98.5Very high98.6Very high61 Ų6128.2 Ų28.223%0.2313%0.128CC..EExtended strand (participates in β ladder)trans-71.9131.1171.9-76.5175.2-78.2-171.9-1.2109.5D44 I45 L46 F217 I218D44-R130 PolarHBondContact O-N 3.05Å; I45-R130 VanDerWaalsContact CA-O 3.31Å; I45-R130 WeakPolarHBondContact CA-O 3.28Å; I45-R130 HydrophobicContact CG1-CB 4.28Å; L46-R130 PolarHBondContact N-O 2.72Å; R130-F217 HydrophobicContact CB-CE1 4.05Å; R130-F217 HydrophobicContact CB-CZ 4.26Å; R130-F217 HydrophobicContact CG-CE1 4.27Å; R130-F217 HydrophobicContact CG-CZ 4.25Å; R130-I218 VanDerWaalsContact NH1-C 3.29Å; R130-I218 PolarHBondContact NH1-O 2.88Å
131M98.8Very high98.6Very high0 Ų028 Ų280%013%0.127CC..EExtended strand (participates in β ladder)trans-122.3134.6177-48.7-167.3-168.500110.2L46 F124 W125 C129 W185 N194 I195 H196L46-M131 HydrophobicContact CB-CG 4.18Å; L46-M131 HydrophobicContact CD2-SD 4.05Å; L46-M131 CarbonylContact O-C 3.33Å; L46-M131 VanDerWaalsContact O-CA 3.29Å; L46-M131 WeakPolarHBondContact O-CA 3.49Å; F124-M131 HydrophobicContact CB-CE 3.67Å; W125-M131 HydrophobicContact CD2-CE 3.88Å; W125-M131 HydrophobicContact CE3-CE 3.33Å; W125-M131 HydrophobicContact CE3-SD 4.04Å; W125-M131 HydrophobicContact CH2-CE 3.99Å; W125-M131 HydrophobicContact CH2-SD 3.62Å; W125-M131 HydrophobicContact CZ2-CE 4.48Å; W125-M131 HydrophobicContact CZ2-SD 4.41Å; W125-M131 HydrophobicContact CZ3-CE 3.38Å; W125-M131 HydrophobicContact CZ3-SD 3.4Å; W125-M131 WeakPolarHBondContact CZ3-SD 3.35Å; C129-M131 PolarHBondContact O-N 2.94Å; M131-W185 HydrophobicContact SD-CH2 4.15Å; M131-W185 HydrophobicContact SD-CZ3 4.04Å; M131-N194 PolarHBondContact N-O 3.48Å; M131-I195 HydrophobicContact CB-CG1 4.23Å; M131-I195 HydrophobicContact CB-CG2 4.4Å; M131-I195 CarbonylContact O-C 3.57Å; M131-I195 VanDerWaalsContact O-CA 3.31Å; M131-I195 WeakPolarHBondContact O-CA 3.4Å; M131-H196 PolarHBondContact O-N 2.99Å
132I98.9Very high98.6Very high0 Ų028 Ų280%013%0.127CC..EExtended strand (participates in β ladder)trans-117114.9176.3-64.6164.1000106.6I45 L46 I47 A48 V58 L62 V134 H196 M198 L214 F217 I218I45-I132 HydrophobicContact CG2-CD1 3.83Å; I45-I132 HydrophobicContact CG2-CG1 4.39Å; L46-I132 PolarHBondContact O-N 3.17Å; I47-I132 WeakPolarHBondContact CA-O 3.41Å; A48-I132 PolarHBondContact N-O 3.05Å; V58-I132 HydrophobicContact CG2-CG2 3.88Å; L62-I132 HydrophobicContact CD1-CD1 3.5Å; L62-I132 VanDerWaalsContact CD1-CD1 3.5Å; L62-I132 HydrophobicContact CD2-CD1 3.57Å; L62-I132 HydrophobicContact CG-CD1 4.11Å; I132-V134 HydrophobicContact CG2-CG2 4.39Å; I132-H196 WeakPolarHBondContact CA-O 3.41Å; I132-H196 HydrophobicContact CG1-CB 4.41Å; I132-M198 HydrophobicContact CG2-SD 3.92Å; I132-L214 HydrophobicContact CD1-CD2 3.72Å; I132-L214 HydrophobicContact CG1-CD2 4.14Å; I132-L214 HydrophobicContact CG2-CD2 4.03Å; I132-F217 HydrophobicContact CG1-CD1 4.19Å; I132-F217 HydrophobicContact CG1-CE1 3.9Å; I132-I218 HydrophobicContact CD1-CG2 4.23Å
133Y98.9Very high98.6Very high0 Ų020.9 Ų20.90%010%0.096CC..EExtended strand (participates in β ladder)trans-104.8124.5176.9-171.9-93.8000110.2A48 A135 H181 V182 W185 H196 Y197 M198A48-Y133 HydrophobicContact CB-CD2 3.89Å; A48-Y133 VanDerWaalsContact O-CA 3.25Å; A48-Y133 WeakPolarHBondContact O-CA 3.32Å; A48-Y133 VanDerWaalsContact O-CD2 3.31Å; A48-Y133 WeakPolarHBondContact O-CD2 3.4Å; Y133-A135 HydrophobicContact CD1-CB 4.29Å; Y133-A135 HydrophobicContact CE1-CB 3.77Å; Y133-H181 AromaticContact CE2-CE1 3.72Å; Y133-H181 AromaticContact CE2-ND1 3.75Å; Y133-H181 AromaticContact CZ-ND1 3.74Å; Y133-H181 PolarHBondContact OH-ND1 2.8Å; Y133-V182 WeakPolarHBondContact OH-CA 3.32Å; Y133-W185 HydrophobicContact CD1-CB 4.12Å; Y133-W185 HydrophobicContact CD2-CB 3.72Å; Y133-W185 AromaticContact CD2-CD1 3.82Å; Y133-W185 AromaticContact CD2-CD2 3.32Å; Y133-W185 HydrophobicContact CD2-CD2 3.32Å; Y133-W185 AromaticContact CD2-CE2 3.83Å; Y133-W185 AromaticContact CD2-CE3 3.68Å; Y133-W185 HydrophobicContact CD2-CE3 3.68Å; Y133-W185 AromaticContact CD2-CG 3.34Å; Y133-W185 HydrophobicContact CD2-CG 3.34Å; Y133-W185 HydrophobicContact CD2-CZ3 4.45Å; Y133-W185 HydrophobicContact CE1-CB 3.97Å; Y133-W185 HydrophobicContact CE1-CG 4.46Å; Y133-W185 HydrophobicContact CE2-CB 3.59Å; Y133-W185 AromaticContact CE2-CD1 3.23Å; Y133-W185 AromaticContact CE2-CD2 3.61Å; Y133-W185 HydrophobicContact CE2-CD2 3.61Å; Y133-W185 AromaticContact CE2-CE2 3.92Å; Y133-W185 HydrophobicContact CE2-CE3 4.42Å; Y133-W185 AromaticContact CE2-CG 3.17Å; Y133-W185 HydrophobicContact CE2-CG 3.17Å; Y133-W185 AromaticContact CE2-NE1 3.66Å; Y133-W185 HydrophobicContact CG-CB 3.97Å; Y133-W185 HydrophobicContact CG-CD2 4.14Å; Y133-W185 HydrophobicContact CG-CE3 4.18Å; Y133-W185 HydrophobicContact CG-CG 4.08Å; Y133-W185 AromaticContact CZ-CD1 3.86Å; Y133-W185 AromaticContact CZ-CG 3.79Å; Y133-H196 PolarHBondContact N-O 3.2Å; Y133-Y197 HydrophobicContact CD1-CD1 4.33Å; Y133-Y197 AromaticContact CD1-CD2 3.47Å; Y133-Y197 HydrophobicContact CD1-CD2 3.47Å; Y133-Y197 VanDerWaalsContact CD1-CD2 3.47Å; Y133-Y197 HydrophobicContact CD1-CE1 4.06Å; Y133-Y197 AromaticContact CD1-CE2 3.14Å; Y133-Y197 HydrophobicContact CD1-CE2 3.14Å; Y133-Y197 HydrophobicContact CD1-CG 4.07Å; Y133-Y197 AromaticContact CD1-CZ 3.48Å; Y133-Y197 VanDerWaalsContact CD1-CZ 3.48Å; Y133-Y197 HydrophobicContact CE1-CD2 4.24Å; Y133-Y197 HydrophobicContact CE1-CE1 4.28Å; Y133-Y197 AromaticContact CE1-CE2 3.45Å; Y133-Y197 HydrophobicContact CE1-CE2 3.45Å; Y133-Y197 VanDerWaalsContact CE1-CE2 3.45Å; Y133-Y197 AromaticContact CE1-CZ 3.48Å; Y133-Y197 VanDerWaalsContact CE1-CZ 3.48Å; Y133-Y197 WeakPolarHBondContact CE1-OH 3.45Å; Y133-Y197 HydrophobicContact CG-CD2 4.08Å; Y133-Y197 HydrophobicContact CG-CE2 4.06Å; Y133-Y197 CarbonylContact O-C 3.53Å; Y133-Y197 WeakPolarHBondContact O-CA 3.37Å; Y133-M198 PolarHBondContact O-N 3.21Å
134V98.9Very high98.6Very high0 Ų021.4 Ų21.40%010%0.1CC..EExtended strand (participates in β ladder)trans-111.6121.5172.8-168.30000109.8A48 T49 A53 V58 I132 M198 M203A48-V134 PolarHBondContact O-N 3.39Å; A48-V134 VanDerWaalsContact O-N 3.17Å; T49-V134 HydrophobicContact CG2-CB 3.71Å; T49-V134 HydrophobicContact CG2-CG2 4.26Å; T49-V134 WeakPolarHBondContact CG2-O 3.41Å; A53-V134 WeakPolarHBondContact CB-O 3.3Å; A53-V134 VanDerWaalsContact O-CG1 3.27Å; A53-V134 WeakPolarHBondContact O-CG1 3.42Å; V58-V134 HydrophobicContact CB-CG2 3.97Å; V58-V134 HydrophobicContact CG1-CG2 3.73Å; V58-V134 HydrophobicContact CG2-CG2 4.13Å; I132-V134 HydrophobicContact CG2-CG2 4.39Å; V134-M198 HydrophobicContact CG1-CB 4.48Å; V134-M198 HydrophobicContact CG2-CB 4.29Å; V134-M198 HydrophobicContact CG2-SD 4.37Å; V134-M203 HydrophobicContact CG1-SD 3.85Å
135A98.9Very high98.6Very high0 Ų021.4 Ų21.40%010%0.1CC..EExtended strand (participates in β ladder)trans-101.9154.1174.200000110.2Y133 V182 Y197 M198 F199 Y200 F296Y133-A135 HydrophobicContact CD1-CB 4.29Å; Y133-A135 HydrophobicContact CE1-CB 3.77Å; A135-V182 HydrophobicContact CB-CG1 4.4Å; A135-Y197 HydrophobicContact CB-CE1 3.52Å; A135-Y197 WeakPolarHBondContact CB-OH 3.48Å; A135-M198 PolarHBondContact N-O 2.83Å; A135-F199 HydrophobicContact CB-CD1 4.28Å; A135-F199 HydrophobicContact CB-CE1 4.44Å; A135-F199 CarbonylContact O-C 3.59Å; A135-F199 WeakPolarHBondContact O-CA 3.34Å; A135-Y200 WeakPolarHBondContact O-CB 3.43Å; A135-Y200 PolarHBondContact O-N 2.99Å; A135-F296 HydrophobicContact CB-CE1 3.46Å; A135-F296 VanDerWaalsContact CB-CE1 3.46Å; A135-F296 HydrophobicContact CB-CZ 3.77Å
136R98.9Very high98.7Very high12 Ų1221.1 Ų21.15%0.04510%0.099CC..  trans-140.4146174.6-176.8177.6-171-166.52.5108.3K52 A53 A138 W178 Y200 E201 K265K52-R136 WeakPolarHBondContact O-CD 3.32Å; K52-R136 PolarHBondContact O-NH1 2.95Å; A53-R136 HydrophobicContact CB-CB 3.74Å; R136-A138 PolarHBondContact O-N 3.22Å; R136-W178 WeakPolarHBondContact O-CZ2 3.42Å; R136-W178 PolarHBondContact O-NE1 2.93Å; R136-W178 VanDerWaalsContact O-NE1 3.16Å; R136-Y200 HydrophobicContact CB-CG 4.29Å; R136-Y200 HydrophobicContact CG-CD1 3.85Å; R136-Y200 HydrophobicContact CG-CG 3.92Å; R136-E201 WeakPolarHBondContact CG-OE1 3.34Å; R136-K265 PolarHBondContact NH2-O 3.02Å
137N98.9Very high98.7Very high1 Ų116.1 Ų16.11%0.0058%0.075CC..  trans-51139.2176.879.782.4000111.2K139 D140 N141 E201 F296 R297N137-K139 VanDerWaalsContact C-N 3.28Å; N137-K139 PolarHBondContact O-N 3.09Å; N137-K139 PolarHBondContact OD1-N 3.23Å; N137-D140 PolarHBondContact ND2-OD2 2.92Å; N137-D140 PolarHBondContact OD1-N 3.39Å; N137-N141 VanDerWaalsContact O-CB 3.25Å; N137-N141 WeakPolarHBondContact O-CB 3.07Å; N137-N141 PolarHBondContact O-N 3.18Å; N137-E201 WeakPolarHBondContact CB-OE1 3.34Å; N137-E201 PolarHBondContact N-OE1 2.66Å; N137-E201 PolarHBondContact ND2-OE1 2.97Å; N137-F296 HydrophobicContact CB-CB 4.11Å; N137-F296 HydrophobicContact CB-CD1 4.47Å; N137-R297 WeakPolarHBondContact CB-O 3.35Å; N137-R297 PolarHBondContact ND2-O 3.05Å
138A98.8Very high98.7Very high2 Ų213.2 Ų13.22%0.0176%0.061CC..Hα-helixtrans-61.9-34.2-170.600000113.3R136 N141 M142 F168 W178 F281 Y285R136-A138 PolarHBondContact O-N 3.22Å; A138-N141 PolarHBondContact O-N 2.96Å; A138-M142 VanDerWaalsContact O-CB 3.29Å; A138-M142 WeakPolarHBondContact O-CB 3.42Å; A138-M142 PolarHBondContact O-N 3.01Å; A138-F168 HydrophobicContact CB-CE1 4.33Å; A138-W178 HydrophobicContact CB-CD2 3.64Å; A138-W178 HydrophobicContact CB-CE3 3.63Å; A138-W178 HydrophobicContact CB-CG 4.4Å; A138-W178 HydrophobicContact CB-CH2 3.78Å; A138-W178 HydrophobicContact CB-CZ2 3.73Å; A138-W178 HydrophobicContact CB-CZ3 3.72Å; A138-F281 HydrophobicContact CB-CE1 4.11Å; A138-F281 HydrophobicContact CB-CE2 4.39Å; A138-F281 HydrophobicContact CB-CZ 3.44Å; A138-F281 VanDerWaalsContact CB-CZ 3.44Å; A138-Y285 HydrophobicContact CB-CE2 4.36Å
139K98.9Very high98.8Very high10 Ų109.8 Ų9.84%0.0434%0.043CC..Hα-helixtrans-68.3-50.1-175.7-59.6-176-179175.70111.5N137 N141 M142 V143 W269 F273 N278 F281 D282N137-K139 VanDerWaalsContact C-N 3.28Å; N137-K139 PolarHBondContact O-N 3.09Å; N137-K139 PolarHBondContact OD1-N 3.23Å; K139-N141 VanDerWaalsContact C-N 3.31Å; K139-N141 PolarHBondContact O-N 2.82Å; K139-M142 PolarHBondContact O-N 3.17Å; K139-V143 PolarHBondContact O-N 3.26Å; K139-V143 VanDerWaalsContact O-N 3.17Å; K139-W269 HydrophobicContact CB-CB 3.61Å; K139-W269 HydrophobicContact CB-CD2 3.75Å; K139-W269 HydrophobicContact CB-CE3 4.26Å; K139-W269 HydrophobicContact CB-CG 3.44Å; K139-W269 VanDerWaalsContact CB-CG 3.44Å; K139-W269 HydrophobicContact CD-CD2 3.62Å; K139-W269 HydrophobicContact CD-CE3 3.65Å; K139-W269 HydrophobicContact CD-CG 4.25Å; K139-W269 HydrophobicContact CD-CH2 3.96Å; K139-W269 HydrophobicContact CD-CZ2 3.93Å; K139-W269 HydrophobicContact CD-CZ3 3.83Å; K139-W269 HydrophobicContact CG-CD2 4.32Å; K139-W269 HydrophobicContact CG-CG 4.48Å; K139-F273 HydrophobicContact CB-CE1 4.38Å; K139-F273 HydrophobicContact CB-CE2 4.23Å; K139-F273 HydrophobicContact CB-CZ 3.93Å; K139-F273 HydrophobicContact CD-CE1 4.37Å; K139-F273 HydrophobicContact CG-CE1 4.04Å; K139-F273 HydrophobicContact CG-CZ 4.04Å; K139-N278 WeakPolarHBondContact CE-OD1 3.15Å; K139-N278 PolarHBondContact NZ-OD1 3.07Å; K139-F281 HydrophobicContact CD-CD1 4.3Å; K139-F281 VanDerWaalsContact CE-CD1 3.47Å; K139-F281 HydrophobicContact CG-CD1 3.91Å; K139-F281 HydrophobicContact CG-CE1 3.77Å; K139-F281 HydrophobicContact CG-CZ 4.45Å; K139-D282 WeakPolarHBondContact CE-OD1 3.49Å; K139-D282 VanDerWaalsContact NZ-CG 3.33Å; K139-D282 IonicContact NZ-OD1 2.69Å; K139-D282 PolarHBondContact NZ-OD1 3.15Å; K139-D282 IonicContact NZ-OD2 3.6Å; K139-D282 PolarHBondContact NZ-OD2 2.72Å
140D98.9Very high98.7Very high0 Ų011.3 Ų11.30%05%0.053CC..Hα-helixtrans-68-33.5174-79-44.3000112.2N137 S144 V266 G267 D268 W269N137-D140 PolarHBondContact ND2-OD2 2.92Å; N137-D140 PolarHBondContact OD1-N 3.39Å; D140-S144 VanDerWaalsContact O-CB 3.24Å; D140-S144 WeakPolarHBondContact O-CB 3.44Å; D140-S144 PolarHBondContact O-N 2.76Å; D140-V266 WeakPolarHBondContact OD2-CA 3.46Å; D140-G267 PolarHBondContact OD1-N 2.89Å; D140-G267 PolarHBondContact OD2-N 2.83Å; D140-D268 PolarHBondContact OD1-N 2.95Å; D140-W269 PolarHBondContact OD1-N 3.43Å
141N98.8Very high98.6Very high0 Ų08.5 Ų8.50%04%0.043CC..Hα-helixtrans-60.5-50.9175.4-167.5-69.8000110.4Y50 P51 N137 A138 K139 V143 S144 Y145Y50-N141 WeakPolarHBondContact CD1-OD1 3.42Å; Y50-N141 VanDerWaalsContact CE1-OD1 3.31Å; Y50-N141 WeakPolarHBondContact CE1-OD1 3.49Å; P51-N141 PolarHBondContact O-ND2 3Å; P51-N141 PolarHBondContact O-OD1 2.64Å; N137-N141 VanDerWaalsContact O-CB 3.25Å; N137-N141 WeakPolarHBondContact O-CB 3.07Å; N137-N141 PolarHBondContact O-N 3.18Å; A138-N141 PolarHBondContact O-N 2.96Å; K139-N141 VanDerWaalsContact C-N 3.31Å; K139-N141 PolarHBondContact O-N 2.82Å; N141-V143 PolarHBondContact O-N 3.31Å; N141-S144 CarbonylContact O-C 3.59Å; N141-S144 PolarHBondContact O-N 3.1Å; N141-S144 VanDerWaalsContact O-N 3.12Å; N141-Y145 WeakPolarHBondContact O-CB 3.13Å; N141-Y145 PolarHBondContact O-N 3.42Å
142M98.9Very high98.5Very high0 Ų08.8 Ų8.80%04%0.044CC..Hα-helixtrans-55.9-50.6177.7-175.2-164.2-67.300112A138 K139 S144 Y145 Y146 W161 F164 F165 F168 M169 F273 F281A138-M142 VanDerWaalsContact O-CB 3.29Å; A138-M142 WeakPolarHBondContact O-CB 3.42Å; A138-M142 PolarHBondContact O-N 3.01Å; K139-M142 PolarHBondContact O-N 3.17Å; M142-S144 VanDerWaalsContact C-N 3.31Å; M142-S144 PolarHBondContact O-N 3.13Å; M142-Y145 PolarHBondContact O-N 3.25Å; M142-Y145 VanDerWaalsContact O-N 3.12Å; M142-Y146 PolarHBondContact O-N 3.35Å; M142-W161 HydrophobicContact CG-CH2 4.01Å; M142-W161 HydrophobicContact CG-CZ3 4.39Å; M142-W161 HydrophobicContact SD-CH2 3.74Å; M142-W161 HydrophobicContact SD-CZ2 4.18Å; M142-F164 HydrophobicContact CG-CD1 4.21Å; M142-F164 HydrophobicContact CG-CE1 4.05Å; M142-F164 WeakPolarHBondContact O-CE1 3.44Å; M142-F165 HydrophobicContact CE-CD2 3.87Å; M142-F165 HydrophobicContact CE-CE2 4.11Å; M142-F165 HydrophobicContact SD-CB 4.26Å; M142-F165 HydrophobicContact SD-CD2 3.47Å; M142-F165 WeakPolarHBondContact SD-CD2 3.25Å; M142-F165 HydrophobicContact SD-CE2 4.19Å; M142-F165 HydrophobicContact SD-CG 4.21Å; M142-F168 HydrophobicContact CB-CD1 4.18Å; M142-F168 HydrophobicContact CB-CD2 3.83Å; M142-F168 HydrophobicContact CB-CE1 4.16Å; M142-F168 HydrophobicContact CB-CE2 3.79Å; M142-F168 HydrophobicContact CB-CG 4.01Å; M142-F168 HydrophobicContact CB-CZ 3.96Å; M142-F168 HydrophobicContact CE-CB 3.9Å; M142-F168 HydrophobicContact CE-CD1 3.23Å; M142-F168 HydrophobicContact CE-CE1 3.87Å; M142-F168 HydrophobicContact CE-CG 3.68Å; M142-F168 HydrophobicContact CG-CB 3.91Å; M142-F168 HydrophobicContact CG-CD1 4.09Å; M142-F168 HydrophobicContact CG-CD2 3.75Å; M142-F168 HydrophobicContact CG-CE2 4.25Å; M142-F168 HydrophobicContact CG-CG 3.64Å; M142-F168 HydrophobicContact SD-CB 4.35Å; M142-F168 HydrophobicContact SD-CD1 4.43Å; M142-F168 HydrophobicContact SD-CG 4.36Å; M142-M169 HydrophobicContact CE-CG 4.43Å; M142-F273 HydrophobicContact CE-CZ 3.96Å; M142-F273 HydrophobicContact SD-CE1 4.47Å; M142-F273 HydrophobicContact SD-CE2 4.01Å; M142-F273 HydrophobicContact SD-CZ 3.55Å; M142-F273 VanDerWaalsContact SD-CZ 3.55Å; M142-F281 HydrophobicContact CE-CD2 3.73Å; M142-F281 HydrophobicContact CE-CE2 3.61Å
143V98.9Very high98.1Very high0 Ų011.1 Ų11.10%06%0.057CC..Hα-helixtrans-60.3-42.9176.3171.90000111.5K139 N141 Y145 H147 W161 W269 Y272 F273K139-V143 PolarHBondContact O-N 3.26Å; K139-V143 VanDerWaalsContact O-N 3.17Å; N141-V143 PolarHBondContact O-N 3.31Å; V143-Y145 VanDerWaalsContact C-N 3.25Å; V143-Y145 PolarHBondContact O-N 3.48Å; V143-H147 PolarHBondContact O-CD2 3.11Å; V143-H147 VanDerWaalsContact O-CD2 3.29Å; V143-H147 PolarHBondContact O-N 3.09Å; V143-W161 HydrophobicContact CB-CH2 4.47Å; V143-W161 HydrophobicContact CG2-CH2 3.53Å; V143-W161 HydrophobicContact CG2-CZ2 4.28Å; V143-W161 HydrophobicContact CG2-CZ3 4.07Å; V143-W269 HydrophobicContact CG2-CB 4.15Å; V143-Y272 HydrophobicContact CB-CD2 4.38Å; V143-Y272 HydrophobicContact CG1-CD1 4.15Å; V143-Y272 HydrophobicContact CG1-CD2 3.49Å; V143-Y272 VanDerWaalsContact CG1-CD2 3.49Å; V143-Y272 HydrophobicContact CG1-CE1 4.14Å; V143-Y272 HydrophobicContact CG1-CE2 3.5Å; V143-Y272 VanDerWaalsContact CG1-CE2 3.5Å; V143-Y272 HydrophobicContact CG1-CG 3.83Å; V143-Y272 HydrophobicContact CG2-CD2 3.92Å; V143-Y272 HydrophobicContact CG2-CG 3.84Å; V143-F273 HydrophobicContact CG2-CD2 4.25Å; V143-F273 HydrophobicContact CG2-CE2 3.93Å
144S98.8Very high97.8Very high18 Ų1812 Ų1213%0.1266%0.062CC..Hα-helixtrans-67.2-28.7178.4-169.50000112.8D140 N141 M142 F148D140-S144 VanDerWaalsContact O-CB 3.24Å; D140-S144 WeakPolarHBondContact O-CB 3.44Å; D140-S144 PolarHBondContact O-N 2.76Å; N141-S144 CarbonylContact O-C 3.59Å; N141-S144 PolarHBondContact O-N 3.1Å; N141-S144 VanDerWaalsContact O-N 3.12Å; M142-S144 VanDerWaalsContact C-N 3.31Å; M142-S144 PolarHBondContact O-N 3.13Å; S144-F148 WeakPolarHBondContact O-CB 3.38Å; S144-F148 PolarHBondContact O-N 3.27Å
