A0A096NE60_PAPAN Loading...

2'-5'-oligoadenylate synthetase like

AlphaFold DB , UniProt , Accession A0A096NE60, Species PAPAN (Papio anubis, Olive baboon), Gene OASL, Length 515 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
1M34.7Very low74.2Confident238 Ų23883.8 Ų83.8100%1.17246%0.455SS*.  0105.70-73169.667.500107.6L3M1-L3 PolarHBondContact O-N 3.42Å
2A38.8Very low76Confident85 Ų8577.1 Ų77.170%0.70242%0.42SS*.  trans-64.6130.8174.300000108.4M4 W22A2-M4 PolarHBondContact O-N 3.01Å; A2-W22 HydrophobicContact CB-CH2 4.19Å
3L47.3Very low77.4Confident163 Ų16376.3 Ų76.385%0.85342%0.423SS*.  trans-50.7133.1169.3-104.693.5000108.1M1 Q5M1-L3 PolarHBondContact O-N 3.42Å; L3-Q5 PolarHBondContact O-N 3.47Å
4M56.5Low78.8Confident144 Ų14479.1 Ų79.171%0.70942%0.424SS*.  trans-57.5115.8170.4-92.7-173.165.800108A2 E6 W22A2-M4 PolarHBondContact O-N 3.01Å; M4-E6 PolarHBondContact O-N 3.36Å; M4-W22 HydrophobicContact CG-CE3 4.49Å; M4-W22 HydrophobicContact CG-CZ3 4.22Å
5Q72.3Confident80Confident49 Ų4973.9 Ų73.923%0.22940%0.396CS..  trans-66.1129.3175.4-168173.9-0.300108.4L3 T10 F18 W22L3-Q5 PolarHBondContact O-N 3.47Å; Q5-T10 PolarHBondContact NE2-OG1 3.07Å; Q5-F18 WeakPolarHBondContact O-CE2 3.4Å; Q5-W22 HydrophobicContact CB-CZ2 4.22Å
6E90.6Very high81Confident118 Ų11873.3 Ų73.355%0.55139%0.393SS*.  trans-86.4144.3176.9-68.3-168.3-175.300110.6M4 Y8 S9 T10M4-E6 PolarHBondContact O-N 3.36Å; E6-Y8 VanDerWaalsContact C-N 3.32Å; E6-Y8 PolarHBondContact O-N 2.81Å; E6-S9 PolarHBondContact N-OG 3.18Å; E6-S9 PolarHBondContact O-N 3.09Å; E6-S9 VanDerWaalsContact O-N 3.08Å; E6-S9 PolarHBondContact O-OG 2.97Å; E6-T10 PolarHBondContact O-N 2.82Å; E6-T10 PolarHBondContact O-OG1 3.06Å
7L95.1Very high82Confident0 Ų072.1 Ų72.10%039%0.392CS..G310 helixtrans-54.5-46.9-180175.558.9000111.9S9 T10 L15 F18 L212 W216 Y220 F260 C334L7-S9 PolarHBondContact O-N 3.47Å; L7-S9 VanDerWaalsContact O-N 3.16Å; L7-T10 WeakPolarHBondContact O-CB 3.34Å; L7-T10 PolarHBondContact O-N 3.34Å; L7-L15 HydrophobicContact CD1-CD2 3.59Å; L7-F18 HydrophobicContact CB-CE1 4.33Å; L7-F18 HydrophobicContact CB-CZ 4.14Å; L7-F18 HydrophobicContact CD1-CD1 4.22Å; L7-F18 HydrophobicContact CD1-CE1 3.98Å; L7-L212 HydrophobicContact CD1-CD1 3.62Å; L7-L212 HydrophobicContact CD2-CD1 4.3Å; L7-W216 HydrophobicContact CD2-CB 3.85Å; L7-W216 HydrophobicContact CD2-CG 4.46Å; L7-Y220 HydrophobicContact CB-CE2 3.82Å; L7-Y220 HydrophobicContact CD2-CE2 4.14Å; L7-Y220 PolarHBondContact N-OH 2.91Å; L7-Y220 VanDerWaalsContact N-OH 3.1Å; L7-F260 HydrophobicContact CD2-CE2 4.44Å; L7-F260 HydrophobicContact CD2-CZ 3.91Å; L7-C334 HydrophobicContact CD1-CB 4.17Å; L7-C334 HydrophobicContact CG-CB 4.46Å; L7-C334 WeakPolarHBondContact O-CB 3.35Å
8Y96.3Very high82.8Confident21 Ų2168.3 Ų68.38%0.08237%0.371CS..G310 helixtrans-64.5-21.2-177.7-72.3-0.5000114.2E6 Y220 C329 Q332 V333E6-Y8 VanDerWaalsContact C-N 3.32Å; E6-Y8 PolarHBondContact O-N 2.81Å; Y8-Y220 HydrophobicContact CD1-CD1 4.35Å; Y8-Y220 HydrophobicContact CD1-CE1 4.02Å; Y8-Y220 AromaticContact CD2-CD1 3.98Å; Y8-Y220 HydrophobicContact CD2-CD1 3.98Å; Y8-Y220 AromaticContact CD2-CE1 3.75Å; Y8-Y220 HydrophobicContact CD2-CE1 3.75Å; Y8-Y220 AromaticContact CE1-CD1 3.93Å; Y8-Y220 HydrophobicContact CE1-CD1 3.93Å; Y8-Y220 HydrophobicContact CE1-CD2 4.35Å; Y8-Y220 HydrophobicContact CE1-CE1 4.07Å; Y8-Y220 HydrophobicContact CE1-CE2 4.47Å; Y8-Y220 HydrophobicContact CE1-CG 4.08Å; Y8-Y220 AromaticContact CE2-CD1 3.53Å; Y8-Y220 HydrophobicContact CE2-CD1 3.53Å; Y8-Y220 AromaticContact CE2-CE1 3.81Å; Y8-Y220 HydrophobicContact CE2-CE1 3.81Å; Y8-Y220 HydrophobicContact CE2-CG 4.33Å; Y8-Y220 HydrophobicContact CG-CD1 4.38Å; Y8-Y220 AromaticContact CG-CE1 3.86Å; Y8-Y220 HydrophobicContact CG-CE1 3.86Å; Y8-Y220 AromaticContact CZ-CD1 3.5Å; Y8-Y220 AromaticContact CZ-CE1 3.98Å; Y8-Y220 AromaticContact CZ-CG 3.84Å; Y8-C329 HydrophobicContact CE1-CB 4.07Å; Y8-C329 VanDerWaalsContact CE1-SG 3.55Å; Y8-Q332 HydrophobicContact CD1-CB 3.97Å; Y8-Q332 HydrophobicContact CD1-CG 3.72Å; Y8-Q332 HydrophobicContact CD2-CB 4.4Å; Y8-Q332 HydrophobicContact CD2-CG 3.54Å; Y8-Q332 HydrophobicContact CE1-CG 4Å; Y8-Q332 HydrophobicContact CE2-CG 3.81Å; Y8-Q332 HydrophobicContact CG-CB 3.87Å; Y8-Q332 HydrophobicContact CG-CG 3.48Å; Y8-Q332 VanDerWaalsContact CG-CG 3.48Å; Y8-V333 WeakPolarHBondContact O-CB 3.4Å; Y8-V333 PolarHBondContact O-N 2.93Å
9S94.1Very high83.5Confident69 Ų6964.8 Ų64.848%0.48335%0.352SS..G310 helixtrans-91.8-3.2175.169.70000113.5E6 L7E6-S9 PolarHBondContact N-OG 3.18Å; E6-S9 PolarHBondContact O-N 3.09Å; E6-S9 VanDerWaalsContact O-N 3.08Å; E6-S9 PolarHBondContact O-OG 2.97Å; L7-S9 PolarHBondContact O-N 3.47Å; L7-S9 VanDerWaalsContact O-N 3.16Å
10T95.4Very high84.1Confident0 Ų064.1 Ų64.10%036%0.355CS..SBendtrans-93.1122.3-177.1-58.80000109.7Q5 E6 L7 R14 L15 F18 V333 C334Q5-T10 PolarHBondContact NE2-OG1 3.07Å; E6-T10 PolarHBondContact O-N 2.82Å; E6-T10 PolarHBondContact O-OG1 3.06Å; L7-T10 WeakPolarHBondContact O-CB 3.34Å; L7-T10 PolarHBondContact O-N 3.34Å; T10-R14 HydrophobicContact CG2-CB 4.07Å; T10-L15 HydrophobicContact CG2-CD2 4.16Å; T10-F18 HydrophobicContact CG2-CB 3.91Å; T10-F18 HydrophobicContact CG2-CD2 4.37Å; T10-F18 HydrophobicContact CG2-CG 4.29Å; T10-V333 CarbonylContact O-C 3.58Å; T10-C334 WeakPolarHBondContact O-CA 3.27Å; T10-C334 WeakPolarHBondContact O-CB 3.32Å; T10-C334 PolarHBondContact O-N 3.19Å; T10-C334 VanDerWaalsContact O-N 3.16Å
11P94.6Very high84.6Confident35 Ų3566.1 Ų66.123%0.22736%0.362CS..  trans-57.7145.6173.6-24.234.4000113S13 R14 V333P11-S13 PolarHBondContact O-N 2.96Å; P11-R14 WeakPolarHBondContact O-CA 3.43Å; P11-R14 PolarHBondContact O-N 2.9Å; P11-V333 HydrophobicContact CB-CG1 4.43Å; P11-V333 HydrophobicContact CG-CG1 4.24Å
12A95.8Very high87.4Confident3 Ų357.8 Ų57.83%0.02532%0.318CS..G310 helixtrans-47.9-46176.100000112.4R14 L15 D257 V333 Y336 V343A12-R14 PolarHBondContact O-N 3.04Å; A12-L15 WeakPolarHBondContact O-CB 3.43Å; A12-L15 WeakPolarHBondContact O-CG 3.34Å; A12-L15 PolarHBondContact O-N 3.49Å; A12-L15 VanDerWaalsContact O-N 3.13Å; A12-D257 HydrophobicContact CB-CB 3.68Å; A12-V333 PolarHBondContact N-O 3.44Å; A12-Y336 WeakPolarHBondContact CB-O 3.41Å; A12-V343 HydrophobicContact CB-CG2 3.62Å
13S95.1Very high90Very high67 Ų6754 Ų5447%0.46929%0.285SS..G310 helixtrans-60.8-14.8177.9620000115.1P11 N338P11-S13 PolarHBondContact O-N 2.96Å; S13-N338 PolarHBondContact OG-OD1 3.09Å
14R96.1Very high92.2Very high116 Ų11649.7 Ų49.744%0.43826%0.261SS..G310 helixtrans-110.85.6-178.6-64.9-168.465.2-168.8-4113.7T10 P11 A12 D16 S17 F18T10-R14 HydrophobicContact CG2-CB 4.07Å; P11-R14 WeakPolarHBondContact O-CA 3.43Å; P11-R14 PolarHBondContact O-N 2.9Å; A12-R14 PolarHBondContact O-N 3.04Å; R14-D16 VanDerWaalsContact C-N 3.33Å; R14-D16 PolarHBondContact O-N 3.24Å; R14-S17 WeakPolarHBondContact O-CB 3.44Å; R14-S17 PolarHBondContact O-N 3.45Å; R14-F18 PolarHBondContact O-N 3.09Å
15L97.2Very high93.8Very high0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-61.8-37.5-178.3-70.6178000112.9L7 T10 A12 S17 F18 V19 L212 L256 D257 C334L7-L15 HydrophobicContact CD1-CD2 3.59Å; T10-L15 HydrophobicContact CG2-CD2 4.16Å; A12-L15 WeakPolarHBondContact O-CB 3.43Å; A12-L15 WeakPolarHBondContact O-CG 3.34Å; A12-L15 PolarHBondContact O-N 3.49Å; A12-L15 VanDerWaalsContact O-N 3.13Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-S17 PolarHBondContact O-N 3.07Å; L15-F18 WeakPolarHBondContact O-CB 3.43Å; L15-F18 PolarHBondContact O-N 2.91Å; L15-F18 VanDerWaalsContact O-N 3.17Å; L15-V19 WeakPolarHBondContact O-CG2 3.42Å; L15-V19 PolarHBondContact O-N 3.36Å; L15-L212 HydrophobicContact CB-CD2 4.36Å; L15-L212 HydrophobicContact CD1-CD2 4.05Å; L15-L212 HydrophobicContact CD2-CD1 4.41Å; L15-L212 HydrophobicContact CD2-CD2 4.3Å; L15-L212 HydrophobicContact CG-CD2 4.48Å; L15-L256 HydrophobicContact CB-CD2 3.88Å; L15-L256 HydrophobicContact CB-CG 4.35Å; L15-D257 HydrophobicContact CD1-CB 3.89Å; L15-C334 HydrophobicContact CD2-CB 4.11Å
16D96.8Very high94.7Very high65 Ų6547 Ų4735%0.34825%0.248SC..Hα-helixtrans-60.5-44.9175.9-80.3-70.9000111.5R14 F18 V19 A20 L256R14-D16 VanDerWaalsContact C-N 3.33Å; R14-D16 PolarHBondContact O-N 3.24Å; D16-F18 VanDerWaalsContact C-N 3.32Å; D16-F18 PolarHBondContact O-N 3.12Å; D16-V19 PolarHBondContact O-N 3.26Å; D16-A20 PolarHBondContact O-N 3.27Å; D16-L256 HydrophobicContact CB-CD2 4.48Å
17S96.5Very high94.7Very high53 Ų5350.4 Ų50.437%0.37126%0.256SS..Hα-helixtrans-63.7-39.4175.4-640000111.6R14 L15 A20 Q21R14-S17 WeakPolarHBondContact O-CB 3.44Å; R14-S17 PolarHBondContact O-N 3.45Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-S17 PolarHBondContact O-N 3.07Å; S17-A20 PolarHBondContact O-N 3.13Å; S17-Q21 WeakPolarHBondContact O-CB 3.4Å; S17-Q21 VanDerWaalsContact O-CG 3.32Å; S17-Q21 WeakPolarHBondContact O-CG 3.41Å; S17-Q21 PolarHBondContact O-N 3.36Å
18F96.8Very high94.5Very high4 Ų458.3 Ų58.32%0.01829%0.293CS..Hα-helixtrans-61.7-45.9177.4175.2-96.6000112Q5 L7 T10 R14 L15 D16 A20 W22 L23 L212 H215Q5-F18 WeakPolarHBondContact O-CE2 3.4Å; L7-F18 HydrophobicContact CB-CE1 4.33Å; L7-F18 HydrophobicContact CB-CZ 4.14Å; L7-F18 HydrophobicContact CD1-CD1 4.22Å; L7-F18 HydrophobicContact CD1-CE1 3.98Å; T10-F18 HydrophobicContact CG2-CB 3.91Å; T10-F18 HydrophobicContact CG2-CD2 4.37Å; T10-F18 HydrophobicContact CG2-CG 4.29Å; R14-F18 PolarHBondContact O-N 3.09Å; L15-F18 WeakPolarHBondContact O-CB 3.43Å; L15-F18 PolarHBondContact O-N 2.91Å; L15-F18 VanDerWaalsContact O-N 3.17Å; D16-F18 VanDerWaalsContact C-N 3.32Å; D16-F18 PolarHBondContact O-N 3.12Å; F18-A20 PolarHBondContact O-N 3.33Å; F18-W22 HydrophobicContact CD2-CB 4.33Å; F18-W22 AromaticContact CD2-CD1 3.53Å; F18-W22 HydrophobicContact CD2-CG 4.17Å; F18-W22 HydrophobicContact CE2-CB 4.15Å; F18-W22 AromaticContact CE2-CD1 3.98Å; F18-W22 HydrophobicContact CE2-CG 4.21Å; F18-W22 WeakPolarHBondContact O-CB 3.5Å; F18-W22 PolarHBondContact O-N 2.94Å; F18-L23 HydrophobicContact CD1-CD1 4.26Å; F18-L23 HydrophobicContact CD1-CG 4.21Å; F18-L23 HydrophobicContact CE1-CD1 3.91Å; F18-L23 HydrophobicContact CE1-CD2 3.81Å; F18-L23 HydrophobicContact CE1-CG 3.84Å; F18-L23 HydrophobicContact CZ-CD2 4.11Å; F18-L212 HydrophobicContact CD1-CD1 3.95Å; F18-L212 HydrophobicContact CE1-CD1 4.03Å; F18-H215 AromaticContact CZ-NE2 3.78Å
19V96.7Very high94.4Very high1 Ų159 Ų591%0.00630%0.296CS..Iπ-helixtrans-60.4-48.5176.3175.90000110.9L15 D16 Q21 L23 Q24 R211 L212 L256L15-V19 WeakPolarHBondContact O-CG2 3.42Å; L15-V19 PolarHBondContact O-N 3.36Å; D16-V19 PolarHBondContact O-N 3.26Å; V19-Q21 PolarHBondContact O-N 3.14Å; V19-L23 HydrophobicContact CG1-CB 4.34Å; V19-L23 HydrophobicContact CG2-CD1 4.05Å; V19-L23 WeakPolarHBondContact O-CB 3.46Å; V19-L23 PolarHBondContact O-N 3.11Å; V19-L23 VanDerWaalsContact O-N 3.1Å; V19-Q24 HydrophobicContact CG1-CG 4.42Å; V19-Q24 PolarHBondContact O-N 2.98Å; V19-R211 HydrophobicContact CG1-CB 4.48Å; V19-L212 HydrophobicContact CG2-CB 4.09Å; V19-L212 HydrophobicContact CG2-CD1 4.19Å; V19-L256 HydrophobicContact CG2-CD2 3.81Å
20A95.3Very high94.3Very high51 Ų5159.1 Ų59.142%0.42129%0.288SS..Iπ-helixtrans-63.2-42.6-177.200000112.7D16 S17 F18D16-A20 PolarHBondContact O-N 3.27Å; S17-A20 PolarHBondContact O-N 3.13Å; F18-A20 PolarHBondContact O-N 3.33Å
21Q94.2Very high94.2Very high107 Ų10763.8 Ų63.850%0.531%0.309SS..Iπ-helixtrans-83.8-40.1-174.2-67.1176.21.400112.9S17 V19 R77S17-Q21 WeakPolarHBondContact O-CB 3.4Å; S17-Q21 VanDerWaalsContact O-CG 3.32Å; S17-Q21 WeakPolarHBondContact O-CG 3.41Å; S17-Q21 PolarHBondContact O-N 3.36Å; V19-Q21 PolarHBondContact O-N 3.14Å; Q21-R77 PolarHBondContact O-NH2 3.21Å; Q21-R77 VanDerWaalsContact O-NH2 3.14Å
22W93.5Very high94.2Very high63 Ų6363.9 Ų63.924%0.23931%0.307CS..Iπ-helixtrans-109.6-31.8-167.8-58104.6000113.8A2 M4 Q5 F18 R77A2-W22 HydrophobicContact CB-CH2 4.19Å; M4-W22 HydrophobicContact CG-CE3 4.49Å; M4-W22 HydrophobicContact CG-CZ3 4.22Å; Q5-W22 HydrophobicContact CB-CZ2 4.22Å; F18-W22 HydrophobicContact CD2-CB 4.33Å; F18-W22 AromaticContact CD2-CD1 3.53Å; F18-W22 HydrophobicContact CD2-CG 4.17Å; F18-W22 HydrophobicContact CE2-CB 4.15Å; F18-W22 AromaticContact CE2-CD1 3.98Å; F18-W22 HydrophobicContact CE2-CG 4.21Å; F18-W22 WeakPolarHBondContact O-CB 3.5Å; F18-W22 PolarHBondContact O-N 2.94Å; W22-R77 WeakPolarHBondContact O-CD 3.37Å; W22-R77 PolarHBondContact O-NE 2.76Å
23L94.7Very high94.1Very high5 Ų563.8 Ų63.83%0.02631%0.306CS..Iπ-helixtrans-96.1-33.3-174-56-166.9000113.7F18 V19 L76 R77 R211 L212 H215F18-L23 HydrophobicContact CD1-CD1 4.26Å; F18-L23 HydrophobicContact CD1-CG 4.21Å; F18-L23 HydrophobicContact CE1-CD1 3.91Å; F18-L23 HydrophobicContact CE1-CD2 3.81Å; F18-L23 HydrophobicContact CE1-CG 3.84Å; F18-L23 HydrophobicContact CZ-CD2 4.11Å; V19-L23 HydrophobicContact CG1-CB 4.34Å; V19-L23 HydrophobicContact CG2-CD1 4.05Å; V19-L23 WeakPolarHBondContact O-CB 3.46Å; V19-L23 PolarHBondContact O-N 3.11Å; V19-L23 VanDerWaalsContact O-N 3.1Å; L23-L76 HydrophobicContact CB-CD2 4.1Å; L23-L76 HydrophobicContact CD1-CD2 4.48Å; L23-L76 CarbonylContact O-C 3.56Å; L23-L76 WeakPolarHBondContact O-CA 3.33Å; L23-R77 PolarHBondContact O-N 3.34Å; L23-R211 HydrophobicContact CD1-CB 4.42Å; L23-L212 HydrophobicContact CD1-CB 4.5Å; L23-L212 HydrophobicContact CD1-CD1 4.11Å; L23-H215 HydrophobicContact CD1-CB 3.75Å; L23-H215 HydrophobicContact CD2-CB 3.77Å; L23-H215 VanDerWaalsContact CD2-ND1 3.31Å; L23-H215 WeakPolarHBondContact CD2-ND1 3.38Å; L23-H215 HydrophobicContact CG-CB 4.43Å
24Q92.4Very high94.1Very high72 Ų7262.7 Ų62.734%0.33629%0.294SS..SBendtrans-70.1131.3179.1-69.6-174.62.700110.8V19 R77V19-Q24 HydrophobicContact CG1-CG 4.42Å; V19-Q24 PolarHBondContact O-N 2.98Å; Q24-R77 PolarHBondContact O-NE 3.32Å; Q24-R77 PolarHBondContact O-NH2 2.93Å
25P89.8Confident94Very high25 Ų2559.9 Ų59.916%0.16229%0.288CS..PPolyproline II helixtrans-70.9150.217531-35.9000110.6W29 V75P25-W29 HydrophobicContact CB-CE3 3.72Å; P25-W29 HydrophobicContact CB-CZ3 3.71Å; P25-V75 HydrophobicContact CB-CG1 4.3Å; P25-V75 WeakPolarHBondContact CD-O 3.48Å; P25-V75 HydrophobicContact CG-CB 4.14Å; P25-V75 HydrophobicContact CG-CG1 3.88Å
26H91.2Very high93.9Very high111 Ų11159.9 Ų59.951%0.51429%0.288SS..PPolyproline II helixtrans-64141.1170-71.3-76.5000110.4E28 W29 K30 R77H26-E28 PolarHBondContact O-N 3.21Å; H26-W29 HydrophobicContact CB-CB 4.25Å; H26-W29 PolarHBondContact O-N 3.42Å; H26-K30 PolarHBondContact O-N 3.46Å; H26-R77 PolarHBondContact CD2-NH1 2.89Å; H26-R77 PolarHBondContact NE2-NH1 3.44Å; H26-R77 PolarHBondContact NE2-NH2 3.42Å
27R91.7Very high93.8Very high191 Ų19156.8 Ų56.872%0.72127%0.272SS*.Hα-helixtrans-60.5-47-177.7-179.2179.5171.7-178.9-3.8111.7K30 E31R27-K30 WeakPolarHBondContact O-CB 3.26Å; R27-K30 PolarHBondContact O-N 2.82Å; R27-E31 WeakPolarHBondContact CG-OE1 3.17Å; R27-E31 IonicContact CZ-OE1 3.57Å; R27-E31 IonicContact NE-OE1 3.62Å; R27-E31 PolarHBondContact NE-OE1 2.86Å; R27-E31 IonicContact NH2-OE1 2.79Å; R27-E31 PolarHBondContact NH2-OE1 3.39Å; R27-E31 WeakPolarHBondContact O-CG 3.37Å; R27-E31 PolarHBondContact O-N 2.98Å
28E91.4Very high93.8Very high165 Ų16560.5 Ų60.577%0.77128%0.278SS*.Hα-helixtrans-59.2-50.2-179.7-66.3168.6-173.300111.3H26 K30 E31 E32H26-E28 PolarHBondContact O-N 3.21Å; E28-K30 VanDerWaalsContact C-N 3.3Å; E28-K30 PolarHBondContact O-N 2.9Å; E28-E31 PolarHBondContact O-N 3.32Å; E28-E31 VanDerWaalsContact O-N 3.12Å; E28-E32 PolarHBondContact O-N 3.45Å
29W92.7Very high93.7Very high35 Ų3561 Ų6113%0.13328%0.281CS..Hα-helixtrans-56.6-43.4175.3174.782.9000112.3P25 H26 E31 E32 V33 F70 V75 T79 E147 I149P25-W29 HydrophobicContact CB-CE3 3.72Å; P25-W29 HydrophobicContact CB-CZ3 3.71Å; H26-W29 HydrophobicContact CB-CB 4.25Å; H26-W29 PolarHBondContact O-N 3.42Å; W29-E31 PolarHBondContact O-N 3.11Å; W29-E32 WeakPolarHBondContact O-CB 3.33Å; W29-E32 PolarHBondContact O-N 3Å; W29-V33 HydrophobicContact CD2-CG2 4.16Å; W29-V33 HydrophobicContact CH2-CG2 4.19Å; W29-V33 HydrophobicContact CZ2-CG2 3.73Å; W29-V33 WeakPolarHBondContact O-CG2 3.33Å; W29-V33 PolarHBondContact O-N 3.34Å; W29-F70 HydrophobicContact CH2-CZ 4.06Å; W29-F70 HydrophobicContact CZ3-CZ 4.27Å; W29-V75 HydrophobicContact CZ3-CG1 4.12Å; W29-T79 WeakPolarHBondContact CH2-O 3Å; W29-T79 WeakPolarHBondContact CZ2-O 3.4Å; W29-E147 PolarHBondContact NE1-OE2 3.05Å; W29-I149 HydrophobicContact CZ2-CD1 4.31Å
30K92.9Very high93.7Very high73 Ų7360.9 Ų60.932%0.31728%0.281SS..Hα-helixtrans-64.3-40.8178.2-179.6-175.4172.5-1690111.6H26 R27 E28 E32 L34 F70H26-K30 PolarHBondContact O-N 3.46Å; R27-K30 WeakPolarHBondContact O-CB 3.26Å; R27-K30 PolarHBondContact O-N 2.82Å; E28-K30 VanDerWaalsContact C-N 3.3Å; E28-K30 PolarHBondContact O-N 2.9Å; K30-E32 VanDerWaalsContact C-N 3.32Å; K30-L34 HydrophobicContact CG-CD1 4.19Å; K30-L34 WeakPolarHBondContact O-CB 3.31Å; K30-L34 VanDerWaalsContact O-CG 3.24Å; K30-L34 WeakPolarHBondContact O-CG 3.18Å; K30-L34 PolarHBondContact O-N 2.98Å; K30-F70 HydrophobicContact CG-CE1 4.34Å
31E93.6Very high93.7Very high97 Ų9759.1 Ų59.145%0.45326%0.263SS..Hα-helixtrans-63.7-40.1176.6-73.8174.5-174.500110.8R27 E28 W29 L34 D35R27-E31 WeakPolarHBondContact CG-OE1 3.17Å; R27-E31 IonicContact CZ-OE1 3.57Å; R27-E31 IonicContact NE-OE1 3.62Å; R27-E31 PolarHBondContact NE-OE1 2.86Å; R27-E31 IonicContact NH2-OE1 2.79Å; R27-E31 PolarHBondContact NH2-OE1 3.39Å; R27-E31 WeakPolarHBondContact O-CG 3.37Å; R27-E31 PolarHBondContact O-N 2.98Å; E28-E31 PolarHBondContact O-N 3.32Å; E28-E31 VanDerWaalsContact O-N 3.12Å; W29-E31 PolarHBondContact O-N 3.11Å; E31-L34 PolarHBondContact O-N 3.44Å; E31-D35 PolarHBondContact O-N 2.96Å
32E94Very high93.8Very high38 Ų3858 Ų5818%0.17826%0.259CS..Hα-helixtrans-62.9-46176.6-158.6-170.9168.700112.8E28 W29 K30 L34 D35 A36 T142 G144 T145E28-E32 PolarHBondContact O-N 3.45Å; W29-E32 WeakPolarHBondContact O-CB 3.33Å; W29-E32 PolarHBondContact O-N 3Å; K30-E32 VanDerWaalsContact C-N 3.32Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3.27Å; E32-D35 WeakPolarHBondContact O-CB 3.49Å; E32-D35 PolarHBondContact O-N 3.42Å; E32-A36 PolarHBondContact O-N 2.79Å; E32-A36 VanDerWaalsContact O-N 3.14Å; E32-T142 HydrophobicContact CG-CG2 4.28Å; E32-T142 WeakPolarHBondContact OE1-CB 3.38Å; E32-T142 PolarHBondContact OE1-OG1 2.96Å; E32-T142 VanDerWaalsContact OE1-OG1 3.14Å; E32-G144 WeakPolarHBondContact OE1-CA 3.47Å; E32-G144 PolarHBondContact OE1-N 3.41Å; E32-T145 VanDerWaalsContact CD-OG1 3.26Å; E32-T145 PolarHBondContact OE1-N 2.89Å; E32-T145 PolarHBondContact OE1-OG1 2.89Å; E32-T145 WeakPolarHBondContact OE2-CG2 3.35Å; E32-T145 PolarHBondContact OE2-OG1 3.2Å
33V94.3Very high93.8Very high1 Ų155.7 Ų55.71%0.00625%0.25CS..Hα-helixtrans-61.4-42.4174.7173.60000111W29 D35 A36 V37 F70 V82 T142 I149W29-V33 HydrophobicContact CD2-CG2 4.16Å; W29-V33 HydrophobicContact CH2-CG2 4.19Å; W29-V33 HydrophobicContact CZ2-CG2 3.73Å; W29-V33 WeakPolarHBondContact O-CG2 3.33Å; W29-V33 PolarHBondContact O-N 3.34Å; V33-D35 VanDerWaalsContact C-N 3.27Å; V33-D35 PolarHBondContact O-N 3.45Å; V33-A36 PolarHBondContact O-N 3.18Å; V33-V37 HydrophobicContact CG1-CG2 4.41Å; V33-V37 VanDerWaalsContact O-CG2 3.27Å; V33-V37 WeakPolarHBondContact O-CG2 3.44Å; V33-V37 PolarHBondContact O-N 2.88Å; V33-F70 HydrophobicContact CB-CE1 4.35Å; V33-F70 HydrophobicContact CB-CZ 4.43Å; V33-F70 HydrophobicContact CG1-CE1 3.85Å; V33-F70 HydrophobicContact CG1-CZ 3.73Å; V33-V82 HydrophobicContact CG1-CG2 3.84Å; V33-T142 HydrophobicContact CG2-CG2 4.11Å; V33-I149 HydrophobicContact CG1-CD1 4.34Å; V33-I149 HydrophobicContact CG1-CG1 4.3Å; V33-I149 HydrophobicContact CG1-CG2 4.07Å; V33-I149 HydrophobicContact CG2-CD1 3.67Å; V33-I149 HydrophobicContact CG2-CG1 4.03Å
34L93.8Very high93.8Very high43 Ų4355.5 Ų55.523%0.22525%0.249CC..Hα-helixtrans-68.1-27.4179.2-73.2176.5000113K30 E31 E32 R38 K66 F70K30-L34 HydrophobicContact CG-CD1 4.19Å; K30-L34 WeakPolarHBondContact O-CB 3.31Å; K30-L34 VanDerWaalsContact O-CG 3.24Å; K30-L34 WeakPolarHBondContact O-CG 3.18Å; K30-L34 PolarHBondContact O-N 2.98Å; E31-L34 PolarHBondContact O-N 3.44Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3.27Å; L34-R38 WeakPolarHBondContact O-CB 3.48Å; L34-R38 PolarHBondContact O-N 2.86Å; L34-K66 HydrophobicContact CD2-CD 3.89Å; L34-F70 HydrophobicContact CD2-CD1 4.05Å
35D94.6Very high93.8Very high57 Ų5758.1 Ų58.131%0.30526%0.256SS..Hα-helixtrans-70.2-47173.9-169.964.3000111.6E31 E32 V33 V37 R38 T39 R143E31-D35 PolarHBondContact O-N 2.96Å; E32-D35 WeakPolarHBondContact O-CB 3.49Å; E32-D35 PolarHBondContact O-N 3.42Å; V33-D35 VanDerWaalsContact C-N 3.27Å; V33-D35 PolarHBondContact O-N 3.45Å; D35-V37 PolarHBondContact O-N 3.47Å; D35-R38 VanDerWaalsContact O-CB 3.26Å; D35-R38 WeakPolarHBondContact O-CB 3.4Å; D35-R38 PolarHBondContact O-N 2.86Å; D35-R38 VanDerWaalsContact O-N 3.13Å; D35-T39 PolarHBondContact O-N 3.23Å; D35-R143 WeakPolarHBondContact OD2-CD 3.49Å; D35-R143 IonicContact OD2-NE 3.11Å
36A94.6Very high93.9Very high1 Ų163.7 Ų63.71%0.00828%0.279CS..Hα-helixtrans-59.5-45.6174.700000111.8E32 V33 R38 T39 I140E32-A36 PolarHBondContact O-N 2.79Å; E32-A36 VanDerWaalsContact O-N 3.14Å; V33-A36 PolarHBondContact O-N 3.18Å; A36-R38 VanDerWaalsContact C-N 3.26Å; A36-R38 PolarHBondContact O-N 3.42Å; A36-T39 WeakPolarHBondContact O-CB 3.4Å; A36-T39 PolarHBondContact O-N 3.46Å; A36-I140 HydrophobicContact CB-CD1 4.01Å
37V95.7Very high93.8Very high0 Ų061.5 Ų61.50%027%0.27CS..Hα-helixtrans-64.7-29.9177.4172.80000112.3V33 D35 T39 V40 E41 V82 L84 V151V33-V37 HydrophobicContact CG1-CG2 4.41Å; V33-V37 VanDerWaalsContact O-CG2 3.27Å; V33-V37 WeakPolarHBondContact O-CG2 3.44Å; V33-V37 PolarHBondContact O-N 2.88Å; D35-V37 PolarHBondContact O-N 3.47Å; V37-T39 PolarHBondContact O-N 3.21Å; V37-V40 WeakPolarHBondContact O-CB 3.35Å; V37-V40 PolarHBondContact O-N 3.43Å; V37-E41 HydrophobicContact CG1-CG 4.36Å; V37-E41 PolarHBondContact O-N 2.96Å; V37-V82 HydrophobicContact CG1-CG1 4.06Å; V37-V82 HydrophobicContact CG2-CB 4.06Å; V37-V82 HydrophobicContact CG2-CG1 3.97Å; V37-V82 HydrophobicContact CG2-CG2 3.91Å; V37-L84 HydrophobicContact CG1-CD1 4.29Å; V37-L84 HydrophobicContact CG1-CD2 4.07Å; V37-V151 HydrophobicContact CG2-CG2 4.2Å
38R96.3Very high93.5Very high130 Ų13057.2 Ų57.249%0.49126%0.257SS..Hα-helixtrans-59.9-37.6176.4-168.4-174.2-54178.49111.7L34 D35 A36 V40 E41 E42L34-R38 WeakPolarHBondContact O-CB 3.48Å; L34-R38 PolarHBondContact O-N 2.86Å; D35-R38 VanDerWaalsContact O-CB 3.26Å; D35-R38 WeakPolarHBondContact O-CB 3.4Å; D35-R38 PolarHBondContact O-N 2.86Å; D35-R38 VanDerWaalsContact O-N 3.13Å; A36-R38 VanDerWaalsContact C-N 3.26Å; A36-R38 PolarHBondContact O-N 3.42Å; R38-V40 VanDerWaalsContact C-N 3.28Å; R38-V40 PolarHBondContact O-N 3.11Å; R38-E41 PolarHBondContact O-N 3.33Å; R38-E41 VanDerWaalsContact O-N 3.16Å; R38-E42 WeakPolarHBondContact CD-OE1 3.19Å; R38-E42 HydrophobicContact CG-CG 4.36Å; R38-E42 WeakPolarHBondContact CG-OE1 3.39Å; R38-E42 WeakPolarHBondContact O-CB 3.39Å; R38-E42 WeakPolarHBondContact O-CG 3.43Å; R38-E42 PolarHBondContact O-N 3.44Å
39T95.1Very high93.2Very high14 Ų1449.4 Ų49.49%0.08622%0.221CC..Hα-helixtrans-61.5-39.1175.9-53.40000110.9D35 A36 V37 E42 F43 D117 L121 R143D35-T39 PolarHBondContact O-N 3.23Å; A36-T39 WeakPolarHBondContact O-CB 3.4Å; A36-T39 PolarHBondContact O-N 3.46Å; V37-T39 PolarHBondContact O-N 3.21Å; T39-E42 PolarHBondContact O-N 3.34Å; T39-F43 WeakPolarHBondContact O-CB 3.36Å; T39-F43 PolarHBondContact O-N 2.73Å; T39-D117 HydrophobicContact CG2-CB 4.04Å; T39-L121 HydrophobicContact CG2-CD1 3.66Å; T39-R143 PolarHBondContact OG1-NH2 3.14Å
40V95.7Very high92.6Very high0 Ų054 Ų540%024%0.244CC..Hα-helixtrans-66.8-42.9174.3-174.20000111.6V37 R38 E42 L44 L84 M112 L118 I140 V151 I153V37-V40 WeakPolarHBondContact O-CB 3.35Å; V37-V40 PolarHBondContact O-N 3.43Å; R38-V40 VanDerWaalsContact C-N 3.28Å; R38-V40 PolarHBondContact O-N 3.11Å; V40-E42 VanDerWaalsContact C-N 3.35Å; V40-L44 HydrophobicContact CG1-CD1 4.28Å; V40-L44 VanDerWaalsContact O-CG 3.3Å; V40-L44 WeakPolarHBondContact O-CG 3.28Å; V40-L44 PolarHBondContact O-N 3.33Å; V40-L84 HydrophobicContact CB-CD1 4.5Å; V40-L84 HydrophobicContact CG1-CD1 4.03Å; V40-M112 HydrophobicContact CG1-CE 3.98Å; V40-L118 HydrophobicContact CB-CD2 4.48Å; V40-L118 HydrophobicContact CG2-CD2 3.87Å; V40-I140 HydrophobicContact CG2-CD1 3.77Å; V40-V151 HydrophobicContact CG1-CG1 4.47Å; V40-I153 HydrophobicContact CG1-CD1 4Å
41E95.8Very high91.4Very high13 Ų1351.4 Ų51.46%0.06124%0.238CC..Hα-helixtrans-62.3-41.3176.7-68.6-177.8-149.700112.3V37 R38 R45 V64 K66 L84V37-E41 HydrophobicContact CG1-CG 4.36Å; V37-E41 PolarHBondContact O-N 2.96Å; R38-E41 PolarHBondContact O-N 3.33Å; R38-E41 VanDerWaalsContact O-N 3.16Å; E41-R45 VanDerWaalsContact O-CG 3.32Å; E41-R45 WeakPolarHBondContact O-CG 3.39Å; E41-R45 PolarHBondContact O-N 2.91Å; E41-R45 VanDerWaalsContact O-N 3.16Å; E41-R45 IonicContact OE2-CZ 3.99Å; E41-R45 IonicContact OE2-NH2 3.65Å; E41-R45 PolarHBondContact OE2-NH2 3.18Å; E41-R45 VanDerWaalsContact OE2-NH2 3.07Å; E41-V64 HydrophobicContact CG-CG1 4.01Å; E41-K66 VanDerWaalsContact OE1-CD 3.27Å; E41-K66 WeakPolarHBondContact OE1-CD 3.23Å; E41-K66 WeakPolarHBondContact OE1-CE 3.4Å; E41-K66 WeakPolarHBondContact OE1-CG 3.37Å; E41-K66 IonicContact OE1-NZ 3.75Å; E41-K66 PolarHBondContact OE1-NZ 2.9Å; E41-K66 IonicContact OE2-NZ 2.83Å; E41-L84 HydrophobicContact CG-CD1 4.4Å; E41-L84 HydrophobicContact CG-CD2 4.41Å
42E95Very high90.1Very high85 Ų8554.4 Ų54.440%0.39725%0.25SC..Hα-helixtrans-67.1-47.3178.4-75.3169-176.600111.2R38 T39 V40 L44 R45 Q46R38-E42 WeakPolarHBondContact CD-OE1 3.19Å; R38-E42 HydrophobicContact CG-CG 4.36Å; R38-E42 WeakPolarHBondContact CG-OE1 3.39Å; R38-E42 WeakPolarHBondContact O-CB 3.39Å; R38-E42 WeakPolarHBondContact O-CG 3.43Å; R38-E42 PolarHBondContact O-N 3.44Å; T39-E42 PolarHBondContact O-N 3.34Å; V40-E42 VanDerWaalsContact C-N 3.35Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.23Å; E42-R45 PolarHBondContact O-N 2.94Å; E42-R45 VanDerWaalsContact O-N 3.15Å; E42-Q46 WeakPolarHBondContact O-CB 3.49Å; E42-Q46 WeakPolarHBondContact O-CG 3.49Å; E42-Q46 PolarHBondContact O-N 3.35Å
43F94.9Very high88.3Confident14 Ų1464 Ų646%0.06128%0.284CS..Hα-helixtrans-52-52.9172.4168.1-98.9000111.1T39 R45 Q46 E47 F49 T111 M112 L118T39-F43 WeakPolarHBondContact O-CB 3.36Å; T39-F43 PolarHBondContact O-N 2.73Å; F43-R45 VanDerWaalsContact C-N 3.26Å; F43-R45 PolarHBondContact O-N 3.35Å; F43-Q46 PolarHBondContact O-N 3.03Å; F43-E47 HydrophobicContact CE2-CB 4.19Å; F43-E47 HydrophobicContact CE2-CG 3.97Å; F43-E47 WeakPolarHBondContact CE2-OE2 3.09Å; F43-E47 HydrophobicContact CZ-CB 4.34Å; F43-E47 HydrophobicContact CZ-CG 4.02Å; F43-E47 WeakPolarHBondContact O-CB 3.46Å; F43-E47 PolarHBondContact O-N 3.25Å; F43-F49 HydrophobicContact CE1-CZ 4.4Å; F43-T111 HydrophobicContact CE2-CG2 4.41Å; F43-T111 HydrophobicContact CZ-CG2 4.01Å; F43-M112 HydrophobicContact CD1-CE 3.92Å; F43-M112 HydrophobicContact CD1-CG 4.2Å; F43-M112 HydrophobicContact CE1-CB 4.43Å; F43-M112 HydrophobicContact CE1-CE 3.9Å; F43-M112 HydrophobicContact CE1-CG 3.38Å; F43-M112 HydrophobicContact CZ-CG 3.89Å; F43-L118 HydrophobicContact CD1-CD1 3.79Å; F43-L118 HydrophobicContact CD2-CD1 4.27Å; F43-L118 HydrophobicContact CE1-CD1 4.07Å; F43-L118 HydrophobicContact CG-CD1 3.9Å; F43-L118 HydrophobicContact CG-CG 4.39Å; F43-L118 HydrophobicContact CZ-CD1 4.41Å
44L94.4Very high86.7Confident0 Ų067.4 Ų67.40%032%0.319CS..Hα-helixtrans-58.7-37.5-178.8-73.5171.9000112.7V40 E42 F49 V61 V64 L84 I108 M112 I153V40-L44 HydrophobicContact CG1-CD1 4.28Å; V40-L44 VanDerWaalsContact O-CG 3.3Å; V40-L44 WeakPolarHBondContact O-CG 3.28Å; V40-L44 PolarHBondContact O-N 3.33Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.23Å; L44-F49 HydrophobicContact CD2-CZ 4.41Å; L44-V61 HydrophobicContact CB-CG2 4.36Å; L44-V61 WeakPolarHBondContact O-CB 3.48Å; L44-V61 WeakPolarHBondContact O-CG2 3.41Å; L44-V64 HydrophobicContact CB-CG2 3.95Å; L44-V64 HydrophobicContact CD1-CG1 4.32Å; L44-V64 HydrophobicContact CD1-CG2 4.15Å; L44-L84 HydrophobicContact CD1-CD1 4.45Å; L44-I108 HydrophobicContact CD2-CG2 4.07Å; L44-M112 HydrophobicContact CD2-CE 4.2Å; L44-I153 HydrophobicContact CD1-CD1 4.07Å; L44-I153 HydrophobicContact CD1-CG2 4.4Å
45R92.9Very high85.4Confident128 Ų12866.3 Ų66.348%0.48331%0.313SS..Hα-helixtrans-79-31.5-177.1-73.1178.3-166.3155.212.8113.8E41 E42 F43 V64E41-R45 VanDerWaalsContact O-CG 3.32Å; E41-R45 WeakPolarHBondContact O-CG 3.39Å; E41-R45 PolarHBondContact O-N 2.91Å; E41-R45 VanDerWaalsContact O-N 3.16Å; E41-R45 IonicContact OE2-CZ 3.99Å; E41-R45 IonicContact OE2-NH2 3.65Å; E41-R45 PolarHBondContact OE2-NH2 3.18Å; E41-R45 VanDerWaalsContact OE2-NH2 3.07Å; E42-R45 PolarHBondContact O-N 2.94Å; E42-R45 VanDerWaalsContact O-N 3.15Å; F43-R45 VanDerWaalsContact C-N 3.26Å; F43-R45 PolarHBondContact O-N 3.35Å; R45-V64 HydrophobicContact CG-CG2 4.1Å
46Q91.2Very high84.4Confident141 Ų14166.8 Ų66.866%0.65932%0.316SS*.Hα-helixtrans-90.5-23.7-175.9-66.4176.511.100112.5E42 F43 H48E42-Q46 WeakPolarHBondContact O-CB 3.49Å; E42-Q46 WeakPolarHBondContact O-CG 3.49Å; E42-Q46 PolarHBondContact O-N 3.35Å; F43-Q46 PolarHBondContact O-N 3.03Å; Q46-H48 PolarHBondContact O-CD2 3.03Å
47E89.6Confident83.3Confident66 Ų6675 Ų7531%0.30835%0.354SS..  trans-76.1134.8-175.2-165.765.5-146.400112.4F43 F49 T111F43-E47 HydrophobicContact CE2-CB 4.19Å; F43-E47 HydrophobicContact CE2-CG 3.97Å; F43-E47 WeakPolarHBondContact CE2-OE2 3.09Å; F43-E47 HydrophobicContact CZ-CB 4.34Å; F43-E47 HydrophobicContact CZ-CG 4.02Å; F43-E47 WeakPolarHBondContact O-CB 3.46Å; F43-E47 PolarHBondContact O-N 3.25Å; E47-F49 HydrophobicContact CB-CE1 4.33Å; E47-F49 HydrophobicContact CB-CE2 3.87Å; E47-F49 HydrophobicContact CB-CZ 3.74Å; E47-F49 HydrophobicContact CG-CD1 4.27Å; E47-F49 HydrophobicContact CG-CE1 3.86Å; E47-F49 HydrophobicContact CG-CE2 4.17Å; E47-F49 HydrophobicContact CG-CZ 3.8Å; E47-F49 WeakPolarHBondContact O-CE2 3.05Å; E47-T111 VanDerWaalsContact CD-CG2 3.49Å; E47-T111 HydrophobicContact CG-CG2 3.48Å; E47-T111 VanDerWaalsContact CG-CG2 3.48Å; E47-T111 VanDerWaalsContact OE1-CG2 3.26Å; E47-T111 WeakPolarHBondContact OE1-CG2 3.16Å
48H85.8Confident82.8Confident100 Ų10077.5 Ų77.546%0.46337%0.368SS..  trans-101.1107.5174.8-78.9-117.3000109.7Q46 Q50 D58 Q60Q46-H48 PolarHBondContact O-CD2 3.03Å; H48-Q50 PolarHBondContact O-N 2.78Å; H48-D58 WeakPolarHBondContact CB-OD1 3.35Å; H48-D58 IonicContact CE1-OD2 3.77Å; H48-D58 PolarHBondContact CE1-OD2 2.79Å; H48-D58 IonicContact CG-OD1 3.73Å; H48-D58 IonicContact ND1-OD1 3.64Å; H48-D58 PolarHBondContact ND1-OD1 2.77Å; H48-D58 VanDerWaalsContact ND1-OD1 3.11Å; H48-D58 IonicContact ND1-OD2 2.69Å; H48-D58 PolarHBondContact ND1-OD2 2.93Å; H48-Q60 PolarHBondContact CE1-NE2 2.99Å
49F84.6Confident82.5Confident2 Ų271.3 Ų71.31%0.00934%0.344CS..EExtended strand (participates in β ladder)trans-88.6112.4-174.2-57.6-90000110.4F43 L44 E47 G51 V59 V61 L107 I108 T111F43-F49 HydrophobicContact CE1-CZ 4.4Å; L44-F49 HydrophobicContact CD2-CZ 4.41Å; E47-F49 HydrophobicContact CB-CE1 4.33Å; E47-F49 HydrophobicContact CB-CE2 3.87Å; E47-F49 HydrophobicContact CB-CZ 3.74Å; E47-F49 HydrophobicContact CG-CD1 4.27Å; E47-F49 HydrophobicContact CG-CE1 3.86Å; E47-F49 HydrophobicContact CG-CE2 4.17Å; E47-F49 HydrophobicContact CG-CZ 3.8Å; E47-F49 WeakPolarHBondContact O-CE2 3.05Å; F49-G51 PolarHBondContact O-N 3.2Å; F49-V59 HydrophobicContact CB-CB 4.06Å; F49-V59 WeakPolarHBondContact CB-O 3.47Å; F49-V59 WeakPolarHBondContact CD2-O 3.36Å; F49-V59 PolarHBondContact N-O 3.47Å; F49-V59 WeakPolarHBondContact O-CB 3.39Å; F49-V59 PolarHBondContact O-N 3.15Å; F49-V61 HydrophobicContact CE2-CG2 3.86Å; F49-L107 HydrophobicContact CB-CD1 4.49Å; F49-L107 HydrophobicContact CB-CD2 3.6Å; F49-L107 HydrophobicContact CB-CG 3.89Å; F49-L107 HydrophobicContact CD1-CG 4.25Å; F49-L107 HydrophobicContact CG-CG 4.49Å; F49-I108 HydrophobicContact CD1-CG1 4.49Å; F49-I108 HydrophobicContact CE1-CB 4.38Å; F49-I108 HydrophobicContact CE1-CG1 4.14Å; F49-I108 HydrophobicContact CZ-CG1 4.41Å; F49-T111 HydrophobicContact CD1-CG2 4.31Å; F49-T111 HydrophobicContact CE1-CG2 4.15Å
50Q79.3Confident82.3Confident130 Ų13074.3 Ų74.361%0.60736%0.357SS*.EExtended strand (participates in β ladder)trans-69105.7178.3-65.5-64.4-47.100111.1H48 L107H48-Q50 PolarHBondContact O-N 2.78Å; Q50-L107 WeakPolarHBondContact O-CD1 3.36Å
51G68.9Low82.3Confident19 Ų1974.8 Ų74.820%0.19636%0.36CS..  trans-68.2153.7-178.600000112.8F49 D56 Q57F49-G51 PolarHBondContact O-N 3.2Å; G51-D56 WeakPolarHBondContact CA-O 3.45Å; G51-Q57 PolarHBondContact N-O 2.76Å
52K66.4Low82.2Confident161 Ų16178.1 Ų78.170%0.738%0.378SS*.  trans-124.7141.5171.5-69.3-173.8177.1-172.70109.6
53R55.9Low82.2Confident240 Ų24076.9 Ų76.991%0.90637%0.371SS*.THydrogen-bonded Turntrans35.496.8170.4-70.9-171.2-176.2-151.91.3115.3L55R53-L55 VanDerWaalsContact C-N 3.28Å; R53-L55 PolarHBondContact O-N 3.1Å
54G60.4Low82.2Confident71 Ų7176.6 Ų76.673%0.73237%0.37SS*.THydrogen-bonded Turntrans86.6-10.2171.400000115
55L66.6Low82.3Confident21 Ų2176.9 Ų76.911%0.1137%0.372CS..SBendtrans-89155.8161.1-74.3164.6000110.3R53 V59 C90 H100 E103 V104R53-L55 VanDerWaalsContact C-N 3.28Å; R53-L55 PolarHBondContact O-N 3.1Å; L55-V59 HydrophobicContact CB-CG2 4.46Å; L55-C90 HydrophobicContact CD2-CB 3.78Å; L55-H100 HydrophobicContact CD2-CB 3.86Å; L55-H100 HydrophobicContact CG-CB 4.42Å; L55-E103 HydrophobicContact CD1-CB 4.17Å; L55-V104 HydrophobicContact CD1-CG2 4.27Å; L55-V104 HydrophobicContact CD2-CG2 4.15Å
56D73.6Confident82.4Confident67 Ų6773.7 Ų73.736%0.35836%0.362SS..  trans-53.5145.4170.7-67.3-28.9000110.7G51 D58 V59 C90 H92G51-D56 WeakPolarHBondContact CA-O 3.45Å; D56-D58 VanDerWaalsContact C-N 3.26Å; D56-D58 PolarHBondContact O-N 3.24Å; D56-V59 WeakPolarHBondContact O-CG2 3.39Å; D56-C90 HydrophobicContact CB-CB 4.38Å; D56-C90 WeakPolarHBondContact OD2-CA 3.5Å; D56-H92 IonicContact OD2-CE1 3.13Å; D56-H92 IonicContact OD2-NE2 3.27Å; D56-H92 PolarHBondContact OD2-NE2 2.85Å
57Q72Confident82.5Confident172 Ų17267.6 Ų67.680%0.80433%0.334SS*.SBendtrans-60.4-38.3-178.2-75.2-179.8-10.700111.9G51G51-Q57 PolarHBondContact N-O 2.76Å
58D85.3Confident82.6Confident54 Ų5465.2 Ų65.229%0.28933%0.327SS..EExtended strand (participates in β ladder)trans-118.2104.9176-172.731.8000109.7H48 D56 Q60H48-D58 WeakPolarHBondContact CB-OD1 3.35Å; H48-D58 IonicContact CE1-OD2 3.77Å; H48-D58 PolarHBondContact CE1-OD2 2.79Å; H48-D58 IonicContact CG-OD1 3.73Å; H48-D58 IonicContact ND1-OD1 3.64Å; H48-D58 PolarHBondContact ND1-OD1 2.77Å; H48-D58 VanDerWaalsContact ND1-OD1 3.11Å; H48-D58 IonicContact ND1-OD2 2.69Å; H48-D58 PolarHBondContact ND1-OD2 2.93Å; D56-D58 VanDerWaalsContact C-N 3.26Å; D56-D58 PolarHBondContact O-N 3.24Å; D58-Q60 PolarHBondContact OD2-NE2 3.1Å
59V88.4Confident83Confident0 Ų061.2 Ų61.20%031%0.31CS..EExtended strand (participates in β ladder)trans-94.3125.1178.4179.80000108.6F49 L55 D56 L88 C90F49-V59 HydrophobicContact CB-CB 4.06Å; F49-V59 WeakPolarHBondContact CB-O 3.47Å; F49-V59 WeakPolarHBondContact CD2-O 3.36Å; F49-V59 PolarHBondContact N-O 3.47Å; F49-V59 WeakPolarHBondContact O-CB 3.39Å; F49-V59 PolarHBondContact O-N 3.15Å; L55-V59 HydrophobicContact CB-CG2 4.46Å; D56-V59 WeakPolarHBondContact O-CG2 3.39Å; V59-L88 HydrophobicContact CG1-CB 4.45Å; V59-L88 HydrophobicContact CG1-CD2 3.64Å; V59-C90 HydrophobicContact CB-CB 4.42Å; V59-C90 HydrophobicContact CG1-CB 3.93Å; V59-C90 VanDerWaalsContact CG1-SG 3.51Å; V59-C90 HydrophobicContact CG2-CB 3.81Å
60Q92.4Very high83.4Confident77 Ų7762 Ų6236%0.3631%0.314SS..  trans-121.3148.9-178.6-64.1178.37.400110.7H48 D58 L62 L88 S89H48-Q60 PolarHBondContact CE1-NE2 2.99Å; D58-Q60 PolarHBondContact OD2-NE2 3.1Å; Q60-L62 PolarHBondContact O-N 3.5Å; Q60-L88 WeakPolarHBondContact O-CA 3.19Å; Q60-S89 PolarHBondContact N-OG 3.02Å; Q60-S89 PolarHBondContact O-N 3.4Å; Q60-S89 PolarHBondContact O-OG 3.29Å
61V94.8Very high84Confident10 Ų1056.2 Ų56.26%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-88.3105.3170.7-177.70000109L44 F49 K63 V64 A86 F87L44-V61 HydrophobicContact CB-CG2 4.36Å; L44-V61 WeakPolarHBondContact O-CB 3.48Å; L44-V61 WeakPolarHBondContact O-CG2 3.41Å; F49-V61 HydrophobicContact CE2-CG2 3.86Å; V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 3.35Å; V61-V64 HydrophobicContact CG1-CG2 3.52Å; V61-A86 HydrophobicContact CG1-CB 3.93Å; V61-F87 CarbonylContact C-O 3.48Å; V61-F87 WeakPolarHBondContact CA-O 3.2Å
62L93.5Very high85.1Confident83 Ų8355.7 Ų55.744%0.43528%0.282SS..EExtended strand (participates in β ladder)trans-66.5-32.9-178.7-60.4179.1000112.9Q60 F87Q60-L62 PolarHBondContact O-N 3.5Å; L62-F87 PolarHBondContact N-O 3.16Å
63K94.8Very high86.3Confident58 Ų5849.2 Ų49.225%0.25226%0.261SS..EExtended strand (participates in β ladder)trans-161.4141.6-175.9-176.3174.7-178.9179.20110.4V61 I65 F87 E193V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 3.35Å; K63-I65 HydrophobicContact CD-CG2 4.27Å; K63-I65 HydrophobicContact CG-CG2 4.12Å; K63-F87 HydrophobicContact CB-CB 4.2Å; K63-F87 HydrophobicContact CB-CD2 3.87Å; K63-F87 HydrophobicContact CB-CG 4.45Å; K63-F87 HydrophobicContact CD-CD2 4.25Å; K63-F87 HydrophobicContact CD-CE2 4.48Å; K63-F87 HydrophobicContact CG-CD2 4.09Å; K63-F87 PolarHBondContact O-N 3.15Å; K63-E193 VanDerWaalsContact CE-OE1 3.25Å; K63-E193 WeakPolarHBondContact CE-OE1 3.37Å; K63-E193 IonicContact NZ-OE1 3.37Å; K63-E193 PolarHBondContact NZ-OE1 2.92Å; K63-E193 IonicContact NZ-OE2 3.38Å; K63-E193 PolarHBondContact NZ-OE2 3.19Å
64V96.1Very high88.2Confident8 Ų837.8 Ų37.85%0.04822%0.218CC..EExtended strand (participates in β ladder)trans-120.6131171.1-175.20000108.6E41 L44 R45 V61 L84 V85E41-V64 HydrophobicContact CG-CG1 4.01Å; L44-V64 HydrophobicContact CB-CG2 3.95Å; L44-V64 HydrophobicContact CD1-CG1 4.32Å; L44-V64 HydrophobicContact CD1-CG2 4.15Å; R45-V64 HydrophobicContact CG-CG2 4.1Å; V61-V64 HydrophobicContact CG1-CG2 3.52Å; V64-L84 HydrophobicContact CG1-CB 4.28Å; V64-L84 HydrophobicContact CG1-CD1 4.38Å; V64-L84 HydrophobicContact CG1-CD2 4.32Å; V64-V85 WeakPolarHBondContact CA-O 3.32Å
65I95.1Very high89.8Confident7 Ų734.5 Ų34.54%0.03618%0.183CC..EExtended strand (participates in β ladder)trans-122.7138.2176.461.1169.9000110.8K63 V67 L84 V85 F87 E193K63-I65 HydrophobicContact CD-CG2 4.27Å; K63-I65 HydrophobicContact CG-CG2 4.12Å; I65-V67 HydrophobicContact CD1-CG1 3.7Å; I65-V67 HydrophobicContact CG1-CG1 3.84Å; I65-L84 WeakPolarHBondContact O-CA 3.32Å; I65-V85 HydrophobicContact CD1-CB 4.02Å; I65-V85 HydrophobicContact CD1-CG1 4.46Å; I65-V85 HydrophobicContact CG1-CB 3.66Å; I65-V85 HydrophobicContact CG1-CG1 4.38Å; I65-V85 PolarHBondContact N-O 2.97Å; I65-V85 PolarHBondContact O-N 2.81Å; I65-F87 HydrophobicContact CD1-CE2 3.69Å; I65-F87 HydrophobicContact CD1-CZ 3.98Å; I65-F87 HydrophobicContact CG1-CE2 3.87Å; I65-F87 HydrophobicContact CG2-CE2 4.13Å; I65-E193 HydrophobicContact CD1-CG 3.57Å; I65-E193 HydrophobicContact CG2-CG 4.2Å
66K95.9Very high91.2Very high60 Ų6033.5 Ų33.526%0.26118%0.178SC..EExtended strand (participates in β ladder)trans-78.9128.1165.7-74.9171.6-74.8-124.90109.5L34 E41 G71 L84 R196L34-K66 HydrophobicContact CD2-CD 3.89Å; E41-K66 VanDerWaalsContact OE1-CD 3.27Å; E41-K66 WeakPolarHBondContact OE1-CD 3.23Å; E41-K66 WeakPolarHBondContact OE1-CE 3.4Å; E41-K66 WeakPolarHBondContact OE1-CG 3.37Å; E41-K66 IonicContact OE1-NZ 3.75Å; E41-K66 PolarHBondContact OE1-NZ 2.9Å; E41-K66 IonicContact OE2-NZ 2.83Å; K66-G71 WeakPolarHBondContact O-CA 3.42Å; K66-L84 HydrophobicContact CB-CD2 4.37Å; K66-L84 HydrophobicContact CG-CD2 3.48Å; K66-L84 VanDerWaalsContact CG-CD2 3.48Å; K66-R196 VanDerWaalsContact O-CD 3.29Å; K66-R196 WeakPolarHBondContact O-CD 3.15Å
