A0A077S6M4_RAT Loading...

Lysozyme-like 6

AlphaFold DB , UniProt , Accession A0A077S6M4, Species RAT (Rattus norvegicus, Rat), Gene Lyzl6, Length 149 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
1M58.4Low63.6Low210 Ų210131.9 Ų131.9100%1.03466%0.664SS**  0-40.80-157159.971.400112.7M3M1-M3 PolarHBondContact O-N 2.94Å
2M65.2Low63.6Low165 Ų165127.1 Ų127.181%0.81365%0.651SS**Hα-helixtrans-62.6-37.9-179-71.6171.862.300115.6R4 V5 L6M2-R4 VanDerWaalsContact C-N 3.32Å; M2-R4 PolarHBondContact O-N 3.46Å; M2-V5 PolarHBondContact O-N 3.16Å; M2-L6 PolarHBondContact O-N 2.91Å
3M67.7Low63.3Low156 Ų156124.7 Ų124.777%0.76865%0.651SS**Hα-helixtrans-65.7-33-176.6-167.7169.271.600113.3M1 F7M1-M3 PolarHBondContact O-N 2.94Å; M3-F7 PolarHBondContact O-N 3.12Å
4R65.5Low62.9Low204 Ų204125.2 Ų125.277%0.7765%0.654SS**Hα-helixtrans-70.2-39.7176.5-72.7-174.3177.6-170.1-1.6111.9M2 F7 I8M2-R4 VanDerWaalsContact C-N 3.32Å; M2-R4 PolarHBondContact O-N 3.46Å; R4-F7 PolarHBondContact O-N 3.17Å; R4-I8 VanDerWaalsContact O-CG1 3.26Å; R4-I8 WeakPolarHBondContact O-CG1 3.33Å; R4-I8 PolarHBondContact O-N 3.07Å
5V65.8Low62.4Low87 Ų87126.1 Ų126.153%0.52766%0.659SS.*Hα-helixtrans-64.6-44.1175.4-179.80000110.1M2 F7 I8 C9M2-V5 PolarHBondContact O-N 3.16Å; V5-F7 VanDerWaalsContact C-N 3.34Å; V5-F7 PolarHBondContact O-N 3.04Å; V5-I8 PolarHBondContact O-N 3.44Å; V5-C9 PolarHBondContact O-N 3.29Å; V5-C9 PolarHBondContact O-SG 3.37Å
6L62.6Low62.1Low124 Ų124125.6 Ų125.665%0.64966%0.662SS**Hα-helixtrans-59.8-44.6177.4-145.799.9000111.7M2 C9 V10M2-L6 PolarHBondContact O-N 2.91Å; L6-C9 PolarHBondContact O-N 3.31Å; L6-V10 VanDerWaalsContact O-CG2 3.26Å; L6-V10 WeakPolarHBondContact O-CG2 3.23Å; L6-V10 PolarHBondContact O-N 3.44Å
7F61.2Low61.8Low152 Ų152126.2 Ų126.267%0.66767%0.672SS**Hα-helixtrans-63.6-42.1178.8-136.5-91.1000112.2M3 R4 V5 V10 V11M3-F7 PolarHBondContact O-N 3.12Å; R4-F7 PolarHBondContact O-N 3.17Å; V5-F7 VanDerWaalsContact C-N 3.34Å; V5-F7 PolarHBondContact O-N 3.04Å; F7-V10 PolarHBondContact O-N 3.28Å; F7-V11 HydrophobicContact CD1-CG2 4.26Å; F7-V11 VanDerWaalsContact O-CG2 3.28Å; F7-V11 WeakPolarHBondContact O-CG2 3.09Å; F7-V11 PolarHBondContact O-N 3.01Å
8I64.2Low61.4Low122 Ų122126.5 Ų126.563%0.62667%0.674SS**Hα-helixtrans-65.6-41.8176.5-65.5167.4000110.6R4 V5 V11 S12R4-I8 VanDerWaalsContact O-CG1 3.26Å; R4-I8 WeakPolarHBondContact O-CG1 3.33Å; R4-I8 PolarHBondContact O-N 3.07Å; V5-I8 PolarHBondContact O-N 3.44Å; I8-V11 PolarHBondContact O-N 3.23Å; I8-S12 WeakPolarHBondContact O-CB 3.43Å; I8-S12 PolarHBondContact O-N 2.66Å; I8-S12 PolarHBondContact O-OG 3.47Å
9C62.9Low61.3Low65 Ų65127.3 Ų127.344%0.43968%0.678SS.*Hα-helixtrans-61.1-45.2175.8-70.10000111.9V5 L6 S12 C13V5-C9 PolarHBondContact O-N 3.29Å; V5-C9 PolarHBondContact O-SG 3.37Å; L6-C9 PolarHBondContact O-N 3.31Å; C9-S12 WeakPolarHBondContact CA-OG 3.21Å; C9-S12 PolarHBondContact O-N 3.46Å; C9-S12 PolarHBondContact O-OG 3.47Å; C9-C13 PolarHBondContact O-N 2.98Å
10V63.2Low61.7Low83 Ų83123.3 Ų123.350%0.50367%0.669SS.*Hα-helixtrans-63.5-43.3178.1175.20000111.4L6 F7 C13 L14L6-V10 VanDerWaalsContact O-CG2 3.26Å; L6-V10 WeakPolarHBondContact O-CG2 3.23Å; L6-V10 PolarHBondContact O-N 3.44Å; F7-V10 PolarHBondContact O-N 3.28Å; V10-C13 PolarHBondContact O-N 3.14Å; V10-L14 HydrophobicContact CG1-CD1 4.4Å; V10-L14 PolarHBondContact O-N 2.85Å
11V62.9Low63Low83 Ų83118.9 Ų118.950%0.50365%0.647SS.*Hα-helixtrans-65.7-37.9176.2173.60000111.4F7 I8 C13 L14F7-V11 HydrophobicContact CD1-CG2 4.26Å; F7-V11 VanDerWaalsContact O-CG2 3.28Å; F7-V11 WeakPolarHBondContact O-CG2 3.09Å; F7-V11 PolarHBondContact O-N 3.01Å; I8-V11 PolarHBondContact O-N 3.23Å; V11-C13 PolarHBondContact O-N 2.89Å; V11-L14 PolarHBondContact O-N 3.38Å
12S63.8Low64.8Low74 Ų74113 Ų11352%0.51762%0.619SS.*Hα-helixtrans-69.2-30177.968.90000113.6I8 C9 L14I8-S12 WeakPolarHBondContact O-CB 3.43Å; I8-S12 PolarHBondContact O-N 2.66Å; I8-S12 PolarHBondContact O-OG 3.47Å; C9-S12 WeakPolarHBondContact CA-OG 3.21Å; C9-S12 PolarHBondContact O-N 3.46Å; C9-S12 PolarHBondContact O-OG 3.47Å; S12-L14 VanDerWaalsContact C-N 3.35Å
13C59.8Low66.4Low96 Ų96106.4 Ų106.465%0.64959%0.586SS**Hα-helixtrans-76.8-18.1176.8-780000113.7C9 V10 V11 L15C9-C13 PolarHBondContact O-N 2.98Å; V10-C13 PolarHBondContact O-N 3.14Å; V11-C13 PolarHBondContact O-N 2.89Å; C13-L15 VanDerWaalsContact C-N 3.31Å; C13-L15 PolarHBondContact O-N 3.01Å
14L57.2Low67.7Low132 Ų132103.7 Ų103.769%0.69158%0.575SS**THydrogen-bonded Turntrans-80.7-7.3-178.3-84.9157.8000114V10 V11 S12 V16V10-L14 HydrophobicContact CG1-CD1 4.4Å; V10-L14 PolarHBondContact O-N 2.85Å; V11-L14 PolarHBondContact O-N 3.38Å; S12-L14 VanDerWaalsContact C-N 3.35Å; L14-V16 PolarHBondContact O-N 2.92Å
15L56.5Low69.3Low139 Ų13997.5 Ų97.573%0.72855%0.552SS**  trans-90.445175.1-49.6-173.3000111.5C13 V17C13-L15 VanDerWaalsContact C-N 3.31Å; C13-L15 PolarHBondContact O-N 3.01Å; L15-V17 PolarHBondContact O-N 3.32Å
16V57.7Low70.8Confident118 Ų11894.7 Ų94.772%0.71554%0.536SS*.  trans-66.590.2159.9-178.70000105.5L14 N18L14-V16 PolarHBondContact O-N 2.92Å; V16-N18 VanDerWaalsContact C-N 3.34Å; V16-N18 PolarHBondContact O-N 3.3Å
17V55.6Low72.5Confident135 Ų13591 Ų9182%0.81852%0.519SS*.  trans-54.8106.9164.7-1350000104.5L15 D19L15-V17 PolarHBondContact O-N 3.32Å; V17-D19 VanDerWaalsContact C-N 3.29Å; V17-D19 PolarHBondContact O-N 2.99Å
18N55.8Low74.3Confident132 Ų13283.8 Ų83.871%0.70649%0.487SS*.  trans-69.893.7-175.1-163.312.5000107.1V16 G20V16-N18 VanDerWaalsContact C-N 3.34Å; V16-N18 PolarHBondContact O-N 3.3Å; N18-G20 PolarHBondContact O-N 3.14Å; N18-G20 PolarHBondContact OD1-N 3.14Å
19D59.5Low75.9Confident141 Ų14178 Ų7875%0.75446%0.457SS*.G310 helixtrans-63.11.2167.8-156.516.1000111.3V17 S21V17-D19 VanDerWaalsContact C-N 3.29Å; V17-D19 PolarHBondContact O-N 2.99Å; D19-S21 PolarHBondContact O-N 3.15Å; D19-S21 VanDerWaalsContact O-N 3.12Å
20G68.7Low77.6Confident48 Ų4879.3 Ų79.350%0.49545%0.453SS..G310 helixtrans-70.66.2179.500000116.2N18N18-G20 PolarHBondContact O-N 3.14Å; N18-G20 PolarHBondContact OD1-N 3.14Å
21S89Confident79.3Confident30 Ų3077.2 Ų77.221%0.2144%0.438CS..G310 helixtrans-97.2-13.8177.968.90000114.1D19 N59 I60D19-S21 PolarHBondContact O-N 3.15Å; D19-S21 VanDerWaalsContact O-N 3.12Å; S21-N59 WeakPolarHBondContact CB-OD1 3.48Å; S21-N59 CarbonylContact O-C 3.55Å; S21-N59 VanDerWaalsContact O-CA 3.25Å; S21-N59 WeakPolarHBondContact O-CA 3.32Å; S21-N59 PolarHBondContact O-OD1 3.24Å; S21-N59 PolarHBondContact OG-OD1 3.33Å; S21-I60 WeakPolarHBondContact O-CG1 3.42Å; S21-I60 PolarHBondContact O-N 2.92Å
22I96.9Very high81Confident87 Ų8773.3 Ų73.345%0.44641%0.414SS..BIsolated β-bridgetrans-96114.8176.2-53.3-55.6000110F58 N59I22-F58 WeakPolarHBondContact CA-O 3.37Å; I22-F58 HydrophobicContact CG2-CB 4.38Å; I22-N59 HydrophobicContact CD1-CB 3.47Å; I22-N59 VanDerWaalsContact CD1-CB 3.47Å
23I97.2Very high82.6Confident26 Ų2674.7 Ų74.713%0.13341%0.409CS..  trans-81.8137.3176-167.6167.8000111.5R25 T27 L28 I31 F58 I60 I75 L107I23-R25 PolarHBondContact O-N 3.08Å; I23-T27 HydrophobicContact CD1-CG2 4.1Å; I23-T27 HydrophobicContact CG1-CG2 4.14Å; I23-L28 HydrophobicContact CD1-CB 4.12Å; I23-L28 HydrophobicContact CD1-CD1 4.4Å; I23-L28 HydrophobicContact CG1-CB 4.32Å; I23-L28 HydrophobicContact CG2-CB 4.09Å; I23-L28 HydrophobicContact CG2-CD2 4.28Å; I23-I31 HydrophobicContact CD1-CD1 3.77Å; I23-F58 HydrophobicContact CG2-CB 3.94Å; I23-F58 PolarHBondContact N-O 3.38Å; I23-F58 WeakPolarHBondContact O-CB 3.46Å; I23-I60 HydrophobicContact CB-CG2 3.85Å; I23-I60 HydrophobicContact CG2-CG2 3.79Å; I23-I75 HydrophobicContact CG2-CD1 3.76Å; I23-L107 HydrophobicContact CD1-CD1 3.78Å
24N96.8Very high84.4Confident100 Ų10075.5 Ų75.554%0.53540%0.403SS..  trans-63.1133.9172.4178.7-83000111C26 T27 L28N24-C26 VanDerWaalsContact C-N 3.33Å; N24-C26 PolarHBondContact O-N 3.49Å; N24-C26 PolarHBondContact OD1-N 2.9Å; N24-T27 WeakPolarHBondContact O-CA 3.4Å; N24-T27 WeakPolarHBondContact O-CB 3.41Å; N24-T27 PolarHBondContact O-N 2.05Å; N24-T27 PolarHBondContact OD1-N 2.69Å; N24-L28 PolarHBondContact O-N 3.41Å
25R97.9Very high86.4Confident74 Ų7471.8 Ų71.828%0.27938%0.382SS..Hα-helixtrans-47.4-47.9178.8177-179.159.8106-1.2113.9I23 L28 A29 F58 Y141 W142 T144I23-R25 PolarHBondContact O-N 3.08Å; R25-L28 PolarHBondContact O-N 3.15Å; R25-A29 WeakPolarHBondContact O-CB 3.26Å; R25-A29 PolarHBondContact O-N 3.06Å; R25-F58 HydrophobicContact CB-CE2 4.14Å; R25-F58 HydrophobicContact CB-CZ 4.29Å; R25-F58 HydrophobicContact CG-CE2 4.48Å; R25-F58 HydrophobicContact CG-CZ 4.23Å; R25-Y141 PolarHBondContact NH1-O 3.31Å; R25-W142 WeakPolarHBondContact CD-O 3.47Å; R25-W142 HydrophobicContact CG-CE3 4.32Å; R25-W142 PolarHBondContact NH1-O 2.88Å; R25-T144 PolarHBondContact NH1-O 3.32Å; R25-T144 PolarHBondContact NH2-O 2.88Å
26C98.4Very high88.4Confident27 Ų2771.2 Ų71.218%0.18238%0.38CS..Hα-helixtrans-76.7-29.2-177.7-65.30000112.5N24 A29 R30 C146N24-C26 VanDerWaalsContact C-N 3.33Å; N24-C26 PolarHBondContact O-N 3.49Å; N24-C26 PolarHBondContact OD1-N 2.9Å; C26-A29 PolarHBondContact O-N 3.44Å; C26-R30 PolarHBondContact O-N 3.22Å; C26-R30 VanDerWaalsContact O-N 3.07Å; C26-C146 WeakPolarHBondContact CA-SG 3.32Å; C26-C146 HydrophobicContact CB-CB 3.68Å; C26-C146 WeakPolarHBondContact CB-SG 3.34Å; C26-C146 WeakPolarHBondContact SG-CA 3.42Å; C26-C146 WeakPolarHBondContact SG-CB 3.35Å; C26-C146 CovalentContact SG-SG 2.05Å; C26-C146 PolarHBondContact SG-SG 3.03Å
27T97.5Very high90.3Very high48 Ų4865.6 Ų65.629%0.29435%0.346SS..Hα-helixtrans-63.1-47169-62.20000110.6I23 N24 A29 R30 I31I23-T27 HydrophobicContact CD1-CG2 4.1Å; I23-T27 HydrophobicContact CG1-CG2 4.14Å; N24-T27 WeakPolarHBondContact O-CA 3.4Å; N24-T27 WeakPolarHBondContact O-CB 3.41Å; N24-T27 PolarHBondContact O-N 2.05Å; N24-T27 PolarHBondContact OD1-N 2.69Å; T27-A29 PolarHBondContact O-N 2.82Å; T27-R30 PolarHBondContact O-N 3.26Å; T27-I31 HydrophobicContact CG2-CD1 4.13Å; T27-I31 WeakPolarHBondContact O-CG1 2.95Å; T27-I31 PolarHBondContact O-N 3.32Å
28L98.3Very high92.3Very high0 Ų062.9 Ų62.90%033%0.327CS..Hα-helixtrans-60.2-45.8174.6179.462.4000111.4I23 N24 R25 R30 I31 L32 L49 A52 F58 I75 L107I23-L28 HydrophobicContact CD1-CB 4.12Å; I23-L28 HydrophobicContact CD1-CD1 4.4Å; I23-L28 HydrophobicContact CG1-CB 4.32Å; I23-L28 HydrophobicContact CG2-CB 4.09Å; I23-L28 HydrophobicContact CG2-CD2 4.28Å; N24-L28 PolarHBondContact O-N 3.41Å; R25-L28 PolarHBondContact O-N 3.15Å; L28-R30 VanDerWaalsContact C-N 3.27Å; L28-R30 PolarHBondContact O-N 2.89Å; L28-I31 PolarHBondContact O-N 3.04Å; L28-L32 HydrophobicContact CD1-CD1 3.96Å; L28-L32 HydrophobicContact CD1-CD2 4.28Å; L28-L32 HydrophobicContact CD1-CG 3.9Å; L28-L32 HydrophobicContact CD2-CD1 4.38Å; L28-L32 HydrophobicContact CG-CD1 3.75Å; L28-L32 HydrophobicContact CG-CG 4.15Å; L28-L32 WeakPolarHBondContact O-CB 3.34Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.27Å; L28-L32 PolarHBondContact O-N 2.89Å; L28-L49 HydrophobicContact CB-CD2 4.15Å; L28-L49 HydrophobicContact CD2-CD2 3.76Å; L28-L49 HydrophobicContact CG-CD2 3.83Å; L28-A52 HydrophobicContact CD2-CB 3.7Å; L28-F58 HydrophobicContact CD2-CD1 3.57Å; L28-F58 HydrophobicContact CD2-CE1 3.7Å; L28-I75 HydrophobicContact CD1-CD1 3.71Å; L28-I75 HydrophobicContact CD2-CD1 3.62Å; L28-I75 HydrophobicContact CG-CD1 4.3Å; L28-L107 HydrophobicContact CD1-CD1 3.58Å
