A0A077Z9J2_TRITR Loading...

OLF and Collagen domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9J2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 398 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
1M52.9Low58.6Low106 Ų10679.2 Ų79.252%0.52241%0.406SS..  0133.50-143.9-177.1-142.300108.6V5 M6 F9 F84M1-V5 HydrophobicContact CE-CG1 4.06Å; M1-V5 HydrophobicContact CG-CB 4.29Å; M1-V5 HydrophobicContact CG-CG1 3.95Å; M1-V5 HydrophobicContact SD-CG1 3.97Å; M1-M6 HydrophobicContact CB-CG 3.84Å; M1-M6 HydrophobicContact CB-SD 3.72Å; M1-M6 HydrophobicContact CG-CG 4.3Å; M1-M6 HydrophobicContact CG-SD 4.13Å; M1-M6 HydrophobicContact SD-CG 4.05Å; M1-M6 HydrophobicContact SD-SD 3.38Å; M1-F9 HydrophobicContact CE-CD2 3.95Å; M1-F9 HydrophobicContact CE-CE2 3.61Å; M1-F9 HydrophobicContact CE-CZ 4.37Å; M1-F9 HydrophobicContact SD-CD2 4.28Å; M1-F9 HydrophobicContact SD-CE2 4.49Å; M1-F84 HydrophobicContact CE-CD2 4.32Å; M1-F84 HydrophobicContact CE-CE2 4.14Å; M1-F84 HydrophobicContact CE-CZ 4.36Å
2P66.7Low58.9Low84 Ų8474.5 Ų74.555%0.54538%0.383SS..  trans-59.7141.7176.9-21.933.1000111.7P4 V5 M6P2-P4 VanDerWaalsContact C-N 3.33Å; P2-V5 HydrophobicContact CB-CG2 4.21Å; P2-V5 HydrophobicContact CG-CG2 4.27Å; P2-V5 WeakPolarHBondContact O-CB 3.3Å; P2-V5 PolarHBondContact O-N 3.08Å; P2-V5 VanDerWaalsContact O-N 3.1Å; P2-M6 PolarHBondContact O-N 3.4Å; P2-M6 VanDerWaalsContact O-N 3.12Å
3K52.6Low59.3Low175 Ų17570.7 Ų70.776%0.76136%0.364SS*.Hα-helixtrans-49.3-41.3179.2-77.1-177.4177.41790114.6V5 M6 F7K3-V5 VanDerWaalsContact C-N 3.35Å; K3-V5 PolarHBondContact O-N 3.16Å; K3-M6 PolarHBondContact O-N 3.41Å; K3-F7 PolarHBondContact O-N 2.77Å
4P51.7Low59.5Low96 Ų9673.6 Ų73.662%0.62337%0.372SS*.Hα-helixtrans-63.4-40.4179.7-21.632.7000112.8P2 M6 F7 Q8P2-P4 VanDerWaalsContact C-N 3.33Å; P4-M6 VanDerWaalsContact C-N 3.34Å; P4-F7 PolarHBondContact O-N 3.48Å; P4-Q8 PolarHBondContact O-N 3.24Å
5V56.7Low59.5Low59 Ų5971.1 Ų71.136%0.35836%0.359SS..Hα-helixtrans-64-44.3177-179.30000109.5M1 P2 K3 F7 Q8 F9M1-V5 HydrophobicContact CE-CG1 4.06Å; M1-V5 HydrophobicContact CG-CB 4.29Å; M1-V5 HydrophobicContact CG-CG1 3.95Å; M1-V5 HydrophobicContact SD-CG1 3.97Å; P2-V5 HydrophobicContact CB-CG2 4.21Å; P2-V5 HydrophobicContact CG-CG2 4.27Å; P2-V5 WeakPolarHBondContact O-CB 3.3Å; P2-V5 PolarHBondContact O-N 3.08Å; P2-V5 