67V94.3Very high92Very high13 Ų1334.5 Ų34.58%0.07918%0.177CC..EExtended strand (participates in β ladder)trans-123.3-169.6179.9-56.70000109.7I65 G71 E83 V85I65-V67 HydrophobicContact CD1-CG1 3.7Å; I65-V67 HydrophobicContact CG1-CG1 3.84Å; V67-G71 PolarHBondContact O-N 3.44Å; V67-G71 VanDerWaalsContact O-N 3.09Å; V67-E83 HydrophobicContact CG2-CB 3.52Å; V67-E83 PolarHBondContact N-O 2.94Å; V67-V85 HydrophobicContact CG1-CB 4.45Å; V67-V85 HydrophobicContact CG1-CG2 3.91Å; V67-V85 HydrophobicContact CG2-CG2 3.96Å
68G91.5Very high92.8Very high16 Ų1629 Ų2917%0.16516%0.158CC..Hα-helixtrans58.4-149.4-178.500000112.9F70 G71 N72G68-F70 VanDerWaalsContact C-N 3.32Å; G68-F70 PolarHBondContact O-N 3.38Å; G68-G71 PolarHBondContact O-N 3.12Å; G68-N72 WeakPolarHBondContact O-CB 3.18Å; G68-N72 PolarHBondContact O-N 3.08Å; G68-N72 PolarHBondContact O-ND2 3.35Å; G68-N72 PolarHBondContact O-OD1 2.95Å
69S92.6Very high93.1Very high16 Ų1627 Ų2711%0.11215%0.147CC..Hα-helixtrans-58.6-40.3-172.6-550000113.6G73 T74 V75 K214S69-G73 PolarHBondContact O-N 2.97Å; S69-G73 VanDerWaalsContact O-N 3.1Å; S69-T74 PolarHBondContact O-N 3.31Å; S69-V75 VanDerWaalsContact O-CG2 3.31Å; S69-V75 WeakPolarHBondContact O-CG2 3.36Å; S69-V75 PolarHBondContact O-N 3.06Å; S69-K214 PolarHBondContact OG-NZ 2.83Å
70F93.3Very high93.1Very high19 Ų1931.9 Ų31.98%0.08317%0.166CC..Hα-helixtrans-70.7-43.9179-82.2-93.5000112.1W29 K30 V33 L34 G68 V75 T79 E81 V82W29-F70 HydrophobicContact CH2-CZ 4.06Å; W29-F70 HydrophobicContact CZ3-CZ 4.27Å; K30-F70 HydrophobicContact CG-CE1 4.34Å; V33-F70 HydrophobicContact CB-CE1 4.35Å; V33-F70 HydrophobicContact CB-CZ 4.43Å; V33-F70 HydrophobicContact CG1-CE1 3.85Å; V33-F70 HydrophobicContact CG1-CZ 3.73Å; L34-F70 HydrophobicContact CD2-CD1 4.05Å; G68-F70 VanDerWaalsContact C-N 3.32Å; G68-F70 PolarHBondContact O-N 3.38Å; F70-V75 VanDerWaalsContact CA-CG2 3.48Å; F70-V75 HydrophobicContact CB-CG2 4.15Å; F70-V75 HydrophobicContact CD1-CG2 3.76Å; F70-V75 HydrophobicContact CD2-CG2 3.82Å; F70-V75 HydrophobicContact CE1-CG1 4.36Å; F70-V75 HydrophobicContact CE1-CG2 4.07Å; F70-V75 HydrophobicContact CE2-CG1 4.15Å; F70-V75 HydrophobicContact CE2-CG2 4.12Å; F70-V75 HydrophobicContact CG-CG2 3.63Å; F70-V75 HydrophobicContact CZ-CG1 4Å; F70-V75 HydrophobicContact CZ-CG2 4.24Å; F70-T79 HydrophobicContact CD2-CG2 4.39Å; F70-T79 HydrophobicContact CE2-CG2 3.81Å; F70-E81 WeakPolarHBondContact CD2-O 3.33Å; F70-E81 WeakPolarHBondContact CE2-O 3.34Å; F70-V82 HydrophobicContact CB-CG1 4.47Å; F70-V82 HydrophobicContact CD2-CB 4.36Å; F70-V82 HydrophobicContact CD2-CG1 4.46Å; F70-V82 HydrophobicContact CD2-CG2 3.68Å; F70-V82 HydrophobicContact CE1-CG2 4.44Å; F70-V82 HydrophobicContact CE2-CG2 3.57Å; F70-V82 HydrophobicContact CG-CG1 4.45Å; F70-V82 HydrophobicContact CG-CG2 4.18Å; F70-V82 HydrophobicContact CZ-CG2 3.98Å
71G91.8Very high93.2Very high9 Ų931.9 Ų31.99%0.09317%0.166CC..Hα-helixtrans-65.3-38.3176.100000113.1K66 V67 G68 R196K66-G71 WeakPolarHBondContact O-CA 3.42Å; V67-G71 PolarHBondContact O-N 3.44Å; V67-G71 VanDerWaalsContact O-N 3.09Å; G68-G71 PolarHBondContact O-N 3.12Å; G71-R196 WeakPolarHBondContact O-CG 3.46Å
72N91.6Very high93.3Very high7 Ų731.4 Ų31.44%0.03716%0.163CC..Hα-helixtrans-83.2-14.6-174.9-63.8-4.5000112.5G68 T74 R196 V199 K207 E237G68-N72 WeakPolarHBondContact O-CB 3.18Å; G68-N72 PolarHBondContact O-N 3.08Å; G68-N72 PolarHBondContact O-ND2 3.35Å; G68-N72 PolarHBondContact O-OD1 2.95Å; N72-T74 VanDerWaalsContact C-N 3.35Å; N72-T74 HydrophobicContact CB-CG2 4.37Å; N72-R196 VanDerWaalsContact OD1-CA 3.22Å; N72-R196 WeakPolarHBondContact OD1-CA 3.48Å; N72-R196 VanDerWaalsContact OD1-CG 3.3Å; N72-R196 WeakPolarHBondContact OD1-CG 3.29Å; N72-V199 HydrophobicContact CB-CB 4.08Å; N72-V199 HydrophobicContact CB-CG1 3.84Å; N72-K207 PolarHBondContact O-NZ 3.06Å; N72-E237 PolarHBondContact ND2-OE2 3.37Å
73G92.9Very high93.4Very high25 Ų2530.7 Ų30.726%0.25816%0.157SC..THydrogen-bonded Turntrans6934.1-172.300000112.8S69 R211S69-G73 PolarHBondContact O-N 2.97Å; S69-G73 VanDerWaalsContact O-N 3.1Å; G73-R211 PolarHBondContact O-NH2 2.88Å
74T95.1Very high93.5Very high0 Ų028 Ų280%015%0.145CC..  trans-120.127.6176.657.60000111.5S69 N72 V199 K207 L210 K214 E237S69-T74 PolarHBondContact O-N 3.31Å; N72-T74 VanDerWaalsContact C-N 3.35Å; N72-T74 HydrophobicContact CB-CG2 4.37Å; T74-V199 HydrophobicContact CG2-CG1 4.09Å; T74-K207 HydrophobicContact CG2-CD 3.88Å; T74-L210 HydrophobicContact CG2-CB 4.08Å; T74-L210 HydrophobicContact CG2-CD1 3.97Å; T74-K214 PolarHBondContact O-NZ 3.19Å; T74-K214 VanDerWaalsContact O-NZ 3.13Å; T74-K214 PolarHBondContact OG1-NZ 3.36Å; T74-E237 PolarHBondContact OG1-OE1 3.49Å
75V95.4Very high93.6Very high2 Ų227.7 Ų27.71%0.01214%0.144CC..  trans-59.3135.3174.5-177.40000110.4P25 W29 S69 F70 R211P25-V75 HydrophobicContact CB-CG1 4.3Å; P25-V75 WeakPolarHBondContact CD-O 3.48Å; P25-V75 HydrophobicContact CG-CB 4.14Å; P25-V75 HydrophobicContact CG-CG1 3.88Å; W29-V75 HydrophobicContact CZ3-CG1 4.12Å; S69-V75 VanDerWaalsContact O-CG2 3.31Å; S69-V75 WeakPolarHBondContact O-CG2 3.36Å; S69-V75 PolarHBondContact O-N 3.06Å; F70-V75 VanDerWaalsContact CA-CG2 3.48Å; F70-V75 HydrophobicContact CB-CG2 4.15Å; F70-V75 HydrophobicContact CD1-CG2 3.76Å; F70-V75 HydrophobicContact CD2-CG2 3.82Å; F70-V75 HydrophobicContact CE1-CG1 4.36Å; F70-V75 HydrophobicContact CE1-CG2 4.07Å; F70-V75 HydrophobicContact CE2-CG1 4.15Å; F70-V75 HydrophobicContact CE2-CG2 4.12Å; F70-V75 HydrophobicContact CG-CG2 3.63Å; F70-V75 HydrophobicContact CZ-CG1 4Å; F70-V75 HydrophobicContact CZ-CG2 4.24Å; V75-R211 PolarHBondContact O-NE 3.19Å; V75-R211 VanDerWaalsContact O-NE 3.1Å
76L94.4Very high93.7Very high1 Ų127.4 Ų27.41%0.00514%0.142CC..  trans-100.4153.6169-61.5174.9000110.4L23 S78 T79 R211 K214 H215L23-L76 HydrophobicContact CB-CD2 4.1Å; L23-L76 HydrophobicContact CD1-CD2 4.48Å; L23-L76 CarbonylContact O-C 3.56Å; L23-L76 WeakPolarHBondContact O-CA 3.33Å; L76-S78 PolarHBondContact O-N 3.22Å; L76-T79 WeakPolarHBondContact CA-OG1 3.45Å; L76-T79 WeakPolarHBondContact CB-OG1 3.47Å; L76-T79 PolarHBondContact N-OG1 3.18Å; L76-T79 WeakPolarHBondContact O-CB 3.28Å; L76-T79 PolarHBondContact O-N 3.28Å; L76-T79 PolarHBondContact O-OG1 3.36Å; L76-R211 HydrophobicContact CD2-CB 3.59Å; L76-R211 HydrophobicContact CD2-CG 3.79Å; L76-R211 WeakPolarHBondContact CD2-O 3.11Å; L76-K214 HydrophobicContact CD1-CB 3.91Å; L76-H215 HydrophobicContact CD1-CB 4.23Å; L76-H215 HydrophobicContact CD2-CB 4.47Å
77R91.6Very high93.7Very high88 Ų8824.6 Ų24.633%0.33213%0.13SC..THydrogen-bonded Turntrans-53.7-33.2172.1-175.3-178.9-66.4-113.8-8.1113.8Q21 W22 L23 Q24 H26 T79Q21-R77 PolarHBondContact O-NH2 3.21Å; Q21-R77 VanDerWaalsContact O-NH2 3.14Å; W22-R77 WeakPolarHBondContact O-CD 3.37Å; W22-R77 PolarHBondContact O-NE 2.76Å; L23-R77 PolarHBondContact O-N 3.34Å; Q24-R77 PolarHBondContact O-NE 3.32Å; Q24-R77 PolarHBondContact O-NH2 2.93Å; H26-R77 PolarHBondContact CD2-NH1 2.89Å; H26-R77 PolarHBondContact NE2-NH1 3.44Å; H26-R77 PolarHBondContact NE2-NH2 3.42Å; R77-T79 VanDerWaalsContact C-N 3.29Å; R77-T79 PolarHBondContact O-N 3.13Å
78S88.3Confident93.7Very high56 Ų5624 Ų2439%0.39213%0.127SC..THydrogen-bonded Turntrans-82.6-0.617756.90000114.1L76 R80L76-S78 PolarHBondContact O-N 3.22Å; S78-R80 PolarHBondContact O-N 2.83Å
79T90.8Very high93.7Very high11 Ų1124.5 Ų24.57%0.06713%0.127CC..  trans-73.3125.8-175.9-52.60000109.6W29 F70 L76 R77W29-T79 WeakPolarHBondContact CH2-O 3Å; W29-T79 WeakPolarHBondContact CZ2-O 3.4Å; F70-T79 HydrophobicContact CD2-CG2 4.39Å; F70-T79 HydrophobicContact CE2-CG2 3.81Å; L76-T79 WeakPolarHBondContact CA-OG1 3.45Å; L76-T79 WeakPolarHBondContact CB-OG1 3.47Å; L76-T79 PolarHBondContact N-OG1 3.18Å; L76-T79 WeakPolarHBondContact O-CB 3.28Å; L76-T79 PolarHBondContact O-N 3.28Å; L76-T79 PolarHBondContact O-OG1 3.36Å; R77-T79 VanDerWaalsContact C-N 3.29Å; R77-T79 PolarHBondContact O-N 3.13Å
80R90.1Very high93.6Very high104 Ų10424 Ų2439%0.39212%0.124SC..  trans-121.17.4176.4-57.4-61.2-176173.65.4113S78 E147 T150S78-R80 PolarHBondContact O-N 2.83Å; R80-E147 IonicContact CZ-OE2 2.68Å; R80-E147 IonicContact NH1-OE1 3.39Å; R80-E147 IonicContact NH1-OE2 2.8Å; R80-E147 PolarHBondContact NH1-OE2 3Å; R80-E147 IonicContact NH2-OE1 3.3Å; R80-E147 PolarHBondContact NH2-OE1 3.27Å; R80-E147 IonicContact NH2-OE2 3.5Å; R80-T150 PolarHBondContact O-N 3.37Å
81E93.5Very high93.6Very high76 Ų7623.5 Ų23.536%0.35512%0.122SC..EExtended strand (participates in β ladder)trans-118.6136.6-177.7-170.8177.5-175.900111.7F70 R131 T150 T152F70-E81 WeakPolarHBondContact CD2-O 3.33Å; F70-E81 WeakPolarHBondContact CE2-O 3.34Å; E81-R131 IonicContact OE1-NH1 2.86Å; E81-T150 CarbonylContact C-O 3.5Å; E81-T150 VanDerWaalsContact CA-O 3.25Å; E81-T150 WeakPolarHBondContact CA-O 3.26Å; E81-T150 HydrophobicContact CG-CG2 4.34Å; E81-T152 PolarHBondContact OE1-OG1 3.42Å
82V96.1Very high93.6Very high0 Ų028.2 Ų28.20%014%0.141CC..EExtended strand (participates in β ladder)trans-121.2126.1172.9-175.40000109.2V33 V37 F70 L84 I149 T150 V151 T152V33-V82 HydrophobicContact CG1-CG2 3.84Å; V37-V82 HydrophobicContact CG1-CG1 4.06Å; V37-V82 HydrophobicContact CG2-CB 4.06Å; V37-V82 HydrophobicContact CG2-CG1 3.97Å; V37-V82 HydrophobicContact CG2-CG2 3.91Å; F70-V82 HydrophobicContact CB-CG1 4.47Å; F70-V82 HydrophobicContact CD2-CB 4.36Å; F70-V82 HydrophobicContact CD2-CG1 4.46Å; F70-V82 HydrophobicContact CD2-CG2 3.68Å; F70-V82 HydrophobicContact CE1-CG2 4.44Å; F70-V82 HydrophobicContact CE2-CG2 3.57Å; F70-V82 HydrophobicContact CG-CG1 4.45Å; F70-V82 HydrophobicContact CG-CG2 4.18Å; F70-V82 HydrophobicContact CZ-CG2 3.98Å; V82-L84 HydrophobicContact CG1-CD2 4.43Å; V82-I149 HydrophobicContact CG2-CG2 3.92Å; V82-T150 PolarHBondContact N-O 2.81Å; V82-V151 CarbonylContact O-C 3.59Å; V82-V151 VanDerWaalsContact O-CA 3.32Å; V82-V151 WeakPolarHBondContact O-CA 3.44Å; V82-T152 PolarHBondContact O-N 3.1Å
83E96.4Very high93.7Very high69 Ų6929.2 Ų29.232%0.32215%0.149SC..EExtended strand (participates in β ladder)trans-103.5130.3-179.3-63.5168.8-120.500110.6V67 T152V67-E83 HydrophobicContact CG2-CB 3.52Å; V67-E83 PolarHBondContact N-O 2.94Å; E83-T152 HydrophobicContact CB-CG2 4.33Å; E83-T152 HydrophobicContact CG-CG2 4.07Å
84L97.6Very high93.7Very high0 Ų028.2 Ų28.20%014%0.137CC..EExtended strand (participates in β ladder)trans-119.5136.9177-59.3-178.2000109.8V37 V40 E41 L44 V64 I65 K66 V82 V151 T152 I153 V154V37-L84 HydrophobicContact CG1-CD1 4.29Å; V37-L84 HydrophobicContact CG1-CD2 4.07Å; V40-L84 HydrophobicContact CB-CD1 4.5Å; V40-L84 HydrophobicContact CG1-CD1 4.03Å; E41-L84 HydrophobicContact CG-CD1 4.4Å; E41-L84 HydrophobicContact CG-CD2 4.41Å; L44-L84 HydrophobicContact CD1-CD1 4.45Å; V64-L84 HydrophobicContact CG1-CB 4.28Å; V64-L84 HydrophobicContact CG1-CD1 4.38Å; V64-L84 HydrophobicContact CG1-CD2 4.32Å; I65-L84 WeakPolarHBondContact O-CA 3.32Å; K66-L84 HydrophobicContact CB-CD2 4.37Å; K66-L84 HydrophobicContact CG-CD2 3.48Å; K66-L84 VanDerWaalsContact CG-CD2 3.48Å; V82-L84 HydrophobicContact CG1-CD2 4.43Å; L84-V151 HydrophobicContact CD1-CG1 3.76Å; L84-V151 HydrophobicContact CG-CG1 4.06Å; L84-T152 PolarHBondContact N-O 3.25Å; L84-I153 HydrophobicContact CB-CG1 4.22Å; L84-I153 HydrophobicContact CD1-CG1 4.27Å; L84-I153 WeakPolarHBondContact O-CA 3.42Å; L84-V154 PolarHBondContact O-N 2.92Å
85V97.3Very high93.5Very high3 Ų332.8 Ų32.82%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-109124.7164.6175.70000108.2V64 I65 V67 F87 V154 A156 P189V64-V85 WeakPolarHBondContact CA-O 3.32Å; I65-V85 HydrophobicContact CD1-CB 4.02Å; I65-V85 HydrophobicContact CD1-CG1 4.46Å; I65-V85 HydrophobicContact CG1-CB 3.66Å; I65-V85 HydrophobicContact CG1-CG1 4.38Å; I65-V85 PolarHBondContact N-O 2.97Å; I65-V85 PolarHBondContact O-N 2.81Å; V67-V85 HydrophobicContact CG1-CB 4.45Å; V67-V85 HydrophobicContact CG1-CG2 3.91Å; V67-V85 HydrophobicContact CG2-CG2 3.96Å; V85-F87 HydrophobicContact CG1-CE1 4.39Å; V85-F87 HydrophobicContact CG1-CE2 4.22Å; V85-F87 HydrophobicContact CG1-CZ 4.1Å; V85-V154 WeakPolarHBondContact CA-O 3.48Å; V85-V154 HydrophobicContact CG2-CB 4.38Å; V85-A156 HydrophobicContact CG1-CB 3.55Å; V85-P189 HydrophobicContact CG1-CB 4.21Å; V85-P189 HydrophobicContact CG2-CB 4.44Å
86A96.9Very high93.3Very high0 Ų036 Ų360%017%0.173CC..EExtended strand (participates in β ladder)trans-104123.2176.500000108.9V61 L88 I153 V154 P155 A156V61-A86 HydrophobicContact CG1-CB 3.93Å; A86-L88 HydrophobicContact CB-CD1 4.38Å; A86-L88 WeakPolarHBondContact O-CD1 3.37Å; A86-I153 HydrophobicContact CB-CG2 4.21Å; A86-V154 PolarHBondContact N-O 2.73Å; A86-P155 CarbonylContact O-C 3.57Å; A86-P155 WeakPolarHBondContact O-CA 3.48Å; A86-A156 PolarHBondContact O-N 2.95Å
87F96.1Very high93.2Very high2 Ų236.2 Ų36.21%0.00918%0.176CC..EExtended strand (participates in β ladder)trans-93.2120.7175.3-67.6-77.7000109.6V61 L62 K63 I65 V85 A156 R158V61-F87 CarbonylContact C-O 3.48Å; V61-F87 WeakPolarHBondContact CA-O 3.2Å; L62-F87 PolarHBondContact N-O 3.16Å; K63-F87 HydrophobicContact CB-CB 4.2Å; K63-F87 HydrophobicContact CB-CD2 3.87Å; K63-F87 HydrophobicContact CB-CG 4.45Å; K63-F87 HydrophobicContact CD-CD2 4.25Å; K63-F87 HydrophobicContact CD-CE2 4.48Å; K63-F87 HydrophobicContact CG-CD2 4.09Å; K63-F87 PolarHBondContact O-N 3.15Å; I65-F87 HydrophobicContact CD1-CE2 3.69Å; I65-F87 HydrophobicContact CD1-CZ 3.98Å; I65-F87 HydrophobicContact CG1-CE2 3.87Å; I65-F87 HydrophobicContact CG2-CE2 4.13Å; V85-F87 HydrophobicContact CG1-CE1 4.39Å; V85-F87 HydrophobicContact CG1-CE2 4.22Å; V85-F87 HydrophobicContact CG1-CZ 4.1Å; F87-A156 WeakPolarHBondContact CA-O 3.37Å; F87-A156 HydrophobicContact CD1-CB 4.05Å; F87-A156 HydrophobicContact CE1-CB 4.06Å; F87-R158 HydrophobicContact CB-CB 4.09Å; F87-R158 HydrophobicContact CB-CG 4.4Å; F87-R158 HydrophobicContact CD1-CB 3.78Å; F87-R158 HydrophobicContact CD1-CG 4.07Å; F87-R158 HydrophobicContact CG-CB 4.19Å; F87-R158 HydrophobicContact CG-CG 4.27Å
88L93.5Very high93.1Very high1 Ų134.9 Ų34.91%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-101.9149.4-173.9-70.890.3000112.3V59 Q60 A86 C90 F91 V104 P155 A156V59-L88 HydrophobicContact CG1-CB 4.45Å; V59-L88 HydrophobicContact CG1-CD2 3.64Å; Q60-L88 WeakPolarHBondContact O-CA 3.19Å; A86-L88 HydrophobicContact CB-CD1 4.38Å; A86-L88 WeakPolarHBondContact O-CD1 3.37Å; L88-C90 VanDerWaalsContact C-N 3.29Å; L88-F91 HydrophobicContact CB-CD2 4.19Å; L88-F91 HydrophobicContact CB-CE2 4.39Å; L88-F91 HydrophobicContact CD1-CE2 4.13Å; L88-V104 HydrophobicContact CD1-CG1 4.17Å; L88-V104 HydrophobicContact CD2-CB 4.4Å; L88-V104 HydrophobicContact CD2-CG1 3.3Å; L88-V104 HydrophobicContact CD2-CG2 4.21Å; L88-V104 HydrophobicContact CG-CG1 4.39Å; L88-P155 HydrophobicContact CD1-CB 3.38Å; L88-A156 PolarHBondContact N-O 3Å
89S92.6Very high93.1Very high26 Ų2639.7 Ų39.718%0.18220%0.197CC..THydrogen-bonded Turntrans-67.9-28.2176.362.20000113.5Q60 F91 H92Q60-S89 PolarHBondContact N-OG 3.02Å; Q60-S89 PolarHBondContact O-N 3.4Å; Q60-S89 PolarHBondContact O-OG 3.29Å; S89-F91 VanDerWaalsContact C-N 3.27Å; S89-F91 PolarHBondContact O-N 3.29Å; S89-H92 PolarHBondContact O-CE1 3.49Å; S89-H92 PolarHBondContact O-NE2 3.16Å
90C90.3Very high93.1Very high6 Ų639.9 Ų39.94%0.04120%0.197CC..THydrogen-bonded Turntrans-81.50.6-174.465.80000115L55 D56 V59 L88L55-C90 HydrophobicContact CD2-CB 3.78Å; D56-C90 HydrophobicContact CB-CB 4.38Å; D56-C90 WeakPolarHBondContact OD2-CA 3.5Å; V59-C90 HydrophobicContact CB-CB 4.42Å; V59-C90 HydrophobicContact CG1-CB 3.93Å; V59-C90 VanDerWaalsContact CG1-SG 3.51Å; V59-C90 HydrophobicContact CG2-CB 3.81Å; L88-C90 VanDerWaalsContact C-N 3.29Å
91F92.9Very high93.2Very high7 Ų736 Ų363%0.03118%0.184CC..  trans-107.3115.1174.8-60.7-29000108.6L88 S89 A97 H100 V104 P155 Y157L88-F91 HydrophobicContact CB-CD2 4.19Å; L88-F91 HydrophobicContact CB-CE2 4.39Å; L88-F91 HydrophobicContact CD1-CE2 4.13Å; S89-F91 VanDerWaalsContact C-N 3.27Å; S89-F91 PolarHBondContact O-N 3.29Å; F91-A97 HydrophobicContact CB-CB 4.26Å; F91-A97 HydrophobicContact CD1-CB 4.25Å; F91-A97 HydrophobicContact CD2-CB 3.92Å; F91-A97 HydrophobicContact CE2-CB 4.26Å; F91-A97 HydrophobicContact CG-CB 3.9Å; F91-H100 HydrophobicContact CE1-CB 3.92Å; F91-V104 HydrophobicContact CE1-CG2 3.77Å; F91-V104 HydrophobicContact CZ-CB 4.06Å; F91-V104 HydrophobicContact CZ-CG1 4.3Å; F91-V104 HydrophobicContact CZ-CG2 3.59Å; F91-P155 HydrophobicContact CE2-CB 4.19Å; F91-Y157 HydrophobicContact CB-CD2 4.03Å; F91-Y157 HydrophobicContact CB-CG 4.46Å; F91-Y157 WeakPolarHBondContact O-CD2 3.32Å; F91-Y157 WeakPolarHBondContact O-CE2 3.47Å
92H91.9Very high93.1Very high108 Ų10837.3 Ų37.350%0.519%0.189SC..  trans-107-13.8179.1-52.8-93.6000111.8D56 S89 E96 Y157D56-H92 IonicContact OD2-CE1 3.13Å; D56-H92 IonicContact OD2-NE2 3.27Å; D56-H92 PolarHBondContact OD2-NE2 2.85Å; S89-H92 PolarHBondContact O-CE1 3.49Å; S89-H92 PolarHBondContact O-NE2 3.16Å; H92-E96 WeakPolarHBondContact CA-OE2 3.3Å; H92-E96 WeakPolarHBondContact CB-OE2 3.32Å; H92-E96 IonicContact CD2-OE2 3.95Å; H92-E96 PolarHBondContact CD2-OE2 2.96Å; H92-E96 IonicContact CG-OE2 3.47Å; H92-E96 PolarHBondContact N-OE2 3.19Å; H92-Y157 WeakPolarHBondContact O-CE2 3.43Å; H92-Y157 VanDerWaalsContact O-CZ 3.3Å; H92-Y157 PolarHBondContact O-OH 2.89Å; H92-Y157 VanDerWaalsContact O-OH 3.06Å
93S93.3Very high92.9Very high29 Ų2941 Ų4120%0.20321%0.207CC..SBendtrans-146.5166175.866.30000112.8Q95 E96 A97S93-Q95 VanDerWaalsContact C-N 3.29Å; S93-Q95 PolarHBondContact O-N 2.95Å; S93-E96 PolarHBondContact N-OE2 3.34Å; S93-E96 PolarHBondContact O-N 2.84Å; S93-E96 WeakPolarHBondContact OG-CG 3.36Å; S93-E96 PolarHBondContact OG-N 3.07Å; S93-A97 PolarHBondContact O-N 2.96Å; S93-A97 VanDerWaalsContact O-N 3.08Å
94F93.8Very high92.7Very high4 Ų437.8 Ų37.82%0.01819%0.192CC..Hα-helixtrans-59.8-40171.8-67.1-68.2000111.8A97 A98 Y157 A159 I173 L177 A180 F187 F191F94-A97 PolarHBondContact O-N 3.49Å; F94-A98 PolarHBondContact O-N 3.32Å; F94-Y157 AromaticContact CD1-CD1 3.86Å; F94-Y157 HydrophobicContact CD1-CD1 3.86Å; F94-Y157 HydrophobicContact CD2-CD1 4.45Å; F94-Y157 HydrophobicContact CD2-CE1 4.44Å; F94-Y157 AromaticContact CE1-CD1 3.89Å; F94-Y157 HydrophobicContact CE1-CD1 3.89Å; F94-Y157 HydrophobicContact CE1-CE1 4.47Å; F94-Y157 HydrophobicContact CE2-CD1 4.47Å; F94-Y157 HydrophobicContact CE2-CE1 4.32Å; F94-Y157 HydrophobicContact CG-CD1 4.15Å; F94-Y157 HydrophobicContact CZ-CD1 4.19Å; F94-Y157 HydrophobicContact CZ-CE1 4.33Å; F94-A159 HydrophobicContact CE1-CB 3.99Å; F94-A159 HydrophobicContact CE2-CB 4.48Å; F94-A159 HydrophobicContact CZ-CB 3.6Å; F94-I173 HydrophobicContact CZ-CG2 4.49Å; F94-L177 HydrophobicContact CD1-CD1 4.13Å; F94-L177 HydrophobicContact CD2-CB 4.26Å; F94-L177 HydrophobicContact CE1-CD1 3.96Å; F94-L177 HydrophobicContact CE2-CB 3.74Å; F94-L177 HydrophobicContact CE2-CD1 4.4Å; F94-L177 HydrophobicContact CG-CD1 4.43Å; F94-L177 HydrophobicContact CZ-CB 3.96Å; F94-L177 HydrophobicContact CZ-CD1 4.11Å; F94-A180 HydrophobicContact CB-CB 3.62Å; F94-A180 HydrophobicContact CD2-CB 4.44Å; F94-A180 HydrophobicContact CG-CB 4.36Å; F94-F187 HydrophobicContact CB-CD1 4.14Å; F94-F187 HydrophobicContact CB-CD2 4.19Å; F94-F187 HydrophobicContact CB-CE1 3.93Å; F94-F187 HydrophobicContact CB-CE2 3.93Å; F94-F187 HydrophobicContact CB-CG 4.28Å; F94-F187 HydrophobicContact CB-CZ 3.81Å; F94-F187 HydrophobicContact CD1-CB 3.77Å; F94-F187 AromaticContact CD1-CD1 3.84Å; F94-F187 HydrophobicContact CD1-CD1 3.84Å; F94-F187 HydrophobicContact CD1-CD2 4.15Å; F94-F187 HydrophobicContact CD1-CE1 4.47Å; F94-F187 AromaticContact CD1-CG 3.66Å; F94-F187 HydrophobicContact CD1-CG 3.66Å; F94-F187 HydrophobicContact CE1-CB 4.04Å; F94-F187 HydrophobicContact CE1-CG 4.42Å; F94-F187 HydrophobicContact CG-CD1 4.46Å; F94-F187 HydrophobicContact CG-CD2 4.39Å; F94-F187 HydrophobicContact CG-CG 4.3Å; F94-F187 WeakPolarHBondContact O-CE1 3.44Å; F94-F187 VanDerWaalsContact O-CZ 3.28Å; F94-F187 WeakPolarHBondContact O-CZ 3.36Å; F94-F191 HydrophobicContact CE1-CE2 4.01Å; F94-F191 HydrophobicContact CE1-CZ 4.17Å; F94-F191 HydrophobicContact CZ-CE2 4.03Å; F94-F191 AromaticContact CZ-CZ 3.73Å; F94-F191 HydrophobicContact CZ-CZ 3.73Å
95Q91.5Very high92.5Very high96 Ų9637.9 Ų37.945%0.44919%0.192SC..Hα-helixtrans-64.9-41.8-179.5-64.685.9-20.900111.7S93 A98 K99 A180S93-Q95 VanDerWaalsContact C-N 3.29Å; S93-Q95 PolarHBondContact O-N 2.95Å; Q95-A98 PolarHBondContact O-N 2.73Å; Q95-K99 WeakPolarHBondContact O-CB 3.12Å; Q95-K99 PolarHBondContact O-N 2.75Å; Q95-A180 HydrophobicContact CG-CB 4.23Å
96E90.8Very high92.2Very high69 Ų6944.9 Ų44.932%0.32222%0.218SC..Hα-helixtrans-65.1-43.4174.9-77169.7-166.600112H92 S93 A98 K99 H100H92-E96 WeakPolarHBondContact CA-OE2 3.3Å; H92-E96 WeakPolarHBondContact CB-OE2 3.32Å; H92-E96 IonicContact CD2-OE2 3.95Å; H92-E96 PolarHBondContact CD2-OE2 2.96Å; H92-E96 IonicContact CG-OE2 3.47Å; H92-E96 PolarHBondContact N-OE2 3.19Å; S93-E96 PolarHBondContact N-OE2 3.34Å; S93-E96 PolarHBondContact O-N 2.84Å; S93-E96 WeakPolarHBondContact OG-CG 3.36Å; S93-E96 PolarHBondContact OG-N 3.07Å; E96-A98 VanDerWaalsContact C-N 3.33Å; E96-A98 PolarHBondContact O-N 3.24Å; E96-K99 PolarHBondContact O-N 3.03Å; E96-H100 WeakPolarHBondContact O-CB 3.32Å; E96-H100 PolarHBondContact O-CD2 2.88Å; E96-H100 PolarHBondContact O-N 2.85Å
97A91.3Very high91.9Very high6 Ų646.5 Ų46.55%0.0523%0.227CC..Hα-helixtrans-57.8-46.617500000111.2F91 S93 F94 K99 H101F91-A97 HydrophobicContact CB-CB 4.26Å; F91-A97 HydrophobicContact CD1-CB 4.25Å; F91-A97 HydrophobicContact CD2-CB 3.92Å; F91-A97 HydrophobicContact CE2-CB 4.26Å; F91-A97 HydrophobicContact CG-CB 3.9Å; S93-A97 PolarHBondContact O-N 2.96Å; S93-A97 VanDerWaalsContact O-N 3.08Å; F94-A97 PolarHBondContact O-N 3.49Å; A97-K99 PolarHBondContact O-N 2.83Å; A97-H101 WeakPolarHBondContact O-CA 3.43Å; A97-H101 VanDerWaalsContact O-CB 3.23Å; A97-H101 WeakPolarHBondContact O-CB 3.15Å; A97-H101 PolarHBondContact O-N 2.82Å
98A89.7Confident91.7Very high59 Ų5946.4 Ų46.449%0.48823%0.226SC..Hα-helixtrans-61.3-43.217600000112.8F94 Q95 E96 F187F94-A98 PolarHBondContact O-N 3.32Å; Q95-A98 PolarHBondContact O-N 2.73Å; E96-A98 VanDerWaalsContact C-N 3.33Å; E96-A98 PolarHBondContact O-N 3.24Å; A98-F187 HydrophobicContact CB-CE1 3.8Å; A98-F187 HydrophobicContact CB-CZ 3.82Å
99K89.8Confident91.8Very high157 Ų15751.2 Ų51.268%0.68324%0.244SC*.Hα-helixtrans-66.7-43.9-177.2-176.5-179174.2-166.10112.4Q95 E96 A97Q95-K99 WeakPolarHBondContact O-CB 3.12Å; Q95-K99 PolarHBondContact O-N 2.75Å; E96-K99 PolarHBondContact O-N 3.03Å; A97-K99 PolarHBondContact O-N 2.83Å
100H90.8Very high91.7Very high16 Ų1655.9 Ų55.97%0.07426%0.262CS..Hα-helixtrans-101.40.9-171.2-65.1-66.3000113.9L55 F91 E96 Q102 E103 V104L55-H100 HydrophobicContact CD2-CB 3.86Å; L55-H100 HydrophobicContact CG-CB 4.42Å; F91-H100 HydrophobicContact CE1-CB 3.92Å; E96-H100 WeakPolarHBondContact O-CB 3.32Å; E96-H100 PolarHBondContact O-CD2 2.88Å; E96-H100 PolarHBondContact O-N 2.85Å; H100-Q102 PolarHBondContact O-N 2.78Å; H100-E103 IonicContact CE1-OE2 3.73Å; H100-E103 IonicContact CG-OE2 3.82Å; H100-E103 IonicContact ND1-OE2 2.82Å; H100-E103 PolarHBondContact ND1-OE2 3.03Å; H100-E103 PolarHBondContact O-N 3.3Å; H100-E103 VanDerWaalsContact O-N 3.09Å; H100-V104 PolarHBondContact O-N 2.85Å
101H91.3Very high91.7Very high23 Ų2356.3 Ų56.311%0.10626%0.264CS..Hα-helixtrans-48.5-50.4-177.7-162.275.6000113.9A97 L105 N134 P155A97-H101 WeakPolarHBondContact O-CA 3.43Å; A97-H101 VanDerWaalsContact O-CB 3.23Å; A97-H101 WeakPolarHBondContact O-CB 3.15Å; A97-H101 PolarHBondContact O-N 2.82Å; H101-L105 WeakPolarHBondContact O-CG 3.41Å; H101-L105 PolarHBondContact O-N 3.48Å; H101-N134 PolarHBondContact NE2-O 3.14Å; H101-P155 PolarHBondContact CE1-O 2.98Å
102Q91.6Very high91.7Very high102 Ų10256 Ų5648%0.47726%0.263SS..Hα-helixtrans-69.9-34.1-177.6-69-166.7100112.8H100 L105 R106H100-Q102 PolarHBondContact O-N 2.78Å; Q102-L105 PolarHBondContact O-N 2.8Å; Q102-R106 WeakPolarHBondContact O-CG 3.14Å; Q102-R106 PolarHBondContact O-N 3.32Å; Q102-R106 VanDerWaalsContact O-N 3.09Å
103E90.8Very high91.6Very high78 Ų7857 Ų5736%0.36426%0.262SS..Hα-helixtrans-68-43.7179.2-63.5-177.5134.800110.3L55 H100 R106 L107L55-E103 HydrophobicContact CD1-CB 4.17Å; H100-E103 IonicContact CE1-OE2 3.73Å; H100-E103 IonicContact CG-OE2 3.82Å; H100-E103 IonicContact ND1-OE2 2.82Å; H100-E103 PolarHBondContact ND1-OE2 3.03Å; H100-E103 PolarHBondContact O-N 3.3Å; H100-E103 VanDerWaalsContact O-N 3.09Å; E103-R106 PolarHBondContact O-N 3.14Å; E103-L107 WeakPolarHBondContact O-CB 3.25Å; E103-L107 PolarHBondContact O-N 2.98Å
104V92.4Very high91.4Very high1 Ų161.8 Ų61.81%0.00628%0.281CS..Hα-helixtrans-60.3-45.8173.9166.20000111.6L55 L88 F91 H100 R106 L107 I108 P155L55-V104 HydrophobicContact CD1-CG2 4.27Å; L55-V104 HydrophobicContact CD2-CG2 4.15Å; L88-V104 HydrophobicContact CD1-CG1 4.17Å; L88-V104 HydrophobicContact CD2-CB 4.4Å; L88-V104 HydrophobicContact CD2-CG1 3.3Å; L88-V104 HydrophobicContact CD2-CG2 4.21Å; L88-V104 HydrophobicContact CG-CG1 4.39Å; F91-V104 HydrophobicContact CE1-CG2 3.77Å; F91-V104 HydrophobicContact CZ-CB 4.06Å; F91-V104 HydrophobicContact CZ-CG1 4.3Å; F91-V104 HydrophobicContact CZ-CG2 3.59Å; H100-V104 PolarHBondContact O-N 2.85Å; V104-R106 VanDerWaalsContact C-N 3.31Å; V104-R106 PolarHBondContact O-N 2.68Å; V104-L107 WeakPolarHBondContact O-CB 3.47Å; V104-L107 PolarHBondContact O-N 2.98Å; V104-L107 VanDerWaalsContact O-N 3.12Å; V104-I108 HydrophobicContact CG1-CD1 3.79Å; V104-I108 HydrophobicContact CG1-CG1 4.32Å; V104-I108 WeakPolarHBondContact O-CG1 3.41Å; V104-I108 PolarHBondContact O-N 3.16Å; V104-P155 HydrophobicContact CG1-CB 3.76Å; V104-P155 HydrophobicContact CG1-CG 4.09Å
105L93.3Very high91.3Very high2 Ų262.2 Ų62.21%0.0128%0.284CS..Hα-helixtrans-59.5-41.1176.6-75.4172.1000112.4H101 Q102 L107 R109 V128 N134 L136 P155H101-L105 WeakPolarHBondContact O-CG 3.41Å; H101-L105 PolarHBondContact O-N 3.48Å; Q102-L105 PolarHBondContact O-N 2.8Å; L105-L107 VanDerWaalsContact C-N 3.32Å; L105-R109 WeakPolarHBondContact O-CB 3.5Å; L105-R109 PolarHBondContact O-N 3.01Å; L105-V128 HydrophobicContact CB-CG2 4.31Å; L105-V128 HydrophobicContact CD1-CG1 4.03Å; L105-N134 HydrophobicContact CD1-CB 3.78Å; L105-L136 HydrophobicContact CD2-CB 3.9Å; L105-P155 HydrophobicContact CD2-CG 3.75Å; L105-P155 HydrophobicContact CG-CG 3.9Å
106R91.4Very high91.4Very high151 Ų15165.4 Ų65.457%0.5730%0.3SS*.Hα-helixtrans-65.8-37175.8-71.3175.8-168136.66.9111.8Q102 E103 V104 K110Q102-R106 WeakPolarHBondContact O-CG 3.14Å; Q102-R106 PolarHBondContact O-N 3.32Å; Q102-R106 VanDerWaalsContact O-N 3.09Å; E103-R106 PolarHBondContact O-N 3.14Å; V104-R106 VanDerWaalsContact C-N 3.31Å; V104-R106 PolarHBondContact O-N 2.68Å; R106-K110 WeakPolarHBondContact O-CB 3.42Å; R106-K110 PolarHBondContact O-N 3.24Å
107L91.4Very high91.5Very high33 Ų3367.1 Ų67.117%0.17331%0.311CS..Hα-helixtrans-64.9-54.8177.7-176.760.7000110.9F49 Q50 E103 V104 L105 R109 K110 T111F49-L107 HydrophobicContact CB-CD1 4.49Å; F49-L107 HydrophobicContact CB-CD2 3.6Å; F49-L107 HydrophobicContact CB-CG 3.89Å; F49-L107 HydrophobicContact CD1-CG 4.25Å; F49-L107 HydrophobicContact CG-CG 4.49Å; Q50-L107 WeakPolarHBondContact O-CD1 3.36Å; E103-L107 WeakPolarHBondContact O-CB 3.25Å; E103-L107 PolarHBondContact O-N 2.98Å; V104-L107 WeakPolarHBondContact O-CB 3.47Å; V104-L107 PolarHBondContact O-N 2.98Å; V104-L107 VanDerWaalsContact O-N 3.12Å; L105-L107 VanDerWaalsContact C-N 3.32Å; L107-R109 VanDerWaalsContact C-N 3.29Å; L107-R109 PolarHBondContact O-N 3.29Å; L107-K110 PolarHBondContact O-N 3.27Å; L107-K110 VanDerWaalsContact O-N 3.13Å; L107-T111 PolarHBondContact O-N 3.45Å; L107-T111 VanDerWaalsContact O-N 3.11Å; L107-T111 PolarHBondContact O-OG1 3.27Å; L107-T111 VanDerWaalsContact O-OG1 3.14Å
108I92.5Very high91.6Very high1 Ų166.9 Ų66.91%0.00531%0.309CS..Hα-helixtrans-55.9-46.7176.7-61.6170.5000110.1L44 F49 V104 K110 T111 M112 L136L44-I108 HydrophobicContact CD2-CG2 4.07Å; F49-I108 HydrophobicContact CD1-CG1 4.49Å; F49-I108 HydrophobicContact CE1-CB 4.38Å; F49-I108 HydrophobicContact CE1-CG1 4.14Å; F49-I108 HydrophobicContact CZ-CG1 4.41Å; V104-I108 HydrophobicContact CG1-CD1 3.79Å; V104-I108 HydrophobicContact CG1-CG1 4.32Å; V104-I108 WeakPolarHBondContact O-CG1 3.41Å; V104-I108 PolarHBondContact O-N 3.16Å; I108-K110 VanDerWaalsContact C-N 3.33Å; I108-K110 PolarHBondContact O-N 3.44Å; I108-T111 PolarHBondContact O-N 2.93Å; I108-M112 HydrophobicContact CG2-CE 4.36Å; I108-M112 HydrophobicContact CG2-CG 4.24Å; I108-M112 HydrophobicContact CG2-SD 4Å; I108-M112 WeakPolarHBondContact O-CB 3.26Å; I108-M112 WeakPolarHBondContact O-CG 3.17Å; I108-M112 PolarHBondContact O-N 2.8Å; I108-L136 HydrophobicContact CB-CD2 4.2Å; I108-L136 HydrophobicContact CG2-CD2 3.63Å
109R94.1Very high91.7Very high101 Ų10167.8 Ų67.838%0.38131%0.305SS..Hα-helixtrans-56.6-44.6178.3-177.5175.2-172.4-153.3-0112.8L105 L107 L126 L136L105-R109 WeakPolarHBondContact O-CB 3.5Å; L105-R109 PolarHBondContact O-N 3.01Å; L107-R109 VanDerWaalsContact C-N 3.29Å; L107-R109 PolarHBondContact O-N 3.29Å; R109-L126 HydrophobicContact CB-CD2 4.46Å; R109-L126 HydrophobicContact CG-CD2 3.66Å; R109-L126 HydrophobicContact CG-CG 3.88Å; R109-L126 VanDerWaalsContact CZ-O 3.32Å; R109-L126 PolarHBondContact NE-O 3.07Å; R109-L126 VanDerWaalsContact NE-O 3.09Å; R109-L126 PolarHBondContact NH2-O 2.8Å; R109-L126 WeakPolarHBondContact O-CD2 3.28Å; R109-L136 HydrophobicContact CB-CD1 3.77Å; R109-L136 HydrophobicContact CB-CD2 4.37Å; R109-L136 HydrophobicContact CG-CD1 3.98Å
110K91.2Very high91.9Very high125 Ų12564.3 Ų64.354%0.54331%0.306SS..Hα-helixtrans-65-44.8-179.1-177.8-175.6172.1-169.70110.8R106 L107 I108 W113R106-K110 WeakPolarHBondContact O-CB 3.42Å; R106-K110 PolarHBondContact O-N 3.24Å; L107-K110 PolarHBondContact O-N 3.27Å; L107-K110 VanDerWaalsContact O-N 3.13Å; I108-K110 VanDerWaalsContact C-N 3.33Å; I108-K110 PolarHBondContact O-N 3.44Å; K110-W113 PolarHBondContact O-N 3.45Å
111T90.9Very high92Very high15 Ų1563.9 Ų63.99%0.09230%0.304CS..Hα-helixtrans-70.3-35.3-177.7-46.70000111.9F43 E47 F49 L107 I108 W113 Q114 S115F43-T111 HydrophobicContact CE2-CG2 4.41Å; F43-T111 HydrophobicContact CZ-CG2 4.01Å; E47-T111 VanDerWaalsContact CD-CG2 3.49Å; E47-T111 HydrophobicContact CG-CG2 3.48Å; E47-T111 VanDerWaalsContact CG-CG2 3.48Å; E47-T111 VanDerWaalsContact OE1-CG2 3.26Å; E47-T111 WeakPolarHBondContact OE1-CG2 3.16Å; F49-T111 HydrophobicContact CD1-CG2 4.31Å; F49-T111 HydrophobicContact CE1-CG2 4.15Å; L107-T111 PolarHBondContact O-N 3.45Å; L107-T111 VanDerWaalsContact O-N 3.11Å; L107-T111 PolarHBondContact O-OG1 3.27Å; L107-T111 VanDerWaalsContact O-OG1 3.14Å; I108-T111 PolarHBondContact O-N 2.93Å; T111-W113 VanDerWaalsContact C-N 3.3Å; T111-W113 PolarHBondContact O-N 3.27Å; T111-Q114 WeakPolarHBondContact O-CB 3.5Å; T111-Q114 PolarHBondContact O-N 2.93Å; T111-S115 PolarHBondContact O-N 3.44Å
112M92.4Very high92.1Very high0 Ų063.8 Ų63.80%031%0.309CS..Hα-helixtrans-58.9-37.9175.9-78.8-173.2145.900113.5V40 F43 L44 I108 Q114 S115 L118 L123 L126 L136 L138 I153V40-M112 HydrophobicContact CG1-CE 3.98Å; F43-M112 HydrophobicContact CD1-CE 3.92Å; F43-M112 HydrophobicContact CD1-CG 4.2Å; F43-M112 HydrophobicContact CE1-CB 4.43Å; F43-M112 HydrophobicContact CE1-CE 3.9Å; F43-M112 HydrophobicContact CE1-CG 3.38Å; F43-M112 HydrophobicContact CZ-CG 3.89Å; L44-M112 HydrophobicContact CD2-CE 4.2Å; I108-M112 HydrophobicContact CG2-CE 4.36Å; I108-M112 HydrophobicContact CG2-CG 4.24Å; I108-M112 HydrophobicContact CG2-SD 4Å; I108-M112 WeakPolarHBondContact O-CB 3.26Å; I108-M112 WeakPolarHBondContact O-CG 3.17Å; I108-M112 PolarHBondContact O-N 2.8Å; M112-Q114 PolarHBondContact O-N 3.42Å; M112-S115 PolarHBondContact O-N 2.7Å; M112-L118 HydrophobicContact CB-CD1 4.1Å; M112-L118 HydrophobicContact CE-CD1 4.11Å; M112-L118 HydrophobicContact CG-CD1 3.85Å; M112-L123 HydrophobicContact CB-CD2 4.48Å; M112-L126 HydrophobicContact CB-CD2 3.96Å; M112-L126 HydrophobicContact SD-CD1 4.15Å; M112-L136 HydrophobicContact SD-CD2 3.63Å; M112-L138 HydrophobicContact CE-CD2 3.86Å; M112-L138 HydrophobicContact SD-CD2 3.71Å; M112-I153 HydrophobicContact CE-CD1 3.37Å; M112-I153 HydrophobicContact SD-CD1 4.22Å
113W88.6Confident92.3Very high129 Ų12959.3 Ų59.349%0.48929%0.288SS..THydrogen-bonded Turntrans-65-16175.3-92.5120.5000114.1K110 T111 L119 L126K110-W113 PolarHBondContact O-N 3.45Å; T111-W113 VanDerWaalsContact C-N 3.3Å; T111-W113 PolarHBondContact O-N 3.27Å; W113-L119 HydrophobicContact CE3-CD2 4.21Å; W113-L119 HydrophobicContact CZ3-CD2 4.13Å; W113-L126 HydrophobicContact CG-CD2 4.15Å; W113-L126 HydrophobicContact CZ2-CB 4.36Å
114Q90.1Very high92.4Very high130 Ų13060.5 Ų60.561%0.60729%0.294SS*.THydrogen-bonded Turntrans-97.9-8.8-179.1-59.3178.5-33.900112.3T111 M112 Q116T111-Q114 WeakPolarHBondContact O-CB 3.5Å; T111-Q114 PolarHBondContact O-N 2.93Å; M112-Q114 PolarHBondContact O-N 3.42Å; Q114-Q116 PolarHBondContact O-N 3Å
115S92.3Very high92.3Very high12 Ų1265 Ų658%0.08432%0.318CS..  trans-78.3118.2-177.4176.70000111.7T111 M112 L118 L119T111-S115 PolarHBondContact O-N 3.44Å; M112-S115 PolarHBondContact O-N 2.7Å; S115-L118 WeakPolarHBondContact OG-CG 3.29Å; S115-L118 PolarHBondContact OG-N 2.98Å; S115-L119 WeakPolarHBondContact O-CB 3.49Å; S115-L119 WeakPolarHBondContact O-CD1 3.22Å; S115-L119 WeakPolarHBondContact O-CG 3.27Å; S115-L119 PolarHBondContact O-N 2.92Å; S115-L119 VanDerWaalsContact O-N 3.11Å
116Q92.6Very high92.3Very high164 Ų16465.1 Ų65.177%0.76632%0.319SS*.Hα-helixtrans-65.1-38175.3-69.4-172.9-6.500112.3Q114 L119 A120Q114-Q116 PolarHBondContact O-N 3Å; Q116-L119 PolarHBondContact O-N 3.18Å; Q116-A120 WeakPolarHBondContact O-CB 3.42Å; Q116-A120 PolarHBondContact O-N 3.17Å
117D92.4Very high92.4Very high105 Ų10563.3 Ų63.356%0.56131%0.312SS*.Hα-helixtrans-65.7-41-179.1-62.8-39.3000112.2T39 A120 L121T39-D117 HydrophobicContact CG2-CB 4.04Å; D117-A120 PolarHBondContact O-N 2.93Å; D117-L121 PolarHBondContact O-N 3.18Å
118L93.5Very high92.5Very high0 Ų064.3 Ų64.30%032%0.319CS..Hα-helixtrans-69.6-39.1175.9-63.2179000111.5V40 F43 M112 S115 A120 L121 L123V40-L118 HydrophobicContact CB-CD2 4.48Å; V40-L118 HydrophobicContact CG2-CD2 3.87Å; F43-L118 HydrophobicContact CD1-CD1 3.79Å; F43-L118 HydrophobicContact CD2-CD1 4.27Å; F43-L118 HydrophobicContact CE1-CD1 4.07Å; F43-L118 HydrophobicContact CG-CD1 3.9Å; F43-L118 HydrophobicContact CG-CG 4.39Å; F43-L118 HydrophobicContact CZ-CD1 4.41Å; M112-L118 HydrophobicContact CB-CD1 4.1Å; M112-L118 HydrophobicContact CE-CD1 4.11Å; M112-L118 HydrophobicContact CG-CD1 3.85Å; S115-L118 WeakPolarHBondContact OG-CG 3.29Å; S115-L118 PolarHBondContact OG-N 2.98Å; L118-A120 VanDerWaalsContact C-N 3.29Å; L118-A120 PolarHBondContact O-N 3.23Å; L118-L121 WeakPolarHBondContact O-CB 3.4Å; L118-L121 PolarHBondContact O-N 2.62Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L118-L123 HydrophobicContact CB-CB 4.32Å; L118-L123 HydrophobicContact CB-CD2 4.12Å; L118-L123 VanDerWaalsContact O-CB 3.31Å; L118-L123 WeakPolarHBondContact O-CB 3.27Å; L118-L123 PolarHBondContact O-N 3.02Å
119L93.3Very high92.5Very high79 Ų7968.3 Ų68.341%0.41434%0.338SS..Hα-helixtrans-62.8-37.1174-70.2169.2000111.7W113 S115 Q116 L121 G122W113-L119 HydrophobicContact CE3-CD2 4.21Å; W113-L119 HydrophobicContact CZ3-CD2 4.13Å; S115-L119 WeakPolarHBondContact O-CB 3.49Å; S115-L119 WeakPolarHBondContact O-CD1 3.22Å; S115-L119 WeakPolarHBondContact O-CG 3.27Å; S115-L119 PolarHBondContact O-N 2.92Å; S115-L119 VanDerWaalsContact O-N 3.11Å; Q116-L119 PolarHBondContact O-N 3.18Å; L119-L121 PolarHBondContact O-N 2.9Å; L119-G122 PolarHBondContact O-N 3.25Å
120A93.1Very high92.1Very high84 Ų8472.1 Ų72.169%0.69436%0.36SS*.Hα-helixtrans-66.1-23.2174.500000113.1Q116 D117 L118 G122Q116-A120 WeakPolarHBondContact O-CB 3.42Å; Q116-A120 PolarHBondContact O-N 3.17Å; D117-A120 PolarHBondContact O-N 2.93Å; L118-A120 VanDerWaalsContact C-N 3.29Å; L118-A120 PolarHBondContact O-N 3.23Å; A120-G122 VanDerWaalsContact C-N 3.28Å
121L93.3Very high91.8Very high7 Ų769.4 Ų69.44%0.03735%0.346CS..THydrogen-bonded Turntrans-85.69.1170.1-70.8-179000113.6T39 D117 L118 L119 I140 Q141 R143T39-L121 HydrophobicContact CG2-CD1 3.66Å; D117-L121 PolarHBondContact O-N 3.18Å; L118-L121 WeakPolarHBondContact O-CB 3.4Å; L118-L121 PolarHBondContact O-N 2.62Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L119-L121 PolarHBondContact O-N 2.9Å; L121-I140 HydrophobicContact CB-CB 4.32Å; L121-I140 HydrophobicContact CB-CG2 4.32Å; L121-Q141 WeakPolarHBondContact O-CB 3.49Å; L121-Q141 PolarHBondContact O-N 2.82Å; L121-R143 HydrophobicContact CD2-CG 3.8Å
122G93.6Very high91.3Very high21 Ų2173.6 Ų73.622%0.21637%0.371CS..THydrogen-bonded Turntrans68.245.7-179.400000112.6L119 A120 E124L119-G122 PolarHBondContact O-N 3.25Å; A120-G122 VanDerWaalsContact C-N 3.28Å; G122-E124 PolarHBondContact O-N 3.35Å
123L94.4Very high91.1Very high8 Ų874.4 Ų74.44%0.04238%0.377CS..  trans-55.9118.6176.1176.468000111.6M112 L118 L138 T139 I140M112-L123 HydrophobicContact CB-CD2 4.48Å; L118-L123 HydrophobicContact CB-CB 4.32Å; L118-L123 HydrophobicContact CB-CD2 4.12Å; L118-L123 VanDerWaalsContact O-CB 3.31Å; L118-L123 WeakPolarHBondContact O-CB 3.27Å; L118-L123 PolarHBondContact O-N 3.02Å; L123-L138 HydrophobicContact CD1-CB 3.77Å; L123-L138 HydrophobicContact CD1-CD1 3.74Å; L123-L138 HydrophobicContact CD1-CG 4.25Å; L123-T139 WeakPolarHBondContact CA-O 3.38Å; L123-I140 HydrophobicContact CD1-CG2 4.31Å
124E92.9Very high91.2Very high103 Ų10369.8 Ų69.848%0.48136%0.362SS..EExtended strand (participates in β ladder)trans-136170.2-179.8-71177.6-168.200111.5G122 L126 T139G122-E124 PolarHBondContact O-N 3.35Å; E124-L126 PolarHBondContact O-N 2.92Å; E124-T139 PolarHBondContact N-O 3.35Å; E124-T139 PolarHBondContact O-N 3.32Å
125D90.8Very high91.5Very high94 Ų9463.6 Ų63.650%0.50333%0.333SS..EExtended strand (participates in β ladder)trans56.821.3170.3-83.4-13.6000117.1R127D125-R127 WeakPolarHBondContact O-CG 3.48Å; D125-R127 PolarHBondContact O-N 3.13Å; D125-R127 IonicContact OD1-NH1 3.99Å; D125-R127 IonicContact OD2-NH1 3.68Å
126L93.7Very high91.6Very high6 Ų663 Ų633%0.03133%0.329CS..EExtended strand (participates in β ladder)trans-63.7104-175.7-173.168.1000112.9R109 M112 W113 E124 L136 V137 L138R109-L126 HydrophobicContact CB-CD2 4.46Å; R109-L126 HydrophobicContact CG-CD2 3.66Å; R109-L126 HydrophobicContact CG-CG 3.88Å; R109-L126 VanDerWaalsContact CZ-O 3.32Å; R109-L126 PolarHBondContact NE-O 3.07Å; R109-L126 VanDerWaalsContact NE-O 3.09Å; R109-L126 PolarHBondContact NH2-O 2.8Å; R109-L126 WeakPolarHBondContact O-CD2 3.28Å; M112-L126 HydrophobicContact CB-CD2 3.96Å; M112-L126 HydrophobicContact SD-CD1 4.15Å; W113-L126 HydrophobicContact CG-CD2 4.15Å; W113-L126 HydrophobicContact CZ2-CB 4.36Å; E124-L126 PolarHBondContact O-N 2.92Å; L126-L136 HydrophobicContact CD1-CD1 3.69Å; L126-L136 HydrophobicContact CD1-CD2 4Å; L126-L136 HydrophobicContact CD1-CG 3.74Å; L126-L136 HydrophobicContact CG-CD1 4.23Å; L126-V137 CarbonylContact C-O 3.59Å; L126-V137 WeakPolarHBondContact CA-O 3.22Å; L126-L138 HydrophobicContact CD1-CB 3.62Å; L126-L138 HydrophobicContact CD1-CD2 4.04Å; L126-L138 HydrophobicContact CD1-CG 4.48Å
127R94.1Very high91.8Very high113 Ų11355.4 Ų55.443%0.42629%0.293SS..EExtended strand (participates in β ladder)trans-142.3156.6-175.767-173176.4-113.11.9113.1D125 V137D125-R127 WeakPolarHBondContact O-CG 3.48Å; D125-R127 PolarHBondContact O-N 3.13Å; D125-R127 IonicContact OD1-NH1 3.99Å; D125-R127 IonicContact OD2-NH1 3.68Å; R127-V137 HydrophobicContact CG-CB 4.33Å; R127-V137 PolarHBondContact N-O 3.13Å; R127-V137 PolarHBondContact O-N 3.11Å
128V93.4Very high92Very high54 Ų5450.4 Ų50.433%0.32727%0.266SS..EExtended strand (participates in β ladder)trans-92117.5170178.90000107.9L105 N134 L136L105-V128 HydrophobicContact CB-CG2 4.31Å; L105-V128 HydrophobicContact CD1-CG1 4.03Å; V128-N134 HydrophobicContact CG1-CB 4.25Å; V128-L136 HydrophobicContact CG2-CD1 4.19Å