29A98.7Very high94.3Very high0 Ų058.8 Ų58.80%032%0.316CS..Hα-helixtrans-55.7-42.4178.400000112.4R25 C26 T27 Y33 L49 L143 L148R25-A29 WeakPolarHBondContact O-CB 3.26Å; R25-A29 PolarHBondContact O-N 3.06Å; C26-A29 PolarHBondContact O-N 3.44Å; T27-A29 PolarHBondContact O-N 2.82Å; A29-Y33 WeakPolarHBondContact O-CB 3.27Å; A29-Y33 PolarHBondContact O-N 3.21Å; A29-L49 HydrophobicContact CB-CD1 3.84Å; A29-L49 HydrophobicContact CB-CD2 4.12Å; A29-L49 HydrophobicContact CB-CG 4.5Å; A29-L143 HydrophobicContact CB-CD2 3.86Å; A29-L148 HydrophobicContact CB-CD2 3.86Å
30R98.4Very high96.2Very high93 Ų9354.3 Ų54.335%0.35129%0.29SS..Hα-helixtrans-67.4-44.2177175.1168.744.587.22.8112.2C26 T27 L28 Y33 Q34C26-R30 PolarHBondContact O-N 3.22Å; C26-R30 VanDerWaalsContact O-N 3.07Å; T27-R30 PolarHBondContact O-N 3.26Å; L28-R30 VanDerWaalsContact C-N 3.27Å; L28-R30 PolarHBondContact O-N 2.89Å; R30-Y33 PolarHBondContact O-N 3.45Å; R30-Q34 HydrophobicContact CG-CG 4.45Å; R30-Q34 WeakPolarHBondContact O-CB 3.49Å; R30-Q34 VanDerWaalsContact O-CG 3.23Å; R30-Q34 WeakPolarHBondContact O-CG 3.36Å; R30-Q34 PolarHBondContact O-N 2.75Å
31I98.2Very high97.6Very high39 Ų3957.4 Ų57.420%0.229%0.292CS..Hα-helixtrans-59.2-50.6175.6-66.8166.5000109.7I23 T27 L28 Y33 Q34 E35 L107 I111I23-I31 HydrophobicContact CD1-CD1 3.77Å; T27-I31 HydrophobicContact CG2-CD1 4.13Å; T27-I31 WeakPolarHBondContact O-CG1 2.95Å; T27-I31 PolarHBondContact O-N 3.32Å; L28-I31 PolarHBondContact O-N 3.04Å; I31-Y33 VanDerWaalsContact C-N 3.29Å; I31-Y33 PolarHBondContact O-N 3.37Å; I31-Q34 PolarHBondContact O-N 2.94Å; I31-Q34 VanDerWaalsContact O-N 3.12Å; I31-E35 HydrophobicContact CG2-CG 4.36Å; I31-E35 WeakPolarHBondContact O-CG 3.45Å; I31-E35 PolarHBondContact O-N 3.07Å; I31-L107 HydrophobicContact CD1-CD1 4.28Å; I31-I111 HydrophobicContact CG2-CD1 3.75Å
32L98.6Very high98Very high0 Ų059.3 Ų59.30%032%0.316CS..Hα-helixtrans-61.3-37.4179.4-64.3173.7000112.3L28 E35 D36 L37 L45 W48 L49 F76 I111L28-L32 HydrophobicContact CD1-CD1 3.96Å; L28-L32 HydrophobicContact CD1-CD2 4.28Å; L28-L32 HydrophobicContact CD1-CG 3.9Å; L28-L32 HydrophobicContact CD2-CD1 4.38Å; L28-L32 HydrophobicContact CG-CD1 3.75Å; L28-L32 HydrophobicContact CG-CG 4.15Å; L28-L32 WeakPolarHBondContact O-CB 3.34Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.27Å; L28-L32 PolarHBondContact O-N 2.89Å; L32-E35 PolarHBondContact O-N 3.36Å; L32-D36 PolarHBondContact O-N 2.9Å; L32-L37 HydrophobicContact CB-CB 4.11Å; L32-L37 HydrophobicContact CB-CG 4.3Å; L32-L37 HydrophobicContact CD2-CG 4Å; L32-L37 VanDerWaalsContact O-CB 3.27Å; L32-L37 WeakPolarHBondContact O-CB 3.47Å; L32-L37 PolarHBondContact O-N 2.91Å; L32-L45 HydrophobicContact CB-CD2 3.47Å; L32-L45 VanDerWaalsContact CB-CD2 3.47Å; L32-W48 HydrophobicContact CD1-CB 3.73Å; L32-L49 HydrophobicContact CD1-CD2 4.1Å; L32-F76 HydrophobicContact CD2-CZ 4.02Å; L32-I111 HydrophobicContact CD2-CD1 3.91Å; L32-I111 HydrophobicContact CD2-CG1 3.94Å
33Y98.4Very high98.1Very high103 Ų10357 Ų5740%0.40430%0.302SS..Hα-helixtrans-63.6-45.6174-176.5-106.6000111.8A29 R30 I31 E35 D36 D38 L45 L148A29-Y33 WeakPolarHBondContact O-CB 3.27Å; A29-Y33 PolarHBondContact O-N 3.21Å; R30-Y33 PolarHBondContact O-N 3.45Å; I31-Y33 VanDerWaalsContact C-N 3.29Å; I31-Y33 PolarHBondContact O-N 3.37Å; Y33-E35 PolarHBondContact O-N 3.32Å; Y33-D36 PolarHBondContact O-N 3.38Å; Y33-D36 VanDerWaalsContact O-N 3.16Å; Y33-D38 HydrophobicContact CD2-CB 4.17Å; Y33-L45 HydrophobicContact CD2-CD1 3.81Å; Y33-L45 HydrophobicContact CG-CD1 4.26Å; Y33-L148 HydrophobicContact CD1-CB 4.03Å; Y33-L148 HydrophobicContact CD2-CD1 3.96Å; Y33-L148 HydrophobicContact CE1-CB 4.43Å; Y33-L148 HydrophobicContact CE2-CD1 4.45Å; Y33-L148 HydrophobicContact CG-CB 4.17Å; Y33-L148 HydrophobicContact CG-CD1 4.09Å
34Q98.2Very high98.1Very high113 Ų11357.8 Ų57.853%0.52831%0.31SS..Hα-helixtrans-64.9-28.7178.7-72.7173.4-40.900112.8R30 I31 D36R30-Q34 HydrophobicContact CG-CG 4.45Å; R30-Q34 WeakPolarHBondContact O-CB 3.49Å; R30-Q34 VanDerWaalsContact O-CG 3.23Å; R30-Q34 WeakPolarHBondContact O-CG 3.36Å; R30-Q34 PolarHBondContact O-N 2.75Å; I31-Q34 PolarHBondContact O-N 2.94Å; I31-Q34 VanDerWaalsContact O-N 3.12Å; Q34-D36 VanDerWaalsContact C-N 3.31Å
35E98.2Very high98.2Very high54 Ų5453 Ų5325%0.25228%0.284SS..THydrogen-bonded Turntrans-89.915.6176.6-62.8-54.6133.900113.2I31 L32 Y33 L37 I108 I111 K115I31-E35 HydrophobicContact CG2-CG 4.36Å; I31-E35 WeakPolarHBondContact O-CG 3.45Å; I31-E35 PolarHBondContact O-N 3.07Å; L32-E35 PolarHBondContact O-N 3.36Å; Y33-E35 PolarHBondContact O-N 3.32Å; E35-L37 HydrophobicContact CB-CD2 3.73Å; E35-L37 WeakPolarHBondContact O-CD2 3.41Å; E35-L37 PolarHBondContact O-N 3.5Å; E35-I108 HydrophobicContact CG-CD1 3.76Å; E35-I108 WeakPolarHBondContact OE1-CD1 3.49Å; E35-I108 VanDerWaalsContact OE2-CD1 3.26Å; E35-I108 WeakPolarHBondContact OE2-CD1 3.09Å; E35-I111 HydrophobicContact CB-CD1 4.29Å; E35-I111 HydrophobicContact CB-CG2 4.04Å; E35-I111 HydrophobicContact CG-CD1 3.9Å; E35-I111 HydrophobicContact CG-CG2 4.49Å; E35-K115 WeakPolarHBondContact O-CE 3.38Å; E35-K115 PolarHBondContact O-NZ 3.5Å
36D97.7Very high98.3Very high127 Ų12750 Ų5068%0.67927%0.274SS*.THydrogen-bonded Turntrans6140177.1-58.1-50000114.8L32 Y33 Q34L32-D36 PolarHBondContact O-N 2.9Å; Y33-D36 PolarHBondContact O-N 3.38Å; Y33-D36 VanDerWaalsContact O-N 3.16Å; Q34-D36 VanDerWaalsContact C-N 3.31Å
37L98.5Very high98.3Very high0 Ų050.9 Ų50.90%028%0.275CS..  trans-89.2-16.5178.2-74.1-86.1000112L32 E35 G39 F40 Y43 L45 W48 I111 K115L32-L37 HydrophobicContact CB-CB 4.11Å; L32-L37 HydrophobicContact CB-CG 4.3Å; L32-L37 HydrophobicContact CD2-CG 4Å; L32-L37 VanDerWaalsContact O-CB 3.27Å; L32-L37 WeakPolarHBondContact O-CB 3.47Å; L32-L37 PolarHBondContact O-N 2.91Å; E35-L37 HydrophobicContact CB-CD2 3.73Å; E35-L37 WeakPolarHBondContact O-CD2 3.41Å; E35-L37 PolarHBondContact O-N 3.5Å; L37-G39 PolarHBondContact O-N 2.89Å; L37-G39 VanDerWaalsContact O-N 3.14Å; L37-F40 PolarHBondContact O-N 2.96Å; L37-Y43 VanDerWaalsContact O-O 3.12Å; L37-L45 HydrophobicContact CB-CD2 4.24Å; L37-W48 HydrophobicContact CB-CD2 4.34Å; L37-W48 HydrophobicContact CB-CG 4.28Å; L37-W48 HydrophobicContact CD1-CD2 3.54Å; L37-W48 HydrophobicContact CD1-CE3 3.73Å; L37-W48 HydrophobicContact CD1-CG 4.32Å; L37-W48 HydrophobicContact CD1-CH2 3.4Å; L37-W48 HydrophobicContact CD1-CZ2 3.21Å; L37-W48 HydrophobicContact CD1-CZ3 3.66Å; L37-W48 HydrophobicContact CG-CD2 4.34Å; L37-W48 HydrophobicContact CG-CZ2 4.48Å; L37-W48 PolarHBondContact O-NE1 3.35Å; L37-I111 HydrophobicContact CD1-CG2 4.34Å; L37-I111 HydrophobicContact CD2-CG2 3.68Å; L37-I111 HydrophobicContact CG-CG2 4.3Å; L37-K115 HydrophobicContact CD1-CG 4.13Å; L37-K115 HydrophobicContact CD2-CD 4.48Å
38D98.1Very high98.3Very high79 Ų7948.6 Ų48.642%0.42226%0.261SS..THydrogen-bonded Turntrans-72.1108178.4-156.624.7000110.9Y33 S44 L45Y33-D38 HydrophobicContact CD2-CB 4.17Å; D38-S44 WeakPolarHBondContact OD1-CA 3.44Å; D38-L45 HydrophobicContact CB-CD1 3.91Å; D38-L45 HydrophobicContact CB-CD2 4.31Å; D38-L45 HydrophobicContact CB-CG 3.59Å; D38-L45 PolarHBondContact OD1-N 3Å
39G98.1Very high98.4Very high46 Ų4648.6 Ų48.647%0.47426%0.261SS..THydrogen-bonded Turntrans88.4-0.4-176.900000114.3L37 E41 G42 Y43L37-G39 PolarHBondContact O-N 2.89Å; L37-G39 VanDerWaalsContact O-N 3.14Å; G39-E41 PolarHBondContact O-N 3.17Å; G39-G42 PolarHBondContact O-N 3.49Å; G39-Y43 CarbonylContact C-O 3.58Å; G39-Y43 VanDerWaalsContact CA-O 3.32Å; G39-Y43 WeakPolarHBondContact CA-O 3.4Å; G39-Y43 PolarHBondContact N-O 3.18Å
40F98.6Very high98.4Very high46 Ų4648.7 Ų48.720%0.20226%0.262CS..BIsolated β-bridgetrans-57.7122.6176.3-175.2-91.5000110.7L37 G42 Y43 W48 K115 V118 S119L37-F40 PolarHBondContact O-N 2.96Å; F40-G42 PolarHBondContact O-N 2.91Å; F40-G42 VanDerWaalsContact O-N 3.07Å; F40-Y43 PolarHBondContact N-O 3.4Å; F40-Y43 PolarHBondContact O-N 3.35Å; F40-W48 HydrophobicContact CB-CZ2 4.41Å; F40-W48 HydrophobicContact CD1-CH2 4.45Å; F40-W48 AromaticContact CD1-CZ2 3.86Å; F40-W48 HydrophobicContact CD1-CZ2 3.86Å; F40-W48 HydrophobicContact CG-CZ2 4.49Å; F40-K115 HydrophobicContact CD1-CG 4.23Å; F40-K115 HydrophobicContact CD2-CD 4.27Å; F40-K115 HydrophobicContact CD2-CG 4.37Å; F40-K115 HydrophobicContact CE1-CB 3.86Å; F40-K115 HydrophobicContact CE1-CG 3.82Å; F40-K115 HydrophobicContact CE2-CB 4.33Å; F40-K115 HydrophobicContact CE2-CD 3.86Å; F40-K115 HydrophobicContact CE2-CG 3.99Å; F40-K115 HydrophobicContact CG-CG 4.48Å; F40-K115 HydrophobicContact CZ-CB 3.64Å; F40-K115 HydrophobicContact CZ-CD 4.03Å; F40-K115 HydrophobicContact CZ-CG 3.69Å; F40-V118 HydrophobicContact CD1-CG1 4.1Å; F40-V118 HydrophobicContact CE1-CB 4.23Å; F40-V118 HydrophobicContact CE1-CG1 4.1Å; F40-S119 WeakPolarHBondContact CZ-OG 3.04Å
41E97.9Very high98.4Very high114 Ų11444.3 Ų44.353%0.53325%0.246SC..THydrogen-bonded Turntrans51.429.1-175.4-60-71.4179.100113.5G39 Y43 V118 S119G39-E41 PolarHBondContact O-N 3.17Å; E41-Y43 VanDerWaalsContact C-N 3.35Å; E41-Y43 HydrophobicContact CB-CD2 4.22Å; E41-Y43 HydrophobicContact CB-CE2 4.48Å; E41-V118 HydrophobicContact CB-CG1 3.82Å; E41-V118 HydrophobicContact CG-CG1 4.05Å; E41-S119 WeakPolarHBondContact OE1-CB 3.08Å; E41-S119 PolarHBondContact OE1-OG 2.94Å
42G97.6Very high98.4Very high70 Ų7042.4 Ų42.472%0.72224%0.236SC*.THydrogen-bonded Turntrans82.53.9-178.600000115.3G39 F40G39-G42 PolarHBondContact O-N 3.49Å; F40-G42 PolarHBondContact O-N 2.91Å; F40-G42 VanDerWaalsContact O-N 3.07Å
43Y98.5Very high98.4Very high38 Ų3846 Ų4615%0.14925%0.252CS..BIsolated β-bridgetrans-96.5120.2177-63-74.8000111.5L37 G39 F40 E41 H47 V118 M124 W130L37-Y43 VanDerWaalsContact O-O 3.12Å; G39-Y43 CarbonylContact C-O 3.58Å; G39-Y43 VanDerWaalsContact CA-O 3.32Å; G39-Y43 WeakPolarHBondContact CA-O 3.4Å; G39-Y43 PolarHBondContact N-O 3.18Å; F40-Y43 PolarHBondContact N-O 3.4Å; F40-Y43 PolarHBondContact O-N 3.35Å; E41-Y43 VanDerWaalsContact C-N 3.35Å; E41-Y43 HydrophobicContact CB-CD2 4.22Å; E41-Y43 HydrophobicContact CB-CE2 4.48Å; Y43-H47 HydrophobicContact CD1-CB 4.2Å; Y43-V118 HydrophobicContact CD2-CG1 3.69Å; Y43-V118 HydrophobicContact CE2-CG1 3.73Å; Y43-M124 HydrophobicContact CD1-CB 4.45Å; Y43-M124 HydrophobicContact CD1-CE 4.27Å; Y43-M124 HydrophobicContact CD1-CG 4.05Å; Y43-M124 HydrophobicContact CD1-SD 3.55Å; Y43-M124 VanDerWaalsContact CD1-SD 3.55Å; Y43-M124 HydrophobicContact CD2-CE 4.25Å; Y43-M124 HydrophobicContact CD2-CG 4.02Å; Y43-M124 HydrophobicContact CD2-SD 4.25Å; Y43-M124 HydrophobicContact CE1-CB 3.91Å; Y43-M124 HydrophobicContact CE1-CG 3.96Å; Y43-M124 HydrophobicContact CE1-SD 3.96Å; Y43-M124 HydrophobicContact CE2-CB 4.3Å; Y43-M124 HydrophobicContact CE2-CG 3.93Å; Y43-M124 HydrophobicContact CG-CE 3.82Å; Y43-M124 HydrophobicContact CG-CG 4.06Å; Y43-M124 HydrophobicContact CG-SD 3.69Å; Y43-M124 PolarHBondContact OH-N 2.97Å; Y43-W130 HydrophobicContact CD1-CH2 4.28Å; Y43-W130 HydrophobicContact CD1-CZ2 4.02Å; Y43-W130 AromaticContact CE1-CH2 3.6Å; Y43-W130 HydrophobicContact CE1-CH2 3.6Å; Y43-W130 AromaticContact CE1-CZ2 3.78Å; Y43-W130 HydrophobicContact CE1-CZ2 3.78Å
44S98.4Very high98.5Very high43 Ų4342.1 Ų42.130%0.30124%0.239SC..  trans-74.5162.417360.70000112.8D38 P46 H47D38-S44 WeakPolarHBondContact OD1-CA 3.44Å; S44-P46 VanDerWaalsContact C-CD 3.46Å; S44-P46 VanDerWaalsContact C-N 3.33Å; S44-H47 PolarHBondContact N-ND1 2.94Å; S44-H47 VanDerWaalsContact O-CB 3.31Å; S44-H47 WeakPolarHBondContact O-CB 3.39Å; S44-H47 PolarHBondContact O-N 2.98Å; S44-H47 PolarHBondContact O-ND1 2.95Å; S44-H47 PolarHBondContact OG-CE1 3.46Å; S44-H47 PolarHBondContact OG-ND1 2.95Å