VanDerWaalsContact O-N 3.1Å; K3-V5 VanDerWaalsContact C-N 3.35Å; K3-V5 PolarHBondContact O-N 3.16Å; V5-F7 VanDerWaalsContact C-N 3.34Å; V5-F7 PolarHBondContact O-N 3.48Å; V5-Q8 PolarHBondContact O-N 3.13Å; V5-F9 HydrophobicContact CG1-CD2 3.74Å; V5-F9 HydrophobicContact CG1-CE2 3.62Å; V5-F9 VanDerWaalsContact O-CD2 3.27Å; V5-F9 WeakPolarHBondContact O-CD2 3.4Å; V5-F9 PolarHBondContact O-N 3.27Å
6M56.6Low59.8Low22 Ų2269.2 Ų69.211%0.10835%0.347CS..Hα-helixtrans-60.5-44.3177.6-69.2-75.4-97.900112.2M1 P2 K3 P4 F9 C10 M80 Y81M1-M6 HydrophobicContact CB-CG 3.84Å; M1-M6 HydrophobicContact CB-SD 3.72Å; M1-M6 HydrophobicContact CG-CG 4.3Å; M1-M6 HydrophobicContact CG-SD 4.13Å; M1-M6 HydrophobicContact SD-CG 4.05Å; M1-M6 HydrophobicContact SD-SD 3.38Å; P2-M6 PolarHBondContact O-N 3.4Å; P2-M6 VanDerWaalsContact O-N 3.12Å; K3-M6 PolarHBondContact O-N 3.41Å; P4-M6 VanDerWaalsContact C-N 3.34Å; M6-F9 PolarHBondContact O-N 3.38Å; M6-C10 PolarHBondContact O-N 3.33Å; M6-M80 HydrophobicContact CB-CE 3.68Å; M6-M80 HydrophobicContact CB-SD 4.05Å; M6-M80 HydrophobicContact CE-CB 3.62Å; M6-M80 HydrophobicContact CE-CE 3.95Å; M6-M80 HydrophobicContact CE-CG 4.46Å; M6-M80 HydrophobicContact CE-SD 3.99Å; M6-M80 HydrophobicContact CG-CE 4.08Å; M6-M80 WeakPolarHBondContact O-CE 3.37Å; M6-M80 HydrophobicContact SD-CB 4.33Å; M6-M80 HydrophobicContact SD-CE 3.29Å; M6-M80 WeakPolarHBondContact SD-CE 3.45Å; M6-M80 HydrophobicContact SD-SD 4.08Å; M6-Y81 HydrophobicContact CE-CE1 4.49Å; M6-Y81 HydrophobicContact CE-CE2 4.42Å
7F57.2Low59.9Low146 Ų14665.9 Ų65.964%0.6433%0.332SS*.Hα-helixtrans-61.7-44.1177-101.8-87000112.1K3 P4 V5 F9 C10 I11K3-F7 PolarHBondContact O-N 2.77Å; P4-F7 PolarHBondContact O-N 3.48Å; V5-F7 VanDerWaalsContact C-N 3.34Å; V5-F7 PolarHBondContact O-N 3.48Å; F7-F9 PolarHBondContact O-N 3.5Å; F7-C10 PolarHBondContact O-N 3.5Å; F7-I11 WeakPolarHBondContact O-CG1 3.35Å; F7-I11 PolarHBondContact O-N 3.34Å
8Q58.5Low60Low82 Ų8266.2 Ų66.238%0.38335%0.347SS..Hα-helixtrans-60.9-45.2178.2-163.768.117.900111.6P4 V5 C10 I11 V12P4-Q8 PolarHBondContact O-N 3.24Å; V5-Q8 PolarHBondContact O-N 3.13Å; Q8-C10 PolarHBondContact O-N 3.35Å; Q8-I11 PolarHBondContact O-N 3.31Å; Q8-V12 WeakPolarHBondContact O-CG2 3.41Å; Q8-V12 PolarHBondContact O-N 3.43Å