129E92Very high92.2Very high85 Ų8551.1 Ų51.140%0.39727%0.271SS..EExtended strand (participates in β ladder)trans-92.7132.3176.6-171.3166.5-154.900110.3R131 N134 A135 V137E129-R131 PolarHBondContact O-N 2.69Å; E129-N134 WeakPolarHBondContact O-CA 3.44Å; E129-A135 PolarHBondContact N-O 2.91Å; E129-A135 PolarHBondContact O-N 3.11Å; E129-V137 HydrophobicContact CB-CG2 3.83Å; E129-V137 WeakPolarHBondContact OE2-CG2 3.27Å
130Q86.2Confident92.3Very high180 Ų18047.4 Ų47.484%0.84125%0.251SS*.  trans-77.1105.6176.1-68.4-178.14.900109.2N134Q130-N134 WeakPolarHBondContact CA-OD1 3.3Å
131R83.5Confident92.4Very high69 Ų6946.7 Ų46.726%0.2623%0.234SC..SBendtrans-146-179.4176.971.9-174.5128.9178.91.3108.7E81 E129 P133 N134 A135 T152E81-R131 IonicContact OE1-NH1 2.86Å; E129-R131 PolarHBondContact O-N 2.69Å; R131-P133 VanDerWaalsContact C-C 3.45Å; R131-P133 WeakPolarHBondContact CG-O 3.33Å; R131-P133 CarbonylContact O-C 2.93Å; R131-P133 VanDerWaalsContact O-CA 3.28Å; R131-P133 WeakPolarHBondContact O-CA 3.4Å; R131-N134 PolarHBondContact N-OD1 3.11Å; R131-N134 PolarHBondContact O-N 3.39Å; R131-N134 PolarHBondContact O-OD1 3.1Å; R131-A135 VanDerWaalsContact CZ-CB 3.42Å; R131-A135 VanDerWaalsContact NE-CB 3.27Å; R131-T152 VanDerWaalsContact CZ-CG2 3.47Å; R131-T152 PolarHBondContact NH1-OG1 2.91Å; R131-T152 PolarHBondContact NH2-OG1 3.3Å
132V81Confident92.4Very high102 Ų10246.5 Ų46.562%0.61823%0.233SC*.SBendtrans-106.1102.8-178.9-177.90000109.5N186V132-N186 WeakPolarHBondContact CG1-OD1 3.32Å
133P87.6Confident92.1Very high17 Ų1752.9 Ų52.911%0.1125%0.251CS..SBendcis-82164.4-14.835.9-35000112.5R131 V154 P189R131-P133 VanDerWaalsContact C-C 3.45Å; R131-P133 WeakPolarHBondContact CG-O 3.33Å; R131-P133 CarbonylContact O-C 2.93Å; R131-P133 VanDerWaalsContact O-CA 3.28Å; R131-P133 WeakPolarHBondContact O-CA 3.4Å; P133-V154 HydrophobicContact CG-CG1 3.85Å; P133-P189 HydrophobicContact CG-CG 3.65Å
134N92.4Very high91.7Very high33 Ų3355.8 Ų55.818%0.17628%0.282CS..  trans-50.3146.7-178.9-68.7-16.4000111.4H101 L105 V128 E129 Q130 R131H101-N134 PolarHBondContact NE2-O 3.14Å; L105-N134 HydrophobicContact CD1-CB 3.78Å; V128-N134 HydrophobicContact CG1-CB 4.25Å; E129-N134 WeakPolarHBondContact O-CA 3.44Å; Q130-N134 WeakPolarHBondContact CA-OD1 3.3Å; R131-N134 PolarHBondContact N-OD1 3.11Å; R131-N134 PolarHBondContact O-N 3.39Å; R131-N134 PolarHBondContact O-OD1 3.1Å
135A94.5Very high91.5Very high0 Ų054.7 Ų54.70%028%0.283CS..EExtended strand (participates in β ladder)trans-147.6159.4174.300000113.8E129 R131 T152 I153 V154E129-A135 PolarHBondContact N-O 2.91Å; E129-A135 PolarHBondContact O-N 3.11Å; R131-A135 VanDerWaalsContact CZ-CB 3.42Å; R131-A135 VanDerWaalsContact NE-CB 3.27Å; A135-T152 HydrophobicContact CB-CG2 4.43Å; A135-I153 WeakPolarHBondContact CB-O 3.42Å; A135-V154 HydrophobicContact CB-CB 4.15Å; A135-V154 HydrophobicContact CB-CG1 4.47Å; A135-V154 HydrophobicContact CB-CG2 3.5Å; A135-V154 VanDerWaalsContact CB-CG2 3.5Å
136L96.2Very high91.4Very high0 Ų053 Ų530%028%0.281CS..EExtended strand (participates in β ladder)trans-81.3128-180-170.163.4000108.5L105 I108 R109 M112 L126 V128 T152 I153L105-L136 HydrophobicContact CD2-CB 3.9Å; I108-L136 HydrophobicContact CB-CD2 4.2Å; I108-L136 HydrophobicContact CG2-CD2 3.63Å; R109-L136 HydrophobicContact CB-CD1 3.77Å; R109-L136 HydrophobicContact CB-CD2 4.37Å; R109-L136 HydrophobicContact CG-CD1 3.98Å; M112-L136 HydrophobicContact SD-CD2 3.63Å; L126-L136 HydrophobicContact CD1-CD1 3.69Å; L126-L136 HydrophobicContact CD1-CD2 4Å; L126-L136 HydrophobicContact CD1-CG 3.74Å; L126-L136 HydrophobicContact CG-CD1 4.23Å; V128-L136 HydrophobicContact CG2-CD1 4.19Å; L136-T152 CarbonylContact O-C 3.51Å; L136-T152 WeakPolarHBondContact O-CA 3.34Å; L136-I153 HydrophobicContact CB-CB 4.34Å; L136-I153 PolarHBondContact N-O 3.49Å; L136-I153 PolarHBondContact O-N 2.9Å
137V96.8Very high91.3Very high3 Ų355.5 Ų55.52%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-117.2135.3176.8-177.90000108.1L126 R127 E129 T150 V151L126-V137 CarbonylContact C-O 3.59Å; L126-V137 WeakPolarHBondContact CA-O 3.22Å; R127-V137 HydrophobicContact CG-CB 4.33Å; R127-V137 PolarHBondContact N-O 3.13Å; R127-V137 PolarHBondContact O-N 3.11Å; E129-V137 HydrophobicContact CB-CG2 3.83Å; E129-V137 WeakPolarHBondContact OE2-CG2 3.27Å; V137-T150 HydrophobicContact CG1-CG2 3.49Å; V137-T150 VanDerWaalsContact CG1-CG2 3.49Å; V137-V151 WeakPolarHBondContact CA-O 3.4Å
138L96.3Very high91.3Very high0 Ų054.1 Ų54.10%030%0.298CS..EExtended strand (participates in β ladder)trans-144.5158.6177.361.8106.1000110.3M112 L123 L126 I140 T150 V151 I153M112-L138 HydrophobicContact CE-CD2 3.86Å; M112-L138 HydrophobicContact SD-CD2 3.71Å; L123-L138 HydrophobicContact CD1-CB 3.77Å; L123-L138 HydrophobicContact CD1-CD1 3.74Å; L123-L138 HydrophobicContact CD1-CG 4.25Å; L126-L138 HydrophobicContact CD1-CB 3.62Å; L126-L138 HydrophobicContact CD1-CD2 4.04Å; L126-L138 HydrophobicContact CD1-CG 4.48Å; L138-I140 HydrophobicContact CD1-CG2 3.64Å; L138-T150 CarbonylContact O-C 3.51Å; L138-T150 WeakPolarHBondContact O-CA 3.49Å; L138-V151 HydrophobicContact CD1-CB 3.9Å; L138-V151 HydrophobicContact CD1-CG2 4.32Å; L138-V151 HydrophobicContact CG-CB 4Å; L138-V151 PolarHBondContact N-O 3.36Å; L138-V151 PolarHBondContact O-N 3.06Å; L138-I153 HydrophobicContact CD2-CD1 3.74Å
139T96.8Very high91.4Very high16 Ų1651.6 Ų51.610%0.09828%0.283CS..EExtended strand (participates in β ladder)trans-114.8136.1172.5-580000108.7L123 E124 P148 I149L123-T139 WeakPolarHBondContact CA-O 3.38Å; E124-T139 PolarHBondContact N-O 3.35Å; E124-T139 PolarHBondContact O-N 3.32Å; T139-P148 HydrophobicContact CG2-CB 3.76Å; T139-I149 WeakPolarHBondContact CA-O 3.35Å
140I95.9Very high91.6Very high0 Ų049.6 Ų49.60%028%0.277CS..EExtended strand (participates in β ladder)trans-130.2160.3172.253.6171.7000109.1A36 V40 L121 L123 L138 P148 I149 V151A36-I140 HydrophobicContact CB-CD1 4.01Å; V40-I140 HydrophobicContact CG2-CD1 3.77Å; L121-I140 HydrophobicContact CB-CB 4.32Å; L121-I140 HydrophobicContact CB-CG2 4.32Å; L123-I140 HydrophobicContact CD1-CG2 4.31Å; L138-I140 HydrophobicContact CD1-CG2 3.64Å; I140-P148 CarbonylContact O-C 3.6Å; I140-I149 PolarHBondContact N-O 3.42Å; I140-I149 PolarHBondContact O-N 3.03Å; I140-V151 HydrophobicContact CD1-CG2 3.83Å; I140-V151 HydrophobicContact CG1-CG2 3.96Å
141Q95.1Very high92.2Very high69 Ų6941 Ų4132%0.32224%0.237SC..EExtended strand (participates in β ladder)trans-101.8147.1177.6-61.2178.12.700110.9L121 E147L121-Q141 WeakPolarHBondContact O-CB 3.49Å; L121-Q141 PolarHBondContact O-N 2.82Å; Q141-E147 WeakPolarHBondContact CA-O 3.34Å
142T92.5Very high92.8Very high4 Ų437.7 Ų37.73%0.02522%0.224CC..  trans-71.2148169.157.40000111E32 V33 G144 T145 A146 E147 I149E32-T142 HydrophobicContact CG-CG2 4.28Å; E32-T142 WeakPolarHBondContact OE1-CB 3.38Å; E32-T142 PolarHBondContact OE1-OG1 2.96Å; E32-T142 VanDerWaalsContact OE1-OG1 3.14Å; V33-T142 HydrophobicContact CG2-CG2 4.11Å; T142-G144 PolarHBondContact O-N 3.24Å; T142-T145 PolarHBondContact OG1-OG1 3.08Å; T142-A146 VanDerWaalsContact O-CA 3.26Å; T142-A146 WeakPolarHBondContact O-CA 3.27Å; T142-A146 PolarHBondContact O-N 2.93Å; T142-A146 VanDerWaalsContact O-N 3.14Å; T142-A146 PolarHBondContact OG1-N 2.53Å; T142-E147 PolarHBondContact N-O 3.44Å; T142-E147 PolarHBondContact OG1-N 3.41Å; T142-I149 HydrophobicContact CG2-CG1 3.91Å
143R87.4Confident93.6Very high155 Ų15532.9 Ų32.959%0.58520%0.195SC*.THydrogen-bonded Turntrans-71.8-29.6-172.7-67.6-178.1-178-93.2-1.5114.3D35 T39 L121D35-R143 WeakPolarHBondContact OD2-CD 3.49Å; D35-R143 IonicContact OD2-NE 3.11Å; T39-R143 PolarHBondContact OG1-NH2 3.14Å; L121-R143 HydrophobicContact CD2-CG 3.8Å
144G86.6Confident94Very high68 Ų6832.8 Ų32.870%0.70119%0.194SC*.THydrogen-bonded Turntrans-93.1-53-176.200000112.6E32 T142E32-G144 WeakPolarHBondContact OE1-CA 3.47Å; E32-G144 PolarHBondContact OE1-N 3.41Å; T142-G144 PolarHBondContact O-N 3.24Å
145T88.2Confident94.2Very high81 Ų8131.3 Ų31.350%0.49719%0.186SC..THydrogen-bonded Turntrans-94.9-9-172.749.80000113.9E32 T142 E147E32-T145 VanDerWaalsContact CD-OG1 3.26Å; E32-T145 PolarHBondContact OE1-N 2.89Å; E32-T145 PolarHBondContact OE1-OG1 2.89Å; E32-T145 WeakPolarHBondContact OE2-CG2 3.35Å; E32-T145 PolarHBondContact OE2-OG1 3.2Å; T142-T145 PolarHBondContact OG1-OG1 3.08Å; T145-E147 PolarHBondContact O-N 2.93Å; T145-E147 VanDerWaalsContact O-N 3.16Å
146A89.7Confident94.2Very high57 Ų5731.5 Ų31.547%0.47119%0.188SC..  trans52.929.2-174.700000113.2T142T142-A146 VanDerWaalsContact O-CA 3.26Å; T142-A146 WeakPolarHBondContact O-CA 3.27Å; T142-A146 PolarHBondContact O-N 2.93Å; T142-A146 VanDerWaalsContact O-N 3.14Å; T142-A146 PolarHBondContact OG1-N 2.53Å
147E90.7Very high94.2Very high60 Ų6034 Ų3428%0.2820%0.198SC..  trans-76.7134.7176.9-74.4-164.1146.700110.3W29 R80 Q141 T142 T145W29-E147 PolarHBondContact NE1-OE2 3.05Å; R80-E147 IonicContact CZ-OE2 2.68Å; R80-E147 IonicContact NH1-OE1 3.39Å; R80-E147 IonicContact NH1-OE2 2.8Å; R80-E147 PolarHBondContact NH1-OE2 3Å; R80-E147 IonicContact NH2-OE1 3.3Å; R80-E147 PolarHBondContact NH2-OE1 3.27Å; R80-E147 IonicContact NH2-OE2 3.5Å; Q141-E147 WeakPolarHBondContact CA-O 3.34Å; T142-E147 PolarHBondContact N-O 3.44Å; T142-E147 PolarHBondContact OG1-N 3.41Å; T145-E147 PolarHBondContact O-N 2.93Å; T145-E147 VanDerWaalsContact O-N 3.16Å
148P94.6Very high94.1Very high83 Ų8337.9 Ų37.954%0.53921%0.212SC..EExtended strand (participates in β ladder)trans-73.4133.5177.529.1-33.7000111.5T139 I140T139-P148 HydrophobicContact CG2-CB 3.76Å; I140-P148 CarbonylContact O-C 3.6Å
149I95.6Very high94Very high1 Ų138.5 Ų38.51%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-126.6128.3176-56.8-63.9000108.9W29 V33 V82 T139 I140 T142W29-I149 HydrophobicContact CZ2-CD1 4.31Å; V33-I149 HydrophobicContact CG1-CD1 4.34Å; V33-I149 HydrophobicContact CG1-CG1 4.3Å; V33-I149 HydrophobicContact CG1-CG2 4.07Å; V33-I149 HydrophobicContact CG2-CD1 3.67Å; V33-I149 HydrophobicContact CG2-CG1 4.03Å; V82-I149 HydrophobicContact CG2-CG2 3.92Å; T139-I149 WeakPolarHBondContact CA-O 3.35Å; I140-I149 PolarHBondContact N-O 3.42Å; I140-I149 PolarHBondContact O-N 3.03Å; T142-I149 HydrophobicContact CG2-CG1 3.91Å
150T96.9Very high93.7Very high43 Ų4338.4 Ų38.426%0.26422%0.216SC..EExtended strand (participates in β ladder)trans-83129.4173.6-56.80000109.8R80 E81 V82 V137 L138R80-T150 PolarHBondContact O-N 3.37Å; E81-T150 CarbonylContact C-O 3.5Å; E81-T150 VanDerWaalsContact CA-O 3.25Å; E81-T150 WeakPolarHBondContact CA-O 3.26Å; E81-T150 HydrophobicContact CG-CG2 4.34Å; V82-T150 PolarHBondContact N-O 2.81Å; V137-T150 HydrophobicContact CG1-CG2 3.49Å; V137-T150 VanDerWaalsContact CG1-CG2 3.49Å; L138-T150 CarbonylContact O-C 3.51Å; L138-T150 WeakPolarHBondContact O-CA 3.49Å
151V97.3Very high93.1Very high0 Ų040.5 Ų40.50%024%0.238CC..EExtended strand (participates in β ladder)trans-114125.9173.2-175.60000109.1V37 V40 V82 L84 V137 L138 I140 I153V37-V151 HydrophobicContact CG2-CG2 4.2Å; V40-V151 HydrophobicContact CG1-CG1 4.47Å; V82-V151 CarbonylContact O-C 3.59Å; V82-V151 VanDerWaalsContact O-CA 3.32Å; V82-V151 WeakPolarHBondContact O-CA 3.44Å; L84-V151 HydrophobicContact CD1-CG1 3.76Å; L84-V151 HydrophobicContact CG-CG1 4.06Å; V137-V151 WeakPolarHBondContact CA-O 3.4Å; L138-V151 HydrophobicContact CD1-CB 3.9Å; L138-V151 HydrophobicContact CD1-CG2 4.32Å; L138-V151 HydrophobicContact CG-CB 4Å; L138-V151 PolarHBondContact N-O 3.36Å; L138-V151 PolarHBondContact O-N 3.06Å; I140-V151 HydrophobicContact CD1-CG2 3.83Å; I140-V151 HydrophobicContact CG1-CG2 3.96Å; V151-I153 HydrophobicContact CG1-CG1 4.24Å
152T97.2Very high92.4Very high0 Ų043.2 Ų43.20%026%0.261CS..EExtended strand (participates in β ladder)trans-101.4131.5174-89.10000108.5E81 V82 E83 L84 R131 A135 L136 V154E81-T152 PolarHBondContact OE1-OG1 3.42Å; V82-T152 PolarHBondContact O-N 3.1Å; E83-T152 HydrophobicContact CB-CG2 4.33Å; E83-T152 HydrophobicContact CG-CG2 4.07Å; L84-T152 PolarHBondContact N-O 3.25Å; R131-T152 VanDerWaalsContact CZ-CG2 3.47Å; R131-T152 PolarHBondContact NH1-OG1 2.91Å; R131-T152 PolarHBondContact NH2-OG1 3.3Å; A135-T152 HydrophobicContact CB-CG2 4.43Å; L136-T152 CarbonylContact O-C 3.51Å; L136-T152 WeakPolarHBondContact O-CA 3.34Å; T152-V154 HydrophobicContact CG2-CG2 4.13Å
153I97Very high91.6Very high0 Ų046.8 Ų46.80%029%0.287CS..EExtended strand (participates in β ladder)trans-123.9120.7175.9-58.3165.1000109.9V40 L44 L84 A86 M112 A135 L136 L138 V151V40-I153 HydrophobicContact CG1-CD1 4Å; L44-I153 HydrophobicContact CD1-CD1 4.07Å; L44-I153 HydrophobicContact CD1-CG2 4.4Å; L84-I153 HydrophobicContact CB-CG1 4.22Å; L84-I153 HydrophobicContact CD1-CG1 4.27Å; L84-I153 WeakPolarHBondContact O-CA 3.42Å; A86-I153 HydrophobicContact CB-CG2 4.21Å; M112-I153 HydrophobicContact CE-CD1 3.37Å; M112-I153 HydrophobicContact SD-CD1 4.22Å; A135-I153 WeakPolarHBondContact CB-O 3.42Å; L136-I153 HydrophobicContact CB-CB 4.34Å; L136-I153 PolarHBondContact N-O 3.49Å; L136-I153 PolarHBondContact O-N 2.9Å; L138-I153 HydrophobicContact CD2-CD1 3.74Å; V151-I153 HydrophobicContact CG1-CG1 4.24Å
154V96.6Very high90.9Very high16 Ų1646.2 Ų46.210%0.09729%0.294CS..EExtended strand (participates in β ladder)trans-111.3116.5175.8-169.60000109.4L84 V85 A86 P133 A135 T152 P189L84-V154 PolarHBondContact O-N 2.92Å; V85-V154 WeakPolarHBondContact CA-O 3.48Å; V85-V154 HydrophobicContact CG2-CB 4.38Å; A86-V154 PolarHBondContact N-O 2.73Å; P133-V154 HydrophobicContact CG-CG1 3.85Å; A135-V154 HydrophobicContact CB-CB 4.15Å; A135-V154 HydrophobicContact CB-CG1 4.47Å; A135-V154 HydrophobicContact CB-CG2 3.5Å; A135-V154 VanDerWaalsContact CB-CG2 3.5Å; T152-V154 HydrophobicContact CG2-CG2 4.13Å; V154-P189 HydrophobicContact CG1-CB 3.87Å; V154-P189 HydrophobicContact CG1-CG 3.52Å
155P95.6Very high90.2Very high2 Ų247 Ų471%0.01329%0.287CS..EExtended strand (participates in β ladder)trans-73.8141.9172.328.5-29.7000110.1A86 L88 F91 H101 V104 L105A86-P155 CarbonylContact O-C 3.57Å; A86-P155 WeakPolarHBondContact O-CA 3.48Å; L88-P155 HydrophobicContact CD1-CB 3.38Å; F91-P155 HydrophobicContact CE2-CB 4.19Å; H101-P155 PolarHBondContact CE1-O 2.98Å; V104-P155 HydrophobicContact CG1-CB 3.76Å; V104-P155 HydrophobicContact CG1-CG 4.09Å; L105-P155 HydrophobicContact CD2-CG 3.75Å; L105-P155 HydrophobicContact CG-CG 3.9Å
156A96.1Very high89.4Confident4 Ų445.7 Ų45.73%0.03328%0.277CS..EExtended strand (participates in β ladder)trans-145.2150.3-174.200000112.9V85 A86 F87 L88 P189V85-A156 HydrophobicContact CG1-CB 3.55Å; A86-A156 PolarHBondContact O-N 2.95Å; F87-A156 WeakPolarHBondContact CA-O 3.37Å; F87-A156 HydrophobicContact CD1-CB 4.05Å; F87-A156 HydrophobicContact CE1-CB 4.06Å; L88-A156 PolarHBondContact N-O 3Å; A156-P189 HydrophobicContact CB-CB 3.62Å
157Y95.1Very high89.2Confident52 Ų5244.8 Ų44.820%0.20427%0.267CS..  trans-72.5133.3167.3168.3-129.2000110.2F91 H92 F94 A159 S190F91-Y157 HydrophobicContact CB-CD2 4.03Å; F91-Y157 HydrophobicContact CB-CG 4.46Å; F91-Y157 WeakPolarHBondContact O-CD2 3.32Å; F91-Y157 WeakPolarHBondContact O-CE2 3.47Å; H92-Y157 WeakPolarHBondContact O-CE2 3.43Å; H92-Y157 VanDerWaalsContact O-CZ 3.3Å; H92-Y157 PolarHBondContact O-OH 2.89Å; H92-Y157 VanDerWaalsContact O-OH 3.06Å; F94-Y157 AromaticContact CD1-CD1 3.86Å; F94-Y157 HydrophobicContact CD1-CD1 3.86Å; F94-Y157 HydrophobicContact CD2-CD1 4.45Å; F94-Y157 HydrophobicContact CD2-CE1 4.44Å; F94-Y157 AromaticContact CE1-CD1 3.89Å; F94-Y157 HydrophobicContact CE1-CD1 3.89Å; F94-Y157 HydrophobicContact CE1-CE1 4.47Å; F94-Y157 HydrophobicContact CE2-CD1 4.47Å; F94-Y157 HydrophobicContact CE2-CE1 4.32Å; F94-Y157 HydrophobicContact CG-CD1 4.15Å; F94-Y157 HydrophobicContact CZ-CD1 4.19Å; F94-Y157 HydrophobicContact CZ-CE1 4.33Å; Y157-A159 VanDerWaalsContact C-N 3.27Å; Y157-A159 HydrophobicContact CD1-CB 3.79Å; Y157-A159 HydrophobicContact CE1-CB 3.69Å; Y157-A159 PolarHBondContact O-N 3.36Å; Y157-S190 WeakPolarHBondContact O-CA 3.47Å; Y157-S190 WeakPolarHBondContact O-CB 3.42Å; Y157-S190 PolarHBondContact O-OG 2.94Å
158R95.3Very high89.1Confident85 Ų8547 Ų4732%0.32128%0.278SS..  trans-8173.4176.2-165.4-179.5174.2176.9-1.8111.2F87 L160F87-R158 HydrophobicContact CB-CB 4.09Å; F87-R158 HydrophobicContact CB-CG 4.4Å; F87-R158 HydrophobicContact CD1-CB 3.78Å; F87-R158 HydrophobicContact CD1-CG 4.07Å; F87-R158 HydrophobicContact CG-CB 4.19Å; F87-R158 HydrophobicContact CG-CG 4.27Å; R158-L160 VanDerWaalsContact C-N 3.27Å; R158-L160 PolarHBondContact O-N 3.05Å
159A93.1Very high89.1Confident12 Ų1243.8 Ų43.810%0.09926%0.256CS..  trans-67.7-29177.600000112.9F94 Y157 I173F94-A159 HydrophobicContact CE1-CB 3.99Å; F94-A159 HydrophobicContact CE2-CB 4.48Å; F94-A159 HydrophobicContact CZ-CB 3.6Å; Y157-A159 VanDerWaalsContact C-N 3.27Å; Y157-A159 HydrophobicContact CD1-CB 3.79Å; Y157-A159 HydrophobicContact CE1-CB 3.69Å; Y157-A159 PolarHBondContact O-N 3.36Å; A159-I173 HydrophobicContact CB-CG2 4.01Å; A159-I173 WeakPolarHBondContact O-CD1 3.15Å
160L91.6Very high89Confident14 Ų1447 Ų477%0.07328%0.278CS..SBendtrans-94.4123.9-177-57.2177.3000111.2R158 P169 I173 F191 L194R158-L160 VanDerWaalsContact C-N 3.27Å; R158-L160 PolarHBondContact O-N 3.05Å; L160-P169 HydrophobicContact CD2-CB 3.9Å; L160-P169 HydrophobicContact CD2-CG 3.75Å; L160-I173 HydrophobicContact CD2-CD1 4.24Å; L160-F191 HydrophobicContact CD1-CD1 4.3Å; L160-F191 HydrophobicContact CD2-CD1 4.11Å; L160-F191 HydrophobicContact CD2-CE1 4.2Å; L160-F191 HydrophobicContact CG-CD1 4.34Å; L160-L194 HydrophobicContact CD1-CD1 3.79Å; L160-L194 HydrophobicContact CD1-CD2 4.3Å; L160-L194 HydrophobicContact CD1-CG 3.67Å; L160-L194 HydrophobicContact CD2-CD1 4.3Å
161G82.6Confident88.9Confident45 Ų4547.4 Ų47.446%0.46428%0.281SS..  trans-69.9171.5169.900000112.7S163G161-S163 PolarHBondContact O-N 2.85Å; G161-S163 VanDerWaalsContact O-N 3.15Å
162P81.4Confident88.8Confident125 Ų12553 Ų5381%0.81231%0.307SS*.SBendtrans-63.1115.5170.726.5-30.8000109.8
163S75.4Confident88.7Confident80 Ų8054.5 Ų54.556%0.55931%0.314SS*.  trans-141.7162.4178.471.20000111.6G161 S167G161-S163 PolarHBondContact O-N 2.85Å; G161-S163 VanDerWaalsContact O-N 3.15Å; S163-S167 VanDerWaalsContact CB-OG 3.25Å; S163-S167 WeakPolarHBondContact CB-OG 3.46Å; S163-S167 PolarHBondContact OG-OG 3.19Å
164L73.4Confident88.6Confident143 Ų14354.5 Ų54.575%0.74932%0.315SS*.  trans-59.1141.5174.8-84.6154.7000110.2N166 S167L164-N166 PolarHBondContact O-N 2.97Å; L164-S167 WeakPolarHBondContact O-CB 3.21Å; L164-S167 PolarHBondContact O-N 3.46Å; L164-S167 VanDerWaalsContact O-N 3.08Å; L164-S167 PolarHBondContact O-OG 2.9Å
165P70.1Confident88.5Confident84 Ų8454.5 Ų54.555%0.54532%0.315SS..THydrogen-bonded Turntrans-52.7130.1173.7-23.432.6000110.5S167P165-S167 VanDerWaalsContact C-N 3.34Å; P165-S167 PolarHBondContact O-N 3.31Å
166N72.7Confident88.4Confident54 Ų5457.4 Ų57.429%0.28934%0.335SS..THydrogen-bonded Turntrans72.89.3-179.1-51.4-47.6000117.5L164 N197 H201 Y280L164-N166 PolarHBondContact O-N 2.97Å; N166-N197 WeakPolarHBondContact OD1-CB 3.47Å; N166-H201 PolarHBondContact ND2-ND1 2.83Å; N166-Y280 HydrophobicContact CB-CE1 4.41Å; N166-Y280 PolarHBondContact OD1-OH 3.28Å
167S85.4Confident88.4Confident37 Ų3757.4 Ų57.426%0.25933%0.334SS..PPolyproline II helixtrans-65147.4168.255.60000111.6S163 L164 P165 P169S163-S167 VanDerWaalsContact CB-OG 3.25Å; S163-S167 WeakPolarHBondContact CB-OG 3.46Å; S163-S167 PolarHBondContact OG-OG 3.19Å; L164-S167 WeakPolarHBondContact O-CB 3.21Å; L164-S167 PolarHBondContact O-N 3.46Å; L164-S167 VanDerWaalsContact O-N 3.08Å; L164-S167 PolarHBondContact O-OG 2.9Å; P165-S167 VanDerWaalsContact C-N 3.34Å; P165-S167 PolarHBondContact O-N 3.31Å; S167-P169 WeakPolarHBondContact O-CD 3.4Å
168Q89.1Confident88.3Confident108 Ų10856.6 Ų56.651%0.50533%0.333SS..PPolyproline II helixtrans-73.7123.7172.4-75.4-176.3-12.500109.5K279Q168-K279 WeakPolarHBondContact CG-O 3.16Å; Q168-K279 PolarHBondContact NE2-O 3.47Å
169P92.8Very high88.2Confident14 Ų1459 Ų599%0.09135%0.346CS..PPolyproline II helixtrans-62.8152.1171.6-22.333.8000112.1L160 S167 I173 Y174 L194 Y280L160-P169 HydrophobicContact CD2-CB 3.9Å; L160-P169 HydrophobicContact CD2-CG 3.75Å; S167-P169 WeakPolarHBondContact O-CD 3.4Å; P169-I173 HydrophobicContact CB-CD1 4.11Å; P169-Y174 HydrophobicContact CB-CE2 4.06Å; P169-Y174 HydrophobicContact CG-CE2 4.26Å; P169-L194 HydrophobicContact CG-CD1 3.61Å; P169-Y280 VanDerWaalsContact CD-O 3.31Å; P169-Y280 WeakPolarHBondContact CD-O 3.12Å
170P93.7Very high88Confident70 Ų7059.3 Ų59.346%0.45535%0.348SS..PPolyproline II helixtrans-53.1134.3170.5-25.432.2000112.1E172 I173P170-E172 WeakPolarHBondContact CB-OE2 3.49Å; P170-E172 PolarHBondContact O-N 2.67Å; P170-E172 VanDerWaalsContact O-N 3.09Å; P170-I173 HydrophobicContact CB-CD1 4.5Å; P170-I173 HydrophobicContact CG-CD1 4.33Å; P170-I173 WeakPolarHBondContact O-CB 3.46Å; P170-I173 PolarHBondContact O-N 2.89Å; P170-I173 VanDerWaalsContact O-N 3.15Å
171P94.9Very high87.5Confident50 Ų5064 Ų6433%0.32538%0.38SS..Hα-helixtrans-55.2-28.7-179.4-27.135.4000114.2I173 Y174 V175 N285 I288P171-I173 PolarHBondContact O-N 3.49Å; P171-Y174 PolarHBondContact O-N 2.97Å; P171-Y174 VanDerWaalsContact O-N 3.09Å; P171-V175 WeakPolarHBondContact O-CG2 3.34Å; P171-V175 PolarHBondContact O-N 3.13Å; P171-N285 HydrophobicContact CB-CB 4.32Å; P171-I288 HydrophobicContact CB-CD1 4Å
172E94.9Very high87.3Confident118 Ų11863.4 Ų63.455%0.55138%0.375SS*.Hα-helixtrans-59.6-29.8-178.6-61.469.8-148.800112.3P170 V175 S176P170-E172 WeakPolarHBondContact CB-OE2 3.49Å; P170-E172 PolarHBondContact O-N 2.67Å; P170-E172 VanDerWaalsContact O-N 3.09Å; E172-V175 PolarHBondContact O-N 3.42Å; E172-S176 WeakPolarHBondContact O-CB 3.43Å; E172-S176 PolarHBondContact O-N 2.94Å; E172-S176 PolarHBondContact O-OG 3.2Å
173I95.1Very high87Confident31 Ų3159 Ų5916%0.15935%0.353CS..Hα-helixtrans-65.6-47.8176.4-62.5173.2000109.8F94 A159 L160 P169 P170 P171 S176 L177 F191F94-I173 HydrophobicContact CZ-CG2 4.49Å; A159-I173 HydrophobicContact CB-CG2 4.01Å; A159-I173 WeakPolarHBondContact O-CD1 3.15Å; L160-I173 HydrophobicContact CD2-CD1 4.24Å; P169-I173 HydrophobicContact CB-CD1 4.11Å; P170-I173 HydrophobicContact CB-CD1 4.5Å; P170-I173 HydrophobicContact CG-CD1 4.33Å; P170-I173 WeakPolarHBondContact O-CB 3.46Å; P170-I173 PolarHBondContact O-N 2.89Å; P170-I173 VanDerWaalsContact O-N 3.15Å; P171-I173 PolarHBondContact O-N 3.49Å; I173-S176 PolarHBondContact O-N 2.88Å; I173-L177 PolarHBondContact O-N 3.15Å; I173-F191 HydrophobicContact CG2-CE1 3.86Å; I173-F191 HydrophobicContact CG2-CZ 4.09Å
174Y94.9Very high86.9Confident1 Ų158.2 Ų58.20%0.00435%0.345CS..Hα-helixtrans-69.8-35.4177.4-61.5-66.8000112P169 P171 S176 L177 I178 F191 Y280 Y281 I288 A307 P309P169-Y174 HydrophobicContact CB-CE2 4.06Å; P169-Y174 HydrophobicContact CG-CE2 4.26Å; P171-Y174 PolarHBondContact O-N 2.97Å; P171-Y174 VanDerWaalsContact O-N 3.09Å; Y174-S176 VanDerWaalsContact C-N 3.27Å; Y174-S176 PolarHBondContact O-N 3.09Å; Y174-L177 HydrophobicContact CD1-CD2 4.29Å; Y174-L177 WeakPolarHBondContact O-CB 3.37Å; Y174-L177 PolarHBondContact O-N 3.23Å; Y174-I178 WeakPolarHBondContact O-CB 3.28Å; Y174-I178 WeakPolarHBondContact O-CD1 3.32Å; Y174-I178 WeakPolarHBondContact O-CG1 3.47Å; Y174-I178 PolarHBondContact O-N 3.34Å; Y174-F191 HydrophobicContact CD1-CE1 4.14Å; Y174-F191 HydrophobicContact CD1-CZ 4.25Å; Y174-F191 HydrophobicContact CE1-CD1 4.15Å; Y174-F191 AromaticContact CE1-CE1 3.72Å; Y174-F191 HydrophobicContact CE1-CE1 3.72Å; Y174-F191 HydrophobicContact CE1-CZ 4.22Å; Y174-Y280 VanDerWaalsContact CE2-O 3.24Å; Y174-Y280 WeakPolarHBondContact CE2-O 3.18Å; Y174-Y280 WeakPolarHBondContact OH-CB 3.45Å; Y174-Y280 PolarHBondContact OH-O 3.31Å; Y174-Y281 HydrophobicContact CE1-CD1 4.33Å; Y174-I288 HydrophobicContact CD2-CD1 4.15Å; Y174-I288 HydrophobicContact CG-CD1 4.33Å; Y174-A307 WeakPolarHBondContact CE1-O 3.35Å; Y174-P309 VanDerWaalsContact CD1-CD 3.48Å; Y174-P309 HydrophobicContact CD1-CG 3.78Å; Y174-P309 HydrophobicContact CE1-CG 4.43Å; Y174-P309 HydrophobicContact CG-CG 4.24Å
175V95.3Very high87.2Confident16 Ų1651.6 Ų51.610%0.09731%0.311CS..Hα-helixtrans-59.8-42.3172.2172.70000110.6P171 E172 I178 K179 I287 I288P171-V175 WeakPolarHBondContact O-CG2 3.34Å; P171-V175 PolarHBondContact O-N 3.13Å; E172-V175 PolarHBondContact O-N 3.42Å; V175-I178 PolarHBondContact O-N 3.48Å; V175-K179 HydrophobicContact CG1-CD 4.1Å; V175-K179 WeakPolarHBondContact O-CB 3.38Å; V175-K179 VanDerWaalsContact O-CG 3.29Å; V175-K179 WeakPolarHBondContact O-CG 3.18Å; V175-K179 PolarHBondContact O-N 3.19Å; V175-I287 HydrophobicContact CG1-CD1 3.71Å; V175-I287 HydrophobicContact CG2-CB 4.25Å; V175-I287 HydrophobicContact CG2-CD1 4.24Å; V175-I287 HydrophobicContact CG2-CG2 4.45Å; V175-I288 HydrophobicContact CG2-CG1 4.48Å
176S94.4Very high87.9Confident62 Ų6250.5 Ų50.543%0.43430%0.301SS..Hα-helixtrans-67.2-39.5176.9-57.90000112.1E172 I173 Y174 K179 A180E172-S176 WeakPolarHBondContact O-CB 3.43Å; E172-S176 PolarHBondContact O-N 2.94Å; E172-S176 PolarHBondContact O-OG 3.2Å; I173-S176 PolarHBondContact O-N 2.88Å; Y174-S176 VanDerWaalsContact C-N 3.27Å; Y174-S176 PolarHBondContact O-N 3.09Å; S176-K179 PolarHBondContact O-N 2.84Å; S176-A180 WeakPolarHBondContact O-CB 3.48Å; S176-A180 PolarHBondContact O-N 3.49Å
177L94.7Very high88.9Confident4 Ų448.6 Ų48.62%0.02129%0.29CS..Hα-helixtrans-58-50.7172.517268000111.6F94 I173 Y174 K179 A180 F187 F191 D308 T310F94-L177 HydrophobicContact CD1-CD1 4.13Å; F94-L177 HydrophobicContact CD2-CB 4.26Å; F94-L177 HydrophobicContact CE1-CD1 3.96Å; F94-L177 HydrophobicContact CE2-CB 3.74Å; F94-L177 HydrophobicContact CE2-CD1 4.4Å; F94-L177 HydrophobicContact CG-CD1 4.43Å; F94-L177 HydrophobicContact CZ-CB 3.96Å; F94-L177 HydrophobicContact CZ-CD1 4.11Å; I173-L177 PolarHBondContact O-N 3.15Å; Y174-L177 HydrophobicContact CD1-CD2 4.29Å; Y174-L177 WeakPolarHBondContact O-CB 3.37Å; Y174-L177 PolarHBondContact O-N 3.23Å; L177-K179 VanDerWaalsContact C-N 3.33Å; L177-K179 PolarHBondContact O-N 3.45Å; L177-A180 WeakPolarHBondContact O-CB 3.39Å; L177-A180 PolarHBondContact O-N 3.27Å; L177-A180 VanDerWaalsContact O-N 3.12Å; L177-F187 HydrophobicContact CD1-CB 3.58Å; L177-F187 HydrophobicContact CD1-CD2 3.61Å; L177-F187 HydrophobicContact CD1-CG 3.99Å; L177-F191 HydrophobicContact CB-CZ 4.42Å; L177-F191 HydrophobicContact CD1-CE2 4.02Å; L177-F191 HydrophobicContact CD2-CE2 3.59Å; L177-F191 HydrophobicContact CD2-CZ 3.79Å; L177-F191 HydrophobicContact CG-CE2 4.29Å; L177-F191 HydrophobicContact CG-CZ 4.48Å; L177-D308 WeakPolarHBondContact CD2-OD1 3.41Å; L177-T310 HydrophobicContact CD2-CG2 3.89Å; L177-T310 HydrophobicContact CG-CG2 4Å
178I93.3Very high89.2Confident35 Ų3547.2 Ų47.218%0.17928%0.281CS..Hα-helixtrans-62.4-43.1-178.6-66.7161.4000110.2Y174 V175 A180 C181 I287 I288 C291 T310Y174-I178 WeakPolarHBondContact O-CB 3.28Å; Y174-I178 WeakPolarHBondContact O-CD1 3.32Å; Y174-I178 WeakPolarHBondContact O-CG1 3.47Å; Y174-I178 PolarHBondContact O-N 3.34Å; V175-I178 PolarHBondContact O-N 3.48Å; I178-A180 VanDerWaalsContact C-N 3.27Å; I178-A180 PolarHBondContact O-N 3.07Å; I178-C181 PolarHBondContact O-N 3.03Å; I178-I287 HydrophobicContact CB-CG2 4.4Å; I178-I287 HydrophobicContact CD1-CG2 4.06Å; I178-I287 HydrophobicContact CG2-CG2 4.05Å; I178-I288 HydrophobicContact CD1-CG1 4.18Å; I178-C291 HydrophobicContact CD1-CB 3.62Å; I178-C291 HydrophobicContact CG1-CB 4.09Å; I178-C291 HydrophobicContact CG2-CB 4.4Å; I178-T310 HydrophobicContact CG1-CG2 3.88Å
179K92.5Very high89.4Confident137 Ų13742.7 Ų42.760%0.59626%0.261SS*.Hα-helixtrans-67.9-22.6176.3-73.7177.8-179.1-179.60113.8V175 S176 L177 C181V175-K179 HydrophobicContact CG1-CD 4.1Å; V175-K179 WeakPolarHBondContact O-CB 3.38Å; V175-K179 VanDerWaalsContact O-CG 3.29Å; V175-K179 WeakPolarHBondContact O-CG 3.18Å; V175-K179 PolarHBondContact O-N 3.19Å; S176-K179 PolarHBondContact O-N 2.84Å; L177-K179 VanDerWaalsContact C-N 3.33Å; L177-K179 PolarHBondContact O-N 3.45Å; K179-C181 PolarHBondContact O-N 3.01Å; K179-C181 PolarHBondContact O-SG 3.3Å
180A90.3Very high89.6Confident17 Ų1742.1 Ų42.114%0.1426%0.257CS..THydrogen-bonded Turntrans-69.2-15.3175.800000112.7F94 Q95 S176 L177 I178 G182 F187F94-A180 HydrophobicContact CB-CB 3.62Å; F94-A180 HydrophobicContact CD2-CB 4.44Å; F94-A180 HydrophobicContact CG-CB 4.36Å; Q95-A180 HydrophobicContact CG-CB 4.23Å; S176-A180 WeakPolarHBondContact O-CB 3.48Å; S176-A180 PolarHBondContact O-N 3.49Å; L177-A180 WeakPolarHBondContact O-CB 3.39Å; L177-A180 PolarHBondContact O-N 3.27Å; L177-A180 VanDerWaalsContact O-N 3.12Å; I178-A180 VanDerWaalsContact C-N 3.27Å; I178-A180 PolarHBondContact O-N 3.07Å; A180-G182 PolarHBondContact O-N 3.34Å; A180-F187 HydrophobicContact CB-CE2 4Å
181C80.7Confident89.7Confident112 Ų11238.8 Ų38.876%0.75724%0.236SC*.THydrogen-bonded Turntrans49.136.1174.9-600000113.5I178 K179I178-C181 PolarHBondContact O-N 3.03Å; K179-C181 PolarHBondContact O-N 3.01Å; K179-C181 PolarHBondContact O-SG 3.3Å
182G77.4Confident89.6Confident33 Ų3336.8 Ų36.834%0.3422%0.223SC..PPolyproline II helixtrans-70.5157.8173.800000111.8A180A180-G182 PolarHBondContact O-N 3.34Å
183G76.2Confident89.6Confident34 Ų3432.5 Ų32.535%0.35120%0.203SC..PPolyproline II helixtrans-57148.1168.300000111.9G185 N186G183-G185 PolarHBondContact O-N 3.18Å; G183-N186 PolarHBondContact N-ND2 3.04Å; G183-N186 WeakPolarHBondContact O-CB 3.46Å; G183-N186 PolarHBondContact O-N 3.31Å; G183-N186 VanDerWaalsContact O-N 3.13Å
184P74.1Confident89.6Confident62 Ų6231.4 Ų31.440%0.40320%0.197SC..THydrogen-bonded Turntrans-52.5128.5-179.8-25.133.3000111.8N186P184-N186 VanDerWaalsContact C-N 3.29Å; P184-N186 PolarHBondContact O-N 3.4Å
185G78.4Confident89.7Confident4 Ų432.7 Ų32.74%0.04120%0.203CC..THydrogen-bonded Turntrans84-11.4176.600000115.9G183 F187 S188 H311G183-G185 PolarHBondContact O-N 3.18Å; G185-F187 PolarHBondContact O-N 3.35Å; G185-S188 VanDerWaalsContact CA-OG 3.3Å; G185-S188 WeakPolarHBondContact CA-OG 3.44Å; G185-S188 WeakPolarHBondContact O-CB 3.5Å; G185-S188 PolarHBondContact O-N 3.12Å; G185-S188 PolarHBondContact O-OG 2.88Å; G185-H311 WeakPolarHBondContact CA-ND1 3.37Å; G185-H311 PolarHBondContact N-ND1 3.46Å
186N85.9Confident89.6Confident61 Ų6134 Ų3433%0.32621%0.206SC..THydrogen-bonded Turntrans-60.4-31.2-178.4-82-16.8000113.4V132 G183 P184V132-N186 WeakPolarHBondContact CG1-OD1 3.32Å; G183-N186 PolarHBondContact N-ND2 3.04Å; G183-N186 WeakPolarHBondContact O-CB 3.46Å; G183-N186 PolarHBondContact O-N 3.31Å; G183-N186 VanDerWaalsContact O-N 3.13Å; P184-N186 VanDerWaalsContact C-N 3.29Å; P184-N186 PolarHBondContact O-N 3.4Å
187F92.1Very high89.6Confident14 Ų1431.6 Ų31.66%0.06119%0.189CC..THydrogen-bonded Turntrans-105.94.2-178.3-58.3-51.9000113.3F94 A98 L177 A180 G185 S190F94-F187 HydrophobicContact CB-CD1 4.14Å; F94-F187 HydrophobicContact CB-CD2 4.19Å; F94-F187 HydrophobicContact CB-CE1 3.93Å; F94-F187 HydrophobicContact CB-CE2 3.93Å; F94-F187 HydrophobicContact CB-CG 4.28Å; F94-F187 HydrophobicContact CB-CZ 3.81Å; F94-F187 HydrophobicContact CD1-CB 3.77Å; F94-F187 AromaticContact CD1-CD1 3.84Å; F94-F187 HydrophobicContact CD1-CD1 3.84Å; F94-F187 HydrophobicContact CD1-CD2 4.15Å; F94-F187 HydrophobicContact CD1-CE1 4.47Å; F94-F187 AromaticContact CD1-CG 3.66Å; F94-F187 HydrophobicContact CD1-CG 3.66Å; F94-F187 HydrophobicContact CE1-CB 4.04Å; F94-F187 HydrophobicContact CE1-CG 4.42Å; F94-F187 HydrophobicContact CG-CD1 4.46Å; F94-F187 HydrophobicContact CG-CD2 4.39Å; F94-F187 HydrophobicContact CG-CG 4.3Å; F94-F187 WeakPolarHBondContact O-CE1 3.44Å; F94-F187 VanDerWaalsContact O-CZ 3.28Å; F94-F187 WeakPolarHBondContact O-CZ 3.36Å; A98-F187 HydrophobicContact CB-CE1 3.8Å; A98-F187 HydrophobicContact CB-CZ 3.82Å; L177-F187 HydrophobicContact CD1-CB 3.58Å; L177-F187 HydrophobicContact CD1-CD2 3.61Å; L177-F187 HydrophobicContact CD1-CG 3.99Å; A180-F187 HydrophobicContact CB-CE2 4Å; G185-F187 PolarHBondContact O-N 3.35Å; F187-S190 VanDerWaalsContact O-CB 3.27Å; F187-S190 WeakPolarHBondContact O-CB 3.42Å; F187-S190 PolarHBondContact O-N 3.12Å
188S91.8Very high89.7Confident9 Ų931.7 Ų31.76%0.06319%0.189CC..G310 helixtrans-55-32.1175.8-59.30000113.9G185 S190 F191 S192 D308G185-S188 VanDerWaalsContact CA-OG 3.3Å; G185-S188 WeakPolarHBondContact CA-OG 3.44Å; G185-S188 WeakPolarHBondContact O-CB 3.5Å; G185-S188 PolarHBondContact O-N 3.12Å; G185-S188 PolarHBondContact O-OG 2.88Å; S188-S190 PolarHBondContact O-N 3.18Å; S188-S190 VanDerWaalsContact O-N 3.17Å; S188-F191 CarbonylContact O-C 3.57Å; S188-F191 WeakPolarHBondContact O-CA 3.49Å; S188-F191 PolarHBondContact O-N 3.31Å; S188-S192 PolarHBondContact O-N 2.87Å; S188-S192 PolarHBondContact O-OG 3.07Å; S188-D308 PolarHBondContact OG-OD2 3.48Å
189P94.9Very high89.8Confident12 Ų1230 Ų308%0.07818%0.18CC..G310 helixtrans-54.5-31.4171.4-30.839.4000114.9V85 P133 V154 A156 F191 S192V85-P189 HydrophobicContact CG1-CB 4.21Å; V85-P189 HydrophobicContact CG2-CB 4.44Å; P133-P189 HydrophobicContact CG-CG 3.65Å; V154-P189 HydrophobicContact CG1-CB 3.87Å; V154-P189 HydrophobicContact CG1-CG 3.52Å; A156-P189 HydrophobicContact CB-CB 3.62Å; P189-F191 PolarHBondContact O-N 2.86Å; P189-S192 VanDerWaalsContact CA-OG 3.27Å; P189-S192 WeakPolarHBondContact CA-OG 3.34Å; P189-S192 PolarHBondContact O-N 2.72Å; P189-S192 PolarHBondContact O-OG 2.63Å
190S95.7Very high89.9Confident3 Ų328.3 Ų28.32%0.02117%0.173CC..G310 helixtrans-65.6-21.3175.6-67.90000113.3Y157 F187 S188Y157-S190 WeakPolarHBondContact O-CA 3.47Å; Y157-S190 WeakPolarHBondContact O-CB 3.42Å; Y157-S190 PolarHBondContact O-OG 2.94Å; F187-S190 VanDerWaalsContact O-CB 3.27Å; F187-S190 WeakPolarHBondContact O-CB 3.42Å; F187-S190 PolarHBondContact O-N 3.12Å; S188-S190 PolarHBondContact O-N 3.18Å; S188-S190 VanDerWaalsContact O-N 3.17Å
191F95.5Very high90.1Very high0 Ų032.2 Ų32.20%019%0.188CC..G310 helixtrans-111.19.6-179.3-56.1-79.5000113.1F94 L160 I173 Y174 L177 S188 P189 E193 L194 Q195 A307F94-F191 HydrophobicContact CE1-CE2 4.01Å; F94-F191 HydrophobicContact CE1-CZ 4.17Å; F94-F191 HydrophobicContact CZ-CE2 4.03Å; F94-F191 AromaticContact CZ-CZ 3.73Å; F94-F191 HydrophobicContact CZ-CZ 3.73Å; L160-F191 HydrophobicContact CD1-CD1 4.3Å; L160-F191 HydrophobicContact CD2-CD1 4.11Å; L160-F191 HydrophobicContact CD2-CE1 4.2Å; L160-F191 HydrophobicContact CG-CD1 4.34Å; I173-F191 HydrophobicContact CG2-CE1 3.86Å; I173-F191 HydrophobicContact CG2-CZ 4.09Å; Y174-F191 HydrophobicContact CD1-CE1 4.14Å; Y174-F191 HydrophobicContact CD1-CZ 4.25Å; Y174-F191 HydrophobicContact CE1-CD1 4.15Å; Y174-F191 AromaticContact CE1-CE1 3.72Å; Y174-F191 HydrophobicContact CE1-CE1 3.72Å; Y174-F191 HydrophobicContact CE1-CZ 4.22Å; L177-F191 HydrophobicContact CB-CZ 4.42Å; L177-F191 HydrophobicContact CD1-CE2 4.02Å; L177-F191 HydrophobicContact CD2-CE2 3.59Å; L177-F191 HydrophobicContact CD2-CZ 3.79Å; L177-F191 HydrophobicContact CG-CE2 4.29Å; L177-F191 HydrophobicContact CG-CZ 4.48Å; S188-F191 CarbonylContact O-C 3.57Å; S188-F191 WeakPolarHBondContact O-CA 3.49Å; S188-F191 PolarHBondContact O-N 3.31Å; P189-F191 PolarHBondContact O-N 2.86Å; F191-E193 PolarHBondContact O-N 2.72Å; F191-L194 HydrophobicContact CD1-CD1 4.18Å; F191-L194 WeakPolarHBondContact O-CA 3.28Å; F191-L194 WeakPolarHBondContact O-CB 3.38Å; F191-L194 PolarHBondContact O-N 3.26Å; F191-Q195 PolarHBondContact O-N 2.91Å; F191-Q195 VanDerWaalsContact O-N 3.12Å; F191-A307 HydrophobicContact CB-CB 4.14Å
192S94.6Very high90.8Very high8 Ų828.7 Ų28.76%0.05616%0.159CC..Hα-helixtrans-64.1-19.7-173.7-65.50000115S188 P189 L194 Q195 R196S188-S192 PolarHBondContact O-N 2.87Å; S188-S192 PolarHBondContact O-OG 3.07Å; P189-S192 VanDerWaalsContact CA-OG 3.27Å; P189-S192 WeakPolarHBondContact CA-OG 3.34Å; P189-S192 PolarHBondContact O-N 2.72Å; P189-S192 PolarHBondContact O-OG 2.63Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-Q195 PolarHBondContact OG-OE1 3.36Å; S192-Q195 VanDerWaalsContact OG-OE1 3.11Å; S192-R196 WeakPolarHBondContact O-CB 3.25Å; S192-R196 PolarHBondContact O-N 3.4Å
193E94.3Very high91.7Very high28 Ų2828.2 Ų28.213%0.13115%0.15CC..Hα-helixtrans-63.8-41.4169-63.4-157.394.500112.1K63 I65 F191 R196 N197K63-E193 VanDerWaalsContact CE-OE1 3.25Å; K63-E193 WeakPolarHBondContact CE-OE1 3.37Å; K63-E193 IonicContact NZ-OE1 3.37Å; K63-E193 PolarHBondContact NZ-OE1 2.92Å; K63-E193 IonicContact NZ-OE2 3.38Å; K63-E193 PolarHBondContact NZ-OE2 3.19Å; I65-E193 HydrophobicContact CD1-CG 3.57Å; I65-E193 HydrophobicContact CG2-CG 4.2Å; F191-E193 PolarHBondContact O-N 2.72Å; E193-R196 IonicContact OE1-NH2 2.7Å; E193-N197 WeakPolarHBondContact O-CB 3.15Å; E193-N197 PolarHBondContact O-N 2.86Å; E193-N197 PolarHBondContact O-ND2 3.19Å; E193-N197 VanDerWaalsContact O-ND2 3.16Å; E193-N197 PolarHBondContact O-OD1 3.21Å
194L95.3Very high92.7Very high7 Ų732 Ų324%0.03717%0.166CC..Hα-helixtrans-71.4-46178.7-58.2179.2000110.6L160 P169 F191 S192 R196 N197 F198 Y280 A307L160-L194 HydrophobicContact CD1-CD1 3.79Å; L160-L194 HydrophobicContact CD1-CD2 4.3Å; L160-L194 HydrophobicContact CD1-CG 3.67Å; L160-L194 HydrophobicContact CD2-CD1 4.3Å; P169-L194 HydrophobicContact CG-CD1 3.61Å; F191-L194 HydrophobicContact CD1-CD1 4.18Å; F191-L194 WeakPolarHBondContact O-CA 3.28Å; F191-L194 WeakPolarHBondContact O-CB 3.38Å; F191-L194 PolarHBondContact O-N 3.26Å; S192-L194 VanDerWaalsContact C-N 3.34Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 3.49Å; L194-N197 PolarHBondContact O-N 2.98Å; L194-N197 VanDerWaalsContact O-N 3.15Å; L194-F198 WeakPolarHBondContact O-CB 3.29Å; L194-F198 PolarHBondContact O-N 3.24Å; L194-Y280 HydrophobicContact CB-CD2 3.78Å; L194-Y280 HydrophobicContact CB-CE2 3.7Å; L194-Y280 HydrophobicContact CB-CG 4.26Å; L194-Y280 HydrophobicContact CD1-CD2 4.35Å; L194-Y280 HydrophobicContact CD1-CG 4.11Å; L194-Y280 HydrophobicContact CD2-CD1 4.01Å; L194-Y280 HydrophobicContact CD2-CE1 4.02Å; L194-Y280 HydrophobicContact CD2-CG 4.32Å; L194-Y280 HydrophobicContact CG-CD2 4.46Å; L194-Y280 HydrophobicContact CG-CG 4.46Å; L194-Y280 WeakPolarHBondContact O-CE2 3.32Å; L194-Y280 PolarHBondContact O-OH 2.9Å; L194-A307 HydrophobicContact CB-CB 3.61Å; L194-A307 HydrophobicContact CD1-CB 4.48Å
195Q95.6Very high93.8Very high29 Ų2931.9 Ų31.914%0.13616%0.16CC..Hα-helixtrans-55.2-47174-63.3175.8-45.700110.9F191 S192 F198 V199 Y234 D305 A307F191-Q195 PolarHBondContact O-N 2.91Å; F191-Q195 VanDerWaalsContact O-N 3.12Å; S192-Q195 PolarHBondContact OG-OE1 3.36Å; S192-Q195 VanDerWaalsContact OG-OE1 3.11Å; Q195-F198 PolarHBondContact O-N 2.94Å; Q195-V199 PolarHBondContact O-N 3.34Å; Q195-Y234 HydrophobicContact CG-CE1 4.49Å; Q195-D305 PolarHBondContact NE2-OD2 2.7Å; Q195-A307 HydrophobicContact CG-CB 3.62Å
196R94.8Very high94.7Very high42 Ų4231.7 Ų31.716%0.15816%0.158CC..Hα-helixtrans-60.5-49.5176.3-178.1-166.671.2-161.5-6.2111.2K66 G71 N72 S192 E193 L194 F198 V199 K200K66-R196 VanDerWaalsContact O-CD 3.29Å; K66-R196 WeakPolarHBondContact O-CD 3.15Å; G71-R196 WeakPolarHBondContact O-CG 3.46Å; N72-R196 VanDerWaalsContact OD1-CA 3.22Å; N72-R196 WeakPolarHBondContact OD1-CA 3.48Å; N72-R196 VanDerWaalsContact OD1-CG 3.3Å; N72-R196 WeakPolarHBondContact OD1-CG 3.29Å; S192-R196 WeakPolarHBondContact O-CB 3.25Å; S192-R196 PolarHBondContact O-N 3.4Å; E193-R196 IonicContact OE1-NH2 2.7Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 3.49Å; R196-F198 VanDerWaalsContact C-N 3.3Å; R196-F198 PolarHBondContact O-N 3.42Å; R196-V199 PolarHBondContact O-N 2.92Å; R196-K200 WeakPolarHBondContact O-CB 2.88Å; R196-K200 PolarHBondContact O-N 3.37Å
197N94.4Very high95.3Very high13 Ų1329.5 Ų29.57%0.0715%0.145CC..Hα-helixtrans-66.7-32.9-174.9-69.4-13.1000112.3N166 E193 L194 V199 K200 H201N166-N197 WeakPolarHBondContact OD1-CB 3.47Å; E193-N197 WeakPolarHBondContact O-CB 3.15Å; E193-N197 PolarHBondContact O-N 2.86Å; E193-N197 PolarHBondContact O-ND2 3.19Å; E193-N197 VanDerWaalsContact O-ND2 3.16Å; E193-N197 PolarHBondContact O-OD1 3.21Å; L194-N197 PolarHBondContact O-N 2.98Å; L194-N197 VanDerWaalsContact O-N 3.15Å; N197-V199 VanDerWaalsContact C-N 3.26Å; N197-V199 PolarHBondContact O-N 3.26Å; N197-K200 PolarHBondContact O-N 3.25Å; N197-H201 PolarHBondContact O-N 3.09Å; N197-H201 PolarHBondContact O-ND1 2.8Å