45L98.4Very high98.5Very high0 Ų037.7 Ų37.70%022%0.218CC..Hα-helixtrans-48.2-42.6177.7-77.2171.5000115.3L32 Y33 L37 D38 H47 W48 L49 L143 L148L32-L45 HydrophobicContact CB-CD2 3.47Å; L32-L45 VanDerWaalsContact CB-CD2 3.47Å; Y33-L45 HydrophobicContact CD2-CD1 3.81Å; Y33-L45 HydrophobicContact CG-CD1 4.26Å; L37-L45 HydrophobicContact CB-CD2 4.24Å; D38-L45 HydrophobicContact CB-CD1 3.91Å; D38-L45 HydrophobicContact CB-CD2 4.31Å; D38-L45 HydrophobicContact CB-CG 3.59Å; D38-L45 PolarHBondContact OD1-N 3Å; L45-H47 PolarHBondContact O-N 3.07Å; L45-W48 WeakPolarHBondContact O-CB 3.35Å; L45-W48 PolarHBondContact O-N 3.28Å; L45-L49 PolarHBondContact O-N 3.41Å; L45-L143 HydrophobicContact CB-CD1 4.33Å; L45-L143 HydrophobicContact CB-CD2 4.43Å; L45-L148 HydrophobicContact CD1-CD1 3.71Å
46P98.7Very high98.5Very high10 Ų1035.3 Ų35.37%0.06521%0.207CC..Hα-helixtrans-54.9-31.1174.4-31.438000115.5S44 C50 L139 W142 L143S44-P46 VanDerWaalsContact C-CD 3.46Å; S44-P46 VanDerWaalsContact C-N 3.33Å; P46-C50 VanDerWaalsContact O-CB 3.32Å; P46-C50 WeakPolarHBondContact O-CB 3.41Å; P46-C50 PolarHBondContact O-N 3.34Å; P46-L139 HydrophobicContact CB-CB 3.56Å; P46-L139 VanDerWaalsContact CB-O 3.32Å; P46-L139 WeakPolarHBondContact CB-O 3.45Å; P46-W142 HydrophobicContact CB-CB 4.13Å; P46-L143 HydrophobicContact CG-CD1 3.84Å; P46-L143 HydrophobicContact CG-CG 4.05Å
47H98.8Very high98.5Very high45 Ų4534.6 Ų34.621%0.20820%0.198CC..Hα-helixtrans-67.5-40.8176.2-65.793.1000111.4Y43 S44 L45 C50 L51 M124 W130 L139Y43-H47 HydrophobicContact CD1-CB 4.2Å; S44-H47 PolarHBondContact N-ND1 2.94Å; S44-H47 VanDerWaalsContact O-CB 3.31Å; S44-H47 WeakPolarHBondContact O-CB 3.39Å; S44-H47 PolarHBondContact O-N 2.98Å; S44-H47 PolarHBondContact O-ND1 2.95Å; S44-H47 PolarHBondContact OG-CE1 3.46Å; S44-H47 PolarHBondContact OG-ND1 2.95Å; L45-H47 PolarHBondContact O-N 3.07Å; H47-C50 PolarHBondContact O-N 3.17Å; H47-L51 PolarHBondContact O-N 3.2Å; H47-M124 HydrophobicContact CB-CE 4.19Å; H47-M124 HydrophobicContact CB-SD 3.79Å; H47-W130 HydrophobicContact CB-CZ2 4.2Å; H47-W130 AromaticContact CD2-CZ2 3.61Å; H47-W130 PolarHBondContact O-NE1 3.13Å; H47-W130 VanDerWaalsContact O-NE1 3.11Å; H47-L139 HydrophobicContact CB-CD1 4.35Å; H47-L139 VanDerWaalsContact CD2-CD1 3.42Å; H47-L139 WeakPolarHBondContact CD2-CD1 3.49Å
48W98.9Very high98.5Very high0 Ų035.4 Ų35.40%020%0.202CC..Hα-helixtrans-68.2-39.7175.7-65.299.4000112.8L32 L37 F40 L45 C50 L51 A52 F76 A114 V118 M124L32-W48 HydrophobicContact CD1-CB 3.73Å; L37-W48 HydrophobicContact CB-CD2 4.34Å; L37-W48 HydrophobicContact CB-CG 4.28Å; L37-W48 HydrophobicContact CD1-CD2 3.54Å; L37-W48 HydrophobicContact CD1-CE3 3.73Å; L37-W48 HydrophobicContact CD1-CG 4.32Å; L37-W48 HydrophobicContact CD1-CH2 3.4Å; L37-W48 HydrophobicContact CD1-CZ2 3.21Å; L37-W48 HydrophobicContact CD1-CZ3 3.66Å; L37-W48 HydrophobicContact CG-CD2 4.34Å; L37-W48 HydrophobicContact CG-CZ2 4.48Å; L37-W48 PolarHBondContact O-NE1 3.35Å; F40-W48 HydrophobicContact CB-CZ2 4.41Å; F40-W48 HydrophobicContact CD1-CH2 4.45Å; F40-W48 AromaticContact CD1-CZ2 3.86Å; F40-W48 HydrophobicContact CD1-CZ2 3.86Å; F40-W48 HydrophobicContact CG-CZ2 4.49Å; L45-W48 WeakPolarHBondContact O-CB 3.35Å; L45-W48 PolarHBondContact O-N 3.28Å; W48-C50 VanDerWaalsContact C-N 3.34Å; W48-L51 HydrophobicContact CE3-CD2 4.24Å; W48-L51 HydrophobicContact CZ3-CD2 4.42Å; W48-L51 WeakPolarHBondContact O-CB 3.44Å; W48-L51 PolarHBondContact O-N 2.84Å; W48-A52 PolarHBondContact O-N 3.27Å; W48-F76 HydrophobicContact CE3-CE1 4.34Å; W48-F76 HydrophobicContact CE3-CZ 4.26Å; W48-A114 HydrophobicContact CZ3-CB 3.91Å; W48-V118 HydrophobicContact CH2-CB 4.1Å; W48-V118 HydrophobicContact CH2-CG1 4.41Å; W48-V118 HydrophobicContact CH2-CG2 3.61Å; W48-V118 HydrophobicContact CZ2-CG1 4.36Å; W48-V118 HydrophobicContact CZ2-CG2 4.26Å; W48-V118 HydrophobicContact CZ3-CG2 4.2Å; W48-M124 HydrophobicContact CB-CE 4.49Å; W48-M124 HydrophobicContact CD2-CE 3.14Å; W48-M124 HydrophobicContact CE3-CE 3.54Å; W48-M124 HydrophobicContact CG-CE 3.61Å; W48-M124 HydrophobicContact CH2-CE 3.9Å; W48-M124 HydrophobicContact CZ2-CE 3.51Å; W48-M124 HydrophobicContact CZ3-CE 3.9Å
49L98.9Very high98.5Very high0 Ų033.5 Ų33.50%019%0.192CC..Hα-helixtrans-65.7-39.4174.5-67.7173.9000111.7L28 A29 L32 L45 F53 F58 W142 L143L28-L49 HydrophobicContact CB-CD2 4.15Å; L28-L49 HydrophobicContact CD2-CD2 3.76Å; L28-L49 HydrophobicContact CG-CD2 3.83Å; A29-L49 HydrophobicContact CB-CD1 3.84Å; A29-L49 HydrophobicContact CB-CD2 4.12Å; A29-L49 HydrophobicContact CB-CG 4.5Å; L32-L49 HydrophobicContact CD1-CD2 4.1Å; L45-L49 PolarHBondContact O-N 3.41Å; L49-F53 WeakPolarHBondContact O-CB 3.26Å; L49-F53 PolarHBondContact O-N 2.91Å; L49-F53 VanDerWaalsContact O-N 3.08Å; L49-F58 WeakPolarHBondContact O-CE1 3.28Å; L49-W142 HydrophobicContact CB-CB 3.98Å; L49-W142 HydrophobicContact CB-CD2 4.18Å; L49-W142 HydrophobicContact CB-CE3 4.2Å; L49-W142 HydrophobicContact CB-CG 4.11Å; L49-W142 HydrophobicContact CD1-CB 3.89Å; L49-W142 WeakPolarHBondContact CD1-O 3.46Å; L49-L143 HydrophobicContact CD1-CD2 3.84Å; L49-L143 HydrophobicContact CD1-CG 4.42Å
50C98.9Very high98.5Very high3 Ų331.8 Ų31.82%0.0217%0.171CC..Hα-helixtrans-62.3-46.1173.3-167.20000111.1P46 H47 W48 F53 V54 C134 L139P46-C50 VanDerWaalsContact O-CB 3.32Å; P46-C50 WeakPolarHBondContact O-CB 3.41Å; P46-C50 PolarHBondContact O-N 3.34Å; H47-C50 PolarHBondContact O-N 3.17Å; W48-C50 VanDerWaalsContact C-N 3.34Å; C50-F53 PolarHBondContact O-N 2.83Å; C50-V54 WeakPolarHBondContact O-CG1 3.45Å; C50-V54 WeakPolarHBondContact O-CG2 3.46Å; C50-V54 PolarHBondContact O-N 3.43Å; C50-C134 HydrophobicContact CB-CB 3.84Å; C50-C134 WeakPolarHBondContact CB-SG 3.11Å; C50-C134 VanDerWaalsContact SG-CA 3.6Å; C50-C134 WeakPolarHBondContact SG-CB 3.04Å; C50-C134 CovalentContact SG-SG 2.03Å; C50-C134 PolarHBondContact SG-SG 3.31Å; C50-L139 HydrophobicContact CB-CD1 4.06Å; C50-L139 HydrophobicContact CB-CD2 4.15Å
51L98.9Very high98.4Very high0 Ų032 Ų320%018%0.178CC..Hα-helixtrans-52.6-59.1175.1179.761.9000111.6H47 W48 F53 V54 E55 F76 W127 W130H47-L51 PolarHBondContact O-N 3.2Å; W48-L51 HydrophobicContact CE3-CD2 4.24Å; W48-L51 HydrophobicContact CZ3-CD2 4.42Å; W48-L51 WeakPolarHBondContact O-CB 3.44Å; W48-L51 PolarHBondContact O-N 2.84Å; L51-F53 PolarHBondContact O-N 3.21Å; L51-V54 WeakPolarHBondContact O-CG2 3.32Å; L51-V54 PolarHBondContact O-N 3.3Å; L51-E55 HydrophobicContact CD1-CG 3.67Å; L51-E55 HydrophobicContact CG-CG 4.37Å; L51-E55 WeakPolarHBondContact O-CB 3.31Å; L51-E55 WeakPolarHBondContact O-CG 3.32Å; L51-E55 PolarHBondContact O-N 2.96Å; L51-F76 HydrophobicContact CD2-CD1 3.75Å; L51-F76 HydrophobicContact CD2-CE1 4.21Å; L51-F76 HydrophobicContact CD2-CG 4.41Å; L51-F76 HydrophobicContact CG-CD1 3.91Å; L51-F76 HydrophobicContact CG-CE1 4.48Å; L51-W127 HydrophobicContact CD1-CB 3.67Å; L51-W127 HydrophobicContact CD1-CD2 3.75Å; L51-W127 HydrophobicContact CD1-CE3 4.39Å; L51-W127 HydrophobicContact CD1-CG 3.42Å; L51-W127 VanDerWaalsContact CD1-CG 3.42Å; L51-W127 HydrophobicContact CD2-CD2 4.24Å; L51-W127 HydrophobicContact CD2-CE3 4.43Å; L51-W127 HydrophobicContact CD2-CH2 4.4Å; L51-W127 HydrophobicContact CD2-CZ2 4.27Å; L51-W130 HydrophobicContact CB-CG 4.47Å; L51-W130 HydrophobicContact CD1-CB 3.74Å; L51-W130 HydrophobicContact CD1-CG 4.08Å
52A98.9Very high98.4Very high0 Ų029.6 Ų29.60%017%0.166CC..Hα-helixtrans-56.9-36.1-179.900000113.1L28 W48 S56 K57 F58 I75 F76L28-A52 HydrophobicContact CD2-CB 3.7Å; W48-A52 PolarHBondContact O-N 3.27Å; A52-S56 PolarHBondContact O-N 3.42Å; A52-S56 PolarHBondContact O-OG 3.12Å; A52-K57 PolarHBondContact O-N 3.01Å; A52-F58 HydrophobicContact CB-CD1 3.77Å; A52-F58 HydrophobicContact CB-CE1 3.84Å; A52-F58 PolarHBondContact O-N 3.35Å; A52-I75 HydrophobicContact CB-CD1 3.94Å; A52-I75 HydrophobicContact CB-CG1 3.8Å; A52-F76 HydrophobicContact CB-CD1 4.28Å; A52-F76 HydrophobicContact CB-CE1 3.97Å
53F98.8Very high98.4Very high75 Ų7529.5 Ų29.533%0.32915%0.152SC..Hα-helixtrans-73-44.8179.7-178.7-103.1000113.5L49 C50 L51 K57 F58 W142L49-F53 WeakPolarHBondContact O-CB 3.26Å; L49-F53 PolarHBondContact O-N 2.91Å; L49-F53 VanDerWaalsContact O-N 3.08Å; C50-F53 PolarHBondContact O-N 2.83Å; L51-F53 PolarHBondContact O-N 3.21Å; F53-K57 HydrophobicContact CD2-CD 4.19Å; F53-K57 HydrophobicContact CE1-CD 4.23Å; F53-K57 HydrophobicContact CE2-CD 3.74Å; F53-K57 HydrophobicContact CZ-CD 3.76Å; F53-K57 VanDerWaalsContact O-CA 3.27Å; F53-K57 WeakPolarHBondContact O-CA 3.44Å; F53-K57 WeakPolarHBondContact O-CD 3.42Å; F53-K57 PolarHBondContact O-N 3.37Å; F53-K57 PolarHBondContact O-NZ 3.42Å; F53-F58 HydrophobicContact CB-CE1 3.92Å; F53-F58 HydrophobicContact CB-CE2 4.04Å; F53-F58 HydrophobicContact CB-CZ 3.64Å; F53-F58 AromaticContact CD2-CD2 3.87Å; F53-F58 HydrophobicContact CD2-CD2 3.87Å; F53-F58 AromaticContact CD2-CE2 3.53Å; F53-F58 HydrophobicContact CD2-CE2 3.53Å; F53-F58 HydrophobicContact CD2-CZ 4.05Å; F53-F58 HydrophobicContact CE2-CE2 4.44Å; F53-F58 HydrophobicContact CG-CE2 4.2Å; F53-F58 HydrophobicContact CG-CZ 4.27Å; F53-W142 HydrophobicContact CB-CH2 3.48Å; F53-W142 VanDerWaalsContact CB-CH2 3.48Å; F53-W142 HydrophobicContact CB-CZ2 4.04Å; F53-W142 HydrophobicContact CB-CZ3 4.04Å; F53-W142 AromaticContact CD1-CH2 3.49Å; F53-W142 HydrophobicContact CD1-CH2 3.49Å; F53-W142 VanDerWaalsContact CD1-CH2 3.49Å; F53-W142 AromaticContact CD1-CZ2 3.92Å; F53-W142 HydrophobicContact CD1-CZ2 3.92Å; F53-W142 AromaticContact CD2-CH2 3.88Å; F53-W142 HydrophobicContact CD2-CH2 3.88Å; F53-W142 HydrophobicContact CD2-CZ3 4.33Å; F53-W142 HydrophobicContact CE1-CH2 4.15Å; F53-W142 HydrophobicContact CE2-CH2 4.48Å; F53-W142 AromaticContact CG-CH2 3.32Å; F53-W142 HydrophobicContact CG-CH2 3.32Å; F53-W142 HydrophobicContact CG-CZ2 4.07Å; F53-W142 HydrophobicContact CG-CZ3 4.08Å
54V98.6Very high98.3Very high21 Ų2129.7 Ų29.713%0.12716%0.156CC..Hα-helixtrans-68.6-41-177.4-60.20000110.3C50 L51 D129 W130 H133C50-V54 WeakPolarHBondContact O-CG1 3.45Å; C50-V54 WeakPolarHBondContact O-CG2 3.46Å; C50-V54 PolarHBondContact O-N 3.43Å; L51-V54 WeakPolarHBondContact O-CG2 3.32Å; L51-V54 PolarHBondContact O-N 3.3Å; V54-D129 HydrophobicContact CB-CB 4.21Å; V54-D129 HydrophobicContact CG2-CB 3.95Å; V54-W130 HydrophobicContact CG2-CB 4.47Å; V54-H133 HydrophobicContact CG1-CB 3.79Å
55E98.7Very high98.3Very high21 Ų2134.5 Ų34.510%0.09817%0.174CC..Hα-helixtrans-73.5-49.6-177.9-64.9-59.3157.300113L51 K62 Q77 W127L51-E55 HydrophobicContact CD1-CG 3.67Å; L51-E55 HydrophobicContact CG-CG 4.37Å; L51-E55 WeakPolarHBondContact O-CB 3.31Å; L51-E55 WeakPolarHBondContact O-CG 3.32Å; L51-E55 PolarHBondContact O-N 2.96Å; E55-K62 PolarHBondContact O-NZ 3.05Å; E55-Q77 HydrophobicContact CB-CB 4.05Å; E55-Q77 HydrophobicContact CB-CG 3.69Å; E55-Q77 WeakPolarHBondContact O-CG 3.31Å; E55-W127 WeakPolarHBondContact OE1-CB 3.46Å
56S98.3Very high98.2Very high3 Ų336.8 Ų36.82%0.02119%0.187CC..Hα-helixtrans-125.7-3.1-170.887.40000115.8A52 F58 N59 I75A52-S56 PolarHBondContact O-N 3.42Å; A52-S56 PolarHBondContact O-OG 3.12Å; S56-F58 PolarHBondContact O-N 3.48Å; S56-F58 PolarHBondContact OG-N 3.49Å; S56-N59 VanDerWaalsContact CB-O 3.28Å; S56-N59 WeakPolarHBondContact CB-O 3.39Å; S56-N59 WeakPolarHBondContact O-CB 3.41Å; S56-N59 PolarHBondContact O-N 3.42Å; S56-N59 PolarHBondContact OG-N 2.96Å; S56-N59 VanDerWaalsContact OG-N 3.07Å; S56-N59 PolarHBondContact OG-O 2.77Å; S56-I75 WeakPolarHBondContact CB-O 3.48Å; S56-I75 PolarHBondContact OG-O 2.94Å
57K98.1Very high98Very high112 Ų11242.1 Ų42.149%0.48723%0.231SC..THydrogen-bonded Turntrans55.234.7-169.2-55.8-76.3168.6-102.60111.6A52 F53 N59A52-K57 PolarHBondContact O-N 3.01Å; F53-K57 HydrophobicContact CD2-CD 4.19Å; F53-K57 HydrophobicContact CE1-CD 4.23Å; F53-K57 HydrophobicContact CE2-CD 3.74Å; F53-K57 HydrophobicContact CZ-CD 3.76Å; F53-K57 VanDerWaalsContact O-CA 3.27Å; F53-K57 WeakPolarHBondContact O-CA 3.44Å; F53-K57 WeakPolarHBondContact O-CD 3.42Å; F53-K57 PolarHBondContact O-N 3.37Å; F53-K57 PolarHBondContact O-NZ 3.42Å; K57-N59 PolarHBondContact O-N 3.28Å