145Y98.8Very high97.5Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-76.8-45.1177.6-150.3152.2000110.4Y50 P51 K52 N141 M142 V143 H147 F148 D149 F164 M173 V174Y50-Y145 AromaticContact CE1-CD1 3.82Å; Y50-Y145 HydrophobicContact CE1-CD1 3.82Å; Y50-Y145 AromaticContact CE1-CE1 3.85Å; Y50-Y145 HydrophobicContact CE1-CE1 3.85Å; Y50-Y145 AromaticContact CZ-CE1 3.92Å; P51-Y145 HydrophobicContact CB-CD1 4.11Å; P51-Y145 HydrophobicContact CB-CE1 3.52Å; P51-Y145 HydrophobicContact CB-CE2 4.48Å; P51-Y145 HydrophobicContact CG-CE1 3.78Å; K52-Y145 HydrophobicContact CG-CD1 4.34Å; K52-Y145 HydrophobicContact CG-CD2 4.37Å; K52-Y145 HydrophobicContact CG-CG 3.97Å; N141-Y145 WeakPolarHBondContact O-CB 3.13Å; N141-Y145 PolarHBondContact O-N 3.42Å; M142-Y145 PolarHBondContact O-N 3.25Å; M142-Y145 VanDerWaalsContact O-N 3.12Å; V143-Y145 VanDerWaalsContact C-N 3.25Å; V143-Y145 PolarHBondContact O-N 3.48Å; Y145-H147 VanDerWaalsContact C-N 3.33Å; Y145-H147 PolarHBondContact O-N 3.14Å; Y145-F148 HydrophobicContact CD2-CD1 4.29Å; Y145-F148 HydrophobicContact CE2-CD1 4.22Å; Y145-F148 CarbonylContact O-C 3.57Å; Y145-F148 WeakPolarHBondContact O-CA 3.35Å; Y145-F148 WeakPolarHBondContact O-CB 3.37Å; Y145-F148 PolarHBondContact O-N 3.49Å; Y145-D149 WeakPolarHBondContact CD2-OD1 3.41Å; Y145-D149 WeakPolarHBondContact CE2-OD1 3.07Å; Y145-D149 PolarHBondContact O-N 3.36Å; Y145-F164 HydrophobicContact CD2-CZ 4.25Å; Y145-F164 HydrophobicContact CG-CZ 4.14Å; Y145-M173 HydrophobicContact CD1-CE 4.1Å; Y145-M173 HydrophobicContact CD2-CE 4.15Å; Y145-M173 HydrophobicContact CE1-CE 4.1Å; Y145-M173 HydrophobicContact CE2-CE 4.18Å; Y145-M173 HydrophobicContact CG-CE 4.13Å; Y145-V174 WeakPolarHBondContact OH-CB 3.42Å; Y145-V174 PolarHBondContact OH-O 2.88Å
146Y98.8Very high97.4Very high42 Ų4212.6 Ų12.617%0.1657%0.066CC..Hα-helixtrans-49.8-53.3174.8175-110.2000112.1M142 F148 D149 C150 A158 W161 F164M142-Y146 PolarHBondContact O-N 3.35Å; Y146-F148 VanDerWaalsContact C-N 3.27Å; Y146-F148 PolarHBondContact O-N 3.33Å; Y146-D149 PolarHBondContact O-N 2.99Å; Y146-C150 PolarHBondContact O-N 3.3Å; Y146-C150 PolarHBondContact O-SG 3.29Å; Y146-A158 HydrophobicContact CD2-CB 3.99Å; Y146-A158 HydrophobicContact CE2-CB 3.98Å; Y146-W161 AromaticContact CD1-CE3 3.85Å; Y146-W161 HydrophobicContact CD1-CE3 3.85Å; Y146-W161 HydrophobicContact CD1-CZ3 4.3Å; Y146-W161 HydrophobicContact CD2-CE3 4.08Å; Y146-W161 HydrophobicContact CE1-CE3 4.33Å; Y146-W161 AromaticContact CG-CE3 3.7Å; Y146-W161 HydrophobicContact CG-CE3 3.7Å; Y146-W161 HydrophobicContact CG-CZ3 4.01Å; Y146-F164 VanDerWaalsContact CA-CZ 3.43Å; Y146-F164 HydrophobicContact CD2-CB 3.69Å; Y146-F164 HydrophobicContact CD2-CD1 4.05Å; Y146-F164 AromaticContact CD2-CD2 3.78Å; Y146-F164 HydrophobicContact CD2-CD2 3.78Å; Y146-F164 HydrophobicContact CD2-CE2 4.42Å; Y146-F164 AromaticContact CD2-CG 3.56Å; Y146-F164 HydrophobicContact CD2-CG 3.56Å; Y146-F164 HydrophobicContact CE2-CB 4.18Å; Y146-F164 HydrophobicContact CE2-CG 4.48Å; Y146-F164 HydrophobicContact CG-CD1 4.36Å; Y146-F164 HydrophobicContact CG-CG 4.31Å
147H98.8Very high97.2Very high35 Ų3514.8 Ų14.816%0.1629%0.086CC..Hα-helixtrans-65.2-29.9177.7-76.6-64.9000114.1V143 Y145 M151 Y272V143-H147 PolarHBondContact O-CD2 3.11Å; V143-H147 VanDerWaalsContact O-CD2 3.29Å; V143-H147 PolarHBondContact O-N 3.09Å; Y145-H147 VanDerWaalsContact C-N 3.33Å; Y145-H147 PolarHBondContact O-N 3.14Å; H147-M151 WeakPolarHBondContact O-CG 3.49Å; H147-M151 PolarHBondContact O-N 3.37Å; H147-Y272 AromaticContact CE1-CE1 3.91Å; H147-Y272 AromaticContact NE2-CE1 3.1Å; H147-Y272 WeakPolarHBondContact NE2-CE1 3.43Å; H147-Y272 AromaticContact NE2-CZ 3.22Å; H147-Y272 PolarHBondContact NE2-OH 3.29Å
148F98.6Very high97.1Very high23 Ų2315 Ų1510%0.1019%0.088CC..Hα-helixtrans-69.9-41.1175.9-178.4-119000111.5K52 S144 Y145 Y146 M151 N152 Q155 M253 F260K52-F148 HydrophobicContact CD-CB 3.79Å; K52-F148 HydrophobicContact CD-CD1 3.71Å; K52-F148 HydrophobicContact CD-CD2 4.34Å; K52-F148 HydrophobicContact CD-CE1 4.28Å; K52-F148 HydrophobicContact CD-CG 3.7Å; S144-F148 WeakPolarHBondContact O-CB 3.38Å; S144-F148 PolarHBondContact O-N 3.27Å; Y145-F148 HydrophobicContact CD2-CD1 4.29Å; Y145-F148 HydrophobicContact CE2-CD1 4.22Å; Y145-F148 CarbonylContact O-C 3.57Å; Y145-F148 WeakPolarHBondContact O-CA 3.35Å; Y145-F148 WeakPolarHBondContact O-CB 3.37Å; Y145-F148 PolarHBondContact O-N 3.49Å; Y146-F148 VanDerWaalsContact C-N 3.27Å; Y146-F148 PolarHBondContact O-N 3.33Å; F148-M151 HydrophobicContact CD2-SD 3.94Å; F148-M151 HydrophobicContact CE2-SD 4.33Å; F148-M151 WeakPolarHBondContact O-CG 3.15Å; F148-M151 PolarHBondContact O-N 3.12Å; F148-N152 HydrophobicContact CD2-CB 4.2Å; F148-N152 HydrophobicContact CE2-CB 4.04Å; F148-N152 HydrophobicContact CZ-CB 4.28Å; F148-N152 WeakPolarHBondContact CZ-ND2 3.19Å; F148-N152 WeakPolarHBondContact O-CB 3.43Å; F148-N152 PolarHBondContact O-N 2.77Å; F148-Q155 HydrophobicContact CD1-CG 4.29Å; F148-Q155 HydrophobicContact CE1-CG 4.13Å; F148-M253 HydrophobicContact CE2-CE 3.73Å; F148-M253 HydrophobicContact CE2-SD 4.48Å; F148-M253 HydrophobicContact CZ-CE 4.17Å; F148-F260 HydrophobicContact CD2-CD2 4.29Å; F148-F260 HydrophobicContact CD2-CE2 4.42Å; F148-F260 AromaticContact CE2-CD2 3.98Å; F148-F260 HydrophobicContact CE2-CD2 3.98Å; F148-F260 AromaticContact CE2-CE2 3.89Å; F148-F260 HydrophobicContact CE2-CE2 3.89Å
149D98.1Very high97Very high1 Ų117.2 Ų17.21%0.00511%0.111CC..Hα-helixtrans-67.3-38.9176-76.610.1000110.8R13 Y145 Y146 M151 Q155 A158 F164R13-D149 PolarHBondContact NH1-O 2.75Å; R13-D149 PolarHBondContact NH2-O 3.19Å; R13-D149 VanDerWaalsContact NH2-O 3.15Å; Y145-D149 WeakPolarHBondContact CD2-OD1 3.41Å; Y145-D149 WeakPolarHBondContact CE2-OD1 3.07Å; Y145-D149 PolarHBondContact O-N 3.36Å; Y146-D149 PolarHBondContact O-N 2.99Å; D149-M151 VanDerWaalsContact C-N 3.34Å; D149-M151 PolarHBondContact O-N 3.06Å; D149-Q155 HydrophobicContact CB-CB 4.3Å; D149-Q155 WeakPolarHBondContact OD1-CB 3.5Å; D149-Q155 WeakPolarHBondContact OD1-CG 3.4Å; D149-A158 HydrophobicContact CB-CB 3.77Å; D149-F164 HydrophobicContact CB-CE2 4.22Å; D149-F164 WeakPolarHBondContact OD2-CE2 3.37Å
150C97.5Very high97Very high33 Ų3320.6 Ų20.622%0.22313%0.13CC..Hα-helixtrans-56.5-45.8173.7-63.70000112.3R13 Y146 V257R13-C150 PolarHBondContact NH2-O 2.93Å; Y146-C150 PolarHBondContact O-N 3.3Å; Y146-C150 PolarHBondContact O-SG 3.29Å; C150-V257 HydrophobicContact CB-CG1 3.73Å
151M96.8Very high96.9Very high2 Ų222.1 Ų22.11%0.0114%0.135CC..Hα-helixtrans-88.2-25.2-174.667.487.470.500114.6H147 F148 D149 M253 D254 F255 V257 S258 F260H147-M151 WeakPolarHBondContact O-CG 3.49Å; H147-M151 PolarHBondContact O-N 3.37Å; F148-M151 HydrophobicContact CD2-SD 3.94Å; F148-M151 HydrophobicContact CE2-SD 4.33Å; F148-M151 WeakPolarHBondContact O-CG 3.15Å; F148-M151 PolarHBondContact O-N 3.12Å; D149-M151 VanDerWaalsContact C-N 3.34Å; D149-M151 PolarHBondContact O-N 3.06Å; M151-M253 HydrophobicContact CE-CB 3.59Å; M151-M253 HydrophobicContact CE-CG 3.96Å; M151-M253 HydrophobicContact CE-SD 3.97Å; M151-M253 CarbonylContact O-C 3.57Å; M151-M253 WeakPolarHBondContact O-CA 3.47Å; M151-M253 HydrophobicContact SD-CB 3.93Å; M151-M253 HydrophobicContact SD-CG 3.76Å; M151-M253 HydrophobicContact SD-SD 3.98Å; M151-D254 WeakPolarHBondContact CB-O 3.37Å; M151-D254 PolarHBondContact O-N 3.29Å; M151-F255 HydrophobicContact CE-CD2 4.34Å; M151-F255 HydrophobicContact CE-CE2 4.16Å; M151-F255 HydrophobicContact CE-CZ 4.23Å; M151-V257 HydrophobicContact CB-CB 4.27Å; M151-V257 HydrophobicContact CB-CG1 4.39Å; M151-S258 WeakPolarHBondContact CB-O 3.4Å; M151-S258 WeakPolarHBondContact CE-O 3.33Å; M151-F260 HydrophobicContact CE-CB 4.21Å
152N94.9Very high96.9Very high6 Ų626.5 Ų26.53%0.03216%0.159CC..BIsolated β-bridgetrans-97.8108.1-173.8-171.40.5000111R13 F148 V154 Q155 M253R13-N152 PolarHBondContact NH1-O 3.42Å; F148-N152 HydrophobicContact CD2-CB 4.2Å; F148-N152 HydrophobicContact CE2-CB 4.04Å; F148-N152 HydrophobicContact CZ-CB 4.28Å; F148-N152 WeakPolarHBondContact CZ-ND2 3.19Å; F148-N152 WeakPolarHBondContact O-CB 3.43Å; F148-N152 PolarHBondContact O-N 2.77Å; N152-V154 WeakPolarHBondContact ND2-CG2 3.34Å; N152-V154 PolarHBondContact O-N 3.14Å; N152-V154 VanDerWaalsContact O-N 3.15Å; N152-V154 VanDerWaalsContact OD1-CG2 3.23Å; N152-V154 WeakPolarHBondContact OD1-CG2 3.44Å; N152-V154 PolarHBondContact OD1-N 2.91Å; N152-Q155 HydrophobicContact CB-CG 3.98Å; N152-Q155 WeakPolarHBondContact O-CB 3.43Å; N152-Q155 PolarHBondContact O-N 3.15Å; N152-Q155 VanDerWaalsContact O-N 3.09Å; N152-M253 HydrophobicContact CB-CG 4.41Å
153N91.8Very high96.9Very high48 Ų4829.2 Ų29.226%0.25718%0.178SC..THydrogen-bonded Turntrans-71.4-9.5-175-66.4-39.3000113.9V10 R13 Q155 V252V10-N153 HydrophobicContact CB-CB 4.18Å; V10-N153 HydrophobicContact CG1-CB 4.43Å; R13-N153 PolarHBondContact NH2-OD1 2.91Å; N153-Q155 VanDerWaalsContact C-N 3.3Å; N153-V252 PolarHBondContact N-O 3.07Å
154V91.6Very high96.9Very high18 Ų1829.2 Ų29.211%0.10918%0.178CC..THydrogen-bonded Turntrans-83-9.1173.8-390000112.7M8 P14 I25 I27 N152 V252M8-V154 HydrophobicContact CE-CB 4.03Å; M8-V154 HydrophobicContact CE-CG1 3.38Å; M8-V154 HydrophobicContact SD-CG1 4.11Å; P14-V154 VanDerWaalsContact CG-O 3.28Å; P14-V154 WeakPolarHBondContact CG-O 3.29Å; I25-V154 WeakPolarHBondContact CD1-O 3.46Å; I27-V154 HydrophobicContact CD1-CB 4.15Å; I27-V154 HydrophobicContact CD1-CG2 3.92Å; N152-V154 WeakPolarHBondContact ND2-CG2 3.34Å; N152-V154 PolarHBondContact O-N 3.14Å; N152-V154 VanDerWaalsContact O-N 3.15Å; N152-V154 VanDerWaalsContact OD1-CG2 3.23Å; N152-V154 WeakPolarHBondContact OD1-CG2 3.44Å; N152-V154 PolarHBondContact OD1-N 2.91Å; V154-V252 HydrophobicContact CG1-CB 3.78Å; V154-V252 HydrophobicContact CG1-CG1 4.23Å; V154-V252 HydrophobicContact CG1-CG2 3.83Å
155Q94.3Very high96.9Very high7 Ų728.4 Ų28.43%0.03317%0.172CC..SBendtrans-92.1156.5178-65.7-66.3-7.300111.3R13 F148 D149 N152 N153R13-Q155 WeakPolarHBondContact CG-O 3.26Å; R13-Q155 PolarHBondContact NH1-O 3.38Å; F148-Q155 HydrophobicContact CD1-CG 4.29Å; F148-Q155 HydrophobicContact CE1-CG 4.13Å; D149-Q155 HydrophobicContact CB-CB 4.3Å; D149-Q155 WeakPolarHBondContact OD1-CB 3.5Å; D149-Q155 WeakPolarHBondContact OD1-CG 3.4Å; N152-Q155 HydrophobicContact CB-CG 3.98Å; N152-Q155 WeakPolarHBondContact O-CB 3.43Å; N152-Q155 PolarHBondContact O-N 3.15Å; N152-Q155 VanDerWaalsContact O-N 3.09Å; N153-Q155 VanDerWaalsContact C-N 3.3Å
156P95.6Very high96.9Very high7 Ų731.7 Ų31.75%0.04519%0.187CC..PPolyproline II helixtrans-50157.9164.7-24.334.8000111.9R13 P14 L16 I25 A158 V174R13-P156 PolarHBondContact NH1-O 3Å; P14-P156 WeakPolarHBondContact O-CA 3.45Å; P14-P156 WeakPolarHBondContact O-CB 3.13Å; L16-P156 HydrophobicContact CD2-CG 4.02Å; L16-P156 HydrophobicContact CG-CG 3.99Å; I25-P156 HydrophobicContact CG2-CG 3.84Å; P156-A158 PolarHBondContact O-N 2.78Å; P156-V174 HydrophobicContact CG-CG2 3.98Å
157A95.6Very high96.8Very high58 Ų5831.9 Ų31.948%0.47919%0.188SC..PPolyproline II helixtrans-61.6132.317300000109.7G159 R167A157-G159 VanDerWaalsContact C-N 3.25Å; A157-G159 PolarHBondContact O-N 3.39Å; A157-R167 PolarHBondContact O-NH1 3.45Å
158A96.6Very high96.8Very high6 Ų630.2 Ų30.25%0.0518%0.18CC..  trans-63.7-35.2176.900000111.6Y146 D149 P156 F164Y146-A158 HydrophobicContact CD2-CB 3.99Å; Y146-A158 HydrophobicContact CE2-CB 3.98Å; D149-A158 HydrophobicContact CB-CB 3.77Å; P156-A158 PolarHBondContact O-N 2.78Å; A158-F164 HydrophobicContact CB-CD2 4.14Å
159G96.3Very high96.8Very high48 Ų4829.7 Ų29.750%0.49518%0.178SC..  trans72.1-162.8-166.200000111A157A157-G159 VanDerWaalsContact C-N 3.25Å; A157-G159 PolarHBondContact O-N 3.39Å
160D98.1Very high96.8Very high81 Ų8136.4 Ų36.443%0.43321%0.21SC..SBendtrans-76.3165.7167.669.192.2000111.3N162 S163 F164D160-N162 VanDerWaalsContact C-N 3.32Å; D160-N162 PolarHBondContact O-N 3.09Å; D160-N162 WeakPolarHBondContact OD1-CA 3.42Å; D160-N162 WeakPolarHBondContact OD1-CB 3.11Å; D160-N162 PolarHBondContact OD1-N 3.46Å; D160-S163 PolarHBondContact O-N 2.91Å; D160-S163 PolarHBondContact OD1-N 2.88Å; D160-S163 VanDerWaalsContact OD1-N 3.09Å; D160-S163 WeakPolarHBondContact OD2-CB 3.36Å; D160-S163 PolarHBondContact OD2-OG 3.39Å; D160-F164 PolarHBondContact O-N 2.89Å
161W98.5Very high96.9Very high31 Ų3135.4 Ų35.412%0.11720%0.204CC..Hα-helixtrans-57.9-39.1-177.8172.4-109.4000113.8M142 V143 Y146 F164 F165 Y272 F273M142-W161 HydrophobicContact CG-CH2 4.01Å; M142-W161 HydrophobicContact CG-CZ3 4.39Å; M142-W161 HydrophobicContact SD-CH2 3.74Å; M142-W161 HydrophobicContact SD-CZ2 4.18Å; V143-W161 HydrophobicContact CB-CH2 4.47Å; V143-W161 HydrophobicContact CG2-CH2 3.53Å; V143-W161 HydrophobicContact CG2-CZ2 4.28Å; V143-W161 HydrophobicContact CG2-CZ3 4.07Å; Y146-W161 AromaticContact CD1-CE3 3.85Å; Y146-W161 HydrophobicContact CD1-CE3 3.85Å; Y146-W161 HydrophobicContact CD1-CZ3 4.3Å; Y146-W161 HydrophobicContact CD2-CE3 4.08Å; Y146-W161 HydrophobicContact CE1-CE3 4.33Å; Y146-W161 AromaticContact CG-CE3 3.7Å; Y146-W161 HydrophobicContact CG-CE3 3.7Å; Y146-W161 HydrophobicContact CG-CZ3 4.01Å; W161-F164 HydrophobicContact CZ3-CD1 4.47Å; W161-F164 PolarHBondContact O-N 3.37Å; W161-F165 HydrophobicContact CZ2-CD2 4.32Å; W161-F165 VanDerWaalsContact O-CB 3.26Å; W161-F165 WeakPolarHBondContact O-CB 3.34Å; W161-F165 PolarHBondContact O-N 3.21Å; W161-Y272 PolarHBondContact NE1-O 3.37Å; W161-F273 HydrophobicContact CH2-CD2 4.19Å; W161-F273 AromaticContact CH2-CE2 3.73Å; W161-F273 HydrophobicContact CH2-CE2 3.73Å; W161-F273 AromaticContact CZ2-CD2 3.65Å; W161-F273 HydrophobicContact CZ2-CD2 3.65Å; W161-F273 AromaticContact CZ2-CE2 3.58Å; W161-F273 HydrophobicContact CZ2-CE2 3.58Å; W161-F273 HydrophobicContact CZ2-CG 4.47Å; W161-F273 HydrophobicContact CZ2-CZ 4.37Å
162N98.4Very high96.9Very high93 Ų9338.4 Ų38.450%0.49722%0.221SC..Hα-helixtrans-71.2-42.2-176.2-64.1-22000110.8D160 F164 F165 Q166 Q277D160-N162 VanDerWaalsContact C-N 3.32Å; D160-N162 PolarHBondContact O-N 3.09Å; D160-N162 WeakPolarHBondContact OD1-CA 3.42Å; D160-N162 WeakPolarHBondContact OD1-CB 3.11Å; D160-N162 PolarHBondContact OD1-N 3.46Å; N162-F164 VanDerWaalsContact C-N 3.33Å; N162-F164 PolarHBondContact O-N 2.78Å; N162-F165 PolarHBondContact O-N 3.08Å; N162-Q166 PolarHBondContact O-N 2.93Å; N162-Q166 VanDerWaalsContact O-N 3.14Å; N162-Q277 PolarHBondContact OD1-NE2 3.06Å
163S98Very high97.1Very high57 Ų5738.1 Ų38.140%0.39922%0.219SC..Hα-helixtrans-61.4-42173.4-60.70000111.6D160 R167D160-S163 PolarHBondContact O-N 2.91Å; D160-S163 PolarHBondContact OD1-N 2.88Å; D160-S163 VanDerWaalsContact OD1-N 3.09Å; D160-S163 WeakPolarHBondContact OD2-CB 3.36Å; D160-S163 PolarHBondContact OD2-OG 3.39Å; S163-R167 WeakPolarHBondContact O-CG 3.31Å; S163-R167 PolarHBondContact O-N 2.68Å; S163-R167 VanDerWaalsContact O-N 3.14Å
164F98.7Very high97.4Very high0 Ų035.9 Ų35.90%021%0.207CC..Hα-helixtrans-64.9-43.5176.8-169.3-85.1000112.5M142 Y145 Y146 D149 A158 D160 W161 N162 Q166 R167 F168 M173M142-F164 HydrophobicContact CG-CD1 4.21Å; M142-F164 HydrophobicContact CG-CE1 4.05Å; M142-F164 WeakPolarHBondContact O-CE1 3.44Å; Y145-F164 HydrophobicContact CD2-CZ 4.25Å; Y145-F164 HydrophobicContact CG-CZ 4.14Å; Y146-F164 VanDerWaalsContact CA-CZ 3.43Å; Y146-F164 HydrophobicContact CD2-CB 3.69Å; Y146-F164 HydrophobicContact CD2-CD1 4.05Å; Y146-F164 AromaticContact CD2-CD2 3.78Å; Y146-F164 HydrophobicContact CD2-CD2 3.78Å; Y146-F164 HydrophobicContact CD2-CE2 4.42Å; Y146-F164 AromaticContact CD2-CG 3.56Å; Y146-F164 HydrophobicContact CD2-CG 3.56Å; Y146-F164 HydrophobicContact CE2-CB 4.18Å; Y146-F164 HydrophobicContact CE2-CG 4.48Å; Y146-F164 HydrophobicContact CG-CD1 4.36Å; Y146-F164 HydrophobicContact CG-CG 4.31Å; D149-F164 HydrophobicContact CB-CE2 4.22Å; D149-F164 WeakPolarHBondContact OD2-CE2 3.37Å; A158-F164 HydrophobicContact CB-CD2 4.14Å; D160-F164 PolarHBondContact O-N 2.89Å; W161-F164 HydrophobicContact CZ3-CD1 4.47Å; W161-F164 PolarHBondContact O-N 3.37Å; N162-F164 VanDerWaalsContact C-N 3.33Å; N162-F164 PolarHBondContact O-N 2.78Å; F164-Q166 PolarHBondContact O-N 3.24Å; F164-R167 PolarHBondContact O-N 3.16Å; F164-F168 WeakPolarHBondContact O-CB 3.3Å; F164-F168 PolarHBondContact O-N 3.27Å; F164-M173 HydrophobicContact CE1-CE 4.13Å; F164-M173 HydrophobicContact CE2-CE 3.6Å; F164-M173 HydrophobicContact CE2-SD 4.43Å; F164-M173 HydrophobicContact CZ-CE 3.31Å; F164-M173 HydrophobicContact CZ-SD 4.25Å
165F98.8Very high97.7Very high0 Ų035.2 Ų35.20%020%0.203CC..Hα-helixtrans-56.5-48.2178172.3-88.4000111.5M142 W161 N162 F168 M169 F273 Q277 F281M142-F165 HydrophobicContact CE-CD2 3.87Å; M142-F165 HydrophobicContact CE-CE2 4.11Å; M142-F165 HydrophobicContact SD-CB 4.26Å; M142-F165 HydrophobicContact SD-CD2 3.47Å; M142-F165 WeakPolarHBondContact SD-CD2 3.25Å; M142-F165 HydrophobicContact SD-CE2 4.19Å; M142-F165 HydrophobicContact SD-CG 4.21Å; W161-F165 HydrophobicContact CZ2-CD2 4.32Å; W161-F165 VanDerWaalsContact O-CB 3.26Å; W161-F165 WeakPolarHBondContact O-CB 3.34Å; W161-F165 PolarHBondContact O-N 3.21Å; N162-F165 PolarHBondContact O-N 3.08Å; F165-F168 PolarHBondContact O-N 3.17Å; F165-M169 HydrophobicContact CD1-CE 3.86Å; F165-M169 HydrophobicContact CD1-SD 4.43Å; F165-M169 HydrophobicContact CE1-CE 3.26Å; F165-M169 HydrophobicContact CE1-CG 4.4Å; F165-M169 HydrophobicContact CE1-SD 3.6Å; F165-M169 HydrophobicContact CE2-SD 4.46Å; F165-M169 HydrophobicContact CZ-CE 3.93Å; F165-M169 HydrophobicContact CZ-CG 4.42Å; F165-M169 HydrophobicContact CZ-SD 3.6Å; F165-M169 VanDerWaalsContact CZ-SD 3.6Å; F165-M169 PolarHBondContact O-N 3.47Å; F165-M169 VanDerWaalsContact O-N 3.11Å; F165-F273 HydrophobicContact CD2-CE1 4.15Å; F165-F273 HydrophobicContact CD2-CZ 4.26Å; F165-F273 HydrophobicContact CE2-CD1 4.01Å; F165-F273 AromaticContact CE2-CE1 3.55Å; F165-F273 HydrophobicContact CE2-CE1 3.55Å; F165-F273 HydrophobicContact CE2-CZ 4.09Å; F165-Q277 HydrophobicContact CD1-CG 4.23Å; F165-Q277 HydrophobicContact CD2-CB 4.32Å; F165-Q277 HydrophobicContact CD2-CG 4.3Å; F165-Q277 HydrophobicContact CE1-CB 4.29Å; F165-Q277 HydrophobicContact CE1-CG 4.02Å; F165-Q277 HydrophobicContact CE2-CB 3.77Å; F165-Q277 HydrophobicContact CE2-CG 4.12Å; F165-Q277 HydrophobicContact CG-CG 4.37Å; F165-Q277 HydrophobicContact CZ-CB 3.76Å; F165-Q277 HydrophobicContact CZ-CG 3.99Å; F165-Q277 VanDerWaalsContact CZ-O 3.28Å; F165-Q277 WeakPolarHBondContact CZ-O 3.37Å; F165-F281 HydrophobicContact CE2-CB 4.17Å; F165-F281 HydrophobicContact CE2-CD2 4.31Å; F165-F281 HydrophobicContact CZ-CB 4.02Å