198F95.9Very high95.5Very high6 Ų629.4 Ų29.43%0.02615%0.146CC..Hα-helixtrans-58.3-39.4175.6-171-99.2000112.3L194 Q195 R196 R202 L238 I241 W277 K279 Y280 P306L194-F198 WeakPolarHBondContact O-CB 3.29Å; L194-F198 PolarHBondContact O-N 3.24Å; Q195-F198 PolarHBondContact O-N 2.94Å; R196-F198 VanDerWaalsContact C-N 3.3Å; R196-F198 PolarHBondContact O-N 3.42Å; F198-R202 PolarHBondContact O-NE 3.29Å; F198-R202 VanDerWaalsContact O-NE 3.08Å; F198-L238 HydrophobicContact CD1-CD2 3.69Å; F198-L238 HydrophobicContact CE1-CD2 3.53Å; F198-I241 HydrophobicContact CD1-CD1 3.96Å; F198-I241 HydrophobicContact CE1-CB 4.41Å; F198-I241 HydrophobicContact CE1-CD1 3.84Å; F198-I241 HydrophobicContact CE1-CG2 3.82Å; F198-I241 HydrophobicContact CZ-CG2 4.09Å; F198-W277 HydrophobicContact CE1-CZ2 4.48Å; F198-W277 HydrophobicContact CE2-CG 4.18Å; F198-W277 AromaticContact CZ-CD1 3.73Å; F198-W277 AromaticContact CZ-CD2 3.94Å; F198-W277 HydrophobicContact CZ-CD2 3.94Å; F198-W277 AromaticContact CZ-CE2 3.69Å; F198-W277 AromaticContact CZ-CG 3.99Å; F198-W277 HydrophobicContact CZ-CG 3.99Å; F198-W277 HydrophobicContact CZ-CZ2 4.23Å; F198-W277 AromaticContact CZ-NE1 3.58Å; F198-K279 HydrophobicContact CD2-CG 4.46Å; F198-K279 HydrophobicContact CE2-CB 4.41Å; F198-Y280 HydrophobicContact CB-CE2 4.09Å; F198-Y280 HydrophobicContact CD2-CE2 4.15Å; F198-Y280 PolarHBondContact N-OH 3.13Å; F198-P306 HydrophobicContact CB-CG 4.36Å; F198-P306 HydrophobicContact CD1-CB 4.48Å; F198-P306 HydrophobicContact CD1-CG 3.72Å; F198-P306 HydrophobicContact CD2-CB 3.73Å; F198-P306 HydrophobicContact CD2-CG 3.81Å; F198-P306 HydrophobicContact CE1-CB 4.44Å; F198-P306 HydrophobicContact CE1-CG 3.9Å; F198-P306 HydrophobicContact CE2-CB 3.7Å; F198-P306 HydrophobicContact CE2-CG 3.99Å; F198-P306 HydrophobicContact CG-CB 4.15Å; F198-P306 HydrophobicContact CG-CG 3.68Å; F198-P306 HydrophobicContact CZ-CB 4.08Å; F198-P306 HydrophobicContact CZ-CG 4.04Å
199V96.3Very high95.9Very high0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-85.8-51.1176.8-173.50000109.6N72 T74 Q195 R196 N197 H201 R202 K207 L210 Y234 I241N72-V199 HydrophobicContact CB-CB 4.08Å; N72-V199 HydrophobicContact CB-CG1 3.84Å; T74-V199 HydrophobicContact CG2-CG1 4.09Å; Q195-V199 PolarHBondContact O-N 3.34Å; R196-V199 PolarHBondContact O-N 2.92Å; N197-V199 VanDerWaalsContact C-N 3.26Å; N197-V199 PolarHBondContact O-N 3.26Å; V199-H201 PolarHBondContact O-N 3.03Å; V199-R202 WeakPolarHBondContact O-CB 3.27Å; V199-R202 WeakPolarHBondContact O-CG 3.5Å; V199-R202 PolarHBondContact O-N 2.9Å; V199-K207 WeakPolarHBondContact O-CE 3.37Å; V199-K207 PolarHBondContact O-NZ 3.47Å; V199-L210 HydrophobicContact CG1-CD1 3.97Å; V199-Y234 HydrophobicContact CG2-CE2 4.29Å; V199-I241 HydrophobicContact CB-CD1 4.46Å; V199-I241 HydrophobicContact CG1-CD1 4.45Å; V199-I241 HydrophobicContact CG2-CD1 3.97Å
200K94.7Very high96Very high100 Ų10028.4 Ų28.444%0.43514%0.14SC..Hα-helixtrans-51.7-44.6-170.1-175.7177.4177.4-178.40114.2R196 N197 R202 K207R196-K200 WeakPolarHBondContact O-CB 2.88Å; R196-K200 PolarHBondContact O-N 3.37Å; N197-K200 PolarHBondContact O-N 3.25Å; K200-R202 PolarHBondContact O-N 3.13Å; K200-R202 VanDerWaalsContact O-N 3.16Å; K200-K207 VanDerWaalsContact CA-NZ 3.33Å; K200-K207 WeakPolarHBondContact O-CE 3.48Å; K200-K207 PolarHBondContact O-NZ 2.92Å
201H93.5Very high96.1Very high99 Ų9929.8 Ų29.846%0.45814%0.144SC..THydrogen-bonded Turntrans-87.631.6-173.6-54.2100.7000113.7N166 N197 V199N166-H201 PolarHBondContact ND2-ND1 2.83Å; N197-H201 PolarHBondContact O-N 3.09Å; N197-H201 PolarHBondContact O-ND1 2.8Å; V199-H201 PolarHBondContact O-N 3.03Å
202R94.9Very high96.3Very high39 Ų3929.8 Ų29.815%0.14714%0.144CC..SBendtrans-101153.3177.7-61.8-61.3-179.6165.411.9111.8F198 V199 K200 L206 E245 E250F198-R202 PolarHBondContact O-NE 3.29Å; F198-R202 VanDerWaalsContact O-NE 3.08Å; V199-R202 WeakPolarHBondContact O-CB 3.27Å; V199-R202 WeakPolarHBondContact O-CG 3.5Å; V199-R202 PolarHBondContact O-N 2.9Å; K200-R202 PolarHBondContact O-N 3.13Å; K200-R202 VanDerWaalsContact O-N 3.16Å; R202-L206 HydrophobicContact CB-CD2 3.78Å; R202-L206 HydrophobicContact CB-CG 4.49Å; R202-L206 HydrophobicContact CG-CD2 4.01Å; R202-E245 IonicContact CZ-OE1 2.74Å; R202-E245 IonicContact NH1-OE1 3.8Å; R202-E245 PolarHBondContact NH1-OE1 3.42Å; R202-E245 IonicContact NH2-OE1 3.42Å; R202-E245 PolarHBondContact NH2-OE1 3.5Å; R202-E250 IonicContact NH1-OE2 2.8Å; R202-E250 PolarHBondContact NH1-OE2 2.82Å; R202-E250 VanDerWaalsContact NH1-OE2 3.14Å
203P97.1Very high96.4Very high23 Ų2329.4 Ų29.415%0.14914%0.142CC..  trans-55.9148.9-176.2-26.635.4000113.4K205 L206 K207 W244 E252P203-K205 PolarHBondContact O-N 3.1Å; P203-K205 VanDerWaalsContact O-N 3.17Å; P203-L206 WeakPolarHBondContact O-CB 3.4Å; P203-L206 PolarHBondContact O-N 2.92Å; P203-K207 WeakPolarHBondContact O-CG 3.31Å; P203-K207 PolarHBondContact O-N 2.94Å; P203-W244 HydrophobicContact CG-CH2 4.24Å; P203-W244 HydrophobicContact CG-CZ2 3.83Å; P203-E252 HydrophobicContact CB-CB 4.23Å; P203-E252 HydrophobicContact CB-CG 4.12Å; P203-E252 HydrophobicContact CG-CB 4.38Å; P203-E252 HydrophobicContact CG-CG 3.83Å
204T95.9Very high96.6Very high114 Ų11428.2 Ų28.270%0.69914%0.136SC*.Hα-helixtrans-55.5-37.1-177.7-57.80000112.5K207 S208T204-K207 WeakPolarHBondContact O-CA 3.34Å; T204-K207 VanDerWaalsContact O-CB 3.27Å; T204-K207 WeakPolarHBondContact O-CB 3.47Å; T204-K207 PolarHBondContact O-N 3.47Å; T204-K207 VanDerWaalsContact O-N 3.15Å; T204-S208 PolarHBondContact O-N 3.19Å; T204-S208 PolarHBondContact O-OG 3.48Å
205K97.5Very high96.7Very high59 Ų5928.7 Ų28.726%0.25714%0.138SC..Hα-helixtrans-68.1-38.2178.1-153.3165.8-168.1-175.90112.5P203 K207 S208 L209 F254P203-K205 PolarHBondContact O-N 3.1Å; P203-K205 VanDerWaalsContact O-N 3.17Å; K205-K207 VanDerWaalsContact C-N 3.28Å; K205-K207 PolarHBondContact O-N 3.12Å; K205-S208 WeakPolarHBondContact O-CA 3.18Å; K205-S208 VanDerWaalsContact O-CB 3.29Å; K205-S208 WeakPolarHBondContact O-CB 3.34Å; K205-S208 PolarHBondContact O-N 3.29Å; K205-L209 PolarHBondContact O-N 3.39Å; K205-L209 VanDerWaalsContact O-N 3.08Å; K205-F254 HydrophobicContact CB-CE1 4Å; K205-F254 HydrophobicContact CB-CZ 4.17Å; K205-F254 WeakPolarHBondContact CD-O 3.46Å; K205-F254 WeakPolarHBondContact CE-O 3.35Å; K205-F254 HydrophobicContact CG-CE1 4.25Å; K205-F254 HydrophobicContact CG-CE2 4.45Å; K205-F254 HydrophobicContact CG-CZ 4.09Å; K205-F254 PolarHBondContact NZ-O 2.76Å
206L98.2Very high96.8Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-63.3-35.3170-17459000111.9R202 P203 S208 L209 L210 T240 I241 W244 F254R202-L206 HydrophobicContact CB-CD2 3.78Å; R202-L206 HydrophobicContact CB-CG 4.49Å; R202-L206 HydrophobicContact CG-CD2 4.01Å; P203-L206 WeakPolarHBondContact O-CB 3.4Å; P203-L206 PolarHBondContact O-N 2.92Å; L206-S208 VanDerWaalsContact C-N 3.25Å; L206-S208 PolarHBondContact O-N 2.93Å; L206-L209 HydrophobicContact CD1-CB 4.41Å; L206-L209 HydrophobicContact CD1-CD2 4.13Å; L206-L209 PolarHBondContact O-N 2.81Å; L206-L210 HydrophobicContact CG-CD1 4.36Å; L206-L210 WeakPolarHBondContact O-CG 3.44Å; L206-L210 PolarHBondContact O-N 3.49Å; L206-T240 HydrophobicContact CD1-CG2 4.33Å; L206-I241 HydrophobicContact CD2-CG1 4.18Å; L206-W244 HydrophobicContact CD1-CB 3.62Å; L206-W244 HydrophobicContact CD1-CD2 4.12Å; L206-W244 HydrophobicContact CD1-CG 3.67Å; L206-W244 HydrophobicContact CD2-CB 4.42Å; L206-W244 HydrophobicContact CD2-CD2 3.52Å; L206-W244 HydrophobicContact CD2-CE3 3.39Å; L206-W244 HydrophobicContact CD2-CG 4Å; L206-W244 HydrophobicContact CD2-CH2 4.42Å; L206-W244 HydrophobicContact CD2-CZ3 3.89Å; L206-W244 HydrophobicContact CG-CD2 4.28Å; L206-W244 HydrophobicContact CG-CG 4.32Å; L206-F254 HydrophobicContact CB-CE1 4.27Å; L206-F254 HydrophobicContact CB-CZ 4.33Å; L206-F254 HydrophobicContact CD1-CZ 4.41Å
207K97.3Very high96.9Very high14 Ų1425.5 Ų25.56%0.06113%0.125CC..Hα-helixtrans-64.1-30.2172.2-57.3-61.3-165.8164.80113N72 T74 V199 K200 P203 T204 K205 L210 R211N72-K207 PolarHBondContact O-NZ 3.06Å; T74-K207 HydrophobicContact CG2-CD 3.88Å; V199-K207 WeakPolarHBondContact O-CE 3.37Å; V199-K207 PolarHBondContact O-NZ 3.47Å; K200-K207 VanDerWaalsContact CA-NZ 3.33Å; K200-K207 WeakPolarHBondContact O-CE 3.48Å; K200-K207 PolarHBondContact O-NZ 2.92Å; P203-K207 WeakPolarHBondContact O-CG 3.31Å; P203-K207 PolarHBondContact O-N 2.94Å; T204-K207 WeakPolarHBondContact O-CA 3.34Å; T204-K207 VanDerWaalsContact O-CB 3.27Å; T204-K207 WeakPolarHBondContact O-CB 3.47Å; T204-K207 PolarHBondContact O-N 3.47Å; T204-K207 VanDerWaalsContact O-N 3.15Å; K205-K207 VanDerWaalsContact C-N 3.28Å; K205-K207 PolarHBondContact O-N 3.12Å; K207-L210 HydrophobicContact CD-CD1 4.14Å; K207-R211 VanDerWaalsContact CB-NH1 3.26Å; K207-R211 VanDerWaalsContact O-CG 3.29Å; K207-R211 WeakPolarHBondContact O-CG 3.46Å; K207-R211 PolarHBondContact O-N 3.06Å; K207-R211 PolarHBondContact O-NH1 3.49Å
208S97.9Very high97Very high12 Ų1227 Ų278%0.08413%0.131CC..Hα-helixtrans-69.7-44172.4-66.40000111.2T204 K205 L206 R211 L212T204-S208 PolarHBondContact O-N 3.19Å; T204-S208 PolarHBondContact O-OG 3.48Å; K205-S208 WeakPolarHBondContact O-CA 3.18Å; K205-S208 VanDerWaalsContact O-CB 3.29Å; K205-S208 WeakPolarHBondContact O-CB 3.34Å; K205-S208 PolarHBondContact O-N 3.29Å; L206-S208 VanDerWaalsContact C-N 3.25Å; L206-S208 PolarHBondContact O-N 2.93Å; S208-R211 WeakPolarHBondContact O-CB 3.22Å; S208-R211 PolarHBondContact O-N 3.49Å; S208-L212 PolarHBondContact O-N 2.96Å
209L98.6Very high96.9Very high0 Ų030.7 Ų30.70%015%0.149CC..Hα-helixtrans-61.1-45.7174.9-177.858.3000112.3K205 L206 R211 L212 V213 T240 F254 L256 F260 W346K205-L209 PolarHBondContact O-N 3.39Å; K205-L209 VanDerWaalsContact O-N 3.08Å; L206-L209 HydrophobicContact CD1-CB 4.41Å; L206-L209 HydrophobicContact CD1-CD2 4.13Å; L206-L209 PolarHBondContact O-N 2.81Å; L209-R211 VanDerWaalsContact C-N 3.29Å; L209-R211 PolarHBondContact O-N 3.32Å; L209-L212 WeakPolarHBondContact O-CB 3.24Å; L209-L212 PolarHBondContact O-N 2.99Å; L209-L212 VanDerWaalsContact O-N 3.09Å; L209-V213 HydrophobicContact CD1-CG2 4.23Å; L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 3.19Å; L209-T240 HydrophobicContact CB-CG2 4.47Å; L209-T240 HydrophobicContact CD2-CG2 3.75Å; L209-T240 HydrophobicContact CG-CG2 3.67Å; L209-F254 HydrophobicContact CB-CE2 4.33Å; L209-F254 HydrophobicContact CB-CZ 4.3Å; L209-F254 HydrophobicContact CD2-CE2 4.06Å; L209-F254 HydrophobicContact CD2-CZ 4.36Å; L209-L256 HydrophobicContact CB-CD1 3.62Å; L209-L256 HydrophobicContact CD1-CD1 3.94Å; L209-L256 HydrophobicContact CG-CD1 4.35Å; L209-F260 HydrophobicContact CD1-CB 3.97Å; L209-W346 HydrophobicContact CD2-CH2 4.29Å
210L98.2Very high96.9Very high1 Ų131.2 Ų31.21%0.00515%0.151CC..Hα-helixtrans-57-43.2175.1-74165.9000111.5T74 V199 L206 K207 K214 E237 T240 I241T74-L210 HydrophobicContact CG2-CB 4.08Å; T74-L210 HydrophobicContact CG2-CD1 3.97Å; V199-L210 HydrophobicContact CG1-CD1 3.97Å; L206-L210 HydrophobicContact CG-CD1 4.36Å; L206-L210 WeakPolarHBondContact O-CG 3.44Å; L206-L210 PolarHBondContact O-N 3.49Å; K207-L210 HydrophobicContact CD-CD1 4.14Å; L210-K214 WeakPolarHBondContact O-CB 3.07Å; L210-K214 WeakPolarHBondContact O-CD 3.46Å; L210-K214 WeakPolarHBondContact O-CG 3.34Å; L210-K214 PolarHBondContact O-N 2.89Å; L210-E237 HydrophobicContact CD2-CB 3.83Å; L210-E237 HydrophobicContact CD2-CG 3.99Å; L210-T240 HydrophobicContact CD2-CG2 3.81Å; L210-T240 HydrophobicContact CG-CG2 4.19Å; L210-I241 HydrophobicContact CD2-CG1 4.43Å
211R98Very high97Very high31 Ų3126.4 Ų26.412%0.11713%0.13CC..Hα-helixtrans-63-42.6175.8-76172.8177.897.3-4.2111.9V19 L23 G73 V75 L76 K207 S208 L209 K214 H215V19-R211 HydrophobicContact CG1-CB 4.48Å; L23-R211 HydrophobicContact CD1-CB 4.42Å; G73-R211 PolarHBondContact O-NH2 2.88Å; V75-R211 PolarHBondContact O-NE 3.19Å; V75-R211 VanDerWaalsContact O-NE 3.1Å; L76-R211 HydrophobicContact CD2-CB 3.59Å; L76-R211 HydrophobicContact CD2-CG 3.79Å; L76-R211 WeakPolarHBondContact CD2-O 3.11Å; K207-R211 VanDerWaalsContact CB-NH1 3.26Å; K207-R211 VanDerWaalsContact O-CG 3.29Å; K207-R211 WeakPolarHBondContact O-CG 3.46Å; K207-R211 PolarHBondContact O-N 3.06Å; K207-R211 PolarHBondContact O-NH1 3.49Å; S208-R211 WeakPolarHBondContact O-CB 3.22Å; S208-R211 PolarHBondContact O-N 3.49Å; L209-R211 VanDerWaalsContact C-N 3.29Å; L209-R211 PolarHBondContact O-N 3.32Å; R211-K214 PolarHBondContact O-N 3.4Å; R211-H215 WeakPolarHBondContact O-CB 3.42Å; R211-H215 PolarHBondContact O-N 3.33Å
212L98.4Very high97.1Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-61.6-48.7179.2-172.761.7000111.7L7 L15 F18 V19 L23 S208 L209 K214 H215 W216 L256 F260L7-L212 HydrophobicContact CD1-CD1 3.62Å; L7-L212 HydrophobicContact CD2-CD1 4.3Å; L15-L212 HydrophobicContact CB-CD2 4.36Å; L15-L212 HydrophobicContact CD1-CD2 4.05Å; L15-L212 HydrophobicContact CD2-CD1 4.41Å; L15-L212 HydrophobicContact CD2-CD2 4.3Å; L15-L212 HydrophobicContact CG-CD2 4.48Å; F18-L212 HydrophobicContact CD1-CD1 3.95Å; F18-L212 HydrophobicContact CE1-CD1 4.03Å; V19-L212 HydrophobicContact CG2-CB 4.09Å; V19-L212 HydrophobicContact CG2-CD1 4.19Å; L23-L212 HydrophobicContact CD1-CB 4.5Å; L23-L212 HydrophobicContact CD1-CD1 4.11Å; S208-L212 PolarHBondContact O-N 2.96Å; L209-L212 WeakPolarHBondContact O-CB 3.24Å; L209-L212 PolarHBondContact O-N 2.99Å; L209-L212 VanDerWaalsContact O-N 3.09Å; L212-K214 PolarHBondContact O-N 3.21Å; L212-H215 PolarHBondContact O-N 2.87Å; L212-W216 WeakPolarHBondContact O-CB 3.45Å; L212-W216 PolarHBondContact O-N 2.87Å; L212-L256 HydrophobicContact CD2-CD2 4.21Å; L212-L256 HydrophobicContact CD2-CG 4.11Å; L212-F260 HydrophobicContact CD2-CB 3.92Å; L212-F260 HydrophobicContact CD2-CD2 3.63Å; L212-F260 HydrophobicContact CD2-CE2 4.28Å; L212-F260 HydrophobicContact CD2-CG 3.79Å; L212-F260 HydrophobicContact CG-CD2 3.71Å; L212-F260 HydrophobicContact CG-CE2 3.93Å; L212-F260 HydrophobicContact CG-CG 4.34Å
213V98.5Very high97Very high1 Ų128.9 Ų28.91%0.00615%0.153CC..Hα-helixtrans-63-42177174.90000111.2L209 W216 Y217 L236 T240 F260 V263L209-V213 HydrophobicContact CD1-CG2 4.23Å; L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 3.19Å; V213-W216 PolarHBondContact O-N 3.37Å; V213-Y217 WeakPolarHBondContact O-CB 3.42Å; V213-Y217 PolarHBondContact O-N 2.86Å; V213-L236 HydrophobicContact CG1-CB 4.23Å; V213-T240 HydrophobicContact CG2-CG2 4.36Å; V213-F260 HydrophobicContact CG2-CD2 4.09Å; V213-F260 HydrophobicContact CG2-CE2 4.47Å; V213-V263 HydrophobicContact CG1-CG1 4.1Å; V213-V263 HydrophobicContact CG2-CB 4.29Å; V213-V263 HydrophobicContact CG2-CG1 4Å; V213-V263 HydrophobicContact CG2-CG2 4.33Å
214K97.4Very high96.9Very high3 Ų334 Ų341%0.01317%0.169CC..Hα-helixtrans-63.6-43.7176.6-70.6170.173.6158.30112.2S69 T74 L76 L210 R211 L212 Y217 Q218 L233 E237S69-K214 PolarHBondContact OG-NZ 2.83Å; T74-K214 PolarHBondContact O-NZ 3.19Å; T74-K214 VanDerWaalsContact O-NZ 3.13Å; T74-K214 PolarHBondContact OG1-NZ 3.36Å; L76-K214 HydrophobicContact CD1-CB 3.91Å; L210-K214 WeakPolarHBondContact O-CB 3.07Å; L210-K214 WeakPolarHBondContact O-CD 3.46Å; L210-K214 WeakPolarHBondContact O-CG 3.34Å; L210-K214 PolarHBondContact O-N 2.89Å; R211-K214 PolarHBondContact O-N 3.4Å; L212-K214 PolarHBondContact O-N 3.21Å; K214-Y217 PolarHBondContact O-N 2.86Å; K214-Q218 WeakPolarHBondContact O-CB 3.38Å; K214-Q218 WeakPolarHBondContact O-CG 3.38Å; K214-Q218 PolarHBondContact O-N 3.06Å; K214-L233 HydrophobicContact CB-CD2 4.31Å; K214-L233 HydrophobicContact CG-CD2 4.13Å; K214-E237 HydrophobicContact CD-CG 4.19Å; K214-E237 WeakPolarHBondContact CD-OE1 3.2Å; K214-E237 WeakPolarHBondContact CE-OE1 3.34Å; K214-E237 HydrophobicContact CG-CG 4.41Å; K214-E237 IonicContact NZ-OE1 3.59Å; K214-E237 PolarHBondContact NZ-OE1 3.43Å
215H97.3Very high96.8Very high17 Ų1729.7 Ų29.78%0.07914%0.143CC..Hα-helixtrans-61.5-48.1176.2173.182.1000110.5F18 L23 L76 R211 L212 Y217 Q218 Q219F18-H215 AromaticContact CZ-NE2 3.78Å; L23-H215 HydrophobicContact CD1-CB 3.75Å; L23-H215 HydrophobicContact CD2-CB 3.77Å; L23-H215 VanDerWaalsContact CD2-ND1 3.31Å; L23-H215 WeakPolarHBondContact CD2-ND1 3.38Å; L23-H215 HydrophobicContact CG-CB 4.43Å; L76-H215 HydrophobicContact CD1-CB 4.23Å; L76-H215 HydrophobicContact CD2-CB 4.47Å; R211-H215 WeakPolarHBondContact O-CB 3.42Å; R211-H215 PolarHBondContact O-N 3.33Å; L212-H215 PolarHBondContact O-N 2.87Å; H215-Y217 VanDerWaalsContact C-N 3.3Å; H215-Y217 PolarHBondContact O-N 3.39Å; H215-Q218 PolarHBondContact O-N 3.33Å; H215-Q219 WeakPolarHBondContact O-CB 3.36Å; H215-Q219 WeakPolarHBondContact O-CG 3.49Å; H215-Q219 PolarHBondContact O-N 3.47Å
216W98.1Very high96.5Very high0 Ų031.8 Ų31.80%016%0.163CC..Hα-helixtrans-53.6-49.6174.9167.884.6000111.3L7 L212 V213 Q218 Q219 Y220 V221 F260 M264 L267 V322 K325 A326 C329L7-W216 HydrophobicContact CD2-CB 3.85Å; L7-W216 HydrophobicContact CD2-CG 4.46Å; L212-W216 WeakPolarHBondContact O-CB 3.45Å; L212-W216 PolarHBondContact O-N 2.87Å; V213-W216 PolarHBondContact O-N 3.37Å; W216-Q218 PolarHBondContact O-N 3.35Å; W216-Q219 PolarHBondContact O-N 3.49Å; W216-Y220 WeakPolarHBondContact O-CB 3.46Å; W216-Y220 WeakPolarHBondContact O-CD2 3.33Å; W216-Y220 PolarHBondContact O-N 2.9Å; W216-V221 HydrophobicContact CD2-CG2 4.39Å; W216-V221 HydrophobicContact CE3-CG2 4.29Å; W216-V221 HydrophobicContact CH2-CG2 3.65Å; W216-V221 HydrophobicContact CZ2-CG2 3.74Å; W216-V221 HydrophobicContact CZ3-CG2 3.94Å; W216-F260 HydrophobicContact CB-CE2 4Å; W216-F260 HydrophobicContact CB-CZ 4.15Å; W216-F260 HydrophobicContact CG-CE2 4.28Å; W216-F260 HydrophobicContact CG-CZ 4.11Å; W216-M264 HydrophobicContact CD2-CE 3.42Å; W216-M264 VanDerWaalsContact CD2-CE 3.42Å; W216-M264 HydrophobicContact CD2-SD 3.99Å; W216-M264 VanDerWaalsContact CE2-SD 3.58Å; W216-M264 HydrophobicContact CE3-CE 3.54Å; W216-M264 HydrophobicContact CE3-SD 4.29Å; W216-M264 HydrophobicContact CG-CE 3.86Å; W216-M264 HydrophobicContact CH2-CE 4.2Å; W216-M264 HydrophobicContact CH2-SD 3.91Å; W216-M264 HydrophobicContact CZ2-CE 4.1Å; W216-M264 HydrophobicContact CZ2-SD 3.56Å; W216-M264 VanDerWaalsContact CZ2-SD 3.56Å; W216-M264 HydrophobicContact CZ3-CE 3.93Å; W216-M264 HydrophobicContact CZ3-SD 4.26Å; W216-L267 HydrophobicContact CH2-CD1 3.65Å; W216-L267 HydrophobicContact CZ3-CD1 3.66Å; W216-V322 HydrophobicContact CH2-CG1 3.81Å; W216-V322 HydrophobicContact CZ3-CG1 4.2Å; W216-K325 HydrophobicContact CZ2-CB 4.01Å; W216-A326 HydrophobicContact CH2-CB 4.28Å; W216-A326 HydrophobicContact CZ2-CB 4.18Å; W216-C329 PolarHBondContact NE1-SG 3.33Å; W216-C329 VanDerWaalsContact NE1-SG 3.43Å
217Y97.9Very high96.3Very high4 Ų443.6 Ų43.62%0.01621%0.208CC..Iπ-helixtrans-62.6-45.5-178.4-172.6-105.4000112.5V213 K214 H215 V221 K222 L230 P231 L233 L236 V322V213-Y217 WeakPolarHBondContact O-CB 3.42Å; V213-Y217 PolarHBondContact O-N 2.86Å; K214-Y217 PolarHBondContact O-N 2.86Å; H215-Y217 VanDerWaalsContact C-N 3.3Å; H215-Y217 PolarHBondContact O-N 3.39Å; Y217-V221 HydrophobicContact CD2-CB 3.88Å; Y217-V221 HydrophobicContact CD2-CG1 4.21Å; Y217-V221 HydrophobicContact CD2-CG2 3.91Å; Y217-V221 HydrophobicContact CE2-CB 4.06Å; Y217-V221 HydrophobicContact CE2-CG1 3.9Å; Y217-V221 HydrophobicContact CE2-CG2 4.43Å; Y217-V221 WeakPolarHBondContact O-CA 3.45Å; Y217-V221 VanDerWaalsContact O-CB 3.28Å; Y217-V221 WeakPolarHBondContact O-CB 3.35Å; Y217-V221 PolarHBondContact O-N 3.05Å; Y217-K222 PolarHBondContact O-N 3.21Å; Y217-L230 WeakPolarHBondContact OH-CB 3.4Å; Y217-P231 HydrophobicContact CE2-CG 4.41Å; Y217-P231 VanDerWaalsContact OH-CD 3.32Å; Y217-P231 WeakPolarHBondContact OH-CD 3.34Å; Y217-P231 PolarHBondContact OH-O 3.34Å; Y217-L233 HydrophobicContact CD1-CD2 3.4Å; Y217-L233 HydrophobicContact CD1-CG 4.12Å; Y217-L233 HydrophobicContact CE1-CD2 4.09Å; Y217-L233 HydrophobicContact CE1-CG 4.35Å; Y217-L233 HydrophobicContact CG-CD2 4.19Å; Y217-L236 HydrophobicContact CD2-CD2 4.25Å; Y217-L236 HydrophobicContact CD2-CG 4.11Å; Y217-L236 HydrophobicContact CE2-CD2 4Å; Y217-L236 HydrophobicContact CE2-CG 4.35Å; Y217-L236 HydrophobicContact CG-CG 4.42Å; Y217-V322 HydrophobicContact CE2-CG1 4.36Å; Y217-V322 HydrophobicContact CE2-CG2 4.1Å
218Q95.4Very high96.1Very high44 Ų4444.4 Ų44.421%0.20622%0.217CC..Iπ-helixtrans-64.4-46.7179.5-73.6-179.3-8.700112.1K214 H215 W216 A223 L233K214-Q218 WeakPolarHBondContact O-CB 3.38Å; K214-Q218 WeakPolarHBondContact O-CG 3.38Å; K214-Q218 PolarHBondContact O-N 3.06Å; H215-Q218 PolarHBondContact O-N 3.33Å; W216-Q218 PolarHBondContact O-N 3.35Å; Q218-A223 WeakPolarHBondContact O-CB 3.47Å; Q218-A223 PolarHBondContact O-N 3.08Å; Q218-L233 HydrophobicContact CG-CD2 4.49Å
219Q94.8Very high96Very high83 Ų8348.5 Ų48.539%0.38824%0.238SC..Iπ-helixtrans-83.3-38.9-171.8-62-54.2-42.400113.6H215 W216H215-Q219 WeakPolarHBondContact O-CB 3.36Å; H215-Q219 WeakPolarHBondContact O-CG 3.49Å; H215-Q219 PolarHBondContact O-N 3.47Å; W216-Q219 PolarHBondContact O-N 3.49Å
220Y95.8Very high95.9Very high11 Ų1149.4 Ų49.44%0.04324%0.242CC..Iπ-helixtrans-104.8-17.4-170.3-58.5-87.3000113.2L7 Y8 W216 R224L7-Y220 HydrophobicContact CB-CE2 3.82Å; L7-Y220 HydrophobicContact CD2-CE2 4.14Å; L7-Y220 PolarHBondContact N-OH 2.91Å; L7-Y220 VanDerWaalsContact N-OH 3.1Å; Y8-Y220 HydrophobicContact CD1-CD1 4.35Å; Y8-Y220 HydrophobicContact CD1-CE1 4.02Å; Y8-Y220 AromaticContact CD2-CD1 3.98Å; Y8-Y220 HydrophobicContact CD2-CD1 3.98Å; Y8-Y220 AromaticContact CD2-CE1 3.75Å; Y8-Y220 HydrophobicContact CD2-CE1 3.75Å; Y8-Y220 AromaticContact CE1-CD1 3.93Å; Y8-Y220 HydrophobicContact CE1-CD1 3.93Å; Y8-Y220 HydrophobicContact CE1-CD2 4.35Å; Y8-Y220 HydrophobicContact CE1-CE1 4.07Å; Y8-Y220 HydrophobicContact CE1-CE2 4.47Å; Y8-Y220 HydrophobicContact CE1-CG 4.08Å; Y8-Y220 AromaticContact CE2-CD1 3.53Å; Y8-Y220 HydrophobicContact CE2-CD1 3.53Å; Y8-Y220 AromaticContact CE2-CE1 3.81Å; Y8-Y220 HydrophobicContact CE2-CE1 3.81Å; Y8-Y220 HydrophobicContact CE2-CG 4.33Å; Y8-Y220 HydrophobicContact CG-CD1 4.38Å; Y8-Y220 AromaticContact CG-CE1 3.86Å; Y8-Y220 HydrophobicContact CG-CE1 3.86Å; Y8-Y220 AromaticContact CZ-CD1 3.5Å; Y8-Y220 AromaticContact CZ-CE1 3.98Å; Y8-Y220 AromaticContact CZ-CG 3.84Å; W216-Y220 WeakPolarHBondContact O-CB 3.46Å; W216-Y220 WeakPolarHBondContact O-CD2 3.33Å; W216-Y220 PolarHBondContact O-N 2.9Å; Y220-R224 WeakPolarHBondContact O-CD 3.42Å
221V96.7Very high95.8Very high0 Ų049.5 Ų49.50%024%0.243CC..Iπ-helixtrans-110.1-65.4178.1-166.10000110.9W216 Y217 R224 S225 L230 V322 K325W216-V221 HydrophobicContact CD2-CG2 4.39Å; W216-V221 HydrophobicContact CE3-CG2 4.29Å; W216-V221 HydrophobicContact CH2-CG2 3.65Å; W216-V221 HydrophobicContact CZ2-CG2 3.74Å; W216-V221 HydrophobicContact CZ3-CG2 3.94Å; Y217-V221 HydrophobicContact CD2-CB 3.88Å; Y217-V221 HydrophobicContact CD2-CG1 4.21Å; Y217-V221 HydrophobicContact CD2-CG2 3.91Å; Y217-V221 HydrophobicContact CE2-CB 4.06Å; Y217-V221 HydrophobicContact CE2-CG1 3.9Å; Y217-V221 HydrophobicContact CE2-CG2 4.43Å; Y217-V221 WeakPolarHBondContact O-CA 3.45Å; Y217-V221 VanDerWaalsContact O-CB 3.28Å; Y217-V221 WeakPolarHBondContact O-CB 3.35Å; Y217-V221 PolarHBondContact O-N 3.05Å; V221-R224 PolarHBondContact O-N 3.43Å; V221-S225 PolarHBondContact O-N 3.28Å; V221-L230 HydrophobicContact CG1-CD1 4.01Å; V221-L230 HydrophobicContact CG1-CD2 4.11Å; V221-V322 HydrophobicContact CG1-CG2 4.17Å; V221-K325 HydrophobicContact CG1-CG 4.37Å; V221-K325 HydrophobicContact CG2-CB 3.85Å; V221-K325 HydrophobicContact CG2-CG 4.11Å
222K94.7Very high95.6Very high123 Ų12350 Ų5054%0.53525%0.251SS..Iπ-helixtrans-64.9-48.7-173.4-166175.9-177179.50112.3Y217 R224 S225 P226 L230Y217-K222 PolarHBondContact O-N 3.21Å; K222-R224 PolarHBondContact O-N 2.84Å; K222-S225 CarbonylContact O-C 3.58Å; K222-S225 PolarHBondContact O-N 3.1Å; K222-P226 WeakPolarHBondContact O-CA 3.36Å; K222-L230 HydrophobicContact CB-CD1 4.28Å; K222-L230 HydrophobicContact CG-CD1 4.44Å
223A94Very high95.5Very high66 Ų6652.1 Ų52.155%0.54526%0.261SS..THydrogen-bonded Turntrans-63.7-28.9178.200000113.1Q218Q218-A223 WeakPolarHBondContact O-CB 3.47Å; Q218-A223 PolarHBondContact O-N 3.08Å
224R94Very high95.3Very high130 Ų13053.8 Ų53.849%0.49127%0.268SS..THydrogen-bonded Turntrans-87.8-14.7179.4-59-167.1-176.6-165.7-2.5113.8Y220 V221 K222Y220-R224 WeakPolarHBondContact O-CD 3.42Å; V221-R224 PolarHBondContact O-N 3.43Å; K222-R224 PolarHBondContact O-N 2.84Å
225S94.3Very high95.3Very high24 Ų2453.7 Ų53.717%0.16827%0.267CS..  trans-138.256.3-179.7-450000111.7V221 K222 R227 A228V221-S225 PolarHBondContact O-N 3.28Å; K222-S225 CarbonylContact O-C 3.58Å; K222-S225 PolarHBondContact O-N 3.1Å; S225-R227 PolarHBondContact O-N 3.4Å; S225-R227 VanDerWaalsContact O-N 3.15Å; S225-A228 WeakPolarHBondContact O-CB 3.37Å; S225-A228 PolarHBondContact O-N 3.48Å; S225-A228 VanDerWaalsContact O-N 3.1Å
226P91.7Very high95.3Very high103 Ų10352.9 Ų52.967%0.66926%0.264SS*.THydrogen-bonded Turntrans-67.2-21.2-167.626.9-36.1000114.4K222K222-P226 WeakPolarHBondContact O-CA 3.36Å
227R92.7Very high95.3Very high249 Ų24953.2 Ų53.294%0.9427%0.266SS*.THydrogen-bonded Turntrans-93.2-8.2178.5-63.1-176.1-178.2173.70.4113.6S225S225-R227 PolarHBondContact O-N 3.4Å; S225-R227 VanDerWaalsContact O-N 3.15Å
228A94.4Very high95.4Very high30 Ų3053 Ų5325%0.24827%0.265CS..SBendtrans-78.9142.2-179.600000110.1S225 L230 I321S225-A228 WeakPolarHBondContact O-CB 3.37Å; S225-A228 PolarHBondContact O-N 3.48Å; S225-A228 VanDerWaalsContact O-N 3.1Å; A228-L230 HydrophobicContact CB-CD2 3.93Å; A228-L230 HydrophobicContact CB-CG 3.92Å; A228-L230 PolarHBondContact O-N 3.03Å; A228-I321 HydrophobicContact CB-CD1 3.67Å
229N94.7Very high95.5Very high98 Ų9851 Ų5152%0.52426%0.255SS..  trans-75.677.1171.5-168.734.9000109.8G316 Y317 R318N229-G316 PolarHBondContact ND2-O 3.39Å; N229-Y317 WeakPolarHBondContact O-CA 3.18Å; N229-R318 PolarHBondContact O-N 3.36Å
230L96.9Very high95.7Very high19 Ų1947 Ų4710%0.09924%0.237CC..PPolyproline II helixtrans-82.7152.6-177.7-59.5170.7000111.1Y217 V221 K222 A228 Y317 R318 I321 V322Y217-L230 WeakPolarHBondContact OH-CB 3.4Å; V221-L230 HydrophobicContact CG1-CD1 4.01Å; V221-L230 HydrophobicContact CG1-CD2 4.11Å; K222-L230 HydrophobicContact CB-CD1 4.28Å; K222-L230 HydrophobicContact CG-CD1 4.44Å; A228-L230 HydrophobicContact CB-CD2 3.93Å; A228-L230 HydrophobicContact CB-CG 3.92Å; A228-L230 PolarHBondContact O-N 3.03Å; L230-Y317 VanDerWaalsContact C-CD1 3.48Å; L230-Y317 WeakPolarHBondContact O-CD1 3.44Å; L230-R318 HydrophobicContact CD2-CB 4.49Å; L230-I321 HydrophobicContact CD2-CB 4.08Å; L230-I321 HydrophobicContact CD2-CD1 4.39Å; L230-I321 HydrophobicContact CD2-CG2 3.92Å; L230-V322 HydrophobicContact CD2-CG2 4.39Å
231P96.6Very high95.8Very high3 Ų346.5 Ų46.52%0.01923%0.234CC..PPolyproline II helixtrans-59.4154.4-178.622.9-32.7000113.6Y217 A235 L236 Y317 W319 V322Y217-P231 HydrophobicContact CE2-CG 4.41Å; Y217-P231 VanDerWaalsContact OH-CD 3.32Å; Y217-P231 WeakPolarHBondContact OH-CD 3.34Å; Y217-P231 PolarHBondContact OH-O 3.34Å; P231-A235 HydrophobicContact CB-CB 4.46Å; P231-L236 HydrophobicContact CB-CD2 4.29Å; P231-L236 HydrophobicContact CG-CD2 4.08Å; P231-Y317 VanDerWaalsContact CA-CG 3.49Å; P231-Y317 HydrophobicContact CB-CD2 4.28Å; P231-Y317 HydrophobicContact CB-CG 4.1Å; P231-W319 HydrophobicContact CB-CD2 4.36Å; P231-W319 HydrophobicContact CB-CH2 3.99Å; P231-W319 HydrophobicContact CB-CZ2 3.51Å; P231-W319 HydrophobicContact CG-CD2 4.02Å; P231-W319 HydrophobicContact CG-CE3 4.15Å; P231-W319 HydrophobicContact CG-CH2 4.07Å; P231-W319 HydrophobicContact CG-CZ2 3.93Å; P231-W319 HydrophobicContact CG-CZ3 4.17Å; P231-V322 HydrophobicContact CG-CG2 3.73Å
232P94.3Very high95.8Very high42 Ų4246.5 Ų46.527%0.27324%0.235SC..PPolyproline II helixtrans-66.8149.1177.228.4-34.3000110.4Y234 A235 L236 V313 Y317P232-Y234 PolarHBondContact O-N 3.45Å; P232-Y234 VanDerWaalsContact O-N 3.08Å; P232-A235 HydrophobicContact CG-CB 4.11Å; P232-A235 WeakPolarHBondContact O-CB 3.12Å; P232-A235 PolarHBondContact O-N 2.92Å; P232-L236 WeakPolarHBondContact O-CD2 3.28Å; P232-V313 WeakPolarHBondContact CD-O 3.34Å; P232-V313 WeakPolarHBondContact CG-O 3.03Å; P232-Y317 VanDerWaalsContact CD-CE2 3.49Å; P232-Y317 HydrophobicContact CG-CE2 4.34Å
233L94.6Very high95.9Very high44 Ų4440.7 Ų40.723%0.2321%0.209CC..Hα-helixtrans-52.5-33.7174.7-81.4168.2000112.1K214 Y217 Q218 A235 L236 E237K214-L233 HydrophobicContact CB-CD2 4.31Å; K214-L233 HydrophobicContact CG-CD2 4.13Å; Y217-L233 HydrophobicContact CD1-CD2 3.4Å; Y217-L233 HydrophobicContact CD1-CG 4.12Å; Y217-L233 HydrophobicContact CE1-CD2 4.09Å; Y217-L233 HydrophobicContact CE1-CG 4.35Å; Y217-L233 HydrophobicContact CG-CD2 4.19Å; Q218-L233 HydrophobicContact CG-CD2 4.49Å; L233-A235 VanDerWaalsContact C-N 3.29Å; L233-A235 PolarHBondContact O-N 3.14Å; L233-L236 PolarHBondContact O-N 2.97Å; L233-L236 VanDerWaalsContact O-N 3.13Å; L233-E237 PolarHBondContact O-N 2.86Å
234Y95.6Very high96.1Very high37 Ų3737.7 Ų37.715%0.14518%0.184CC..Hα-helixtrans-59.6-36.7178-173.3-130.2000113Q195 V199 P232 L236 E237 L238 D305 V313Q195-Y234 HydrophobicContact CG-CE1 4.49Å; V199-Y234 HydrophobicContact CG2-CE2 4.29Å; P232-Y234 PolarHBondContact O-N 3.45Å; P232-Y234 VanDerWaalsContact O-N 3.08Å; Y234-L236 VanDerWaalsContact C-N 3.32Å; Y234-L236 PolarHBondContact O-N 2.87Å; Y234-E237 PolarHBondContact O-N 3.08Å; Y234-L238 HydrophobicContact CD1-CD1 4.26Å; Y234-L238 HydrophobicContact CD2-CG 4.33Å; Y234-L238 HydrophobicContact CE1-CD1 3.8Å; Y234-L238 HydrophobicContact CE1-CG 4.33Å; Y234-L238 HydrophobicContact CE2-CD1 4.33Å; Y234-L238 HydrophobicContact CE2-CD2 3.96Å; Y234-L238 HydrophobicContact CE2-CG 3.97Å; Y234-L238 WeakPolarHBondContact O-CG 3.31Å; Y234-L238 PolarHBondContact O-N 3.21Å; Y234-D305 PolarHBondContact OH-OD1 3.38Å; Y234-V313 HydrophobicContact CD1-CG1 3.82Å; Y234-V313 HydrophobicContact CE1-CG1 3.94Å
235A97.3Very high96.2Very high0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-63.6-38.5175.500000112.1P231 P232 L233 L238 L239 V313 W319P231-A235 HydrophobicContact CB-CB 4.46Å; P232-A235 HydrophobicContact CG-CB 4.11Å; P232-A235 WeakPolarHBondContact O-CB 3.12Å; P232-A235 PolarHBondContact O-N 2.92Å; L233-A235 VanDerWaalsContact C-N 3.29Å; L233-A235 PolarHBondContact O-N 3.14Å; A235-L238 PolarHBondContact O-N 3.18Å; A235-L239 WeakPolarHBondContact O-CB 3.46Å; A235-L239 PolarHBondContact O-N 3.03Å; A235-V313 HydrophobicContact CB-CB 4.36Å; A235-V313 HydrophobicContact CB-CG2 3.71Å; A235-W319 HydrophobicContact CB-CH2 3.99Å; A235-W319 HydrophobicContact CB-CZ2 3.98Å
236L98Very high96.2Very high0 Ų034 Ų340%017%0.17CC..Hα-helixtrans-71.8-36.5176-70.2-59000111.3V213 Y217 P231 P232 L233 Y234 L239 T240 L267 W319V213-L236 HydrophobicContact CG1-CB 4.23Å; Y217-L236 HydrophobicContact CD2-CD2 4.25Å; Y217-L236 HydrophobicContact CD2-CG 4.11Å; Y217-L236 HydrophobicContact CE2-CD2 4Å; Y217-L236 HydrophobicContact CE2-CG 4.35Å; Y217-L236 HydrophobicContact CG-CG 4.42Å; P231-L236 HydrophobicContact CB-CD2 4.29Å; P231-L236 HydrophobicContact CG-CD2 4.08Å; P232-L236 WeakPolarHBondContact O-CD2 3.28Å; L233-L236 PolarHBondContact O-N 2.97Å; L233-L236 VanDerWaalsContact O-N 3.13Å; Y234-L236 VanDerWaalsContact C-N 3.32Å; Y234-L236 PolarHBondContact O-N 2.87Å; L236-L239 PolarHBondContact O-N 3.03Å; L236-T240 VanDerWaalsContact O-CB 3.32Å; L236-T240 WeakPolarHBondContact O-CB 3.37Å; L236-T240 PolarHBondContact O-N 3.15Å; L236-T240 PolarHBondContact O-OG1 3.09Å; L236-L267 HydrophobicContact CD1-CD1 4.13Å; L236-L267 HydrophobicContact CD1-CD2 3.66Å; L236-L267 HydrophobicContact CD1-CG 4.49Å; L236-W319 HydrophobicContact CD1-CZ3 4.29Å; L236-W319 HydrophobicContact CD2-CH2 4.46Å
237E97.9Very high96.3Very high8 Ų830.2 Ų30.24%0.03715%0.15CC..Hα-helixtrans-61.7-44.7173.1-69-173.4150.500110.7N72 T74 L210 K214 L233 Y234 T240 I241N72-E237 PolarHBondContact ND2-OE2 3.37Å; T74-E237 PolarHBondContact OG1-OE1 3.49Å; L210-E237 HydrophobicContact CD2-CB 3.83Å; L210-E237 HydrophobicContact CD2-CG 3.99Å; K214-E237 HydrophobicContact CD-CG 4.19Å; K214-E237 WeakPolarHBondContact CD-OE1 3.2Å; K214-E237 WeakPolarHBondContact CE-OE1 3.34Å; K214-E237 HydrophobicContact CG-CG 4.41Å; K214-E237 IonicContact NZ-OE1 3.59Å; K214-E237 PolarHBondContact NZ-OE1 3.43Å; L233-E237 PolarHBondContact O-N 2.86Å; Y234-E237 PolarHBondContact O-N 3.08Å; E237-T240 PolarHBondContact O-N 3.02Å; E237-I241 WeakPolarHBondContact O-CG1 3.49Å; E237-I241 PolarHBondContact O-N 2.68Å
238L98.4Very high96.4Very high0 Ų019.5 Ų19.50%011%0.112CC..Hα-helixtrans-65.8-43.5176.9-71.1-174.2000112.7F198 Y234 A235 T240 I241 Y242 W277 I303 P306 V313F198-L238 HydrophobicContact CD1-CD2 3.69Å; F198-L238 HydrophobicContact CE1-CD2 3.53Å; Y234-L238 HydrophobicContact CD1-CD1 4.26Å; Y234-L238 HydrophobicContact CD2-CG 4.33Å; Y234-L238 HydrophobicContact CE1-CD1 3.8Å; Y234-L238 HydrophobicContact CE1-CG 4.33Å; Y234-L238 HydrophobicContact CE2-CD1 4.33Å; Y234-L238 HydrophobicContact CE2-CD2 3.96Å; Y234-L238 HydrophobicContact CE2-CG 3.97Å; Y234-L238 WeakPolarHBondContact O-CG 3.31Å; Y234-L238 PolarHBondContact O-N 3.21Å; A235-L238 PolarHBondContact O-N 3.18Å; L238-T240 VanDerWaalsContact C-N 3.29Å; L238-T240 PolarHBondContact O-N 3.48Å; L238-I241 PolarHBondContact O-N 2.85Å; L238-Y242 WeakPolarHBondContact O-CB 3.24Å; L238-Y242 PolarHBondContact O-N 2.89Å; L238-W277 HydrophobicContact CB-CH2 3.87Å; L238-W277 HydrophobicContact CB-CZ3 4.31Å; L238-W277 HydrophobicContact CD1-CZ3 4.24Å; L238-W277 HydrophobicContact CD2-CH2 4.3Å; L238-W277 HydrophobicContact CD2-CZ3 4.39Å; L238-W277 HydrophobicContact CG-CH2 4.49Å; L238-I303 HydrophobicContact CB-CG2 3.85Å; L238-I303 HydrophobicContact CD1-CG2 3.98Å; L238-P306 HydrophobicContact CD2-CG 3.91Å; L238-V313 HydrophobicContact CD1-CG1 4.35Å; L238-V313 HydrophobicContact CD1-CG2 3.87Å
239L98.1Very high96.4Very high0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-61.3-39.4175.3-174.863.3000111.7A235 L236 Y242 A243 L266 L267 I273 I275 I303A235-L239 WeakPolarHBondContact O-CB 3.46Å; A235-L239 PolarHBondContact O-N 3.03Å; L236-L239 PolarHBondContact O-N 3.03Å; L239-Y242 PolarHBondContact O-N 2.99Å; L239-A243 WeakPolarHBondContact O-CB 3.33Å; L239-A243 PolarHBondContact O-N 3.18Å; L239-L266 HydrophobicContact CD1-CB 4.25Å; L239-L266 HydrophobicContact CD1-CD1 4.17Å; L239-L266 HydrophobicContact CD2-CB 4.3Å; L239-L266 HydrophobicContact CG-CB 4.46Å; L239-L266 HydrophobicContact CG-CD1 4.46Å; L239-L267 HydrophobicContact CD2-CD2 3.48Å; L239-L267 VanDerWaalsContact CD2-CD2 3.48Å; L239-L267 HydrophobicContact CD2-CG 3.88Å; L239-I273 HydrophobicContact CD1-CD1 3.92Å; L239-I273 HydrophobicContact CD2-CD1 4.35Å; L239-I275 HydrophobicContact CD1-CD1 3.56Å; L239-I303 HydrophobicContact CB-CD1 4.26Å; L239-I303 HydrophobicContact CD1-CD1 4.49Å
240T98.5Very high96.3Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-65.9-43.8177.1-56.60000111.6L206 L209 L210 V213 L236 E237 L238 Y242 A243 W244 V263L206-T240 HydrophobicContact CD1-CG2 4.33Å; L209-T240 HydrophobicContact CB-CG2 4.47Å; L209-T240 HydrophobicContact CD2-CG2 3.75Å; L209-T240 HydrophobicContact CG-CG2 3.67Å; L210-T240 HydrophobicContact CD2-CG2 3.81Å; L210-T240 HydrophobicContact CG-CG2 4.19Å; V213-T240 HydrophobicContact CG2-CG2 4.36Å; L236-T240 VanDerWaalsContact O-CB 3.32Å; L236-T240 WeakPolarHBondContact O-CB 3.37Å; L236-T240 PolarHBondContact O-N 3.15Å; L236-T240 PolarHBondContact O-OG1 3.09Å; E237-T240 PolarHBondContact O-N 3.02Å; L238-T240 VanDerWaalsContact C-N 3.29Å; L238-T240 PolarHBondContact O-N 3.48Å; T240-Y242 VanDerWaalsContact C-N 3.32Å; T240-A243 PolarHBondContact O-N 3.41Å; T240-W244 PolarHBondContact O-N 2.87Å; T240-W244 VanDerWaalsContact O-N 3.14Å; T240-V263 HydrophobicContact CG2-CG2 4.12Å
241I98.3Very high96.3Very high0 Ų029.8 Ų29.80%015%0.154CC..Hα-helixtrans-61.6-44.3175-70.5164.4000110F198 V199 L206 L210 E237 L238 A243 W244 E245F198-I241 HydrophobicContact CD1-CD1 3.96Å; F198-I241 HydrophobicContact CE1-CB 4.41Å; F198-I241 HydrophobicContact CE1-CD1 3.84Å; F198-I241 HydrophobicContact CE1-CG2 3.82Å; F198-I241 HydrophobicContact CZ-CG2 4.09Å; V199-I241 HydrophobicContact CB-CD1 4.46Å; V199-I241 HydrophobicContact CG1-CD1 4.45Å; V199-I241 HydrophobicContact CG2-CD1 3.97Å; L206-I241 HydrophobicContact CD2-CG1 4.18Å; L210-I241 HydrophobicContact CD2-CG1 4.43Å; E237-I241 WeakPolarHBondContact O-CG1 3.49Å; E237-I241 PolarHBondContact O-N 2.68Å; L238-I241 PolarHBondContact O-N 2.85Å; I241-A243 PolarHBondContact O-N 3.33Å; I241-W244 PolarHBondContact O-N 3.18Å; I241-E245 HydrophobicContact CG2-CG 4.09Å; I241-E245 WeakPolarHBondContact O-CB 3.23Å; I241-E245 WeakPolarHBondContact O-CG 3.4Å; I241-E245 PolarHBondContact O-N 2.78Å
242Y97.3Very high96.2Very high1 Ų135.7 Ų35.70%0.00418%0.181CC..Hα-helixtrans-60.3-45.1177.1-179-98.7000112.6L238 L239 T240 W244 E245 M246 I275 W277 V348 K349 R352L238-Y242 WeakPolarHBondContact O-CB 3.24Å; L238-Y242 PolarHBondContact O-N 2.89Å; L239-Y242 PolarHBondContact O-N 2.99Å; T240-Y242 VanDerWaalsContact C-N 3.32Å; Y242-W244 VanDerWaalsContact C-N 3.29Å; Y242-W244 PolarHBondContact O-N 3.16Å; Y242-E245 PolarHBondContact O-N 2.87Å; Y242-M246 HydrophobicContact CD1-CG 4.29Å; Y242-M246 HydrophobicContact CD2-CG 3.97Å; Y242-M246 HydrophobicContact CE1-CG 3.92Å; Y242-M246 HydrophobicContact CE2-CG 3.57Å; Y242-M246 HydrophobicContact CE2-SD 4.08Å; Y242-M246 HydrophobicContact CG-CG 4.32Å; Y242-M246 WeakPolarHBondContact O-CB 3.25Å; Y242-M246 WeakPolarHBondContact O-CG 3.42Å; Y242-M246 PolarHBondContact O-N 3.26Å; Y242-I275 HydrophobicContact CD1-CD1 3.46Å; Y242-I275 VanDerWaalsContact CD1-CD1 3.46Å; Y242-I275 HydrophobicContact CD1-CG1 3.91Å; Y242-I275 HydrophobicContact CD2-CB 4.31Å; Y242-I275 HydrophobicContact CD2-CD1 4.2Å; Y242-I275 HydrophobicContact CD2-CG1 4.01Å; Y242-I275 HydrophobicContact CD2-CG2 3.37Å; Y242-I275 HydrophobicContact CE1-CD1 3.88Å; Y242-I275 HydrophobicContact CE1-CG1 3.9Å; Y242-I275 HydrophobicContact CE2-CB 4.44Å; Y242-I275 HydrophobicContact CE2-CG1 3.99Å; Y242-I275 HydrophobicContact CE2-CG2 3.83Å; Y242-I275 HydrophobicContact CG-CD1 3.63Å; Y242-I275 HydrophobicContact CG-CG1 3.95Å; Y242-I275 HydrophobicContact CG-CG2 3.8Å; Y242-W277 HydrophobicContact CD2-CZ2 4.26Å; Y242-V348 HydrophobicContact CD1-CG1 4.08Å; Y242-V348 HydrophobicContact CE1-CG1 3.71Å; Y242-K349 WeakPolarHBondContact CE1-O 3.43Å; Y242-K349 VanDerWaalsContact CZ-O 3.31Å; Y242-K349 PolarHBondContact OH-O 2.99Å; Y242-R352 HydrophobicContact CE2-CG 4.19Å
243A97.3Very high96.2Very high0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-57.1-44.6178.100000111.6L239 T240 I241 G247 T262 V263 L266 V348L239-A243 WeakPolarHBondContact O-CB 3.33Å; L239-A243 PolarHBondContact O-N 3.18Å; T240-A243 PolarHBondContact O-N 3.41Å; I241-A243 PolarHBondContact O-N 3.33Å; A243-G247 WeakPolarHBondContact O-CA 3.32Å; A243-G247 PolarHBondContact O-N 3.15Å; A243-T262 HydrophobicContact CB-CG2 4.09Å; A243-V263 HydrophobicContact CB-CG2 4.02Å; A243-L266 HydrophobicContact CB-CD1 3.55Å; A243-V348 WeakPolarHBondContact O-CG2 3.49Å