58F98.3Very high97.7Very high18 Ų1843.9 Ų43.98%0.07924%0.242CC..THydrogen-bonded Turntrans64.816.6-173.6-52.1-57.2000115.2I22 I23 R25 L28 L49 A52 F53 S56 I60 W142I22-F58 WeakPolarHBondContact CA-O 3.37Å; I22-F58 HydrophobicContact CG2-CB 4.38Å; I23-F58 HydrophobicContact CG2-CB 3.94Å; I23-F58 PolarHBondContact N-O 3.38Å; I23-F58 WeakPolarHBondContact O-CB 3.46Å; R25-F58 HydrophobicContact CB-CE2 4.14Å; R25-F58 HydrophobicContact CB-CZ 4.29Å; R25-F58 HydrophobicContact CG-CE2 4.48Å; R25-F58 HydrophobicContact CG-CZ 4.23Å; L28-F58 HydrophobicContact CD2-CD1 3.57Å; L28-F58 HydrophobicContact CD2-CE1 3.7Å; L49-F58 WeakPolarHBondContact O-CE1 3.28Å; A52-F58 HydrophobicContact CB-CD1 3.77Å; A52-F58 HydrophobicContact CB-CE1 3.84Å; A52-F58 PolarHBondContact O-N 3.35Å; F53-F58 HydrophobicContact CB-CE1 3.92Å; F53-F58 HydrophobicContact CB-CE2 4.04Å; F53-F58 HydrophobicContact CB-CZ 3.64Å; F53-F58 AromaticContact CD2-CD2 3.87Å; F53-F58 HydrophobicContact CD2-CD2 3.87Å; F53-F58 AromaticContact CD2-CE2 3.53Å; F53-F58 HydrophobicContact CD2-CE2 3.53Å; F53-F58 HydrophobicContact CD2-CZ 4.05Å; F53-F58 HydrophobicContact CE2-CE2 4.44Å; F53-F58 HydrophobicContact CG-CE2 4.2Å; F53-F58 HydrophobicContact CG-CZ 4.27Å; S56-F58 PolarHBondContact O-N 3.48Å; S56-F58 PolarHBondContact OG-N 3.49Å; F58-I60 PolarHBondContact O-N 3.01Å; F58-W142 AromaticContact CE2-CZ3 3.91Å; F58-W142 HydrophobicContact CE2-CZ3 3.91Å; F58-W142 HydrophobicContact CZ-CE3 4.09Å; F58-W142 HydrophobicContact CZ-CH2 4.32Å; F58-W142 AromaticContact CZ-CZ3 3.55Å; F58-W142 HydrophobicContact CZ-CZ3 3.55Å
59N98.1Very high97.5Very high39 Ų3945.7 Ų45.721%0.20926%0.261CS..BIsolated β-bridgetrans-74.9112.2169.3-172.5-19.6000109.9S21 I22 S56 K57 S61 K62S21-N59 WeakPolarHBondContact CB-OD1 3.48Å; S21-N59 CarbonylContact O-C 3.55Å; S21-N59 VanDerWaalsContact O-CA 3.25Å; S21-N59 WeakPolarHBondContact O-CA 3.32Å; S21-N59 PolarHBondContact O-OD1 3.24Å; S21-N59 PolarHBondContact OG-OD1 3.33Å; I22-N59 HydrophobicContact CD1-CB 3.47Å; I22-N59 VanDerWaalsContact CD1-CB 3.47Å; S56-N59 VanDerWaalsContact CB-O 3.28Å; S56-N59 WeakPolarHBondContact CB-O 3.39Å; S56-N59 WeakPolarHBondContact O-CB 3.41Å; S56-N59 PolarHBondContact O-N 3.42Å; S56-N59 PolarHBondContact OG-N 2.96Å; S56-N59 VanDerWaalsContact OG-N 3.07Å; S56-N59 PolarHBondContact OG-O 2.77Å; K57-N59 PolarHBondContact O-N 3.28Å; N59-S61 VanDerWaalsContact C-N 3.28Å; N59-S61 PolarHBondContact O-N 3.23Å; N59-S61 PolarHBondContact OD1-N 3.42Å; N59-K62 HydrophobicContact CB-CB 3.96Å; N59-K62 PolarHBondContact OD1-N 3.43Å
60I97.9Very high97.4Very high9 Ų945.8 Ų45.85%0.04626%0.262CS..THydrogen-bonded Turntrans-72-20.8-178.758.6152.5000113S21 I23 F58 G74 I75 P105 L107S21-I60 WeakPolarHBondContact O-CG1 3.42Å; S21-I60 PolarHBondContact O-N 2.92Å; I23-I60 HydrophobicContact CB-CG2 3.85Å; I23-I60 HydrophobicContact CG2-CG2 3.79Å; F58-I60 PolarHBondContact O-N 3.01Å; I60-G74 WeakPolarHBondContact O-CA 3.42Å; I60-I75 HydrophobicContact CG2-CD1 4.17Å; I60-P105 HydrophobicContact CD1-CB 4.01Å; I60-P105 HydrophobicContact CD1-CG 4.05Å; I60-L107 HydrophobicContact CB-CD2 4.19Å; I60-L107 HydrophobicContact CG2-CD2 3.82Å
61S96.8Very high97.4Very high50 Ų5047.2 Ų47.235%0.3527%0.268SS..THydrogen-bonded Turntrans-118.522.3-176.1-48.40000112.2N59 V63 L103N59-S61 VanDerWaalsContact C-N 3.28Å; N59-S61 PolarHBondContact O-N 3.23Å; N59-S61 PolarHBondContact OD1-N 3.42Å; S61-V63 PolarHBondContact O-N 3.29Å; S61-L103 PolarHBondContact OG-O 3.48Å
62K97.7Very high97.3Very high65 Ų6548.5 Ų48.528%0.28327%0.274SS..  trans-68.8129.6177-174.5-179.2-179-117.50110.3E55 N59 T64 G74 Q77E55-K62 PolarHBondContact O-NZ 3.05Å; N59-K62 HydrophobicContact CB-CB 3.96Å; N59-K62 PolarHBondContact OD1-N 3.43Å; K62-T64 WeakPolarHBondContact CE-OG1 3.1Å; K62-T64 PolarHBondContact NZ-OG1 3.02Å; K62-T64 VanDerWaalsContact NZ-OG1 3.09Å; K62-G74 PolarHBondContact O-N 3.09Å; K62-Q77 PolarHBondContact O-NE2 3.29Å
63V97.8Very high97.3Very high68 Ų6849.3 Ų49.341%0.41228%0.278SS..EExtended strand (participates in β ladder)trans-116.9131.6167.3-178.10000107.8S61 F71 D72 Y73 L103S61-V63 PolarHBondContact O-N 3.29Å; V63-F71 HydrophobicContact CG1-CB 4.34Å; V63-F71 HydrophobicContact CG1-CD1 3.96Å; V63-D72 WeakPolarHBondContact CA-O 3.32Å; V63-Y73 HydrophobicContact CG1-CD1 4.47Å; V63-Y73 HydrophobicContact CG1-CE1 4.15Å; V63-Y73 HydrophobicContact CG2-CD1 4Å; V63-Y73 HydrophobicContact CG2-CE1 4.17Å; V63-L103 HydrophobicContact CG2-CD1 3.76Å; V63-L103 HydrophobicContact CG2-CD2 3.7Å; V63-L103 HydrophobicContact CG2-CG 4.39Å
64T97.6Very high97.3Very high41 Ų4145.7 Ų45.725%0.25226%0.262SS..EExtended strand (participates in β ladder)trans-122.1127.5175.8-57.10000109.4K62 F71 D72 Q77K62-T64 WeakPolarHBondContact CE-OG1 3.1Å; K62-T64 PolarHBondContact NZ-OG1 3.02Å; K62-T64 VanDerWaalsContact NZ-OG1 3.09Å; T64-F71 CarbonylContact O-C 3.56Å; T64-F71 VanDerWaalsContact O-CA 3.26Å; T64-F71 WeakPolarHBondContact O-CA 3.33Å; T64-D72 PolarHBondContact N-O 3.19Å; T64-D72 PolarHBondContact O-N 2.86Å; T64-Q77 PolarHBondContact OG1-OE1 2.93Å
65E97.1Very high97.3Very high144 Ų14444.7 Ų44.767%0.67326%0.256SS*.EExtended strand (participates in β ladder)trans-82.6132.3171.9-174.8178.8174.600109.7F71E65-F71 HydrophobicContact CB-CD1 3.9Å; E65-F71 HydrophobicContact CB-CE1 3.61Å; E65-F71 HydrophobicContact CB-CZ 4.42Å; E65-F71 HydrophobicContact CG-CD1 4.23Å; E65-F71 HydrophobicContact CG-CE1 3.64Å; E65-F71 HydrophobicContact CG-CZ 3.95Å
66N95.8Very high97.3Very high49 Ų4943.8 Ų43.826%0.26225%0.251SS..  trans-99.7155.2176.4-68.4-52.6000111.2D68 G69 T70 D72 N79N66-D68 WeakPolarHBondContact CB-OD1 3.26Å; N66-D68 PolarHBondContact O-N 3.28Å; N66-G69 PolarHBondContact O-N 3.28Å; N66-T70 WeakPolarHBondContact CB-O 3.25Å; N66-T70 PolarHBondContact N-O 3.12Å; N66-T70 PolarHBondContact ND2-OG1 3.45Å; N66-D72 PolarHBondContact ND2-OD1 3.42Å; N66-D72 PolarHBondContact ND2-OD2 3.04Å; N66-D72 PolarHBondContact OD1-OD2 3.32Å; N66-N79 PolarHBondContact ND2-ND2 3.21Å
67A95Very high97.3Very high121 Ų12144.1 Ų44.1100%125%0.253SS*.THydrogen-bonded Turntrans-61.7-18.3-177.100000114.4G69A67-G69 VanDerWaalsContact C-N 3.34Å
68D93.6Very high97.3Very high82 Ų8238.9 Ų38.944%0.43923%0.23SC..THydrogen-bonded Turntrans-93.510.2178.768.4-5.6000113.6N66 T70 R81N66-D68 WeakPolarHBondContact CB-OD1 3.26Å; N66-D68 PolarHBondContact O-N 3.28Å; D68-T70 VanDerWaalsContact C-N 3.29Å; D68-T70 PolarHBondContact O-N 3.36Å; D68-T70 WeakPolarHBondContact OD1-CB 3.38Å; D68-T70 PolarHBondContact OD1-N 3.28Å; D68-T70 VanDerWaalsContact OD1-N 3.1Å; D68-T70 PolarHBondContact OD1-OG1 3.4Å; D68-R81 VanDerWaalsContact CG-NH2 3.34Å; D68-R81 IonicContact OD2-CZ 2.81Å; D68-R81 IonicContact OD2-NH1 3.88Å; D68-R81 PolarHBondContact OD2-NH1 3.17Å; D68-R81 IonicContact OD2-NH2 3.65Å; D68-R81 PolarHBondContact OD2-NH2 3.2Å
69G93.9Very high97.3Very high39 Ų3939.2 Ų39.240%0.40223%0.232SC..SBendtrans80.53.6178.900000114.6N66 A67N66-G69 PolarHBondContact O-N 3.28Å; A67-G69 VanDerWaalsContact C-N 3.34Å
70T96.7Very high97.3Very high1 Ų137.3 Ų37.31%0.00622%0.223CC..  trans-86.2163.8171.9670000110.9N66 D68 N79 R81N66-T70 WeakPolarHBondContact CB-O 3.25Å; N66-T70 PolarHBondContact N-O 3.12Å; N66-T70 PolarHBondContact ND2-OG1 3.45Å; D68-T70 VanDerWaalsContact C-N 3.29Å; D68-T70 PolarHBondContact O-N 3.36Å; D68-T70 WeakPolarHBondContact OD1-CB 3.38Å; D68-T70 PolarHBondContact OD1-N 3.28Å; D68-T70 VanDerWaalsContact OD1-N 3.1Å; D68-T70 PolarHBondContact OD1-OG1 3.4Å; T70-N79 PolarHBondContact OG1-ND2 2.03Å; T70-N79 VanDerWaalsContact OG1-ND2 3.13Å; T70-R81 HydrophobicContact CG2-CB 3.91Å
71F98.1Very high97.3Very high34 Ų3440.7 Ų40.715%0.14924%0.235CC..EExtended strand (participates in β ladder)trans-124.9145.8177.2-63.5-96.5000111.4V63 T64 E65 Y73 S80 Q88V63-F71 HydrophobicContact CG1-CB 4.34Å; V63-F71 HydrophobicContact CG1-CD1 3.96Å; T64-F71 CarbonylContact O-C 3.56Å; T64-F71 VanDerWaalsContact O-CA 3.26Å; T64-F71 WeakPolarHBondContact O-CA 3.33Å; E65-F71 HydrophobicContact CB-CD1 3.9Å; E65-F71 HydrophobicContact CB-CE1 3.61Å; E65-F71 HydrophobicContact CB-CZ 4.42Å; E65-F71 HydrophobicContact CG-CD1 4.23Å; E65-F71 HydrophobicContact CG-CE1 3.64Å; E65-F71 HydrophobicContact CG-CZ 3.95Å; F71-Y73 HydrophobicContact CB-CD2 4.23Å; F71-Y73 HydrophobicContact CB-CE2 3.33Å; F71-Y73 WeakPolarHBondContact CB-OH 3.47Å; F71-Y73 WeakPolarHBondContact O-CD2 3.21Å; F71-Y73 WeakPolarHBondContact O-CE2 3.39Å; F71-S80 PolarHBondContact N-OG 3.03Å; F71-S80 WeakPolarHBondContact O-CB 3.38Å; F71-S80 PolarHBondContact O-N 3.43Å; F71-S80 PolarHBondContact O-OG 3.02Å; F71-Q88 VanDerWaalsContact CD2-NE2 3.32Å; F71-Q88 VanDerWaalsContact CE2-NE2 3.28Å
72D98.3Very high97.4Very high26 Ų2643.4 Ų43.414%0.13924%0.238CC..EExtended strand (participates in β ladder)trans-107.7132172.8-63.2-34.6000111V63 T64 N66 Q77 N79V63-D72 WeakPolarHBondContact CA-O 3.32Å; T64-D72 PolarHBondContact N-O 3.19Å; T64-D72 PolarHBondContact O-N 2.86Å; N66-D72 PolarHBondContact ND2-OD1 3.42Å; N66-D72 PolarHBondContact ND2-OD2 3.04Å; N66-D72 PolarHBondContact OD1-OD2 3.32Å; D72-Q77 HydrophobicContact CB-CB 3.89Å; D72-N79 WeakPolarHBondContact OD1-CA 3.33Å; D72-N79 WeakPolarHBondContact OD1-CB 3.07Å; D72-N79 PolarHBondContact OD1-ND2 2.96Å
73Y98.5Very high97.4Very high17 Ų1743 Ų437%0.06724%0.235CC..EExtended strand (participates in β ladder)trans-117.4138.5-167.6-66.8-98.7000113.5V63 F71 Q77 I78 D86 Q88 C99 L103V63-Y73 HydrophobicContact CG1-CD1 4.47Å; V63-Y73 HydrophobicContact CG1-CE1 4.15Å; V63-Y73 HydrophobicContact CG2-CD1 4Å; V63-Y73 HydrophobicContact CG2-CE1 4.17Å; F71-Y73 HydrophobicContact CB-CD2 4.23Å; F71-Y73 HydrophobicContact CB-CE2 3.33Å; F71-Y73 WeakPolarHBondContact CB-OH 3.47Å; F71-Y73 WeakPolarHBondContact O-CD2 3.21Å; F71-Y73 WeakPolarHBondContact O-CE2 3.39Å; Y73-Q77 WeakPolarHBondContact O-CA 3.09Å; Y73-Q77 PolarHBondContact O-N 3.11Å; Y73-I78 PolarHBondContact N-O 2.95Å; Y73-I78 PolarHBondContact O-N 3.15Å; Y73-D86 HydrophobicContact CE2-CB 4.15Å; Y73-D86 WeakPolarHBondContact OH-CB 3.47Å; Y73-D86 PolarHBondContact OH-OD2 3.27Å; Y73-Q88 PolarHBondContact OH-NE2 3.08Å; Y73-C99 HydrophobicContact CD1-CB 3.75Å; Y73-C99 HydrophobicContact CD2-CB 3.65Å; Y73-C99 HydrophobicContact CE1-CB 3.79Å; Y73-C99 HydrophobicContact CE2-CB 3.66Å; Y73-C99 HydrophobicContact CG-CB 3.71Å; Y73-L103 HydrophobicContact CD1-CD1 4.1Å; Y73-L103 HydrophobicContact CD1-CD2 4.04Å; Y73-L103 HydrophobicContact CD1-CG 4.16Å
74G98.4Very high97.4Very high0 Ų039.8 Ų39.80%022%0.215CC..THydrogen-bonded Turntrans72.1-165.4164.200000114.6I60 K62 F76 Q77 L102I60-G74 WeakPolarHBondContact O-CA 3.42Å; K62-G74 PolarHBondContact O-N 3.09Å; G74-F76 PolarHBondContact O-N 3.41Å; G74-Q77 PolarHBondContact O-N 3.17Å; G74-Q77 PolarHBondContact O-NE2 3.18Å; G74-L102 WeakPolarHBondContact CA-O 3.26Å
75I98.5Very high97.5Very high0 Ų039.4 Ų39.40%021%0.212CC..THydrogen-bonded Turntrans-61.3-30-170-161.2177.3000114.5I23 L28 A52 S56 I60 L107I23-I75 HydrophobicContact CG2-CD1 3.76Å; L28-I75 HydrophobicContact CD1-CD1 3.71Å; L28-I75 HydrophobicContact CD2-CD1 3.62Å; L28-I75 HydrophobicContact CG-CD1 4.3Å; A52-I75 HydrophobicContact CB-CD1 3.94Å; A52-I75 HydrophobicContact CB-CG1 3.8Å; S56-I75 WeakPolarHBondContact CB-O 3.48Å; S56-I75 PolarHBondContact OG-O 2.94Å; I60-I75 HydrophobicContact CG2-CD1 4.17Å; I75-L107 HydrophobicContact CD1-CD1 4.33Å; I75-L107 HydrophobicContact CG2-CD2 4.29Å