166Q98.6Very high97.9Very high69 Ų6935.1 Ų35.132%0.32220%0.204SC..Hα-helixtrans-64.2-47.6178.4-68.9-62.3-2800111.9N162 F164 F168 M169 E170 E280N162-Q166 PolarHBondContact O-N 2.93Å; N162-Q166 VanDerWaalsContact O-N 3.14Å; F164-Q166 PolarHBondContact O-N 3.24Å; Q166-F168 VanDerWaalsContact C-N 3.27Å; Q166-F168 PolarHBondContact O-N 2.93Å; Q166-M169 PolarHBondContact O-N 2.67Å; Q166-M169 VanDerWaalsContact O-N 3.08Å; Q166-M169 VanDerWaalsContact OE1-CE 3.24Å; Q166-E170 WeakPolarHBondContact O-CG 3.49Å; Q166-E170 PolarHBondContact O-N 2.83Å; Q166-E280 PolarHBondContact NE2-OE1 3.33Å; Q166-E280 PolarHBondContact NE2-OE2 3.2Å
167R98.4Very high98.1Very high47 Ų4735.8 Ų35.818%0.17721%0.208CC..Hα-helixtrans-56.1-40.9175.6-75.3173.558.4-152.6-13.5112.7A157 S163 F164 E170 G171 D172 M173A157-R167 PolarHBondContact O-NH1 3.45Å; S163-R167 WeakPolarHBondContact O-CG 3.31Å; S163-R167 PolarHBondContact O-N 2.68Å; S163-R167 VanDerWaalsContact O-N 3.14Å; F164-R167 PolarHBondContact O-N 3.16Å; R167-E170 PolarHBondContact O-N 2.85Å; R167-G171 PolarHBondContact O-N 3.28Å; R167-D172 HydrophobicContact CB-CB 4.31Å; R167-D172 HydrophobicContact CG-CB 4.43Å; R167-D172 PolarHBondContact NE-O 3.3Å; R167-D172 IonicContact NE-OD2 3.38Å; R167-D172 PolarHBondContact NE-OD2 2.9Å; R167-D172 PolarHBondContact NH2-O 2.81Å; R167-D172 PolarHBondContact O-N 2.97Å; R167-M173 HydrophobicContact CB-SD 4.26Å
168F98.8Very high98.2Very high0 Ų033 Ų330%019%0.185CC..Hα-helixtrans-63.8-44.3176.5-174.5-76.5000112Y50 A138 M142 F164 F165 Q166 E170 G171 M173 W178 F281Y50-F168 HydrophobicContact CE1-CE2 4.03Å; Y50-F168 HydrophobicContact CE1-CZ 4.47Å; A138-F168 HydrophobicContact CB-CE1 4.33Å; M142-F168 HydrophobicContact CB-CD1 4.18Å; M142-F168 HydrophobicContact CB-CD2 3.83Å; M142-F168 HydrophobicContact CB-CE1 4.16Å; M142-F168 HydrophobicContact CB-CE2 3.79Å; M142-F168 HydrophobicContact CB-CG 4.01Å; M142-F168 HydrophobicContact CB-CZ 3.96Å; M142-F168 HydrophobicContact CE-CB 3.9Å; M142-F168 HydrophobicContact CE-CD1 3.23Å; M142-F168 HydrophobicContact CE-CE1 3.87Å; M142-F168 HydrophobicContact CE-CG 3.68Å; M142-F168 HydrophobicContact CG-CB 3.91Å; M142-F168 HydrophobicContact CG-CD1 4.09Å; M142-F168 HydrophobicContact CG-CD2 3.75Å; M142-F168 HydrophobicContact CG-CE2 4.25Å; M142-F168 HydrophobicContact CG-CG 3.64Å; M142-F168 HydrophobicContact SD-CB 4.35Å; M142-F168 HydrophobicContact SD-CD1 4.43Å; M142-F168 HydrophobicContact SD-CG 4.36Å; F164-F168 WeakPolarHBondContact O-CB 3.3Å; F164-F168 PolarHBondContact O-N 3.27Å; F165-F168 PolarHBondContact O-N 3.17Å; Q166-F168 VanDerWaalsContact C-N 3.27Å; Q166-F168 PolarHBondContact O-N 2.93Å; F168-E170 VanDerWaalsContact C-N 3.31Å; F168-E170 PolarHBondContact O-N 3.28Å; F168-G171 PolarHBondContact O-N 3.4Å; F168-M173 HydrophobicContact CB-CG 4.29Å; F168-M173 HydrophobicContact CB-SD 4.2Å; F168-M173 HydrophobicContact CD2-CG 4.17Å; F168-M173 HydrophobicContact CG-CG 4.49Å; F168-W178 HydrophobicContact CE1-CB 3.93Å; F168-W178 HydrophobicContact CE1-CG 4.32Å; F168-W178 HydrophobicContact CE2-CB 4.33Å; F168-W178 HydrophobicContact CZ-CB 3.56Å; F168-W178 AromaticContact CZ-CG 3.82Å; F168-W178 HydrophobicContact CZ-CG 3.82Å; F168-F281 HydrophobicContact CE1-CE2 4.43Å
169M98.5Very high98.3Very high11 Ų1132.9 Ų32.95%0.05418%0.184CC..Hα-helixtrans-64.4-37.1177.7-70-163-54.100112.3M142 F165 Q166 G171 E280 F281 D284 K288M142-M169 HydrophobicContact CE-CG 4.43Å; F165-M169 HydrophobicContact CD1-CE 3.86Å; F165-M169 HydrophobicContact CD1-SD 4.43Å; F165-M169 HydrophobicContact CE1-CE 3.26Å; F165-M169 HydrophobicContact CE1-CG 4.4Å; F165-M169 HydrophobicContact CE1-SD 3.6Å; F165-M169 HydrophobicContact CE2-SD 4.46Å; F165-M169 HydrophobicContact CZ-CE 3.93Å; F165-M169 HydrophobicContact CZ-CG 4.42Å; F165-M169 HydrophobicContact CZ-SD 3.6Å; F165-M169 VanDerWaalsContact CZ-SD 3.6Å; F165-M169 PolarHBondContact O-N 3.47Å; F165-M169 VanDerWaalsContact O-N 3.11Å; Q166-M169 PolarHBondContact O-N 2.67Å; Q166-M169 VanDerWaalsContact O-N 3.08Å; Q166-M169 VanDerWaalsContact OE1-CE 3.24Å; M169-G171 VanDerWaalsContact C-N 3.27Å; M169-G171 PolarHBondContact O-N 3Å; M169-E280 HydrophobicContact CE-CG 4.12Å; M169-E280 WeakPolarHBondContact CE-OE1 3.23Å; M169-E280 HydrophobicContact SD-CG 4.4Å; M169-F281 HydrophobicContact CG-CD2 3.96Å; M169-F281 HydrophobicContact CG-CE2 4.34Å; M169-F281 HydrophobicContact SD-CB 4.47Å; M169-F281 HydrophobicContact SD-CD2 4.04Å; M169-D284 HydrophobicContact SD-CB 4.49Å; M169-K288 PolarHBondContact O-NZ 3.44Å
170E97.9Very high98.4Very high143 Ų14335.1 Ų35.167%0.66818%0.184SC*.Hα-helixtrans-74.2-17.4176.7-68.4175168.600113.1Q166 R167 F168Q166-E170 WeakPolarHBondContact O-CG 3.49Å; Q166-E170 PolarHBondContact O-N 2.83Å; R167-E170 PolarHBondContact O-N 2.85Å; F168-E170 VanDerWaalsContact C-N 3.31Å; F168-E170 PolarHBondContact O-N 3.28Å
171G97.9Very high98.5Very high11 Ų1131.3 Ų31.311%0.11316%0.164CC..THydrogen-bonded Turntrans81.214.8-175.900000114R167 F168 M169 M173 G176R167-G171 PolarHBondContact O-N 3.28Å; F168-G171 PolarHBondContact O-N 3.4Å; M169-G171 VanDerWaalsContact C-N 3.27Å; M169-G171 PolarHBondContact O-N 3Å; G171-M173 PolarHBondContact O-N 3.07Å; G171-G176 CarbonylContact O-C 3.51Å; G171-G176 WeakPolarHBondContact O-CA 3.42Å
172D97.6Very high98.5Very high66 Ų6629.9 Ų29.935%0.35316%0.158SC..  trans-78.957.4172.8-173.544.2000111.3L16 R167L16-D172 WeakPolarHBondContact CD1-O 3.1Å; L16-D172 WeakPolarHBondContact CD1-OD1 3.42Å; R167-D172 HydrophobicContact CB-CB 4.31Å; R167-D172 HydrophobicContact CG-CB 4.43Å; R167-D172 PolarHBondContact NE-O 3.3Å; R167-D172 IonicContact NE-OD2 3.38Å; R167-D172 PolarHBondContact NE-OD2 2.9Å; R167-D172 PolarHBondContact NH2-O 2.81Å; R167-D172 PolarHBondContact O-N 2.97Å
173M98.3Very high98.5Very high0 Ų026.4 Ų26.40%014%0.141CC..SBendtrans-124.1154.3-178.7-61.2-54.8-55.600109.1A23 Y50 Y145 F164 R167 F168 G171 F175 G176A23-M173 VanDerWaalsContact CB-O 3.31Å; A23-M173 WeakPolarHBondContact CB-O 3.36Å; A23-M173 VanDerWaalsContact O-O 3.05Å; Y50-M173 WeakPolarHBondContact OH-CB 3.4Å; Y145-M173 HydrophobicContact CD1-CE 4.1Å; Y145-M173 HydrophobicContact CD2-CE 4.15Å; Y145-M173 HydrophobicContact CE1-CE 4.1Å; Y145-M173 HydrophobicContact CE2-CE 4.18Å; Y145-M173 HydrophobicContact CG-CE 4.13Å; F164-M173 HydrophobicContact CE1-CE 4.13Å; F164-M173 HydrophobicContact CE2-CE 3.6Å; F164-M173 HydrophobicContact CE2-SD 4.43Å; F164-M173 HydrophobicContact CZ-CE 3.31Å; F164-M173 HydrophobicContact CZ-SD 4.25Å; R167-M173 HydrophobicContact CB-SD 4.26Å; F168-M173 HydrophobicContact CB-CG 4.29Å; F168-M173 HydrophobicContact CB-SD 4.2Å; F168-M173 HydrophobicContact CD2-CG 4.17Å; F168-M173 HydrophobicContact CG-CG 4.49Å; G171-M173 PolarHBondContact O-N 3.07Å; M173-F175 PolarHBondContact O-N 2.92Å; M173-G176 WeakPolarHBondContact O-CA 3.29Å; M173-G176 PolarHBondContact O-N 2.87Å
174V98.3Very high98.5Very high1 Ų126.2 Ų26.21%0.00614%0.135CC..THydrogen-bonded Turntrans-60.9131.7170.4-171.30000108.8L16 A23 I25 F28 Y145 P156 G176L16-V174 HydrophobicContact CD2-CB 4.37Å; L16-V174 HydrophobicContact CD2-CG2 3.6Å; A23-V174 WeakPolarHBondContact O-CA 3.48Å; I25-V174 HydrophobicContact CD1-CG1 4.41Å; I25-V174 HydrophobicContact CD1-CG2 4.25Å; I25-V174 HydrophobicContact CG1-CG1 3.95Å; I25-V174 HydrophobicContact CG1-CG2 4.25Å; I25-V174 HydrophobicContact CG2-CG2 3.96Å; F28-V174 HydrophobicContact CD2-CG1 3.64Å; F28-V174 HydrophobicContact CE2-CG1 3.73Å; Y145-V174 WeakPolarHBondContact OH-CB 3.42Å; Y145-V174 PolarHBondContact OH-O 2.88Å; P156-V174 HydrophobicContact CG-CG2 3.98Å; V174-G176 VanDerWaalsContact C-N 3.26Å
175F98.6Very high98.5Very high4 Ų426.2 Ų26.22%0.01814%0.135CC..THydrogen-bonded Turntrans73.99.9-169.7-51.3-78.5000114.9V22 A23 M24 F28 P51 F86 E88 H114 F115 M173V22-F175 VanDerWaalsContact CG1-C 3.48Å; A23-F175 PolarHBondContact O-N 2.77Å; M24-F175 HydrophobicContact CE-CD1 4.04Å; M24-F175 HydrophobicContact CE-CE1 3.91Å; M24-F175 HydrophobicContact SD-CD1 3.83Å; M24-F175 HydrophobicContact SD-CE1 4.25Å; M24-F175 HydrophobicContact SD-CG 4.36Å; F28-F175 HydrophobicContact CB-CE1 4.48Å; F28-F175 HydrophobicContact CB-CZ 4.39Å; F28-F175 HydrophobicContact CD1-CZ 4.09Å; F28-F175 HydrophobicContact CD2-CE1 4.29Å; F28-F175 AromaticContact CD2-CE2 3.91Å; F28-F175 HydrophobicContact CD2-CE2 3.91Å; F28-F175 AromaticContact CD2-CZ 3.53Å; F28-F175 HydrophobicContact CD2-CZ 3.53Å; F28-F175 HydrophobicContact CE1-CZ 4.27Å; F28-F175 AromaticContact CE2-CE2 3.74Å; F28-F175 HydrophobicContact CE2-CE2 3.74Å; F28-F175 AromaticContact CE2-CZ 3.73Å; F28-F175 HydrophobicContact CE2-CZ 3.73Å; F28-F175 HydrophobicContact CG-CE1 4.3Å; F28-F175 AromaticContact CG-CZ 3.74Å; F28-F175 HydrophobicContact CG-CZ 3.74Å; F28-F175 HydrophobicContact CZ-CE2 4.24Å; F28-F175 HydrophobicContact CZ-CZ 4.1Å; P51-F175 HydrophobicContact CG-CD2 3.53Å; P51-F175 HydrophobicContact CG-CE2 4.15Å; P51-F175 HydrophobicContact CG-CG 4.4Å; F86-F175 HydrophobicContact CZ-CE2 4.45Å; F86-F175 AromaticContact CZ-CZ 3.98Å; F86-F175 HydrophobicContact CZ-CZ 3.98Å; E88-F175 HydrophobicContact CG-CE1 4.22Å; E88-F175 HydrophobicContact CG-CZ 4.31Å; E88-F175 WeakPolarHBondContact OE1-CE1 3.2Å; H114-F175 HydrophobicContact CB-CD1 3.91Å; H114-F175 HydrophobicContact CB-CD2 3.73Å; H114-F175 HydrophobicContact CB-CE1 3.72Å; H114-F175 HydrophobicContact CB-CE2 3.54Å; H114-F175 HydrophobicContact CB-CG 3.91Å; H114-F175 HydrophobicContact CB-CZ 3.54Å; H114-F175 WeakPolarHBondContact O-CD1 3.27Å; H114-F175 WeakPolarHBondContact O-CG 3.35Å; F115-F175 HydrophobicContact CD1-CD1 4.3Å; F115-F175 AromaticContact CD1-CE1 3.94Å; F115-F175 HydrophobicContact CD1-CE1 3.94Å; F115-F175 HydrophobicContact CE1-CE1 4.36Å; M173-F175 PolarHBondContact O-N 2.92Å
176G98.6Very high98.5Very high5 Ų528.4 Ų28.45%0.05214%0.144CC..SBendtrans76.5-153.3169.500000115.2Y50 G171 M173 V174 W178Y50-G176 WeakPolarHBondContact CE2-O 3.48Å; Y50-G176 PolarHBondContact OH-O 3.26Å; G171-G176 CarbonylContact O-C 3.51Å; G171-G176 WeakPolarHBondContact O-CA 3.42Å; M173-G176 WeakPolarHBondContact O-CA 3.29Å; M173-G176 PolarHBondContact O-N 2.87Å; V174-G176 VanDerWaalsContact C-N 3.26Å; G176-W178 PolarHBondContact O-N 3.32Å
177S98.8Very high98.5Very high20 Ų2030.2 Ų30.214%0.1415%0.15CC..  trans-63123.1-178.6165.80000112.6Y179 D180 H181S177-Y179 PolarHBondContact O-N 3.18Å; S177-Y179 PolarHBondContact OG-N 2.66Å; S177-D180 WeakPolarHBondContact CB-OD2 3.41Å; S177-D180 PolarHBondContact O-N 3.09Å; S177-D180 PolarHBondContact OG-N 3.41Å; S177-D180 VanDerWaalsContact OG-N 3.14Å; S177-D180 PolarHBondContact OG-OD2 3.33Å; S177-H181 WeakPolarHBondContact O-CB 3.36Å; S177-H181 PolarHBondContact O-N 3.22Å
178W98.9Very high98.4Very high0 Ų030.7 Ų30.70%015%0.154CC..Hα-helixtrans-54.3-42.6169.6173.494.1000111Y50 R136 A138 F168 G176 D180 H181 V182 Y285 M289 F296Y50-W178 HydrophobicContact CD1-CB 4.33Å; Y50-W178 AromaticContact CD1-CD1 3.51Å; Y50-W178 HydrophobicContact CD1-CG 4.31Å; Y50-W178 HydrophobicContact CE1-CB 3.98Å; Y50-W178 AromaticContact CE1-CD1 3.87Å; Y50-W178 HydrophobicContact CE1-CG 4.36Å; Y50-W178 HydrophobicContact CE2-CB 4.27Å; Y50-W178 AromaticContact CG-CD1 3.95Å; R136-W178 WeakPolarHBondContact O-CZ2 3.42Å; R136-W178 PolarHBondContact O-NE1 2.93Å; R136-W178 VanDerWaalsContact O-NE1 3.16Å; A138-W178 HydrophobicContact CB-CD2 3.64Å; A138-W178 HydrophobicContact CB-CE3 3.63Å; A138-W178 HydrophobicContact CB-CG 4.4Å; A138-W178 HydrophobicContact CB-CH2 3.78Å; A138-W178 HydrophobicContact CB-CZ2 3.73Å; A138-W178 HydrophobicContact CB-CZ3 3.72Å; F168-W178 HydrophobicContact CE1-CB 3.93Å; F168-W178 HydrophobicContact CE1-CG 4.32Å; F168-W178 HydrophobicContact CE2-CB 4.33Å; F168-W178 HydrophobicContact CZ-CB 3.56Å; F168-W178 AromaticContact CZ-CG 3.82Å; F168-W178 HydrophobicContact CZ-CG 3.82Å; G176-W178 PolarHBondContact O-N 3.32Å; W178-D180 PolarHBondContact O-N 2.62Å; W178-H181 PolarHBondContact O-N 2.98Å; W178-V182 HydrophobicContact CD2-CG1 4.21Å; W178-V182 HydrophobicContact CD2-CG2 4.25Å; W178-V182 HydrophobicContact CE3-CG2 4.14Å; W178-V182 HydrophobicContact CH2-CG2 3.79Å; W178-V182 HydrophobicContact CZ2-CB 4.48Å; W178-V182 HydrophobicContact CZ2-CG1 3.9Å; W178-V182 HydrophobicContact CZ2-CG2 3.94Å; W178-V182 HydrophobicContact CZ3-CG2 3.91Å; W178-V182 WeakPolarHBondContact O-CG2 3.45Å; W178-V182 PolarHBondContact O-N 3.11Å; W178-Y285 AromaticContact CH2-CE2 3.64Å; W178-Y285 HydrophobicContact CH2-CE2 3.64Å; W178-Y285 HydrophobicContact CZ3-CD2 4.18Å; W178-Y285 AromaticContact CZ3-CE2 3.57Å; W178-Y285 HydrophobicContact CZ3-CE2 3.57Å; W178-M289 HydrophobicContact CH2-CE 4.13Å; W178-M289 HydrophobicContact CH2-SD 4.48Å; W178-M289 HydrophobicContact CZ3-CE 4.1Å; W178-M289 HydrophobicContact CZ3-CG 4.2Å; W178-M289 HydrophobicContact CZ3-SD 3.86Å; W178-F296 AromaticContact CH2-CD2 3.98Å; W178-F296 HydrophobicContact CH2-CD2 3.98Å; W178-F296 HydrophobicContact CH2-CE1 4.44Å; W178-F296 AromaticContact CH2-CE2 3.72Å; W178-F296 HydrophobicContact CH2-CE2 3.72Å; W178-F296 HydrophobicContact CH2-CG 4.42Å; W178-F296 AromaticContact CH2-CZ 3.99Å; W178-F296 HydrophobicContact CH2-CZ 3.99Å; W178-F296 HydrophobicContact CZ2-CD1 4.26Å; W178-F296 HydrophobicContact CZ2-CD2 4.36Å; W178-F296 AromaticContact CZ2-CE1 3.9Å; W178-F296 HydrophobicContact CZ2-CE1 3.9Å; W178-F296 AromaticContact CZ2-CE2 3.99Å; W178-F296 HydrophobicContact CZ2-CE2 3.99Å; W178-F296 HydrophobicContact CZ2-CG 4.46Å; W178-F296 AromaticContact CZ2-CZ 3.75Å; W178-F296 HydrophobicContact CZ2-CZ 3.75Å
179Y98.7Very high98.4Very high4 Ų432.3 Ų32.32%0.01616%0.164CC..Hα-helixtrans-59.6-49.6-177.9-56.2-78.7000111.5S177 H181 T183 F281 D284 Y285 K288 M289S177-Y179 PolarHBondContact O-N 3.18Å; S177-Y179 PolarHBondContact OG-N 2.66Å; Y179-H181 VanDerWaalsContact C-N 3.34Å; Y179-T183 WeakPolarHBondContact O-CB 3.5Å; Y179-T183 PolarHBondContact O-N 3.32Å; Y179-T183 VanDerWaalsContact O-N 3.08Å; Y179-T183 PolarHBondContact O-OG1 3.33Å; Y179-F281 HydrophobicContact CE1-CZ 4.48Å; Y179-F281 WeakPolarHBondContact OH-CE2 3.24Å; Y179-D284 PolarHBondContact OH-OD2 2.59Å; Y179-Y285 AromaticContact CE1-CD2 3.78Å; Y179-Y285 HydrophobicContact CE1-CD2 3.78Å; Y179-Y285 HydrophobicContact CE1-CG 4.38Å; Y179-K288 HydrophobicContact CD1-CB 3.83Å; Y179-K288 HydrophobicContact CD1-CD 4.1Å; Y179-K288 HydrophobicContact CD2-CD 3.45Å; Y179-K288 VanDerWaalsContact CD2-CD 3.45Å; Y179-K288 HydrophobicContact CE1-CB 4.22Å; Y179-K288 HydrophobicContact CE1-CD 4.17Å; Y179-K288 HydrophobicContact CE2-CD 3.5Å; Y179-K288 VanDerWaalsContact CE2-CD 3.5Å; Y179-K288 HydrophobicContact CG-CB 4.03Å; Y179-K288 HydrophobicContact CG-CD 3.75Å; Y179-M289 HydrophobicContact CD1-CG 3.83Å; Y179-M289 HydrophobicContact CD1-SD 3.81Å; Y179-M289 HydrophobicContact CE1-CG 4.32Å
180D98.6Very high98.2Very high94 Ų9437.9 Ų37.950%0.50319%0.19SC..Hα-helixtrans-68.6-38.8-179.2-63.7-44.2000110.4S177 W178 N184S177-D180 WeakPolarHBondContact CB-OD2 3.41Å; S177-D180 PolarHBondContact O-N 3.09Å; S177-D180 PolarHBondContact OG-N 3.41Å; S177-D180 VanDerWaalsContact OG-N 3.14Å; S177-D180 PolarHBondContact OG-OD2 3.33Å; W178-D180 PolarHBondContact O-N 2.62Å; D180-N184 WeakPolarHBondContact O-CB 3.33Å; D180-N184 PolarHBondContact O-N 3.22Å; D180-N184 PolarHBondContact O-ND2 3.11Å
181H98.8Very high98Very high2 Ų236.2 Ų36.21%0.00919%0.189CC..Hα-helixtrans-60.6-56.5179.1-160.4-71.7000111.7Y50 H114 F115 Y133 S177 W178 Y179 T183 W185Y50-H181 HydrophobicContact CD2-CB 3.77Å; Y50-H181 AromaticContact CD2-CD2 3.88Å; Y50-H181 AromaticContact CD2-CG 3.73Å; Y50-H181 PolarHBondContact N-CE1 2.63Å; H114-H181 PolarHBondContact O-NE2 3Å; H114-H181 VanDerWaalsContact O-NE2 3.09Å; F115-H181 PolarHBondContact O-NE2 3.32Å; Y133-H181 AromaticContact CE2-CE1 3.72Å; Y133-H181 AromaticContact CE2-ND1 3.75Å; Y133-H181 AromaticContact CZ-ND1 3.74Å; Y133-H181 PolarHBondContact OH-ND1 2.8Å; S177-H181 WeakPolarHBondContact O-CB 3.36Å; S177-H181 PolarHBondContact O-N 3.22Å; W178-H181 PolarHBondContact O-N 2.98Å; Y179-H181 VanDerWaalsContact C-N 3.34Å; H181-T183 VanDerWaalsContact C-N 3.32Å; H181-T183 PolarHBondContact O-N 3.04Å; H181-W185 AromaticContact CE1-CD1 3.46Å; H181-W185 VanDerWaalsContact CE1-CD1 3.46Å; H181-W185 AromaticContact CE1-NE1 3.35Å; H181-W185 PolarHBondContact CE1-NE1 2.93Å; H181-W185 AromaticContact ND1-CD1 3.45Å; H181-W185 AromaticContact ND1-NE1 3.85Å; H181-W185 AromaticContact NE2-NE1 3.9Å; H181-W185 WeakPolarHBondContact O-CB 3.36Å; H181-W185 VanDerWaalsContact O-CD1 3.27Å; H181-W185 PolarHBondContact O-N 3.28Å; H181-W185 VanDerWaalsContact O-N 3.13Å