9F63.2Low60Low37 Ų3767.8 Ų67.816%0.16236%0.355CS..Hα-helixtrans-61.3-41.5176.2-88.3-72.8000112.5M1 V5 M6 F7 V12 I13 M80 D190M1-F9 HydrophobicContact CE-CD2 3.95Å; M1-F9 HydrophobicContact CE-CE2 3.61Å; M1-F9 HydrophobicContact CE-CZ 4.37Å; M1-F9 HydrophobicContact SD-CD2 4.28Å; M1-F9 HydrophobicContact SD-CE2 4.49Å; V5-F9 HydrophobicContact CG1-CD2 3.74Å; V5-F9 HydrophobicContact CG1-CE2 3.62Å; V5-F9 VanDerWaalsContact O-CD2 3.27Å; V5-F9 WeakPolarHBondContact O-CD2 3.4Å; V5-F9 PolarHBondContact O-N 3.27Å; M6-F9 PolarHBondContact O-N 3.38Å; F7-F9 PolarHBondContact O-N 3.5Å; F9-V12 WeakPolarHBondContact O-CB 3.25Å; F9-V12 PolarHBondContact O-N 3.32Å; F9-I13 WeakPolarHBondContact O-CG1 3.16Å; F9-I13 PolarHBondContact O-N 3.29Å; F9-M80 HydrophobicContact CB-CE 4.08Å; F9-D190 HydrophobicContact CZ-CB 4.08Å
10C63.9Low60Low18 Ų1867.8 Ų67.812%0.12236%0.355CS..Hα-helixtrans-62.4-43.7175.9168.10000112.2M6 F7 Q8 V12 I13 K14 C75 M80M6-C10 PolarHBondContact O-N 3.33Å; F7-C10 PolarHBondContact O-N 3.5Å; Q8-C10 PolarHBondContact O-N 3.35Å; C10-V12 VanDerWaalsContact C-N 3.28Å; C10-V12 PolarHBondContact O-N 3.46Å; C10-I13 PolarHBondContact O-N 3.37Å; C10-K14 PolarHBondContact O-N 3.21Å; C10-C75 WeakPolarHBondContact CA-SG 3.28Å; C10-C75 HydrophobicContact CB-CB 3.62Å; C10-C75 WeakPolarHBondContact CB-SG 3.48Å; C10-C75 PolarHBondContact O-SG 3.1Å; C10-C75 WeakPolarHBondContact SG-CB 3.41Å; C10-C75 CovalentContact SG-SG 2.02Å; C10-C75 PolarHBondContact SG-SG 2.9Å; C10-M80 HydrophobicContact CB-SD 4.45Å
11I64.3Low59.9Low46 Ų4673.3 Ų73.324%0.23638%0.379CS..Hα-helixtrans-60.2-43.2177.7-68.5167.4000110.2F7 Q8 K14 Q15 L239F7-I11 WeakPolarHBondContact O-CG1 3.35Å; F7-I11 PolarHBondContact O-N 3.34Å; Q8-I11 PolarHBondContact O-N 3.31Å; I11-K14 PolarHBondContact O-N 3.42Å; I11-Q15 HydrophobicContact CG2-CG 4.36Å; I11-Q15 WeakPolarHBondContact O-CB 3.11Å; I11-Q15 WeakPolarHBondContact O-CG 3.48Å; I11-Q15 PolarHBondContact O-N 3.31Å; I11-L239 HydrophobicContact CD1-CD1 4.41Å; I11-L239 HydrophobicContact CG2-CD1 3.91Å
12V62.6Low60.1Low23 Ų2374.5 Ų74.514%0.13938%0.381CS..Hα-helixtrans-57.2-49.1173.8156.30000111.9Q8 F9 C10 K14 Q15 F16 L192Q8-V12 WeakPolarHBondContact O-CG2 3.41Å; Q8-V12 PolarHBondContact O-N 3.43Å; F9-V12 WeakPolarHBondContact O-CB 3.25Å; F9-V12 PolarHBondContact O-N 3.32Å; C10-V12 VanDerWaalsContact C-N 3.28Å; C10-V12 PolarHBondContact O-N 3.46Å; V12-K14 PolarHBondContact