76F98.8Very high97.5Very high1 Ų133.6 Ų33.60%0.00419%0.185CC..THydrogen-bonded Turntrans-104.48.7179.1-58.3-53.8000113.1L32 W48 L51 A52 G74 I78 I111 A114 W127L32-F76 HydrophobicContact CD2-CZ 4.02Å; W48-F76 HydrophobicContact CE3-CE1 4.34Å; W48-F76 HydrophobicContact CE3-CZ 4.26Å; L51-F76 HydrophobicContact CD2-CD1 3.75Å; L51-F76 HydrophobicContact CD2-CE1 4.21Å; L51-F76 HydrophobicContact CD2-CG 4.41Å; L51-F76 HydrophobicContact CG-CD1 3.91Å; L51-F76 HydrophobicContact CG-CE1 4.48Å; A52-F76 HydrophobicContact CB-CD1 4.28Å; A52-F76 HydrophobicContact CB-CE1 3.97Å; G74-F76 PolarHBondContact O-N 3.41Å; F76-I78 HydrophobicContact CB-CD1 4.37Å; F76-I78 HydrophobicContact CB-CG1 4.08Å; F76-I78 PolarHBondContact O-N 2.04Å; F76-I111 HydrophobicContact CE2-CG1 4.17Å; F76-A114 HydrophobicContact CD2-CB 3.63Å; F76-A114 HydrophobicContact CE2-CB 4Å; F76-A114 HydrophobicContact CG-CB 4.23Å; F76-W127 PolarHBondContact O-NE1 3.39Å
77Q98.7Very high97.5Very high10 Ų1038.9 Ų38.95%0.04720%0.203CC..THydrogen-bonded Turntrans47.956.8178.2-64.7-67-100.300112.1E55 K62 T64 D72 Y73 G74E55-Q77 HydrophobicContact CB-CB 4.05Å; E55-Q77 HydrophobicContact CB-CG 3.69Å; E55-Q77 WeakPolarHBondContact O-CG 3.31Å; K62-Q77 PolarHBondContact O-NE2 3.29Å; T64-Q77 PolarHBondContact OG1-OE1 2.93Å; D72-Q77 HydrophobicContact CB-CB 3.89Å; Y73-Q77 WeakPolarHBondContact O-CA 3.09Å; Y73-Q77 PolarHBondContact O-N 3.11Å; G74-Q77 PolarHBondContact O-N 3.17Å; G74-Q77 PolarHBondContact O-NE2 3.18Å
78I98.6Very high97.4Very high3 Ų339 Ų392%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-78.8123.9-176.7-66.1174000109.1Y73 F76 W83 L102 C113 I117Y73-I78 PolarHBondContact N-O 2.95Å; Y73-I78 PolarHBondContact O-N 3.15Å; F76-I78 HydrophobicContact CB-CD1 4.37Å; F76-I78 HydrophobicContact CB-CG1 4.08Å; F76-I78 PolarHBondContact O-N 2.04Å; I78-W83 HydrophobicContact CG2-CB 3.32Å; I78-W83 HydrophobicContact CG2-CG 3.98Å; I78-L102 HydrophobicContact CB-CD1 3.87Å; I78-L102 HydrophobicContact CD1-CD1 4.28Å; I78-L102 HydrophobicContact CD1-CD2 4.26Å; I78-L102 HydrophobicContact CG2-CD1 3.95Å; I78-C113 HydrophobicContact CD1-CB 3.88Å; I78-I117 HydrophobicContact CD1-CD1 4.48Å; I78-I117 HydrophobicContact CG1-CD1 4.16Å; I78-I117 HydrophobicContact CG2-CD1 4.29Å
79N98.1Very high97Very high24 Ų2437.2 Ų37.213%0.12818%0.176CC..EExtended strand (participates in β ladder)trans-76.9131.7-172.8-172-92.2000113.5N66 T70 D72 R81 Y82 W83N66-N79 PolarHBondContact ND2-ND2 3.21Å; T70-N79 PolarHBondContact OG1-ND2 2.03Å; T70-N79 VanDerWaalsContact OG1-ND2 3.13Å; D72-N79 WeakPolarHBondContact OD1-CA 3.33Å; D72-N79 WeakPolarHBondContact OD1-CB 3.07Å; D72-N79 PolarHBondContact OD1-ND2 2.96Å; N79-R81 VanDerWaalsContact C-N 3.31Å; N79-R81 PolarHBondContact O-N 3Å; N79-R81 WeakPolarHBondContact OD1-CA 3.12Å; N79-R81 WeakPolarHBondContact OD1-CB 3.04Å; N79-R81 PolarHBondContact OD1-N 3.14Å; N79-Y82 PolarHBondContact O-N 3.17Å; N79-W83 PolarHBondContact O-N 3.08Å; N79-W83 VanDerWaalsContact O-N 3.1Å
80S98.3Very high96.9Very high0 Ų042 Ų420%019%0.188CC..THydrogen-bonded Turntrans-64.2-23177.842.30000115.1F71 Y82 C84 S91F71-S80 PolarHBondContact N-OG 3.03Å; F71-S80 WeakPolarHBondContact O-CB 3.38Å; F71-S80 PolarHBondContact O-N 3.43Å; F71-S80 PolarHBondContact O-OG 3.02Å; S80-Y82 PolarHBondContact O-N 3.22Å; S80-C84 CarbonylContact C-O 3.56Å; S80-C84 WeakPolarHBondContact CA-O 3.4Å; S80-S91 WeakPolarHBondContact O-CB 3.42Å; S80-S91 PolarHBondContact O-OG 3.06Å
81R97.5Very high97Very high80 Ų8042.9 Ų42.930%0.30219%0.194SC..THydrogen-bonded Turntrans-63.5-34.1178.4-176.7168.1-76.91494112.4D68 T70 N79 S91 E92D68-R81 VanDerWaalsContact CG-NH2 3.34Å; D68-R81 IonicContact OD2-CZ 2.81Å; D68-R81 IonicContact OD2-NH1 3.88Å; D68-R81 PolarHBondContact OD2-NH1 3.17Å; D68-R81 IonicContact OD2-NH2 3.65Å; D68-R81 PolarHBondContact OD2-NH2 3.2Å; T70-R81 HydrophobicContact CG2-CB 3.91Å; N79-R81 VanDerWaalsContact C-N 3.31Å; N79-R81 PolarHBondContact O-N 3Å; N79-R81 WeakPolarHBondContact OD1-CA 3.12Å; N79-R81 WeakPolarHBondContact OD1-CB 3.04Å; N79-R81 PolarHBondContact OD1-N 3.14Å; R81-S91 WeakPolarHBondContact O-CA 3.49Å; R81-E92 PolarHBondContact O-N 3.11Å
82Y97.7Very high97Very high106 Ų10646 Ų4642%0.41621%0.209SC..THydrogen-bonded Turntrans-118.3-39.8-168.1-54.4-67.9000113.2N79 S80 E92 N93 F94N79-Y82 PolarHBondContact O-N 3.17Å; S80-Y82 PolarHBondContact O-N 3.22Å; Y82-E92 HydrophobicContact CD1-CG 4.39Å; Y82-N93 PolarHBondContact O-N 2.77Å; Y82-F94 WeakPolarHBondContact O-CD2 3.42Å; Y82-F94 WeakPolarHBondContact O-CG 3.33Å; Y82-F94 PolarHBondContact O-N 2.95Å
83W98.4Very high96.9Very high57 Ų5746.6 Ų46.622%0.21621%0.212CC..THydrogen-bonded Turntrans-108.2-33.7-156.9-61.6111.3000114.1I78 N79 F94 C95 I117I78-W83 HydrophobicContact CG2-CB 3.32Å; I78-W83 HydrophobicContact CG2-CG 3.98Å; N79-W83 PolarHBondContact O-N 3.08Å; N79-W83 VanDerWaalsContact O-N 3.1Å; W83-F94 HydrophobicContact CE3-CB 3.73Å; W83-F94 HydrophobicContact CE3-CD2 4.16Å; W83-F94 HydrophobicContact CE3-CG 4.44Å; W83-F94 HydrophobicContact CZ3-CB 3.89Å; W83-F94 HydrophobicContact CZ3-CD2 4.13Å; W83-F94 HydrophobicContact CZ3-CG 4.39Å; W83-C95 WeakPolarHBondContact O-CA 3.27Å; W83-C95 WeakPolarHBondContact O-CB 3.27Å; W83-C95 PolarHBondContact O-N 3.47Å; W83-I117 HydrophobicContact CD2-CD1 3.8Å; W83-I117 HydrophobicContact CD2-CG1 3.48Å; W83-I117 VanDerWaalsContact CD2-CG1 3.48Å; W83-I117 HydrophobicContact CE3-CD1 4.31Å; W83-I117 HydrophobicContact CE3-CG1 3.58Å; W83-I117 HydrophobicContact CG-CD1 3.88Å; W83-I117 HydrophobicContact CG-CG1 4.12Å; W83-I117 HydrophobicContact CH2-CB 4.22Å; W83-I117 HydrophobicContact CH2-CG1 3.8Å; W83-I117 HydrophobicContact CH2-CG2 4.36Å; W83-I117 HydrophobicContact CZ2-CB 4.2Å; W83-I117 HydrophobicContact CZ2-CG1 3.7Å; W83-I117 HydrophobicContact CZ2-CG2 3.95Å; W83-I117 HydrophobicContact CZ3-CB 4.49Å; W83-I117 HydrophobicContact CZ3-CG1 3.73Å
84C98.6Very high96.9Very high0 Ų050.6 Ų50.60%023%0.231CC..SBendtrans-137.1162178.663.20000110.2S80 S91 N93 L97 C99 L102S80-C84 CarbonylContact C-O 3.56Å; S80-C84 WeakPolarHBondContact CA-O 3.4Å; C84-S91 PolarHBondContact O-OG 3.32Å; C84-N93 WeakPolarHBondContact CA-OD1 3.22Å; C84-L97 WeakPolarHBondContact CA-O 3.38Å; C84-L97 HydrophobicContact CB-CD1 3.71Å; C84-L97 HydrophobicContact CB-CG 4.27Å; C84-C99 HydrophobicContact CB-CB 3.96Å; C84-C99 WeakPolarHBondContact CB-SG 3.35Å; C84-C99 PolarHBondContact O-SG 3.32Å; C84-C99 VanDerWaalsContact O-SG 3.35Å; C84-C99 VanDerWaalsContact SG-CA 3.5Å; C84-C99 WeakPolarHBondContact SG-CB 3.05Å; C84-C99 CovalentContact SG-SG 2.04Å; C84-C99 PolarHBondContact SG-SG 3.06Å; C84-L102 HydrophobicContact CB-CD1 3.96Å
85N98.4Very high96.9Very high34 Ų3451.4 Ų51.418%0.18224%0.236CC..BIsolated β-bridgetrans-102.8123.1177.6-169.62.8000111.4Y87 N93 L97 D98 C99N85-Y87 WeakPolarHBondContact ND2-CD1 3.02Å; N85-Y87 WeakPolarHBondContact ND2-CE1 3.46Å; N85-Y87 PolarHBondContact OD1-N 3.21Å; N85-N93 HydrophobicContact CB-CB 4.29Å; N85-L97 PolarHBondContact N-O 2.82Å; N85-D98 CarbonylContact O-C 3.45Å; N85-D98 WeakPolarHBondContact O-CA 3.28Å; N85-C99 PolarHBondContact O-N 2.81Å
86D97.6Very high96.9Very high21 Ų2162 Ų6211%0.11228%0.276CS..  trans-103.6-1.3174.572.2-11.7000113.2Y73 Q88 S89 C99Y73-D86 HydrophobicContact CE2-CB 4.15Å; Y73-D86 WeakPolarHBondContact OH-CB 3.47Å; Y73-D86 PolarHBondContact OH-OD2 3.27Å; D86-Q88 PolarHBondContact O-N 2.62Å; D86-Q88 VanDerWaalsContact O-N 3.07Å; D86-Q88 PolarHBondContact OD1-N 2.86Å; D86-Q88 PolarHBondContact OD2-NE2 2.93Å; D86-S89 PolarHBondContact OD1-N 3.06Å; D86-C99 HydrophobicContact CB-CB 4.01Å
87Y96.1Very high96.9Very high161 Ų16162.9 Ų62.963%0.63128%0.28SS*.SBendtrans57.315.7-176.7-52.6-83.1000115N85 D98N85-Y87 WeakPolarHBondContact ND2-CD1 3.02Å; N85-Y87 WeakPolarHBondContact ND2-CE1 3.46Å; N85-Y87 PolarHBondContact OD1-N 3.21Å; Y87-D98 HydrophobicContact CE2-CB 4.48Å; Y87-D98 VanDerWaalsContact CE2-OD1 3.27Å; Y87-D98 WeakPolarHBondContact CE2-OD1 3.18Å; Y87-D98 PolarHBondContact OH-OD1 3.49Å
88Q92.8Very high96.9Very high123 Ų12365.2 Ų65.258%0.57529%0.293SS*.SBendtrans-99.3-31.1176-60.6-174.695.500112.1F71 Y73 D86F71-Q88 VanDerWaalsContact CD2-NE2 3.32Å; F71-Q88 VanDerWaalsContact CE2-NE2 3.28Å; Y73-Q88 PolarHBondContact OH-NE2 3.08Å; D86-Q88 PolarHBondContact O-N 2.62Å; D86-Q88 VanDerWaalsContact O-N 3.07Å; D86-Q88 PolarHBondContact OD1-N 2.86Å; D86-Q88 PolarHBondContact OD2-NE2 2.93Å
89S84.9Confident96.9Very high45 Ų4565.1 Ų65.132%0.31529%0.293SS..SBendtrans-141.5171.7178.769.70000111.7D86 S91D86-S89 PolarHBondContact OD1-N 3.06Å; S89-S91 PolarHBondContact O-N 3.37Å
90H93.1Very high96.9Very high138 Ų13871.4 Ų71.464%0.63932%0.321SS*.  trans-62.8130.4174174.781.2000110.3E92H90-E92 IonicContact CD2-OE1 2.91Å; H90-E92 IonicContact CE1-OE1 2.64Å; H90-E92 IonicContact NE2-OE1 3.11Å; H90-E92 PolarHBondContact NE2-OE1 3.19Å
91S97Very high96.9Very high20 Ų2075.1 Ų75.114%0.1434%0.339CS..  trans-128.9138.1178.2177.40000110.9S80 R81 C84 S89 N93S80-S91 WeakPolarHBondContact O-CB 3.42Å; S80-S91 PolarHBondContact O-OG 3.06Å; R81-S91 WeakPolarHBondContact O-CA 3.49Å; C84-S91 PolarHBondContact O-OG 3.32Å; S89-S91 PolarHBondContact O-N 3.37Å; S91-N93 PolarHBondContact OG-N 2.75Å
92E98Very high96.9Very high99 Ų9971.3 Ų71.346%0.46332%0.324SS..  trans-72-21.6168.7-58.3-58.3137.800112.5R81 Y82 H90 F94R81-E92 PolarHBondContact O-N 3.11Å; Y82-E92 HydrophobicContact CD1-CG 4.39Å; H90-E92 IonicContact CD2-OE1 2.91Å; H90-E92 IonicContact CE1-OE1 2.64Å; H90-E92 IonicContact NE2-OE1 3.11Å; H90-E92 PolarHBondContact NE2-OE1 3.19Å; E92-F94 VanDerWaalsContact C-N 3.33Å; E92-F94 HydrophobicContact CB-CD1 4.35Å; E92-F94 HydrophobicContact CB-CD2 4.05Å; E92-F94 HydrophobicContact CB-CE1 3.97Å; E92-F94 HydrophobicContact CB-CE2 3.63Å; E92-F94 HydrophobicContact CB-CG 4.38Å; E92-F94 HydrophobicContact CB-CZ 3.58Å; E92-F94 HydrophobicContact CG-CE2 4.05Å; E92-F94 HydrophobicContact CG-CZ 3.92Å; E92-F94 PolarHBondContact O-N 3.21Å
93N98.2Very high96.9Very high39 Ų3968.1 Ų68.121%0.20932%0.315CS..  trans4549.8178.1-167.113.6000114.2Y82 C84 N85 S91 C95 R96 L97Y82-N93 PolarHBondContact O-N 2.77Å; C84-N93 WeakPolarHBondContact CA-OD1 3.22Å; N85-N93 HydrophobicContact CB-CB 4.29Å; S91-N93 PolarHBondContact OG-N 2.75Å; N93-C95 PolarHBondContact O-N 3.07Å; N93-R96 PolarHBondContact O-N 3.37Å; N93-R96 WeakPolarHBondContact OD1-CA 3.36Å; N93-R96 PolarHBondContact OD1-N 3.26Å; N93-R96 VanDerWaalsContact OD1-N 3.15Å; N93-L97 PolarHBondContact OD1-N 3.3Å; N93-L97 PolarHBondContact OD1-O 3.2Å; N93-L97 VanDerWaalsContact OD1-O 3.14Å
94F98.4Very high96.7Very high102 Ų10269.2 Ų69.245%0.44732%0.324SS..THydrogen-bonded Turntrans-59.8-32-176.2-68.8-53.1000113.4Y82 W83 E92 R96 M116Y82-F94 WeakPolarHBondContact O-CD2 3.42Å; Y82-F94 WeakPolarHBondContact O-CG 3.33Å; Y82-F94 PolarHBondContact O-N 2.95Å; W83-F94 HydrophobicContact CE3-CB 3.73Å; W83-F94 HydrophobicContact CE3-CD2 4.16Å; W83-F94 HydrophobicContact CE3-CG 4.44Å; W83-F94 HydrophobicContact CZ3-CB 3.89Å; W83-F94 HydrophobicContact CZ3-CD2 4.13Å; W83-F94 HydrophobicContact CZ3-CG 4.39Å; E92-F94 VanDerWaalsContact C-N 3.33Å; E92-F94 HydrophobicContact CB-CD1 4.35Å; E92-F94 HydrophobicContact CB-CD2 4.05Å; E92-F94 HydrophobicContact CB-CE1 3.97Å; E92-F94 HydrophobicContact CB-CE2 3.63Å; E92-F94 HydrophobicContact CB-CG 4.38Å; E92-F94 HydrophobicContact CB-CZ 3.58Å; E92-F94 HydrophobicContact CG-CE2 4.05Å; E92-F94 HydrophobicContact CG-CZ 3.92Å; E92-F94 PolarHBondContact O-N 3.21Å; F94-R96 VanDerWaalsContact C-N 3.29Å; F94-M116 WeakPolarHBondContact O-CE 3.08Å