182V98.8Very high97.8Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-66-36.5-178.1-60.80000112.2Y133 A135 W178 W186 Y197 M289 L294 F296Y133-V182 WeakPolarHBondContact OH-CA 3.32Å; A135-V182 HydrophobicContact CB-CG1 4.4Å; W178-V182 HydrophobicContact CD2-CG1 4.21Å; W178-V182 HydrophobicContact CD2-CG2 4.25Å; W178-V182 HydrophobicContact CE3-CG2 4.14Å; W178-V182 HydrophobicContact CH2-CG2 3.79Å; W178-V182 HydrophobicContact CZ2-CB 4.48Å; W178-V182 HydrophobicContact CZ2-CG1 3.9Å; W178-V182 HydrophobicContact CZ2-CG2 3.94Å; W178-V182 HydrophobicContact CZ3-CG2 3.91Å; W178-V182 WeakPolarHBondContact O-CG2 3.45Å; W178-V182 PolarHBondContact O-N 3.11Å; V182-W186 VanDerWaalsContact O-CB 3.27Å; V182-W186 WeakPolarHBondContact O-CB 3.33Å; V182-W186 PolarHBondContact O-N 3.35Å; V182-Y197 PolarHBondContact O-OH 3.41Å; V182-M289 HydrophobicContact CG2-CE 3.78Å; V182-M289 HydrophobicContact CG2-SD 4.34Å; V182-L294 HydrophobicContact CG2-CD2 4.37Å; V182-F296 HydrophobicContact CB-CZ 4.01Å; V182-F296 HydrophobicContact CG1-CZ 4.16Å; V182-F296 HydrophobicContact CG2-CE2 4.22Å; V182-F296 HydrophobicContact CG2-CZ 4.08Å
183T98.5Very high97.6Very high21 Ų2138.4 Ų38.413%0.12921%0.205CC..Hα-helixtrans-72.5-42.2-178.7-60.40000111.7Y179 H181 W186 K187Y179-T183 WeakPolarHBondContact O-CB 3.5Å; Y179-T183 PolarHBondContact O-N 3.32Å; Y179-T183 VanDerWaalsContact O-N 3.08Å; Y179-T183 PolarHBondContact O-OG1 3.33Å; H181-T183 VanDerWaalsContact C-N 3.32Å; H181-T183 PolarHBondContact O-N 3.04Å; T183-W186 WeakPolarHBondContact O-CB 3.18Å; T183-W186 PolarHBondContact O-N 3.04Å; T183-K187 HydrophobicContact CG2-CD 4.15Å; T183-K187 WeakPolarHBondContact O-CG 3.1Å; T183-K187 PolarHBondContact O-N 3.21Å
184N98.4Very high97.5Very high52 Ų5240.4 Ų40.428%0.27822%0.216SC..Hα-helixtrans-71.8-37.8-179.1-68.8-23.2000111.4V117 D180 W186 K187 K188V117-N184 HydrophobicContact CG2-CB 4.2Å; D180-N184 WeakPolarHBondContact O-CB 3.33Å; D180-N184 PolarHBondContact O-N 3.22Å; D180-N184 PolarHBondContact O-ND2 3.11Å; N184-W186 VanDerWaalsContact C-N 3.32Å; N184-K187 PolarHBondContact O-N 3.36Å; N184-K188 WeakPolarHBondContact O-CB 3.17Å; N184-K188 PolarHBondContact O-N 3.01Å
185W98.8Very high97.5Very high1 Ų141 Ų410%0.00422%0.219CC..Hα-helixtrans-63.2-39.3170.6-85.499.5000111.9L46 A48 F115 V117 V120 W125 M131 Y133 H181 K188 T189 I195 Y197L46-W185 HydrophobicContact CD2-CH2 4.29Å; A48-W185 HydrophobicContact CB-CD2 4.46Å; A48-W185 HydrophobicContact CB-CE3 4.46Å; A48-W185 HydrophobicContact CB-CH2 3.36Å; A48-W185 HydrophobicContact CB-CZ2 3.31Å; A48-W185 HydrophobicContact CB-CZ3 3.96Å; F115-W185 PolarHBondContact O-NE1 3.23Å; F115-W185 VanDerWaalsContact O-NE1 3.14Å; V117-W185 HydrophobicContact CG2-CB 4.1Å; V117-W185 HydrophobicContact CG2-CD2 3.57Å; V117-W185 HydrophobicContact CG2-CE3 4.22Å; V117-W185 HydrophobicContact CG2-CG 3.48Å; V117-W185 VanDerWaalsContact CG2-CG 3.48Å; V117-W185 HydrophobicContact CG2-CZ2 4.48Å; V120-W185 HydrophobicContact CG2-CH2 3.8Å; V120-W185 HydrophobicContact CG2-CZ2 3.52Å; W125-W185 HydrophobicContact CH2-CH2 4.28Å; W125-W185 HydrophobicContact CH2-CZ3 4.17Å; M131-W185 HydrophobicContact SD-CH2 4.15Å; M131-W185 HydrophobicContact SD-CZ3 4.04Å; Y133-W185 HydrophobicContact CD1-CB 4.12Å; Y133-W185 HydrophobicContact CD2-CB 3.72Å; Y133-W185 AromaticContact CD2-CD1 3.82Å; Y133-W185 AromaticContact CD2-CD2 3.32Å; Y133-W185 HydrophobicContact CD2-CD2 3.32Å; Y133-W185 AromaticContact CD2-CE2 3.83Å; Y133-W185 AromaticContact CD2-CE3 3.68Å; Y133-W185 HydrophobicContact CD2-CE3 3.68Å; Y133-W185 AromaticContact CD2-CG 3.34Å; Y133-W185 HydrophobicContact CD2-CG 3.34Å; Y133-W185 HydrophobicContact CD2-CZ3 4.45Å; Y133-W185 HydrophobicContact CE1-CB 3.97Å; Y133-W185 HydrophobicContact CE1-CG 4.46Å; Y133-W185 HydrophobicContact CE2-CB 3.59Å; Y133-W185 AromaticContact CE2-CD1 3.23Å; Y133-W185 AromaticContact CE2-CD2 3.61Å; Y133-W185 HydrophobicContact CE2-CD2 3.61Å; Y133-W185 AromaticContact CE2-CE2 3.92Å; Y133-W185 HydrophobicContact CE2-CE3 4.42Å; Y133-W185 AromaticContact CE2-CG 3.17Å; Y133-W185 HydrophobicContact CE2-CG 3.17Å; Y133-W185 AromaticContact CE2-NE1 3.66Å; Y133-W185 HydrophobicContact CG-CB 3.97Å; Y133-W185 HydrophobicContact CG-CD2 4.14Å; Y133-W185 HydrophobicContact CG-CE3 4.18Å; Y133-W185 HydrophobicContact CG-CG 4.08Å; Y133-W185 AromaticContact CZ-CD1 3.86Å; Y133-W185 AromaticContact CZ-CG 3.79Å; H181-W185 AromaticContact CE1-CD1 3.46Å; H181-W185 VanDerWaalsContact CE1-CD1 3.46Å; H181-W185 AromaticContact CE1-NE1 3.35Å; H181-W185 PolarHBondContact CE1-NE1 2.93Å; H181-W185 AromaticContact ND1-CD1 3.45Å; H181-W185 AromaticContact ND1-NE1 3.85Å; H181-W185 AromaticContact NE2-NE1 3.9Å; H181-W185 WeakPolarHBondContact O-CB 3.36Å; H181-W185 VanDerWaalsContact O-CD1 3.27Å; H181-W185 PolarHBondContact O-N 3.28Å; H181-W185 VanDerWaalsContact O-N 3.13Å; W185-K188 WeakPolarHBondContact O-CB 3.49Å; W185-K188 PolarHBondContact O-N 3.41Å; W185-T189 WeakPolarHBondContact O-CG2 3.43Å; W185-T189 PolarHBondContact O-N 3.32Å; W185-I195 HydrophobicContact CE3-CD1 4.5Å; W185-I195 HydrophobicContact CZ3-CD1 4.41Å; W185-Y197 HydrophobicContact CB-CE2 4.11Å
186W98.4Very high97.5Very high46 Ų4642.4 Ų42.417%0.17423%0.225CC..Hα-helixtrans-63.9-48.1174.8177.4-107.5000112.3V182 T183 N184 K188 T189 Y197 D291 A293 L294V182-W186 VanDerWaalsContact O-CB 3.27Å; V182-W186 WeakPolarHBondContact O-CB 3.33Å; V182-W186 PolarHBondContact O-N 3.35Å; T183-W186 WeakPolarHBondContact O-CB 3.18Å; T183-W186 PolarHBondContact O-N 3.04Å; N184-W186 VanDerWaalsContact C-N 3.32Å; W186-K188 PolarHBondContact O-N 3.13Å; W186-T189 PolarHBondContact O-N 3.29Å; W186-T189 VanDerWaalsContact O-N 3.12Å; W186-T189 PolarHBondContact O-OG1 3.02Å; W186-Y197 HydrophobicContact CB-CD2 4.47Å; W186-Y197 HydrophobicContact CB-CE2 3.8Å; W186-Y197 AromaticContact CE3-CD1 3.84Å; W186-Y197 HydrophobicContact CE3-CD1 3.84Å; W186-Y197 AromaticContact CE3-CD2 3.87Å; W186-Y197 HydrophobicContact CE3-CD2 3.87Å; W186-Y197 HydrophobicContact CE3-CE1 4.03Å; W186-Y197 HydrophobicContact CE3-CE2 4.04Å; W186-Y197 AromaticContact CE3-CG 3.76Å; W186-Y197 HydrophobicContact CE3-CG 3.76Å; W186-Y197 HydrophobicContact CZ3-CD1 4.05Å; W186-Y197 HydrophobicContact CZ3-CG 4.1Å; W186-D291 PolarHBondContact NE1-OD2 3.21Å; W186-A293 HydrophobicContact CZ2-CB 4.01Å; W186-L294 HydrophobicContact CB-CD1 4.27Å; W186-L294 HydrophobicContact CB-CD2 3.78Å; W186-L294 HydrophobicContact CD2-CB 4.24Å; W186-L294 HydrophobicContact CD2-CD1 3.95Å; W186-L294 HydrophobicContact CD2-CG 4.49Å; W186-L294 HydrophobicContact CE3-CD1 4.06Å; W186-L294 HydrophobicContact CG-CB 4.09Å; W186-L294 HydrophobicContact CG-CD1 4.05Å; W186-L294 HydrophobicContact CG-CD2 3.91Å; W186-L294 HydrophobicContact CG-CG 4.23Å
187K98.1Very high97.5Very high106 Ų10643.5 Ų43.546%0.46123%0.228SC..Hα-helixtrans-58.4-34.7174.1-72.7170-179.1168.70111.9T183 N184 T189 Q190T183-K187 HydrophobicContact CG2-CD 4.15Å; T183-K187 WeakPolarHBondContact O-CG 3.1Å; T183-K187 PolarHBondContact O-N 3.21Å; N184-K187 PolarHBondContact O-N 3.36Å; K187-T189 VanDerWaalsContact C-N 3.29Å; K187-T189 PolarHBondContact O-N 3.32Å; K187-Q190 WeakPolarHBondContact O-CB 3.18Å; K187-Q190 PolarHBondContact O-N 3.01Å
188K97.9Very high97.5Very high58 Ų5842.6 Ų42.625%0.25222%0.222SC..Hα-helixtrans-64.4-33.7179.4-16665.5176.2175.10112V117 W125 N184 W185 W186 Q190 T191 H192 I195V117-K188 HydrophobicContact CG1-CB 4.33Å; V117-K188 HydrophobicContact CG1-CD 3.97Å; V117-K188 HydrophobicContact CG1-CG 4.08Å; V117-K188 HydrophobicContact CG2-CB 4.33Å; W125-K188 HydrophobicContact CH2-CD 4.24Å; W125-K188 HydrophobicContact CH2-CG 3.76Å; W125-K188 HydrophobicContact CZ3-CD 4.22Å; W125-K188 HydrophobicContact CZ3-CG 3.81Å; N184-K188 WeakPolarHBondContact O-CB 3.17Å; N184-K188 PolarHBondContact O-N 3.01Å; W185-K188 WeakPolarHBondContact O-CB 3.49Å; W185-K188 PolarHBondContact O-N 3.41Å; W186-K188 PolarHBondContact O-N 3.13Å; K188-Q190 PolarHBondContact O-N 3.13Å; K188-T191 CarbonylContact O-C 3.55Å; K188-T191 PolarHBondContact O-N 2.76Å; K188-T191 PolarHBondContact O-OG1 3.1Å; K188-T191 VanDerWaalsContact O-OG1 3.07Å; K188-H192 HydrophobicContact CG-CB 4.45Å; K188-H192 PolarHBondContact O-N 2.75Å; K188-I195 HydrophobicContact CB-CD1 3.97Å; K188-I195 HydrophobicContact CG-CD1 3.57Å
189T97.1Very high97.5Very high34 Ų3444 Ų4421%0.20923%0.228CC..Hα-helixtrans-61.1-28.4176.275.10000112.7W185 W186 K187 T191 I195 Y197W185-T189 WeakPolarHBondContact O-CG2 3.43Å; W185-T189 PolarHBondContact O-N 3.32Å; W186-T189 PolarHBondContact O-N 3.29Å; W186-T189 VanDerWaalsContact O-N 3.12Å; W186-T189 PolarHBondContact O-OG1 3.02Å; K187-T189 VanDerWaalsContact C-N 3.29Å; K187-T189 PolarHBondContact O-N 3.32Å; T189-T191 PolarHBondContact O-N 2.69Å; T189-I195 HydrophobicContact CG2-CB 4.09Å; T189-I195 HydrophobicContact CG2-CG2 3.88Å; T189-Y197 HydrophobicContact CG2-CD2 3.85Å; T189-Y197 HydrophobicContact CG2-CG 4.37Å
190Q95.2Very high97.5Very high128 Ų12844.5 Ų44.560%0.59823%0.23SC*.THydrogen-bonded Turntrans-73.1-18177.7-53.8176.97.700112.5K187 K188K187-Q190 WeakPolarHBondContact O-CB 3.18Å; K187-Q190 PolarHBondContact O-N 3.01Å; K188-Q190 PolarHBondContact O-N 3.13Å
191T94.5Very high97.5Very high107 Ų10740.1 Ų40.166%0.65621%0.206SC*.THydrogen-bonded Turntrans-116.9-8.7-177.960.80000113.3K188 T189K188-T191 CarbonylContact O-C 3.55Å; K188-T191 PolarHBondContact O-N 2.76Å; K188-T191 PolarHBondContact O-OG1 3.1Å; K188-T191 VanDerWaalsContact O-OG1 3.07Å; T189-T191 PolarHBondContact O-N 2.69Å
192H93.4Very high97.5Very high25 Ų2541.5 Ų41.512%0.11621%0.214CC..  trans-140.8112.2-178.8-16268.7000109.8W125 N128 K188 N194 I195W125-H192 AromaticContact CE3-CD2 3.99Å; W125-H192 AromaticContact CZ3-CD2 3.98Å; N128-H192 PolarHBondContact OD1-CE1 3.46Å; N128-H192 PolarHBondContact OD1-NE2 3.15Å; K188-H192 HydrophobicContact CG-CB 4.45Å; K188-H192 PolarHBondContact O-N 2.75Å; H192-N194 VanDerWaalsContact C-N 3.31Å; H192-N194 PolarHBondContact O-N 2.69Å; H192-I195 HydrophobicContact CB-CD1 4.05Å; H192-I195 HydrophobicContact CB-CG1 4.26Å
193S92Very high97.5Very high98 Ų9841.6 Ų41.669%0.68521%0.214SC*.THydrogen-bonded Turntrans-72.5-21.9-172.356.80000114I195S193-I195 PolarHBondContact O-N 2.81Å; S193-I195 VanDerWaalsContact O-N 3.14Å
194N97.3Very high97.5Very high42 Ų4243 Ų4323%0.22522%0.221CC..THydrogen-bonded Turntrans-87.435-177.4-75.66.4000112.7N128 M131 H192N128-N194 PolarHBondContact ND2-ND2 3.49Å; N128-N194 PolarHBondContact O-ND2 3.32Å; N128-N194 PolarHBondContact OD1-ND2 2.96Å; M131-N194 PolarHBondContact N-O 3.48Å; H192-N194 VanDerWaalsContact C-N 3.31Å; H192-N194 PolarHBondContact O-N 2.69Å
195I98.6Very high97.5Very high14 Ų1444.9 Ų44.97%0.07223%0.228CC..EExtended strand (participates in β ladder)trans-120118.9172.8-48-175.4000109.6W125 M131 W185 K188 T189 H192 S193W125-I195 HydrophobicContact CH2-CD1 4.44Å; W125-I195 HydrophobicContact CZ3-CD1 4.03Å; M131-I195 HydrophobicContact CB-CG1 4.23Å; M131-I195 HydrophobicContact CB-CG2 4.4Å; M131-I195 CarbonylContact O-C 3.57Å; M131-I195 VanDerWaalsContact O-CA 3.31Å; M131-I195 WeakPolarHBondContact O-CA 3.4Å; W185-I195 HydrophobicContact CE3-CD1 4.5Å; W185-I195 HydrophobicContact CZ3-CD1 4.41Å; K188-I195 HydrophobicContact CB-CD1 3.97Å; K188-I195 HydrophobicContact CG-CD1 3.57Å; T189-I195 HydrophobicContact CG2-CB 4.09Å; T189-I195 HydrophobicContact CG2-CG2 3.88Å; H192-I195 HydrophobicContact CB-CD1 4.05Å; H192-I195 HydrophobicContact CB-CG1 4.26Å; S193-I195 PolarHBondContact O-N 2.81Å; S193-I195 VanDerWaalsContact O-N 3.14Å
196H98.6Very high97.5Very high34 Ų3447.7 Ų47.716%0.15724%0.243CC..EExtended strand (participates in β ladder)trans-95.3109.8168.6-170.460.4000109.7M131 I132 Y133 M198 F217M131-H196 PolarHBondContact O-N 2.99Å; I132-H196 WeakPolarHBondContact CA-O 3.41Å; I132-H196 HydrophobicContact CG1-CB 4.41Å; Y133-H196 PolarHBondContact N-O 3.2Å; H196-M198 WeakPolarHBondContact CD2-CG 3.38Å; H196-F217 HydrophobicContact CB-CB 4.34Å; H196-F217 HydrophobicContact CB-CD1 3.51Å; H196-F217 HydrophobicContact CB-CD2 3.79Å; H196-F217 HydrophobicContact CB-CE1 3.61Å; H196-F217 HydrophobicContact CB-CE2 3.87Å; H196-F217 HydrophobicContact CB-CG 3.61Å; H196-F217 HydrophobicContact CB-CZ 3.78Å; H196-F217 AromaticContact CG-CG 3.98Å
197Y98.8Very high97.4Very high27 Ų2747.1 Ų47.111%0.10624%0.244CC..EExtended strand (participates in β ladder)trans-95.4120.8179.6-159.9-72.5000110Y133 A135 V182 W185 W186 T189 F199 L294Y133-Y197 HydrophobicContact CD1-CD1 4.33Å; Y133-Y197 AromaticContact CD1-CD2 3.47Å; Y133-Y197 HydrophobicContact CD1-CD2 3.47Å; Y133-Y197 VanDerWaalsContact CD1-CD2 3.47Å; Y133-Y197 HydrophobicContact CD1-CE1 4.06Å; Y133-Y197 AromaticContact CD1-CE2 3.14Å; Y133-Y197 HydrophobicContact CD1-CE2 3.14Å; Y133-Y197 HydrophobicContact CD1-CG 4.07Å; Y133-Y197 AromaticContact CD1-CZ 3.48Å; Y133-Y197 VanDerWaalsContact CD1-CZ 3.48Å; Y133-Y197 HydrophobicContact CE1-CD2 4.24Å; Y133-Y197 HydrophobicContact CE1-CE1 4.28Å; Y133-Y197 AromaticContact CE1-CE2 3.45Å; Y133-Y197 HydrophobicContact CE1-CE2 3.45Å; Y133-Y197 VanDerWaalsContact CE1-CE2 3.45Å; Y133-Y197 AromaticContact CE1-CZ 3.48Å; Y133-Y197 VanDerWaalsContact CE1-CZ 3.48Å; Y133-Y197 WeakPolarHBondContact CE1-OH 3.45Å; Y133-Y197 HydrophobicContact CG-CD2 4.08Å; Y133-Y197 HydrophobicContact CG-CE2 4.06Å; Y133-Y197 CarbonylContact O-C 3.53Å; Y133-Y197 WeakPolarHBondContact O-CA 3.37Å; A135-Y197 HydrophobicContact CB-CE1 3.52Å; A135-Y197 WeakPolarHBondContact CB-OH 3.48Å; V182-Y197 PolarHBondContact O-OH 3.41Å; W185-Y197 HydrophobicContact CB-CE2 4.11Å; W186-Y197 HydrophobicContact CB-CD2 4.47Å; W186-Y197 HydrophobicContact CB-CE2 3.8Å; W186-Y197 AromaticContact CE3-CD1 3.84Å; W186-Y197 HydrophobicContact CE3-CD1 3.84Å; W186-Y197 AromaticContact CE3-CD2 3.87Å; W186-Y197 HydrophobicContact CE3-CD2 3.87Å; W186-Y197 HydrophobicContact CE3-CE1 4.03Å; W186-Y197 HydrophobicContact CE3-CE2 4.04Å; W186-Y197 AromaticContact CE3-CG 3.76Å; W186-Y197 HydrophobicContact CE3-CG 3.76Å; W186-Y197 HydrophobicContact CZ3-CD1 4.05Å; W186-Y197 HydrophobicContact CZ3-CG 4.1Å; T189-Y197 HydrophobicContact CG2-CD2 3.85Å; T189-Y197 HydrophobicContact CG2-CG 4.37Å; Y197-F199 HydrophobicContact CD1-CE1 4.46Å; Y197-F199 HydrophobicContact CD1-CE2 4.13Å; Y197-F199 AromaticContact CD1-CZ 3.98Å; Y197-F199 HydrophobicContact CD1-CZ 3.98Å; Y197-F199 AromaticContact CE1-CE1 3.86Å; Y197-F199 HydrophobicContact CE1-CE1 3.86Å; Y197-F199 HydrophobicContact CE1-CE2 4.32Å; Y197-F199 AromaticContact CE1-CZ 3.74Å; Y197-F199 HydrophobicContact CE1-CZ 3.74Å; Y197-L294 HydrophobicContact CE1-CD1 4.04Å
198M98.6Very high97.4Very high2 Ų242.7 Ų42.71%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-120157.1-176-54.5-179.875.200110.8V58 I132 Y133 V134 A135 H196 M203 E210 L214V58-M198 HydrophobicContact CG2-SD 4.43Å; I132-M198 HydrophobicContact CG2-SD 3.92Å; Y133-M198 PolarHBondContact O-N 3.21Å; V134-M198 HydrophobicContact CG1-CB 4.48Å; V134-M198 HydrophobicContact CG2-CB 4.29Å; V134-M198 HydrophobicContact CG2-SD 4.37Å; A135-M198 PolarHBondContact N-O 2.83Å; H196-M198 WeakPolarHBondContact CD2-CG 3.38Å; M198-M203 HydrophobicContact CE-CG 4.13Å; M198-M203 HydrophobicContact CE-SD 4.37Å; M198-E210 HydrophobicContact CE-CB 3.81Å; M198-E210 HydrophobicContact CE-CG 4.45Å; M198-L214 HydrophobicContact CE-CD1 3.71Å; M198-L214 HydrophobicContact CE-CD2 4.29Å; M198-L214 HydrophobicContact CE-CG 3.71Å; M198-L214 HydrophobicContact SD-CD1 3.89Å; M198-L214 HydrophobicContact SD-CD2 3.6Å; M198-L214 HydrophobicContact SD-CG 3.72Å
199F98.9Very high97.4Very high29 Ų2944 Ų4413%0.12723%0.233CC..EExtended strand (participates in β ladder)trans-112.8131.6172.1-61.7-88000109.9A135 Y197 E201 D202 M203 L294 H295 F296A135-F199 HydrophobicContact CB-CD1 4.28Å; A135-F199 HydrophobicContact CB-CE1 4.44Å; A135-F199 CarbonylContact O-C 3.59Å; A135-F199 WeakPolarHBondContact O-CA 3.34Å; Y197-F199 HydrophobicContact CD1-CE1 4.46Å; Y197-F199 HydrophobicContact CD1-CE2 4.13Å; Y197-F199 AromaticContact CD1-CZ 3.98Å; Y197-F199 HydrophobicContact CD1-CZ 3.98Å; Y197-F199 AromaticContact CE1-CE1 3.86Å; Y197-F199 HydrophobicContact CE1-CE1 3.86Å; Y197-F199 HydrophobicContact CE1-CE2 4.32Å; Y197-F199 AromaticContact CE1-CZ 3.74Å; Y197-F199 HydrophobicContact CE1-CZ 3.74Å; F199-E201 PolarHBondContact O-N 2.92Å; F199-D202 HydrophobicContact CB-CB 4.34Å; F199-D202 PolarHBondContact O-N 2.94Å; F199-D202 VanDerWaalsContact O-N 3.08Å; F199-M203 WeakPolarHBondContact O-CG 3.32Å; F199-M203 PolarHBondContact O-N 3.29Å; F199-M203 VanDerWaalsContact O-N 3.15Å; F199-L294 HydrophobicContact CE1-CD1 3.92Å; F199-L294 HydrophobicContact CZ-CD1 3.9Å; F199-H295 WeakPolarHBondContact CE1-O 3.33Å; F199-F296 AromaticContact CD1-CD1 3.92Å; F199-F296 HydrophobicContact CD1-CD1 3.92Å; F199-F296 AromaticContact CD1-CE1 3.85Å; F199-F296 HydrophobicContact CD1-CE1 3.85Å; F199-F296 HydrophobicContact CE1-CD1 4.08Å; F199-F296 AromaticContact CE1-CE1 3.84Å; F199-F296 HydrophobicContact CE1-CE1 3.84Å; F199-F296 HydrophobicContact CE1-CE2 4.45Å; F199-F296 HydrophobicContact CE1-CG 4.49Å; F199-F296 HydrophobicContact CE1-CZ 4.04Å
200Y98.9Very high97.5Very high15 Ų1542.7 Ų42.76%0.05922%0.224CC..Hα-helixtrans-55.4-35.7174.9178.5-92.8000111.2W57 A135 R136 M203 I204 G264 V266W57-Y200 AromaticContact CE3-CD2 3.94Å; W57-Y200 HydrophobicContact CE3-CD2 3.94Å; W57-Y200 AromaticContact CE3-CE2 3.56Å; W57-Y200 HydrophobicContact CE3-CE2 3.56Å; W57-Y200 HydrophobicContact CZ3-CD2 4.02Å; W57-Y200 AromaticContact CZ3-CE2 3.68Å; W57-Y200 HydrophobicContact CZ3-CE2 3.68Å; A135-Y200 WeakPolarHBondContact O-CB 3.43Å; A135-Y200 PolarHBondContact O-N 2.99Å; R136-Y200 HydrophobicContact CB-CG 4.29Å; R136-Y200 HydrophobicContact CG-CD1 3.85Å; R136-Y200 HydrophobicContact CG-CG 3.92Å; Y200-M203 WeakPolarHBondContact O-CB 3.36Å; Y200-M203 PolarHBondContact O-N 3.44Å; Y200-I204 HydrophobicContact CD1-CG1 4.02Å; Y200-I204 HydrophobicContact CE1-CD1 4Å; Y200-I204 HydrophobicContact CE1-CG1 3.55Å; Y200-I204 WeakPolarHBondContact O-CG1 3.43Å; Y200-I204 PolarHBondContact O-N 3.41Å; Y200-G264 VanDerWaalsContact OH-C 3.25Å; Y200-G264 WeakPolarHBondContact OH-CA 3.31Å; Y200-V266 HydrophobicContact CD1-CG2 4.27Å; Y200-V266 HydrophobicContact CE1-CG2 4.29Å