244W98.1Very high96.4Very high4 Ų438 Ų382%0.01519%0.191CC..Hα-helixtrans-67.5-50.5176.2169.277.1000112.5P203 L206 T240 I241 Y242 M246 G247 T248 E250 D251 F254 W346P203-W244 HydrophobicContact CG-CH2 4.24Å; P203-W244 HydrophobicContact CG-CZ2 3.83Å; L206-W244 HydrophobicContact CD1-CB 3.62Å; L206-W244 HydrophobicContact CD1-CD2 4.12Å; L206-W244 HydrophobicContact CD1-CG 3.67Å; L206-W244 HydrophobicContact CD2-CB 4.42Å; L206-W244 HydrophobicContact CD2-CD2 3.52Å; L206-W244 HydrophobicContact CD2-CE3 3.39Å; L206-W244 HydrophobicContact CD2-CG 4Å; L206-W244 HydrophobicContact CD2-CH2 4.42Å; L206-W244 HydrophobicContact CD2-CZ3 3.89Å; L206-W244 HydrophobicContact CG-CD2 4.28Å; L206-W244 HydrophobicContact CG-CG 4.32Å; T240-W244 PolarHBondContact O-N 2.87Å; T240-W244 VanDerWaalsContact O-N 3.14Å; I241-W244 PolarHBondContact O-N 3.18Å; Y242-W244 VanDerWaalsContact C-N 3.29Å; Y242-W244 PolarHBondContact O-N 3.16Å; W244-M246 VanDerWaalsContact C-N 3.25Å; W244-M246 PolarHBondContact O-N 3.38Å; W244-G247 PolarHBondContact O-N 3.26Å; W244-T248 PolarHBondContact NE1-OG1 3.47Å; W244-T248 PolarHBondContact O-N 2.91Å; W244-T248 PolarHBondContact O-OG1 3.38Å; W244-E250 HydrophobicContact CE3-CG 4.49Å; W244-E250 HydrophobicContact CH2-CB 3.52Å; W244-E250 HydrophobicContact CH2-CG 3.82Å; W244-E250 VanDerWaalsContact CZ2-CA 3.41Å; W244-E250 HydrophobicContact CZ2-CB 3.9Å; W244-E250 WeakPolarHBondContact CZ2-O 3.49Å; W244-E250 HydrophobicContact CZ3-CB 4.03Å; W244-E250 HydrophobicContact CZ3-CG 3.78Å; W244-D251 PolarHBondContact NE1-O 2.85Å; W244-F254 AromaticContact CD1-CD1 3.54Å; W244-F254 AromaticContact CD1-CE1 3.47Å; W244-F254 VanDerWaalsContact CD1-CE1 3.47Å; W244-F254 AromaticContact NE1-CD1 3.54Å; W244-F254 AromaticContact NE1-CE1 3.52Å; W244-W346 HydrophobicContact CB-CZ3 4.07Å
245E96.1Very high96.4Very high12 Ų1240.8 Ų40.86%0.05621%0.207CC..Hα-helixtrans-54.5-43.2179.6-74.2-179.4166.600111.7R202 I241 Y242 E249 E250 W277 R352R202-E245 IonicContact CZ-OE1 2.74Å; R202-E245 IonicContact NH1-OE1 3.8Å; R202-E245 PolarHBondContact NH1-OE1 3.42Å; R202-E245 IonicContact NH2-OE1 3.42Å; R202-E245 PolarHBondContact NH2-OE1 3.5Å; I241-E245 HydrophobicContact CG2-CG 4.09Å; I241-E245 WeakPolarHBondContact O-CB 3.23Å; I241-E245 WeakPolarHBondContact O-CG 3.4Å; I241-E245 PolarHBondContact O-N 2.78Å; Y242-E245 PolarHBondContact O-N 2.87Å; E245-E249 WeakPolarHBondContact O-CA 3.41Å; E245-E249 PolarHBondContact O-N 3.34Å; E245-E250 HydrophobicContact CB-CG 4.25Å; E245-E250 HydrophobicContact CG-CG 4.01Å; E245-W277 PolarHBondContact OE2-NE1 3.14Å; E245-R352 IonicContact OE2-NH2 2.78Å; E245-R352 PolarHBondContact OE2-NH2 3.12Å
246M92.9Very high96.4Very high64 Ų6440.9 Ų40.932%0.31521%0.207SC..Hα-helixtrans-87.5-30.1-176.2-60.7-62.492.500113.7Y242 W244 V348Y242-M246 HydrophobicContact CD1-CG 4.29Å; Y242-M246 HydrophobicContact CD2-CG 3.97Å; Y242-M246 HydrophobicContact CE1-CG 3.92Å; Y242-M246 HydrophobicContact CE2-CG 3.57Å; Y242-M246 HydrophobicContact CE2-SD 4.08Å; Y242-M246 HydrophobicContact CG-CG 4.32Å; Y242-M246 WeakPolarHBondContact O-CB 3.25Å; Y242-M246 WeakPolarHBondContact O-CG 3.42Å; Y242-M246 PolarHBondContact O-N 3.26Å; W244-M246 VanDerWaalsContact C-N 3.25Å; W244-M246 PolarHBondContact O-N 3.38Å; M246-V348 HydrophobicContact CB-CG1 3.97Å
247G94.5Very high96.4Very high24 Ų2441.8 Ų41.825%0.24721%0.212CC..Hα-helixtrans-87-29.4-174.200000113.5A243 W244A243-G247 WeakPolarHBondContact O-CA 3.32Å; A243-G247 PolarHBondContact O-N 3.15Å; W244-G247 PolarHBondContact O-N 3.26Å
248T95.3Very high96.4Very high23 Ų2344.1 Ų44.114%0.14122%0.223CC..SBendtrans-121.34-176.576.80000113W244 E250 D251 F254 W346W244-T248 PolarHBondContact NE1-OG1 3.47Å; W244-T248 PolarHBondContact O-N 2.91Å; W244-T248 PolarHBondContact O-OG1 3.38Å; T248-E250 PolarHBondContact O-N 2.67Å; T248-D251 VanDerWaalsContact O-CB 3.24Å; T248-D251 WeakPolarHBondContact O-CB 3.49Å; T248-D251 PolarHBondContact O-N 3.01Å; T248-D251 PolarHBondContact OG1-N 2.78Å; T248-F254 HydrophobicContact CG2-CB 3.89Å; T248-F254 HydrophobicContact CG2-CG 4.39Å; T248-W346 HydrophobicContact CG2-CD2 3.7Å; T248-W346 VanDerWaalsContact CG2-CE2 3.5Å; T248-W346 HydrophobicContact CG2-CE3 3.84Å; T248-W346 HydrophobicContact CG2-CG 4.45Å; T248-W346 HydrophobicContact CG2-CH2 3.6Å; T248-W346 HydrophobicContact CG2-CZ2 3.47Å; T248-W346 VanDerWaalsContact CG2-CZ2 3.47Å; T248-W346 HydrophobicContact CG2-CZ3 3.81Å
249E93.7Very high96.4Very high179 Ų17944.1 Ų44.184%0.83622%0.223SC*.THydrogen-bonded Turntrans53.240.7-175.6-58.4-176.2-171.400112.6E245 D251E245-E249 WeakPolarHBondContact O-CA 3.41Å; E245-E249 PolarHBondContact O-N 3.34Å; E249-D251 VanDerWaalsContact C-N 3.27Å; E249-D251 PolarHBondContact O-N 2.89Å
250E93.3Very high96.4Very high106 Ų10644.1 Ų44.150%0.49522%0.223SC..THydrogen-bonded Turntrans64.322.3-177.5-56.5-169.9-117.500115R202 W244 E245 T248 E252R202-E250 IonicContact NH1-OE2 2.8Å; R202-E250 PolarHBondContact NH1-OE2 2.82Å; R202-E250 VanDerWaalsContact NH1-OE2 3.14Å; W244-E250 HydrophobicContact CE3-CG 4.49Å; W244-E250 HydrophobicContact CH2-CB 3.52Å; W244-E250 HydrophobicContact CH2-CG 3.82Å; W244-E250 VanDerWaalsContact CZ2-CA 3.41Å; W244-E250 HydrophobicContact CZ2-CB 3.9Å; W244-E250 WeakPolarHBondContact CZ2-O 3.49Å; W244-E250 HydrophobicContact CZ3-CB 4.03Å; W244-E250 HydrophobicContact CZ3-CG 3.78Å; E245-E250 HydrophobicContact CB-CG 4.25Å; E245-E250 HydrophobicContact CG-CG 4.01Å; T248-E250 PolarHBondContact O-N 2.67Å; E250-E252 PolarHBondContact O-N 3.28Å
251D95.6Very high96.4Very high78 Ų7844.3 Ų44.342%0.41722%0.224SC..  trans-61.9131.7174-165.6-10.4000112.4W244 T248 E249 N253W244-D251 PolarHBondContact NE1-O 2.85Å; T248-D251 VanDerWaalsContact O-CB 3.24Å; T248-D251 WeakPolarHBondContact O-CB 3.49Å; T248-D251 PolarHBondContact O-N 3.01Å; T248-D251 PolarHBondContact OG1-N 2.78Å; E249-D251 VanDerWaalsContact C-N 3.27Å; E249-D251 PolarHBondContact O-N 2.89Å; D251-N253 PolarHBondContact O-N 3.24Å; D251-N253 PolarHBondContact OD1-N 3.38Å
252E95.4Very high96.4Very high127 Ų12744.4 Ų44.459%0.59323%0.225SC*.SBendtrans-70.3-24.5175.2-55.5-164.915700112.2P203 E250P203-E252 HydrophobicContact CB-CB 4.23Å; P203-E252 HydrophobicContact CB-CG 4.12Å; P203-E252 HydrophobicContact CG-CB 4.38Å; P203-E252 HydrophobicContact CG-CG 3.83Å; E250-E252 PolarHBondContact O-N 3.28Å
253N95.2Very high96.4Very high126 Ų12644.3 Ų44.367%0.67422%0.224SC*.  trans-107.791.8-175.2-65.1-46.4000111.5D251D251-N253 PolarHBondContact O-N 3.24Å; D251-N253 PolarHBondContact OD1-N 3.38Å
254F97.1Very high96.4Very high10 Ų1044.3 Ų44.34%0.04422%0.224CC..  trans-131.8166.1176.164.9-93.3000111.9K205 L206 L209 W244 T248 W346K205-F254 HydrophobicContact CB-CE1 4Å; K205-F254 HydrophobicContact CB-CZ 4.17Å; K205-F254 WeakPolarHBondContact CD-O 3.46Å; K205-F254 WeakPolarHBondContact CE-O 3.35Å; K205-F254 HydrophobicContact CG-CE1 4.25Å; K205-F254 HydrophobicContact CG-CE2 4.45Å; K205-F254 HydrophobicContact CG-CZ 4.09Å; K205-F254 PolarHBondContact NZ-O 2.76Å; L206-F254 HydrophobicContact CB-CE1 4.27Å; L206-F254 HydrophobicContact CB-CZ 4.33Å; L206-F254 HydrophobicContact CD1-CZ 4.41Å; L209-F254 HydrophobicContact CB-CE2 4.33Å; L209-F254 HydrophobicContact CB-CZ 4.3Å; L209-F254 HydrophobicContact CD2-CE2 4.06Å; L209-F254 HydrophobicContact CD2-CZ 4.36Å; W244-F254 AromaticContact CD1-CD1 3.54Å; W244-F254 AromaticContact CD1-CE1 3.47Å; W244-F254 VanDerWaalsContact CD1-CE1 3.47Å; W244-F254 AromaticContact NE1-CD1 3.54Å; W244-F254 AromaticContact NE1-CE1 3.52Å; T248-F254 HydrophobicContact CG2-CB 3.89Å; T248-F254 HydrophobicContact CG2-CG 4.39Å; F254-W346 HydrophobicContact CB-CH2 4.36Å; F254-W346 HydrophobicContact CB-CZ2 3.81Å; F254-W346 AromaticContact CD2-CH2 3.52Å; F254-W346 HydrophobicContact CD2-CH2 3.52Å; F254-W346 AromaticContact CD2-CZ2 3.46Å; F254-W346 HydrophobicContact CD2-CZ2 3.46Å; F254-W346 VanDerWaalsContact CD2-CZ2 3.46Å; F254-W346 AromaticContact CE2-CH2 3.92Å; F254-W346 HydrophobicContact CE2-CH2 3.92Å; F254-W346 HydrophobicContact CE2-CZ2 4.28Å; F254-W346 AromaticContact CG-CH2 3.96Å; F254-W346 HydrophobicContact CG-CH2 3.96Å; F254-W346 AromaticContact CG-CZ2 3.85Å; F254-W346 HydrophobicContact CG-CZ2 3.85Å
255M96.9Very high96.4Very high95 Ų9546.2 Ų46.247%0.46824%0.235SC..  trans-85.5126.3178.1-64.1-60.4-69.800110.8D257 E258 G259M255-D257 VanDerWaalsContact C-N 3.35Å; M255-D257 VanDerWaalsContact CB-OD1 3.32Å; M255-D257 WeakPolarHBondContact CB-OD1 3.31Å; M255-D257 PolarHBondContact O-N 2.68Å; M255-E258 HydrophobicContact CB-CB 4.18Å; M255-E258 HydrophobicContact CB-CG 3.79Å; M255-E258 PolarHBondContact O-N 3.37Å; M255-G259 PolarHBondContact O-N 2.95Å; M255-G259 VanDerWaalsContact O-N 3.1Å
256L97.2Very high96.4Very high1 Ų145.7 Ų45.71%0.00523%0.232CC..Hα-helixtrans-68.3-35.2-169.9-17565.9000112.7L15 D16 V19 L209 L212 F260L15-L256 HydrophobicContact CB-CD2 3.88Å; L15-L256 HydrophobicContact CB-CG 4.35Å; D16-L256 HydrophobicContact CB-CD2 4.48Å; V19-L256 HydrophobicContact CG2-CD2 3.81Å; L209-L256 HydrophobicContact CB-CD1 3.62Å; L209-L256 HydrophobicContact CD1-CD1 3.94Å; L209-L256 HydrophobicContact CG-CD1 4.35Å; L212-L256 HydrophobicContact CD2-CD2 4.21Å; L212-L256 HydrophobicContact CD2-CG 4.11Å; L256-F260 VanDerWaalsContact O-CB 3.31Å; L256-F260 WeakPolarHBondContact O-CB 3.44Å; L256-F260 PolarHBondContact O-N 3.5Å
257D97.4Very high96.6Very high19 Ų1942.6 Ų42.610%0.10222%0.217CC..Hα-helixtrans-66.1-44.9174.951.5-10.2000112.7A12 L15 M255 G259 F260 T261 V343A12-D257 HydrophobicContact CB-CB 3.68Å; L15-D257 HydrophobicContact CD1-CB 3.89Å; M255-D257 VanDerWaalsContact C-N 3.35Å; M255-D257 VanDerWaalsContact CB-OD1 3.32Å; M255-D257 WeakPolarHBondContact CB-OD1 3.31Å; M255-D257 PolarHBondContact O-N 2.68Å; D257-G259 VanDerWaalsContact C-N 3.33Å; D257-G259 PolarHBondContact O-N 3.23Å; D257-F260 PolarHBondContact O-N 2.9Å; D257-T261 WeakPolarHBondContact O-CB 3.33Å; D257-T261 PolarHBondContact O-N 2.98Å; D257-T261 PolarHBondContact O-OG1 3.42Å; D257-V343 HydrophobicContact CB-CG1 4.13Å; D257-V343 HydrophobicContact CB-CG2 4.34Å
258E97.8Very high96.6Very high57 Ų5745 Ų4527%0.26622%0.222SC..Hα-helixtrans-60-45.7173.6-62.5178.8-167.400110.6M255 F260 T261 T262 V343 T344 W346M255-E258 HydrophobicContact CB-CB 4.18Å; M255-E258 HydrophobicContact CB-CG 3.79Å; M255-E258 PolarHBondContact O-N 3.37Å; E258-F260 PolarHBondContact O-N 3.31Å; E258-T261 PolarHBondContact O-N 2.67Å; E258-T262 VanDerWaalsContact O-CB 3.32Å; E258-T262 WeakPolarHBondContact O-CB 3.47Å; E258-T262 PolarHBondContact O-N 2.74Å; E258-T262 PolarHBondContact O-OG1 3.29Å; E258-V343 HydrophobicContact CB-CG1 4.43Å; E258-V343 HydrophobicContact CG-CG1 3.96Å; E258-T344 WeakPolarHBondContact CG-O 3.4Å; E258-W346 HydrophobicContact CB-CZ2 4.44Å; E258-W346 PolarHBondContact OE2-NE1 2.76Å
259G98.1Very high96.3Very high0 Ų047.8 Ų47.80%023%0.233CC..Hα-helixtrans-63.4-41.3177.600000113M255 D257 T262 V263M255-G259 PolarHBondContact O-N 2.95Å; M255-G259 VanDerWaalsContact O-N 3.1Å; D257-G259 VanDerWaalsContact C-N 3.33Å; D257-G259 PolarHBondContact O-N 3.23Å; G259-T262 PolarHBondContact O-N 2.8Å; G259-V263 WeakPolarHBondContact O-CG2 3.25Å; G259-V263 PolarHBondContact O-N 3.07Å; G259-V263 VanDerWaalsContact O-N 3.12Å
260F98.6Very high96.3Very high0 Ų042.2 Ų42.20%021%0.205CC..Hα-helixtrans-65.6-46177-178-107.8000111.8L7 L209 L212 V213 W216 L256 D257 E258 T262 V263 M264 C329L7-F260 HydrophobicContact CD2-CE2 4.44Å; L7-F260 HydrophobicContact CD2-CZ 3.91Å; L209-F260 HydrophobicContact CD1-CB 3.97Å; L212-F260 HydrophobicContact CD2-CB 3.92Å; L212-F260 HydrophobicContact CD2-CD2 3.63Å; L212-F260 HydrophobicContact CD2-CE2 4.28Å; L212-F260 HydrophobicContact CD2-CG 3.79Å; L212-F260 HydrophobicContact CG-CD2 3.71Å; L212-F260 HydrophobicContact CG-CE2 3.93Å; L212-F260 HydrophobicContact CG-CG 4.34Å; V213-F260 HydrophobicContact CG2-CD2 4.09Å; V213-F260 HydrophobicContact CG2-CE2 4.47Å; W216-F260 HydrophobicContact CB-CE2 4Å; W216-F260 HydrophobicContact CB-CZ 4.15Å; W216-F260 HydrophobicContact CG-CE2 4.28Å; W216-F260 HydrophobicContact CG-CZ 4.11Å; L256-F260 VanDerWaalsContact O-CB 3.31Å; L256-F260 WeakPolarHBondContact O-CB 3.44Å; L256-F260 PolarHBondContact O-N 3.5Å; D257-F260 PolarHBondContact O-N 2.9Å; E258-F260 PolarHBondContact O-N 3.31Å; F260-T262 VanDerWaalsContact C-N 3.32Å; F260-T262 PolarHBondContact O-N 3.3Å; F260-V263 PolarHBondContact O-N 3.43Å; F260-M264 HydrophobicContact CD2-CE 4Å; F260-M264 HydrophobicContact CE1-CE 4.33Å; F260-M264 HydrophobicContact CE1-CG 4.24Å; F260-M264 HydrophobicContact CE2-CE 3.35Å; F260-M264 HydrophobicContact CZ-CE 3.54Å; F260-M264 HydrophobicContact CZ-CG 4.34Å; F260-M264 HydrophobicContact CZ-SD 4.43Å; F260-M264 WeakPolarHBondContact O-CG 3.39Å; F260-M264 PolarHBondContact O-N 3.48Å; F260-C329 VanDerWaalsContact CE1-SG 3.59Å
261T97.9Very high96.2Very high5 Ų541.7 Ų41.73%0.03121%0.206CC..Hα-helixtrans-62-41.9177.3-53.20000110.8D257 E258 V263 M264 D265 L330 S345D257-T261 WeakPolarHBondContact O-CB 3.33Å; D257-T261 PolarHBondContact O-N 2.98Å; D257-T261 PolarHBondContact O-OG1 3.42Å; E258-T261 PolarHBondContact O-N 2.67Å; T261-V263 VanDerWaalsContact C-N 3.34Å; T261-V263 PolarHBondContact O-N 3Å; T261-M264 WeakPolarHBondContact O-CB 3.45Å; T261-M264 PolarHBondContact O-N 3.34Å; T261-M264 VanDerWaalsContact O-N 3.1Å; T261-D265 PolarHBondContact O-N 3.22Å; T261-L330 HydrophobicContact CG2-CD2 3.5Å; T261-L330 VanDerWaalsContact CG2-CD2 3.5Å; T261-S345 WeakPolarHBondContact CG2-OG 3.48Å
262T98.2Very high95.9Very high1 Ų140.2 Ų40.21%0.00620%0.199CC..Hα-helixtrans-58.4-43.4175.5-570000112.3A243 E258 G259 F260 D265 L266 S345 W346 V348A243-T262 HydrophobicContact CB-CG2 4.09Å; E258-T262 VanDerWaalsContact O-CB 3.32Å; E258-T262 WeakPolarHBondContact O-CB 3.47Å; E258-T262 PolarHBondContact O-N 2.74Å; E258-T262 PolarHBondContact O-OG1 3.29Å; G259-T262 PolarHBondContact O-N 2.8Å; F260-T262 VanDerWaalsContact C-N 3.32Å; F260-T262 PolarHBondContact O-N 3.3Å; T262-D265 PolarHBondContact O-N 3.3Å; T262-L266 HydrophobicContact CG2-CD1 4.34Å; T262-L266 WeakPolarHBondContact O-CG 3.35Å; T262-L266 PolarHBondContact O-N 2.93Å; T262-S345 PolarHBondContact N-OG 3.32Å; T262-S345 WeakPolarHBondContact OG1-CA 3.36Å; T262-W346 HydrophobicContact CG2-CB 4.07Å; T262-W346 HydrophobicContact CG2-CE3 4.06Å; T262-W346 PolarHBondContact OG1-N 2.96Å; T262-V348 HydrophobicContact CG2-CB 4.33Å; T262-V348 HydrophobicContact CG2-CG2 3.52Å
263V98.3Very high95.7Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-64.8-41.7176.3173.20000110.9V213 T240 A243 G259 F260 T261 D265 L266 L267V213-V263 HydrophobicContact CG1-CG1 4.1Å; V213-V263 HydrophobicContact CG2-CB 4.29Å; V213-V263 HydrophobicContact CG2-CG1 4Å; V213-V263 HydrophobicContact CG2-CG2 4.33Å; T240-V263 HydrophobicContact CG2-CG2 4.12Å; A243-V263 HydrophobicContact CB-CG2 4.02Å; G259-V263 WeakPolarHBondContact O-CG2 3.25Å; G259-V263 PolarHBondContact O-N 3.07Å; G259-V263 VanDerWaalsContact O-N 3.12Å; F260-V263 PolarHBondContact O-N 3.43Å; T261-V263 VanDerWaalsContact C-N 3.34Å; T261-V263 PolarHBondContact O-N 3Å; V263-D265 VanDerWaalsContact C-N 3.34Å; V263-D265 PolarHBondContact O-N 3.37Å; V263-L266 PolarHBondContact O-N 3.09Å; V263-L267 HydrophobicContact CG1-CD1 4.13Å; V263-L267 VanDerWaalsContact O-CG 3.25Å; V263-L267 WeakPolarHBondContact O-CG 3.22Å; V263-L267 PolarHBondContact O-N 3.28Å
264M98Very high95.5Very high0 Ų028.3 Ų28.30%014%0.14CC..Hα-helixtrans-63-39.7176.4-64.2-56.1136.300112.2W216 F260 T261 L267 Q268 A326 C329 L330W216-M264 HydrophobicContact CD2-CE 3.42Å; W216-M264 VanDerWaalsContact CD2-CE 3.42Å; W216-M264 HydrophobicContact CD2-SD 3.99Å; W216-M264 VanDerWaalsContact CE2-SD 3.58Å; W216-M264 HydrophobicContact CE3-CE 3.54Å; W216-M264 HydrophobicContact CE3-SD 4.29Å; W216-M264 HydrophobicContact CG-CE 3.86Å; W216-M264 HydrophobicContact CH2-CE 4.2Å; W216-M264 HydrophobicContact CH2-SD 3.91Å; W216-M264 HydrophobicContact CZ2-CE 4.1Å; W216-M264 HydrophobicContact CZ2-SD 3.56Å; W216-M264 VanDerWaalsContact CZ2-SD 3.56Å; W216-M264 HydrophobicContact CZ3-CE 3.93Å; W216-M264 HydrophobicContact CZ3-SD 4.26Å; F260-M264 HydrophobicContact CD2-CE 4Å; F260-M264 HydrophobicContact CE1-CE 4.33Å; F260-M264 HydrophobicContact CE1-CG 4.24Å; F260-M264 HydrophobicContact CE2-CE 3.35Å; F260-M264 HydrophobicContact CZ-CE 3.54Å; F260-M264 HydrophobicContact CZ-CG 4.34Å; F260-M264 HydrophobicContact CZ-SD 4.43Å; F260-M264 WeakPolarHBondContact O-CG 3.39Å; F260-M264 PolarHBondContact O-N 3.48Å; T261-M264 WeakPolarHBondContact O-CB 3.45Å; T261-M264 PolarHBondContact O-N 3.34Å; T261-M264 VanDerWaalsContact O-N 3.1Å; M264-L267 HydrophobicContact CE-CD1 4.45Å; M264-L267 PolarHBondContact O-N 3.12Å; M264-L267 HydrophobicContact SD-CD1 4.22Å; M264-Q268 PolarHBondContact O-N 2.88Å; M264-A326 HydrophobicContact CB-CB 4.34Å; M264-A326 HydrophobicContact SD-CB 3.93Å; M264-C329 HydrophobicContact CG-CB 4.35Å; M264-C329 HydrophobicContact SD-CB 4.07Å; M264-L330 HydrophobicContact CB-CD1 3.98Å; M264-L330 HydrophobicContact CB-CD2 3.7Å; M264-L330 HydrophobicContact CB-CG 3.68Å
265D96.2Very high95.2Very high43 Ų4327.9 Ų27.923%0.2314%0.138CC..Hα-helixtrans-64.2-44.9175.5-79.4-16.1000112.4T261 T262 V263 L267 Q268 L330 S345T261-D265 PolarHBondContact O-N 3.22Å; T262-D265 PolarHBondContact O-N 3.3Å; V263-D265 VanDerWaalsContact C-N 3.34Å; V263-D265 PolarHBondContact O-N 3.37Å; D265-L267 PolarHBondContact O-N 3.27Å; D265-Q268 WeakPolarHBondContact O-CB 3.35Å; D265-Q268 PolarHBondContact O-N 3.1Å; D265-Q268 VanDerWaalsContact O-N 3.12Å; D265-Q268 PolarHBondContact OD1-NE2 3.07Å; D265-L330 VanDerWaalsContact OD1-CD1 3.24Å; D265-L330 WeakPolarHBondContact OD1-CD1 3.41Å; D265-S345 VanDerWaalsContact OD2-CB 3.23Å; D265-S345 WeakPolarHBondContact OD2-CB 3.21Å; D265-S345 PolarHBondContact OD2-OG 3.2Å
266L96.2Very high95.1Very high1 Ų124.4 Ų24.41%0.00512%0.12CC..Hα-helixtrans-58.2-38.3175.1-73.9167.7000111.9L239 A243 T262 V263 Q268 E269 V348 R350L239-L266 HydrophobicContact CD1-CB 4.25Å; L239-L266 HydrophobicContact CD1-CD1 4.17Å; L239-L266 HydrophobicContact CD2-CB 4.3Å; L239-L266 HydrophobicContact CG-CB 4.46Å; L239-L266 HydrophobicContact CG-CD1 4.46Å; A243-L266 HydrophobicContact CB-CD1 3.55Å; T262-L266 HydrophobicContact CG2-CD1 4.34Å; T262-L266 WeakPolarHBondContact O-CG 3.35Å; T262-L266 PolarHBondContact O-N 2.93Å; V263-L266 PolarHBondContact O-N 3.09Å; L266-Q268 VanDerWaalsContact C-N 3.3Å; L266-Q268 PolarHBondContact O-N 3.1Å; L266-E269 CarbonylContact O-C 3.58Å; L266-E269 PolarHBondContact O-N 3.39Å; L266-V348 HydrophobicContact CD1-CG1 4.14Å; L266-V348 HydrophobicContact CD2-CB 4.5Å; L266-V348 HydrophobicContact CD2-CG1 4.04Å; L266-R350 VanDerWaalsContact CD2-CD 3.47Å; L266-R350 VanDerWaalsContact CD2-NH1 3.3Å
267L97.2Very high94.9Very high0 Ų024.6 Ų24.60%012%0.12CC..Hα-helixtrans-68-26.4178.8-71.1170.6000113.6W216 L236 L239 V263 M264 D265 W319 V322 A323 A326W216-L267 HydrophobicContact CH2-CD1 3.65Å; W216-L267 HydrophobicContact CZ3-CD1 3.66Å; L236-L267 HydrophobicContact CD1-CD1 4.13Å; L236-L267 HydrophobicContact CD1-CD2 3.66Å; L236-L267 HydrophobicContact CD1-CG 4.49Å; L239-L267 HydrophobicContact CD2-CD2 3.48Å; L239-L267 VanDerWaalsContact CD2-CD2 3.48Å; L239-L267 HydrophobicContact CD2-CG 3.88Å; V263-L267 HydrophobicContact CG1-CD1 4.13Å; V263-L267 VanDerWaalsContact O-CG 3.25Å; V263-L267 WeakPolarHBondContact O-CG 3.22Å; V263-L267 PolarHBondContact O-N 3.28Å; M264-L267 HydrophobicContact CE-CD1 4.45Å; M264-L267 PolarHBondContact O-N 3.12Å; M264-L267 HydrophobicContact SD-CD1 4.22Å; D265-L267 PolarHBondContact O-N 3.27Å; L267-W319 HydrophobicContact CD2-CE3 4.09Å; L267-W319 HydrophobicContact CD2-CZ3 3.58Å; L267-V322 HydrophobicContact CD1-CG1 4.14Å; L267-V322 HydrophobicContact CD2-CG1 3.9Å; L267-V322 HydrophobicContact CG-CG1 4.48Å; L267-A323 WeakPolarHBondContact O-CA 3.3Å; L267-A323 WeakPolarHBondContact O-CB 3.42Å; L267-A326 HydrophobicContact CB-CB 3.7Å; L267-A326 HydrophobicContact CD1-CB 4.27Å
268Q95.1Very high94.6Very high74 Ų7426.4 Ų26.435%0.34613%0.132SC..Hα-helixtrans-68.6-36.7174.9-67.7-173.197.400111.9M264 D265 L266 A326 C327 L330M264-Q268 PolarHBondContact O-N 2.88Å; D265-Q268 WeakPolarHBondContact O-CB 3.35Å; D265-Q268 PolarHBondContact O-N 3.1Å; D265-Q268 VanDerWaalsContact O-N 3.12Å; D265-Q268 PolarHBondContact OD1-NE2 3.07Å; L266-Q268 VanDerWaalsContact C-N 3.3Å; L266-Q268 PolarHBondContact O-N 3.1Å; Q268-A326 HydrophobicContact CG-CB 4.46Å; Q268-C327 HydrophobicContact CG-CB 4.34Å; Q268-C327 PolarHBondContact OE1-SG 3.34Å; Q268-L330 HydrophobicContact CG-CD1 4.21Å
269E89.9Confident94.4Very high82 Ų8228.8 Ų28.838%0.38314%0.142SC..THydrogen-bonded Turntrans-101.539.7-177.9-64.4177.6-111.300111.8L266 D271 V272 R350L266-E269 CarbonylContact O-C 3.58Å; L266-E269 PolarHBondContact O-N 3.39Å; E269-D271 PolarHBondContact O-N 3.1Å; E269-V272 HydrophobicContact CB-CG2 3.92Å; E269-V272 WeakPolarHBondContact O-CG2 3.38Å; E269-V272 PolarHBondContact O-N 2.99Å; E269-R350 IonicContact OE1-CZ 3.68Å; E269-R350 IonicContact OE1-NE 3.4Å; E269-R350 IonicContact OE1-NH2 3.14Å; E269-R350 PolarHBondContact OE1-NH2 3.07Å; E269-R350 IonicContact OE2-NE 3.72Å
270Y93.8Very high94.3Very high61 Ų6128.9 Ų28.924%0.23914%0.142CC..G310 helixtrans-61.8-27.7-175.370.5-88.4000113.1V272 I273 P301 W319 A323Y270-V272 PolarHBondContact O-N 3.02Å; Y270-I273 WeakPolarHBondContact O-CB 3.14Å; Y270-I273 PolarHBondContact O-N 3.5Å; Y270-P301 HydrophobicContact CD2-CG 4.19Å; Y270-P301 WeakPolarHBondContact O-CB 3.42Å; Y270-W319 HydrophobicContact CD1-CB 4.24Å; Y270-W319 HydrophobicContact CD2-CB 3.35Å; Y270-W319 HydrophobicContact CD2-CG 4.11Å; Y270-W319 HydrophobicContact CE1-CB 4.45Å; Y270-W319 HydrophobicContact CE2-CB 3.62Å; Y270-W319 HydrophobicContact CG-CB 3.68Å; Y270-W319 HydrophobicContact CG-CG 4.49Å; Y270-A323 HydrophobicContact CD1-CB 3.62Å; Y270-A323 HydrophobicContact CE1-CB 3.72Å
271D90.9Very high94Very high95 Ų9529 Ų2951%0.50814%0.143SC..G310 helixtrans-68.2-12.6-178.667.5-28.7000113.7E269 R300E269-D271 PolarHBondContact O-N 3.1Å; D271-R300 WeakPolarHBondContact O-CB 3.39Å; D271-R300 WeakPolarHBondContact O-CD 3.41Å
272V87.6Confident93.7Very high47 Ų4730.3 Ų30.329%0.28515%0.15SC..G310 helixtrans-109.3-2.3174.4-63.70000113.9E269 Y270 C274 R300 R350E269-V272 HydrophobicContact CB-CG2 3.92Å; E269-V272 WeakPolarHBondContact O-CG2 3.38Å; E269-V272 PolarHBondContact O-N 2.99Å; Y270-V272 PolarHBondContact O-N 3.02Å; V272-C274 PolarHBondContact O-N 2.96Å; V272-R300 PolarHBondContact O-NH1 2.9Å; V272-R350 HydrophobicContact CG2-CB 4.24Å; V272-R350 HydrophobicContact CG2-CG 4.11Å
273I91.5Very high93.2Very high1 Ų132 Ų321%0.00516%0.159CC..  trans-65.6126.2-178.7-67.4179.3000111.2L239 Y270 I275 P301 I302 I303L239-I273 HydrophobicContact CD1-CD1 3.92Å; L239-I273 HydrophobicContact CD2-CD1 4.35Å; Y270-I273 WeakPolarHBondContact O-CB 3.14Å; Y270-I273 PolarHBondContact O-N 3.5Å; I273-I275 HydrophobicContact CG2-CD1 3.55Å; I273-I275 HydrophobicContact CG2-CG1 3.8Å; I273-P301 HydrophobicContact CB-CB 4.09Å; I273-P301 HydrophobicContact CG2-CB 4.39Å; I273-I302 PolarHBondContact O-N 3.25Å; I273-I303 HydrophobicContact CG2-CD1 4.4Å; I273-I303 HydrophobicContact CG2-CG1 3.89Å
274C91.4Very high92.8Very high2 Ų240.6 Ų40.61%0.01420%0.2CC..EExtended strand (participates in β ladder)trans-144.491.1173-178.10000110.5V272 I302 R350 A351 Y373V272-C274 PolarHBondContact O-N 2.96Å; C274-I302 CarbonylContact C-O 3.5Å; C274-I302 WeakPolarHBondContact CA-O 3.49Å; C274-R350 PolarHBondContact N-O 3.11Å; C274-A351 HydrophobicContact CB-CB 4.2Å; C274-Y373 WeakPolarHBondContact CB-OH 3.41Å
275I92.1Very high92.5Very high1 Ų142.8 Ų42.81%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-118.8135.1-171.6-59.1167.2000109.6L239 Y242 I273 W277 I302 I303 L304L239-I275 HydrophobicContact CD1-CD1 3.56Å; Y242-I275 HydrophobicContact CD1-CD1 3.46Å; Y242-I275 VanDerWaalsContact CD1-CD1 3.46Å; Y242-I275 HydrophobicContact CD1-CG1 3.91Å; Y242-I275 HydrophobicContact CD2-CB 4.31Å; Y242-I275 HydrophobicContact CD2-CD1 4.2Å; Y242-I275 HydrophobicContact CD2-CG1 4.01Å; Y242-I275 HydrophobicContact CD2-CG2 3.37Å; Y242-I275 HydrophobicContact CE1-CD1 3.88Å; Y242-I275 HydrophobicContact CE1-CG1 3.9Å; Y242-I275 HydrophobicContact CE2-CB 4.44Å; Y242-I275 HydrophobicContact CE2-CG1 3.99Å; Y242-I275 HydrophobicContact CE2-CG2 3.83Å; Y242-I275 HydrophobicContact CG-CD1 3.63Å; Y242-I275 HydrophobicContact CG-CG1 3.95Å; Y242-I275 HydrophobicContact CG-CG2 3.8Å; I273-I275 HydrophobicContact CG2-CD1 3.55Å; I273-I275 HydrophobicContact CG2-CG1 3.8Å; I275-W277 HydrophobicContact CG2-CE3 4.21Å; I275-W277 HydrophobicContact CG2-CH2 3.29Å; I275-W277 HydrophobicContact CG2-CZ2 3.69Å; I275-W277 HydrophobicContact CG2-CZ3 3.59Å; I275-I302 PolarHBondContact N-O 2.64Å; I275-I303 HydrophobicContact CD1-CG1 4.43Å; I275-I303 WeakPolarHBondContact O-CA 3.34Å; I275-L304 PolarHBondContact O-N 2.77Å
276Y93Very high92.1Very high22 Ų2244 Ų449%0.08623%0.228CC..  trans-152.2163.2169.269.4-82.1000109.8T278 L296 R352 F419Y276-T278 HydrophobicContact CD2-CG2 4.25Å; Y276-T278 HydrophobicContact CE2-CG2 3.97Å; Y276-L296 HydrophobicContact CD1-CD1 3.95Å; Y276-L296 HydrophobicContact CD1-CD2 3.83Å; Y276-L296 HydrophobicContact CE1-CD1 3.87Å; Y276-L296 HydrophobicContact CE1-CD2 4.5Å; Y276-L296 HydrophobicContact CG-CD1 4.48Å; Y276-L296 HydrophobicContact CG-CD2 4.31Å; Y276-R352 PolarHBondContact O-NE 3.33Å; Y276-F419 PolarHBondContact OH-O 2.92Å
277W93.9Very high92Very high5 Ų547.3 Ų47.32%0.01925%0.245CC..  trans-125.7149.9174.7-64.8-98.9000110F198 L238 Y242 E245 I275 K279 Y281 I303 L304 P306F198-W277 HydrophobicContact CE1-CZ2 4.48Å; F198-W277 HydrophobicContact CE2-CG 4.18Å; F198-W277 AromaticContact CZ-CD1 3.73Å; F198-W277 AromaticContact CZ-CD2 3.94Å; F198-W277 HydrophobicContact CZ-CD2 3.94Å; F198-W277 AromaticContact CZ-CE2 3.69Å; F198-W277 AromaticContact CZ-CG 3.99Å; F198-W277 HydrophobicContact CZ-CG 3.99Å; F198-W277 HydrophobicContact CZ-CZ2 4.23Å; F198-W277 AromaticContact CZ-NE1 3.58Å; L238-W277 HydrophobicContact CB-CH2 3.87Å; L238-W277 HydrophobicContact CB-CZ3 4.31Å; L238-W277 HydrophobicContact CD1-CZ3 4.24Å; L238-W277 HydrophobicContact CD2-CH2 4.3Å; L238-W277 HydrophobicContact CD2-CZ3 4.39Å; L238-W277 HydrophobicContact CG-CH2 4.49Å; Y242-W277 HydrophobicContact CD2-CZ2 4.26Å; E245-W277 PolarHBondContact OE2-NE1 3.14Å; I275-W277 HydrophobicContact CG2-CE3 4.21Å; I275-W277 HydrophobicContact CG2-CH2 3.29Å; I275-W277 HydrophobicContact CG2-CZ2 3.69Å; I275-W277 HydrophobicContact CG2-CZ3 3.59Å; W277-K279 HydrophobicContact CB-CB 4.42Å; W277-Y281 WeakPolarHBondContact O-CE2 3.46Å; W277-Y281 PolarHBondContact O-OH 3Å; W277-I303 HydrophobicContact CH2-CG2 4.31Å; W277-I303 HydrophobicContact CZ3-CG2 4.14Å; W277-L304 WeakPolarHBondContact CZ3-O 3.33Å; W277-P306 HydrophobicContact CB-CB 3.94Å; W277-P306 HydrophobicContact CD2-CB 4.28Å; W277-P306 HydrophobicContact CE3-CB 4.13Å; W277-P306 HydrophobicContact CE3-CG 4.38Å; W277-P306 HydrophobicContact CG-CB 4.22Å
278T92.1Very high91.7Very high57 Ų5747.4 Ų47.435%0.3525%0.245SC..  trans-109.135.7169.857.50000110.6Y276 Y281 L283Y276-T278 HydrophobicContact CD2-CG2 4.25Å; Y276-T278 HydrophobicContact CE2-CG2 3.97Å; T278-Y281 CarbonylContact C-O 3.51Å; T278-Y281 WeakPolarHBondContact CA-O 3.46Å; T278-Y281 WeakPolarHBondContact CB-O 3.33Å; T278-L283 HydrophobicContact CG2-CG 4.26Å
279K93.6Very high91.4Very high107 Ų10746.1 Ų46.147%0.46524%0.239SC..SBendtrans-73.3-50.7-174.6-176.268177.5-171.20111.1Q168 F198 W277Q168-K279 WeakPolarHBondContact CG-O 3.16Å; Q168-K279 PolarHBondContact NE2-O 3.47Å; F198-K279 HydrophobicContact CD2-CG 4.46Å; F198-K279 HydrophobicContact CE2-CB 4.41Å; W277-K279 HydrophobicContact CB-CB 4.42Å
280Y95Very high91.3Very high2 Ų245.8 Ų45.81%0.00824%0.24CC..SBendtrans-106.1-11.8-177.4-57.4-54.6000114N166 P169 Y174 L194 F198 P306 A307N166-Y280 HydrophobicContact CB-CE1 4.41Å; N166-Y280 PolarHBondContact OD1-OH 3.28Å; P169-Y280 VanDerWaalsContact CD-O 3.31Å; P169-Y280 WeakPolarHBondContact CD-O 3.12Å; Y174-Y280 VanDerWaalsContact CE2-O 3.24Å; Y174-Y280 WeakPolarHBondContact CE2-O 3.18Å; Y174-Y280 WeakPolarHBondContact OH-CB 3.45Å; Y174-Y280 PolarHBondContact OH-O 3.31Å; L194-Y280 HydrophobicContact CB-CD2 3.78Å; L194-Y280 HydrophobicContact CB-CE2 3.7Å; L194-Y280 HydrophobicContact CB-CG 4.26Å; L194-Y280 HydrophobicContact CD1-CD2 4.35Å; L194-Y280 HydrophobicContact CD1-CG 4.11Å; L194-Y280 HydrophobicContact CD2-CD1 4.01Å; L194-Y280 HydrophobicContact CD2-CE1 4.02Å; L194-Y280 HydrophobicContact CD2-CG 4.32Å; L194-Y280 HydrophobicContact CG-CD2 4.46Å; L194-Y280 HydrophobicContact CG-CG 4.46Å; L194-Y280 WeakPolarHBondContact O-CE2 3.32Å; L194-Y280 PolarHBondContact O-OH 2.9Å; F198-Y280 HydrophobicContact CB-CE2 4.09Å; F198-Y280 HydrophobicContact CD2-CE2 4.15Å; F198-Y280 PolarHBondContact N-OH 3.13Å; Y280-P306 VanDerWaalsContact CD2-O 3.31Å; Y280-P306 WeakPolarHBondContact CD2-O 3.19Å; Y280-A307 HydrophobicContact CD2-CB 4.14Å
281Y93.1Very high91.2Very high4 Ų443.6 Ų43.62%0.01623%0.233CC..  trans-136.1152.7169.452.8-96000109.5Y174 W277 T278 I288 V292 L304 D305 P306 P309Y174-Y281 HydrophobicContact CE1-CD1 4.33Å; W277-Y281 WeakPolarHBondContact O-CE2 3.46Å; W277-Y281 PolarHBondContact O-OH 3Å; T278-Y281 CarbonylContact C-O 3.51Å; T278-Y281 WeakPolarHBondContact CA-O 3.46Å; T278-Y281 WeakPolarHBondContact CB-O 3.33Å; Y281-I288 HydrophobicContact CD2-CG2 4.11Å; Y281-I288 HydrophobicContact CG-CG2 4.46Å; Y281-V292 HydrophobicContact CD2-CG2 4.26Å; Y281-V292 HydrophobicContact CE2-CG2 3.79Å; Y281-L304 HydrophobicContact CE2-CD2 4.48Å; Y281-L304 VanDerWaalsContact OH-CD2 3.23Å; Y281-L304 WeakPolarHBondContact OH-CD2 3.35Å; Y281-L304 WeakPolarHBondContact OH-CG 3.25Å; Y281-D305 WeakPolarHBondContact CE1-O 3.35Å; Y281-D305 PolarHBondContact OH-O 3.29Å; Y281-P306 WeakPolarHBondContact CE1-O 3.5Å; Y281-P309 HydrophobicContact CD1-CB 4.01Å; Y281-P309 HydrophobicContact CD1-CG 4.14Å; Y281-P309 HydrophobicContact CD2-CB 4.06Å; Y281-P309 HydrophobicContact CE1-CB 3.81Å; Y281-P309 HydrophobicContact CE1-CG 4.31Å; Y281-P309 HydrophobicContact CE2-CB 3.87Å; Y281-P309 HydrophobicContact CG-CB 4.13Å; Y281-P309 HydrophobicContact CG-CG 4.37Å
282T90.4Very high91.2Very high31 Ų3139.1 Ų39.119%0.1921%0.21CC..  trans-118.3163.7177.771.30000110.3Q284T282-Q284 PolarHBondContact O-N 2.96Å
283L88.6Confident91.1Very high37 Ų3738.5 Ų38.519%0.19420%0.202CC..THydrogen-bonded Turntrans-8816.4177.7-55-175.6000112.8T278 E289 V292T278-L283 HydrophobicContact CG2-CG 4.26Å; L283-E289 HydrophobicContact CB-CB 4.43Å; L283-E289 HydrophobicContact CB-CG 4.19Å; L283-V292 HydrophobicContact CD2-CB 3.96Å; L283-V292 HydrophobicContact CD2-CG1 4.01Å; L283-V292 HydrophobicContact CD2-CG2 3.99Å
284Q88.8Confident90.9Very high181 Ų18142.9 Ų42.985%0.84622%0.222SC*.THydrogen-bonded Turntrans-77.8-29.8178.8-67.5175.9-7.400112.3T282T282-Q284 PolarHBondContact O-N 2.96Å
285N91.9Very high90.9Very high45 Ų4543.7 Ų43.724%0.24123%0.226CC..SBendtrans-85.6121.9175.7-175.7-70.7000109.7P171 I287 I288 E289P171-N285 HydrophobicContact CB-CB 4.32Å; N285-I287 VanDerWaalsContact C-N 3.26Å; N285-I287 PolarHBondContact O-N 3.08Å; N285-I287 WeakPolarHBondContact OD1-CB 3.42Å; N285-I287 PolarHBondContact OD1-N 3.31Å; N285-I288 HydrophobicContact CB-CB 4.27Å; N285-I288 HydrophobicContact CB-CD1 3.93Å; N285-I288 HydrophobicContact CB-CG1 4.05Å; N285-I288 PolarHBondContact O-N 2.73Å; N285-I288 VanDerWaalsContact O-N 3.13Å; N285-I288 PolarHBondContact OD1-N 3.41Å; N285-E289 PolarHBondContact O-N 3.35Å
286A89.2Confident90.7Very high70 Ų7043.7 Ų43.758%0.57923%0.226SC*.Hα-helixtrans-58.2-32.9-174.700000114.3D290A286-D290 WeakPolarHBondContact O-CB 3.46Å; A286-D290 PolarHBondContact O-N 3.16Å
287I92.1Very high90.3Very high70 Ų7046.8 Ų46.836%0.35924%0.24SC..Hα-helixtrans-72.3-42.7179.5-61.5172.2000110.3V175 I178 N285 C291V175-I287 HydrophobicContact CG1-CD1 3.71Å; V175-I287 HydrophobicContact CG2-CB 4.25Å; V175-I287 HydrophobicContact CG2-CD1 4.24Å; V175-I287 HydrophobicContact CG2-CG2 4.45Å; I178-I287 HydrophobicContact CB-CG2 4.4Å; I178-I287 HydrophobicContact CD1-CG2 4.06Å; I178-I287 HydrophobicContact CG2-CG2 4.05Å; N285-I287 VanDerWaalsContact C-N 3.26Å; N285-I287 PolarHBondContact O-N 3.08Å; N285-I287 WeakPolarHBondContact OD1-CB 3.42Å; N285-I287 PolarHBondContact OD1-N 3.31Å; I287-C291 WeakPolarHBondContact O-CB 3.48Å; I287-C291 PolarHBondContact O-N 3.4Å
288I92.6Very high90.1Very high2 Ų249.6 Ų49.61%0.0125%0.252CS..Hα-helixtrans-66.6-43.9176.2-58.1177.9000109.6P171 Y174 V175 I178 Y281 N285 D290 C291 V292 P309P171-I288 HydrophobicContact CB-CD1 4Å; Y174-I288 HydrophobicContact CD2-CD1 4.15Å; Y174-I288 HydrophobicContact CG-CD1 4.33Å; V175-I288 HydrophobicContact CG2-CG1 4.48Å; I178-I288 HydrophobicContact CD1-CG1 4.18Å; Y281-I288 HydrophobicContact CD2-CG2 4.11Å; Y281-I288 HydrophobicContact CG-CG2 4.46Å; N285-I288 HydrophobicContact CB-CB 4.27Å; N285-I288 HydrophobicContact CB-CD1 3.93Å; N285-I288 HydrophobicContact CB-CG1 4.05Å; N285-I288 PolarHBondContact O-N 2.73Å; N285-I288 VanDerWaalsContact O-N 3.13Å; N285-I288 PolarHBondContact OD1-N 3.41Å; I288-D290 PolarHBondContact O-N 3.08Å; I288-C291 WeakPolarHBondContact O-CB 3.43Å; I288-C291 PolarHBondContact O-N 2.96Å; I288-V292 HydrophobicContact CG2-CG2 4.26Å; I288-V292 WeakPolarHBondContact O-CG2 3.29Å; I288-V292 PolarHBondContact O-N 2.96Å; I288-P309 HydrophobicContact CG2-CB 4.42Å
289E88.7Confident90Very high46 Ų4655.3 Ų55.322%0.21528%0.275CS..Hα-helixtrans-58.3-49.1177.5-171-164.6172.300111.6L283 N285 C291 V292 R293L283-E289 HydrophobicContact CB-CB 4.43Å; L283-E289 HydrophobicContact CB-CG 4.19Å; N285-E289 PolarHBondContact O-N 3.35Å; E289-C291 VanDerWaalsContact C-N 3.35Å; E289-C291 PolarHBondContact O-N 3.48Å; E289-V292 PolarHBondContact O-N 2.98Å; E289-R293 WeakPolarHBondContact O-CB 3.46Å; E289-R293 PolarHBondContact O-N 2.74Å; E289-R293 IonicContact OE1-CZ 3.66Å; E289-R293 IonicContact OE1-NH2 3.68Å; E289-R293 PolarHBondContact OE1-NH2 2.86Å
290D87.4Confident89.9Confident75 Ų7553.2 Ų53.240%0.40126%0.264SS..Hα-helixtrans-62.3-44177.5-174.458.7000111A286 I288 V292 R293 Q294A286-D290 WeakPolarHBondContact O-CB 3.46Å; A286-D290 PolarHBondContact O-N 3.16Å; I288-D290 PolarHBondContact O-N 3.08Å; D290-V292 PolarHBondContact O-N 3.47Å; D290-R293 WeakPolarHBondContact O-CB 3.44Å; D290-R293 PolarHBondContact O-N 3.25Å; D290-Q294 VanDerWaalsContact O-CG 3.32Å; D290-Q294 WeakPolarHBondContact O-CG 3.31Å; D290-Q294 PolarHBondContact O-N 2.84Å; D290-Q294 PolarHBondContact OD1-NE2 2.9Å
291C91Very high89.9Confident16 Ų1653.5 Ų53.511%0.10827%0.266CS..Hα-helixtrans-56-53176.3-177.90000112.2I178 I287 I288 E289 R293 Q294 Q295I178-C291 HydrophobicContact CD1-CB 3.62Å; I178-C291 HydrophobicContact CG1-CB 4.09Å; I178-C291 HydrophobicContact CG2-CB 4.4Å; I287-C291 WeakPolarHBondContact O-CB 3.48Å; I287-C291 PolarHBondContact O-N 3.4Å; I288-C291 WeakPolarHBondContact O-CB 3.43Å; I288-C291 PolarHBondContact O-N 2.96Å; E289-C291 VanDerWaalsContact C-N 3.35Å; E289-C291 PolarHBondContact O-N 3.48Å; C291-R293 VanDerWaalsContact C-N 3.31Å; C291-R293 PolarHBondContact O-N 3.05Å; C291-Q294 PolarHBondContact O-N 3.39Å; C291-Q295 WeakPolarHBondContact O-CG 3.47Å; C291-Q295 PolarHBondContact O-N 3.45Å
292V90.6Very high90Very high1 Ų153.3 Ų53.31%0.00627%0.266CS..Hα-helixtrans-59.4-45177.41730000110Y281 L283 I288 E289 D290 Q294 Q295 L296 L304 P309Y281-V292 HydrophobicContact CD2-CG2 4.26Å; Y281-V292 HydrophobicContact CE2-CG2 3.79Å; L283-V292 HydrophobicContact CD2-CB 3.96Å; L283-V292 HydrophobicContact CD2-CG1 4.01Å; L283-V292 HydrophobicContact CD2-CG2 3.99Å; I288-V292 HydrophobicContact CG2-CG2 4.26Å; I288-V292 WeakPolarHBondContact O-CG2 3.29Å; I288-V292 PolarHBondContact O-N 2.96Å; E289-V292 PolarHBondContact O-N 2.98Å; D290-V292 PolarHBondContact O-N 3.47Å; V292-Q294 VanDerWaalsContact C-N 3.31Å; V292-Q294 PolarHBondContact O-N 3.35Å; V292-Q295 WeakPolarHBondContact O-CB 3.46Å; V292-Q295 PolarHBondContact O-N 3.33Å; V292-Q295 VanDerWaalsContact O-N 3.07Å; V292-L296 HydrophobicContact CG1-CD1 3.77Å; V292-L296 HydrophobicContact CG1-CG 4.07Å; V292-L296 VanDerWaalsContact O-CG 3.28Å; V292-L296 WeakPolarHBondContact O-CG 3.49Å; V292-L296 PolarHBondContact O-N 3.09Å; V292-L304 HydrophobicContact CB-CD2 4.39Å; V292-L304 HydrophobicContact CG1-CD2 3.88Å; V292-L304 HydrophobicContact CG2-CD2 4.05Å; V292-P309 HydrophobicContact CG2-CB 3.92Å
293R86Confident90.3Very high34 Ų3451.8 Ų51.813%0.12826%0.256CS..Hα-helixtrans-58.9-40.4177.8-174.9-171.8-63.9179.4-4112.4E289 D290 C291 L296 K297E289-R293 WeakPolarHBondContact O-CB 3.46Å; E289-R293 PolarHBondContact O-N 2.74Å; E289-R293 IonicContact OE1-CZ 3.66Å; E289-R293 IonicContact OE1-NH2 3.68Å; E289-R293 PolarHBondContact OE1-NH2 2.86Å; D290-R293 WeakPolarHBondContact O-CB 3.44Å; D290-R293 PolarHBondContact O-N 3.25Å; C291-R293 VanDerWaalsContact C-N 3.31Å; C291-R293 PolarHBondContact O-N 3.05Å; R293-L296 PolarHBondContact O-N 3.1Å; R293-K297 WeakPolarHBondContact O-CG 3.49Å; R293-K297 PolarHBondContact O-N 3.38Å
294Q87.8Confident90.6Very high92 Ų9250 Ų5043%0.4325%0.247SC..Hα-helixtrans-66-39.9174.9-63.1-53-27.700111.4D290 C291 V292 K297D290-Q294 VanDerWaalsContact O-CG 3.32Å; D290-Q294 WeakPolarHBondContact O-CG 3.31Å; D290-Q294 PolarHBondContact O-N 2.84Å; D290-Q294 PolarHBondContact OD1-NE2 2.9Å; C291-Q294 PolarHBondContact O-N 3.39Å; V292-Q294 VanDerWaalsContact C-N 3.31Å; V292-Q294 PolarHBondContact O-N 3.35Å; Q294-K297 PolarHBondContact O-N 3Å
295Q90.6Very high91Very high19 Ų1941.4 Ų41.49%0.08921%0.207CC..Hα-helixtrans-62.1-44.2174.9-63.4-66-22.400111.7C291 V292 K297 K298 L304 T310C291-Q295 WeakPolarHBondContact O-CG 3.47Å; C291-Q295 PolarHBondContact O-N 3.45Å; V292-Q295 WeakPolarHBondContact O-CB 3.46Å; V292-Q295 PolarHBondContact O-N 3.33Å; V292-Q295 VanDerWaalsContact O-N 3.07Å; Q295-K297 PolarHBondContact O-N 3.38Å; Q295-K298 WeakPolarHBondContact O-CB 3.4Å; Q295-K298 PolarHBondContact O-N 2.75Å; Q295-K298 VanDerWaalsContact O-N 3.12Å; Q295-K298 VanDerWaalsContact OE1-CE 3.25Å; Q295-L304 HydrophobicContact CB-CD1 3.95Å; Q295-L304 HydrophobicContact CG-CD1 3.94Å; Q295-T310 PolarHBondContact NE2-O 3.49Å
296L88.6Confident91.2Very high2 Ų239.3 Ų39.31%0.0120%0.195CC..Hα-helixtrans-68-14.1-178.8-62.7179.2000113.6Y276 V292 R293 I302 F419Y276-L296 HydrophobicContact CD1-CD1 3.95Å; Y276-L296 HydrophobicContact CD1-CD2 3.83Å; Y276-L296 HydrophobicContact CE1-CD1 3.87Å; Y276-L296 HydrophobicContact CE1-CD2 4.5Å; Y276-L296 HydrophobicContact CG-CD1 4.48Å; Y276-L296 HydrophobicContact CG-CD2 4.31Å; V292-L296 HydrophobicContact CG1-CD1 3.77Å; V292-L296 HydrophobicContact CG1-CG 4.07Å; V292-L296 VanDerWaalsContact O-CG 3.28Å; V292-L296 WeakPolarHBondContact O-CG 3.49Å; V292-L296 PolarHBondContact O-N 3.09Å; R293-L296 PolarHBondContact O-N 3.1Å; L296-I302 HydrophobicContact CD2-CG2 3.99Å; L296-I302 VanDerWaalsContact O-CD1 3.29Å; L296-I302 WeakPolarHBondContact O-CD1 3.38Å; L296-F419 HydrophobicContact CB-CB 3.89Å; L296-F419 HydrophobicContact CB-CD2 3.81Å; L296-F419 HydrophobicContact CB-CG 4.01Å; L296-F419 HydrophobicContact CD1-CB 3.56Å; L296-F419 HydrophobicContact CG-CB 4.29Å; L296-F419 WeakPolarHBondContact O-CD2 3.28Å; L296-F419 WeakPolarHBondContact O-CE2 3.27Å
297K85.3Confident91.5Very high87 Ų8736 Ų3638%0.37817%0.168SC..THydrogen-bonded Turntrans-88.6-10174.7-73.9170.6-178.7171.90114.1R293 Q294 Q295R293-K297 WeakPolarHBondContact O-CG 3.49Å; R293-K297 PolarHBondContact O-N 3.38Å; Q294-K297 PolarHBondContact O-N 3Å; Q295-K297 PolarHBondContact O-N 3.38Å
298K88.8Confident91.7Very high63 Ų6332.6 Ų32.627%0.27415%0.151SC..SBendtrans-67.2171.9-178.5-70.3-178.7168.8-175.50112.2Q295 E315Q295-K298 WeakPolarHBondContact O-CB 3.4Å; Q295-K298 PolarHBondContact O-N 2.75Å; Q295-K298 VanDerWaalsContact O-N 3.12Å; Q295-K298 VanDerWaalsContact OE1-CE 3.25Å; K298-E315 IonicContact NZ-OE1 3.87Å; K298-E315 PolarHBondContact NZ-OE1 3.02Å; K298-E315 VanDerWaalsContact NZ-OE1 3.13Å; K298-E315 IonicContact NZ-OE2 2.63Å; K298-E315 PolarHBondContact NZ-OE2 3.15Å
299E90.4Very high91.7Very high178 Ų17832.5 Ų32.583%0.83215%0.15SC*.SBendtrans-62.4145.9169.2-166.8175.2-174.200110.7