95C98.5Very high96.5Very high17 Ų1774 Ų7412%0.11536%0.355CS..THydrogen-bonded Turntrans-81.8-6.8176.6-57.30000113.5W83 N93 L97 C113 M116W83-C95 WeakPolarHBondContact O-CA 3.27Å; W83-C95 WeakPolarHBondContact O-CB 3.27Å; W83-C95 PolarHBondContact O-N 3.47Å; N93-C95 PolarHBondContact O-N 3.07Å; C95-L97 HydrophobicContact CB-CD2 3.34Å; C95-L97 HydrophobicContact CB-CG 4.01Å; C95-C113 HydrophobicContact CB-CB 3.67Å; C95-C113 WeakPolarHBondContact CB-SG 3.46Å; C95-C113 WeakPolarHBondContact SG-CA 3.42Å; C95-C113 WeakPolarHBondContact SG-CB 3.47Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 2.99Å; C95-M116 HydrophobicContact CB-SD 4.41Å
96R98.3Very high96.4Very high223 Ų22376.9 Ų76.984%0.84237%0.371SS*.  trans57.448.3176.2-53.8179.5-176.1176.50.7113.4N93 F94N93-R96 PolarHBondContact O-N 3.37Å; N93-R96 WeakPolarHBondContact OD1-CA 3.36Å; N93-R96 PolarHBondContact OD1-N 3.26Å; N93-R96 VanDerWaalsContact OD1-N 3.15Å; F94-R96 VanDerWaalsContact C-N 3.29Å
97L98.4Very high96.4Very high18 Ų1876.1 Ų76.19%0.09437%0.367CS..SBendtrans-145.9158-177.463.3100000111.6C84 N85 N93 C95 E101 L102 C113C84-L97 WeakPolarHBondContact CA-O 3.38Å; C84-L97 HydrophobicContact CB-CD1 3.71Å; C84-L97 HydrophobicContact CB-CG 4.27Å; N85-L97 PolarHBondContact N-O 2.82Å; N93-L97 PolarHBondContact OD1-N 3.3Å; N93-L97 PolarHBondContact OD1-O 3.2Å; N93-L97 VanDerWaalsContact OD1-O 3.14Å; C95-L97 HydrophobicContact CB-CD2 3.34Å; C95-L97 HydrophobicContact CB-CG 4.01Å; L97-E101 HydrophobicContact CD1-CB 4.43Å; L97-L102 HydrophobicContact CD1-CD1 4.03Å; L97-L102 HydrophobicContact CD1-CD2 3.59Å; L97-L102 HydrophobicContact CD1-CG 3.6Å; L97-C113 HydrophobicContact CD2-CB 4.04Å
98D98.2Very high96.5Very high60 Ų6070.9 Ų70.932%0.32135%0.349SS..BIsolated β-bridgetrans-79135.5175.2-68.7-14.9000109.5N85 Y87 E100 E101N85-D98 CarbonylContact O-C 3.45Å; N85-D98 WeakPolarHBondContact O-CA 3.28Å; Y87-D98 HydrophobicContact CE2-CB 4.48Å; Y87-D98 VanDerWaalsContact CE2-OD1 3.27Å; Y87-D98 WeakPolarHBondContact CE2-OD1 3.18Å; Y87-D98 PolarHBondContact OH-OD1 3.49Å; D98-E100 PolarHBondContact O-N 2.86Å; D98-E101 HydrophobicContact CB-CG 4.28Å; D98-E101 PolarHBondContact N-OE1 2.96Å; D98-E101 VanDerWaalsContact O-CB 3.27Å; D98-E101 WeakPolarHBondContact O-CB 3.28Å; D98-E101 PolarHBondContact O-N 3.39Å
99C98.5Very high96.8Very high1 Ų166.3 Ų66.31%0.00733%0.33CS..G310 helixtrans-59.7-24.6-177.6-67.50000112.8Y73 C84 N85 D86 E101 L102Y73-C99 HydrophobicContact CD1-CB 3.75Å; Y73-C99 HydrophobicContact CD2-CB 3.65Å; Y73-C99 HydrophobicContact CE1-CB 3.79Å; Y73-C99 HydrophobicContact CE2-CB 3.66Å; Y73-C99 HydrophobicContact CG-CB 3.71Å; C84-C99 HydrophobicContact CB-CB 3.96Å; C84-C99 WeakPolarHBondContact CB-SG 3.35Å; C84-C99 PolarHBondContact O-SG 3.32Å; C84-C99 VanDerWaalsContact O-SG 3.35Å; C84-C99 VanDerWaalsContact SG-CA 3.5Å; C84-C99 WeakPolarHBondContact SG-CB 3.05Å; C84-C99 CovalentContact SG-SG 2.04Å; C84-C99 PolarHBondContact SG-SG 3.06Å; N85-C99 PolarHBondContact O-N 2.81Å; D86-C99 HydrophobicContact CB-CB 4.01Å; C99-E101 PolarHBondContact O-N 2.99Å; C99-L102 WeakPolarHBondContact O-CB 3.35Å; C99-L102 PolarHBondContact O-N 3.27Å
100E97.6Very high97.4Very high155 Ų15564.2 Ų64.272%0.72432%0.316SS*.G310 helixtrans-62-30.3172.6-65.7-171172.800112.8D98 L102 L103D98-E100 PolarHBondContact O-N 2.86Å; E100-L102 PolarHBondContact O-N 2.95Å; E100-L103 PolarHBondContact O-N 3.04Å; E100-L103 VanDerWaalsContact O-N 3.11Å
101E98.2Very high97.7Very high78 Ų7857.7 Ų57.736%0.36429%0.285SS..G310 helixtrans-62.5-26.8178.1-65-176.2-108.900112.2L97 D98 C99 L103 N104 P109L97-E101 HydrophobicContact CD1-CB 4.43Å; D98-E101 HydrophobicContact CB-CG 4.28Å; D98-E101 PolarHBondContact N-OE1 2.96Å; D98-E101 VanDerWaalsContact O-CB 3.27Å; D98-E101 WeakPolarHBondContact O-CB 3.28Å; D98-E101 PolarHBondContact O-N 3.39Å; C99-E101 PolarHBondContact O-N 2.99Å; E101-L103 VanDerWaalsContact C-N 3.27Å; E101-L103 PolarHBondContact O-N 3.05Å; E101-N104 WeakPolarHBondContact CA-ND2 3.38Å; E101-N104 PolarHBondContact O-ND2 3.33Å; E101-P109 HydrophobicContact CB-CB 4.38Å
102L98.5Very high97.8Very high0 Ų061.6 Ų61.60%030%0.301CS..G310 helixtrans-76.6-12.1-179.9-56.8177.9000113.8G74 I78 C84 L97 C99 E100 P109 S110G74-L102 WeakPolarHBondContact CA-O 3.26Å; I78-L102 HydrophobicContact CB-CD1 3.87Å; I78-L102 HydrophobicContact CD1-CD1 4.28Å; I78-L102 HydrophobicContact CD1-CD2 4.26Å; I78-L102 HydrophobicContact CG2-CD1 3.95Å; C84-L102 HydrophobicContact CB-CD1 3.96Å; L97-L102 HydrophobicContact CD1-CD1 4.03Å; L97-L102 HydrophobicContact CD1-CD2 3.59Å; L97-L102 HydrophobicContact CD1-CG 3.6Å; C99-L102 WeakPolarHBondContact O-CB 3.35Å; C99-L102 PolarHBondContact O-N 3.27Å; E100-L102 PolarHBondContact O-N 2.95Å; L102-P109 HydrophobicContact CD2-CB 4.38Å; L102-S110 WeakPolarHBondContact CA-OG 3.22Å; L102-S110 PolarHBondContact O-OG 3.47Å
103L97.9Very high97.8Very high40 Ų4057 Ų5721%0.20928%0.28CS..G310 helixtrans-92.9-3.2-179.7-55.7179.8000112.8S61 V63 Y73 E100 E101S61-L103 PolarHBondContact OG-O 3.48Å; V63-L103 HydrophobicContact CG2-CD1 3.76Å; V63-L103 HydrophobicContact CG2-CD2 3.7Å; V63-L103 HydrophobicContact CG2-CG 4.39Å; Y73-L103 HydrophobicContact CD1-CD1 4.1Å; Y73-L103 HydrophobicContact CD1-CD2 4.04Å; Y73-L103 HydrophobicContact CD1-CG 4.16Å; E100-L103 PolarHBondContact O-N 3.04Å; E100-L103 VanDerWaalsContact O-N 3.11Å; E101-L103 VanDerWaalsContact C-N 3.27Å; E101-L103 PolarHBondContact O-N 3.05Å
104N93.5Very high97.8Very high79 Ų7955.1 Ų55.142%0.42227%0.27SS..SBendtrans-75.9151.3-176.9-76-52.6000112.9E101 N106E101-N104 WeakPolarHBondContact CA-ND2 3.38Å; E101-N104 PolarHBondContact O-ND2 3.33Å; N104-N106 PolarHBondContact O-N 3.28Å
105P94Very high97.9Very high100 Ų10051.9 Ų51.965%0.64926%0.256SS*.SBendtrans-60.3-24.7169.3-23.934.3000114.4I60 L107I60-P105 HydrophobicContact CD1-CB 4.01Å; I60-P105 HydrophobicContact CD1-CG 4.05Å; P105-L107 PolarHBondContact O-N 2.94Å
106N96Very high97.9Very high96 Ų9655.6 Ų55.651%0.51327%0.272SS..  trans-75.5104.5169.3-17914.8000109.6N104 I108 P109N104-N106 PolarHBondContact O-N 3.28Å; N106-I108 PolarHBondContact O-N 3.31Å; N106-I108 WeakPolarHBondContact OD1-CB 3.21Å; N106-I108 WeakPolarHBondContact OD1-CG1 3.05Å; N106-I108 PolarHBondContact OD1-N 3.1Å; N106-P109 WeakPolarHBondContact O-CD 3.48Å
107L98Very high97.9Very high5 Ų545.1 Ų45.13%0.02623%0.233CC..  trans-78.2-2.4-175.5-61.4-176.9000114.5I23 L28 I31 I60 I75 P105 S110 I111I23-L107 HydrophobicContact CD1-CD1 3.78Å; L28-L107 HydrophobicContact CD1-CD1 3.58Å; I31-L107 HydrophobicContact CD1-CD1 4.28Å; I60-L107 HydrophobicContact CB-CD2 4.19Å; I60-L107 HydrophobicContact CG2-CD2 3.82Å; I75-L107 HydrophobicContact CD1-CD1 4.33Å; I75-L107 HydrophobicContact CG2-CD2 4.29Å; P105-L107 PolarHBondContact O-N 2.94Å; L107-S110 PolarHBondContact O-N 3.46Å; L107-I111 HydrophobicContact CB-CD1 3.9Å; L107-I111 HydrophobicContact CB-CG1 4.3Å; L107-I111 WeakPolarHBondContact O-CB 3.41Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 3.23Å
108I98.5Very high97.9Very high51 Ų5144.5 Ų44.526%0.26223%0.23SC..Hα-helixtrans-57-48-175-61.3-66.5000112.6E35 N106 S110 I111 H112E35-I108 HydrophobicContact CG-CD1 3.76Å; E35-I108 WeakPolarHBondContact OE1-CD1 3.49Å; E35-I108 VanDerWaalsContact OE2-CD1 3.26Å; E35-I108 WeakPolarHBondContact OE2-CD1 3.09Å; N106-I108 PolarHBondContact O-N 3.31Å; N106-I108 WeakPolarHBondContact OD1-CB 3.21Å; N106-I108 WeakPolarHBondContact OD1-CG1 3.05Å; N106-I108 PolarHBondContact OD1-N 3.1Å; I108-S110 PolarHBondContact O-N 3.02Å; I108-I111 PolarHBondContact O-N 3.2Å; I108-H112 PolarHBondContact O-CD2 3.26Å; I108-H112 PolarHBondContact O-N 2.83Å
109P98.6Very high97.9Very high26 Ų2644.7 Ų44.717%0.16924%0.236CC..Hα-helixtrans-59.3-43.9175.6-23.935.7000112.7E101 L102 N106 I111 H112 C113E101-P109 HydrophobicContact CB-CB 4.38Å; L102-P109 HydrophobicContact CD2-CB 4.38Å; N106-P109 WeakPolarHBondContact O-CD 3.48Å; P109-I111 PolarHBondContact O-N 3.41Å; P109-H112 PolarHBondContact O-N 3.42Å; P109-C113 WeakPolarHBondContact O-CB 3.5Å; P109-C113 PolarHBondContact O-N 3.01Å
110S98.8Very high97.8Very high2 Ų246.3 Ų46.31%0.01425%0.253CS..Hα-helixtrans-62.7-40.8177.9-53.70000112.4L102 L107 I108 A114L102-S110 WeakPolarHBondContact CA-OG 3.22Å; L102-S110 PolarHBondContact O-OG 3.47Å; L107-S110 PolarHBondContact O-N 3.46Å; I108-S110 PolarHBondContact O-N 3.02Å; S110-A114 VanDerWaalsContact O-CB 3.26Å; S110-A114 WeakPolarHBondContact O-CB 3.42Å; S110-A114 PolarHBondContact O-N 3.21Å
111I98.9Very high97.6Very high0 Ų044.2 Ų44.20%026%0.255CS..Hα-helixtrans-68-46.6177.7-71.7168.2000111I31 L32 E35 L37 F76 L107 I108 P109 C113 A114 K115I31-I111 HydrophobicContact CG2-CD1 3.75Å; L32-I111 HydrophobicContact CD2-CD1 3.91Å; L32-I111 HydrophobicContact CD2-CG1 3.94Å; E35-I111 HydrophobicContact CB-CD1 4.29Å; E35-I111 HydrophobicContact CB-CG2 4.04Å; E35-I111 HydrophobicContact CG-CD1 3.9Å; E35-I111 HydrophobicContact CG-CG2 4.49Å; L37-I111 HydrophobicContact CD1-CG2 4.34Å; L37-I111 HydrophobicContact CD2-CG2 3.68Å; L37-I111 HydrophobicContact CG-CG2 4.3Å; F76-I111 HydrophobicContact CE2-CG1 4.17Å; L107-I111 HydrophobicContact CB-CD1 3.9Å; L107-I111 HydrophobicContact CB-CG1 4.3Å; L107-I111 WeakPolarHBondContact O-CB 3.41Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 3.23Å; I108-I111 PolarHBondContact O-N 3.2Å; P109-I111 PolarHBondContact O-N 3.41Å; I111-C113 PolarHBondContact O-N 3.18Å; I111-A114 PolarHBondContact O-N 3.35Å; I111-K115 WeakPolarHBondContact O-CG 3.41Å; I111-K115 PolarHBondContact O-N 3.24Å
112H98.7Very high97.5Very high103 Ų10342.7 Ų42.748%0.47726%0.26SS..Hα-helixtrans-61-45.7177.9-92.1-81.7000112I108 P109 K115 M116I108-H112 PolarHBondContact O-CD2 3.26Å; I108-H112 PolarHBondContact O-N 2.83Å; P109-H112 PolarHBondContact O-N 3.42Å; H112-K115 WeakPolarHBondContact O-CB 3.35Å; H112-K115 PolarHBondContact O-N 2.87Å; H112-M116 PolarHBondContact O-N 3.25Å; H112-M116 VanDerWaalsContact O-N 3.09Å
113C98.8Very high97.5Very high1 Ų143 Ų431%0.00726%0.263CS..Hα-helixtrans-65.4-43.2178.3-171.90000111.3I78 C95 L97 P109 I111 K115 M116 I117I78-C113 HydrophobicContact CD1-CB 3.88Å; C95-C113 HydrophobicContact CB-CB 3.67Å; C95-C113 WeakPolarHBondContact CB-SG 3.46Å; C95-C113 WeakPolarHBondContact SG-CA 3.42Å; C95-C113 WeakPolarHBondContact SG-CB 3.47Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 2.99Å; L97-C113 HydrophobicContact CD2-CB 4.04Å; P109-C113 WeakPolarHBondContact O-CB 3.5Å; P109-C113 PolarHBondContact O-N 3.01Å; I111-C113 PolarHBondContact O-N 3.18Å; C113-K115 VanDerWaalsContact C-N 3.32Å; C113-K115 PolarHBondContact O-N 3.1Å; C113-M116 WeakPolarHBondContact O-CB 3.49Å; C113-M116 PolarHBondContact O-N 2.89Å; C113-M116 VanDerWaalsContact O-N 3.08Å; C113-I117 WeakPolarHBondContact O-CG1 3.45Å; C113-I117 PolarHBondContact O-N 2.04Å
114A98.8Very high97.5Very high0 Ų041 Ų410%025%0.253CS..Hα-helixtrans-62-37.1175.700000112.9W48 F76 S110 I111 I117 V118 W127W48-A114 HydrophobicContact CZ3-CB 3.91Å; F76-A114 HydrophobicContact CD2-CB 3.63Å; F76-A114 HydrophobicContact CE2-CB 4Å; F76-A114 HydrophobicContact CG-CB 4.23Å; S110-A114 VanDerWaalsContact O-CB 3.26Å; S110-A114 WeakPolarHBondContact O-CB 3.42Å; S110-A114 PolarHBondContact O-N 3.21Å; I111-A114 PolarHBondContact O-N 3.35Å; A114-I117 PolarHBondContact O-N 2.72Å; A114-V118 WeakPolarHBondContact O-CB 3.44Å; A114-V118 VanDerWaalsContact O-CG2 3.32Å; A114-V118 WeakPolarHBondContact O-CG2 3.49Å; A114-V118 PolarHBondContact O-N 2.95Å; A114-W127 HydrophobicContact CB-CH2 4.4Å; A114-W127 HydrophobicContact CB-CZ2 4.47Å