201E98.8Very high97.6Very high1 Ų136.8 Ų36.81%0.00520%0.196CC..Hα-helixtrans-60.8-44.6177.3-64.767-146.500111.7R136 N137 F199 M203 I204 E205 V266 R297 L300R136-E201 WeakPolarHBondContact CG-OE1 3.34Å; N137-E201 WeakPolarHBondContact CB-OE1 3.34Å; N137-E201 PolarHBondContact N-OE1 2.66Å; N137-E201 PolarHBondContact ND2-OE1 2.97Å; F199-E201 PolarHBondContact O-N 2.92Å; E201-M203 VanDerWaalsContact C-N 3.3Å; E201-M203 PolarHBondContact O-N 3.25Å; E201-I204 PolarHBondContact O-N 3.5Å; E201-E205 WeakPolarHBondContact O-CB 3.29Å; E201-E205 PolarHBondContact O-N 3.18Å; E201-V266 HydrophobicContact CB-CG2 4.29Å; E201-V266 HydrophobicContact CG-CG1 4.06Å; E201-V266 HydrophobicContact CG-CG2 3.99Å; E201-R297 HydrophobicContact CB-CB 4.3Å; E201-R297 HydrophobicContact CG-CB 4.09Å; E201-R297 WeakPolarHBondContact CG-O 3.24Å; E201-L300 HydrophobicContact CB-CD2 4.2Å
202D98.8Very high97.8Very high32 Ų3236.3 Ų36.317%0.17119%0.187CC..Hα-helixtrans-65.8-36.9177.4-61.1-3000111F199 I204 E205 D206 E210 R297F199-D202 HydrophobicContact CB-CB 4.34Å; F199-D202 PolarHBondContact O-N 2.94Å; F199-D202 VanDerWaalsContact O-N 3.08Å; D202-I204 VanDerWaalsContact C-N 3.31Å; D202-I204 PolarHBondContact O-N 3.24Å; D202-E205 PolarHBondContact O-N 2.8Å; D202-D206 CarbonylContact O-C 3.55Å; D202-D206 PolarHBondContact O-N 2.7Å; D202-E210 HydrophobicContact CB-CG 4.01Å; D202-R297 IonicContact OD1-CZ 2.66Å; D202-R297 IonicContact OD1-NE 2.78Å; D202-R297 IonicContact OD1-NH2 2.64Å; D202-R297 PolarHBondContact OD1-NH2 3.3Å
203M98.5Very high98.1Very high1 Ų138.9 Ų38.91%0.00520%0.198CC..Hα-helixtrans-64.5-36176.1-62.317569.100112.1W57 V58 I61 V134 M198 F199 Y200 E201 T207 E210W57-M203 HydrophobicContact CB-CE 4.48Å; W57-M203 HydrophobicContact CD2-CE 3.67Å; W57-M203 HydrophobicContact CE3-CB 4.1Å; W57-M203 HydrophobicContact CE3-CE 3.58Å; W57-M203 HydrophobicContact CE3-SD 4.22Å; W57-M203 HydrophobicContact CG-CE 4.06Å; W57-M203 VanDerWaalsContact CH2-C 3.43Å; W57-M203 HydrophobicContact CH2-CB 3.62Å; W57-M203 VanDerWaalsContact CH2-O 3.27Å; W57-M203 WeakPolarHBondContact CH2-O 3.27Å; W57-M203 HydrophobicContact CZ2-CB 4.41Å; W57-M203 HydrophobicContact CZ3-CB 3.42Å; W57-M203 VanDerWaalsContact CZ3-CB 3.42Å; W57-M203 HydrophobicContact CZ3-CE 4.1Å; W57-M203 HydrophobicContact CZ3-SD 4.44Å; V58-M203 HydrophobicContact CB-CE 4.33Å; I61-M203 HydrophobicContact CD1-CE 3.69Å; V134-M203 HydrophobicContact CG1-SD 3.85Å; M198-M203 HydrophobicContact CE-CG 4.13Å; M198-M203 HydrophobicContact CE-SD 4.37Å; F199-M203 WeakPolarHBondContact O-CG 3.32Å; F199-M203 PolarHBondContact O-N 3.29Å; F199-M203 VanDerWaalsContact O-N 3.15Å; Y200-M203 WeakPolarHBondContact O-CB 3.36Å; Y200-M203 PolarHBondContact O-N 3.44Å; E201-M203 VanDerWaalsContact C-N 3.3Å; E201-M203 PolarHBondContact O-N 3.25Å; M203-T207 VanDerWaalsContact O-CA 3.29Å; M203-T207 WeakPolarHBondContact O-CA 3.31Å; M203-T207 WeakPolarHBondContact O-CB 3.4Å; M203-T207 PolarHBondContact O-N 3.06Å; M203-T207 VanDerWaalsContact O-N 3.17Å; M203-T207 PolarHBondContact O-OG1 2.9Å; M203-E210 HydrophobicContact CB-CG 4.44Å; M203-E210 HydrophobicContact CG-CB 4.17Å; M203-E210 HydrophobicContact CG-CG 4.07Å
204I98.4Very high98.3Very high52 Ų5234.2 Ų34.227%0.26717%0.165SC..Hα-helixtrans-73.8-43.7176.4-65.9-72.6000110.9W57 Y200 E201 D202 G264 V266 L300W57-I204 HydrophobicContact CH2-CD1 3.47Å; W57-I204 VanDerWaalsContact CH2-CD1 3.47Å; W57-I204 HydrophobicContact CH2-CG1 3.92Å; W57-I204 HydrophobicContact CZ3-CD1 3.55Å; W57-I204 HydrophobicContact CZ3-CG1 3.81Å; Y200-I204 HydrophobicContact CD1-CG1 4.02Å; Y200-I204 HydrophobicContact CE1-CD1 4Å; Y200-I204 HydrophobicContact CE1-CG1 3.55Å; Y200-I204 WeakPolarHBondContact O-CG1 3.43Å; Y200-I204 PolarHBondContact O-N 3.41Å; E201-I204 PolarHBondContact O-N 3.5Å; D202-I204 VanDerWaalsContact C-N 3.31Å; D202-I204 PolarHBondContact O-N 3.24Å; I204-G264 WeakPolarHBondContact CD1-O 3.17Å; I204-V266 HydrophobicContact CB-CG2 4.11Å; I204-V266 HydrophobicContact CG1-CG2 4.09Å; I204-V266 HydrophobicContact CG2-CG2 4.25Å; I204-L300 HydrophobicContact CB-CD1 3.78Å; I204-L300 HydrophobicContact CG2-CD1 3.34Å
205E98.3Very high98.4Very high90 Ų9032.5 Ų32.542%0.42116%0.156SC..Hα-helixtrans-62.3-48.7179.3179.8-177.7-117.400111.9E201 D202 R209 R297 L300E201-E205 WeakPolarHBondContact O-CB 3.29Å; E201-E205 PolarHBondContact O-N 3.18Å; D202-E205 PolarHBondContact O-N 2.8Å; E205-R209 IonicContact OE2-CZ 3.74Å; E205-R209 IonicContact OE2-NH1 3.75Å; E205-R209 IonicContact OE2-NH2 2.81Å; E205-R209 PolarHBondContact OE2-NH2 3.45Å; E205-R297 IonicContact OE1-CZ 2.83Å; E205-R297 IonicContact OE1-NH1 2.77Å; E205-R297 PolarHBondContact OE1-NH1 2.9Å; E205-R297 IonicContact OE1-NH2 3.36Å; E205-R297 IonicContact OE2-CZ 3.86Å; E205-R297 IonicContact OE2-NH1 3.57Å; E205-R297 PolarHBondContact OE2-NH1 3.4Å; E205-R297 IonicContact OE2-NH2 3.37Å; E205-R297 PolarHBondContact OE2-NH2 2.64Å; E205-L300 HydrophobicContact CB-CD1 4.25Å; E205-L300 HydrophobicContact CB-CD2 4.13Å
206D98.1Very high98.4Very high60 Ų6036.5 Ų36.532%0.32119%0.186SC..  trans-147.586179.8-169-18000111.5D202 G208 R209 E210D202-D206 CarbonylContact O-C 3.55Å; D202-D206 PolarHBondContact O-N 2.7Å; D206-G208 PolarHBondContact O-N 2.98Å; D206-G208 WeakPolarHBondContact OD1-CA 3.39Å; D206-G208 PolarHBondContact OD1-N 3.34Å; D206-R209 HydrophobicContact CB-CB 3.93Å; D206-R209 PolarHBondContact O-N 2.95Å; D206-R209 PolarHBondContact OD1-N 2.95Å; D206-R209 WeakPolarHBondContact OD2-CB 3.48Å; D206-E210 PolarHBondContact O-N 3.36Å
207T97.8Very high98.3Very high34 Ų3437.2 Ų37.221%0.20919%0.188CC..Hα-helixtrans-58.8-32.2176.4-50.30000112.6W57 M203 I211 V234W57-T207 HydrophobicContact CZ2-CG2 4.15Å; M203-T207 VanDerWaalsContact O-CA 3.29Å; M203-T207 WeakPolarHBondContact O-CA 3.31Å; M203-T207 WeakPolarHBondContact O-CB 3.4Å; M203-T207 PolarHBondContact O-N 3.06Å; M203-T207 VanDerWaalsContact O-N 3.17Å; M203-T207 PolarHBondContact O-OG1 2.9Å; T207-I211 HydrophobicContact CG2-CD1 3.89Å; T207-I211 HydrophobicContact CG2-CG1 4.46Å; T207-I211 WeakPolarHBondContact O-CD1 3.32Å; T207-I211 VanDerWaalsContact O-CG1 3.23Å; T207-I211 WeakPolarHBondContact O-CG1 3.03Å; T207-I211 PolarHBondContact O-N 3.15Å; T207-V234 HydrophobicContact CG2-CG2 3.98Å
208G97.7Very high98.3Very high14 Ų1436.1 Ų36.114%0.14418%0.184CC..Hα-helixtrans-66.3-50.8-179.600000111.2D206 E210 I211 E212D206-G208 PolarHBondContact O-N 2.98Å; D206-G208 WeakPolarHBondContact OD1-CA 3.39Å; D206-G208 PolarHBondContact OD1-N 3.34Å; G208-E210 VanDerWaalsContact C-N 3.33Å; G208-E210 PolarHBondContact O-N 3.38Å; G208-I211 PolarHBondContact O-N 2.81Å; G208-E212 WeakPolarHBondContact O-CG 3.24Å; G208-E212 PolarHBondContact O-N 2.88Å
209R98Very high98.2Very high86 Ų8639.1 Ų39.133%0.32522%0.215SC..Hα-helixtrans-57.2-43.7176.3-179.1-17869.2-158.3-2112.4E205 D206 E212 K213E205-R209 IonicContact OE2-CZ 3.74Å; E205-R209 IonicContact OE2-NH1 3.75Å; E205-R209 IonicContact OE2-NH2 2.81Å; E205-R209 PolarHBondContact OE2-NH2 3.45Å; D206-R209 HydrophobicContact CB-CB 3.93Å; D206-R209 PolarHBondContact O-N 2.95Å; D206-R209 PolarHBondContact OD1-N 2.95Å; D206-R209 WeakPolarHBondContact OD2-CB 3.48Å; R209-E212 PolarHBondContact O-N 2.83Å; R209-K213 WeakPolarHBondContact O-CG 3.4Å; R209-K213 PolarHBondContact O-N 3.46Å
210E98.4Very high98.1Very high6 Ų640.1 Ų40.13%0.02822%0.222CC..Hα-helixtrans-69.8-32.8179.5-62.7-44.711600112.7M198 D202 M203 D206 G208 E212 K213 L214M198-E210 HydrophobicContact CE-CB 3.81Å; M198-E210 HydrophobicContact CE-CG 4.45Å; D202-E210 HydrophobicContact CB-CG 4.01Å; M203-E210 HydrophobicContact CB-CG 4.44Å; M203-E210 HydrophobicContact CG-CB 4.17Å; M203-E210 HydrophobicContact CG-CG 4.07Å; D206-E210 PolarHBondContact O-N 3.36Å; G208-E210 VanDerWaalsContact C-N 3.33Å; G208-E210 PolarHBondContact O-N 3.38Å; E210-E212 VanDerWaalsContact C-N 3.34Å; E210-K213 WeakPolarHBondContact OE1-CE 3.45Å; E210-K213 IonicContact OE1-NZ 2.72Å; E210-K213 PolarHBondContact OE1-NZ 3.06Å; E210-K213 WeakPolarHBondContact OE2-CD 3.48Å; E210-K213 IonicContact OE2-NZ 3.38Å; E210-K213 PolarHBondContact OE2-NZ 3.5Å; E210-L214 WeakPolarHBondContact O-CB 3.37Å; E210-L214 WeakPolarHBondContact O-CG 2.85Å; E210-L214 PolarHBondContact O-N 2.99Å
211I98.4Very high98Very high3 Ų345.2 Ų45.22%0.01526%0.26CS..Hα-helixtrans-63.7-39.8170.3-71.9165000110.8I61 T207 G208 L214 C215 I230 R231 V234I61-I211 HydrophobicContact CD1-CG1 4.44Å; I61-I211 HydrophobicContact CG2-CG1 4.01Å; T207-I211 HydrophobicContact CG2-CD1 3.89Å; T207-I211 HydrophobicContact CG2-CG1 4.46Å; T207-I211 WeakPolarHBondContact O-CD1 3.32Å; T207-I211 VanDerWaalsContact O-CG1 3.23Å; T207-I211 WeakPolarHBondContact O-CG1 3.03Å; T207-I211 PolarHBondContact O-N 3.15Å; G208-I211 PolarHBondContact O-N 2.81Å; I211-L214 WeakPolarHBondContact O-CB 3.49Å; I211-L214 PolarHBondContact O-N 2.86Å; I211-C215 WeakPolarHBondContact O-CB 3.39Å; I211-C215 PolarHBondContact O-N 3.41Å; I211-C215 PolarHBondContact O-SG 3.12Å; I211-I230 HydrophobicContact CD1-CG2 3.84Å; I211-R231 HydrophobicContact CD1-CG 3.75Å; I211-V234 HydrophobicContact CD1-CG2 4.46Å
212E98Very high97.9Very high97 Ų9746.2 Ų46.245%0.45327%0.266SS..Hα-helixtrans-67.1-41.1178.8-68.3-170.3152.100113G208 R209 E210 L214 C215 S216 K227G208-E212 WeakPolarHBondContact O-CG 3.24Å; G208-E212 PolarHBondContact O-N 2.88Å; R209-E212 PolarHBondContact O-N 2.83Å; E210-E212 VanDerWaalsContact C-N 3.34Å; E212-L214 VanDerWaalsContact C-N 3.33Å; E212-C215 PolarHBondContact O-N 3.17Å; E212-S216 WeakPolarHBondContact O-CB 3.32Å; E212-S216 PolarHBondContact O-N 2.93Å; E212-S216 PolarHBondContact O-OG 3.11Å; E212-K227 IonicContact OE1-NZ 2.8Å; E212-K227 PolarHBondContact OE1-NZ 3.46Å
213K98.4Very high97.7Very high80 Ų8046.9 Ų46.935%0.34827%0.274SS..Hα-helixtrans-60-44.7171.8-70.7173.8-178.8170.60111.2R209 E210 S216 F217R209-K213 WeakPolarHBondContact O-CG 3.4Å; R209-K213 PolarHBondContact O-N 3.46Å; E210-K213 WeakPolarHBondContact OE1-CE 3.45Å; E210-K213 IonicContact OE1-NZ 2.72Å; E210-K213 PolarHBondContact OE1-NZ 3.06Å; E210-K213 WeakPolarHBondContact OE2-CD 3.48Å; E210-K213 IonicContact OE2-NZ 3.38Å; E210-K213 PolarHBondContact OE2-NZ 3.5Å; K213-S216 PolarHBondContact O-N 2.92Å; K213-F217 PolarHBondContact O-N 3.36Å
214L98.1Very high97.5Very high0 Ų050.1 Ų50.10%030%0.3CS..Hα-helixtrans-59.5-49.3175-84.4172.3000111.8V58 I61 I132 M198 E210 I211 E212 S216 F217 I218V58-L214 HydrophobicContact CG2-CD1 4.19Å; I61-L214 HydrophobicContact CG2-CD1 3.87Å; I132-L214 HydrophobicContact CD1-CD2 3.72Å; I132-L214 HydrophobicContact CG1-CD2 4.14Å; I132-L214 HydrophobicContact CG2-CD2 4.03Å; M198-L214 HydrophobicContact CE-CD1 3.71Å; M198-L214 HydrophobicContact CE-CD2 4.29Å; M198-L214 HydrophobicContact CE-CG 3.71Å; M198-L214 HydrophobicContact SD-CD1 3.89Å; M198-L214 HydrophobicContact SD-CD2 3.6Å; M198-L214 HydrophobicContact SD-CG 3.72Å; E210-L214 WeakPolarHBondContact O-CB 3.37Å; E210-L214 WeakPolarHBondContact O-CG 2.85Å; E210-L214 PolarHBondContact O-N 2.99Å; I211-L214 WeakPolarHBondContact O-CB 3.49Å; I211-L214 PolarHBondContact O-N 2.86Å; E212-L214 VanDerWaalsContact C-N 3.33Å; L214-S216 VanDerWaalsContact C-N 3.29Å; L214-S216 PolarHBondContact O-N 3.11Å; L214-F217 PolarHBondContact O-N 2.84Å; L214-F217 VanDerWaalsContact O-N 3.15Å; L214-I218 VanDerWaalsContact O-CG1 3.24Å; L214-I218 WeakPolarHBondContact O-CG1 3.46Å; L214-I218 PolarHBondContact O-N 3.01Å
215C98.3Very high97.3Very high6 Ų654.4 Ų54.44%0.04132%0.319CS..Hα-helixtrans-55.6-45.4177.4-70.10000111.6L65 I211 E212 F217 I218 G219 L220L65-C215 WeakPolarHBondContact CD2-SG 3.44Å; I211-C215 WeakPolarHBondContact O-CB 3.39Å; I211-C215 PolarHBondContact O-N 3.41Å; I211-C215 PolarHBondContact O-SG 3.12Å; E212-C215 PolarHBondContact O-N 3.17Å; C215-F217 PolarHBondContact O-N 2.94Å; C215-I218 PolarHBondContact O-N 3.38Å; C215-G219 PolarHBondContact O-N 2.94Å; C215-L220 WeakPolarHBondContact CB-O 3.4Å; C215-L220 PolarHBondContact O-N 2.88Å
216S98.1Very high97.1Very high98 Ų9852.2 Ų52.269%0.68531%0.309SS*.Hα-helixtrans-61.5-43.5177.9-56.20000111.6E212 K213 L214 G219E212-S216 WeakPolarHBondContact O-CB 3.32Å; E212-S216 PolarHBondContact O-N 2.93Å; E212-S216 PolarHBondContact O-OG 3.11Å; K213-S216 PolarHBondContact O-N 2.92Å; L214-S216 VanDerWaalsContact C-N 3.29Å; L214-S216 PolarHBondContact O-N 3.11Å; S216-G219 PolarHBondContact O-N 2.74Å
217F98.3Very high96.9Very high48 Ų4852 Ų5221%0.21131%0.305CS..Hα-helixtrans-66.9-40.4178.4176-107.6000113.1R130 I132 H196 K213 L214 C215 G219R130-F217 HydrophobicContact CB-CE1 4.05Å; R130-F217 HydrophobicContact CB-CZ 4.26Å; R130-F217 HydrophobicContact CG-CE1 4.27Å; R130-F217 HydrophobicContact CG-CZ 4.25Å; I132-F217 HydrophobicContact CG1-CD1 4.19Å; I132-F217 HydrophobicContact CG1-CE1 3.9Å; H196-F217 HydrophobicContact CB-CB 4.34Å; H196-F217 HydrophobicContact CB-CD1 3.51Å; H196-F217 HydrophobicContact CB-CD2 3.79Å; H196-F217 HydrophobicContact CB-CE1 3.61Å; H196-F217 HydrophobicContact CB-CE2 3.87Å; H196-F217 HydrophobicContact CB-CG 3.61Å; H196-F217 HydrophobicContact CB-CZ 3.78Å; H196-F217 AromaticContact CG-CG 3.98Å; K213-F217 PolarHBondContact O-N 3.36Å; L214-F217 PolarHBondContact O-N 2.84Å; L214-F217 VanDerWaalsContact O-N 3.15Å; C215-F217 PolarHBondContact O-N 2.94Å; F217-G219 VanDerWaalsContact C-N 3.34Å
218I97.2Very high96.7Very high4 Ų454.8 Ų54.82%0.02132%0.316CS..Hα-helixtrans-90.33.2-17971.8-171000113.5I45 L62 L65 Y66 R130 I132 L214 C215 L220I45-I218 HydrophobicContact CD1-CG2 4.4Å; L62-I218 HydrophobicContact CD2-CD1 3.97Å; L62-I218 HydrophobicContact CD2-CG2 4.44Å; L65-I218 HydrophobicContact CD1-CD1 3.98Å; Y66-I218 HydrophobicContact CE2-CD1 3.88Å; R130-I218 VanDerWaalsContact NH1-C 3.29Å; R130-I218 PolarHBondContact NH1-O 2.88Å; I132-I218 HydrophobicContact CD1-CG2 4.23Å; L214-I218 VanDerWaalsContact O-CG1 3.24Å; L214-I218 WeakPolarHBondContact O-CG1 3.46Å; L214-I218 PolarHBondContact O-N 3.01Å; C215-I218 PolarHBondContact O-N 3.38Å; I218-L220 VanDerWaalsContact C-N 3.32Å; I218-L220 HydrophobicContact CD1-CB 4.41Å; I218-L220 HydrophobicContact CD1-CD1 3.71Å; I218-L220 HydrophobicContact CD1-CG 4.12Å; I218-L220 HydrophobicContact CG1-CB 4.07Å; I218-L220 HydrophobicContact CG1-CD1 4.04Å; I218-L220 HydrophobicContact CG1-CG 3.87Å; I218-L220 PolarHBondContact O-N 3.41Å
219G97.2Very high96.5Very high65 Ų6558.3 Ų58.367%0.6733%0.33SS*.THydrogen-bonded Turntrans65.231.5177.500000114C215 S216 F217C215-G219 PolarHBondContact O-N 2.94Å; S216-G219 PolarHBondContact O-N 2.74Å; F217-G219 VanDerWaalsContact C-N 3.34Å
220L97.5Very high96.4Very high51 Ų5154.3 Ų54.327%0.26732%0.315SS..  trans-103.2151.2174.3-68-176.6000110.9L65 Y66 C215 I218L65-L220 HydrophobicContact CB-CD1 4.09Å; Y66-L220 HydrophobicContact CD1-CD1 4.06Å; Y66-L220 HydrophobicContact CD2-CD1 4.32Å; Y66-L220 HydrophobicContact CE1-CD1 3.86Å; Y66-L220 HydrophobicContact CE1-CD2 4.3Å; Y66-L220 HydrophobicContact CE1-CG 4.34Å; Y66-L220 HydrophobicContact CE2-CD1 4.14Å; Y66-L220 HydrophobicContact CG-CD1 4.27Å; C215-L220 WeakPolarHBondContact CB-O 3.4Å; C215-L220 PolarHBondContact O-N 2.88Å; I218-L220 VanDerWaalsContact C-N 3.32Å; I218-L220 HydrophobicContact CD1-CB 4.41Å; I218-L220 HydrophobicContact CD1-CD1 3.71Å; I218-L220 HydrophobicContact CD1-CG 4.12Å; I218-L220 HydrophobicContact CG1-CB 4.07Å; I218-L220 HydrophobicContact CG1-CD1 4.04Å; I218-L220 HydrophobicContact CG1-CG 3.87Å; I218-L220 PolarHBondContact O-N 3.41Å
221S96.4Very high96.3Very high122 Ų12258.6 Ų58.685%0.85333%0.33SS*.  trans-136.371.2179.1-64.30000109.9
222P95.6Very high96.1Very high22 Ų2261.7 Ų61.714%0.14335%0.35CS..  trans-65.1149.6179.827.9-34.6000111.5L65 E226 K227L65-P222 HydrophobicContact CD2-CG 3.96Å; P222-E226 WeakPolarHBondContact CA-OE2 3.48Å; P222-E226 HydrophobicContact CB-CB 3.79Å; P222-E226 WeakPolarHBondContact CB-OE2 3.38Å; P222-K227 HydrophobicContact CB-CG 4.3Å; P222-K227 HydrophobicContact CG-CG 3.84Å
223S95.6Very high95.9Very high46 Ų4658.4 Ų58.432%0.32234%0.342SS..  trans-64.3166.8173.688.70000111.8E225 E226 K227S223-E225 VanDerWaalsContact C-N 3.27Å; S223-E225 VanDerWaalsContact CB-OE2 3.29Å; S223-E225 WeakPolarHBondContact CB-OE2 3.34Å; S223-E225 PolarHBondContact O-N 3.49Å; S223-E225 PolarHBondContact OG-N 3.47Å; S223-E225 PolarHBondContact OG-OE2 3.38Å; S223-E226 PolarHBondContact N-OE2 3.11Å; S223-E226 PolarHBondContact O-N 3.3Å; S223-E226 PolarHBondContact OG-N 2.89Å; S223-K227 WeakPolarHBondContact O-CG 3.49Å; S223-K227 PolarHBondContact O-N 2.87Å
224A94.4Very high95.9Very high68 Ų6854.6 Ų54.656%0.56233%0.325SS*.Hα-helixtrans-60.1-40176.500000111.6K227 E228A224-K227 PolarHBondContact O-N 3.07Å; A224-E228 PolarHBondContact O-N 2.81Å
225E93.5Very high95.8Very high142 Ų14259.9 Ų59.966%0.66435%0.35SS*.Hα-helixtrans-65.2-42.1176.7-55.975.4-162.500111.4S223 E228 M229S223-E225 VanDerWaalsContact C-N 3.27Å; S223-E225 VanDerWaalsContact CB-OE2 3.29Å; S223-E225 WeakPolarHBondContact CB-OE2 3.34Å; S223-E225 PolarHBondContact O-N 3.49Å; S223-E225 PolarHBondContact OG-N 3.47Å; S223-E225 PolarHBondContact OG-OE2 3.38Å; E225-E228 PolarHBondContact O-N 3.1Å; E225-M229 WeakPolarHBondContact O-CB 3.38Å; E225-M229 PolarHBondContact O-N 2.82Å