300R90.8Very high91.9Very high62 Ų6231.4 Ų31.423%0.23415%0.147CC..SBendtrans-88.4158.1-176.9-68.1162.9-167.4-124.4-9.3110.8D271 V272 I302 Y373D271-R300 WeakPolarHBondContact O-CB 3.39Å; D271-R300 WeakPolarHBondContact O-CD 3.41Å; V272-R300 PolarHBondContact O-NH1 2.9Å; R300-I302 HydrophobicContact CG-CD1 4.31Å; R300-I302 HydrophobicContact CG-CG1 4.17Å; R300-Y373 PolarHBondContact NH1-OH 3.02Å; R300-Y373 PolarHBondContact NH2-OH 3.06Å
301P95.6Very high92.3Very high8 Ų829.5 Ų29.55%0.05214%0.135CC..PPolyproline II helixcis-72.7146.33.822.6-25.2000113.4Y270 I273 N312 A314 W319Y270-P301 HydrophobicContact CD2-CG 4.19Å; Y270-P301 WeakPolarHBondContact O-CB 3.42Å; I273-P301 HydrophobicContact CB-CB 4.09Å; I273-P301 HydrophobicContact CG2-CB 4.39Å; P301-N312 PolarHBondContact O-ND2 3Å; P301-N312 VanDerWaalsContact O-ND2 3.11Å; P301-A314 HydrophobicContact CB-CB 4.05Å; P301-A314 HydrophobicContact CG-CB 3.92Å; P301-W319 HydrophobicContact CG-CB 4.43Å; P301-W319 HydrophobicContact CG-CD2 3.74Å; P301-W319 HydrophobicContact CG-CG 3.6Å; P301-W319 HydrophobicContact CG-CZ2 4.31Å; P301-W319 VanDerWaalsContact CG-NE1 3.28Å
302I94.5Very high92.5Very high0 Ų028.8 Ų28.80%013%0.131CC..EExtended strand (participates in β ladder)trans-112.8113172.5-53.1172.8000108.4I273 C274 I275 L296 R300I273-I302 PolarHBondContact O-N 3.25Å; C274-I302 CarbonylContact C-O 3.5Å; C274-I302 WeakPolarHBondContact CA-O 3.49Å; I275-I302 PolarHBondContact N-O 2.64Å; L296-I302 HydrophobicContact CD2-CG2 3.99Å; L296-I302 VanDerWaalsContact O-CD1 3.29Å; L296-I302 WeakPolarHBondContact O-CD1 3.38Å; R300-I302 HydrophobicContact CG-CD1 4.31Å; R300-I302 HydrophobicContact CG-CG1 4.17Å
303I96.8Very high92.7Very high0 Ų028.8 Ų28.80%013%0.131CC..EExtended strand (participates in β ladder)trans-126.695.2169.1-54.5178000105.4L238 L239 I273 I275 W277 N312 V313 A314 W319L238-I303 HydrophobicContact CB-CG2 3.85Å; L238-I303 HydrophobicContact CD1-CG2 3.98Å; L239-I303 HydrophobicContact CB-CD1 4.26Å; L239-I303 HydrophobicContact CD1-CD1 4.49Å; I273-I303 HydrophobicContact CG2-CD1 4.4Å; I273-I303 HydrophobicContact CG2-CG1 3.89Å; I275-I303 HydrophobicContact CD1-CG1 4.43Å; I275-I303 WeakPolarHBondContact O-CA 3.34Å; W277-I303 HydrophobicContact CH2-CG2 4.31Å; W277-I303 HydrophobicContact CZ3-CG2 4.14Å; I303-N312 PolarHBondContact N-OD1 3.36Å; I303-N312 PolarHBondContact O-OD1 3.39Å; I303-V313 HydrophobicContact CB-CG2 3.8Å; I303-V313 HydrophobicContact CG2-CG2 3.71Å; I303-V313 VanDerWaalsContact O-CG2 3.27Å; I303-V313 WeakPolarHBondContact O-CG2 3.2Å; I303-V313 PolarHBondContact O-N 3.37Å; I303-A314 HydrophobicContact CB-CB 4.01Å; I303-A314 HydrophobicContact CD1-CB 4.11Å; I303-A314 HydrophobicContact CG1-CB 3.9Å; I303-W319 HydrophobicContact CD1-CH2 4.06Å; I303-W319 HydrophobicContact CD1-CZ2 4.37Å
304L95.8Very high93.2Very high0 Ų027.2 Ų27.20%012%0.124CC..BIsolated β-bridgetrans-77.4130.5-178.2-165.564.8000109.8I275 W277 Y281 V292 Q295I275-L304 PolarHBondContact O-N 2.77Å; W277-L304 WeakPolarHBondContact CZ3-O 3.33Å; Y281-L304 HydrophobicContact CE2-CD2 4.48Å; Y281-L304 VanDerWaalsContact OH-CD2 3.23Å; Y281-L304 WeakPolarHBondContact OH-CD2 3.35Å; Y281-L304 WeakPolarHBondContact OH-CG 3.25Å; V292-L304 HydrophobicContact CB-CD2 4.39Å; V292-L304 HydrophobicContact CG1-CD2 3.88Å; V292-L304 HydrophobicContact CG2-CD2 4.05Å; Q295-L304 HydrophobicContact CB-CD1 3.95Å; Q295-L304 HydrophobicContact CG-CD1 3.94Å
305D96.9Very high93.5Very high0 Ų026.5 Ų26.50%012%0.121CC..  trans-58.4126.2178.8-172.5-27.1000110Q195 Y234 Y281 A307 D308 H311 V313Q195-D305 PolarHBondContact NE2-OD2 2.7Å; Y234-D305 PolarHBondContact OH-OD1 3.38Å; Y281-D305 WeakPolarHBondContact CE1-O 3.35Å; Y281-D305 PolarHBondContact OH-O 3.29Å; D305-A307 PolarHBondContact O-N 3.08Å; D305-A307 WeakPolarHBondContact OD1-CA 3.21Å; D305-A307 WeakPolarHBondContact OD1-CB 3.4Å; D305-A307 PolarHBondContact OD1-N 3.16Å; D305-D308 HydrophobicContact CB-CB 4.05Å; D305-D308 PolarHBondContact O-N 3.31Å; D305-H311 HydrophobicContact CB-CB 4.27Å; D305-H311 WeakPolarHBondContact CB-O 3.46Å; D305-H311 PolarHBondContact N-O 3.48Å; D305-V313 HydrophobicContact CB-CG1 3.98Å
306P96.6Very high93.6Very high0 Ų028.8 Ų28.80%015%0.15CC..SBendtrans-61.2-2217725.3-35.8000113.6F198 L238 W277 Y280 Y281F198-P306 HydrophobicContact CB-CG 4.36Å; F198-P306 HydrophobicContact CD1-CB 4.48Å; F198-P306 HydrophobicContact CD1-CG 3.72Å; F198-P306 HydrophobicContact CD2-CB 3.73Å; F198-P306 HydrophobicContact CD2-CG 3.81Å; F198-P306 HydrophobicContact CE1-CB 4.44Å; F198-P306 HydrophobicContact CE1-CG 3.9Å; F198-P306 HydrophobicContact CE2-CB 3.7Å; F198-P306 HydrophobicContact CE2-CG 3.99Å; F198-P306 HydrophobicContact CG-CB 4.15Å; F198-P306 HydrophobicContact CG-CG 3.68Å; F198-P306 HydrophobicContact CZ-CB 4.08Å; F198-P306 HydrophobicContact CZ-CG 4.04Å; L238-P306 HydrophobicContact CD2-CG 3.91Å; W277-P306 HydrophobicContact CB-CB 3.94Å; W277-P306 HydrophobicContact CD2-CB 4.28Å; W277-P306 HydrophobicContact CE3-CB 4.13Å; W277-P306 HydrophobicContact CE3-CG 4.38Å; W277-P306 HydrophobicContact CG-CB 4.22Å; Y280-P306 VanDerWaalsContact CD2-O 3.31Å; Y280-P306 WeakPolarHBondContact CD2-O 3.19Å; Y281-P306 WeakPolarHBondContact CE1-O 3.5Å
307A95.5Very high94Very high0 Ų032.3 Ų32.30%016%0.163CC..SBendtrans-102.9-14.7-178.400000114.1Y174 F191 L194 Q195 Y280 D305Y174-A307 WeakPolarHBondContact CE1-O 3.35Å; F191-A307 HydrophobicContact CB-CB 4.14Å; L194-A307 HydrophobicContact CB-CB 3.61Å; L194-A307 HydrophobicContact CD1-CB 4.48Å; Q195-A307 HydrophobicContact CG-CB 3.62Å; Y280-A307 HydrophobicContact CD2-CB 4.14Å; D305-A307 PolarHBondContact O-N 3.08Å; D305-A307 WeakPolarHBondContact OD1-CA 3.21Å; D305-A307 WeakPolarHBondContact OD1-CB 3.4Å; D305-A307 PolarHBondContact OD1-N 3.16Å
308D94.9Very high94.5Very high0 Ų033.7 Ų33.70%017%0.166CC..  trans-137.9102-177.7-175.6-17.5000110.5L177 S188 D305 T310 H311L177-D308 WeakPolarHBondContact CD2-OD1 3.41Å; S188-D308 PolarHBondContact OG-OD2 3.48Å; D305-D308 HydrophobicContact CB-CB 4.05Å; D305-D308 PolarHBondContact O-N 3.31Å; D308-T310 PolarHBondContact O-N 2.58Å; D308-T310 WeakPolarHBondContact OD1-CB 3.36Å; D308-T310 PolarHBondContact OD1-N 3.23Å; D308-T310 PolarHBondContact OD1-OG1 3.49Å; D308-H311 HydrophobicContact CB-CB 4.1Å; D308-H311 PolarHBondContact O-N 2.91Å
309P93.8Very high95Very high0 Ų030.9 Ų30.90%015%0.154CC..THydrogen-bonded Turntrans-68.2-6.5-177.129.3-35.1000113.6Y174 Y281 I288 V292Y174-P309 VanDerWaalsContact CD1-CD 3.48Å; Y174-P309 HydrophobicContact CD1-CG 3.78Å; Y174-P309 HydrophobicContact CE1-CG 4.43Å; Y174-P309 HydrophobicContact CG-CG 4.24Å; Y281-P309 HydrophobicContact CD1-CB 4.01Å; Y281-P309 HydrophobicContact CD1-CG 4.14Å; Y281-P309 HydrophobicContact CD2-CB 4.06Å; Y281-P309 HydrophobicContact CE1-CB 3.81Å; Y281-P309 HydrophobicContact CE1-CG 4.31Å; Y281-P309 HydrophobicContact CE2-CB 3.87Å; Y281-P309 HydrophobicContact CG-CB 4.13Å; Y281-P309 HydrophobicContact CG-CG 4.37Å; I288-P309 HydrophobicContact CG2-CB 4.42Å; V292-P309 HydrophobicContact CG2-CB 3.92Å
310T93.4Very high95.3Very high22 Ų2225.3 Ų25.314%0.13513%0.13CC..THydrogen-bonded Turntrans-94.6-12.517974.80000112.9L177 I178 Q295 D308L177-T310 HydrophobicContact CD2-CG2 3.89Å; L177-T310 HydrophobicContact CG-CG2 4Å; I178-T310 HydrophobicContact CG1-CG2 3.88Å; Q295-T310 PolarHBondContact NE2-O 3.49Å; D308-T310 PolarHBondContact O-N 2.58Å; D308-T310 WeakPolarHBondContact OD1-CB 3.36Å; D308-T310 PolarHBondContact OD1-N 3.23Å; D308-T310 PolarHBondContact OD1-OG1 3.49Å
311H94.6Very high95.6Very high35 Ų3523.4 Ų23.416%0.16212%0.124CC..  trans-112101.8-167.7-170.141.3000112.7G185 D305 D308 V313G185-H311 WeakPolarHBondContact CA-ND1 3.37Å; G185-H311 PolarHBondContact N-ND1 3.46Å; D305-H311 HydrophobicContact CB-CB 4.27Å; D305-H311 WeakPolarHBondContact CB-O 3.46Å; D305-H311 PolarHBondContact N-O 3.48Å; D308-H311 HydrophobicContact CB-CB 4.1Å; D308-H311 PolarHBondContact O-N 2.91Å; H311-V313 PolarHBondContact O-N 3.36Å
312N95.4Very high95.8Very high2 Ų223 Ų231%0.01112%0.122CC..BIsolated β-bridgetrans-76.1104.7162178.710.1000108.8P301 I303 A314 E315P301-N312 PolarHBondContact O-ND2 3Å; P301-N312 VanDerWaalsContact O-ND2 3.11Å; I303-N312 PolarHBondContact N-OD1 3.36Å; I303-N312 PolarHBondContact O-OD1 3.39Å; N312-A314 PolarHBondContact O-N 2.86Å; N312-A314 VanDerWaalsContact O-N 3.1Å; N312-A314 WeakPolarHBondContact OD1-CB 3.33Å; N312-A314 PolarHBondContact OD1-N 3.32Å; N312-A314 VanDerWaalsContact OD1-N 3.11Å; N312-E315 HydrophobicContact CB-CB 4.09Å; N312-E315 PolarHBondContact O-N 3.14Å
313V95.8Very high95.9Very high1 Ų123.6 Ų23.61%0.00613%0.126CC..THydrogen-bonded Turntrans-68.3-11.6-176.6-57.80000113P232 Y234 A235 L238 I303 D305 H311P232-V313 WeakPolarHBondContact CD-O 3.34Å; P232-V313 WeakPolarHBondContact CG-O 3.03Å; Y234-V313 HydrophobicContact CD1-CG1 3.82Å; Y234-V313 HydrophobicContact CE1-CG1 3.94Å; A235-V313 HydrophobicContact CB-CB 4.36Å; A235-V313 HydrophobicContact CB-CG2 3.71Å; L238-V313 HydrophobicContact CD1-CG1 4.35Å; L238-V313 HydrophobicContact CD1-CG2 3.87Å; I303-V313 HydrophobicContact CB-CG2 3.8Å; I303-V313 HydrophobicContact CG2-CG2 3.71Å; I303-V313 VanDerWaalsContact O-CG2 3.27Å; I303-V313 WeakPolarHBondContact O-CG2 3.2Å; I303-V313 PolarHBondContact O-N 3.37Å; D305-V313 HydrophobicContact CB-CG1 3.98Å; H311-V313 PolarHBondContact O-N 3.36Å
314A96.1Very high96Very high0 Ų028.9 Ų28.90%015%0.151CC..THydrogen-bonded Turntrans-99.5-7.5-176.800000113.6P301 I303 N312 W319P301-A314 HydrophobicContact CB-CB 4.05Å; P301-A314 HydrophobicContact CG-CB 3.92Å; I303-A314 HydrophobicContact CB-CB 4.01Å; I303-A314 HydrophobicContact CD1-CB 4.11Å; I303-A314 HydrophobicContact CG1-CB 3.9Å; N312-A314 PolarHBondContact O-N 2.86Å; N312-A314 VanDerWaalsContact O-N 3.1Å; N312-A314 WeakPolarHBondContact OD1-CB 3.33Å; N312-A314 PolarHBondContact OD1-N 3.32Å; N312-A314 VanDerWaalsContact OD1-N 3.11Å; A314-W319 HydrophobicContact CB-CZ2 3.55Å; A314-W319 PolarHBondContact O-NE1 3.08Å
315E94.1Very high96.1Very high78 Ų7830.3 Ų30.336%0.36416%0.157SC..THydrogen-bonded Turntrans-69.4132.1-174.7-171.4169.4-160.900112.7K298 N312 Y317K298-E315 IonicContact NZ-OE1 3.87Å; K298-E315 PolarHBondContact NZ-OE1 3.02Å; K298-E315 VanDerWaalsContact NZ-OE1 3.13Å; K298-E315 IonicContact NZ-OE2 2.63Å; K298-E315 PolarHBondContact NZ-OE2 3.15Å; N312-E315 HydrophobicContact CB-CB 4.09Å; N312-E315 PolarHBondContact O-N 3.14Å; E315-Y317 WeakPolarHBondContact O-CD2 3.23Å; E315-Y317 WeakPolarHBondContact O-CE2 3.29Å
316G92.4Very high96.1Very high67 Ų6730.3 Ų30.369%0.69116%0.157SC*.THydrogen-bonded Turntrans84.913.3168.100000117N229N229-G316 PolarHBondContact ND2-O 3.39Å
317Y95.9Very high96.2Very high75 Ų7532.2 Ų32.229%0.29417%0.171SC..SBendtrans-112.6159.7-176.4-60.2-77.9000114.2N229 L230 P231 P232 E315 W319N229-Y317 WeakPolarHBondContact O-CA 3.18Å; L230-Y317 VanDerWaalsContact C-CD1 3.48Å; L230-Y317 WeakPolarHBondContact O-CD1 3.44Å; P231-Y317 VanDerWaalsContact CA-CG 3.49Å; P231-Y317 HydrophobicContact CB-CD2 4.28Å; P231-Y317 HydrophobicContact CB-CG 4.1Å; P232-Y317 VanDerWaalsContact CD-CE2 3.49Å; P232-Y317 HydrophobicContact CG-CE2 4.34Å; E315-Y317 WeakPolarHBondContact O-CD2 3.23Å; E315-Y317 WeakPolarHBondContact O-CE2 3.29Å; Y317-W319 VanDerWaalsContact C-N 3.25Å; Y317-W319 PolarHBondContact O-N 2.79Å
318R97.3Very high96.3Very high117 Ų11735.5 Ų35.544%0.44219%0.186SC..  trans-78.565.7179.5-66.5-62.8-58.8-88.4-2.3112.8N229 L230 D320 I321N229-R318 PolarHBondContact O-N 3.36Å; L230-R318 HydrophobicContact CD2-CB 4.49Å; R318-D320 VanDerWaalsContact C-OD1 3.27Å; R318-D320 VanDerWaalsContact CA-OD1 3.28Å; R318-D320 WeakPolarHBondContact CA-OD1 3.33Å; R318-D320 WeakPolarHBondContact CB-OD1 3.36Å; R318-D320 IonicContact CZ-OD1 2.67Å; R318-D320 IonicContact CZ-OD2 3.57Å; R318-D320 IonicContact NE-OD1 3.49Å; R318-D320 PolarHBondContact NE-OD1 3.07Å; R318-D320 IonicContact NE-OD2 3.35Å; R318-D320 PolarHBondContact NE-OD2 3.12Å; R318-D320 IonicContact NH2-OD1 3.75Å; R318-D320 IonicContact NH2-OD2 2.72Å; R318-D320 PolarHBondContact NH2-OD2 3.49Å; R318-D320 PolarHBondContact O-N 3.38Å; R318-I321 HydrophobicContact CB-CD1 3.92Å; R318-I321 HydrophobicContact CB-CG1 4.27Å; R318-I321 HydrophobicContact CG-CD1 4.37Å; R318-I321 PolarHBondContact O-N 3.24Å
319W97.9Very high96.4Very high3 Ų335.5 Ų35.51%0.01119%0.186CC..Hα-helixtrans-63.2-26.8175.9-7395.5000113.2P231 A235 L236 L267 Y270 P301 I303 A314 Y317 I321 V322 A323P231-W319 HydrophobicContact CB-CD2 4.36Å; P231-W319 HydrophobicContact CB-CH2 3.99Å; P231-W319 HydrophobicContact CB-CZ2 3.51Å; P231-W319 HydrophobicContact CG-CD2 4.02Å; P231-W319 HydrophobicContact CG-CE3 4.15Å; P231-W319 HydrophobicContact CG-CH2 4.07Å; P231-W319 HydrophobicContact CG-CZ2 3.93Å; P231-W319 HydrophobicContact CG-CZ3 4.17Å; A235-W319 HydrophobicContact CB-CH2 3.99Å; A235-W319 HydrophobicContact CB-CZ2 3.98Å; L236-W319 HydrophobicContact CD1-CZ3 4.29Å; L236-W319 HydrophobicContact CD2-CH2 4.46Å; L267-W319 HydrophobicContact CD2-CE3 4.09Å; L267-W319 HydrophobicContact CD2-CZ3 3.58Å; Y270-W319 HydrophobicContact CD1-CB 4.24Å; Y270-W319 HydrophobicContact CD2-CB 3.35Å; Y270-W319 HydrophobicContact CD2-CG 4.11Å; Y270-W319 HydrophobicContact CE1-CB 4.45Å; Y270-W319 HydrophobicContact CE2-CB 3.62Å; Y270-W319 HydrophobicContact CG-CB 3.68Å; Y270-W319 HydrophobicContact CG-CG 4.49Å; P301-W319 HydrophobicContact CG-CB 4.43Å; P301-W319 HydrophobicContact CG-CD2 3.74Å; P301-W319 HydrophobicContact CG-CG 3.6Å; P301-W319 HydrophobicContact CG-CZ2 4.31Å; P301-W319 VanDerWaalsContact CG-NE1 3.28Å; I303-W319 HydrophobicContact CD1-CH2 4.06Å; I303-W319 HydrophobicContact CD1-CZ2 4.37Å; A314-W319 HydrophobicContact CB-CZ2 3.55Å; A314-W319 PolarHBondContact O-NE1 3.08Å; Y317-W319 VanDerWaalsContact C-N 3.25Å; Y317-W319 PolarHBondContact O-N 2.79Å; W319-I321 VanDerWaalsContact C-N 3.29Å; W319-I321 PolarHBondContact O-N 3.38Å; W319-V322 WeakPolarHBondContact O-CB 3.46Å; W319-V322 PolarHBondContact O-N 2.88Å; W319-V322 VanDerWaalsContact O-N 3.1Å; W319-A323 WeakPolarHBondContact O-CB 3.33Å; W319-A323 PolarHBondContact O-N 3.24Å
320D97.6Very high96.6Very high61 Ų6136.7 Ų36.733%0.32619%0.192SC..Hα-helixtrans-56.4-40.8172.863.5-59.3000112.7R318 Q324R318-D320 VanDerWaalsContact C-OD1 3.27Å; R318-D320 VanDerWaalsContact CA-OD1 3.28Å; R318-D320 WeakPolarHBondContact CA-OD1 3.33Å; R318-D320 WeakPolarHBondContact CB-OD1 3.36Å; R318-D320 IonicContact CZ-OD1 2.67Å; R318-D320 IonicContact CZ-OD2 3.57Å; R318-D320 IonicContact NE-OD1 3.49Å; R318-D320 PolarHBondContact NE-OD1 3.07Å; R318-D320 IonicContact NE-OD2 3.35Å; R318-D320 PolarHBondContact NE-OD2 3.12Å; R318-D320 IonicContact NH2-OD1 3.75Å; R318-D320 IonicContact NH2-OD2 2.72Å; R318-D320 PolarHBondContact NH2-OD2 3.49Å; R318-D320 PolarHBondContact O-N 3.38Å; D320-Q324 PolarHBondContact O-N 3.03Å
321I97.8Very high96.7Very high22 Ų2242.5 Ų42.511%0.11322%0.215CC..Hα-helixtrans-67.6-42.6175.8-65.2173.2000110.1A228 L230 R318 W319 A323 Q324 K325A228-I321 HydrophobicContact CB-CD1 3.67Å; L230-I321 HydrophobicContact CD2-CB 4.08Å; L230-I321 HydrophobicContact CD2-CD1 4.39Å; L230-I321 HydrophobicContact CD2-CG2 3.92Å; R318-I321 HydrophobicContact CB-CD1 3.92Å; R318-I321 HydrophobicContact CB-CG1 4.27Å; R318-I321 HydrophobicContact CG-CD1 4.37Å; R318-I321 PolarHBondContact O-N 3.24Å; W319-I321 VanDerWaalsContact C-N 3.29Å; W319-I321 PolarHBondContact O-N 3.38Å; I321-A323 VanDerWaalsContact C-N 3.35Å; I321-Q324 PolarHBondContact O-N 2.96Å; I321-K325 WeakPolarHBondContact O-CG 3.37Å; I321-K325 PolarHBondContact O-N 3.05Å
322V98.2Very high96.8Very high0 Ų043.7 Ų43.70%022%0.221CC..Hα-helixtrans-62.7-44.5178.7-171.70000110.5W216 Y217 V221 L230 P231 L267 W319 Q324 K325 A326W216-V322 HydrophobicContact CH2-CG1 3.81Å; W216-V322 HydrophobicContact CZ3-CG1 4.2Å; Y217-V322 HydrophobicContact CE2-CG1 4.36Å; Y217-V322 HydrophobicContact CE2-CG2 4.1Å; V221-V322 HydrophobicContact CG1-CG2 4.17Å; L230-V322 HydrophobicContact CD2-CG2 4.39Å; P231-V322 HydrophobicContact CG-CG2 3.73Å; L267-V322 HydrophobicContact CD1-CG1 4.14Å; L267-V322 HydrophobicContact CD2-CG1 3.9Å; L267-V322 HydrophobicContact CG-CG1 4.48Å; W319-V322 WeakPolarHBondContact O-CB 3.46Å; W319-V322 PolarHBondContact O-N 2.88Å; W319-V322 VanDerWaalsContact O-N 3.1Å; V322-Q324 PolarHBondContact O-N 3.48Å; V322-K325 PolarHBondContact O-N 2.53Å; V322-A326 WeakPolarHBondContact O-CB 3.33Å; V322-A326 PolarHBondContact O-N 2.87Å
323A98.1Very high96.9Very high12 Ų1247.1 Ų47.110%0.09924%0.242CC..Hα-helixtrans-60.3-44.4176.500000112L267 Y270 W319 I321 K325 A326 C327L267-A323 WeakPolarHBondContact O-CA 3.3Å; L267-A323 WeakPolarHBondContact O-CB 3.42Å; Y270-A323 HydrophobicContact CD1-CB 3.62Å; Y270-A323 HydrophobicContact CE1-CB 3.72Å; W319-A323 WeakPolarHBondContact O-CB 3.33Å; W319-A323 PolarHBondContact O-N 3.24Å; I321-A323 VanDerWaalsContact C-N 3.35Å; A323-K325 VanDerWaalsContact C-N 3.32Å; A323-K325 PolarHBondContact O-N 3.4Å; A323-A326 PolarHBondContact O-N 2.86Å; A323-C327 WeakPolarHBondContact O-CB 3.36Å; A323-C327 PolarHBondContact O-N 3.47Å
324Q97.7Very high96.9Very high112 Ų11247.1 Ų47.152%0.52324%0.242SC..Hα-helixtrans-59.4-43.5175-173.1-172.318.600111.5D320 I321 V322 C327 Q328D320-Q324 PolarHBondContact O-N 3.03Å; I321-Q324 PolarHBondContact O-N 2.96Å; V322-Q324 PolarHBondContact O-N 3.48Å; Q324-C327 PolarHBondContact O-N 3.41Å; Q324-Q328 WeakPolarHBondContact O-CG 3.22Å; Q324-Q328 PolarHBondContact O-N 2.91Å
325K97.8Very high96.9Very high29 Ų2947.2 Ų47.213%0.12624%0.242CC..Hα-helixtrans-69.5-34177.2-64.3-56.7179.4-167.40112.5W216 V221 I321 V322 A323 Q328 C329W216-K325 HydrophobicContact CZ2-CB 4.01Å; V221-K325 HydrophobicContact CG1-CG 4.37Å; V221-K325 HydrophobicContact CG2-CB 3.85Å; V221-K325 HydrophobicContact CG2-CG 4.11Å; I321-K325 WeakPolarHBondContact O-CG 3.37Å; I321-K325 PolarHBondContact O-N 3.05Å; V322-K325 PolarHBondContact O-N 2.53Å; A323-K325 VanDerWaalsContact C-N 3.32Å; A323-K325 PolarHBondContact O-N 3.4Å; K325-Q328 PolarHBondContact O-N 3.47Å; K325-C329 WeakPolarHBondContact O-CB 3.41Å; K325-C329 PolarHBondContact O-N 3.38Å
326A98Very high97Very high0 Ų046.9 Ų46.90%024%0.238CC..Hα-helixtrans-65.8-45.1174.800000110.8W216 M264 L267 Q268 V322 A323 Q328 C329 L330W216-A326 HydrophobicContact CH2-CB 4.28Å; W216-A326 HydrophobicContact CZ2-CB 4.18Å; M264-A326 HydrophobicContact CB-CB 4.34Å; M264-A326 HydrophobicContact SD-CB 3.93Å; L267-A326 HydrophobicContact CB-CB 3.7Å; L267-A326 HydrophobicContact CD1-CB 4.27Å; Q268-A326 HydrophobicContact CG-CB 4.46Å; V322-A326 WeakPolarHBondContact O-CB 3.33Å; V322-A326 PolarHBondContact O-N 2.87Å; A323-A326 PolarHBondContact O-N 2.86Å; A326-Q328 VanDerWaalsContact C-N 3.28Å; A326-Q328 PolarHBondContact O-N 3.48Å; A326-C329 WeakPolarHBondContact O-CA 3.17Å; A326-C329 VanDerWaalsContact O-CB 3.27Å; A326-C329 WeakPolarHBondContact O-CB 3.46Å; A326-C329 PolarHBondContact O-N 3.06Å; A326-L330 WeakPolarHBondContact O-CG 3.44Å; A326-L330 PolarHBondContact O-N 3.38Å
327C97.6Very high97Very high41 Ų4146.5 Ų46.528%0.27722%0.22SC..Hα-helixtrans-59.3-37.5173.6-172.80000112.5Q268 A323 Q324Q268-C327 HydrophobicContact CG-CB 4.34Å; Q268-C327 PolarHBondContact OE1-SG 3.34Å; A323-C327 WeakPolarHBondContact O-CB 3.36Å; A323-C327 PolarHBondContact O-N 3.47Å; Q324-C327 PolarHBondContact O-N 3.41Å
328Q97.3Very high96.7Very high69 Ų6948.9 Ų48.932%0.32224%0.238SC..Hα-helixtrans-67.2-41.1173-73.1175.1-3.500112.1Q324 K325 A326 K331 Q332Q324-Q328 WeakPolarHBondContact O-CG 3.22Å; Q324-Q328 PolarHBondContact O-N 2.91Å; K325-Q328 PolarHBondContact O-N 3.47Å; A326-Q328 VanDerWaalsContact C-N 3.28Å; A326-Q328 PolarHBondContact O-N 3.48Å; Q328-K331 PolarHBondContact O-N 2.74Å; Q328-Q332 WeakPolarHBondContact O-CG 3.21Å; Q328-Q332 PolarHBondContact O-NE2 3.17Å; Q328-Q332 VanDerWaalsContact O-NE2 3.08Å
329C97.7Very high96.4Very high0 Ų053.2 Ų53.20%026%0.255CS..Hα-helixtrans-62.1-41.5179.7-168.90000112.4Y8 W216 F260 M264 K325 A326 K331 Q332Y8-C329 HydrophobicContact CE1-CB 4.07Å; Y8-C329 VanDerWaalsContact CE1-SG 3.55Å; W216-C329 PolarHBondContact NE1-SG 3.33Å; W216-C329 VanDerWaalsContact NE1-SG 3.43Å; F260-C329 VanDerWaalsContact CE1-SG 3.59Å; M264-C329 HydrophobicContact CG-CB 4.35Å; M264-C329 HydrophobicContact SD-CB 4.07Å; K325-C329 WeakPolarHBondContact O-CB 3.41Å; K325-C329 PolarHBondContact O-N 3.38Å; A326-C329 WeakPolarHBondContact O-CA 3.17Å; A326-C329 VanDerWaalsContact O-CB 3.27Å; A326-C329 WeakPolarHBondContact O-CB 3.46Å; A326-C329 PolarHBondContact O-N 3.06Å; C329-K331 PolarHBondContact O-N 3.5Å; C329-K331 VanDerWaalsContact O-N 3.11Å; C329-Q332 VanDerWaalsContact O-CB 3.28Å; C329-Q332 WeakPolarHBondContact O-CB 3.47Å; C329-Q332 WeakPolarHBondContact O-CG 3.46Å; C329-Q332 PolarHBondContact O-N 3.13Å
330L97.4Very high96Very high24 Ų2461.1 Ų61.113%0.12629%0.291CS..THydrogen-bonded Turntrans-63.5-16.3179.6-73.9164000113.8T261 M264 D265 Q268 A326 C335 Y336T261-L330 HydrophobicContact CG2-CD2 3.5Å; T261-L330 VanDerWaalsContact CG2-CD2 3.5Å; M264-L330 HydrophobicContact CB-CD1 3.98Å; M264-L330 HydrophobicContact CB-CD2 3.7Å; M264-L330 HydrophobicContact CB-CG 3.68Å; D265-L330 VanDerWaalsContact OD1-CD1 3.24Å; D265-L330 WeakPolarHBondContact OD1-CD1 3.41Å; Q268-L330 HydrophobicContact CG-CD1 4.21Å; A326-L330 WeakPolarHBondContact O-CG 3.44Å; A326-L330 PolarHBondContact O-N 3.38Å; L330-C335 HydrophobicContact CD2-CB 4.48Å; L330-Y336 VanDerWaalsContact O-CE2 3.27Å; L330-Y336 WeakPolarHBondContact O-CE2 3.48Å
331K96.6Very high95.8Very high144 Ų14462.1 Ų62.163%0.62630%0.297SS*.THydrogen-bonded Turntrans-93.23175.6-60.8174.5-175.9178.50113.1Q328 C329Q328-K331 PolarHBondContact O-N 2.74Å; C329-K331 PolarHBondContact O-N 3.5Å; C329-K331 VanDerWaalsContact O-N 3.11Å
332Q96.9Very high95.8Very high61 Ų6165.2 Ų65.229%0.28532%0.318SS..SBendtrans-100.2160.4-176.2-51.7-61.2-45.500111.2Y8 Q328 C329 C334 C335 Y336Y8-Q332 HydrophobicContact CD1-CB 3.97Å; Y8-Q332 HydrophobicContact CD1-CG 3.72Å; Y8-Q332 HydrophobicContact CD2-CB 4.4Å; Y8-Q332 HydrophobicContact CD2-CG 3.54Å; Y8-Q332 HydrophobicContact CE1-CG 4Å; Y8-Q332 HydrophobicContact CE2-CG 3.81Å; Y8-Q332 HydrophobicContact CG-CB 3.87Å; Y8-Q332 HydrophobicContact CG-CG 3.48Å; Y8-Q332 VanDerWaalsContact CG-CG 3.48Å; Q328-Q332 WeakPolarHBondContact O-CG 3.21Å; Q328-Q332 PolarHBondContact O-NE2 3.17Å; Q328-Q332 VanDerWaalsContact O-NE2 3.08Å; C329-Q332 VanDerWaalsContact O-CB 3.28Å; C329-Q332 WeakPolarHBondContact O-CB 3.47Å; C329-Q332 WeakPolarHBondContact O-CG 3.46Å; C329-Q332 PolarHBondContact O-N 3.13Å; Q332-C334 PolarHBondContact O-N 2.92Å; Q332-C335 PolarHBondContact O-N 3.47Å; Q332-Y336 VanDerWaalsContact O-CD2 3.26Å; Q332-Y336 WeakPolarHBondContact O-CD2 3.48Å
333V95.9Very high95.6Very high74 Ų7466 Ų6645%0.44832%0.323SS..G310 helixtrans-56.4-25.6-174.7-170.80000113.1Y8 T10 P11 A12 C335 Y336Y8-V333 WeakPolarHBondContact O-CB 3.4Å; Y8-V333 PolarHBondContact O-N 2.93Å; T10-V333 CarbonylContact O-C 3.58Å; P11-V333 HydrophobicContact CB-CG1 4.43Å; P11-V333 HydrophobicContact CG-CG1 4.24Å; A12-V333 PolarHBondContact N-O 3.44Å; V333-C335 PolarHBondContact O-N 3.37Å; V333-Y336 PolarHBondContact O-N 2.94Å
334C96.1Very high95.5Very high0 Ų070.2 Ų70.20%035%0.348CS..G310 helixtrans-67.1-11175.358.90000115.3L7 T10 L15 Q332L7-C334 HydrophobicContact CD1-CB 4.17Å; L7-C334 HydrophobicContact CG-CB 4.46Å; L7-C334 WeakPolarHBondContact O-CB 3.35Å; T10-C334 WeakPolarHBondContact O-CA 3.27Å; T10-C334 WeakPolarHBondContact O-CB 3.32Å; T10-C334 PolarHBondContact O-N 3.19Å; T10-C334 VanDerWaalsContact O-N 3.16Å; L15-C334 HydrophobicContact CD2-CB 4.11Å; Q332-C334 PolarHBondContact O-N 2.92Å
335C96.9Very high95.4Very high2 Ų266.8 Ų66.81%0.01434%0.336CS..G310 helixtrans-116.613.8178.7-66.10000112.7L330 Q332 V333 V343L330-C335 HydrophobicContact CD2-CB 4.48Å; Q332-C335 PolarHBondContact O-N 3.47Å; V333-C335 PolarHBondContact O-N 3.37Å; C335-V343 PolarHBondContact O-N 3.06Å
336Y95.7Very high95.3Very high72 Ų7266.6 Ų66.628%0.28234%0.335SS..BIsolated β-bridgetrans-123.9141.5176.8-70.7-103000111A12 L330 Q332 V333 E340 N341 P342A12-Y336 WeakPolarHBondContact CB-O 3.41Å; L330-Y336 VanDerWaalsContact O-CE2 3.27Å; L330-Y336 WeakPolarHBondContact O-CE2 3.48Å; Q332-Y336 VanDerWaalsContact O-CD2 3.26Å; Q332-Y336 WeakPolarHBondContact O-CD2 3.48Å; V333-Y336 PolarHBondContact O-N 2.94Å; Y336-E340 WeakPolarHBondContact CD1-O 3.29Å; Y336-N341 CarbonylContact C-O 3.12Å; Y336-N341 VanDerWaalsContact CA-O 3.3Å; Y336-N341 WeakPolarHBondContact CA-O 3.33Å; Y336-P342 HydrophobicContact CD1-CG 4.34Å; Y336-P342 HydrophobicContact CE1-CB 4.44Å; Y336-P342 HydrophobicContact CE1-CG 3.81Å
337D92.4Very high95Very high58 Ų5874 Ų7431%0.3137%0.374SS..  trans-72175.3173.476.47.1000111.6R339 E340 N341D337-R339 PolarHBondContact O-N 2.91Å; D337-R339 VanDerWaalsContact OD1-CA 3.24Å; D337-R339 WeakPolarHBondContact OD1-CA 3.23Å; D337-R339 WeakPolarHBondContact OD1-CB 3.24Å; D337-R339 PolarHBondContact OD1-N 2.99Å; D337-E340 PolarHBondContact O-N 3.2Å; D337-E340 VanDerWaalsContact O-N 3.12Å; D337-E340 PolarHBondContact OD1-N 3.16Å; D337-N341 PolarHBondContact N-O 3.21Å; D337-N341 PolarHBondContact OD1-N 3.4Å; D337-N341 PolarHBondContact OD2-ND2 3.29Å
338N89.6Confident94.5Very high125 Ų12572.3 Ų72.367%0.66836%0.363SS*.THydrogen-bonded Turntrans-67.8-4.5179.8-60.8-20.2000113.6S13S13-N338 PolarHBondContact OG-OD1 3.09Å
339R90.9Very high93.8Very high209 Ų20973.6 Ų73.679%0.78937%0.367SS*.THydrogen-bonded Turntrans-109.914.5178.4-58.8179.9-176.6-173.12.2111.6D337 N341D337-R339 PolarHBondContact O-N 2.91Å; D337-R339 VanDerWaalsContact OD1-CA 3.24Å; D337-R339 WeakPolarHBondContact OD1-CA 3.23Å; D337-R339 WeakPolarHBondContact OD1-CB 3.24Å; D337-R339 PolarHBondContact OD1-N 2.99Å; R339-N341 WeakPolarHBondContact CB-ND2 3.31Å; R339-N341 PolarHBondContact O-N 2.87Å
340E90Very high92.9Very high168 Ų16876.4 Ų76.479%0.78538%0.378SS*.SBendtrans62.122.6-179.1-53.1-176.3171.200114.4Y336 D337Y336-E340 WeakPolarHBondContact CD1-O 3.29Å; D337-E340 PolarHBondContact O-N 3.2Å; D337-E340 VanDerWaalsContact O-N 3.12Å; D337-E340 PolarHBondContact OD1-N 3.16Å
341N94.2Very high91.9Very high83 Ų8375.3 Ų75.344%0.44437%0.372SS..PPolyproline II helixtrans-89.8141.3169.5-54.5-66.8000110.2Y336 D337 R339 V343Y336-N341 CarbonylContact C-O 3.12Å; Y336-N341 VanDerWaalsContact CA-O 3.3Å; Y336-N341 WeakPolarHBondContact CA-O 3.33Å; D337-N341 PolarHBondContact N-O 3.21Å; D337-N341 PolarHBondContact OD1-N 3.4Å; D337-N341 PolarHBondContact OD2-ND2 3.29Å; R339-N341 WeakPolarHBondContact CB-ND2 3.31Å; R339-N341 PolarHBondContact O-N 2.87Å; N341-V343 PolarHBondContact O-N 2.74Å
342P95.9Very high91.1Very high86 Ų8671.3 Ų71.356%0.55835%0.353SS*.BIsolated β-bridgetrans-56.4133.2169.6-22.332.4000110.9Y336Y336-P342 HydrophobicContact CD1-CG 4.34Å; Y336-P342 HydrophobicContact CE1-CB 4.44Å; Y336-P342 HydrophobicContact CE1-CG 3.81Å
343V95.9Very high90.6Very high16 Ų1670.8 Ų70.810%0.09735%0.353CS..PPolyproline II helixtrans-62.1137.4173.3174.70000108.9A12 D257 E258 C335 N341A12-V343 HydrophobicContact CB-CG2 3.62Å; D257-V343 HydrophobicContact CB-CG1 4.13Å; D257-V343 HydrophobicContact CB-CG2 4.34Å; E258-V343 HydrophobicContact CB-CG1 4.43Å; E258-V343 HydrophobicContact CG-CG1 3.96Å; C335-V343 PolarHBondContact O-N 3.06Å; N341-V343 PolarHBondContact O-N 2.74Å
344T94.7Very high90.2Very high101 Ų10167.4 Ų67.462%0.6233%0.332SS*.PPolyproline II helixtrans-78130.8179.950.30000111.2E258E258-T344 WeakPolarHBondContact CG-O 3.4Å
345S95.3Very high89.9Confident40 Ų4072.1 Ų72.128%0.2835%0.354SS..PPolyproline II helixtrans-80153.7172.5-65.90000112.4T261 T262 D265T261-S345 WeakPolarHBondContact CG2-OG 3.48Å; T262-S345 PolarHBondContact N-OG 3.32Å; T262-S345 WeakPolarHBondContact OG1-CA 3.36Å; D265-S345 VanDerWaalsContact OD2-CB 3.23Å; D265-S345 WeakPolarHBondContact OD2-CB 3.21Å; D265-S345 PolarHBondContact OD2-OG 3.2Å
346W96.1Very high89.7Confident26 Ų2672 Ų7210%0.09835%0.353CS..PPolyproline II helixtrans-65.7152.7172.1-56.1-32.1000111.8L209 W244 T248 F254 E258 T262 V348L209-W346 HydrophobicContact CD2-CH2 4.29Å; W244-W346 HydrophobicContact CB-CZ3 4.07Å; T248-W346 HydrophobicContact CG2-CD2 3.7Å; T248-W346 VanDerWaalsContact CG2-CE2 3.5Å; T248-W346 HydrophobicContact CG2-CE3 3.84Å; T248-W346 HydrophobicContact CG2-CG 4.45Å; T248-W346 HydrophobicContact CG2-CH2 3.6Å; T248-W346 HydrophobicContact CG2-CZ2 3.47Å; T248-W346 VanDerWaalsContact CG2-CZ2 3.47Å; T248-W346 HydrophobicContact CG2-CZ3 3.81Å; F254-W346 HydrophobicContact CB-CH2 4.36Å; F254-W346 HydrophobicContact CB-CZ2 3.81Å; F254-W346 AromaticContact CD2-CH2 3.52Å; F254-W346 HydrophobicContact CD2-CH2 3.52Å; F254-W346 AromaticContact CD2-CZ2 3.46Å; F254-W346 HydrophobicContact CD2-CZ2 3.46Å; F254-W346 VanDerWaalsContact CD2-CZ2 3.46Å; F254-W346 AromaticContact CE2-CH2 3.92Å; F254-W346 HydrophobicContact CE2-CH2 3.92Å; F254-W346 HydrophobicContact CE2-CZ2 4.28Å; F254-W346 AromaticContact CG-CH2 3.96Å; F254-W346 HydrophobicContact CG-CH2 3.96Å; F254-W346 AromaticContact CG-CZ2 3.85Å; F254-W346 HydrophobicContact CG-CZ2 3.85Å; E258-W346 HydrophobicContact CB-CZ2 4.44Å; E258-W346 PolarHBondContact OE2-NE1 2.76Å; T262-W346 HydrophobicContact CG2-CB 4.07Å; T262-W346 HydrophobicContact CG2-CE3 4.06Å; T262-W346 PolarHBondContact OG1-N 2.96Å; W346-V348 VanDerWaalsContact C-N 3.3Å; W346-V348 HydrophobicContact CB-CG2 4.03Å; W346-V348 PolarHBondContact O-N 2.86Å
347N91.1Very high89.6Confident154 Ų15469.1 Ų69.182%0.82434%0.343SS*.  trans-78.177.1175.9-174.316.7000111.5
348V88Confident89.6Confident6 Ų666.4 Ų66.44%0.03633%0.328CS..  trans-94.5120.2-177.9177.80000111.8Y242 A243 M246 T262 L266 W346 R350Y242-V348 HydrophobicContact CD1-CG1 4.08Å; Y242-V348 HydrophobicContact CE1-CG1 3.71Å; A243-V348 WeakPolarHBondContact O-CG2 3.49Å; M246-V348 HydrophobicContact CB-CG1 3.97Å; T262-V348 HydrophobicContact CG2-CB 4.33Å; T262-V348 HydrophobicContact CG2-CG2 3.52Å; L266-V348 HydrophobicContact CD1-CG1 4.14Å; L266-V348 HydrophobicContact CD2-CB 4.5Å; L266-V348 HydrophobicContact CD2-CG1 4.04Å; W346-V348 VanDerWaalsContact C-N 3.3Å; W346-V348 HydrophobicContact CB-CG2 4.03Å; W346-V348 PolarHBondContact O-N 2.86Å; V348-R350 PolarHBondContact O-N 2.92Å; V348-R350 PolarHBondContact O-NH1 2.83Å
349K81.4Confident89.8Confident97 Ų9763.1 Ų63.142%0.42231%0.309SS..  trans-65.4133.1171-62.2178.3-177.6170.30110.2Y242 A351 D353Y242-K349 WeakPolarHBondContact CE1-O 3.43Å; Y242-K349 VanDerWaalsContact CZ-O 3.31Å; Y242-K349 PolarHBondContact OH-O 2.99Å; K349-A351 WeakPolarHBondContact CB-O 3.49Å; K349-A351 PolarHBondContact O-N 3.27Å; K349-D353 IonicContact NZ-OD1 3.42Å; K349-D353 IonicContact NZ-OD2 2.67Å; K349-D353 PolarHBondContact NZ-OD2 2.89Å
350R79.1Confident89.8Confident58 Ų5854.5 Ų54.522%0.21928%0.278CS..SBendtrans-71.7-11.6179.4-53.4-57-175.2-124.812.5114.3L266 E269 V272 C274 V348L266-R350 VanDerWaalsContact CD2-CD 3.47Å; L266-R350 VanDerWaalsContact CD2-NH1 3.3Å; E269-R350 IonicContact OE1-CZ 3.68Å; E269-R350 IonicContact OE1-NE 3.4Å; E269-R350 IonicContact OE1-NH2 3.14Å; E269-R350 PolarHBondContact OE1-NH2 3.07Å; E269-R350 IonicContact OE2-NE 3.72Å; V272-R350 HydrophobicContact CG2-CB 4.24Å; V272-R350 HydrophobicContact CG2-CG 4.11Å; C274-R350 PolarHBondContact N-O 3.11Å; V348-R350 PolarHBondContact O-N 2.92Å; V348-R350 PolarHBondContact O-NH1 2.83Å
351A77.9Confident89.6Confident2 Ų256.6 Ų56.62%0.01728%0.278CS..BIsolated β-bridgetrans-152.2158.6168.800000110.5C274 K349 P372 Y373C274-A351 HydrophobicContact CB-CB 4.2Å; K349-A351 WeakPolarHBondContact CB-O 3.49Å; K349-A351 PolarHBondContact O-N 3.27Å; A351-P372 HydrophobicContact CB-CG 4.42Å; A351-Y373 HydrophobicContact CB-CD2 3.84Å; A351-Y373 HydrophobicContact CB-CE2 3.22Å
352R78.9Confident89.1Confident59 Ų5956.4 Ų56.422%0.22330%0.296CS..  trans-69145.7177.1-68.3-175.6170.8-160.7-5.3111.1Y242 E245 Y276 P372Y242-R352 HydrophobicContact CE2-CG 4.19Å; E245-R352 IonicContact OE2-NH2 2.78Å; E245-R352 PolarHBondContact OE2-NH2 3.12Å; Y276-R352 PolarHBondContact O-NE 3.33Å; R352-P372 WeakPolarHBondContact O-CD 3.47Å
353D86.4Confident88.6Confident51 Ų5158.9 Ų58.927%0.27330%0.295SS..  trans-66.9149166.7-65.1-20.9000109.5K349 I369 V370 N371K349-D353 IonicContact NZ-OD1 3.42Å; K349-D353 IonicContact NZ-OD2 2.67Å; K349-D353 PolarHBondContact NZ-OD2 2.89Å; D353-I369 HydrophobicContact CB-CG2 3.41Å; D353-I369 VanDerWaalsContact CB-CG2 3.41Å; D353-V370 CarbonylContact C-O 3.55Å; D353-V370 WeakPolarHBondContact CA-O 3.49Å; D353-N371 WeakPolarHBondContact OD1-CA 3.48Å; D353-N371 WeakPolarHBondContact OD1-CB 3.39Å
354I87.5Confident88.3Confident3 Ų363.3 Ų63.32%0.01532%0.324CS..EExtended strand (participates in β ladder)trans-116.3148-179.660165.6000110.1V356 V370 P372 L413 I418 F419I354-V356 HydrophobicContact CD1-CG2 4.23Å; I354-V356 HydrophobicContact CG1-CG2 4.35Å; I354-V370 HydrophobicContact CD1-CG2 4.34Å; I354-V370 HydrophobicContact CG1-CG2 3.75Å; I354-V370 WeakPolarHBondContact CG1-O 3.42Å; I354-V370 PolarHBondContact N-O 3Å; I354-V370 PolarHBondContact O-N 2.88Å; I354-P372 HydrophobicContact CD1-CB 4.08Å; I354-P372 HydrophobicContact CG1-CB 4.32Å; I354-P372 HydrophobicContact CG2-CG 4.37Å; I354-L413 HydrophobicContact CD1-CB 4.42Å; I354-L413 HydrophobicContact CD1-CD1 3.85Å; I354-I418 HydrophobicContact CD1-CG2 3.77Å; I354-F419 VanDerWaalsContact CG2-O 3.29Å; I354-F419 WeakPolarHBondContact CG2-O 3.35Å
355H89.9Confident88.3Confident99 Ų9963 Ų6346%0.45832%0.318SS..EExtended strand (participates in β ladder)trans-82125.3172.3-71.4-89.1000109.7L368 H421 T422H355-L368 CarbonylContact C-O 3.58Å; H355-L368 WeakPolarHBondContact CA-O 3.32Å; H355-H421 WeakPolarHBondContact CB-ND1 3.42Å; H355-H421 VanDerWaalsContact O-CA 3.26Å; H355-H421 WeakPolarHBondContact O-CA 3.32Å; H355-H421 PolarHBondContact O-ND1 3.29Å; H355-T422 PolarHBondContact O-N 2.91Å
356V92.4Very high88.1Confident0 Ų062.6 Ų62.60%031%0.312CS..EExtended strand (participates in β ladder)trans-115.6120174.3171.30000108.6I354 V358 N367 L368 V370 L413 T422 I424I354-V356 HydrophobicContact CD1-CG2 4.23Å; I354-V356 HydrophobicContact CG1-CG2 4.35Å; V356-V358 HydrophobicContact CG1-CG2 4.11Å; V356-N367 CarbonylContact O-C 3.47Å; V356-N367 WeakPolarHBondContact O-CA 3.06Å; V356-L368 PolarHBondContact N-O 3Å; V356-L368 PolarHBondContact O-N 3Å; V356-V370 HydrophobicContact CB-CG2 4.34Å; V356-V370 HydrophobicContact CG2-CG2 3.48Å; V356-V370 VanDerWaalsContact CG2-CG2 3.48Å; V356-L413 HydrophobicContact CG2-CD1 3.93Å; V356-T422 WeakPolarHBondContact CA-O 3.48Å; V356-T422 HydrophobicContact CG2-CG2 4Å; V356-I424 HydrophobicContact CG1-CB 4.1Å; V356-I424 HydrophobicContact CG1-CD1 3.48Å; V356-I424 VanDerWaalsContact CG1-CD1 3.48Å; V356-I424 HydrophobicContact CG1-CG1 3.78Å; V356-I424 HydrophobicContact CG2-CD1 4.36Å
357T93.6Very high88Confident10 Ų1066.4 Ų66.46%0.06133%0.334CS..EExtended strand (participates in β ladder)trans-85.3123.3169.4-600000108.7E359 D365 N367 H421 T422 H423 I424T357-E359 HydrophobicContact CG2-CG 4.5Å; T357-D365 HydrophobicContact CG2-CB 3.96Å; T357-N367 WeakPolarHBondContact CB-OD1 3.35Å; T357-N367 PolarHBondContact OG1-OD1 2.81Å; T357-H421 PolarHBondContact OG1-CE1 3.27Å; T357-T422 PolarHBondContact N-O 3.29Å; T357-H423 CarbonylContact O-C 3.59Å; T357-H423 WeakPolarHBondContact O-CA 3.5Å; T357-I424 PolarHBondContact O-N 3.38Å
358V93.5Very high88.1Confident1 Ų159.7 Ų59.71%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-101.7112.8179.5-1770000109.2V356 D365 F366 L368 I383 I424 L426V356-V358 HydrophobicContact CG1-CG2 4.11Å; V358-D365 WeakPolarHBondContact O-CA 3.26Å; V358-F366 HydrophobicContact CB-CD1 4.11Å; V358-F366 HydrophobicContact CB-CE1 3.62Å; V358-F366 HydrophobicContact CB-CE2 4.16Å; V358-F366 HydrophobicContact CB-CZ 3.66Å; V358-F366 HydrophobicContact CG1-CE1 3.67Å; V358-F366 HydrophobicContact CG1-CZ 3.78Å; V358-F366 HydrophobicContact CG2-CE1 4.45Å; V358-F366 HydrophobicContact CG2-CE2 4.16Å; V358-F366 HydrophobicContact CG2-CZ 3.99Å; V358-F366 PolarHBondContact N-O 2.82Å; V358-F366 PolarHBondContact O-N 2.95Å; V358-L368 HydrophobicContact CG2-CD1 3.93Å; V358-L368 HydrophobicContact CG2-CG 4.34Å; V358-I383 HydrophobicContact CG1-CD1 4.16Å; V358-I383 HydrophobicContact CG2-CD1 4.05Å; V358-I383 HydrophobicContact CG2-CG1 4.18Å; V358-I424 CarbonylContact C-O 3.51Å; V358-I424 WeakPolarHBondContact CA-O 3.41Å; V358-L426 HydrophobicContact CG1-CB 3.79Å; V358-L426 HydrophobicContact CG1-CD2 4.34Å
359E93.2Very high88.3Confident56 Ų5663.9 Ų63.926%0.26232%0.319SS..EExtended strand (participates in β ladder)trans-96.3138.5179.7-61176.4178.800110.4T357 D365 H423 I424 Y425 L426T357-E359 HydrophobicContact CG2-CG 4.5Å; E359-D365 WeakPolarHBondContact CA-OD1 3.39Å; E359-H423 IonicContact OE1-CE1 3.3Å; E359-H423 IonicContact OE1-CG 3.07Å; E359-H423 IonicContact OE1-ND1 2.68Å; E359-H423 PolarHBondContact OE1-ND1 3.3Å; E359-I424 PolarHBondContact N-O 2.85Å; E359-Y425 HydrophobicContact CB-CD2 3.99Å; E359-Y425 WeakPolarHBondContact O-CA 3.48Å; E359-L426 PolarHBondContact O-N 2.95Å
360Q89.9Confident88.7Confident28 Ų2859.2 Ų59.213%0.13130%0.299CS..  trans-147.5137.8169.7179.9177.4-0.300109.6G362 Y363 L426Q360-G362 PolarHBondContact O-N 2.89Å; Q360-Y363 HydrophobicContact CG-CD2 3.95Å; Q360-Y363 PolarHBondContact O-N 3.07Å; Q360-L426 HydrophobicContact CB-CB 4.47Å
361R86.1Confident89.1Confident213 Ų21358.2 Ų58.280%0.80430%0.298SS*.THydrogen-bonded Turntrans-59.4128.8177.3-172.1177.9-172.9-171.41110.9Y363 Y425R361-Y363 WeakPolarHBondContact O-CD2 3.27Å; R361-Y425 WeakPolarHBondContact CB-OH 3.24Å
362G84.2Confident89.5Confident78 Ų7858.2 Ų58.280%0.80430%0.298SS*.THydrogen-bonded Turntrans84.84.4175.600000115.1Q360Q360-G362 PolarHBondContact O-N 2.89Å
363Y85.8Confident89.7Confident138 Ų13858.4 Ų58.454%0.54130%0.299SS..SBendtrans-132.9151.7178.9-67.3-90.3000110.3Q360 R361Q360-Y363 HydrophobicContact CG-CD2 3.95Å; Q360-Y363 PolarHBondContact O-N 3.07Å; R361-Y363 WeakPolarHBondContact O-CD2 3.27Å
364P89.6Confident89.7Confident109 Ų10958 Ų5871%0.70830%0.295SS*.  trans-64.1143.9172.127.9-34000110.4R387P364-R387 PolarHBondContact O-NH2 3.3Å
365D93.6Very high89.7Confident94 Ų9459.6 Ų59.650%0.50331%0.306SS..  trans-66.1148.4172.5-59.6-22.1000109.8T357 V358 E359T357-D365 HydrophobicContact CG2-CB 3.96Å; V358-D365 WeakPolarHBondContact O-CA 3.26Å; E359-D365 WeakPolarHBondContact CA-OD1 3.39Å
366F92.8Very high89.7Confident33 Ų3354.9 Ų54.915%0.14528%0.284CS..EExtended strand (participates in β ladder)trans-140.5155.4176.570.5-83.3000111.3V358 L368 I383 T386 R387V358-F366 HydrophobicContact CB-CD1 4.11Å; V358-F366 HydrophobicContact CB-CE1 3.62Å; V358-F366 HydrophobicContact CB-CE2 4.16Å; V358-F366 HydrophobicContact CB-CZ 3.66Å; V358-F366 HydrophobicContact CG1-CE1 3.67Å; V358-F366 HydrophobicContact CG1-CZ 3.78Å; V358-F366 HydrophobicContact CG2-CE1 4.45Å; V358-F366 HydrophobicContact CG2-CE2 4.16Å; V358-F366 HydrophobicContact CG2-CZ 3.99Å; V358-F366 PolarHBondContact N-O 2.82Å; V358-F366 PolarHBondContact O-N 2.95Å; F366-L368 HydrophobicContact CD2-CD2 4.2Å; F366-L368 HydrophobicContact CD2-CG 4.13Å; F366-L368 HydrophobicContact CE2-CD1 3.92Å; F366-L368 HydrophobicContact CE2-CD2 3.83Å; F366-L368 HydrophobicContact CE2-CG 3.7Å; F366-I383 HydrophobicContact CZ-CG1 4.22Å; F366-I383 HydrophobicContact CZ-CG2 4.25Å; F366-T386 HydrophobicContact CD2-CG2 3.81Å; F366-T386 HydrophobicContact CE2-CG2 3.85Å; F366-R387 HydrophobicContact CE1-CB 4.48Å; F366-R387 HydrophobicContact CE1-CG 4.35Å; F366-R387 HydrophobicContact CZ-CB 4.46Å
367N93.6Very high89.3Confident105 Ų10562 Ų6256%0.56131%0.311SS*.EExtended strand (participates in β ladder)trans-104.5138.1-174.6-65.2-35.4000111.3V356 T357V356-N367 CarbonylContact O-C 3.47Å; V356-N367 WeakPolarHBondContact O-CA 3.06Å; T357-N367 WeakPolarHBondContact CB-OD1 3.35Å; T357-N367 PolarHBondContact OG1-OD1 2.81Å