115K98.8Very high97.7Very high35 Ų3542.4 Ų42.415%0.15226%0.255CS..Hα-helixtrans-58.4-45.5170.6-78.4-176.4176.2179.60111.8E35 L37 F40 I111 H112 C113 I117 V118 S119E35-K115 WeakPolarHBondContact O-CE 3.38Å; E35-K115 PolarHBondContact O-NZ 3.5Å; L37-K115 HydrophobicContact CD1-CG 4.13Å; L37-K115 HydrophobicContact CD2-CD 4.48Å; F40-K115 HydrophobicContact CD1-CG 4.23Å; F40-K115 HydrophobicContact CD2-CD 4.27Å; F40-K115 HydrophobicContact CD2-CG 4.37Å; F40-K115 HydrophobicContact CE1-CB 3.86Å; F40-K115 HydrophobicContact CE1-CG 3.82Å; F40-K115 HydrophobicContact CE2-CB 4.33Å; F40-K115 HydrophobicContact CE2-CD 3.86Å; F40-K115 HydrophobicContact CE2-CG 3.99Å; F40-K115 HydrophobicContact CG-CG 4.48Å; F40-K115 HydrophobicContact CZ-CB 3.64Å; F40-K115 HydrophobicContact CZ-CD 4.03Å; F40-K115 HydrophobicContact CZ-CG 3.69Å; I111-K115 WeakPolarHBondContact O-CG 3.41Å; I111-K115 PolarHBondContact O-N 3.24Å; H112-K115 WeakPolarHBondContact O-CB 3.35Å; H112-K115 PolarHBondContact O-N 2.87Å; C113-K115 VanDerWaalsContact C-N 3.32Å; C113-K115 PolarHBondContact O-N 3.1Å; K115-I117 VanDerWaalsContact C-N 3.32Å; K115-I117 PolarHBondContact O-N 3.35Å; K115-V118 PolarHBondContact O-N 2.78Å; K115-S119 PolarHBondContact O-N 3.34Å; K115-S119 PolarHBondContact O-OG 3.27Å
116M98.6Very high97.9Very high94 Ų9441.6 Ų41.646%0.46325%0.246SC..Hα-helixtrans-59.9-42.2177.3-71.6-176.15500112.4F94 C95 H112 C113 G120F94-M116 WeakPolarHBondContact O-CE 3.08Å; C95-M116 HydrophobicContact CB-SD 4.41Å; H112-M116 PolarHBondContact O-N 3.25Å; H112-M116 VanDerWaalsContact O-N 3.09Å; C113-M116 WeakPolarHBondContact O-CB 3.49Å; C113-M116 PolarHBondContact O-N 2.89Å; C113-M116 VanDerWaalsContact O-N 3.08Å; M116-G120 PolarHBondContact O-N 3.05Å
117I98.6Very high98Very high4 Ų437.8 Ų37.82%0.02122%0.224CC..Hα-helixtrans-62.6-44.9175.6-58.2170.3000110.4I78 W83 C113 A114 K115 G120 N126 W127I78-I117 HydrophobicContact CD1-CD1 4.48Å; I78-I117 HydrophobicContact CG1-CD1 4.16Å; I78-I117 HydrophobicContact CG2-CD1 4.29Å; W83-I117 HydrophobicContact CD2-CD1 3.8Å; W83-I117 HydrophobicContact CD2-CG1 3.48Å; W83-I117 VanDerWaalsContact CD2-CG1 3.48Å; W83-I117 HydrophobicContact CE3-CD1 4.31Å; W83-I117 HydrophobicContact CE3-CG1 3.58Å; W83-I117 HydrophobicContact CG-CD1 3.88Å; W83-I117 HydrophobicContact CG-CG1 4.12Å; W83-I117 HydrophobicContact CH2-CB 4.22Å; W83-I117 HydrophobicContact CH2-CG1 3.8Å; W83-I117 HydrophobicContact CH2-CG2 4.36Å; W83-I117 HydrophobicContact CZ2-CB 4.2Å; W83-I117 HydrophobicContact CZ2-CG1 3.7Å; W83-I117 HydrophobicContact CZ2-CG2 3.95Å; W83-I117 HydrophobicContact CZ3-CB 4.49Å; W83-I117 HydrophobicContact CZ3-CG1 3.73Å; C113-I117 WeakPolarHBondContact O-CG1 3.45Å; C113-I117 PolarHBondContact O-N 2.04Å; A114-I117 PolarHBondContact O-N 2.72Å; K115-I117 VanDerWaalsContact C-N 3.32Å; K115-I117 PolarHBondContact O-N 3.35Å; I117-G120 PolarHBondContact O-N 2.9Å; I117-G120 VanDerWaalsContact O-N 3.12Å; I117-N126 HydrophobicContact CG2-CB 4.13Å; I117-W127 HydrophobicContact CB-CH2 3.56Å; I117-W127 HydrophobicContact CB-CZ2 4.28Å; I117-W127 HydrophobicContact CB-CZ3 4.11Å; I117-W127 HydrophobicContact CD1-CH2 3.89Å; I117-W127 HydrophobicContact CD1-CZ2 3.7Å; I117-W127 HydrophobicContact CG1-CH2 4.3Å; I117-W127 HydrophobicContact CG2-CE3 4.32Å; I117-W127 HydrophobicContact CG2-CH2 3.36Å; I117-W127 HydrophobicContact CG2-CZ2 4.06Å; I117-W127 HydrophobicContact CG2-CZ3 3.49Å; I117-W127 VanDerWaalsContact CG2-CZ3 3.49Å
118V98.6Very high98Very high4 Ų441.3 Ų41.32%0.02425%0.246CC..Hα-helixtrans-71.2-32.1-176.9172.40000112.9F40 E41 Y43 W48 A114 K115 G120 G123 M124 W127F40-V118 HydrophobicContact CD1-CG1 4.1Å; F40-V118 HydrophobicContact CE1-CB 4.23Å; F40-V118 HydrophobicContact CE1-CG1 4.1Å; E41-V118 HydrophobicContact CB-CG1 3.82Å; E41-V118 HydrophobicContact CG-CG1 4.05Å; Y43-V118 HydrophobicContact CD2-CG1 3.69Å; Y43-V118 HydrophobicContact CE2-CG1 3.73Å; W48-V118 HydrophobicContact CH2-CB 4.1Å; W48-V118 HydrophobicContact CH2-CG1 4.41Å; W48-V118 HydrophobicContact CH2-CG2 3.61Å; W48-V118 HydrophobicContact CZ2-CG1 4.36Å; W48-V118 HydrophobicContact CZ2-CG2 4.26Å; W48-V118 HydrophobicContact CZ3-CG2 4.2Å; A114-V118 WeakPolarHBondContact O-CB 3.44Å; A114-V118 VanDerWaalsContact O-CG2 3.32Å; A114-V118 WeakPolarHBondContact O-CG2 3.49Å; A114-V118 PolarHBondContact O-N 2.95Å; K115-V118 PolarHBondContact O-N 2.78Å; V118-G120 PolarHBondContact O-N 2.98Å; V118-G123 WeakPolarHBondContact O-CA 3.1Å; V118-M124 HydrophobicContact CG1-CG 4.49Å; V118-M124 HydrophobicContact CG2-CG 3.78Å; V118-W127 HydrophobicContact CG2-CH2 3.93Å; V118-W127 HydrophobicContact CG2-CZ3 3.63Å
119S98.4Very high98Very high64 Ų6442 Ų4245%0.44825%0.25SS..Hα-helixtrans-72.7-13.8170.9-68.60000113F40 E41 K115F40-S119 WeakPolarHBondContact CZ-OG 3.04Å; E41-S119 WeakPolarHBondContact OE1-CB 3.08Å; E41-S119 PolarHBondContact OE1-OG 2.94Å; K115-S119 PolarHBondContact O-N 3.34Å; K115-S119 PolarHBondContact O-OG 3.27Å
120G96.3Very high98Very high35 Ų3540.9 Ų40.936%0.36124%0.242SC..SBendtrans-75.2176.3173.700000113.6M116 I117 V118 G122 G123M116-G120 PolarHBondContact O-N 3.05Å; I117-G120 PolarHBondContact O-N 2.9Å; I117-G120 VanDerWaalsContact O-N 3.12Å; V118-G120 PolarHBondContact O-N 2.98Å; G120-G122 PolarHBondContact O-N 3.05Å; G120-G123 PolarHBondContact O-N 2.64Å
121S94.5Very high97.9Very high112 Ų11246.6 Ų46.678%0.78326%0.264SS*.THydrogen-bonded Turntrans-59.6127.3176.357.90000111.3N126S121-N126 PolarHBondContact O-ND2 2.84Å
122G95.1Very high97.9Very high45 Ų4551.6 Ų51.646%0.46429%0.29SS..THydrogen-bonded Turntrans95.4-15.3176.200000115.2G120 M124 K125G120-G122 PolarHBondContact O-N 3.05Å; G122-M124 PolarHBondContact O-N 2.84Å; G122-K125 WeakPolarHBondContact O-CB 3.34Å; G122-K125 WeakPolarHBondContact O-CG 3.43Å; G122-K125 PolarHBondContact O-N 3Å
123G97.8Very high97.9Very high6 Ų652.1 Ų52.16%0.06229%0.292CS..G310 helixtrans56-135.8178.200000113V118 G120 K125 N126V118-G123 WeakPolarHBondContact O-CA 3.1Å; G120-G123 PolarHBondContact O-N 2.64Å; G123-K125 PolarHBondContact O-N 2.82Å; G123-K125 VanDerWaalsContact O-N 3.1Å; G123-N126 PolarHBondContact O-N 3.09Å; G123-N126 PolarHBondContact O-ND2 3.21Å
124M98.5Very high97.9Very high0 Ų052 Ų520%029%0.292CS..G310 helixtrans-65.9-10176.6-68.9-172.4174.900114.3Y43 H47 W48 V118 G122 N126 W127 W130Y43-M124 HydrophobicContact CD1-CB 4.45Å; Y43-M124 HydrophobicContact CD1-CE 4.27Å; Y43-M124 HydrophobicContact CD1-CG 4.05Å; Y43-M124 HydrophobicContact CD1-SD 3.55Å; Y43-M124 VanDerWaalsContact CD1-SD 3.55Å; Y43-M124 HydrophobicContact CD2-CE 4.25Å; Y43-M124 HydrophobicContact CD2-CG 4.02Å; Y43-M124 HydrophobicContact CD2-SD 4.25Å; Y43-M124 HydrophobicContact CE1-CB 3.91Å; Y43-M124 HydrophobicContact CE1-CG 3.96Å; Y43-M124 HydrophobicContact CE1-SD 3.96Å; Y43-M124 HydrophobicContact CE2-CB 4.3Å; Y43-M124 HydrophobicContact CE2-CG 3.93Å; Y43-M124 HydrophobicContact CG-CE 3.82Å; Y43-M124 HydrophobicContact CG-CG 4.06Å; Y43-M124 HydrophobicContact CG-SD 3.69Å; Y43-M124 PolarHBondContact OH-N 2.97Å; H47-M124 HydrophobicContact CB-CE 4.19Å; H47-M124 HydrophobicContact CB-SD 3.79Å; W48-M124 HydrophobicContact CB-CE 4.49Å; W48-M124 HydrophobicContact CD2-CE 3.14Å; W48-M124 HydrophobicContact CE3-CE 3.54Å; W48-M124 HydrophobicContact CG-CE 3.61Å; W48-M124 HydrophobicContact CH2-CE 3.9Å; W48-M124 HydrophobicContact CZ2-CE 3.51Å; W48-M124 HydrophobicContact CZ3-CE 3.9Å; V118-M124 HydrophobicContact CG1-CG 4.49Å; V118-M124 HydrophobicContact CG2-CG 3.78Å; G122-M124 PolarHBondContact O-N 2.84Å; M124-N126 PolarHBondContact O-N 3.06Å; M124-W127 PolarHBondContact O-N 2.81Å; M124-W130 HydrophobicContact CB-CD2 3.64Å; M124-W130 HydrophobicContact CB-CE3 3.71Å; M124-W130 HydrophobicContact CB-CG 4.32Å; M124-W130 HydrophobicContact CB-CH2 3.86Å; M124-W130 HydrophobicContact CB-CZ2 3.7Å; M124-W130 HydrophobicContact CB-CZ3 3.84Å; M124-W130 HydrophobicContact CG-CZ2 4.26Å; M124-W130 HydrophobicContact SD-CD2 4.36Å; M124-W130 HydrophobicContact SD-CH2 4.5Å; M124-W130 HydrophobicContact SD-CZ2 3.54Å; M124-W130 VanDerWaalsContact SD-CZ2 3.54Å; M124-W130 PolarHBondContact SD-NE1 3.47Å; M124-W130 VanDerWaalsContact SD-NE1 3.41Å
125K97.9Very high97.9Very high107 Ų10755.8 Ų55.847%0.46531%0.311SS..G310 helixtrans-72-8.6177-56.5173.1-177.4171.30113.1G122 G123 W127 W130G122-K125 WeakPolarHBondContact O-CB 3.34Å; G122-K125 WeakPolarHBondContact O-CG 3.43Å; G122-K125 PolarHBondContact O-N 3Å; G123-K125 PolarHBondContact O-N 2.82Å; G123-K125 VanDerWaalsContact O-N 3.1Å; K125-W127 PolarHBondContact O-N 3.01Å; K125-W130 HydrophobicContact CG-CZ3 4.2Å
126N97.4Very high97.8Very high84 Ų8457.8 Ų57.845%0.44934%0.342SS..G310 helixtrans-65.9-24.3170.5-73.5-60.3000112.2I117 S121 G123 M124I117-N126 HydrophobicContact CG2-CB 4.13Å; S121-N126 PolarHBondContact O-ND2 2.84Å; G123-N126 PolarHBondContact O-N 3.09Å; G123-N126 PolarHBondContact O-ND2 3.21Å; M124-N126 PolarHBondContact O-N 3.06Å
127W98.4Very high97.7Very high16 Ų1661 Ų616%0.06135%0.349CS..SBendtrans-88.3115.8171-71.5-91.3000110.5L51 E55 F76 A114 I117 V118 M124 K125 W130 R131L51-W127 HydrophobicContact CD1-CB 3.67Å; L51-W127 HydrophobicContact CD1-CD2 3.75Å; L51-W127 HydrophobicContact CD1-CE3 4.39Å; L51-W127 HydrophobicContact CD1-CG 3.42Å; L51-W127 VanDerWaalsContact CD1-CG 3.42Å; L51-W127 HydrophobicContact CD2-CD2 4.24Å; L51-W127 HydrophobicContact CD2-CE3 4.43Å; L51-W127 HydrophobicContact CD2-CH2 4.4Å; L51-W127 HydrophobicContact CD2-CZ2 4.27Å; E55-W127 WeakPolarHBondContact OE1-CB 3.46Å; F76-W127 PolarHBondContact O-NE1 3.39Å; A114-W127 HydrophobicContact CB-CH2 4.4Å; A114-W127 HydrophobicContact CB-CZ2 4.47Å; I117-W127 HydrophobicContact CB-CH2 3.56Å; I117-W127 HydrophobicContact CB-CZ2 4.28Å; I117-W127 HydrophobicContact CB-CZ3 4.11Å; I117-W127 HydrophobicContact CD1-CH2 3.89Å; I117-W127 HydrophobicContact CD1-CZ2 3.7Å; I117-W127 HydrophobicContact CG1-CH2 4.3Å; I117-W127 HydrophobicContact CG2-CE3 4.32Å; I117-W127 HydrophobicContact CG2-CH2 3.36Å; I117-W127 HydrophobicContact CG2-CZ2 4.06Å; I117-W127 HydrophobicContact CG2-CZ3 3.49Å; I117-W127 VanDerWaalsContact CG2-CZ3 3.49Å; V118-W127 HydrophobicContact CG2-CH2 3.93Å; V118-W127 HydrophobicContact CG2-CZ3 3.63Å; M124-W127 PolarHBondContact O-N 2.81Å; K125-W127 PolarHBondContact O-N 3.01Å; W127-W130 HydrophobicContact CB-CB 3.72Å; W127-W130 PolarHBondContact O-N 3.31Å; W127-R131 PolarHBondContact O-N 3.43Å
128V97.6Very high97.7Very high79 Ų7965.7 Ų65.748%0.47938%0.379SS..Hα-helixtrans-64.1-46-175.7176.10000110.9W130 R131 L132V128-W130 PolarHBondContact O-N 2.87Å; V128-R131 WeakPolarHBondContact O-CB 3.48Å; V128-R131 PolarHBondContact O-N 2.73Å; V128-L132 HydrophobicContact CG1-CD1 4.01Å; V128-L132 WeakPolarHBondContact O-CG 3.41Å; V128-L132 PolarHBondContact O-N 2.85Å
129D98.3Very high97.6Very high66 Ų6665.9 Ų65.935%0.35338%0.38SS..Hα-helixtrans-67.1-39.5-178.9-73.3-24.3000111.4V54 R131 L132 H133V54-D129 HydrophobicContact CB-CB 4.21Å; V54-D129 HydrophobicContact CG2-CB 3.95Å; D129-R131 VanDerWaalsContact C-N 3.33Å; D129-R131 PolarHBondContact O-N 3.42Å; D129-L132 PolarHBondContact O-N 3.42Å; D129-H133 WeakPolarHBondContact O-CB 3.27Å; D129-H133 PolarHBondContact O-CD2 2.78Å; D129-H133 VanDerWaalsContact O-CD2 3.25Å; D129-H133 PolarHBondContact O-N 2.93Å