226E93.6Very high95.8Very high44 Ų4462 Ų6221%0.20636%0.359CS..Hα-helixtrans-63-44.6175.9-71.8167171.600110.7K69 P222 S223 E228 M229 I230K69-E226 WeakPolarHBondContact CD-OE1 3.22Å; K69-E226 IonicContact NZ-OE1 4Å; K69-E226 PolarHBondContact NZ-OE1 3.38Å; P222-E226 WeakPolarHBondContact CA-OE2 3.48Å; P222-E226 HydrophobicContact CB-CB 3.79Å; P222-E226 WeakPolarHBondContact CB-OE2 3.38Å; S223-E226 PolarHBondContact N-OE2 3.11Å; S223-E226 PolarHBondContact O-N 3.3Å; S223-E226 PolarHBondContact OG-N 2.89Å; E226-E228 PolarHBondContact O-N 3.24Å; E226-M229 PolarHBondContact O-N 3.24Å; E226-I230 VanDerWaalsContact O-CD1 3.3Å; E226-I230 WeakPolarHBondContact O-CD1 3.39Å; E226-I230 WeakPolarHBondContact O-CG1 3.31Å; E226-I230 PolarHBondContact O-N 3.4Å
227K94.2Very high95.7Very high56 Ų5662 Ų6224%0.24335%0.35CS..Hα-helixtrans-58.8-45.9175-73.2-179.4178.3-1740111.9E212 P222 S223 A224 I230 R231E212-K227 IonicContact OE1-NZ 2.8Å; E212-K227 PolarHBondContact OE1-NZ 3.46Å; P222-K227 HydrophobicContact CB-CG 4.3Å; P222-K227 HydrophobicContact CG-CG 3.84Å; S223-K227 WeakPolarHBondContact O-CG 3.49Å; S223-K227 PolarHBondContact O-N 2.87Å; A224-K227 PolarHBondContact O-N 3.07Å; K227-I230 PolarHBondContact O-N 2.97Å; K227-R231 WeakPolarHBondContact O-CB 3.35Å; K227-R231 VanDerWaalsContact O-CG 3.27Å; K227-R231 WeakPolarHBondContact O-CG 3.18Å; K227-R231 PolarHBondContact O-N 2.91Å
228E94.1Very high95.7Very high92 Ų9262.3 Ų62.343%0.4335%0.354SS..Hα-helixtrans-69-36.5-179.9-73-50.2145.100113.4A224 E225 E226 I230 R231 T232A224-E228 PolarHBondContact O-N 2.81Å; E225-E228 PolarHBondContact O-N 3.1Å; E226-E228 PolarHBondContact O-N 3.24Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-R231 VanDerWaalsContact CD-NH1 3.35Å; E228-R231 PolarHBondContact O-N 3.33Å; E228-R231 IonicContact OE1-CZ 3.03Å; E228-R231 IonicContact OE1-NH1 2.65Å; E228-R231 PolarHBondContact OE1-NH1 2.96Å; E228-R231 IonicContact OE2-CZ 3.59Å; E228-R231 IonicContact OE2-NH1 3.49Å; E228-R231 PolarHBondContact OE2-NH1 3.47Å; E228-T232 WeakPolarHBondContact O-CB 3.33Å; E228-T232 PolarHBondContact O-N 3.07Å; E228-T232 PolarHBondContact O-OG1 3.04Å
229M93.9Very high95.7Very high89 Ų8962.3 Ų62.344%0.43835%0.354SS..Hα-helixtrans-60-46.1171.3177.7-175.254.700110.9E225 E226 G233E225-M229 WeakPolarHBondContact O-CB 3.38Å; E225-M229 PolarHBondContact O-N 2.82Å; E226-M229 PolarHBondContact O-N 3.24Å; M229-G233 PolarHBondContact O-N 3.47Å
230I96.1Very high95.7Very high2 Ų263.3 Ų63.31%0.0134%0.34CS..Hα-helixtrans-62.3-53.8177.8-65157.4000109.9L64 L65 I211 E226 K227 E228 T232 G233 V234L64-I230 HydrophobicContact CB-CG1 3.89Å; L64-I230 HydrophobicContact CB-CG2 4.41Å; L64-I230 HydrophobicContact CD1-CG2 4.37Å; L65-I230 HydrophobicContact CD2-CD1 3.44Å; L65-I230 VanDerWaalsContact CD2-CD1 3.44Å; L65-I230 HydrophobicContact CG-CD1 3.88Å; I211-I230 HydrophobicContact CD1-CG2 3.84Å; E226-I230 VanDerWaalsContact O-CD1 3.3Å; E226-I230 WeakPolarHBondContact O-CD1 3.39Å; E226-I230 WeakPolarHBondContact O-CG1 3.31Å; E226-I230 PolarHBondContact O-N 3.4Å; K227-I230 PolarHBondContact O-N 2.97Å; E228-I230 VanDerWaalsContact C-N 3.34Å; I230-T232 VanDerWaalsContact C-N 3.27Å; I230-T232 PolarHBondContact O-N 3.08Å; I230-G233 PolarHBondContact O-N 3.27Å; I230-G233 VanDerWaalsContact O-N 3.07Å; I230-V234 HydrophobicContact CG2-CG1 4.23Å; I230-V234 WeakPolarHBondContact O-CG1 3.43Å; I230-V234 VanDerWaalsContact O-CG2 3.3Å; I230-V234 WeakPolarHBondContact O-CG2 3.21Å; I230-V234 PolarHBondContact O-N 3.08Å
231R95.6Very high95.7Very high95 Ų9568.5 Ų68.536%0.35836%0.361SS..Hα-helixtrans-52.1-46.9-180-74.7177.481.4-137.63.6111.3I211 K227 E228 Q235I211-R231 HydrophobicContact CD1-CG 3.75Å; K227-R231 WeakPolarHBondContact O-CB 3.35Å; K227-R231 VanDerWaalsContact O-CG 3.27Å; K227-R231 WeakPolarHBondContact O-CG 3.18Å; K227-R231 PolarHBondContact O-N 2.91Å; E228-R231 VanDerWaalsContact CD-NH1 3.35Å; E228-R231 PolarHBondContact O-N 3.33Å; E228-R231 IonicContact OE1-CZ 3.03Å; E228-R231 IonicContact OE1-NH1 2.65Å; E228-R231 PolarHBondContact OE1-NH1 2.96Å; E228-R231 IonicContact OE2-CZ 3.59Å; E228-R231 IonicContact OE2-NH1 3.49Å; E228-R231 PolarHBondContact OE2-NH1 3.47Å; R231-Q235 WeakPolarHBondContact O-CG 3.44Å; R231-Q235 PolarHBondContact O-N 3.39Å
232T94.6Very high95.6Very high69 Ų6965 Ų6542%0.42333%0.332SS..Hα-helixtrans-63.7-50.3177-57.70000111.3E228 I230 V234 Q235 N238E228-T232 WeakPolarHBondContact O-CB 3.33Å; E228-T232 PolarHBondContact O-N 3.07Å; E228-T232 PolarHBondContact O-OG1 3.04Å; I230-T232 VanDerWaalsContact C-N 3.27Å; I230-T232 PolarHBondContact O-N 3.08Å; T232-V234 PolarHBondContact O-N 2.77Å; T232-Q235 PolarHBondContact O-N 3.07Å; T232-N238 PolarHBondContact O-ND2 3.03Å
233G93.9Very high95.6Very high27 Ų2770.5 Ų70.528%0.27835%0.354SS..Hα-helixtrans-62.8-27.6-176.500000114.3M229 I230 M239M229-G233 PolarHBondContact O-N 3.47Å; I230-G233 PolarHBondContact O-N 3.27Å; I230-G233 VanDerWaalsContact O-N 3.07Å; G233-M239 WeakPolarHBondContact O-CG 3.49Å
234V97Very high95.7Very high0 Ų069.7 Ų69.70%035%0.346CS..THydrogen-bonded Turntrans-96.92.4-178.4-53.10000113.7W57 Q60 I61 L64 T207 I211 I230 T232 M239W57-V234 PolarHBondContact NE1-O 2.98Å; Q60-V234 HydrophobicContact CB-CG1 4.47Å; Q60-V234 HydrophobicContact CG-CG1 4.01Å; I61-V234 HydrophobicContact CD1-CG2 4.45Å; I61-V234 HydrophobicContact CG1-CB 3.98Å; I61-V234 HydrophobicContact CG1-CG1 3.65Å; I61-V234 HydrophobicContact CG1-CG2 4Å; L64-V234 HydrophobicContact CD1-CG1 3.53Å; T207-V234 HydrophobicContact CG2-CG2 3.98Å; I211-V234 HydrophobicContact CD1-CG2 4.46Å; I230-V234 HydrophobicContact CG2-CG1 4.23Å; I230-V234 WeakPolarHBondContact O-CG1 3.43Å; I230-V234 VanDerWaalsContact O-CG2 3.3Å; I230-V234 WeakPolarHBondContact O-CG2 3.21Å; I230-V234 PolarHBondContact O-N 3.08Å; T232-V234 PolarHBondContact O-N 2.77Å; V234-M239 HydrophobicContact CB-SD 4.31Å
235Q97Very high95.7Very high111 Ų11166.5 Ų66.552%0.51932%0.319SS..SBendtrans-59.9141.2169.3-72.7-178.8-700110.4R231 T232 D237 N238 M239R231-Q235 WeakPolarHBondContact O-CG 3.44Å; R231-Q235 PolarHBondContact O-N 3.39Å; T232-Q235 PolarHBondContact O-N 3.07Å; Q235-D237 VanDerWaalsContact C-N 3.31Å; Q235-D237 PolarHBondContact O-N 3.14Å; Q235-N238 HydrophobicContact CB-CB 4.44Å; Q235-N238 PolarHBondContact O-N 3.47Å; Q235-M239 PolarHBondContact O-N 2.93Å
236F97.5Very high95.9Very high52 Ų5260.6 Ų60.623%0.22829%0.292CS..Hα-helixtrans-52.5-47.2-175.7176.5-100.3000112.9N238 M239 K240 M261 K263 G264F236-N238 VanDerWaalsContact C-N 3.3Å; F236-N238 PolarHBondContact O-N 2.89Å; F236-M239 PolarHBondContact O-N 3.37Å; F236-K240 HydrophobicContact CE1-CD 3.87Å; F236-K240 HydrophobicContact CZ-CD 4.16Å; F236-K240 WeakPolarHBondContact O-CB 3.49Å; F236-K240 PolarHBondContact O-N 3.14Å; F236-M261 HydrophobicContact CE2-CB 4.01Å; F236-M261 HydrophobicContact CE2-SD 4.27Å; F236-M261 HydrophobicContact CZ-CB 4.14Å; F236-M261 WeakPolarHBondContact CZ-O 3.41Å; F236-K263 VanDerWaalsContact CZ-C 3.49Å; F236-G264 VanDerWaalsContact CD2-CA 3.49Å; F236-G264 VanDerWaalsContact CE2-CA 3.5Å
237D97.3Very high96Very high96 Ų9659.4 Ų59.451%0.51329%0.286SS..Hα-helixtrans-66.7-31.5-178.4-75.2-26000113.1Q235 K241Q235-D237 VanDerWaalsContact C-N 3.31Å; Q235-D237 PolarHBondContact O-N 3.14Å; D237-K241 WeakPolarHBondContact O-CD 3.45Å; D237-K241 WeakPolarHBondContact O-CG 3.41Å; D237-K241 PolarHBondContact O-N 3.38Å
238N97.1Very high96Very high55 Ų5559.2 Ų59.229%0.29429%0.291SS..Hα-helixtrans-73.4-46.5175.9-69.4-19.6000110.4T232 Q235 F236 K240 K241 N242T232-N238 PolarHBondContact O-ND2 3.03Å; Q235-N238 HydrophobicContact CB-CB 4.44Å; Q235-N238 PolarHBondContact O-N 3.47Å; F236-N238 VanDerWaalsContact C-N 3.3Å; F236-N238 PolarHBondContact O-N 2.89Å; N238-K240 VanDerWaalsContact C-N 3.28Å; N238-K240 PolarHBondContact O-N 3.46Å; N238-K241 PolarHBondContact O-N 3.11Å; N238-N242 WeakPolarHBondContact O-CB 3.17Å; N238-N242 PolarHBondContact O-N 3.36Å
239M97.8Very high95.9Very high4 Ų457.6 Ų57.62%0.0229%0.288CS..Hα-helixtrans-62.4-35.2174.9-68.3-168.669.200112.5T56 W57 Q60 G233 V234 Q235 F236 K241 N242 A245 M261T56-M239 HydrophobicContact CG2-CE 4.02Å; W57-M239 HydrophobicContact CG-SD 4.4Å; Q60-M239 HydrophobicContact CB-CE 3.48Å; Q60-M239 VanDerWaalsContact CB-CE 3.48Å; Q60-M239 HydrophobicContact CB-SD 4.19Å; Q60-M239 HydrophobicContact CG-CE 3.82Å; Q60-M239 HydrophobicContact CG-SD 4.24Å; G233-M239 WeakPolarHBondContact O-CG 3.49Å; V234-M239 HydrophobicContact CB-SD 4.31Å; Q235-M239 PolarHBondContact O-N 2.93Å; F236-M239 PolarHBondContact O-N 3.37Å; M239-K241 VanDerWaalsContact C-N 3.33Å; M239-K241 PolarHBondContact O-N 3.13Å; M239-N242 PolarHBondContact O-N 3.48Å; M239-A245 HydrophobicContact CE-CB 3.93Å; M239-M261 HydrophobicContact CB-CE 4.06Å; M239-M261 HydrophobicContact CE-CE 3.93Å
240K97.6Very high95.7Very high87 Ų8754.1 Ų54.138%0.37827%0.271SS..Hα-helixtrans-62.9-37.2176.4-178.1170.6-178.6176.90112.7F236 N238 N246 M261F236-K240 HydrophobicContact CE1-CD 3.87Å; F236-K240 HydrophobicContact CZ-CD 4.16Å; F236-K240 WeakPolarHBondContact O-CB 3.49Å; F236-K240 PolarHBondContact O-N 3.14Å; N238-K240 VanDerWaalsContact C-N 3.28Å; N238-K240 PolarHBondContact O-N 3.46Å; K240-N246 WeakPolarHBondContact O-CB 3.49Å; K240-N246 PolarHBondContact O-ND2 3.4Å; K240-M261 HydrophobicContact CB-CB 3.88Å; K240-M261 HydrophobicContact CB-CG 4.36Å; K240-M261 HydrophobicContact CD-CB 4.37Å; K240-M261 HydrophobicContact CG-CB 3.85Å
241K96.4Very high95.2Very high160 Ų16058 Ų5870%0.69630%0.297SS*.Hα-helixtrans-79.5-24.9176-66.3167.3-170.7169.90112.4D237 N238 M239 K243D237-K241 WeakPolarHBondContact O-CD 3.45Å; D237-K241 WeakPolarHBondContact O-CG 3.41Å; D237-K241 PolarHBondContact O-N 3.38Å; N238-K241 PolarHBondContact O-N 3.11Å; M239-K241 VanDerWaalsContact C-N 3.33Å; M239-K241 PolarHBondContact O-N 3.13Å; K241-K243 PolarHBondContact O-N 2.91Å
242N95.5Very high94.9Very high47 Ų4754 Ų5425%0.25128%0.282SS..  trans-75.7107-178.9-175.1-1.9000112.1N238 M239 M244 A245 N246N238-N242 WeakPolarHBondContact O-CB 3.17Å; N238-N242 PolarHBondContact O-N 3.36Å; M239-N242 PolarHBondContact O-N 3.48Å; N242-M244 PolarHBondContact O-N 3.28Å; N242-M244 VanDerWaalsContact O-N 3.11Å; N242-M244 WeakPolarHBondContact OD1-CB 3.38Å; N242-M244 PolarHBondContact OD1-N 2.88Å; N242-A245 HydrophobicContact CB-CB 4.28Å; N242-A245 PolarHBondContact O-N 3.27Å; N242-N246 WeakPolarHBondContact O-CB 3.35Å; N242-N246 PolarHBondContact O-N 2.9Å; N242-N246 PolarHBondContact O-OD1 3.12Å
243K95.8Very high94.9Very high139 Ų13951.5 Ų51.560%0.60427%0.266SS*.THydrogen-bonded Turntrans-57.3-25.3176-65.6-174.5179.6179.20113.7K241 A245 N246K241-K243 PolarHBondContact O-N 2.91Å; K243-A245 VanDerWaalsContact C-N 3.29Å; K243-N246 WeakPolarHBondContact CA-OD1 3.14Å; K243-N246 PolarHBondContact O-OD1 3.15Å
244M96.4Very high94.9Very high29 Ų2953.2 Ų53.214%0.14327%0.269CS..THydrogen-bonded Turntrans-82.6-3.1177.7-59.5-58.4101.900113.2L75 P79 I80 R83 N242 T249L75-M244 WeakPolarHBondContact O-CB 3.3Å; L75-M244 WeakPolarHBondContact O-CG 3.35Å; P79-M244 CarbonylContact C-O 3.56Å; P79-M244 WeakPolarHBondContact CA-O 3.35Å; P79-M244 HydrophobicContact CB-SD 4.39Å; I80-M244 WeakPolarHBondContact CB-O 3.2Å; I80-M244 PolarHBondContact N-O 3.15Å; R83-M244 PolarHBondContact NH2-O 3.35Å; N242-M244 PolarHBondContact O-N 3.28Å; N242-M244 VanDerWaalsContact O-N 3.11Å; N242-M244 WeakPolarHBondContact OD1-CB 3.38Å; N242-M244 PolarHBondContact OD1-N 2.88Å; M244-T249 HydrophobicContact CE-CG2 4.16Å
245A95.9Very high94.8Very high0 Ų056.3 Ų56.30%028%0.283CS..THydrogen-bonded Turntrans-128.9-25.7177.700000113.6T56 M239 N242 K243 Y247 M261T56-A245 WeakPolarHBondContact CG2-O 3.29Å; M239-A245 HydrophobicContact CE-CB 3.93Å; N242-A245 HydrophobicContact CB-CB 4.28Å; N242-A245 PolarHBondContact O-N 3.27Å; K243-A245 VanDerWaalsContact C-N 3.29Å; A245-Y247 VanDerWaalsContact C-N 3.32Å; A245-Y247 WeakPolarHBondContact O-CD2 3.28Å; A245-Y247 PolarHBondContact O-N 2.87Å; A245-M261 WeakPolarHBondContact O-CE 3.49Å
246N96.4Very high94.8Very high18 Ų1860.7 Ų60.710%0.09630%0.3CS..SBendtrans-852.2-173.572.27.5000115.1K240 N242 K243 S248 F255 F260 M261K240-N246 WeakPolarHBondContact O-CB 3.49Å; K240-N246 PolarHBondContact O-ND2 3.4Å; N242-N246 WeakPolarHBondContact O-CB 3.35Å; N242-N246 PolarHBondContact O-N 2.9Å; N242-N246 PolarHBondContact O-OD1 3.12Å; K243-N246 WeakPolarHBondContact CA-OD1 3.14Å; K243-N246 PolarHBondContact O-OD1 3.15Å; N246-S248 PolarHBondContact O-N 3.45Å; N246-S248 VanDerWaalsContact OD1-CB 3.23Å; N246-S248 WeakPolarHBondContact OD1-CB 3.44Å; N246-S248 PolarHBondContact OD1-N 3.49Å; N246-S248 PolarHBondContact OD1-OG 3.35Å; N246-F255 WeakPolarHBondContact O-CE1 3.46Å; N246-F255 WeakPolarHBondContact O-CZ 3.39Å; N246-F260 WeakPolarHBondContact O-CB 3.33Å; N246-M261 HydrophobicContact CB-CG 3.89Å
247Y96.6Very high94.7Very high19 Ų1962 Ų628%0.07531%0.312CS..  trans64.610.3-178.6-71.8-100.1000116.1T56 I80 Y81 A245 T249 L250 M253 F255 F260T56-Y247 HydrophobicContact CG2-CE2 3.81Å; T56-Y247 WeakPolarHBondContact OG1-CE2 3.31Å; I80-Y247 HydrophobicContact CG2-CD2 4.38Å; I80-Y247 HydrophobicContact CG2-CE2 3.67Å; Y81-Y247 AromaticContact CD1-CD1 3.76Å; Y81-Y247 HydrophobicContact CD1-CD1 3.76Å; Y81-Y247 AromaticContact CD1-CE1 3.67Å; Y81-Y247 HydrophobicContact CD1-CE1 3.67Å; Y81-Y247 HydrophobicContact CE1-CD1 4.32Å; Y81-Y247 HydrophobicContact CG-CE1 4.28Å; A245-Y247 VanDerWaalsContact C-N 3.32Å; A245-Y247 WeakPolarHBondContact O-CD2 3.28Å; A245-Y247 PolarHBondContact O-N 2.87Å; Y247-T249 PolarHBondContact O-N 3.4Å; Y247-L250 HydrophobicContact CD1-CD1 3.53Å; Y247-L250 HydrophobicContact CD1-CG 4.16Å; Y247-L250 HydrophobicContact CE1-CD1 4.13Å; Y247-L250 PolarHBondContact O-N 3.39Å; Y247-M253 HydrophobicContact CD1-CE 4.17Å; Y247-M253 HydrophobicContact CD1-SD 4.43Å; Y247-M253 HydrophobicContact CG-SD 4.46Å; Y247-F255 WeakPolarHBondContact O-CE2 3.41Å; Y247-F255 WeakPolarHBondContact O-CZ 3.37Å; Y247-F260 AromaticContact CD2-CD1 3.56Å; Y247-F260 HydrophobicContact CD2-CD1 3.56Å; Y247-F260 HydrophobicContact CD2-CD2 4.14Å; Y247-F260 AromaticContact CD2-CE1 3.36Å; Y247-F260 HydrophobicContact CD2-CE1 3.36Å; Y247-F260 AromaticContact CD2-CE2 3.96Å; Y247-F260 HydrophobicContact CD2-CE2 3.96Å; Y247-F260 AromaticContact CD2-CG 3.96Å; Y247-F260 HydrophobicContact CD2-CG 3.96Å; Y247-F260 AromaticContact CD2-CZ 3.58Å; Y247-F260 HydrophobicContact CD2-CZ 3.58Å; Y247-F260 HydrophobicContact CE2-CD1 4.24Å; Y247-F260 AromaticContact CE2-CE1 3.56Å; Y247-F260 HydrophobicContact CE2-CE1 3.56Å; Y247-F260 HydrophobicContact CE2-CE2 4.13Å; Y247-F260 AromaticContact CE2-CZ 3.49Å; Y247-F260 HydrophobicContact CE2-CZ 3.49Å; Y247-F260 VanDerWaalsContact CE2-CZ 3.49Å; Y247-F260 HydrophobicContact CG-CD1 4.28Å; Y247-F260 HydrophobicContact CG-CD2 4.23Å; Y247-F260 HydrophobicContact CG-CE1 4.34Å; Y247-F260 HydrophobicContact CG-CE2 4.28Å; Y247-F260 HydrophobicContact CG-CG 4.23Å; Y247-F260 HydrophobicContact CG-CZ 4.34Å
248S94.3Very high94.7Very high52 Ų5257.9 Ų57.936%0.36429%0.291SS..THydrogen-bonded Turntrans-65.3-8.5-177.872.40000114.3N246N246-S248 PolarHBondContact O-N 3.45Å; N246-S248 VanDerWaalsContact OD1-CB 3.23Å; N246-S248 WeakPolarHBondContact OD1-CB 3.44Å; N246-S248 PolarHBondContact OD1-N 3.49Å; N246-S248 PolarHBondContact OD1-OG 3.35Å
249T91.7Very high94.8Very high58 Ų5857.8 Ų57.836%0.35629%0.293SS..THydrogen-bonded Turntrans-88.2-6.7175.857.20000113.2Y81 M244 Y247Y81-T249 PolarHBondContact OH-OG1 2.95Å; M244-T249 HydrophobicContact CE-CG2 4.16Å; Y247-T249 PolarHBondContact O-N 3.4Å
250L89.1Confident94.8Very high16 Ų1659.2 Ų59.28%0.08430%0.299CS..  trans-89.8116.8175.9-70.2-167.3000111.2F5 Y81 Y247 V252 M253F5-L250 HydrophobicContact CD1-CD2 4.44Å; F5-L250 HydrophobicContact CD2-CD2 3.64Å; F5-L250 HydrophobicContact CE1-CD2 4.06Å; F5-L250 HydrophobicContact CE2-CD2 3.16Å; F5-L250 HydrophobicContact CG-CD2 4.25Å; F5-L250 HydrophobicContact CZ-CD2 3.41Å; F5-L250 VanDerWaalsContact CZ-CD2 3.41Å; Y81-L250 HydrophobicContact CD1-CD1 4.32Å; Y81-L250 HydrophobicContact CD1-CD2 4.26Å; Y81-L250 HydrophobicContact CD1-CG 4.2Å; Y81-L250 HydrophobicContact CE1-CD1 4.27Å; Y81-L250 HydrophobicContact CE1-CD2 3.6Å; Y81-L250 HydrophobicContact CE1-CG 3.65Å; Y81-L250 HydrophobicContact CE2-CD2 3.96Å; Y81-L250 VanDerWaalsContact CZ-CD2 3.43Å; Y247-L250 HydrophobicContact CD1-CD1 3.53Å; Y247-L250 HydrophobicContact CD1-CG 4.16Å; Y247-L250 HydrophobicContact CE1-CD1 4.13Å; Y247-L250 PolarHBondContact O-N 3.39Å; L250-V252 VanDerWaalsContact C-N 3.25Å; L250-V252 HydrophobicContact CB-CG2 4.34Å; L250-V252 PolarHBondContact O-N 3.41Å; L250-M253 HydrophobicContact CD1-CE 3.96Å; L250-M253 HydrophobicContact CD1-SD 4.41Å; L250-M253 PolarHBondContact O-N 3Å
251P86.7Confident94.8Very high85 Ų8556 Ų5655%0.55229%0.286SS*.THydrogen-bonded Turntrans-73.5-17.2-178.130.5-35.7000113.3F5 M253F5-P251 HydrophobicContact CB-CG 3.39Å; F5-P251 HydrophobicContact CG-CG 4.41Å; P251-M253 PolarHBondContact O-N 2.99Å
252V88.9Confident94.9Very high9 Ų949.8 Ų49.86%0.05526%0.258CS..THydrogen-bonded Turntrans-74.4-9.1180-55.90000113.3M8 V10 N153 V154 L250M8-V252 HydrophobicContact CB-CG1 4.46Å; M8-V252 HydrophobicContact CG-CG1 4.45Å; M8-V252 HydrophobicContact SD-CG1 3.59Å; M8-V252 VanDerWaalsContact SD-CG1 3.59Å; V10-V252 HydrophobicContact CG1-CB 4.42Å; V10-V252 HydrophobicContact CG1-CG1 4.01Å; N153-V252 PolarHBondContact N-O 3.07Å; V154-V252 HydrophobicContact CG1-CB 3.78Å; V154-V252 HydrophobicContact CG1-CG1 4.23Å; V154-V252 HydrophobicContact CG1-CG2 3.83Å; L250-V252 VanDerWaalsContact C-N 3.25Å; L250-V252 HydrophobicContact CB-CG2 4.34Å; L250-V252 PolarHBondContact O-N 3.41Å