368L92.5Very high89.1Confident14 Ų1465.5 Ų65.57%0.07333%0.326CS..EExtended strand (participates in β ladder)trans-119.6144.5172.4-67.7178.3000110.4H355 V356 V358 F366 V370 K382 I383H355-L368 CarbonylContact C-O 3.58Å; H355-L368 WeakPolarHBondContact CA-O 3.32Å; V356-L368 PolarHBondContact N-O 3Å; V356-L368 PolarHBondContact O-N 3Å; V358-L368 HydrophobicContact CG2-CD1 3.93Å; V358-L368 HydrophobicContact CG2-CG 4.34Å; F366-L368 HydrophobicContact CD2-CD2 4.2Å; F366-L368 HydrophobicContact CD2-CG 4.13Å; F366-L368 HydrophobicContact CE2-CD1 3.92Å; F366-L368 HydrophobicContact CE2-CD2 3.83Å; F366-L368 HydrophobicContact CE2-CG 3.7Å; L368-V370 HydrophobicContact CB-CG1 4.07Å; L368-K382 HydrophobicContact CD1-CB 4.33Å; L368-I383 HydrophobicContact CD1-CD1 4.36Å; L368-I383 HydrophobicContact CD1-CG1 3.45Å; L368-I383 VanDerWaalsContact CD1-CG1 3.45Å
369I91.7Very high88.9Confident93 Ų9365.5 Ų65.548%0.47733%0.325SS..EExtended strand (participates in β ladder)trans-99.9118.6168.2-60.2176.8000107.7D353 K382D353-I369 HydrophobicContact CB-CG2 3.41Å; D353-I369 VanDerWaalsContact CB-CG2 3.41Å; I369-K382 PolarHBondContact O-NZ 3.04Å; I369-K382 VanDerWaalsContact O-NZ 3.12Å
370V90.3Very high88.7Confident0 Ų064.4 Ų64.40%032%0.32CS..EExtended strand (participates in β ladder)trans-133.3139.8-174.6-58.90000110.7D353 I354 V356 L368 V379 K382 L413D353-V370 CarbonylContact C-O 3.55Å; D353-V370 WeakPolarHBondContact CA-O 3.49Å; I354-V370 HydrophobicContact CD1-CG2 4.34Å; I354-V370 HydrophobicContact CG1-CG2 3.75Å; I354-V370 WeakPolarHBondContact CG1-O 3.42Å; I354-V370 PolarHBondContact N-O 3Å; I354-V370 PolarHBondContact O-N 2.88Å; V356-V370 HydrophobicContact CB-CG2 4.34Å; V356-V370 HydrophobicContact CG2-CG2 3.48Å; V356-V370 VanDerWaalsContact CG2-CG2 3.48Å; L368-V370 HydrophobicContact CB-CG1 4.07Å; V370-V379 HydrophobicContact CB-CG2 4.37Å; V370-V379 HydrophobicContact CG1-CG1 4.39Å; V370-V379 HydrophobicContact CG1-CG2 4.15Å; V370-K382 HydrophobicContact CG1-CD 4.1Å; V370-L413 HydrophobicContact CG2-CD1 3.45Å; V370-L413 VanDerWaalsContact CG2-CD1 3.45Å
371N87.3Confident88.5Confident36 Ų3667.5 Ų67.519%0.19333%0.334CS..  trans-74.3124.6168.9177.2-33.3000107.7D353 Y373 E374D353-N371 WeakPolarHBondContact OD1-CA 3.48Å; D353-N371 WeakPolarHBondContact OD1-CB 3.39Å; N371-Y373 PolarHBondContact O-N 3.46Å; N371-Y373 WeakPolarHBondContact OD1-CB 3.33Å; N371-Y373 WeakPolarHBondContact OD1-CD2 3.42Å; N371-Y373 PolarHBondContact OD1-N 2.81Å; N371-E374 HydrophobicContact CB-CG 3.94Å; N371-E374 WeakPolarHBondContact O-CB 3.37Å; N371-E374 PolarHBondContact O-N 3.39Å
372P87.5Confident88.7Confident2 Ų260.6 Ų60.61%0.01331%0.31CS..THydrogen-bonded Turntrans-63.7-15.8-174.824-32.8000113.9A351 R352 I354 S412 L413 A414 F419A351-P372 HydrophobicContact CB-CG 4.42Å; R352-P372 WeakPolarHBondContact O-CD 3.47Å; I354-P372 HydrophobicContact CD1-CB 4.08Å; I354-P372 HydrophobicContact CG1-CB 4.32Å; I354-P372 HydrophobicContact CG2-CG 4.37Å; P372-S412 WeakPolarHBondContact O-CB 3.41Å; P372-L413 HydrophobicContact CB-CB 4.37Å; P372-L413 PolarHBondContact O-N 2.8Å; P372-L413 VanDerWaalsContact O-N 3.1Å; P372-A414 HydrophobicContact CB-CB 4.39Å; P372-A414 WeakPolarHBondContact O-CB 3.34Å; P372-A414 PolarHBondContact O-N 2.64Å; P372-F419 HydrophobicContact CB-CD1 4.38Å
373Y81.8Confident88.9Confident63 Ų6356.9 Ų56.925%0.24727%0.272CS..THydrogen-bonded Turntrans-89.1-14.5176.7-64.5-80.8000114C274 R300 A351 N371 S412 A414 F419C274-Y373 WeakPolarHBondContact CB-OH 3.41Å; R300-Y373 PolarHBondContact NH1-OH 3.02Å; R300-Y373 PolarHBondContact NH2-OH 3.06Å; A351-Y373 HydrophobicContact CB-CD2 3.84Å; A351-Y373 HydrophobicContact CB-CE2 3.22Å; N371-Y373 PolarHBondContact O-N 3.46Å; N371-Y373 WeakPolarHBondContact OD1-CB 3.33Å; N371-Y373 WeakPolarHBondContact OD1-CD2 3.42Å; N371-Y373 PolarHBondContact OD1-N 2.81Å; Y373-S412 WeakPolarHBondContact O-CB 3.38Å; Y373-A414 HydrophobicContact CD1-CB 3.99Å; Y373-A414 HydrophobicContact CE1-CB 3.7Å; Y373-F419 WeakPolarHBondContact OH-CE1 3.17Å
374E86.3Confident88.9Confident42 Ų4256.7 Ų56.720%0.19627%0.27CS..SBendtrans-65.2136.7176-77-170132.500110.1N371 I376 K378 K382 S412N371-E374 HydrophobicContact CB-CG 3.94Å; N371-E374 WeakPolarHBondContact O-CB 3.37Å; N371-E374 PolarHBondContact O-N 3.39Å; E374-I376 PolarHBondContact O-N 2.85Å; E374-K378 HydrophobicContact CB-CB 4.38Å; E374-K378 HydrophobicContact CB-CD 4.09Å; E374-K378 HydrophobicContact CG-CD 3.94Å; E374-K378 WeakPolarHBondContact OE1-CD 3.41Å; E374-K378 IonicContact OE1-NZ 2.64Å; E374-K378 PolarHBondContact OE1-NZ 3.14Å; E374-K382 IonicContact OE2-NZ 3.98Å; E374-K382 PolarHBondContact OE2-NZ 3.38Å; E374-S412 WeakPolarHBondContact O-CB 3.49Å
375P87.8Confident88.7Confident38 Ų3861.6 Ų61.625%0.24727%0.274CS..BIsolated β-bridgetrans-55.1140.8172.3-28.736.6000111.1R377 K378 C411P375-R377 HydrophobicContact CB-CG 3.66Å; P375-R377 PolarHBondContact O-N 2.96Å; P375-K378 WeakPolarHBondContact O-CB 3.26Å; P375-K378 PolarHBondContact O-N 2.82Å; P375-C411 CarbonylContact C-O 3.59Å; P375-C411 WeakPolarHBondContact CA-O 3.24Å
376I89.6Confident88.4Confident0 Ų061.2 Ų61.20%028%0.276CS..Hα-helixtrans-55.3-26179.7-67.4-67.4000111.7E374 K378 V379 K380 L395 L407 S408 C411 L413E374-I376 PolarHBondContact O-N 2.85Å; I376-K378 VanDerWaalsContact C-N 3.26Å; I376-K378 PolarHBondContact O-N 3.33Å; I376-V379 HydrophobicContact CD1-CG2 4.4Å; I376-V379 WeakPolarHBondContact O-CA 3.39Å; I376-V379 WeakPolarHBondContact O-CB 3.48Å; I376-V379 PolarHBondContact O-N 3.21Å; I376-V379 VanDerWaalsContact O-N 3.07Å; I376-K380 HydrophobicContact CG2-CD 4.48Å; I376-K380 HydrophobicContact CG2-CG 4.36Å; I376-K380 WeakPolarHBondContact O-CG 3.5Å; I376-K380 PolarHBondContact O-N 2.97Å; I376-L395 HydrophobicContact CG2-CD1 4.01Å; I376-L407 HydrophobicContact CD1-CB 4.38Å; I376-L407 HydrophobicContact CD1-CD1 4.28Å; I376-L407 HydrophobicContact CG1-CB 4.35Å; I376-L407 HydrophobicContact CG2-CB 4.14Å; I376-S408 WeakPolarHBondContact CB-O 3.37Å; I376-C411 VanDerWaalsContact CG1-O 3.23Å; I376-C411 WeakPolarHBondContact CG1-O 3.41Å; I376-C411 PolarHBondContact N-O 3.4Å; I376-L413 HydrophobicContact CD1-CD2 3.48Å; I376-L413 VanDerWaalsContact CD1-CD2 3.48Å; I376-L413 HydrophobicContact CD1-CG 3.63Å
377R84.9Confident87.9Confident149 Ų14962.2 Ų62.256%0.56228%0.279SS*.Hα-helixtrans-52.8-40.3169.258.1168.8-176.1-178.91.9113.2P375 K380 E381 S409P375-R377 HydrophobicContact CB-CG 3.66Å; P375-R377 PolarHBondContact O-N 2.96Å; R377-K380 WeakPolarHBondContact O-CB 3.42Å; R377-K380 PolarHBondContact O-N 3.17Å; R377-E381 WeakPolarHBondContact O-CG 3.48Å; R377-E381 PolarHBondContact O-N 2.85Å; R377-S409 PolarHBondContact N-O 3.12Å
378K88.3Confident87Confident84 Ų8460.1 Ų60.137%0.36528%0.281SS..Hα-helixtrans-69.9-35176.5-70.8-166176.6-169.30111.8E374 P375 I376 E381 K382E374-K378 HydrophobicContact CB-CB 4.38Å; E374-K378 HydrophobicContact CB-CD 4.09Å; E374-K378 HydrophobicContact CG-CD 3.94Å; E374-K378 WeakPolarHBondContact OE1-CD 3.41Å; E374-K378 IonicContact OE1-NZ 2.64Å; E374-K378 PolarHBondContact OE1-NZ 3.14Å; P375-K378 WeakPolarHBondContact O-CB 3.26Å; P375-K378 PolarHBondContact O-N 2.82Å; I376-K378 VanDerWaalsContact C-N 3.26Å; I376-K378 PolarHBondContact O-N 3.33Å; K378-E381 PolarHBondContact O-N 2.65Å; K378-K382 WeakPolarHBondContact O-CG 3.37Å; K378-K382 PolarHBondContact O-N 3.42Å
379V89.6Confident86Confident0 Ų059.7 Ų59.70%028%0.279CS..Hα-helixtrans-63.1-44.3172.8-1780000110.2V370 I376 E381 K382 I383 L395 L413V370-V379 HydrophobicContact CB-CG2 4.37Å; V370-V379 HydrophobicContact CG1-CG1 4.39Å; V370-V379 HydrophobicContact CG1-CG2 4.15Å; I376-V379 HydrophobicContact CD1-CG2 4.4Å; I376-V379 WeakPolarHBondContact O-CA 3.39Å; I376-V379 WeakPolarHBondContact O-CB 3.48Å; I376-V379 PolarHBondContact O-N 3.21Å; I376-V379 VanDerWaalsContact O-N 3.07Å; V379-E381 PolarHBondContact O-N 3.1Å; V379-K382 WeakPolarHBondContact O-CB 3.35Å; V379-K382 PolarHBondContact O-N 2.78Å; V379-I383 HydrophobicContact CG1-CD1 4.18Å; V379-I383 WeakPolarHBondContact O-CG1 3.36Å; V379-I383 PolarHBondContact O-N 3.27Å; V379-L395 HydrophobicContact CG1-CD1 4.31Å; V379-L413 HydrophobicContact CG2-CD1 4.47Å
380K88.8Confident84.9Confident34 Ų3459.5 Ų59.515%0.14829%0.287CS..Hα-helixtrans-61.3-40.7174.4-69.8-180178.8-173.20112.7I376 R377 I383 R384 Q393 L395 S409I376-K380 HydrophobicContact CG2-CD 4.48Å; I376-K380 HydrophobicContact CG2-CG 4.36Å; I376-K380 WeakPolarHBondContact O-CG 3.5Å; I376-K380 PolarHBondContact O-N 2.97Å; R377-K380 WeakPolarHBondContact O-CB 3.42Å; R377-K380 PolarHBondContact O-N 3.17Å; K380-I383 PolarHBondContact O-N 3.01Å; K380-R384 WeakPolarHBondContact O-CB 3.37Å; K380-R384 PolarHBondContact O-N 2.91Å; K380-Q393 VanDerWaalsContact CB-OE1 3.23Å; K380-Q393 HydrophobicContact CD-CB 4.32Å; K380-Q393 WeakPolarHBondContact CE-O 3.36Å; K380-Q393 HydrophobicContact CG-CB 4.36Å; K380-Q393 PolarHBondContact NZ-O 2.87Å; K380-Q393 PolarHBondContact O-NE2 2.94Å; K380-Q393 PolarHBondContact O-OE1 2.79Å; K380-Q393 VanDerWaalsContact O-OE1 3.11Å; K380-L395 HydrophobicContact CD-CD1 4.45Å; K380-L395 HydrophobicContact CG-CD1 3.55Å; K380-L395 HydrophobicContact CG-CG 4.08Å; K380-S409 PolarHBondContact NZ-OG 3.15Å
381E86.6Confident84Confident92 Ų9259.7 Ų59.743%0.4329%0.288SS..Hα-helixtrans-62.4-42.9173.5-72.9164.9-162.500112R377 K378 V379 R384 R385R377-E381 WeakPolarHBondContact O-CG 3.48Å; R377-E381 PolarHBondContact O-N 2.85Å; K378-E381 PolarHBondContact O-N 2.65Å; V379-E381 PolarHBondContact O-N 3.1Å; E381-R384 WeakPolarHBondContact O-CB 3.39Å; E381-R384 PolarHBondContact O-N 2.87Å; E381-R385 WeakPolarHBondContact O-CG 3.4Å; E381-R385 PolarHBondContact O-N 2.84Å
382K90.3Very high83.6Confident68 Ų6862.7 Ų62.730%0.29630%0.304SS..Hα-helixtrans-60.4-48.7173.5-76.2176.7173.1177.30111.2L368 I369 V370 E374 K378 V379 R384 R385 T386L368-K382 HydrophobicContact CD1-CB 4.33Å; I369-K382 PolarHBondContact O-NZ 3.04Å; I369-K382 VanDerWaalsContact O-NZ 3.12Å; V370-K382 HydrophobicContact CG1-CD 4.1Å; E374-K382 IonicContact OE2-NZ 3.98Å; E374-K382 PolarHBondContact OE2-NZ 3.38Å; K378-K382 WeakPolarHBondContact O-CG 3.37Å; K378-K382 PolarHBondContact O-N 3.42Å; V379-K382 WeakPolarHBondContact O-CB 3.35Å; V379-K382 PolarHBondContact O-N 2.78Å; K382-R384 VanDerWaalsContact C-N 3.29Å; K382-R384 PolarHBondContact O-N 3.28Å; K382-R385 PolarHBondContact O-N 3.04Å; K382-R385 VanDerWaalsContact O-N 3.14Å; K382-T386 PolarHBondContact O-N 3.45Å; K382-T386 PolarHBondContact O-OG1 3.12Å; K382-T386 VanDerWaalsContact O-OG1 3.1Å
383I88.1Confident83.4Confident0 Ų063 Ų630%031%0.305CS..Hα-helixtrans-55.6-45174.7-70.2171.4000111V358 F366 L368 V379 K380 R385 T386 R387 L395 L426V358-I383 HydrophobicContact CG1-CD1 4.16Å; V358-I383 HydrophobicContact CG2-CD1 4.05Å; V358-I383 HydrophobicContact CG2-CG1 4.18Å; F366-I383 HydrophobicContact CZ-CG1 4.22Å; F366-I383 HydrophobicContact CZ-CG2 4.25Å; L368-I383 HydrophobicContact CD1-CD1 4.36Å; L368-I383 HydrophobicContact CD1-CG1 3.45Å; L368-I383 VanDerWaalsContact CD1-CG1 3.45Å; V379-I383 HydrophobicContact CG1-CD1 4.18Å; V379-I383 WeakPolarHBondContact O-CG1 3.36Å; V379-I383 PolarHBondContact O-N 3.27Å; K380-I383 PolarHBondContact O-N 3.01Å; I383-R385 VanDerWaalsContact C-N 3.34Å; I383-R385 PolarHBondContact O-N 2.9Å; I383-T386 PolarHBondContact O-N 3.01Å; I383-R387 WeakPolarHBondContact O-CB 3.34Å; I383-R387 PolarHBondContact O-N 2.87Å; I383-L395 HydrophobicContact CD1-CD1 3.84Å; I383-L395 HydrophobicContact CD1-CD2 3.61Å; I383-L395 HydrophobicContact CD1-CG 4.37Å; I383-L426 HydrophobicContact CG2-CD2 3.61Å
384R86.4Confident83.7Confident135 Ų13565.1 Ų65.151%0.50931%0.313SS..Hα-helixtrans-59.3-44.3177.9179.2172.9-70.7172.9-1.6111.7K380 E381 K382 G388 C389K380-R384 WeakPolarHBondContact O-CB 3.37Å; K380-R384 PolarHBondContact O-N 2.91Å; E381-R384 WeakPolarHBondContact O-CB 3.39Å; E381-R384 PolarHBondContact O-N 2.87Å; K382-R384 VanDerWaalsContact C-N 3.29Å; K382-R384 PolarHBondContact O-N 3.28Å; R384-G388 VanDerWaalsContact O-CA 3.27Å; R384-G388 WeakPolarHBondContact O-CA 3.5Å; R384-G388 PolarHBondContact O-N 2.81Å; R384-C389 WeakPolarHBondContact CG-O 3.34Å; R384-C389 PolarHBondContact NE-O 3.04Å
385R85.6Confident83.9Confident211 Ų21163.1 Ų63.180%0.79630%0.303SS*.Hα-helixtrans-67.4-38.6178.9-69.7175.6-174.3-175.32.5112.4E381 K382 I383E381-R385 WeakPolarHBondContact O-CG 3.4Å; E381-R385 PolarHBondContact O-N 2.84Å; K382-R385 PolarHBondContact O-N 3.04Å; K382-R385 VanDerWaalsContact O-N 3.14Å; I383-R385 VanDerWaalsContact C-N 3.34Å; I383-R385 PolarHBondContact O-N 2.9Å
386T85.9Confident84.1Confident87 Ų8762 Ų6253%0.53430%0.296SS..Hα-helixtrans-77.7-40.8-177.7-550000112.7F366 K382 I383F366-T386 HydrophobicContact CD2-CG2 3.81Å; F366-T386 HydrophobicContact CE2-CG2 3.85Å; K382-T386 PolarHBondContact O-N 3.45Å; K382-T386 PolarHBondContact O-OG1 3.12Å; K382-T386 VanDerWaalsContact O-OG1 3.1Å; I383-T386 PolarHBondContact O-N 3.01Å
387R82.2Confident84.1Confident54 Ų5462.3 Ų62.320%0.20430%0.298CS..Hα-helixtrans-104.2-10.2-172.5-147-174-148.4149.712.9114.4P364 F366 I383P364-R387 PolarHBondContact O-NH2 3.3Å; F366-R387 HydrophobicContact CE1-CB 4.48Å; F366-R387 HydrophobicContact CE1-CG 4.35Å; F366-R387 HydrophobicContact CZ-CB 4.46Å; I383-R387 WeakPolarHBondContact O-CB 3.34Å; I383-R387 PolarHBondContact O-N 2.87Å
388G76.3Confident84.1Confident60 Ų6059.8 Ų59.862%0.61929%0.293SS*.  trans71.927-178.300000114.1R384 S390R384-G388 VanDerWaalsContact O-CA 3.27Å; R384-G388 WeakPolarHBondContact O-CA 3.5Å; R384-G388 PolarHBondContact O-N 2.81Å; G388-S390 PolarHBondContact O-N 2.93Å
389C71.3Confident83.4Confident5 Ų557.5 Ų57.53%0.03428%0.284CS..  trans-63.6116.7-178.1-66.50000112.7R384 Q393 E428R384-C389 WeakPolarHBondContact CG-O 3.34Å; R384-C389 PolarHBondContact NE-O 3.04Å; C389-Q393 HydrophobicContact CB-CG 4.36Å; C389-E428 VanDerWaalsContact C-OE1 3.28Å; C389-E428 WeakPolarHBondContact CA-OE1 3.14Å; C389-E428 VanDerWaalsContact CB-OE1 3.24Å; C389-E428 WeakPolarHBondContact CB-OE1 3.44Å; C389-E428 PolarHBondContact SG-OE2 3.38Å
390S68.4Low82.5Confident90 Ų9063.3 Ų63.363%0.62932%0.322SS*.  trans-92.9-19.2177.260.40000113.1G388 E428G388-S390 PolarHBondContact O-N 2.93Å; S390-E428 PolarHBondContact N-OE1 3.43Å
391G71.4Confident81.6Confident3 Ų366.2 Ų66.23%0.03136%0.361CS..SBendtrans-87.3-178.2-178.400000115.2Q393 E428G391-Q393 PolarHBondContact O-N 2.82Å; G391-E428 WeakPolarHBondContact CA-OE1 3.48Å; G391-E428 PolarHBondContact N-OE1 2.74Å
392L78.3Confident81.2Confident99 Ų9963.6 Ų63.652%0.51835%0.353SS..EExtended strand (participates in β ladder)trans-77.4119.8174.4-176.673.1000110T429L392-T429 PolarHBondContact N-O 2.93Å; L392-T429 PolarHBondContact O-N 3.47Å; L392-T429 PolarHBondContact O-OG1 3.04Å
393Q83.9Confident80.9Confident9 Ų968.2 Ų68.24%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-88.1122.6179.3-60.4178.812.900112.1K380 C389 G391 L426K380-Q393 VanDerWaalsContact CB-OE1 3.23Å; K380-Q393 HydrophobicContact CD-CB 4.32Å; K380-Q393 WeakPolarHBondContact CE-O 3.36Å; K380-Q393 HydrophobicContact CG-CB 4.36Å; K380-Q393 PolarHBondContact NZ-O 2.87Å; K380-Q393 PolarHBondContact O-NE2 2.94Å; K380-Q393 PolarHBondContact O-OE1 2.79Å; K380-Q393 VanDerWaalsContact O-OE1 3.11Å; C389-Q393 HydrophobicContact CB-CG 4.36Å; G391-Q393 PolarHBondContact O-N 2.82Å; Q393-L426 HydrophobicContact CB-CD1 3.8Å; Q393-L426 HydrophobicContact CG-CD1 3.9Å
394R88.6Confident80.9Confident107 Ų10773.9 Ų73.940%0.40440%0.397SS..EExtended strand (participates in β ladder)trans-108.8118.6165.9-66.3-173.3177.287.4-2.5108.7L406 L427 T429R394-L406 HydrophobicContact CB-CD1 4.31Å; R394-L427 HydrophobicContact CB-CB 4.27Å; R394-L427 HydrophobicContact CB-CD2 4.4Å; R394-L427 PolarHBondContact N-O 3.3Å; R394-L427 PolarHBondContact O-N 2.87Å; R394-T429 PolarHBondContact NH1-OG1 3.36Å
395L90.8Very high81Confident0 Ų073 Ų730%040%0.397CS..EExtended strand (participates in β ladder)trans-104.9136.6178.6-60.9-179000109.1I376 V379 K380 I383 L406 L407 I424 Y425 L426I376-L395 HydrophobicContact CG2-CD1 4.01Å; V379-L395 HydrophobicContact CG1-CD1 4.31Å; K380-L395 HydrophobicContact CD-CD1 4.45Å; K380-L395 HydrophobicContact CG-CD1 3.55Å; K380-L395 HydrophobicContact CG-CG 4.08Å; I383-L395 HydrophobicContact CD1-CD1 3.84Å; I383-L395 HydrophobicContact CD1-CD2 3.61Å; I383-L395 HydrophobicContact CD1-CG 4.37Å; L395-L406 WeakPolarHBondContact O-CD1 3.3Å; L395-L407 HydrophobicContact CB-CB 4.09Å; L395-L407 HydrophobicContact CB-CD1 3.99Å; L395-L407 WeakPolarHBondContact O-CB 3.17Å; L395-L407 PolarHBondContact O-N 3.39Å; L395-I424 HydrophobicContact CB-CG2 3.92Å; L395-I424 HydrophobicContact CD2-CG2 4.23Å; L395-I424 HydrophobicContact CG-CG2 4.49Å; L395-Y425 WeakPolarHBondContact CA-O 3.48Å; L395-L426 HydrophobicContact CD2-CB 3.97Å; L395-L426 HydrophobicContact CD2-CD1 3.55Å; L395-L426 HydrophobicContact CD2-CG 4.34Å
396S91.6Very high81.2Confident15 Ų1568.4 Ų68.411%0.10539%0.388CS..EExtended strand (participates in β ladder)trans-140152.3175.6610000110.4R404 K405 I424 Y425S396-R404 PolarHBondContact OG-NH1 3.35Å; S396-K405 CarbonylContact C-O 3.36Å; S396-K405 WeakPolarHBondContact CA-O 3.46Å; S396-K405 WeakPolarHBondContact CB-O 3Å; S396-I424 CarbonylContact O-C 3.58Å; S396-I424 WeakPolarHBondContact O-CA 3.2Å; S396-I424 WeakPolarHBondContact O-CG2 3.35Å; S396-Y425 PolarHBondContact N-O 2.78Å; S396-Y425 PolarHBondContact O-N 2.83Å
397F89.9Confident81.3Confident7 Ų764.4 Ų64.43%0.03136%0.363CS..EExtended strand (participates in β ladder)trans-132.1159.3174.582-70.9000109.7L399 K405 L407 Y416 I418 I424F397-L399 HydrophobicContact CD2-CD2 4.16Å; F397-L399 HydrophobicContact CD2-CG 4.3Å; F397-L399 HydrophobicContact CE2-CD1 4.38Å; F397-L399 HydrophobicContact CE2-CD2 4.08Å; F397-L399 HydrophobicContact CE2-CG 3.92Å; F397-K405 HydrophobicContact CD1-CB 4.03Å; F397-K405 HydrophobicContact CE1-CB 3.58Å; F397-K405 HydrophobicContact CE1-CD 4.27Å; F397-K405 HydrophobicContact CE1-CG 4.47Å; F397-K405 HydrophobicContact CZ-CB 4.25Å; F397-K405 HydrophobicContact CZ-CD 4.17Å; F397-K405 PolarHBondContact N-O 3.21Å; F397-K405 PolarHBondContact O-N 3.47Å; F397-L407 HydrophobicContact CD1-CD1 4.42Å; F397-L407 HydrophobicContact CD1-CD2 3.43Å; F397-L407 VanDerWaalsContact CD1-CD2 3.43Å; F397-L407 HydrophobicContact CD1-CG 3.95Å; F397-L407 HydrophobicContact CE1-CD2 3.7Å; F397-L407 HydrophobicContact CG-CD2 4.42Å; F397-Y416 AromaticContact CE1-CD1 3.78Å; F397-Y416 HydrophobicContact CE1-CD1 3.78Å; F397-Y416 AromaticContact CE1-CG 3.94Å; F397-Y416 HydrophobicContact CE1-CG 3.94Å; F397-Y416 HydrophobicContact CZ-CD1 4.26Å; F397-Y416 HydrophobicContact CZ-CG 4.33Å; F397-I418 HydrophobicContact CD1-CD1 4.11Å; F397-I418 HydrophobicContact CD2-CD1 3.7Å; F397-I418 HydrophobicContact CD2-CG1 4.22Å; F397-I418 HydrophobicContact CE1-CD1 4.18Å; F397-I418 HydrophobicContact CE2-CD1 3.79Å; F397-I418 HydrophobicContact CE2-CG1 3.97Å; F397-I418 HydrophobicContact CG-CD1 3.86Å; F397-I418 HydrophobicContact CZ-CD1 4.03Å; F397-I418 HydrophobicContact CZ-CG1 4.37Å; F397-I424 HydrophobicContact CB-CG1 4.27Å
398Q84Confident81.6Confident96 Ų9664.2 Ų64.245%0.44937%0.37SS..  trans-143.6123.1178.6-173172.24.900108.5S402 R404Q398-S402 VanDerWaalsContact CG-O 3.28Å; Q398-S402 WeakPolarHBondContact CG-O 3.32Å; Q398-S402 PolarHBondContact NE2-O 2.71Å; Q398-R404 HydrophobicContact CB-CB 4.35Å; Q398-R404 HydrophobicContact CG-CB 4.46Å
399L74Confident81.9Confident35 Ų3563.6 Ų63.618%0.18336%0.356CS..  trans-82.4152.8170.6-58.6-179.4000108.8F397 G401 S402F397-L399 HydrophobicContact CD2-CD2 4.16Å; F397-L399 HydrophobicContact CD2-CG 4.3Å; F397-L399 HydrophobicContact CE2-CD1 4.38Å; F397-L399 HydrophobicContact CE2-CD2 4.08Å; F397-L399 HydrophobicContact CE2-CG 3.92Å; L399-G401 PolarHBondContact O-N 3.49Å; L399-S402 WeakPolarHBondContact CB-OG 3.46Å; L399-S402 PolarHBondContact N-OG 2.94Å; L399-S402 VanDerWaalsContact N-OG 3.08Å; L399-S402 PolarHBondContact O-N 3.11Å; L399-S402 PolarHBondContact O-OG 3.44Å
400P70.3Confident82.5Confident122 Ų12274.2 Ų74.279%0.79240%0.396SS*.THydrogen-bonded Turntrans-52.3126.5173.3-26.134.7000111S402P400-S402 VanDerWaalsContact C-N 3.27Å; P400-S402 PolarHBondContact O-N 2.83Å
401G69.4Low83.3Confident95 Ų9571.6 Ų71.698%0.97938%0.377SS*.THydrogen-bonded Turntrans74.84.7-179.100000115.8L399L399-G401 PolarHBondContact O-N 3.49Å
402S78.2Confident84.1Confident37 Ų3772 Ų7226%0.25938%0.379SS..SBendtrans-106.6159.8174.685.90000112.6Q398 L399 P400Q398-S402 VanDerWaalsContact CG-O 3.28Å; Q398-S402 WeakPolarHBondContact CG-O 3.32Å; Q398-S402 PolarHBondContact NE2-O 2.71Å; L399-S402 WeakPolarHBondContact CB-OG 3.46Å; L399-S402 PolarHBondContact N-OG 2.94Å; L399-S402 VanDerWaalsContact N-OG 3.08Å; L399-S402 PolarHBondContact O-N 3.11Å; L399-S402 PolarHBondContact O-OG 3.44Å; P400-S402 VanDerWaalsContact C-N 3.27Å; P400-S402 PolarHBondContact O-N 2.83Å
403E84.4Confident84.6Confident166 Ų16667.3 Ų67.378%0.77636%0.355SS*.  trans-64.6153.3165.8-66.7-174.1171.800111.3
404R87.7Confident84.6Confident119 Ų11967.4 Ų67.445%0.44936%0.357SS..  trans-71.5126.9174.7177.8168.8-70.9-118.50.6109.9S396 Q398 Y425S396-R404 PolarHBondContact OG-NH1 3.35Å; Q398-R404 HydrophobicContact CB-CB 4.35Å; Q398-R404 HydrophobicContact CG-CB 4.46Å; R404-Y425 VanDerWaalsContact NH1-CG 3.28Å
405K88.4Confident84.4Confident117 Ų11768.7 Ų68.751%0.50937%0.368SS..EExtended strand (participates in β ladder)trans-109.6134.3-179.7-66.9-175.6-179.6-176.50111.1S396 F397S396-K405 CarbonylContact C-O 3.36Å; S396-K405 WeakPolarHBondContact CA-O 3.46Å; S396-K405 WeakPolarHBondContact CB-O 3Å; F397-K405 HydrophobicContact CD1-CB 4.03Å; F397-K405 HydrophobicContact CE1-CB 3.58Å; F397-K405 HydrophobicContact CE1-CD 4.27Å; F397-K405 HydrophobicContact CE1-CG 4.47Å; F397-K405 HydrophobicContact CZ-CB 4.25Å; F397-K405 HydrophobicContact CZ-CD 4.17Å; F397-K405 PolarHBondContact N-O 3.21Å; F397-K405 PolarHBondContact O-N 3.47Å
406L89.6Confident84.1Confident114 Ų11471.3 Ų71.360%0.59738%0.378SS*.EExtended strand (participates in β ladder)trans-78.9134.3173.8-170.973.6000110.4R394 L395 Y416R394-L406 HydrophobicContact CB-CD1 4.31Å; L395-L406 WeakPolarHBondContact O-CD1 3.3Å; L406-Y416 PolarHBondContact O-OH 2.84Å
407L88.9Confident83.4Confident2 Ų271.2 Ų71.21%0.0138%0.379CS..EExtended strand (participates in β ladder)trans-89.8113.1178.2-62.5173.1000110.4I376 L395 F397 L413 Y416 I418 I424I376-L407 HydrophobicContact CD1-CB 4.38Å; I376-L407 HydrophobicContact CD1-CD1 4.28Å; I376-L407 HydrophobicContact CG1-CB 4.35Å; I376-L407 HydrophobicContact CG2-CB 4.14Å; L395-L407 HydrophobicContact CB-CB 4.09Å; L395-L407 HydrophobicContact CB-CD1 3.99Å; L395-L407 WeakPolarHBondContact O-CB 3.17Å; L395-L407 PolarHBondContact O-N 3.39Å; F397-L407 HydrophobicContact CD1-CD1 4.42Å; F397-L407 HydrophobicContact CD1-CD2 3.43Å; F397-L407 VanDerWaalsContact CD1-CD2 3.43Å; F397-L407 HydrophobicContact CD1-CG 3.95Å; F397-L407 HydrophobicContact CE1-CD2 3.7Å; F397-L407 HydrophobicContact CG-CD2 4.42Å; L407-L413 HydrophobicContact CD1-CD2 4.36Å; L407-Y416 HydrophobicContact CB-CE2 4.44Å; L407-Y416 HydrophobicContact CD2-CD1 4.1Å; L407-Y416 HydrophobicContact CD2-CD2 3.33Å; L407-Y416 HydrophobicContact CD2-CE1 4.24Å; L407-Y416 HydrophobicContact CD2-CE2 3.49Å; L407-Y416 VanDerWaalsContact CD2-CE2 3.49Å; L407-Y416 HydrophobicContact CD2-CG 3.66Å; L407-I418 HydrophobicContact CD2-CD1 4.49Å; L407-I424 HydrophobicContact CD1-CD1 3.7Å; L407-I424 HydrophobicContact CD1-CG1 4.17Å; L407-I424 HydrophobicContact CD1-CG2 3.75Å
408S88.1Confident83.2Confident50 Ų5071.2 Ų71.235%0.3538%0.379SS..  trans-72.3133176.8174.80000110.7I376 R410 C411 Y416I376-S408 WeakPolarHBondContact CB-O 3.37Å; S408-R410 PolarHBondContact O-N 3.31Å; S408-R410 VanDerWaalsContact O-N 3.09Å; S408-R410 PolarHBondContact OG-N 3.22Å; S408-C411 PolarHBondContact O-N 2.9Å; S408-Y416 WeakPolarHBondContact CB-OH 3.46Å; S408-Y416 PolarHBondContact N-OH 2.88Å
409S83.6Confident82.9Confident48 Ų4867.1 Ų67.134%0.33636%0.36SS..THydrogen-bonded Turntrans-59-24179.7-57.70000113.9R377 K380R377-S409 PolarHBondContact N-O 3.12Å; K380-S409 PolarHBondContact NZ-OG 3.15Å
410R82.3Confident83.2Confident228 Ų22865.9 Ų65.986%0.8635%0.354SS*.THydrogen-bonded Turntrans-85-22179.9-62.3-174.1-177-138.71.4113.1S408S408-R410 PolarHBondContact O-N 3.31Å; S408-R410 VanDerWaalsContact O-N 3.09Å; S408-R410 PolarHBondContact OG-N 3.22Å
411C86.4Confident83.9Confident35 Ų3564.2 Ų64.224%0.23634%0.336CS..SBendtrans-86.1168.5-178.3-66.40000111.1P375 I376 S408 Y416P375-C411 CarbonylContact C-O 3.59Å; P375-C411 WeakPolarHBondContact CA-O 3.24Å; I376-C411 VanDerWaalsContact CG1-O 3.23Å; I376-C411 WeakPolarHBondContact CG1-O 3.41Å; I376-C411 PolarHBondContact N-O 3.4Å; S408-C411 PolarHBondContact O-N 2.9Å; C411-Y416 HydrophobicContact CB-CD2 4.44Å; C411-Y416 HydrophobicContact CB-CE2 3.52Å
412S88.3Confident84.8Confident12 Ų1260.3 Ų60.38%0.08429%0.293CS..BIsolated β-bridgetrans-109.1164171.268.70000111.3P372 Y373 E374 A414 Q415 Y416P372-S412 WeakPolarHBondContact O-CB 3.41Å; Y373-S412 WeakPolarHBondContact O-CB 3.38Å; E374-S412 WeakPolarHBondContact O-CB 3.49Å; S412-A414 PolarHBondContact O-N 3.42Å; S412-Q415 PolarHBondContact O-N 3.36Å; S412-Q415 PolarHBondContact OG-N 3.36Å; S412-Y416 WeakPolarHBondContact O-CD2 3.4Å
413L88.9Confident85.4Confident0 Ų062.8 Ų62.80%030%0.3CS..THydrogen-bonded Turntrans-60.6-37.3175.5-71.5171.4000111.4I354 V356 V370 P372 I376 V379 L407 Q415 Y416 G417 I418 I424I354-L413 HydrophobicContact CD1-CB 4.42Å; I354-L413 HydrophobicContact CD1-CD1 3.85Å; V356-L413 HydrophobicContact CG2-CD1 3.93Å; V370-L413 HydrophobicContact CG2-CD1 3.45Å; V370-L413 VanDerWaalsContact CG2-CD1 3.45Å; P372-L413 HydrophobicContact CB-CB 4.37Å; P372-L413 PolarHBondContact O-N 2.8Å; P372-L413 VanDerWaalsContact O-N 3.1Å; I376-L413 HydrophobicContact CD1-CD2 3.48Å; I376-L413 VanDerWaalsContact CD1-CD2 3.48Å; I376-L413 HydrophobicContact CD1-CG 3.63Å; V379-L413 HydrophobicContact CG2-CD1 4.47Å; L407-L413 HydrophobicContact CD1-CD2 4.36Å; L413-Q415 VanDerWaalsContact C-N 3.3Å; L413-Q415 PolarHBondContact O-N 3.02Å; L413-Y416 CarbonylContact O-C 3.58Å; L413-Y416 WeakPolarHBondContact O-CA 3.42Å; L413-Y416 WeakPolarHBondContact O-CB 3.49Å; L413-Y416 PolarHBondContact O-N 3.24Å; L413-G417 PolarHBondContact O-N 3.46Å; L413-I418 CarbonylContact C-O 3.51Å; L413-I418 HydrophobicContact CB-CB 4.04Å; L413-I418 HydrophobicContact CB-CG2 4.28Å; L413-I418 HydrophobicContact CD2-CB 4.48Å; L413-I418 HydrophobicContact CD2-CD1 3.72Å; L413-I418 HydrophobicContact CD2-CG2 4.38Å; L413-I418 WeakPolarHBondContact O-CB 3.47Å; L413-I418 PolarHBondContact O-N 3.3Å; L413-I424 HydrophobicContact CD2-CD1 3.65Å
414A84.1Confident85.8Confident11 Ų1155 Ų559%0.09126%0.263CS..G310 helixtrans-55.5-41.1174.400000112.8P372 Y373 S412 Y416 G417 F419P372-A414 HydrophobicContact CB-CB 4.39Å; P372-A414 WeakPolarHBondContact O-CB 3.34Å; P372-A414 PolarHBondContact O-N 2.64Å; Y373-A414 HydrophobicContact CD1-CB 3.99Å; Y373-A414 HydrophobicContact CE1-CB 3.7Å; S412-A414 PolarHBondContact O-N 3.42Å; A414-Y416 PolarHBondContact O-N 3.45Å; A414-G417 WeakPolarHBondContact O-CA 3.46Å; A414-G417 PolarHBondContact O-N 2.72Å; A414-F419 VanDerWaalsContact CA-CZ 3.48Å; A414-F419 HydrophobicContact CB-CD1 4.19Å; A414-F419 HydrophobicContact CB-CE1 3.26Å; A414-F419 HydrophobicContact CB-CZ 3.57Å; A414-F419 VanDerWaalsContact O-CZ 3.25Å; A414-F419 WeakPolarHBondContact O-CZ 3.24Å
415Q83.8Confident86Confident134 Ų13452.2 Ų52.263%0.62625%0.253SS*.G310 helixtrans-66.7-21.4177.9-72.6174.7-3900113.3S412 L413 G417S412-Q415 PolarHBondContact O-N 3.36Å; S412-Q415 PolarHBondContact OG-N 3.36Å; L413-Q415 VanDerWaalsContact C-N 3.3Å; L413-Q415 PolarHBondContact O-N 3.02Å; Q415-G417 VanDerWaalsContact C-N 3.3Å
416Y83.3Confident86.1Confident55 Ų5546.6 Ų46.622%0.21623%0.229CC..G310 helixtrans-89.64.4171.8-67.5-74000113F397 L406 L407 S408 C411 S412 L413 A414 I418F397-Y416 AromaticContact CE1-CD1 3.78Å; F397-Y416 HydrophobicContact CE1-CD1 3.78Å; F397-Y416 AromaticContact CE1-CG 3.94Å; F397-Y416 HydrophobicContact CE1-CG 3.94Å; F397-Y416 HydrophobicContact CZ-CD1 4.26Å; F397-Y416 HydrophobicContact CZ-CG 4.33Å; L406-Y416 PolarHBondContact O-OH 2.84Å; L407-Y416 HydrophobicContact CB-CE2 4.44Å; L407-Y416 HydrophobicContact CD2-CD1 4.1Å; L407-Y416 HydrophobicContact CD2-CD2 3.33Å; L407-Y416 HydrophobicContact CD2-CE1 4.24Å; L407-Y416 HydrophobicContact CD2-CE2 3.49Å; L407-Y416 VanDerWaalsContact CD2-CE2 3.49Å; L407-Y416 HydrophobicContact CD2-CG 3.66Å; S408-Y416 WeakPolarHBondContact CB-OH 3.46Å; S408-Y416 PolarHBondContact N-OH 2.88Å; C411-Y416 HydrophobicContact CB-CD2 4.44Å; C411-Y416 HydrophobicContact CB-CE2 3.52Å; S412-Y416 WeakPolarHBondContact O-CD2 3.4Å; L413-Y416 CarbonylContact O-C 3.58Å; L413-Y416 WeakPolarHBondContact O-CA 3.42Å; L413-Y416 WeakPolarHBondContact O-CB 3.49Å; L413-Y416 PolarHBondContact O-N 3.24Å; A414-Y416 PolarHBondContact O-N 3.45Å; Y416-I418 VanDerWaalsContact C-N 3.33Å
417G78.7Confident86.1Confident12 Ų1245 Ų4512%0.12422%0.221CC..THydrogen-bonded Turntrans74.323.2-177.100000113.6L413 A414 Q415L413-G417 PolarHBondContact O-N 3.46Å; A414-G417 WeakPolarHBondContact O-CA 3.46Å; A414-G417 PolarHBondContact O-N 2.72Å; Q415-G417 VanDerWaalsContact C-N 3.3Å
418I84.5Confident85.9Confident7 Ų747 Ų474%0.03623%0.23CC..  trans-99.9105.2-178.4-56.5169.6000108.6I354 F397 L407 L413 Y416 T422I354-I418 HydrophobicContact CD1-CG2 3.77Å; F397-I418 HydrophobicContact CD1-CD1 4.11Å; F397-I418 HydrophobicContact CD2-CD1 3.7Å; F397-I418 HydrophobicContact CD2-CG1 4.22Å; F397-I418 HydrophobicContact CE1-CD1 4.18Å; F397-I418 HydrophobicContact CE2-CD1 3.79Å; F397-I418 HydrophobicContact CE2-CG1 3.97Å; F397-I418 HydrophobicContact CG-CD1 3.86Å; F397-I418 HydrophobicContact CZ-CD1 4.03Å; F397-I418 HydrophobicContact CZ-CG1 4.37Å; L407-I418 HydrophobicContact CD2-CD1 4.49Å; L413-I418 CarbonylContact C-O 3.51Å; L413-I418 HydrophobicContact CB-CB 4.04Å; L413-I418 HydrophobicContact CB-CG2 4.28Å; L413-I418 HydrophobicContact CD2-CB 4.48Å; L413-I418 HydrophobicContact CD2-CD1 3.72Å; L413-I418 HydrophobicContact CD2-CG2 4.38Å; L413-I418 WeakPolarHBondContact O-CB 3.47Å; L413-I418 PolarHBondContact O-N 3.3Å; Y416-I418 VanDerWaalsContact C-N 3.33Å; I418-T422 HydrophobicContact CG2-CG2 3.34Å
419F78.1Confident85.3Confident11 Ų1146.9 Ų46.95%0.04823%0.227CC..  trans-130.97.3-176.9-60.8-79.2000113.5Y276 L296 I354 P372 Y373 A414Y276-F419 PolarHBondContact OH-O 2.92Å; L296-F419 HydrophobicContact CB-CB 3.89Å; L296-F419 HydrophobicContact CB-CD2 3.81Å; L296-F419 HydrophobicContact CB-CG 4.01Å; L296-F419 HydrophobicContact CD1-CB 3.56Å; L296-F419 HydrophobicContact CG-CB 4.29Å; L296-F419 WeakPolarHBondContact O-CD2 3.28Å; L296-F419 WeakPolarHBondContact O-CE2 3.27Å; I354-F419 VanDerWaalsContact CG2-O 3.29Å; I354-F419 WeakPolarHBondContact CG2-O 3.35Å; P372-F419 HydrophobicContact CB-CD1 4.38Å; Y373-F419 WeakPolarHBondContact OH-CE1 3.17Å; A414-F419 VanDerWaalsContact CA-CZ 3.48Å; A414-F419 HydrophobicContact CB-CD1 4.19Å; A414-F419 HydrophobicContact CB-CE1 3.26Å; A414-F419 HydrophobicContact CB-CZ 3.57Å; A414-F419 VanDerWaalsContact O-CZ 3.25Å; A414-F419 WeakPolarHBondContact O-CZ 3.24Å
420S80.4Confident84.7Confident8 Ų849.8 Ų49.86%0.05624%0.238CC..SBendtrans-137.3-176.6178.961.60000109.9T422S420-T422 PolarHBondContact O-N 3.2Å
421H85.8Confident83.9Confident88 Ų8840.4 Ų40.441%0.40721%0.206SC..  trans-52.2131.7174.2-172.555.7000111.4H355 T357 H423H355-H421 WeakPolarHBondContact CB-ND1 3.42Å; H355-H421 VanDerWaalsContact O-CA 3.26Å; H355-H421 WeakPolarHBondContact O-CA 3.32Å; H355-H421 PolarHBondContact O-ND1 3.29Å; T357-H421 PolarHBondContact OG1-CE1 3.27Å; H421-H423 AromaticContact NE2-NE2 3.96Å
422T87.4Confident83Confident13 Ų1343.8 Ų43.88%0.0823%0.228CC..EExtended strand (participates in β ladder)trans-145.9153.7178.6-168.50000111.7H355 V356 T357 I418 S420 I424H355-T422 PolarHBondContact O-N 2.91Å; V356-T422 WeakPolarHBondContact CA-O 3.48Å; V356-T422 HydrophobicContact CG2-CG2 4Å; T357-T422 PolarHBondContact N-O 3.29Å; I418-T422 HydrophobicContact CG2-CG2 3.34Å; S420-T422 PolarHBondContact O-N 3.2Å; T422-I424 HydrophobicContact CG2-CD1 4.25Å; T422-I424 HydrophobicContact CG2-CG1 4.04Å
423H90.3Very high82.4Confident89 Ų8949.8 Ų49.841%0.41226%0.255SS..EExtended strand (participates in β ladder)trans-93.9131.7169.6-65.7-108.6000109.5T357 E359 H421T357-H423 CarbonylContact O-C 3.59Å; T357-H423 WeakPolarHBondContact O-CA 3.5Å; E359-H423 IonicContact OE1-CE1 3.3Å; E359-H423 IonicContact OE1-CG 3.07Å; E359-H423 IonicContact OE1-ND1 2.68Å; E359-H423 PolarHBondContact OE1-ND1 3.3Å; H421-H423 AromaticContact NE2-NE2 3.96Å
424I93.6Very high82.2Confident1 Ų150.6 Ų50.61%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-125.8130.7174.8-61.5-179.9000107.6V356 T357 V358 E359 L395 S396 F397 L407 L413 T422V356-I424 HydrophobicContact CG1-CB 4.1Å; V356-I424 HydrophobicContact CG1-CD1 3.48Å; V356-I424 VanDerWaalsContact CG1-CD1 3.48Å; V356-I424 HydrophobicContact CG1-CG1 3.78Å; V356-I424 HydrophobicContact CG2-CD1 4.36Å; T357-I424 PolarHBondContact O-N 3.38Å; V358-I424 CarbonylContact C-O 3.51Å; V358-I424 WeakPolarHBondContact CA-O 3.41Å; E359-I424 PolarHBondContact N-O 2.85Å; L395-I424 HydrophobicContact CB-CG2 3.92Å; L395-I424 HydrophobicContact CD2-CG2 4.23Å; L395-I424 HydrophobicContact CG-CG2 4.49Å; S396-I424 CarbonylContact O-C 3.58Å; S396-I424 WeakPolarHBondContact O-CA 3.2Å; S396-I424 WeakPolarHBondContact O-CG2 3.35Å; F397-I424 HydrophobicContact CB-CG1 4.27Å; L407-I424 HydrophobicContact CD1-CD1 3.7Å; L407-I424 HydrophobicContact CD1-CG1 4.17Å; L407-I424 HydrophobicContact CD1-CG2 3.75Å; L413-I424 HydrophobicContact CD2-CD1 3.65Å; T422-I424 HydrophobicContact CG2-CD1 4.25Å; T422-I424 HydrophobicContact CG2-CG1 4.04Å
425Y92.1Very high82.4Confident61 Ų6154.5 Ų54.524%0.23928%0.275CS..EExtended strand (participates in β ladder)trans-90.7126.8176.7-166.5-92.8000110.8E359 R361 L395 S396 R404E359-Y425 HydrophobicContact CB-CD2 3.99Å; E359-Y425 WeakPolarHBondContact O-CA 3.48Å; R361-Y425 WeakPolarHBondContact CB-OH 3.24Å; L395-Y425 WeakPolarHBondContact CA-O 3.48Å; S396-Y425 PolarHBondContact N-O 2.78Å; S396-Y425 PolarHBondContact O-N 2.83Å; R404-Y425 VanDerWaalsContact NH1-CG 3.28Å
426L90.9Very high82.8Confident0 Ų048.1 Ų48.10%025%0.245CC..EExtended strand (participates in β ladder)trans-97121.7173.517263.8000110.4V358 E359 Q360 I383 Q393 L395V358-L426 HydrophobicContact CG1-CB 3.79Å; V358-L426 HydrophobicContact CG1-CD2 4.34Å; E359-L426 PolarHBondContact O-N 2.95Å; Q360-L426 HydrophobicContact CB-CB 4.47Å; I383-L426 HydrophobicContact CG2-CD2 3.61Å; Q393-L426 HydrophobicContact CB-CD1 3.8Å; Q393-L426 HydrophobicContact CG-CD1 3.9Å; L395-L426 HydrophobicContact CD2-CB 3.97Å; L395-L426 HydrophobicContact CD2-CD1 3.55Å; L395-L426 HydrophobicContact CD2-CG 4.34Å
427L88.1Confident83.2Confident81 Ų8148.3 Ų48.342%0.42425%0.247SC..EExtended strand (participates in β ladder)trans-108114.8162.3-174.797.5000108.2R394 T429R394-L427 HydrophobicContact CB-CB 4.27Å; R394-L427 HydrophobicContact CB-CD2 4.4Å; R394-L427 PolarHBondContact N-O 3.3Å; R394-L427 PolarHBondContact O-N 2.87Å; L427-T429 HydrophobicContact CD2-CG2 3.77Å; L427-T429 HydrophobicContact CG-CG2 4.35Å
428E85Confident83.9Confident44 Ų4447.8 Ų47.821%0.20624%0.242CC..EExtended strand (participates in β ladder)trans-95.8120.4170.6-176.5169.7-164.800109C389 S390 G391 I430C389-E428 VanDerWaalsContact C-OE1 3.28Å; C389-E428 WeakPolarHBondContact CA-OE1 3.14Å; C389-E428 VanDerWaalsContact CB-OE1 3.24Å; C389-E428 WeakPolarHBondContact CB-OE1 3.44Å; C389-E428 PolarHBondContact SG-OE2 3.38Å; S390-E428 PolarHBondContact N-OE1 3.43Å; G391-E428 WeakPolarHBondContact CA-OE1 3.48Å; G391-E428 PolarHBondContact N-OE1 2.74Å; E428-I430 HydrophobicContact CG-CG1 4.48Å
429T76.3Confident84.3Confident46 Ų4652.2 Ų52.228%0.28226%0.261SS..EExtended strand (participates in β ladder)trans-106.9113170.157.30000108.8L392 R394 L427 P431L392-T429 PolarHBondContact N-O 2.93Å; L392-T429 PolarHBondContact O-N 3.47Å; L392-T429 PolarHBondContact O-OG1 3.04Å; R394-T429 PolarHBondContact NH1-OG1 3.36Å; L427-T429 HydrophobicContact CD2-CG2 3.77Å; L427-T429 HydrophobicContact CG-CG2 4.35Å; T429-P431 WeakPolarHBondContact O-CD 3.34Å
430I70.2Confident84.8Confident109 Ų10952.3 Ų52.356%0.55926%0.262SS*.PPolyproline II helixtrans-80.9117.1170-53.8172.6000105.4E428E428-I430 HydrophobicContact CG-CG1 4.48Å
431P64.8Low84.9Confident31 Ų3156.5 Ų56.520%0.20129%0.289CS..PPolyproline II helixtrans-59.2137.717124-28.4000107.7T429 E433 P452T429-P431 WeakPolarHBondContact O-CD 3.34Å; P431-E433 PolarHBondContact O-N 3.09Å; P431-P452 HydrophobicContact CB-CG 3.88Å; P431-P452 HydrophobicContact CG-CG 4.2Å
432P68.6Low84.7Confident106 Ų10658.4 Ų58.469%0.68830%0.302SS*.PPolyproline II helixtrans-53.8138.9178.123.1-31.8000109.1I434 P452P432-I434 PolarHBondContact O-N 3.33Å; P432-P452 WeakPolarHBondContact O-CD 3.44Å
433E76.5Confident84.3Confident139 Ų13960.1 Ų60.165%0.6532%0.322SS*.PPolyproline II helixtrans-56.6130.2167.3-71-176.1167.200107.6P431P431-E433 PolarHBondContact O-N 3.09Å
434I83.8Confident84.1Confident16 Ų1657.4 Ų57.48%0.08232%0.318CS..EExtended strand (participates in β ladder)trans-91.6143.1173.760.1165.2000108P432 V436 I450 P452 L489 I494 D496P432-I434 PolarHBondContact O-N 3.33Å; I434-V436 HydrophobicContact CD1-CG1 3.71Å; I434-V436 HydrophobicContact CG1-CG1 4.11Å; I434-I450 HydrophobicContact CG1-CG2 4.06Å; I434-I450 VanDerWaalsContact CG1-O 3.22Å; I434-I450 WeakPolarHBondContact CG1-O 3.22Å; I434-I450 PolarHBondContact N-O 2.9Å; I434-I450 PolarHBondContact O-N 3.35Å; I434-P452 HydrophobicContact CD1-CB 4.03Å; I434-P452 HydrophobicContact CG1-CB 4.24Å; I434-P452 HydrophobicContact CG2-CB 4.25Å; I434-P452 HydrophobicContact CG2-CG 4.3Å; I434-L489 HydrophobicContact CD1-CD2 4.26Å; I434-I494 HydrophobicContact CD1-CG2 4.44Å; I434-D496 WeakPolarHBondContact CA-OD1 3.4Å; I434-D496 HydrophobicContact CB-CB 4.1Å; I434-D496 HydrophobicContact CG2-CB 3.97Å
435Q88.1Confident83.9Confident94 Ų9461 Ų6144%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-93.6111.5171.5-172.1170.436.700108.3A447 Y448 D496 S497Q435-A447 HydrophobicContact CG-CB 3.97Å; Q435-Y448 WeakPolarHBondContact CA-O 3.45Å; Q435-D496 PolarHBondContact N-OD1 3.23Å; Q435-S497 WeakPolarHBondContact O-CA 3.41Å; Q435-S497 PolarHBondContact O-N 2.82Å
436V91.7Very high83.8Confident0 Ų062.1 Ų62.10%035%0.35CS..EExtended strand (participates in β ladder)trans-105.7144.6174.7-59.70000110.3I434 A447 Y448 I450 L459 L489 I494 L500I434-V436 HydrophobicContact CD1-CG1 3.71Å; I434-V436 HydrophobicContact CG1-CG1 4.11Å; V436-A447 CarbonylContact O-C 3.54Å; V436-A447 WeakPolarHBondContact O-CA 3.22Å; V436-Y448 PolarHBondContact N-O 3.28Å; V436-Y448 PolarHBondContact O-N 2.91Å; V436-I450 HydrophobicContact CG1-CG2 4.27Å; V436-I450 HydrophobicContact CG2-CG2 3.83Å; V436-L459 HydrophobicContact CG2-CD1 4Å; V436-L459 HydrophobicContact CG2-CD2 4.11Å; V436-L489 HydrophobicContact CG1-CD2 4.26Å; V436-I494 HydrophobicContact CG1-CG2 3.89Å; V436-L500 HydrophobicContact CB-CD1 3.78Å; V436-L500 HydrophobicContact CG1-CD1 4.32Å; V436-L500 HydrophobicContact CG2-CD1 4.15Å
437F92.1Very high83.8Confident59 Ų5964 Ų6426%0.25937%0.366SS..EExtended strand (participates in β ladder)trans-99.3133.9176.4-62.2-85.1000109.7H446 A447 D498 T499 L500F437-H446 CarbonylContact C-O 3.56Å; F437-H446 WeakPolarHBondContact CA-O 3.37Å; F437-A447 HydrophobicContact CD1-CB 3.87Å; F437-A447 HydrophobicContact CE1-CB 3.7Å; F437-D498 PolarHBondContact N-O 2.82Å; F437-T499 HydrophobicContact CB-CG2 4.23Å; F437-T499 CarbonylContact O-C 3.55Å; F437-T499 VanDerWaalsContact O-CA 3.24Å; F437-T499 WeakPolarHBondContact O-CA 3.13Å; F437-L500 PolarHBondContact O-N 3.1Å