130W98.7Very high97.6Very high1 Ų167.3 Ų67.30%0.00439%0.39CS..Hα-helixtrans-58.6-44.7172.2-174.192.8000112.3Y43 H47 L51 V54 M124 K125 W127 V128 L132 H133 C134 L135Y43-W130 HydrophobicContact CD1-CH2 4.28Å; Y43-W130 HydrophobicContact CD1-CZ2 4.02Å; Y43-W130 AromaticContact CE1-CH2 3.6Å; Y43-W130 HydrophobicContact CE1-CH2 3.6Å; Y43-W130 AromaticContact CE1-CZ2 3.78Å; Y43-W130 HydrophobicContact CE1-CZ2 3.78Å; H47-W130 HydrophobicContact CB-CZ2 4.2Å; H47-W130 AromaticContact CD2-CZ2 3.61Å; H47-W130 PolarHBondContact O-NE1 3.13Å; H47-W130 VanDerWaalsContact O-NE1 3.11Å; L51-W130 HydrophobicContact CB-CG 4.47Å; L51-W130 HydrophobicContact CD1-CB 3.74Å; L51-W130 HydrophobicContact CD1-CG 4.08Å; V54-W130 HydrophobicContact CG2-CB 4.47Å; M124-W130 HydrophobicContact CB-CD2 3.64Å; M124-W130 HydrophobicContact CB-CE3 3.71Å; M124-W130 HydrophobicContact CB-CG 4.32Å; M124-W130 HydrophobicContact CB-CH2 3.86Å; M124-W130 HydrophobicContact CB-CZ2 3.7Å; M124-W130 HydrophobicContact CB-CZ3 3.84Å; M124-W130 HydrophobicContact CG-CZ2 4.26Å; M124-W130 HydrophobicContact SD-CD2 4.36Å; M124-W130 HydrophobicContact SD-CH2 4.5Å; M124-W130 HydrophobicContact SD-CZ2 3.54Å; M124-W130 VanDerWaalsContact SD-CZ2 3.54Å; M124-W130 PolarHBondContact SD-NE1 3.47Å; M124-W130 VanDerWaalsContact SD-NE1 3.41Å; K125-W130 HydrophobicContact CG-CZ3 4.2Å; W127-W130 HydrophobicContact CB-CB 3.72Å; W127-W130 PolarHBondContact O-N 3.31Å; V128-W130 PolarHBondContact O-N 2.87Å; W130-L132 VanDerWaalsContact C-N 3.27Å; W130-L132 PolarHBondContact O-N 3.36Å; W130-H133 PolarHBondContact O-N 2.75Å; W130-C134 HydrophobicContact CD2-CB 3.94Å; W130-C134 HydrophobicContact CG-CB 3.87Å; W130-C134 HydrophobicContact CZ2-CB 4.43Å; W130-C134 WeakPolarHBondContact O-CA 3.37Å; W130-C134 VanDerWaalsContact O-CB 3.22Å; W130-C134 WeakPolarHBondContact O-CB 3.42Å; W130-C134 PolarHBondContact O-N 2.92Å; W130-L135 HydrophobicContact CE3-CB 4.44Å; W130-L135 HydrophobicContact CH2-CB 4.3Å; W130-L135 HydrophobicContact CH2-CD1 3.92Å; W130-L135 HydrophobicContact CZ3-CB 3.88Å; W130-L135 HydrophobicContact CZ3-CD1 3.93Å; W130-L135 HydrophobicContact CZ3-CG 4.37Å; W130-L135 PolarHBondContact O-N 2.89Å
131R98.2Very high97.6Very high123 Ų12371.7 Ų71.746%0.46440%0.397SS..Hα-helixtrans-61.8-36.4178.4-177.1176.263.9-174-1.7112W127 V128 D129 L135W127-R131 PolarHBondContact O-N 3.43Å; V128-R131 WeakPolarHBondContact O-CB 3.48Å; V128-R131 PolarHBondContact O-N 2.73Å; D129-R131 VanDerWaalsContact C-N 3.33Å; D129-R131 PolarHBondContact O-N 3.42Å; R131-L135 HydrophobicContact CG-CD2 4.19Å; R131-L135 WeakPolarHBondContact O-CB 3.48Å
132L98.5Very high97.8Very high104 Ų10467.3 Ų67.355%0.54536%0.363SS..Hα-helixtrans-78.5-36.4-179.1-68.2174.5000113V128 D129 W130V128-L132 HydrophobicContact CG1-CD1 4.01Å; V128-L132 WeakPolarHBondContact O-CG 3.41Å; V128-L132 PolarHBondContact O-N 2.85Å; D129-L132 PolarHBondContact O-N 3.42Å; W130-L132 VanDerWaalsContact C-N 3.27Å; W130-L132 PolarHBondContact O-N 3.36Å
133H98.5Very high97.9Very high114 Ų11467.5 Ų67.553%0.52835%0.353SS..Hα-helixtrans-110.3-21.7-167.3-66.2-72.3000114.8V54 D129 W130 R137V54-H133 HydrophobicContact CG1-CB 3.79Å; D129-H133 WeakPolarHBondContact O-CB 3.27Å; D129-H133 PolarHBondContact O-CD2 2.78Å; D129-H133 VanDerWaalsContact O-CD2 3.25Å; D129-H133 PolarHBondContact O-N 2.93Å; W130-H133 PolarHBondContact O-N 2.75Å; H133-R137 WeakPolarHBondContact O-CG 3.46Å
134C98.6Very high97.9Very high0 Ų071.7 Ų71.70%038%0.378CS..THydrogen-bonded Turntrans-111.5-38.7-174.3-53.60000112.9C50 W130 G136 R137 L139C50-C134 HydrophobicContact CB-CB 3.84Å; C50-C134 WeakPolarHBondContact CB-SG 3.11Å; C50-C134 VanDerWaalsContact SG-CA 3.6Å; C50-C134 WeakPolarHBondContact SG-CB 3.04Å; C50-C134 CovalentContact SG-SG 2.03Å; C50-C134 PolarHBondContact SG-SG 3.31Å; W130-C134 HydrophobicContact CD2-CB 3.94Å; W130-C134 HydrophobicContact CG-CB 3.87Å; W130-C134 HydrophobicContact CZ2-CB 4.43Å; W130-C134 WeakPolarHBondContact O-CA 3.37Å; W130-C134 VanDerWaalsContact O-CB 3.22Å; W130-C134 WeakPolarHBondContact O-CB 3.42Å; W130-C134 PolarHBondContact O-N 2.92Å; C134-G136 PolarHBondContact O-N 3.42Å; C134-R137 WeakPolarHBondContact O-CB 3.37Å; C134-R137 PolarHBondContact O-N 2.98Å; C134-R137 VanDerWaalsContact O-N 3.17Å; C134-L139 HydrophobicContact CB-CD1 4.23Å
135L98Very high97.9Very high78 Ų7875.3 Ų75.341%0.40842%0.415SS..THydrogen-bonded Turntrans-59.8126.1-174.4-177.561.6000112.1W130 R131 R137W130-L135 HydrophobicContact CE3-CB 4.44Å; W130-L135 HydrophobicContact CH2-CB 4.3Å; W130-L135 HydrophobicContact CH2-CD1 3.92Å; W130-L135 HydrophobicContact CZ3-CB 3.88Å; W130-L135 HydrophobicContact CZ3-CD1 3.93Å; W130-L135 HydrophobicContact CZ3-CG 4.37Å; W130-L135 PolarHBondContact O-N 2.89Å; R131-L135 HydrophobicContact CG-CD2 4.19Å; R131-L135 WeakPolarHBondContact O-CB 3.48Å; L135-R137 PolarHBondContact O-N 3.07Å
136G97.2Very high97.9Very high77 Ų7771.4 Ų71.479%0.79440%0.401SS*.THydrogen-bonded Turntrans71.410.3177.100000114.8C134C134-G136 PolarHBondContact O-N 3.42Å
137R97.6Very high97.8Very high161 Ų16177.7 Ų77.761%0.60842%0.418SS*.SBendtrans-94.7152.2176.6-58-61-174.5177.9-0.6111H133 C134 L135 L139H133-R137 WeakPolarHBondContact O-CG 3.46Å; C134-R137 WeakPolarHBondContact O-CB 3.37Å; C134-R137 PolarHBondContact O-N 2.98Å; C134-R137 VanDerWaalsContact O-N 3.17Å; L135-R137 PolarHBondContact O-N 3.07Å; R137-L139 HydrophobicContact CB-CD2 4.07Å; R137-L139 PolarHBondContact O-N 2.96Å; R137-L139 VanDerWaalsContact O-N 3.17Å
138P97Very high97.6Very high103 Ų10378.9 Ų78.967%0.66943%0.426SS*.  trans-70.2110169.328.7-32.5000109.2Y141P138-Y141 VanDerWaalsContact O-CD1 3.31Å; P138-Y141 WeakPolarHBondContact O-CD1 3.1Å; P138-Y141 WeakPolarHBondContact O-CE1 3.16Å
139L98.2Very high96.9Very high9 Ų983.8 Ų83.85%0.04746%0.455CS..  trans-101.4-5.4-174.8-64-176000114P46 H47 C50 C134 R137 Y141 W142P46-L139 HydrophobicContact CB-CB 3.56Å; P46-L139 VanDerWaalsContact CB-O 3.32Å; P46-L139 WeakPolarHBondContact CB-O 3.45Å; H47-L139 HydrophobicContact CB-CD1 4.35Å; H47-L139 VanDerWaalsContact CD2-CD1 3.42Å; H47-L139 WeakPolarHBondContact CD2-CD1 3.49Å; C50-L139 HydrophobicContact CB-CD1 4.06Å; C50-L139 HydrophobicContact CB-CD2 4.15Å; C134-L139 HydrophobicContact CB-CD1 4.23Å; R137-L139 HydrophobicContact CB-CD2 4.07Å; R137-L139 PolarHBondContact O-N 2.96Å; R137-L139 VanDerWaalsContact O-N 3.17Å; L139-Y141 PolarHBondContact O-N 3.15Å; L139-W142 WeakPolarHBondContact O-CB 3.4Å; L139-W142 PolarHBondContact O-N 3.46Å
140S97.1Very high96.8Very high94 Ų9484.7 Ų84.766%0.65746%0.46SS*.G310 helixtrans-53.6-28.3-17355.70000114.6W142 L143S140-W142 PolarHBondContact O-N 3.48Å; S140-W142 VanDerWaalsContact O-N 3.15Å; S140-L143 PolarHBondContact O-N 2.64Å; S140-L143 VanDerWaalsContact O-N 3.15Å
141Y97Very high96.7Very high126 Ų12689.1 Ų89.149%0.49448%0.484SS..G310 helixtrans-61-21.7177.769.3-96.8000113.8R25 P138 L139 L143 T144R25-Y141 PolarHBondContact NH1-O 3.31Å; P138-Y141 VanDerWaalsContact O-CD1 3.31Å; P138-Y141 WeakPolarHBondContact O-CD1 3.1Å; P138-Y141 WeakPolarHBondContact O-CE1 3.16Å; L139-Y141 PolarHBondContact O-N 3.15Å; Y141-L143 PolarHBondContact O-N 2.91Å; Y141-L143 VanDerWaalsContact O-N 3.14Å; Y141-T144 WeakPolarHBondContact CA-OG1 3.26Å; Y141-T144 WeakPolarHBondContact O-CB 3.4Å; Y141-T144 PolarHBondContact O-N 2.82Å; Y141-T144 VanDerWaalsContact O-N 3.08Å; Y141-T144 PolarHBondContact O-OG1 3Å
142W98.3Very high96.6Very high21 Ų2187.2 Ų87.28%0.0849%0.486CS..G310 helixtrans-62.7-16.6175.9-76.2110.9000113.6R25 P46 L49 F53 F58 L139 S140R25-W142 WeakPolarHBondContact CD-O 3.47Å; R25-W142 HydrophobicContact CG-CE3 4.32Å; R25-W142 PolarHBondContact NH1-O 2.88Å; P46-W142 HydrophobicContact CB-CB 4.13Å; L49-W142 HydrophobicContact CB-CB 3.98Å; L49-W142 HydrophobicContact CB-CD2 4.18Å; L49-W142 HydrophobicContact CB-CE3 4.2Å; L49-W142 HydrophobicContact CB-CG 4.11Å; L49-W142 HydrophobicContact CD1-CB 3.89Å; L49-W142 WeakPolarHBondContact CD1-O 3.46Å; F53-W142 HydrophobicContact CB-CH2 3.48Å; F53-W142 VanDerWaalsContact CB-CH2 3.48Å; F53-W142 HydrophobicContact CB-CZ2 4.04Å; F53-W142 HydrophobicContact CB-CZ3 4.04Å; F53-W142 AromaticContact CD1-CH2 3.49Å; F53-W142 HydrophobicContact CD1-CH2 3.49Å; F53-W142 VanDerWaalsContact CD1-CH2 3.49Å; F53-W142 AromaticContact CD1-CZ2 3.92Å; F53-W142 HydrophobicContact CD1-CZ2 3.92Å; F53-W142 AromaticContact CD2-CH2 3.88Å; F53-W142 HydrophobicContact CD2-CH2 3.88Å; F53-W142 HydrophobicContact CD2-CZ3 4.33Å; F53-W142 HydrophobicContact CE1-CH2 4.15Å; F53-W142 HydrophobicContact CE2-CH2 4.48Å; F53-W142 AromaticContact CG-CH2 3.32Å; F53-W142 HydrophobicContact CG-CH2 3.32Å; F53-W142 HydrophobicContact CG-CZ2 4.07Å; F53-W142 HydrophobicContact CG-CZ3 4.08Å; F58-W142 AromaticContact CE2-CZ3 3.91Å; F58-W142 HydrophobicContact CE2-CZ3 3.91Å; F58-W142 HydrophobicContact CZ-CE3 4.09Å; F58-W142 HydrophobicContact CZ-CH2 4.32Å; F58-W142 AromaticContact CZ-CZ3 3.55Å; F58-W142 HydrophobicContact CZ-CZ3 3.55Å; L139-W142 WeakPolarHBondContact O-CB 3.4Å; L139-W142 PolarHBondContact O-N 3.46Å; S140-W142 PolarHBondContact O-N 3.48Å; S140-W142 VanDerWaalsContact O-N 3.15Å
143L98.1Very high96.5Very high49 Ų4986.2 Ų86.226%0.25748%0.482SS..G310 helixtrans-104.5-2175-70.3175.5000113.9A29 L45 P46 L49 S140 Y141 G145 C146 L148A29-L143 HydrophobicContact CB-CD2 3.86Å; L45-L143 HydrophobicContact CB-CD1 4.33Å; L45-L143 HydrophobicContact CB-CD2 4.43Å; P46-L143 HydrophobicContact CG-CD1 3.84Å; P46-L143 HydrophobicContact CG-CG 4.05Å; L49-L143 HydrophobicContact CD1-CD2 3.84Å; L49-L143 HydrophobicContact CD1-CG 4.42Å; S140-L143 PolarHBondContact O-N 2.64Å; S140-L143 VanDerWaalsContact O-N 3.15Å; Y141-L143 PolarHBondContact O-N 2.91Å; Y141-L143 VanDerWaalsContact O-N 3.14Å; L143-G145 PolarHBondContact O-N 2.68Å; L143-G145 VanDerWaalsContact O-N 3.14Å; L143-C146 WeakPolarHBondContact O-CB 3.21Å; L143-C146 PolarHBondContact O-N 3.1Å; L143-L148 HydrophobicContact CD2-CD2 4.37Å
144T97.8Very high96.4Very high94 Ų9484.4 Ų84.458%0.57748%0.479SS*.THydrogen-bonded Turntrans-57122.6-179.6-60.80000110.8R25 Y141 C146R25-T144 PolarHBondContact NH1-O 3.32Å; R25-T144 PolarHBondContact NH2-O 2.88Å; Y141-T144 WeakPolarHBondContact CA-OG1 3.26Å; Y141-T144 WeakPolarHBondContact O-CB 3.4Å; Y141-T144 PolarHBondContact O-N 2.82Å; Y141-T144 VanDerWaalsContact O-N 3.08Å; Y141-T144 PolarHBondContact O-OG1 3Å; T144-C146 VanDerWaalsContact C-N 3.31Å; T144-C146 PolarHBondContact O-N 3.47Å
145G97.7Very high96.2Very high76 Ų7690.1 Ų90.178%0.78451%0.511SS*.THydrogen-bonded Turntrans80.4-0.5179.600000115.5L143L143-G145 PolarHBondContact O-N 2.68Å; L143-G145 VanDerWaalsContact O-N 3.14Å
146C97.9Very high96.1Very high24 Ų2490.9 Ų90.916%0.16252%0.518CS..  trans-84.9138.9176.9-57.60000111.4C26 L143 T144C26-C146 WeakPolarHBondContact CA-SG 3.32Å; C26-C146 HydrophobicContact CB-CB 3.68Å; C26-C146 WeakPolarHBondContact CB-SG 3.34Å; C26-C146 WeakPolarHBondContact SG-CA 3.42Å; C26-C146 WeakPolarHBondContact SG-CB 3.35Å; C26-C146 CovalentContact SG-SG 2.05Å; C26-C146 PolarHBondContact SG-SG 3.03Å; L143-C146 WeakPolarHBondContact O-CB 3.21Å; L143-C146 PolarHBondContact O-N 3.1Å; T144-C146 VanDerWaalsContact C-N 3.31Å; T144-C146 PolarHBondContact O-N 3.47Å
147R96.1Very high96Very high217 Ų21792 Ų9282%0.81950%0.497SS*.  trans-108120.3167.3-63.3-178.1-175.4176.70.9108
148L93.3Very high95.9Very high40 Ų4086.3 Ų86.321%0.20949%0.488CS..  trans-90.4-11.8-178.4-56.3-178.3000112.5A29 Y33 L45 L143A29-L148 HydrophobicContact CB-CD2 3.86Å; Y33-L148 HydrophobicContact CD1-CB 4.03Å; Y33-L148 HydrophobicContact CD2-CD1 3.96Å; Y33-L148 HydrophobicContact CE1-CB 4.43Å; Y33-L148 HydrophobicContact CE2-CD1 4.45Å; Y33-L148 HydrophobicContact CG-CB 4.17Å; Y33-L148 HydrophobicContact CG-CD1 4.09Å; L45-L148 HydrophobicContact CD1-CD1 3.71Å; L143-L148 HydrophobicContact CD2-CD2 4.37Å
149V82.1Confident95.8Very high182 Ų18284.7 Ų84.7100%1.10347%0.472SS*.  trans-126.20176.8-650000111

Retrieved 149 of 149 residues in 105.5 ms (Link to these results)

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