253M93.6Very high95Very high17 Ų1753 Ų538%0.08427%0.269CS..BIsolated β-bridgetrans-107.5119.1179.8-74.5-172-170.900110F148 M151 N152 Y247 L250 P251 F255 F260F148-M253 HydrophobicContact CE2-CE 3.73Å; F148-M253 HydrophobicContact CE2-SD 4.48Å; F148-M253 HydrophobicContact CZ-CE 4.17Å; M151-M253 HydrophobicContact CE-CB 3.59Å; M151-M253 HydrophobicContact CE-CG 3.96Å; M151-M253 HydrophobicContact CE-SD 3.97Å; M151-M253 CarbonylContact O-C 3.57Å; M151-M253 WeakPolarHBondContact O-CA 3.47Å; M151-M253 HydrophobicContact SD-CB 3.93Å; M151-M253 HydrophobicContact SD-CG 3.76Å; M151-M253 HydrophobicContact SD-SD 3.98Å; N152-M253 HydrophobicContact CB-CG 4.41Å; Y247-M253 HydrophobicContact CD1-CE 4.17Å; Y247-M253 HydrophobicContact CD1-SD 4.43Å; Y247-M253 HydrophobicContact CG-SD 4.46Å; L250-M253 HydrophobicContact CD1-CE 3.96Å; L250-M253 HydrophobicContact CD1-SD 4.41Å; L250-M253 PolarHBondContact O-N 3Å; P251-M253 PolarHBondContact O-N 2.99Å; M253-F255 HydrophobicContact CB-CD2 4.15Å; M253-F255 HydrophobicContact CB-CE2 3.62Å; M253-F255 HydrophobicContact CB-CZ 4.48Å; M253-F255 VanDerWaalsContact O-CD2 3.31Å; M253-F255 WeakPolarHBondContact O-CD2 3.26Å; M253-F255 PolarHBondContact O-N 3.12Å; M253-F260 HydrophobicContact CE-CD2 4.32Å; M253-F260 HydrophobicContact SD-CD2 4.01Å
254D94.6Very high95Very high64 Ų6447.3 Ų47.334%0.34225%0.251SS..  trans-87.894.9176.5-169.3-11.8000111.4M151 K256 V257 S258M151-D254 WeakPolarHBondContact CB-O 3.37Å; M151-D254 PolarHBondContact O-N 3.29Å; D254-K256 PolarHBondContact O-N 3.32Å; D254-K256 VanDerWaalsContact OD1-CB 3.24Å; D254-K256 WeakPolarHBondContact OD1-CB 3.33Å; D254-K256 PolarHBondContact OD1-N 3.01Å; D254-V257 HydrophobicContact CB-CB 4.45Å; D254-V257 HydrophobicContact CB-CG2 4.08Å; D254-V257 PolarHBondContact O-N 3.32Å; D254-V257 VanDerWaalsContact O-N 3.1Å; D254-S258 PolarHBondContact O-N 2.98Å
255F95.4Very high95Very high65 Ų6549.8 Ų49.829%0.28526%0.261SS..THydrogen-bonded Turntrans-66.9-12.1178.8-75.8-104000113.9M151 N246 Y247 M253 P259 F260M151-F255 HydrophobicContact CE-CD2 4.34Å; M151-F255 HydrophobicContact CE-CE2 4.16Å; M151-F255 HydrophobicContact CE-CZ 4.23Å; N246-F255 WeakPolarHBondContact O-CE1 3.46Å; N246-F255 WeakPolarHBondContact O-CZ 3.39Å; Y247-F255 WeakPolarHBondContact O-CE2 3.41Å; Y247-F255 WeakPolarHBondContact O-CZ 3.37Å; M253-F255 HydrophobicContact CB-CD2 4.15Å; M253-F255 HydrophobicContact CB-CE2 3.62Å; M253-F255 HydrophobicContact CB-CZ 4.48Å; M253-F255 VanDerWaalsContact O-CD2 3.31Å; M253-F255 WeakPolarHBondContact O-CD2 3.26Å; M253-F255 PolarHBondContact O-N 3.12Å; F255-P259 HydrophobicContact CD1-CB 4.24Å; F255-F260 HydrophobicContact CE1-CB 3.91Å; F255-F260 HydrophobicContact CZ-CB 3.97Å
256K95.3Very high95.1Very high203 Ų20350.8 Ų50.888%0.88327%0.267SS*.THydrogen-bonded Turntrans-76.1-29.8172.4-59.1177.4-179.6175.20111.6D254D254-K256 PolarHBondContact O-N 3.32Å; D254-K256 VanDerWaalsContact OD1-CB 3.24Å; D254-K256 WeakPolarHBondContact OD1-CB 3.33Å; D254-K256 PolarHBondContact OD1-N 3.01Å
257V96.8Very high95.2Very high80 Ų8050.6 Ų50.649%0.48527%0.269SS..THydrogen-bonded Turntrans-76-51.8175.7175.20000110.5C150 M151 D254C150-V257 HydrophobicContact CB-CG1 3.73Å; M151-V257 HydrophobicContact CB-CB 4.27Å; M151-V257 HydrophobicContact CB-CG1 4.39Å; D254-V257 HydrophobicContact CB-CB 4.45Å; D254-V257 HydrophobicContact CB-CG2 4.08Å; D254-V257 PolarHBondContact O-N 3.32Å; D254-V257 VanDerWaalsContact O-N 3.1Å
258S97.7Very high95.3Very high8 Ų849.9 Ų49.96%0.05627%0.267CS..  trans-158.2136.6171.4176.50000109.9M151 D254M151-S258 WeakPolarHBondContact CB-O 3.4Å; M151-S258 WeakPolarHBondContact CE-O 3.33Å; D254-S258 PolarHBondContact O-N 2.98Å
259P97.4Very high95.5Very high53 Ų5348.7 Ų48.734%0.34425%0.254SS..  trans-68.2147.3170.328.1-33.1000111.1F255F255-P259 HydrophobicContact CD1-CB 4.24Å
260F98Very high95.8Very high34 Ų3451.1 Ų51.115%0.14926%0.26CS..SBendtrans-61.7-47.3173.6-178.8-89.7000111.5T56 F148 M151 N246 Y247 M253 F255 R262T56-F260 HydrophobicContact CG2-CE1 4.29Å; T56-F260 WeakPolarHBondContact OG1-CE1 3.41Å; T56-F260 WeakPolarHBondContact OG1-CZ 3.07Å; F148-F260 HydrophobicContact CD2-CD2 4.29Å; F148-F260 HydrophobicContact CD2-CE2 4.42Å; F148-F260 AromaticContact CE2-CD2 3.98Å; F148-F260 HydrophobicContact CE2-CD2 3.98Å; F148-F260 AromaticContact CE2-CE2 3.89Å; F148-F260 HydrophobicContact CE2-CE2 3.89Å; M151-F260 HydrophobicContact CE-CB 4.21Å; N246-F260 WeakPolarHBondContact O-CB 3.33Å; Y247-F260 AromaticContact CD2-CD1 3.56Å; Y247-F260 HydrophobicContact CD2-CD1 3.56Å; Y247-F260 HydrophobicContact CD2-CD2 4.14Å; Y247-F260 AromaticContact CD2-CE1 3.36Å; Y247-F260 HydrophobicContact CD2-CE1 3.36Å; Y247-F260 AromaticContact CD2-CE2 3.96Å; Y247-F260 HydrophobicContact CD2-CE2 3.96Å; Y247-F260 AromaticContact CD2-CG 3.96Å; Y247-F260 HydrophobicContact CD2-CG 3.96Å; Y247-F260 AromaticContact CD2-CZ 3.58Å; Y247-F260 HydrophobicContact CD2-CZ 3.58Å; Y247-F260 HydrophobicContact CE2-CD1 4.24Å; Y247-F260 AromaticContact CE2-CE1 3.56Å; Y247-F260 HydrophobicContact CE2-CE1 3.56Å; Y247-F260 HydrophobicContact CE2-CE2 4.13Å; Y247-F260 AromaticContact CE2-CZ 3.49Å; Y247-F260 HydrophobicContact CE2-CZ 3.49Å; Y247-F260 VanDerWaalsContact CE2-CZ 3.49Å; Y247-F260 HydrophobicContact CG-CD1 4.28Å; Y247-F260 HydrophobicContact CG-CD2 4.23Å; Y247-F260 HydrophobicContact CG-CE1 4.34Å; Y247-F260 HydrophobicContact CG-CE2 4.28Å; Y247-F260 HydrophobicContact CG-CG 4.23Å; Y247-F260 HydrophobicContact CG-CZ 4.34Å; M253-F260 HydrophobicContact CE-CD2 4.32Å; M253-F260 HydrophobicContact SD-CD2 4.01Å; F255-F260 HydrophobicContact CE1-CB 3.91Å; F255-F260 HydrophobicContact CZ-CB 3.97Å; F260-R262 VanDerWaalsContact C-N 3.3Å; F260-R262 PolarHBondContact O-N 2.79Å
261M97.9Very high96.2Very high20 Ų2055.8 Ų55.810%0.09929%0.285CS..SBendtrans-81.276.8170.5-65.3-65.3-175.700109.6T56 F236 M239 K240 A245 N246T56-M261 HydrophobicContact CG2-CE 3.8Å; F236-M261 HydrophobicContact CE2-CB 4.01Å; F236-M261 HydrophobicContact CE2-SD 4.27Å; F236-M261 HydrophobicContact CZ-CB 4.14Å; F236-M261 WeakPolarHBondContact CZ-O 3.41Å; M239-M261 HydrophobicContact CB-CE 4.06Å; M239-M261 HydrophobicContact CE-CE 3.93Å; K240-M261 HydrophobicContact CB-CB 3.88Å; K240-M261 HydrophobicContact CB-CG 4.36Å; K240-M261 HydrophobicContact CD-CB 4.37Å; K240-M261 HydrophobicContact CG-CB 3.85Å; A245-M261 WeakPolarHBondContact O-CE 3.49Å; N246-M261 HydrophobicContact CB-CG 3.89Å
262R98.1Very high96.8Very high29 Ų2954.9 Ų54.911%0.10927%0.271CS..  trans-74.6-70.2-169.4-162.7-174.362.683.66.1114.3F260 D268 Y272F260-R262 VanDerWaalsContact C-N 3.3Å; F260-R262 PolarHBondContact O-N 2.79Å; R262-D268 IonicContact CZ-OD2 3.17Å; R262-D268 IonicContact NH1-OD2 2.73Å; R262-D268 PolarHBondContact NH1-OD2 3.24Å; R262-D268 IonicContact NH2-OD2 2.69Å; R262-D268 PolarHBondContact NH2-OD2 3.43Å; R262-Y272 PolarHBondContact NH1-OH 3.38Å
263K97.4Very high97.2Very high114 Ų11455.2 Ų55.250%0.49627%0.272SS..  trans-131.7-31.9-176.4-64.4-63.8-175176.90115.2F236 K265F236-K263 VanDerWaalsContact CZ-C 3.49Å; K263-K265 HydrophobicContact CB-CG 4.21Å; K263-K265 PolarHBondContact O-N 3.06Å
264G95.9Very high97.5Very high20 Ų2057.9 Ų57.921%0.20629%0.289CS..  trans58.838.817400000115.4Y200 I204 F236Y200-G264 VanDerWaalsContact OH-C 3.25Å; Y200-G264 WeakPolarHBondContact OH-CA 3.31Å; I204-G264 WeakPolarHBondContact CD1-O 3.17Å; F236-G264 VanDerWaalsContact CD2-CA 3.49Å; F236-G264 VanDerWaalsContact CE2-CA 3.5Å
265K96.6Very high97.7Very high82 Ų8260 Ų6036%0.35730%0.304SS..  trans-136.9167-177.369.3178-174.3174.40111.9R136 K263 D268R136-K265 PolarHBondContact NH2-O 3.02Å; K263-K265 HydrophobicContact CB-CG 4.21Å; K263-K265 PolarHBondContact O-N 3.06Å; K265-D268 HydrophobicContact CD-CB 4.45Å; K265-D268 WeakPolarHBondContact CE-OD1 3.45Å; K265-D268 HydrophobicContact CG-CB 4.21Å; K265-D268 IonicContact NZ-OD1 2.84Å; K265-D268 PolarHBondContact NZ-OD1 3.01Å
266V98.6Very high97.8Very high21 Ų2160 Ų6013%0.12732%0.316CS..SBendtrans-95.2141.3168.5-175.50000109.1D140 Y200 E201 I204 L300D140-V266 WeakPolarHBondContact OD2-CA 3.46Å; Y200-V266 HydrophobicContact CD1-CG2 4.27Å; Y200-V266 HydrophobicContact CE1-CG2 4.29Å; E201-V266 HydrophobicContact CB-CG2 4.29Å; E201-V266 HydrophobicContact CG-CG1 4.06Å; E201-V266 HydrophobicContact CG-CG2 3.99Å; I204-V266 HydrophobicContact CB-CG2 4.11Å; I204-V266 HydrophobicContact CG1-CG2 4.09Å; I204-V266 HydrophobicContact CG2-CG2 4.25Å; V266-L300 HydrophobicContact CB-CD1 4.07Å; V266-L300 HydrophobicContact CB-CG 3.93Å; V266-L300 HydrophobicContact CG1-CG 4.19Å; V266-L300 HydrophobicContact CG2-CD1 3.75Å; V266-L300 HydrophobicContact CG2-CG 3.96Å
267G98.4Very high98Very high14 Ų1450.9 Ų50.914%0.14428%0.276CS..SBendtrans90.110.8174.700000115.5D140 W269 C298D140-G267 PolarHBondContact OD1-N 2.89Å; D140-G267 PolarHBondContact OD2-N 2.83Å; G267-W269 PolarHBondContact O-N 2.69Å; G267-C298 WeakPolarHBondContact CA-O 3.11Å
268D98.4Very high98.1Very high4 Ų448.6 Ų48.62%0.02126%0.261CS..G310 helixtrans-69-23176.9-160.648.1000112.5D140 R262 K265 K270 N271 Y272D140-D268 PolarHBondContact OD1-N 2.95Å; R262-D268 IonicContact CZ-OD2 3.17Å; R262-D268 IonicContact NH1-OD2 2.73Å; R262-D268 PolarHBondContact NH1-OD2 3.24Å; R262-D268 IonicContact NH2-OD2 2.69Å; R262-D268 PolarHBondContact NH2-OD2 3.43Å; K265-D268 HydrophobicContact CD-CB 4.45Å; K265-D268 WeakPolarHBondContact CE-OD1 3.45Å; K265-D268 HydrophobicContact CG-CB 4.21Å; K265-D268 IonicContact NZ-OD1 2.84Å; K265-D268 PolarHBondContact NZ-OD1 3.01Å; D268-K270 PolarHBondContact O-N 3.38Å; D268-K270 VanDerWaalsContact O-N 3.11Å; D268-N271 WeakPolarHBondContact O-CB 3.45Å; D268-N271 PolarHBondContact O-N 2.73Å; D268-N271 PolarHBondContact O-ND2 3.06Å; D268-N271 PolarHBondContact OD1-ND2 2.89Å; D268-Y272 WeakPolarHBondContact O-CD2 3.38Å
269W98.6Very high98.1Very high26 Ų2654.3 Ų54.310%0.09829%0.287CS..G310 helixtrans-52.9-29.4177.568.5-94000114.3K139 D140 V143 G267 N271 Y272 F273 N278 C298K139-W269 HydrophobicContact CB-CB 3.61Å; K139-W269 HydrophobicContact CB-CD2 3.75Å; K139-W269 HydrophobicContact CB-CE3 4.26Å; K139-W269 HydrophobicContact CB-CG 3.44Å; K139-W269 VanDerWaalsContact CB-CG 3.44Å; K139-W269 HydrophobicContact CD-CD2 3.62Å; K139-W269 HydrophobicContact CD-CE3 3.65Å; K139-W269 HydrophobicContact CD-CG 4.25Å; K139-W269 HydrophobicContact CD-CH2 3.96Å; K139-W269 HydrophobicContact CD-CZ2 3.93Å; K139-W269 HydrophobicContact CD-CZ3 3.83Å; K139-W269 HydrophobicContact CG-CD2 4.32Å; K139-W269 HydrophobicContact CG-CG 4.48Å; D140-W269 PolarHBondContact OD1-N 3.43Å; V143-W269 HydrophobicContact CG2-CB 4.15Å; G267-W269 PolarHBondContact O-N 2.69Å; W269-N271 PolarHBondContact O-N 3.38Å; W269-N271 VanDerWaalsContact O-N 3.12Å; W269-Y272 PolarHBondContact O-N 3.18Å; W269-F273 HydrophobicContact CB-CD2 4.06Å; W269-F273 HydrophobicContact CB-CE2 4.11Å; W269-F273 HydrophobicContact CE3-CB 3.97Å; W269-F273 HydrophobicContact CE3-CD1 4.32Å; W269-F273 HydrophobicContact CE3-CD2 4.15Å; W269-F273 AromaticContact CE3-CG 3.9Å; W269-F273 HydrophobicContact CE3-CG 3.9Å; W269-F273 HydrophobicContact CZ3-CB 4.28Å; W269-F273 HydrophobicContact CZ3-CG 4.49Å; W269-F273 WeakPolarHBondContact O-CD2 3.4Å; W269-F273 PolarHBondContact O-N 3.5Å; W269-N278 VanDerWaalsContact CH2-OD1 3.32Å; W269-N278 WeakPolarHBondContact CH2-OD1 3.45Å; W269-N278 HydrophobicContact CZ3-CB 4.49Å; W269-N278 WeakPolarHBondContact CZ3-OD1 3.48Å; W269-C298 HydrophobicContact CZ2-CB 4.08Å; W269-C298 PolarHBondContact NE1-O 3.09Å
270K98.4Very high98.2Very high110 Ų11055.9 Ų55.948%0.47829%0.29SS..G310 helixtrans-60.7-20.6176.9-63.5-177.7-179.3-179.80113.5D268 Y272 E299D268-K270 PolarHBondContact O-N 3.38Å; D268-K270 VanDerWaalsContact O-N 3.11Å; K270-Y272 VanDerWaalsContact C-N 3.3Å; K270-E299 IonicContact NZ-OE2 3.1Å; K270-E299 PolarHBondContact NZ-OE2 2.95Å
271N98.3Very high98.2Very high114 Ų11454.4 Ų54.461%0.6128%0.283SS*.G310 helixtrans-84.2-3.3177-61.2-53.3000113.6D268 W269D268-N271 WeakPolarHBondContact O-CB 3.45Å; D268-N271 PolarHBondContact O-N 2.73Å; D268-N271 PolarHBondContact O-ND2 3.06Å; D268-N271 PolarHBondContact OD1-ND2 2.89Å; W269-N271 PolarHBondContact O-N 3.38Å; W269-N271 VanDerWaalsContact O-N 3.12Å
272Y98.1Very high98.3Very high65 Ų6556.5 Ų56.526%0.25530%0.295SS..THydrogen-bonded Turntrans-128-41.7-171.4-65.5-95.6000112.5V143 H147 W161 R262 D268 W269 K270 T274V143-Y272 HydrophobicContact CB-CD2 4.38Å; V143-Y272 HydrophobicContact CG1-CD1 4.15Å; V143-Y272 HydrophobicContact CG1-CD2 3.49Å; V143-Y272 VanDerWaalsContact CG1-CD2 3.49Å; V143-Y272 HydrophobicContact CG1-CE1 4.14Å; V143-Y272 HydrophobicContact CG1-CE2 3.5Å; V143-Y272 VanDerWaalsContact CG1-CE2 3.5Å; V143-Y272 HydrophobicContact CG1-CG 3.83Å; V143-Y272 HydrophobicContact CG2-CD2 3.92Å; V143-Y272 HydrophobicContact CG2-CG 3.84Å; H147-Y272 AromaticContact CE1-CE1 3.91Å; H147-Y272 AromaticContact NE2-CE1 3.1Å; H147-Y272 WeakPolarHBondContact NE2-CE1 3.43Å; H147-Y272 AromaticContact NE2-CZ 3.22Å; H147-Y272 PolarHBondContact NE2-OH 3.29Å; W161-Y272 PolarHBondContact NE1-O 3.37Å; R262-Y272 PolarHBondContact NH1-OH 3.38Å; D268-Y272 WeakPolarHBondContact O-CD2 3.38Å; W269-Y272 PolarHBondContact O-N 3.18Å; K270-Y272 VanDerWaalsContact C-N 3.3Å; Y272-T274 PolarHBondContact O-N 2.85Å
273F98.6Very high98.3Very high17 Ų1758.2 Ų58.28%0.07532%0.315CS..  trans-70.5127.3179-79.2-124000109.6K139 M142 V143 W161 F165 W269 Q277 N278 F281K139-F273 HydrophobicContact CB-CE1 4.38Å; K139-F273 HydrophobicContact CB-CE2 4.23Å; K139-F273 HydrophobicContact CB-CZ 3.93Å; K139-F273 HydrophobicContact CD-CE1 4.37Å; K139-F273 HydrophobicContact CG-CE1 4.04Å; K139-F273 HydrophobicContact CG-CZ 4.04Å; M142-F273 HydrophobicContact CE-CZ 3.96Å; M142-F273 HydrophobicContact SD-CE1 4.47Å; M142-F273 HydrophobicContact SD-CE2 4.01Å; M142-F273 HydrophobicContact SD-CZ 3.55Å; M142-F273 VanDerWaalsContact SD-CZ 3.55Å; V143-F273 HydrophobicContact CG2-CD2 4.25Å; V143-F273 HydrophobicContact CG2-CE2 3.93Å; W161-F273 HydrophobicContact CH2-CD2 4.19Å; W161-F273 AromaticContact CH2-CE2 3.73Å; W161-F273 HydrophobicContact CH2-CE2 3.73Å; W161-F273 AromaticContact CZ2-CD2 3.65Å; W161-F273 HydrophobicContact CZ2-CD2 3.65Å; W161-F273 AromaticContact CZ2-CE2 3.58Å; W161-F273 HydrophobicContact CZ2-CE2 3.58Å; W161-F273 HydrophobicContact CZ2-CG 4.47Å; W161-F273 HydrophobicContact CZ2-CZ 4.37Å; F165-F273 HydrophobicContact CD2-CE1 4.15Å; F165-F273 HydrophobicContact CD2-CZ 4.26Å; F165-F273 HydrophobicContact CE2-CD1 4.01Å; F165-F273 AromaticContact CE2-CE1 3.55Å; F165-F273 HydrophobicContact CE2-CE1 3.55Å; F165-F273 HydrophobicContact CE2-CZ 4.09Å; W269-F273 HydrophobicContact CB-CD2 4.06Å; W269-F273 HydrophobicContact CB-CE2 4.11Å; W269-F273 HydrophobicContact CE3-CB 3.97Å; W269-F273 HydrophobicContact CE3-CD1 4.32Å; W269-F273 HydrophobicContact CE3-CD2 4.15Å; W269-F273 AromaticContact CE3-CG 3.9Å; W269-F273 HydrophobicContact CE3-CG 3.9Å; W269-F273 HydrophobicContact CZ3-CB 4.28Å; W269-F273 HydrophobicContact CZ3-CG 4.49Å; W269-F273 WeakPolarHBondContact O-CD2 3.4Å; W269-F273 PolarHBondContact O-N 3.5Å; F273-Q277 HydrophobicContact CD1-CB 4.37Å; F273-N278 HydrophobicContact CD1-CB 4.47Å; F273-F281 HydrophobicContact CE1-CB 4.13Å; F273-F281 HydrophobicContact CE1-CD2 4.34Å; F273-F281 HydrophobicContact CE1-CG 4.08Å
274T98.8Very high98.3Very high73 Ų7353.8 Ų53.845%0.44830%0.297SS..  trans-70162.3161.567.20000109.9Y272 A276 Q277 N278Y272-T274 PolarHBondContact O-N 2.85Å; T274-A276 VanDerWaalsContact C-N 3.28Å; T274-A276 PolarHBondContact O-N 3.03Å; T274-Q277 VanDerWaalsContact N-OE1 3.12Å; T274-Q277 PolarHBondContact O-N 3.23Å; T274-Q277 WeakPolarHBondContact OG1-CB 3.23Å; T274-Q277 WeakPolarHBondContact OG1-CG 3.39Å; T274-Q277 PolarHBondContact OG1-N 3.33Å; T274-Q277 VanDerWaalsContact OG1-N 3.15Å; T274-Q277 PolarHBondContact OG1-OE1 3.09Å; T274-N278 WeakPolarHBondContact O-CB 3.28Å; T274-N278 PolarHBondContact O-N 3.3Å
275V98.6Very high98.5Very high108 Ų10855.2 Ų55.266%0.65530%0.297SS*.Hα-helixtrans-56.9-44.8175.1176.70000110.9Q277 N278 E279V275-Q277 PolarHBondContact O-N 3.37Å; V275-N278 WeakPolarHBondContact O-CB 3.41Å; V275-N278 PolarHBondContact O-N 3Å; V275-N278 VanDerWaalsContact O-N 3.13Å; V275-E279 HydrophobicContact CG1-CG 4.48Å; V275-E279 WeakPolarHBondContact O-CG 3.45Å; V275-E279 PolarHBondContact O-N 3.15Å
276A98.7Very high98.5Very high65 Ų6559.6 Ų59.654%0.53732%0.316SS..Hα-helixtrans-61.5-45.3178.400000112.4T274 N278 E279 E280T274-A276 VanDerWaalsContact C-N 3.28Å; T274-A276 PolarHBondContact O-N 3.03Å; A276-N278 VanDerWaalsContact C-N 3.28Å; A276-N278 PolarHBondContact O-N 3.42Å; A276-E279 PolarHBondContact O-N 3.43Å; A276-E280 WeakPolarHBondContact O-CB 3.46Å; A276-E280 PolarHBondContact O-N 2.92Å
277Q98.8Very high98.5Very high12 Ų1266 Ų666%0.05634%0.338CS..Hα-helixtrans-61.7-37.8174.3-79.2173.4-30.900112N162 F165 F273 T274 V275 F281N162-Q277 PolarHBondContact OD1-NE2 3.06Å; F165-Q277 HydrophobicContact CD1-CG 4.23Å; F165-Q277 HydrophobicContact CD2-CB 4.32Å; F165-Q277 HydrophobicContact CD2-CG 4.3Å; F165-Q277 HydrophobicContact CE1-CB 4.29Å; F165-Q277 HydrophobicContact CE1-CG 4.02Å; F165-Q277 HydrophobicContact CE2-CB 3.77Å; F165-Q277 HydrophobicContact CE2-CG 4.12Å; F165-Q277 HydrophobicContact CG-CG 4.37Å; F165-Q277 HydrophobicContact CZ-CB 3.76Å; F165-Q277 HydrophobicContact CZ-CG 3.99Å; F165-Q277 VanDerWaalsContact CZ-O 3.28Å; F165-Q277 WeakPolarHBondContact CZ-O 3.37Å; F273-Q277 HydrophobicContact CD1-CB 4.37Å; T274-Q277 VanDerWaalsContact N-OE1 3.12Å; T274-Q277 PolarHBondContact O-N 3.23Å; T274-Q277 WeakPolarHBondContact OG1-CB 3.23Å; T274-Q277 WeakPolarHBondContact OG1-CG 3.39Å; T274-Q277 PolarHBondContact OG1-N 3.33Å; T274-Q277 VanDerWaalsContact OG1-N 3.15Å; T274-Q277 PolarHBondContact OG1-OE1 3.09Å; V275-Q277 PolarHBondContact O-N 3.37Å; Q277-F281 WeakPolarHBondContact O-CB 3.5Å; Q277-F281 PolarHBondContact O-N 3.31Å