438V93.9Very high83.9Confident0 Ų060.2 Ų60.20%035%0.346CS..EExtended strand (participates in β ladder)trans-112.4115174179.90000108.1S445 H446 Y448 L459 I463 L476 L500 L502V438-S445 VanDerWaalsContact O-CA 3.31Å; V438-S445 WeakPolarHBondContact O-CA 3.28Å; V438-H446 PolarHBondContact N-O 3.14Å; V438-H446 PolarHBondContact O-N 3.03Å; V438-Y448 HydrophobicContact CB-CD2 4.04Å; V438-Y448 HydrophobicContact CB-CE2 3.75Å; V438-Y448 HydrophobicContact CG2-CD2 3.54Å; V438-Y448 HydrophobicContact CG2-CE2 3.7Å; V438-L459 HydrophobicContact CG2-CD2 4.45Å; V438-I463 HydrophobicContact CG1-CD1 4.01Å; V438-I463 HydrophobicContact CG2-CD1 4.03Å; V438-I463 HydrophobicContact CG2-CG1 4.45Å; V438-L476 HydrophobicContact CG1-CD2 4.06Å; V438-L500 CarbonylContact C-O 3.59Å; V438-L500 WeakPolarHBondContact CA-O 3.46Å; V438-L502 HydrophobicContact CG1-CB 3.56Å; V438-L502 HydrophobicContact CG1-CD2 4.21Å; V438-L502 HydrophobicContact CG1-CG 4.47Å
439K93.1Very high84.1Confident100 Ų10060.6 Ų60.644%0.43536%0.357SS..EExtended strand (participates in β ladder)trans-83.5117.1176.3-171.9176.3-176.9177.60109.7G444 T499 L500 L502K439-G444 CarbonylContact C-O 3.48Å; K439-G444 WeakPolarHBondContact CA-O 3.4Å; K439-T499 HydrophobicContact CB-CG2 4.01Å; K439-L500 PolarHBondContact N-O 3.44Å; K439-L502 PolarHBondContact O-N 2.99Å
440N88Confident84.5Confident13 Ų1358.6 Ų58.67%0.0735%0.345CS..  trans-79.4160.5-179.5-73.4-8000111.7D442 G443 G444 H446 Q467N440-D442 WeakPolarHBondContact CB-OD1 3.38Å; N440-D442 PolarHBondContact O-N 2.96Å; N440-G443 PolarHBondContact O-N 3.11Å; N440-G444 PolarHBondContact N-O 3.09Å; N440-H446 PolarHBondContact ND2-CE1 3.48Å; N440-H446 PolarHBondContact ND2-ND1 2.63Å; N440-H446 VanDerWaalsContact ND2-ND1 3.19Å; N440-Q467 PolarHBondContact ND2-NE2 2.78Å; N440-Q467 PolarHBondContact ND2-OE1 2.92Å; N440-Q467 PolarHBondContact OD1-NE2 3.41Å; N440-Q467 VanDerWaalsContact OD1-NE2 3.09Å; N440-Q467 PolarHBondContact OD1-OE1 3.47Å; N440-Q467 VanDerWaalsContact OD1-OE1 3.08Å
441P81.9Confident85.1Confident96 Ų9655 Ų5562%0.62333%0.327SS*.THydrogen-bonded Turntrans-60.3-23.6176.4-23.633.1000114.8G443 L502P441-G443 PolarHBondContact O-N 3.01Å; P441-L502 WeakPolarHBondContact CD-O 3.48Å; P441-L502 WeakPolarHBondContact CG-O 3.38Å
442D82Confident85.7Confident129 Ų12954.7 Ų54.769%0.6933%0.325SS*.THydrogen-bonded Turntrans-79-3.2176.761.95.4000113.3N440 G444N440-D442 WeakPolarHBondContact CB-OD1 3.38Å; N440-D442 PolarHBondContact O-N 2.96Å; D442-G444 PolarHBondContact OD1-N 3.32Å
443G78.9Confident86Confident49 Ų4955.2 Ų55.251%0.50532%0.322SS..SBendtrans92.4-10.2179.800000114.7N440 P441N440-G443 PolarHBondContact O-N 3.11Å; P441-G443 PolarHBondContact O-N 3.01Å
444G86.7Confident86.4Confident31 Ų3150.5 Ų50.532%0.3230%0.304SS..  trans-74158.2175.500000112.7K439 N440 D442K439-G444 CarbonylContact C-O 3.48Å; K439-G444 WeakPolarHBondContact CA-O 3.4Å; N440-G444 PolarHBondContact N-O 3.09Å; D442-G444 PolarHBondContact OD1-N 3.32Å
445S88.3Confident86.7Confident77 Ų7755.9 Ų55.954%0.53833%0.327SS..EExtended strand (participates in β ladder)trans-128.1132.3174.860.80000111.6V438V438-S445 VanDerWaalsContact O-CA 3.31Å; V438-S445 WeakPolarHBondContact O-CA 3.28Å
446H90.9Very high86.9Confident84 Ų8451.4 Ų51.439%0.38931%0.306SS..EExtended strand (participates in β ladder)trans-112.9144.2175.9-66.288.5000110.6F437 V438 N440 Y448 Q467F437-H446 CarbonylContact C-O 3.56Å; F437-H446 WeakPolarHBondContact CA-O 3.37Å; V438-H446 PolarHBondContact N-O 3.14Å; V438-H446 PolarHBondContact O-N 3.03Å; N440-H446 PolarHBondContact ND2-CE1 3.48Å; N440-H446 PolarHBondContact ND2-ND1 2.63Å; N440-H446 VanDerWaalsContact ND2-ND1 3.19Å; H446-Y448 HydrophobicContact CB-CE2 3.72Å; H446-Y448 WeakPolarHBondContact O-CD2 3.49Å; H446-Q467 PolarHBondContact ND1-NE2 3.16Å
447A90.7Very high86.9Confident40 Ų4055.1 Ų55.133%0.33133%0.326SS..EExtended strand (participates in β ladder)trans-96.8134-179.900000111.3Q435 V436 F437Q435-A447 HydrophobicContact CG-CB 3.97Å; V436-A447 CarbonylContact O-C 3.54Å; V436-A447 WeakPolarHBondContact O-CA 3.22Å; F437-A447 HydrophobicContact CD1-CB 3.87Å; F437-A447 HydrophobicContact CE1-CB 3.7Å
448Y90.2Very high86.9Confident1 Ų153.8 Ų53.80%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-123.1123.2-179.2-66.8-88.1000109.9Q435 V436 V438 H446 L459 Q462 I463 Q466 Q467Q435-Y448 WeakPolarHBondContact CA-O 3.45Å; V436-Y448 PolarHBondContact N-O 3.28Å; V436-Y448 PolarHBondContact O-N 2.91Å; V438-Y448 HydrophobicContact CB-CD2 4.04Å; V438-Y448 HydrophobicContact CB-CE2 3.75Å; V438-Y448 HydrophobicContact CG2-CD2 3.54Å; V438-Y448 HydrophobicContact CG2-CE2 3.7Å; H446-Y448 HydrophobicContact CB-CE2 3.72Å; H446-Y448 WeakPolarHBondContact O-CD2 3.49Å; Y448-L459 HydrophobicContact CD1-CD1 4.3Å; Y448-L459 HydrophobicContact CD2-CD1 4.37Å; Y448-L459 HydrophobicContact CG-CD1 3.86Å; Y448-Q462 HydrophobicContact CD1-CB 3.77Å; Y448-Q462 HydrophobicContact CE1-CB 4.06Å; Y448-I463 HydrophobicContact CE1-CG1 3.97Å; Y448-I463 HydrophobicContact CE2-CG1 4.04Å; Y448-Q466 HydrophobicContact CE1-CB 4.38Å; Y448-Q466 HydrophobicContact CE1-CG 4.29Å; Y448-Q466 PolarHBondContact OH-OE1 2.67Å; Y448-Q467 PolarHBondContact OH-NE2 2.88Å
449A88.8Confident86.8Confident53 Ų5353.8 Ų53.844%0.43833%0.329SS..EExtended strand (participates in β ladder)trans-82.4117.2169.600000108.8Q462A449-Q462 PolarHBondContact O-NE2 2.75Å; A449-Q462 PolarHBondContact O-OE1 2.74Å
450I86Confident86.8Confident3 Ų349.4 Ų49.42%0.01531%0.309CS..EExtended strand (participates in β ladder)trans-143144.1-176.1-166.6166.6000111.4I434 V436 L459 L489I434-I450 HydrophobicContact CG1-CG2 4.06Å; I434-I450 VanDerWaalsContact CG1-O 3.22Å; I434-I450 WeakPolarHBondContact CG1-O 3.22Å; I434-I450 PolarHBondContact N-O 2.9Å; I434-I450 PolarHBondContact O-N 3.35Å; V436-I450 HydrophobicContact CG1-CG2 4.27Å; V436-I450 HydrophobicContact CG2-CG2 3.83Å; I450-L459 HydrophobicContact CD1-CB 3.57Å; I450-L459 HydrophobicContact CD1-CD1 4.03Å; I450-L459 HydrophobicContact CD1-CG 4.32Å; I450-L489 HydrophobicContact CD1-CD1 3.94Å; I450-L489 HydrophobicContact CD1-CD2 4.29Å; I450-L489 HydrophobicContact CG2-CD2 3.59Å
451N81.3Confident87Confident35 Ų3551.6 Ų51.619%0.18732%0.319CS..  trans-65.7131.8171.8-171.6-49.4000109.6N453 S454N451-N453 PolarHBondContact O-N 2.92Å; N451-N453 WeakPolarHBondContact OD1-CB 3.2Å; N451-N453 PolarHBondContact OD1-N 3.26Å; N451-S454 VanDerWaalsContact O-CB 3.23Å; N451-S454 WeakPolarHBondContact O-CB 3.39Å; N451-S454 PolarHBondContact O-N 2.91Å; N451-S454 PolarHBondContact O-OG 2.81Å
452P78.3Confident87.5Confident24 Ų2449.9 Ų49.916%0.15630%0.303CS..THydrogen-bonded Turntrans-60.6-19.1-179.822.3-33.3000113.9P431 P432 I434 G490P431-P452 HydrophobicContact CB-CG 3.88Å; P431-P452 HydrophobicContact CG-CG 4.2Å; P432-P452 WeakPolarHBondContact O-CD 3.44Å; I434-P452 HydrophobicContact CD1-CB 4.03Å; I434-P452 HydrophobicContact CG1-CB 4.24Å; I434-P452 HydrophobicContact CG2-CB 4.25Å; I434-P452 HydrophobicContact CG2-CG 4.3Å; P452-G490 PolarHBondContact O-N 2.9Å; P452-G490 VanDerWaalsContact O-N 3.09Å
453N76Confident87.9Confident117 Ų11743.8 Ų43.863%0.62627%0.27SS*.THydrogen-bonded Turntrans-92.9-1.1175-60.5-58.9000114N451N451-N453 PolarHBondContact O-N 2.92Å; N451-N453 WeakPolarHBondContact OD1-CB 3.2Å; N451-N453 PolarHBondContact OD1-N 3.26Å
454S83.3Confident88.5Confident40 Ų4043.9 Ų43.928%0.2826%0.258SS..SBendtrans-63.2149.8174.9-72.90000111.1N451 G488 L489N451-S454 VanDerWaalsContact O-CB 3.23Å; N451-S454 WeakPolarHBondContact O-CB 3.39Å; N451-S454 PolarHBondContact O-N 2.91Å; N451-S454 PolarHBondContact O-OG 2.81Å; S454-G488 VanDerWaalsContact O-CA 3.28Å; S454-G488 WeakPolarHBondContact O-CA 3.37Å; S454-L489 WeakPolarHBondContact O-CD1 3.33Å; S454-L489 PolarHBondContact O-N 2.93Å
455F90.5Very high88.7Confident128 Ų12847.9 Ų47.956%0.56127%0.272SS*.BIsolated β-bridgetrans-71.2152.9170-61.4-57.5000111.1L457 G458 W486 L487F455-L457 PolarHBondContact O-N 3.33Å; F455-G458 WeakPolarHBondContact O-CA 3.22Å; F455-G458 PolarHBondContact O-N 2.88Å; F455-W486 WeakPolarHBondContact CD1-O 3.44Å; F455-W486 WeakPolarHBondContact CE1-O 3.03Å; F455-L487 WeakPolarHBondContact CA-O 3.41Å
456I92.5Very high88.5Confident0 Ų050 Ų500%027%0.273CS..Hα-helixtrans-55.4-34.8173.7-64.5-63.4000111.3G458 L459 K460 L476 L483 Q484 L487 L489 Y492 I494I456-G458 PolarHBondContact O-N 3.2Å; I456-L459 PolarHBondContact O-N 3.14Å; I456-L459 VanDerWaalsContact O-N 3.12Å; I456-K460 HydrophobicContact CG2-CG 4.45Å; I456-K460 PolarHBondContact O-N 2.8Å; I456-L476 HydrophobicContact CG2-CD1 4.02Å; I456-L483 HydrophobicContact CD1-CB 4Å; I456-L483 HydrophobicContact CD1-CD1 3.67Å; I456-L483 HydrophobicContact CD1-CG 4.36Å; I456-L483 HydrophobicContact CG1-CB 3.99Å; I456-L483 HydrophobicContact CG2-CB 3.94Å; I456-Q484 WeakPolarHBondContact CB-O 3.49Å; I456-L487 WeakPolarHBondContact CG1-O 3.27Å; I456-L487 PolarHBondContact N-O 2.86Å; I456-L489 HydrophobicContact CD1-CD1 4.06Å; I456-L489 HydrophobicContact CD1-CG 4.08Å; I456-Y492 HydrophobicContact CD1-CD2 4.36Å; I456-Y492 HydrophobicContact CD1-CE2 4.3Å; I456-Y492 HydrophobicContact CG1-CE2 3.99Å; I456-I494 HydrophobicContact CD1-CD1 4.48Å
457L92.3Very high88.4Confident79 Ų7948.8 Ų48.841%0.41427%0.268SS..Hα-helixtrans-56.7-34.7173.4-175.161.8000113.2F455 K460 Q461 K471 D485F455-L457 PolarHBondContact O-N 3.33Å; L457-K460 PolarHBondContact O-N 3.44Å; L457-Q461 PolarHBondContact O-N 2.87Å; L457-K471 HydrophobicContact CD1-CD 4.04Å; L457-D485 HydrophobicContact CB-CB 4.2Å; L457-D485 WeakPolarHBondContact CB-O 3.45Å; L457-D485 PolarHBondContact N-O 3.16Å; L457-D485 VanDerWaalsContact N-O 3.1Å
458G90.6Very high88.2Confident31 Ų3149.6 Ų49.632%0.3228%0.28SS..Hα-helixtrans-66.6-41.3176.600000112.2F455 I456 Q461 Q462F455-G458 WeakPolarHBondContact O-CA 3.22Å; F455-G458 PolarHBondContact O-N 2.88Å; I456-G458 PolarHBondContact O-N 3.2Å; G458-Q461 WeakPolarHBondContact O-CB 3.24Å; G458-Q461 PolarHBondContact O-N 2.99Å; G458-Q462 PolarHBondContact O-N 3.2Å
459L91.8Very high88Confident0 Ų050.9 Ų50.90%029%0.287CS..Hα-helixtrans-64.7-42.1173.6-175.456.2000111.3V436 V438 Y448 I450 I456 Q461 Q462 I463 L476 L500V436-L459 HydrophobicContact CG2-CD1 4Å; V436-L459 HydrophobicContact CG2-CD2 4.11Å; V438-L459 HydrophobicContact CG2-CD2 4.45Å; Y448-L459 HydrophobicContact CD1-CD1 4.3Å; Y448-L459 HydrophobicContact CD2-CD1 4.37Å; Y448-L459 HydrophobicContact CG-CD1 3.86Å; I450-L459 HydrophobicContact CD1-CB 3.57Å; I450-L459 HydrophobicContact CD1-CD1 4.03Å; I450-L459 HydrophobicContact CD1-CG 4.32Å; I456-L459 PolarHBondContact O-N 3.14Å; I456-L459 VanDerWaalsContact O-N 3.12Å; L459-Q461 VanDerWaalsContact C-N 3.29Å; L459-Q461 PolarHBondContact O-N 2.93Å; L459-Q462 PolarHBondContact O-N 3.1Å; L459-Q462 VanDerWaalsContact O-N 3.16Å; L459-I463 HydrophobicContact CG-CD1 4.21Å; L459-I463 WeakPolarHBondContact O-CG1 3.42Å; L459-I463 PolarHBondContact O-N 3.35Å; L459-L476 HydrophobicContact CB-CD1 4.46Å; L459-L476 HydrophobicContact CD2-CD1 3.96Å; L459-L476 HydrophobicContact CG-CD1 4.17Å; L459-L500 HydrophobicContact CD2-CD2 3.74Å
460K93.6Very high88.1Confident7 Ų751 Ų513%0.0328%0.283CS..Hα-helixtrans-61.5-36.9176.2-69.9-171.1176.2-179.50113.1I456 L457 I463 E464 K471 Q474 L476 D485I456-K460 HydrophobicContact CG2-CG 4.45Å; I456-K460 PolarHBondContact O-N 2.8Å; L457-K460 PolarHBondContact O-N 3.44Å; K460-I463 PolarHBondContact O-N 3.25Å; K460-E464 PolarHBondContact O-N 3.19Å; K460-K471 HydrophobicContact CB-CG 4.08Å; K460-Q474 HydrophobicContact CD-CB 4.14Å; K460-Q474 WeakPolarHBondContact CE-O 3.23Å; K460-Q474 HydrophobicContact CG-CB 4.37Å; K460-Q474 VanDerWaalsContact CG-OE1 3.25Å; K460-Q474 PolarHBondContact NZ-O 2.87Å; K460-Q474 PolarHBondContact O-NE2 2.82Å; K460-Q474 PolarHBondContact O-OE1 2.76Å; K460-L476 HydrophobicContact CG-CD1 3.72Å; K460-L476 HydrophobicContact CG-CG 4.34Å; K460-D485 VanDerWaalsContact CE-OD1 3.28Å; K460-D485 WeakPolarHBondContact CE-OD1 3.5Å; K460-D485 IonicContact NZ-OD1 3.98Å; K460-D485 PolarHBondContact NZ-OD1 3.39Å
461Q92.3Very high88.3Confident60 Ų6053.8 Ų53.828%0.2830%0.295SS..Hα-helixtrans-61.2-48.3172.9-173.364.461.800110.9L457 G458 L459 I463 E464 D465 K471L457-Q461 PolarHBondContact O-N 2.87Å; G458-Q461 WeakPolarHBondContact O-CB 3.24Å; G458-Q461 PolarHBondContact O-N 2.99Å; L459-Q461 VanDerWaalsContact C-N 3.29Å; L459-Q461 PolarHBondContact O-N 2.93Å; Q461-I463 VanDerWaalsContact C-N 3.26Å; Q461-I463 PolarHBondContact O-N 2.97Å; Q461-E464 PolarHBondContact NE2-OE2 3.4Å; Q461-E464 WeakPolarHBondContact O-CB 3.09Å; Q461-E464 PolarHBondContact O-N 2.79Å; Q461-E464 VanDerWaalsContact O-N 3.07Å; Q461-D465 PolarHBondContact NE2-OD1 2.86Å; Q461-D465 PolarHBondContact O-N 2.98Å; Q461-K471 HydrophobicContact CB-CD 4.25Å; Q461-K471 VanDerWaalsContact OE1-CD 3.31Å; Q461-K471 VanDerWaalsContact OE1-CE 3.22Å
462Q91.8Very high88.7Confident60 Ų6061.3 Ų61.328%0.2833%0.326SS..Hα-helixtrans-60.9-36.7178.1-66.5-176-5.200112.4Y448 A449 G458 L459 D465 Q466Y448-Q462 HydrophobicContact CD1-CB 3.77Å; Y448-Q462 HydrophobicContact CE1-CB 4.06Å; A449-Q462 PolarHBondContact O-NE2 2.75Å; A449-Q462 PolarHBondContact O-OE1 2.74Å; G458-Q462 PolarHBondContact O-N 3.2Å; L459-Q462 PolarHBondContact O-N 3.1Å; L459-Q462 VanDerWaalsContact O-N 3.16Å; Q462-D465 PolarHBondContact O-N 3.12Å; Q462-Q466 WeakPolarHBondContact O-CB 3.45Å; Q462-Q466 WeakPolarHBondContact O-CG 3.4Å; Q462-Q466 PolarHBondContact O-N 3.19Å
463I91.1Very high89.2Confident0 Ų061.9 Ų61.90%033%0.326CS..Hα-helixtrans-65-43173.9-64.9164.2000111V438 Y448 L459 K460 Q461 Q466 Q467 L476 L502V438-I463 HydrophobicContact CG1-CD1 4.01Å; V438-I463 HydrophobicContact CG2-CD1 4.03Å; V438-I463 HydrophobicContact CG2-CG1 4.45Å; Y448-I463 HydrophobicContact CE1-CG1 3.97Å; Y448-I463 HydrophobicContact CE2-CG1 4.04Å; L459-I463 HydrophobicContact CG-CD1 4.21Å; L459-I463 WeakPolarHBondContact O-CG1 3.42Å; L459-I463 PolarHBondContact O-N 3.35Å; K460-I463 PolarHBondContact O-N 3.25Å; Q461-I463 VanDerWaalsContact C-N 3.26Å; Q461-I463 PolarHBondContact O-N 2.97Å; I463-Q466 PolarHBondContact O-N 2.87Å; I463-Q467 HydrophobicContact CG2-CB 4.49Å; I463-Q467 HydrophobicContact CG2-CG 4.37Å; I463-Q467 WeakPolarHBondContact O-CA 3.37Å; I463-Q467 VanDerWaalsContact O-CB 3.28Å; I463-Q467 WeakPolarHBondContact O-CB 3.36Å; I463-Q467 PolarHBondContact O-N 2.97Å; I463-L476 HydrophobicContact CD1-CD1 4.1Å; I463-L476 HydrophobicContact CD1-CD2 3.81Å; I463-L476 HydrophobicContact CD1-CG 4.41Å; I463-L502 HydrophobicContact CG2-CD2 3.82Å
464E92.6Very high90Very high52 Ų5256.4 Ų56.424%0.24330%0.297CS..Hα-helixtrans-62.6-43.7176.3-177.1175.7-118.700110.9K460 Q461 Q466 G468 L469 P470 K471K460-E464 PolarHBondContact O-N 3.19Å; Q461-E464 PolarHBondContact NE2-OE2 3.4Å; Q461-E464 WeakPolarHBondContact O-CB 3.09Å; Q461-E464 PolarHBondContact O-N 2.79Å; Q461-E464 VanDerWaalsContact O-N 3.07Å; E464-Q466 PolarHBondContact O-N 3.28Å; E464-G468 WeakPolarHBondContact O-CA 3.42Å; E464-G468 PolarHBondContact O-N 2.91Å; E464-L469 WeakPolarHBondContact CA-O 3.31Å; E464-L469 WeakPolarHBondContact CB-O 3.47Å; E464-P470 WeakPolarHBondContact OE1-CA 3.49Å; E464-K471 HydrophobicContact CB-CG 4.15Å; E464-K471 PolarHBondContact OE1-N 3.03Å; E464-K471 WeakPolarHBondContact OE2-CE 3.49Å; E464-K471 WeakPolarHBondContact OE2-CG 3.35Å; E464-K471 IonicContact OE2-NZ 2.8Å
465D89.3Confident90.5Very high114 Ų11456.8 Ų56.861%0.6129%0.294SS*.Hα-helixtrans-65.6-37.8-179.3-61.9-19.8000112.1Q461 Q462Q461-D465 PolarHBondContact NE2-OD1 2.86Å; Q461-D465 PolarHBondContact O-N 2.98Å; Q462-D465 PolarHBondContact O-N 3.12Å
466Q85.9Confident90.7Very high122 Ų12250.7 Ų50.757%0.5727%0.268SS*.Hα-helixtrans-88.7-37-178.3-71.7-170.1-7.700114.2Y448 Q462 I463 E464Y448-Q466 HydrophobicContact CE1-CB 4.38Å; Y448-Q466 HydrophobicContact CE1-CG 4.29Å; Y448-Q466 PolarHBondContact OH-OE1 2.67Å; Q462-Q466 WeakPolarHBondContact O-CB 3.45Å; Q462-Q466 WeakPolarHBondContact O-CG 3.4Å; Q462-Q466 PolarHBondContact O-N 3.19Å; I463-Q466 PolarHBondContact O-N 2.87Å; E464-Q466 PolarHBondContact O-N 3.28Å
467Q87.4Confident90.7Very high59 Ų5953.4 Ų53.428%0.27628%0.28SS..Hα-helixtrans-110.3-8.6-172.3-52.2-170.817.300113.3N440 H446 Y448 I463 L469N440-Q467 PolarHBondContact ND2-NE2 2.78Å; N440-Q467 PolarHBondContact ND2-OE1 2.92Å; N440-Q467 PolarHBondContact OD1-NE2 3.41Å; N440-Q467 VanDerWaalsContact OD1-NE2 3.09Å; N440-Q467 PolarHBondContact OD1-OE1 3.47Å; N440-Q467 VanDerWaalsContact OD1-OE1 3.08Å; H446-Q467 PolarHBondContact ND1-NE2 3.16Å; Y448-Q467 PolarHBondContact OH-NE2 2.88Å; I463-Q467 HydrophobicContact CG2-CB 4.49Å; I463-Q467 HydrophobicContact CG2-CG 4.37Å; I463-Q467 WeakPolarHBondContact O-CA 3.37Å; I463-Q467 VanDerWaalsContact O-CB 3.28Å; I463-Q467 WeakPolarHBondContact O-CB 3.36Å; I463-Q467 PolarHBondContact O-N 2.97Å; Q467-L469 PolarHBondContact O-N 2.99Å
468G86Confident90.8Very high57 Ų5750.3 Ų50.359%0.58826%0.263SS*.  trans71.75-179.500000115.2E464 P470E464-G468 WeakPolarHBondContact O-CA 3.42Å; E464-G468 PolarHBondContact O-N 2.91Å; G468-P470 WeakPolarHBondContact O-CD 3.42Å
469L87.1Confident90.8Very high28 Ų2856.8 Ų56.815%0.14729%0.286CS..  trans-78.8119.1179.4-176.964.2000110E464 Q467 K471 Q473 Q474 L502 K504E464-L469 WeakPolarHBondContact CA-O 3.31Å; E464-L469 WeakPolarHBondContact CB-O 3.47Å; Q467-L469 PolarHBondContact O-N 2.99Å; L469-K471 PolarHBondContact O-N 3.47Å; L469-Q473 HydrophobicContact CD1-CB 4.19Å; L469-Q474 HydrophobicContact CB-CG 4.44Å; L469-Q474 HydrophobicContact CD2-CG 3.8Å; L469-Q474 HydrophobicContact CG-CG 3.89Å; L469-Q474 PolarHBondContact O-NE2 3.08Å; L469-L502 HydrophobicContact CD2-CD1 4.29Å; L469-L502 HydrophobicContact CD2-CD2 3.98Å; L469-L502 HydrophobicContact CD2-CG 4.32Å; L469-K504 HydrophobicContact CD1-CD 4.22Å; L469-K504 HydrophobicContact CD1-CG 4.37Å
470P90.6Very high90.5Very high54 Ų5459.7 Ų59.735%0.35132%0.316SS..  trans-60.5136.7-174.6-26.535.4000113.1E464 G468 K472 Q473 Q474E464-P470 WeakPolarHBondContact OE1-CA 3.49Å; G468-P470 WeakPolarHBondContact O-CD 3.42Å; P470-K472 PolarHBondContact O-N 3.02Å; P470-Q473 HydrophobicContact CB-CG 4.42Å; P470-Q473 WeakPolarHBondContact O-CA 3.42Å; P470-Q473 WeakPolarHBondContact O-CB 3.46Å; P470-Q473 PolarHBondContact O-N 3.4Å; P470-Q474 PolarHBondContact O-N 2.85Å
471K90.6Very high90.4Very high62 Ų6264.7 Ų64.727%0.2734%0.339SS..G310 helixtrans-49-37.3-177.6-74.2176.1-63.7-1720113.9L457 K460 Q461 E464 L469 Q473 Q474L457-K471 HydrophobicContact CD1-CD 4.04Å; K460-K471 HydrophobicContact CB-CG 4.08Å; Q461-K471 HydrophobicContact CB-CD 4.25Å; Q461-K471 VanDerWaalsContact OE1-CD 3.31Å; Q461-K471 VanDerWaalsContact OE1-CE 3.22Å; E464-K471 HydrophobicContact CB-CG 4.15Å; E464-K471 PolarHBondContact OE1-N 3.03Å; E464-K471 WeakPolarHBondContact OE2-CE 3.49Å; E464-K471 WeakPolarHBondContact OE2-CG 3.35Å; E464-K471 IonicContact OE2-NZ 2.8Å; L469-K471 PolarHBondContact O-N 3.47Å; K471-Q473 VanDerWaalsContact C-N 3.26Å; K471-Q473 PolarHBondContact O-N 3.01Å; K471-Q474 WeakPolarHBondContact O-CB 3.4Å; K471-Q474 PolarHBondContact O-N 3.19Å
472K88.9Confident90.4Very high193 Ų19364.5 Ų64.584%0.83934%0.342SS*.G310 helixtrans-64.9-29179.4-66.5-175.4179.6179.80113.2P470P470-K472 PolarHBondContact O-N 3.02Å
473Q89.8Confident90.5Very high37 Ų3761.9 Ų61.917%0.17333%0.33CS..G310 helixtrans-88.8-9.1179.2-62.2-177.60.300112.2L469 P470 K471 K504 K505 E507L469-Q473 HydrophobicContact CD1-CB 4.19Å; P470-Q473 HydrophobicContact CB-CG 4.42Å; P470-Q473 WeakPolarHBondContact O-CA 3.42Å; P470-Q473 WeakPolarHBondContact O-CB 3.46Å; P470-Q473 PolarHBondContact O-N 3.4Å; K471-Q473 VanDerWaalsContact C-N 3.26Å; K471-Q473 PolarHBondContact O-N 3.01Å; Q473-K504 WeakPolarHBondContact O-CA 3.18Å; Q473-K504 VanDerWaalsContact OE1-CE 3.29Å; Q473-K505 PolarHBondContact O-N 3.18Å; Q473-E507 PolarHBondContact NE2-OE1 3.45Å; Q473-E507 VanDerWaalsContact NE2-OE1 3.17Å
474Q91.8Very high90.6Very high1 Ų165.6 Ų65.61%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-85.9128.4-179.8-59.517922.700112.2K460 L469 P470 K471 L502K460-Q474 HydrophobicContact CD-CB 4.14Å; K460-Q474 WeakPolarHBondContact CE-O 3.23Å; K460-Q474 HydrophobicContact CG-CB 4.37Å; K460-Q474 VanDerWaalsContact CG-OE1 3.25Å; K460-Q474 PolarHBondContact NZ-O 2.87Å; K460-Q474 PolarHBondContact O-NE2 2.82Å; K460-Q474 PolarHBondContact O-OE1 2.76Å; L469-Q474 HydrophobicContact CB-CG 4.44Å; L469-Q474 HydrophobicContact CD2-CG 3.8Å; L469-Q474 HydrophobicContact CG-CG 3.89Å; L469-Q474 PolarHBondContact O-NE2 3.08Å; P470-Q474 PolarHBondContact O-N 2.85Å; K471-Q474 WeakPolarHBondContact O-CB 3.4Å; K471-Q474 PolarHBondContact O-N 3.19Å; Q474-L502 HydrophobicContact CB-CD1 3.82Å; Q474-L502 HydrophobicContact CG-CD1 4.07Å
475Q93.6Very high90.5Very high49 Ų4965.8 Ų65.823%0.22935%0.35CS..EExtended strand (participates in β ladder)trans-121.8114.2166.6-178.4168.1-34.200109.3V482 S503 K505Q475-V482 HydrophobicContact CG-CG1 3.78Å; Q475-V482 VanDerWaalsContact NE2-CG2 3.31Å; Q475-S503 WeakPolarHBondContact CB-OG 3.48Å; Q475-S503 PolarHBondContact N-O 2.99Å; Q475-S503 PolarHBondContact O-N 3.09Å; Q475-S503 PolarHBondContact O-OG 2.87Å; Q475-K505 HydrophobicContact CB-CD 4.5Å; Q475-K505 HydrophobicContact CB-CG 4.06Å
476L94.4Very high90.5Very high0 Ų069 Ų690%035%0.353CS..EExtended strand (participates in β ladder)trans-95.4138.9176-68.2173.7000109.7V438 I456 L459 K460 I463 L483 I501 L502V438-L476 HydrophobicContact CG1-CD2 4.06Å; I456-L476 HydrophobicContact CG2-CD1 4.02Å; L459-L476 HydrophobicContact CB-CD1 4.46Å; L459-L476 HydrophobicContact CD2-CD1 3.96Å; L459-L476 HydrophobicContact CG-CD1 4.17Å; K460-L476 HydrophobicContact CG-CD1 3.72Å; K460-L476 HydrophobicContact CG-CG 4.34Å; I463-L476 HydrophobicContact CD1-CD1 4.1Å; I463-L476 HydrophobicContact CD1-CD2 3.81Å; I463-L476 HydrophobicContact CD1-CG 4.41Å; L476-L483 HydrophobicContact CB-CB 4.25Å; L476-L483 HydrophobicContact CB-CD1 3.9Å; L476-L483 HydrophobicContact CB-CG 4.32Å; L476-L483 WeakPolarHBondContact O-CG 3.31Å; L476-L483 PolarHBondContact O-N 3.32Å; L476-I501 CarbonylContact C-O 3.49Å; L476-I501 WeakPolarHBondContact CA-O 3.43Å; L476-L502 HydrophobicContact CD2-CB 4.11Å; L476-L502 HydrophobicContact CD2-CD1 3.91Å
477E93.7Very high90.5Very high57 Ų5766.4 Ų66.427%0.26634%0.343SS..EExtended strand (participates in β ladder)trans-132.4140.4178.8-170.9-176.9144.500110.3G480 Q481 L500 I501E477-G480 WeakPolarHBondContact OE1-CA 3.41Å; E477-Q481 VanDerWaalsContact CA-O 3.31Å; E477-Q481 WeakPolarHBondContact CA-O 3.28Å; E477-Q481 WeakPolarHBondContact CG-O 3.48Å; E477-L500 WeakPolarHBondContact O-CA 3.4Å; E477-I501 HydrophobicContact CB-CB 4.42Å; E477-I501 PolarHBondContact N-O 2.82Å; E477-I501 PolarHBondContact O-N 2.93Å
478F94.1Very high90.4Very high13 Ų1364.3 Ų64.36%0.05734%0.338CS..EExtended strand (participates in β ladder)trans-137.9130.5173.6-177.9-112.8000109.1G480 Q481 L483 I494 D498F478-G480 PolarHBondContact O-N 2.93Å; F478-G480 VanDerWaalsContact O-N 3.16Å; F478-Q481 PolarHBondContact N-O 3.38Å; F478-Q481 WeakPolarHBondContact O-CB 3.43Å; F478-Q481 PolarHBondContact O-N 2.99Å; F478-L483 HydrophobicContact CB-CD1 4.17Å; F478-L483 HydrophobicContact CB-CD2 4.06Å; F478-L483 HydrophobicContact CB-CG 4.49Å; F478-I494 HydrophobicContact CB-CD1 4.37Å; F478-I494 HydrophobicContact CB-CG1 4.41Å; F478-I494 HydrophobicContact CD1-CD1 4.28Å; F478-I494 HydrophobicContact CD1-CG1 3.51Å; F478-I494 HydrophobicContact CD2-CG1 4.2Å; F478-I494 HydrophobicContact CE1-CG1 3.65Å; F478-I494 HydrophobicContact CE2-CG1 4.33Å; F478-I494 HydrophobicContact CG-CD1 4.27Å; F478-I494 HydrophobicContact CG-CG1 3.79Å; F478-I494 HydrophobicContact CZ-CG1 4.06Å; F478-D498 HydrophobicContact CE2-CB 3.86Å; F478-D498 HydrophobicContact CZ-CB 4.26Å; F478-D498 WeakPolarHBondContact CZ-OD2 3.28Å
479Q89.6Confident90.4Very high168 Ų16861.6 Ų61.679%0.78531%0.31SS*.THydrogen-bonded Turntrans50.337.3-179.2-60.2-177.8-1.600114.7Q481Q479-Q481 VanDerWaalsContact C-N 3.3Å; Q479-Q481 PolarHBondContact O-N 3.3Å
480G86.4Confident90.1Very high61 Ų6162.4 Ų62.463%0.62933%0.325SS*.THydrogen-bonded Turntrans83.7-0.7-178.700000114.8E477 F478E477-G480 WeakPolarHBondContact OE1-CA 3.41Å; F478-G480 PolarHBondContact O-N 2.93Å; F478-G480 VanDerWaalsContact O-N 3.16Å
481Q91.4Very high89.8Confident112 Ų11263.4 Ų63.452%0.52333%0.333SS..EExtended strand (participates in β ladder)trans-107.8127.7-178.8-173.7175.33.100111.9E477 F478 Q479 Y492E477-Q481 VanDerWaalsContact CA-O 3.31Å; E477-Q481 WeakPolarHBondContact CA-O 3.28Å; E477-Q481 WeakPolarHBondContact CG-O 3.48Å; F478-Q481 PolarHBondContact N-O 3.38Å; F478-Q481 WeakPolarHBondContact O-CB 3.43Å; F478-Q481 PolarHBondContact O-N 2.99Å; Q479-Q481 VanDerWaalsContact C-N 3.3Å; Q479-Q481 PolarHBondContact O-N 3.3Å; Q481-Y492 HydrophobicContact CG-CD1 4.47Å; Q481-Y492 HydrophobicContact CG-CE1 4.24Å
482V93Very high89.5Confident56 Ų5661.6 Ų61.634%0.33932%0.324SS..EExtended strand (participates in β ladder)trans-73.8126.9173.8-179.80000110.5Q475Q475-V482 HydrophobicContact CG-CG1 3.78Å; Q475-V482 VanDerWaalsContact NE2-CG2 3.31Å
483L93.9Very high89.3Confident4 Ų454.4 Ų54.42%0.02131%0.306CS..PPolyproline II helixtrans-85.4127.8-173.4-51.9-177.6000111.5I456 L476 F478 Y492 I494 L500I456-L483 HydrophobicContact CD1-CB 4Å; I456-L483 HydrophobicContact CD1-CD1 3.67Å; I456-L483 HydrophobicContact CD1-CG 4.36Å; I456-L483 HydrophobicContact CG1-CB 3.99Å; I456-L483 HydrophobicContact CG2-CB 3.94Å; L476-L483 HydrophobicContact CB-CB 4.25Å; L476-L483 HydrophobicContact CB-CD1 3.9Å; L476-L483 HydrophobicContact CB-CG 4.32Å; L476-L483 WeakPolarHBondContact O-CG 3.31Å; L476-L483 PolarHBondContact O-N 3.32Å; F478-L483 HydrophobicContact CB-CD1 4.17Å; F478-L483 HydrophobicContact CB-CD2 4.06Å; F478-L483 HydrophobicContact CB-CG 4.49Å; L483-Y492 HydrophobicContact CB-CE2 4.32Å; L483-Y492 HydrophobicContact CD2-CD1 3.43Å; L483-Y492 VanDerWaalsContact CD2-CD1 3.43Å; L483-Y492 HydrophobicContact CD2-CD2 3.68Å; L483-Y492 HydrophobicContact CD2-CE1 3.54Å; L483-Y492 HydrophobicContact CD2-CE2 3.8Å; L483-Y492 HydrophobicContact CD2-CG 3.49Å; L483-Y492 VanDerWaalsContact CD2-CG 3.49Å; L483-I494 HydrophobicContact CD1-CD1 4.08Å; L483-L500 HydrophobicContact CD1-CD2 3.5Å; L483-L500 VanDerWaalsContact CD1-CD2 3.5Å
484Q92.1Very high89.2Confident79 Ų7953 Ų5337%0.36930%0.299SS..PPolyproline II helixtrans-84.8136.9177.1-56.6-60.7-34.700111.9I456 W486 L487 Y492I456-Q484 WeakPolarHBondContact CB-O 3.49Å; Q484-W486 VanDerWaalsContact C-N 3.28Å; Q484-W486 HydrophobicContact CB-CD2 4.33Å; Q484-W486 HydrophobicContact CB-CH2 4.39Å; Q484-W486 HydrophobicContact CB-CZ2 4.03Å; Q484-W486 HydrophobicContact CG-CZ2 4.18Å; Q484-W486 PolarHBondContact O-N 3.21Å; Q484-W486 VanDerWaalsContact OE1-CH2 3.29Å; Q484-L487 HydrophobicContact CB-CD1 4.11Å; Q484-L487 HydrophobicContact CB-CG 4.3Å; Q484-L487 HydrophobicContact CG-CD1 4.35Å; Q484-L487 PolarHBondContact O-N 2.92Å; Q484-L487 VanDerWaalsContact O-N 3.14Å; Q484-Y492 PolarHBondContact N-OH 3.43Å
485D91.2Very high88.9Confident55 Ų5559.4 Ų59.429%0.29433%0.329SS..THydrogen-bonded Turntrans-58.4-35.1-172-71.5-4.5000113.9L457 K460L457-D485 HydrophobicContact CB-CB 4.2Å; L457-D485 WeakPolarHBondContact CB-O 3.45Å; L457-D485 PolarHBondContact N-O 3.16Å; L457-D485 VanDerWaalsContact N-O 3.1Å; K460-D485 VanDerWaalsContact CE-OD1 3.28Å; K460-D485 WeakPolarHBondContact CE-OD1 3.5Å; K460-D485 IonicContact NZ-OD1 3.98Å; K460-D485 PolarHBondContact NZ-OD1 3.39Å
486W88.4Confident88.4Confident181 Ų18161.4 Ų61.469%0.68634%0.341SS*.THydrogen-bonded Turntrans-89.7-0.7-176.657.384.5000114.5F455 Q484F455-W486 WeakPolarHBondContact CD1-O 3.44Å; F455-W486 WeakPolarHBondContact CE1-O 3.03Å; Q484-W486 VanDerWaalsContact C-N 3.28Å; Q484-W486 HydrophobicContact CB-CD2 4.33Å; Q484-W486 HydrophobicContact CB-CH2 4.39Å; Q484-W486 HydrophobicContact CB-CZ2 4.03Å; Q484-W486 HydrophobicContact CG-CZ2 4.18Å; Q484-W486 PolarHBondContact O-N 3.21Å; Q484-W486 VanDerWaalsContact OE1-CH2 3.29Å
487L86.6Confident88.1Confident68 Ų6864.5 Ų64.536%0.35636%0.363SS..SBendtrans-96.1150.4175.9-71.7177.7000110.6F455 I456 Q484 Y492F455-L487 WeakPolarHBondContact CA-O 3.41Å; I456-L487 WeakPolarHBondContact CG1-O 3.27Å; I456-L487 PolarHBondContact N-O 2.86Å; Q484-L487 HydrophobicContact CB-CD1 4.11Å; Q484-L487 HydrophobicContact CB-CG 4.3Å; Q484-L487 HydrophobicContact CG-CD1 4.35Å; Q484-L487 PolarHBondContact O-N 2.92Å; Q484-L487 VanDerWaalsContact O-N 3.14Å; L487-Y492 HydrophobicContact CB-CE2 3.74Å; L487-Y492 HydrophobicContact CD1-CE2 4.45Å; L487-Y492 VanDerWaalsContact CD1-OH 3.22Å; L487-Y492 WeakPolarHBondContact CD1-OH 3.36Å
488G86Confident88Confident16 Ų1663.9 Ų63.917%0.16536%0.361CS..BIsolated β-bridgetrans-83.9153.1-179.800000112.6S454 G490 S491S454-G488 VanDerWaalsContact O-CA 3.28Å; S454-G488 WeakPolarHBondContact O-CA 3.37Å; G488-G490 VanDerWaalsContact C-N 3.3Å; G488-G490 PolarHBondContact O-N 3.49Å; G488-S491 WeakPolarHBondContact O-CB 3.45Å; G488-S491 PolarHBondContact O-N 3.2Å; G488-S491 PolarHBondContact O-OG 3.07Å
489L84.6Confident87.8Confident0 Ų066.7 Ų66.70%038%0.38CS..G310 helixtrans-53.7-46.5178-81.977.6000112I434 V436 I450 S454 I456 S491 Y492 I494I434-L489 HydrophobicContact CD1-CD2 4.26Å; V436-L489 HydrophobicContact CG1-CD2 4.26Å; I450-L489 HydrophobicContact CD1-CD1 3.94Å; I450-L489 HydrophobicContact CD1-CD2 4.29Å; I450-L489 HydrophobicContact CG2-CD2 3.59Å; S454-L489 WeakPolarHBondContact O-CD1 3.33Å; S454-L489 PolarHBondContact O-N 2.93Å; I456-L489 HydrophobicContact CD1-CD1 4.06Å; I456-L489 HydrophobicContact CD1-CG 4.08Å; L489-S491 PolarHBondContact O-N 3.38Å; L489-S491 VanDerWaalsContact O-N 3.11Å; L489-Y492 PolarHBondContact O-N 2.75Å; L489-Y492 VanDerWaalsContact O-N 3.09Å; L489-I494 HydrophobicContact CB-CB 4.32Å; L489-I494 HydrophobicContact CB-CD1 4.37Å; L489-I494 HydrophobicContact CD2-CG2 4.28Å; L489-I494 HydrophobicContact CG-CD1 4.35Å; L489-I494 PolarHBondContact O-N 3.44Å
490G80.5Confident88Confident45 Ų4558.7 Ų58.746%0.46434%0.342SS..G310 helixtrans-61.3-20.1178.200000115.3P452 G488 Y492 G493P452-G490 PolarHBondContact O-N 2.9Å; P452-G490 VanDerWaalsContact O-N 3.09Å; G488-G490 VanDerWaalsContact C-N 3.3Å; G488-G490 PolarHBondContact O-N 3.49Å; G490-Y492 PolarHBondContact O-N 2.9Å; G490-G493 PolarHBondContact O-N 3.19Å; G490-G493 VanDerWaalsContact O-N 3.15Å
491S84.8Confident88.3Confident74 Ų7459.9 Ų59.952%0.51733%0.333SS..G310 helixtrans-70.5-22.6176.670.10000113.3G488 L489G488-S491 WeakPolarHBondContact O-CB 3.45Å; G488-S491 PolarHBondContact O-N 3.2Å; G488-S491 PolarHBondContact O-OG 3.07Å; L489-S491 PolarHBondContact O-N 3.38Å; L489-S491 VanDerWaalsContact O-N 3.11Å
492Y85.3Confident88.4Confident24 Ų2454.7 Ų54.79%0.09431%0.309CS..G310 helixtrans-95.44.4173.6-60.3-81000112.5I456 Q481 L483 Q484 L487 L489 G490 I494I456-Y492 HydrophobicContact CD1-CD2 4.36Å; I456-Y492 HydrophobicContact CD1-CE2 4.3Å; I456-Y492 HydrophobicContact CG1-CE2 3.99Å; Q481-Y492 HydrophobicContact CG-CD1 4.47Å; Q481-Y492 HydrophobicContact CG-CE1 4.24Å; L483-Y492 HydrophobicContact CB-CE2 4.32Å; L483-Y492 HydrophobicContact CD2-CD1 3.43Å; L483-Y492 VanDerWaalsContact CD2-CD1 3.43Å; L483-Y492 HydrophobicContact CD2-CD2 3.68Å; L483-Y492 HydrophobicContact CD2-CE1 3.54Å; L483-Y492 HydrophobicContact CD2-CE2 3.8Å; L483-Y492 HydrophobicContact CD2-CG 3.49Å; L483-Y492 VanDerWaalsContact CD2-CG 3.49Å; Q484-Y492 PolarHBondContact N-OH 3.43Å; L487-Y492 HydrophobicContact CB-CE2 3.74Å; L487-Y492 HydrophobicContact CD1-CE2 4.45Å; L487-Y492 VanDerWaalsContact CD1-OH 3.22Å; L487-Y492 WeakPolarHBondContact CD1-OH 3.36Å; L489-Y492 PolarHBondContact O-N 2.75Å; L489-Y492 VanDerWaalsContact O-N 3.09Å; G490-Y492 PolarHBondContact O-N 2.9Å; Y492-I494 VanDerWaalsContact C-N 3.26Å; Y492-I494 PolarHBondContact O-N 2.81Å
493G84.9Confident88.3Confident43 Ų4353.9 Ų53.944%0.44331%0.306SS..THydrogen-bonded Turntrans70.119.2-176.500000114.4G490 Q495G490-G493 PolarHBondContact O-N 3.19Å; G490-G493 VanDerWaalsContact O-N 3.15Å; G493-Q495 WeakPolarHBondContact O-CG 3.17Å; G493-Q495 PolarHBondContact O-N 3.46Å
494I87.2Confident87.9Confident6 Ų660 Ų603%0.03133%0.333CS..  trans-67.8127.8177.4-62.7161.1000109.4I434 V436 I456 F478 L483 L489 Y492 D498 L500I434-I494 HydrophobicContact CD1-CG2 4.44Å; V436-I494 HydrophobicContact CG1-CG2 3.89Å; I456-I494 HydrophobicContact CD1-CD1 4.48Å; F478-I494 HydrophobicContact CB-CD1 4.37Å; F478-I494 HydrophobicContact CB-CG1 4.41Å; F478-I494 HydrophobicContact CD1-CD1 4.28Å; F478-I494 HydrophobicContact CD1-CG1 3.51Å; F478-I494 HydrophobicContact CD2-CG1 4.2Å; F478-I494 HydrophobicContact CE1-CG1 3.65Å; F478-I494 HydrophobicContact CE2-CG1 4.33Å; F478-I494 HydrophobicContact CG-CD1 4.27Å; F478-I494 HydrophobicContact CG-CG1 3.79Å; F478-I494 HydrophobicContact CZ-CG1 4.06Å; L483-I494 HydrophobicContact CD1-CD1 4.08Å; L489-I494 HydrophobicContact CB-CB 4.32Å; L489-I494 HydrophobicContact CB-CD1 4.37Å; L489-I494 HydrophobicContact CD2-CG2 4.28Å; L489-I494 HydrophobicContact CG-CD1 4.35Å; L489-I494 PolarHBondContact O-N 3.44Å; Y492-I494 VanDerWaalsContact C-N 3.26Å; Y492-I494 PolarHBondContact O-N 2.81Å; I494-D498 WeakPolarHBondContact CA-OD2 3.45Å; I494-D498 HydrophobicContact CG2-CB 4.08Å; I494-L500 HydrophobicContact CD1-CD2 4.09Å; I494-L500 HydrophobicContact CG2-CD1 4.38Å
495Q85.4Confident87.5Confident137 Ų13760.9 Ų60.964%0.6434%0.335SS*.  trans-117.1179.6-178-59.4-168.9-1.600111.7G493 D498G493-Q495 WeakPolarHBondContact O-CG 3.17Å; G493-Q495 PolarHBondContact O-N 3.46Å; Q495-D498 PolarHBondContact N-OD2 2.99Å; Q495-D498 WeakPolarHBondContact O-CB 3.49Å; Q495-D498 PolarHBondContact O-N 3.48Å
496D83.8Confident86.2Confident90 Ų9068 Ų6848%0.48136%0.363SS..THydrogen-bonded Turntrans-59.9139.4173.2-170.758.4000111.7I434 Q435 D498I434-D496 WeakPolarHBondContact CA-OD1 3.4Å; I434-D496 HydrophobicContact CB-CB 4.1Å; I434-D496 HydrophobicContact CG2-CB 3.97Å; Q435-D496 PolarHBondContact N-OD1 3.23Å; D496-D498 PolarHBondContact O-N 2.98Å
497S86.4Confident84.4Confident65 Ų6567 Ų6746%0.45537%0.366SS..THydrogen-bonded Turntrans65.311-177.1-56.60000116.4Q435Q435-S497 WeakPolarHBondContact O-CA 3.41Å; Q435-S497 PolarHBondContact O-N 2.82Å
498D92.1Very high82.4Confident45 Ų4567 Ų6724%0.24138%0.383CS..  trans-70.9149.8174.3-87.6-27.2000112.7F437 F478 I494 Q495 D496F437-D498 PolarHBondContact N-O 2.82Å; F478-D498 HydrophobicContact CE2-CB 3.86Å; F478-D498 HydrophobicContact CZ-CB 4.26Å; F478-D498 WeakPolarHBondContact CZ-OD2 3.28Å; I494-D498 WeakPolarHBondContact CA-OD2 3.45Å; I494-D498 HydrophobicContact CG2-CB 4.08Å; Q495-D498 PolarHBondContact N-OD2 2.99Å; Q495-D498 WeakPolarHBondContact O-CB 3.49Å; Q495-D498 PolarHBondContact O-N 3.48Å; D496-D498 PolarHBondContact O-N 2.98Å
499T90.9Very high80Confident72 Ų7274.9 Ų74.944%0.44242%0.416SS..EExtended strand (participates in β ladder)trans-109122178.4-55.50000112F437 K439F437-T499 HydrophobicContact CB-CG2 4.23Å; F437-T499 CarbonylContact O-C 3.55Å; F437-T499 VanDerWaalsContact O-CA 3.24Å; F437-T499 WeakPolarHBondContact O-CA 3.13Å; K439-T499 HydrophobicContact CB-CG2 4.01Å
500L94Very high77.7Confident0 Ų078.6 Ų78.60%045%0.446CS..EExtended strand (participates in β ladder)trans-98.5148.4173-62.384.4000110.1V436 F437 V438 K439 L459 E477 L483 I494V436-L500 HydrophobicContact CB-CD1 3.78Å; V436-L500 HydrophobicContact CG1-CD1 4.32Å; V436-L500 HydrophobicContact CG2-CD1 4.15Å; F437-L500 PolarHBondContact O-N 3.1Å; V438-L500 CarbonylContact C-O 3.59Å; V438-L500 WeakPolarHBondContact CA-O 3.46Å; K439-L500 PolarHBondContact N-O 3.44Å; L459-L500 HydrophobicContact CD2-CD2 3.74Å; E477-L500 WeakPolarHBondContact O-CA 3.4Å; L483-L500 HydrophobicContact CD1-CD2 3.5Å; L483-L500 VanDerWaalsContact CD1-CD2 3.5Å; I494-L500 HydrophobicContact CD1-CD2 4.09Å; I494-L500 HydrophobicContact CG2-CD1 4.38Å
501I92.8Very high75.5Confident86 Ų8684 Ų8444%0.44146%0.464SS..EExtended strand (participates in β ladder)trans-100124.9177.5-56.1175.1000108.9L476 E477L476-I501 CarbonylContact C-O 3.49Å; L476-I501 WeakPolarHBondContact CA-O 3.43Å; E477-I501 HydrophobicContact CB-CB 4.42Å; E477-I501 PolarHBondContact N-O 2.82Å; E477-I501 PolarHBondContact O-N 2.93Å
502L93.1Very high73.2Confident2 Ų289.2 Ų89.21%0.0148%0.477CS..EExtended strand (participates in β ladder)trans-97.3123.8173176.964.5000109.8V438 K439 P441 I463 L469 Q474 L476V438-L502 HydrophobicContact CG1-CB 3.56Å; V438-L502 HydrophobicContact CG1-CD2 4.21Å; V438-L502 HydrophobicContact CG1-CG 4.47Å; K439-L502 PolarHBondContact O-N 2.99Å; P441-L502 WeakPolarHBondContact CD-O 3.48Å; P441-L502 WeakPolarHBondContact CG-O 3.38Å; I463-L502 HydrophobicContact CG2-CD2 3.82Å; L469-L502 HydrophobicContact CD2-CD1 4.29Å; L469-L502 HydrophobicContact CD2-CD2 3.98Å; L469-L502 HydrophobicContact CD2-CG 4.32Å; Q474-L502 HydrophobicContact CB-CD1 3.82Å; Q474-L502 HydrophobicContact CG-CD1 4.07Å; L476-L502 HydrophobicContact CD2-CB 4.11Å; L476-L502 HydrophobicContact CD2-CD1 3.91Å
503S90.6Very high71.1Confident40 Ų4093.9 Ų93.928%0.2851%0.511SS..EExtended strand (participates in β ladder)trans-119.8150.317154.90000110.9Q475Q475-S503 WeakPolarHBondContact CB-OG 3.48Å; Q475-S503 PolarHBondContact N-O 2.99Å; Q475-S503 PolarHBondContact O-N 3.09Å; Q475-S503 PolarHBondContact O-OG 2.87Å
504K86.4Confident68.9Low132 Ų13297.1 Ų97.157%0.57453%0.527SS*.EExtended strand (participates in β ladder)trans-93.2120.1178.2-172.5173.9-1771750109.8L469 Q473 K506L469-K504 HydrophobicContact CD1-CD 4.22Å; L469-K504 HydrophobicContact CD1-CG 4.37Å; Q473-K504 WeakPolarHBondContact O-CA 3.18Å; Q473-K504 VanDerWaalsContact OE1-CE 3.29Å; K504-K506 PolarHBondContact O-N 3.4Å
505K83.1Confident66.9Low98 Ų98106.3 Ų106.343%0.42659%0.591SS.*PPolyproline II helixtrans-69.7127.8168.5-65.4-176.9179.1-1790108.8Q473 Q475Q473-K505 PolarHBondContact O-N 3.18Å; Q475-K505 HydrophobicContact CB-CD 4.5Å; Q475-K505 HydrophobicContact CB-CG 4.06Å
506K62.8Low65.9Low204 Ų204104.8 Ų104.889%0.88759%0.589SS**PPolyproline II helixtrans-73.2130.3167.9-70.6-174.8178.1-178.40108.1K504 G508K504-K506 PolarHBondContact O-N 3.4Å; K506-G508 PolarHBondContact O-N 3.1Å
507E51.1Low65Low159 Ų159105.6 Ų105.674%0.74360%0.595SS**PPolyproline II helixtrans-60.7117.5168.9-83.7170.8-174.700108.4Q473Q473-E507 PolarHBondContact NE2-OE1 3.45Å; Q473-E507 VanDerWaalsContact NE2-OE1 3.17Å
508G44.6Very low63.8Low69 Ų69107.8 Ų107.871%0.71160%0.602SS**PPolyproline II helixtrans-70.9131.3163.800000108.5K506 A510K506-G508 PolarHBondContact O-N 3.1Å; G508-A510 PolarHBondContact O-N 3.03Å; G508-A510 VanDerWaalsContact O-N 3.1Å
509E37Very low62.1Low182 Ų182111.5 Ų111.585%0.8562%0.624SS**  trans-41.9112.8173.5-70.9168.9143.500111.3L511E509-L511 VanDerWaalsContact C-N 3.29Å; E509-L511 PolarHBondContact O-N 3.17Å
510A34.8Very low60.4Low77 Ų77114 Ų11464%0.63664%0.635SS**  trans-70.893.2158.500000107.5G508 F512G508-A510 PolarHBondContact O-N 3.03Å; G508-A510 VanDerWaalsContact O-N 3.1Å; A510-F512 VanDerWaalsContact C-N 3.26Å; A510-F512 HydrophobicContact CB-CD2 3.89Å; A510-F512 HydrophobicContact CB-CE2 3.81Å; A510-F512 PolarHBondContact O-N 2.97Å
511L34.9Very low58.1Low159 Ų159121.6 Ų121.683%0.83268%0.677SS**  trans-66.789.9160.3-83.1161.6000108.1E509E509-L511 VanDerWaalsContact C-N 3.29Å; E509-L511 PolarHBondContact O-N 3.17Å
512F36.4Very low55.6Low183 Ų183124.1 Ų124.180%0.80369%0.694SS**PPolyproline II helixtrans-87.7123156.1-74.2-80.2000108.3A510A510-F512 VanDerWaalsContact C-N 3.26Å; A510-F512 HydrophobicContact CB-CD2 3.89Å; A510-F512 HydrophobicContact CB-CE2 3.81Å; A510-F512 PolarHBondContact O-N 2.97Å
513P40.8Very low52.7Low123 Ų123133.5 Ų133.580%0.79975%0.747SS**PPolyproline II helixtrans-81.4127.6152.124.2-14.2000109.2
514S38.6Very low49.6Very low111 Ų111141.3 Ų141.378%0.77679%0.786SS**PPolyproline II helixtrans-66.5140.3175.641.90000114.2
515S44.7Very low46.2Very low199 Ų199142.2 Ų142.2100%1.39281%0.805SS**  -165.20129.9-70.70000109.3

Retrieved 515 of 515 residues in 198.4 ms (Link to these results)

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