278N98.8Very high98.4Very high32 Ų3268.6 Ų68.617%0.17135%0.345CS..Hα-helixtrans-65-46.2177.6-174.574.2000112K139 W269 F273 T274 V275 A276 F281 D282K139-N278 WeakPolarHBondContact CE-OD1 3.15Å; K139-N278 PolarHBondContact NZ-OD1 3.07Å; W269-N278 VanDerWaalsContact CH2-OD1 3.32Å; W269-N278 WeakPolarHBondContact CH2-OD1 3.45Å; W269-N278 HydrophobicContact CZ3-CB 4.49Å; W269-N278 WeakPolarHBondContact CZ3-OD1 3.48Å; F273-N278 HydrophobicContact CD1-CB 4.47Å; T274-N278 WeakPolarHBondContact O-CB 3.28Å; T274-N278 PolarHBondContact O-N 3.3Å; V275-N278 WeakPolarHBondContact O-CB 3.41Å; V275-N278 PolarHBondContact O-N 3Å; V275-N278 VanDerWaalsContact O-N 3.13Å; A276-N278 VanDerWaalsContact C-N 3.28Å; A276-N278 PolarHBondContact O-N 3.42Å; N278-F281 PolarHBondContact O-N 3.01Å; N278-D282 PolarHBondContact ND2-OD2 3.37Å; N278-D282 WeakPolarHBondContact O-CB 3.36Å; N278-D282 VanDerWaalsContact O-CG 3.23Å; N278-D282 PolarHBondContact O-N 3.23Å
279E98.8Very high98.4Very high128 Ų12869.5 Ų69.560%0.59835%0.349SS*.Hα-helixtrans-63.5-44.1178-70.1172.7171.300112V275 A276 D282 A283V275-E279 HydrophobicContact CG1-CG 4.48Å; V275-E279 WeakPolarHBondContact O-CG 3.45Å; V275-E279 PolarHBondContact O-N 3.15Å; A276-E279 PolarHBondContact O-N 3.43Å; E279-D282 PolarHBondContact O-N 2.88Å; E279-A283 PolarHBondContact O-N 3.35Å; E279-A283 VanDerWaalsContact O-N 3.09Å
280E98.8Very high98.1Very high86 Ų8676.3 Ų76.340%0.40238%0.38SS..Hα-helixtrans-59.2-49.3174.6-178.1-179-175.300111.2Q166 M169 A276 D282 A283 D284Q166-E280 PolarHBondContact NE2-OE1 3.33Å; Q166-E280 PolarHBondContact NE2-OE2 3.2Å; M169-E280 HydrophobicContact CE-CG 4.12Å; M169-E280 WeakPolarHBondContact CE-OE1 3.23Å; M169-E280 HydrophobicContact SD-CG 4.4Å; A276-E280 WeakPolarHBondContact O-CB 3.46Å; A276-E280 PolarHBondContact O-N 2.92Å; E280-D282 PolarHBondContact O-N 3.32Å; E280-A283 PolarHBondContact O-N 2.84Å; E280-D284 PolarHBondContact O-N 3.06Å
281F98.8Very high98Very high2 Ų273.4 Ų73.41%0.00937%0.369CS..Hα-helixtrans-62.4-44.7178.9-174.2-87.7000111.8A138 K139 M142 F165 F168 M169 Y179 F273 Q277 N278 A283 D284 Y285A138-F281 HydrophobicContact CB-CE1 4.11Å; A138-F281 HydrophobicContact CB-CE2 4.39Å; A138-F281 HydrophobicContact CB-CZ 3.44Å; A138-F281 VanDerWaalsContact CB-CZ 3.44Å; K139-F281 HydrophobicContact CD-CD1 4.3Å; K139-F281 VanDerWaalsContact CE-CD1 3.47Å; K139-F281 HydrophobicContact CG-CD1 3.91Å; K139-F281 HydrophobicContact CG-CE1 3.77Å; K139-F281 HydrophobicContact CG-CZ 4.45Å; M142-F281 HydrophobicContact CE-CD2 3.73Å; M142-F281 HydrophobicContact CE-CE2 3.61Å; F165-F281 HydrophobicContact CE2-CB 4.17Å; F165-F281 HydrophobicContact CE2-CD2 4.31Å; F165-F281 HydrophobicContact CZ-CB 4.02Å; F168-F281 HydrophobicContact CE1-CE2 4.43Å; M169-F281 HydrophobicContact CG-CD2 3.96Å; M169-F281 HydrophobicContact CG-CE2 4.34Å; M169-F281 HydrophobicContact SD-CB 4.47Å; M169-F281 HydrophobicContact SD-CD2 4.04Å; Y179-F281 HydrophobicContact CE1-CZ 4.48Å; Y179-F281 WeakPolarHBondContact OH-CE2 3.24Å; F273-F281 HydrophobicContact CE1-CB 4.13Å; F273-F281 HydrophobicContact CE1-CD2 4.34Å; F273-F281 HydrophobicContact CE1-CG 4.08Å; Q277-F281 WeakPolarHBondContact O-CB 3.5Å; Q277-F281 PolarHBondContact O-N 3.31Å; N278-F281 PolarHBondContact O-N 3.01Å; F281-A283 VanDerWaalsContact C-N 3.29Å; F281-A283 PolarHBondContact O-N 2.99Å; F281-D284 PolarHBondContact O-N 3.18Å; F281-Y285 AromaticContact CE1-CD2 3.67Å; F281-Y285 HydrophobicContact CE1-CD2 3.67Å; F281-Y285 HydrophobicContact CE1-CG 4.15Å; F281-Y285 AromaticContact CZ-CD2 3.97Å; F281-Y285 HydrophobicContact CZ-CD2 3.97Å; F281-Y285 WeakPolarHBondContact O-CB 3.08Å; F281-Y285 PolarHBondContact O-N 3.35Å
282D98.6Very high97.7Very high64 Ų6473.8 Ų73.834%0.34238%0.378SS..Hα-helixtrans-64.2-35.9-178.7-75-23.8000111.7K139 N278 E279 E280 K286K139-D282 WeakPolarHBondContact CE-OD1 3.49Å; K139-D282 VanDerWaalsContact NZ-CG 3.33Å; K139-D282 IonicContact NZ-OD1 2.69Å; K139-D282 PolarHBondContact NZ-OD1 3.15Å; K139-D282 IonicContact NZ-OD2 3.6Å; K139-D282 PolarHBondContact NZ-OD2 2.72Å; N278-D282 PolarHBondContact ND2-OD2 3.37Å; N278-D282 WeakPolarHBondContact O-CB 3.36Å; N278-D282 VanDerWaalsContact O-CG 3.23Å; N278-D282 PolarHBondContact O-N 3.23Å; E279-D282 PolarHBondContact O-N 2.88Å; E280-D282 PolarHBondContact O-N 3.32Å; D282-K286 WeakPolarHBondContact O-CB 3.1Å; D282-K286 PolarHBondContact O-N 2.8Å
283A98.5Very high97.6Very high65 Ų6573.9 Ų73.954%0.53739%0.392SS..Hα-helixtrans-66.3-45.7173.600000112.3E279 E280 F281 R287E279-A283 PolarHBondContact O-N 3.35Å; E279-A283 VanDerWaalsContact O-N 3.09Å; E280-A283 PolarHBondContact O-N 2.84Å; F281-A283 VanDerWaalsContact C-N 3.29Å; F281-A283 PolarHBondContact O-N 2.99Å; A283-R287 PolarHBondContact O-N 3.21Å
284D98.4Very high97.5Very high22 Ų2273.4 Ų73.412%0.11839%0.39CS..Hα-helixtrans-64.1-44.6176.1-175.159.5000111.9M169 Y179 E280 F281 K286 R287 K288M169-D284 HydrophobicContact SD-CB 4.49Å; Y179-D284 PolarHBondContact OH-OD2 2.59Å; E280-D284 PolarHBondContact O-N 3.06Å; F281-D284 PolarHBondContact O-N 3.18Å; D284-K286 PolarHBondContact O-N 3.15Å; D284-R287 WeakPolarHBondContact O-CB 3.21Å; D284-R287 PolarHBondContact O-N 3.18Å; D284-R287 VanDerWaalsContact O-N 3.13Å; D284-R287 IonicContact OD1-CZ 3.7Å; D284-R287 IonicContact OD1-NE 2.88Å; D284-R287 IonicContact OD1-NH2 3.35Å; D284-R287 PolarHBondContact OD1-NH2 3.36Å; D284-K288 VanDerWaalsContact CG-NZ 3.32Å; D284-K288 PolarHBondContact O-N 2.79Å; D284-K288 WeakPolarHBondContact OD1-CE 3.45Å; D284-K288 IonicContact OD1-NZ 2.75Å; D284-K288 PolarHBondContact OD1-NZ 3.15Å; D284-K288 VanDerWaalsContact OD1-NZ 3.1Å; D284-K288 WeakPolarHBondContact OD2-CD 3.41Å; D284-K288 WeakPolarHBondContact OD2-CE 3.42Å; D284-K288 IonicContact OD2-NZ 2.74Å; D284-K288 PolarHBondContact OD2-NZ 3.3Å
285Y98.5Very high97.3Very high49 Ų4976.4 Ų76.419%0.19240%0.399CS..Hα-helixtrans-58.9-48.7178.3-175-82.1000111.2A138 W178 Y179 F281 R287 K288 M289 F296A138-Y285 HydrophobicContact CB-CE2 4.36Å; W178-Y285 AromaticContact CH2-CE2 3.64Å; W178-Y285 HydrophobicContact CH2-CE2 3.64Å; W178-Y285 HydrophobicContact CZ3-CD2 4.18Å; W178-Y285 AromaticContact CZ3-CE2 3.57Å; W178-Y285 HydrophobicContact CZ3-CE2 3.57Å; Y179-Y285 AromaticContact CE1-CD2 3.78Å; Y179-Y285 HydrophobicContact CE1-CD2 3.78Å; Y179-Y285 HydrophobicContact CE1-CG 4.38Å; F281-Y285 AromaticContact CE1-CD2 3.67Å; F281-Y285 HydrophobicContact CE1-CD2 3.67Å; F281-Y285 HydrophobicContact CE1-CG 4.15Å; F281-Y285 AromaticContact CZ-CD2 3.97Å; F281-Y285 HydrophobicContact CZ-CD2 3.97Å; F281-Y285 WeakPolarHBondContact O-CB 3.08Å; F281-Y285 PolarHBondContact O-N 3.35Å; Y285-R287 PolarHBondContact O-N 3.1Å; Y285-K288 PolarHBondContact O-N 3.32Å; Y285-K288 VanDerWaalsContact O-N 3.17Å; Y285-M289 HydrophobicContact CD1-CB 4.05Å; Y285-M289 HydrophobicContact CD1-CG 4.08Å; Y285-M289 HydrophobicContact CD2-CG 3.94Å; Y285-M289 HydrophobicContact CE1-CB 3.72Å; Y285-M289 HydrophobicContact CE1-CG 3.79Å; Y285-M289 HydrophobicContact CE2-CG 3.67Å; Y285-M289 HydrophobicContact CG-CG 4.13Å; Y285-M289 WeakPolarHBondContact O-CB 3.44Å; Y285-M289 PolarHBondContact O-N 3.33Å; Y285-F296 VanDerWaalsContact OH-CD2 3.23Å; Y285-F296 WeakPolarHBondContact OH-CD2 3.27Å
286K97.5Very high97.3Very high174 Ų17471.8 Ų71.876%0.75737%0.37SS*.Hα-helixtrans-59.7-33.1177.5-176.2176.8179.9178.80112.6D282 D284D282-K286 WeakPolarHBondContact O-CB 3.1Å; D282-K286 PolarHBondContact O-N 2.8Å; D284-K286 PolarHBondContact O-N 3.15Å
287R97.4Very high97.3Very high156 Ų15671.5 Ų71.559%0.58936%0.355SS*.Hα-helixtrans-73.8-37.8177.9-177.4-178.463.4108.5-3.8112.2A283 D284 Y285 K290A283-R287 PolarHBondContact O-N 3.21Å; D284-R287 WeakPolarHBondContact O-CB 3.21Å; D284-R287 PolarHBondContact O-N 3.18Å; D284-R287 VanDerWaalsContact O-N 3.13Å; D284-R287 IonicContact OD1-CZ 3.7Å; D284-R287 IonicContact OD1-NE 2.88Å; D284-R287 IonicContact OD1-NH2 3.35Å; D284-R287 PolarHBondContact OD1-NH2 3.36Å; Y285-R287 PolarHBondContact O-N 3.1Å; R287-K290 WeakPolarHBondContact O-CE 3.31Å
288K97.4Very high97.2Very high69 Ų6972.9 Ų72.930%0.337%0.365SS..Hα-helixtrans-88.7-39.3-175-71.6178.4178.5157.80113.3M169 Y179 D284 Y285 K290M169-K288 PolarHBondContact O-NZ 3.44Å; Y179-K288 HydrophobicContact CD1-CB 3.83Å; Y179-K288 HydrophobicContact CD1-CD 4.1Å; Y179-K288 HydrophobicContact CD2-CD 3.45Å; Y179-K288 VanDerWaalsContact CD2-CD 3.45Å; Y179-K288 HydrophobicContact CE1-CB 4.22Å; Y179-K288 HydrophobicContact CE1-CD 4.17Å; Y179-K288 HydrophobicContact CE2-CD 3.5Å; Y179-K288 VanDerWaalsContact CE2-CD 3.5Å; Y179-K288 HydrophobicContact CG-CB 4.03Å; Y179-K288 HydrophobicContact CG-CD 3.75Å; D284-K288 VanDerWaalsContact CG-NZ 3.32Å; D284-K288 PolarHBondContact O-N 2.79Å; D284-K288 WeakPolarHBondContact OD1-CE 3.45Å; D284-K288 IonicContact OD1-NZ 2.75Å; D284-K288 PolarHBondContact OD1-NZ 3.15Å; D284-K288 VanDerWaalsContact OD1-NZ 3.1Å; D284-K288 WeakPolarHBondContact OD2-CD 3.41Å; D284-K288 WeakPolarHBondContact OD2-CE 3.42Å; D284-K288 IonicContact OD2-NZ 2.74Å; D284-K288 PolarHBondContact OD2-NZ 3.3Å; Y285-K288 PolarHBondContact O-N 3.32Å; Y285-K288 VanDerWaalsContact O-N 3.17Å; K288-K290 PolarHBondContact O-N 2.66Å
289M97.6Very high97Very high23 Ų2377 Ų7711%0.11338%0.384CS..  trans-91.586.1-178.7-61.1-57.6-71.800110.7W178 Y179 V182 Y285 L294 F296W178-M289 HydrophobicContact CH2-CE 4.13Å; W178-M289 HydrophobicContact CH2-SD 4.48Å; W178-M289 HydrophobicContact CZ3-CE 4.1Å; W178-M289 HydrophobicContact CZ3-CG 4.2Å; W178-M289 HydrophobicContact CZ3-SD 3.86Å; Y179-M289 HydrophobicContact CD1-CG 3.83Å; Y179-M289 HydrophobicContact CD1-SD 3.81Å; Y179-M289 HydrophobicContact CE1-CG 4.32Å; V182-M289 HydrophobicContact CG2-CE 3.78Å; V182-M289 HydrophobicContact CG2-SD 4.34Å; Y285-M289 HydrophobicContact CD1-CB 4.05Å; Y285-M289 HydrophobicContact CD1-CG 4.08Å; Y285-M289 HydrophobicContact CD2-CG 3.94Å; Y285-M289 HydrophobicContact CE1-CB 3.72Å; Y285-M289 HydrophobicContact CE1-CG 3.79Å; Y285-M289 HydrophobicContact CE2-CG 3.67Å; Y285-M289 HydrophobicContact CG-CG 4.13Å; Y285-M289 WeakPolarHBondContact O-CB 3.44Å; Y285-M289 PolarHBondContact O-N 3.33Å; M289-L294 HydrophobicContact CE-CD2 3.64Å; M289-L294 HydrophobicContact CE-CG 4.09Å; M289-F296 HydrophobicContact CE-CD2 4.44Å; M289-F296 HydrophobicContact CE-CE2 3.89Å
290K93.5Very high96.6Very high169 Ų16976.7 Ų76.774%0.73539%0.386SS*.  trans-96.1-16.9-173.4-61.9-176-177.71800114.9R287 K288 P292R287-K290 WeakPolarHBondContact O-CE 3.31Å; K288-K290 PolarHBondContact O-N 2.66Å; K290-P292 VanDerWaalsContact O-CD 3.27Å; K290-P292 WeakPolarHBondContact O-CD 3.16Å
291D95.3Very high96.5Very high48 Ų4876.2 Ų76.226%0.25739%0.385SS..  trans-79.7111.1179.6-174.2-14.2000109.4W186 A293 L294W186-D291 PolarHBondContact NE1-OD2 3.21Å; D291-A293 PolarHBondContact O-N 3.47Å; D291-A293 WeakPolarHBondContact OD1-CB 3.49Å; D291-A293 PolarHBondContact OD1-N 3.25Å; D291-L294 HydrophobicContact CB-CB 4.32Å; D291-L294 PolarHBondContact O-N 3.25Å
292P91.8Very high96.4Very high123 Ų12380.1 Ų80.180%0.79940%0.404SS*.THydrogen-bonded Turntrans-69.1-17.7-178.331-36.4000113.1K290 L294K290-P292 VanDerWaalsContact O-CD 3.27Å; K290-P292 WeakPolarHBondContact O-CD 3.16Å; P292-L294 VanDerWaalsContact C-N 3.33Å
293A95.6Very high96.3Very high66 Ų6681 Ų8155%0.54541%0.408SS..THydrogen-bonded Turntrans-78.6-19.5177.100000112.5W186 D291 H295W186-A293 HydrophobicContact CZ2-CB 4.01Å; D291-A293 PolarHBondContact O-N 3.47Å; D291-A293 WeakPolarHBondContact OD1-CB 3.49Å; D291-A293 PolarHBondContact OD1-N 3.25Å; A293-H295 PolarHBondContact O-N 3.04Å
294L97.1Very high96.1Very high7 Ų781.9 Ų81.94%0.03740%0.4CS..SBendtrans-96.188.2175.2-178.656.8000109.9V182 W186 Y197 F199 M289 D291 P292 F296V182-L294 HydrophobicContact CG2-CD2 4.37Å; W186-L294 HydrophobicContact CB-CD1 4.27Å; W186-L294 HydrophobicContact CB-CD2 3.78Å; W186-L294 HydrophobicContact CD2-CB 4.24Å; W186-L294 HydrophobicContact CD2-CD1 3.95Å; W186-L294 HydrophobicContact CD2-CG 4.49Å; W186-L294 HydrophobicContact CE3-CD1 4.06Å; W186-L294 HydrophobicContact CG-CB 4.09Å; W186-L294 HydrophobicContact CG-CD1 4.05Å; W186-L294 HydrophobicContact CG-CD2 3.91Å; W186-L294 HydrophobicContact CG-CG 4.23Å; Y197-L294 HydrophobicContact CE1-CD1 4.04Å; F199-L294 HydrophobicContact CE1-CD1 3.92Å; F199-L294 HydrophobicContact CZ-CD1 3.9Å; M289-L294 HydrophobicContact CE-CD2 3.64Å; M289-L294 HydrophobicContact CE-CG 4.09Å; D291-L294 HydrophobicContact CB-CB 4.32Å; D291-L294 PolarHBondContact O-N 3.25Å; P292-L294 VanDerWaalsContact C-N 3.33Å; L294-F296 HydrophobicContact CD1-CE2 3.68Å; L294-F296 HydrophobicContact CD1-CZ 3.95Å; L294-F296 HydrophobicContact CD2-CE2 4.18Å; L294-F296 HydrophobicContact CG-CD2 4.46Å; L294-F296 HydrophobicContact CG-CE2 3.69Å; L294-F296 HydrophobicContact CG-CZ 4.39Å
295H95.4Very high96Very high137 Ų13785.7 Ų85.763%0.63442%0.418SS*.  trans-111.4136.1-176.9-174.868.3000112.2F199 A293F199-H295 WeakPolarHBondContact CE1-O 3.33Å; A293-H295 PolarHBondContact O-N 3.04Å
296F98.4Very high95.8Very high11 Ų1188.1 Ų88.15%0.04843%0.433CS..  trans-117.5141.1179.5-70.3-93.3000110.9A135 N137 W178 V182 F199 Y285 M289 L294A135-F296 HydrophobicContact CB-CE1 3.46Å; A135-F296 VanDerWaalsContact CB-CE1 3.46Å; A135-F296 HydrophobicContact CB-CZ 3.77Å; N137-F296 HydrophobicContact CB-CB 4.11Å; N137-F296 HydrophobicContact CB-CD1 4.47Å; W178-F296 AromaticContact CH2-CD2 3.98Å; W178-F296 HydrophobicContact CH2-CD2 3.98Å; W178-F296 HydrophobicContact CH2-CE1 4.44Å; W178-F296 AromaticContact CH2-CE2 3.72Å; W178-F296 HydrophobicContact CH2-CE2 3.72Å; W178-F296 HydrophobicContact CH2-CG 4.42Å; W178-F296 AromaticContact CH2-CZ 3.99Å; W178-F296 HydrophobicContact CH2-CZ 3.99Å; W178-F296 HydrophobicContact CZ2-CD1 4.26Å; W178-F296 HydrophobicContact CZ2-CD2 4.36Å; W178-F296 AromaticContact CZ2-CE1 3.9Å; W178-F296 HydrophobicContact CZ2-CE1 3.9Å; W178-F296 AromaticContact CZ2-CE2 3.99Å; W178-F296 HydrophobicContact CZ2-CE2 3.99Å; W178-F296 HydrophobicContact CZ2-CG 4.46Å; W178-F296 AromaticContact CZ2-CZ 3.75Å; W178-F296 HydrophobicContact CZ2-CZ 3.75Å; V182-F296 HydrophobicContact CB-CZ 4.01Å; V182-F296 HydrophobicContact CG1-CZ 4.16Å; V182-F296 HydrophobicContact CG2-CE2 4.22Å; V182-F296 HydrophobicContact CG2-CZ 4.08Å; F199-F296 AromaticContact CD1-CD1 3.92Å; F199-F296 HydrophobicContact CD1-CD1 3.92Å; F199-F296 AromaticContact CD1-CE1 3.85Å; F199-F296 HydrophobicContact CD1-CE1 3.85Å; F199-F296 HydrophobicContact CE1-CD1 4.08Å; F199-F296 AromaticContact CE1-CE1 3.84Å; F199-F296 HydrophobicContact CE1-CE1 3.84Å; F199-F296 HydrophobicContact CE1-CE2 4.45Å; F199-F296 HydrophobicContact CE1-CG 4.49Å; F199-F296 HydrophobicContact CE1-CZ 4.04Å; Y285-F296 VanDerWaalsContact OH-CD2 3.23Å; Y285-F296 WeakPolarHBondContact OH-CD2 3.27Å; M289-F296 HydrophobicContact CE-CD2 4.44Å; M289-F296 HydrophobicContact CE-CE2 3.89Å; L294-F296 HydrophobicContact CD1-CE2 3.68Å; L294-F296 HydrophobicContact CD1-CZ 3.95Å; L294-F296 HydrophobicContact CD2-CE2 4.18Å; L294-F296 HydrophobicContact CG-CD2 4.46Å; L294-F296 HydrophobicContact CG-CE2 3.69Å; L294-F296 HydrophobicContact CG-CZ 4.39Å
297R98.4Very high95.7Very high59 Ų5982 Ų8222%0.22341%0.41CS..  trans-97.3129.7175.8-56.5-175.4-73.2166-9.1110.3N137 E201 D202 E205N137-R297 WeakPolarHBondContact CB-O 3.35Å; N137-R297 PolarHBondContact ND2-O 3.05Å; E201-R297 HydrophobicContact CB-CB 4.3Å; E201-R297 HydrophobicContact CG-CB 4.09Å; E201-R297 WeakPolarHBondContact CG-O 3.24Å; D202-R297 IonicContact OD1-CZ 2.66Å; D202-R297 IonicContact OD1-NE 2.78Å; D202-R297 IonicContact OD1-NH2 2.64Å; D202-R297 PolarHBondContact OD1-NH2 3.3Å; E205-R297 IonicContact OE1-CZ 2.83Å; E205-R297 IonicContact OE1-NH1 2.77Å; E205-R297 PolarHBondContact OE1-NH1 2.9Å; E205-R297 IonicContact OE1-NH2 3.36Å; E205-R297 IonicContact OE2-CZ 3.86Å; E205-R297 IonicContact OE2-NH1 3.57Å; E205-R297 PolarHBondContact OE2-NH1 3.4Å; E205-R297 IonicContact OE2-NH2 3.37Å; E205-R297 PolarHBondContact OE2-NH2 2.64Å
298C96.6Very high95.5Very high40 Ų4076.3 Ų76.327%0.2740%0.396SS..SBendtrans-95.5-1.2178.1-69.70000112.6G267 W269G267-C298 WeakPolarHBondContact CA-O 3.11Å; W269-C298 HydrophobicContact CZ2-CB 4.08Å; W269-C298 PolarHBondContact NE1-O 3.09Å
299E93.9Very high95.4Very high119 Ų11976.9 Ų76.956%0.55640%0.404SS*.  trans-157.5163.2178.860-167174.500109.5K270K270-E299 IonicContact NZ-OE2 3.1Å; K270-E299 PolarHBondContact NZ-OE2 2.95Å
300L91.3Very high95.2Very high121 Ų12181.8 Ų81.863%0.63443%0.431SS*.  trans-121.10177.4-64.4178.8000109.9E201 I204 E205 V266E201-L300 HydrophobicContact CB-CD2 4.2Å; I204-L300 HydrophobicContact CB-CD1 3.78Å; I204-L300 HydrophobicContact CG2-CD1 3.34Å; E205-L300 HydrophobicContact CB-CD1 4.25Å; E205-L300 HydrophobicContact CB-CD2 4.13Å; V266-L300 HydrophobicContact CB-CD1 4.07Å; V266-L300 HydrophobicContact CB-CG 3.93Å; V266-L300 HydrophobicContact CG1-CG 4.19Å; V266-L300 HydrophobicContact CG2-CD1 3.75Å; V266-L300 HydrophobicContact CG2-CG 3.96Å

Retrieved 300 of 300 residues in 344.9 ms (Link to these results)

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