O-N 2.9Å; V12-Q15 PolarHBondContact O-N 3.08Å; V12-F16 WeakPolarHBondContact O-CB 3.38Å; V12-F16 PolarHBondContact O-N 3.11Å; V12-L192 HydrophobicContact CB-CD1 4.09Å; V12-L192 HydrophobicContact CB-CG 4.37Å; V12-L192 HydrophobicContact CG1-CD1 3.6Å; V12-L192 HydrophobicContact CG1-CD2 3.59Å; V12-L192 HydrophobicContact CG1-CG 3.63Å; V12-L192 HydrophobicContact CG2-CD1 3.78Å; V12-L192 HydrophobicContact CG2-CG 3.94Å
13I63.4Low59.4Low25 Ų2580 Ų8013%0.12839%0.391CS..Hα-helixtrans-61.9-45.3178.7-69.2168.2000110.5F9 C10 F16 C17 F24 L83F9-I13 WeakPolarHBondContact O-CG1 3.16Å; F9-I13 PolarHBondContact O-N 3.29Å; C10-I13 PolarHBondContact O-N 3.37Å; I13-F16 PolarHBondContact O-N 3.19Å; I13-C17 WeakPolarHBondContact O-CB 3.23Å; I13-C17 PolarHBondContact O-N 3.42Å; I13-F24 HydrophobicContact CG1-CE2 4.39Å; I13-F24 HydrophobicContact CG2-CD2 4.18Å; I13-F24 HydrophobicContact CG2-CE2 4.39Å; I13-L83 HydrophobicContact CD1-CD1 4.01Å
14K62Low59.4Low111 Ų11174.1 Ų74.148%0.48337%0.366SS..Hα-helixtrans-62.5-44.2178.1-76.7-173.8175.5-173.90111.9C10 I11 V12 C17 A18C10-K14 PolarHBondContact O-N 3.21Å; I11-K14 PolarHBondContact O-N 3.42Å; V12-K14 PolarHBondContact O-N 2.9Å; K14-C17 PolarHBondContact O-N 3.16Å; K14-A18 WeakPolarHBondContact O-CB 3.19Å; K14-A18 PolarHBondContact O-N 3.21Å
15Q60.6Low59.4Low36 Ų3680.9 Ų80.917%0.16838%0.379CS..Hα-helixtrans-66.5-43.3178.2-77.6170.2-15.300111.9I11 V12 C17 A18 L19 Q211I11-Q15 HydrophobicContact CG2-CG 4.36Å; I11-Q15 WeakPolarHBondContact O-CB 3.11Å; I11-Q15 WeakPolarHBondContact O-CG 3.48Å; I11-Q15 PolarHBondContact O-N 3.31Å; V12-Q15 PolarHBondContact O-N 3.08Å; Q15-C17 VanDerWaalsContact C-N 3.34Å; Q15-C17 PolarHBondContact O-N 2.77Å; Q15-A18 PolarHBondContact O-N 2.79Å; Q15-L19 WeakPolarHBondContact O-CB 3.46Å; Q15-L19 WeakPolarHBondContact O-CG 3.46Å; Q15-L19 PolarHBondContact O-N 3.38Å; Q15-Q211 VanDerWaalsContact NE2-NE2 3.16Å
16F63.1Low58.8Low41 Ų4179.4 Ų79.418%0.1838%0.376CS..Hα-helixtrans-59.3-45.9175.2179.3-89.6000111.6V12 I13 A18 L19 N20 F24 P167V12-F16 WeakPolarHBondContact O-CB 3.38Å; V12-F16 PolarHBondContact O-N 3.11Å; I13-F16 PolarHBondContact O-N 3.19Å; F16-A18 VanDerWaalsContact C-N 3.35Å; F16-A18 PolarHBondContact O-N 3.41Å; F16-L19 PolarHBondContact O-N 3.3Å; F16-N20 VanDerWaalsContact CD2-ND2 3.25Å; F16-N20 WeakPolarHBondContact CD2-ND2 3.28Å; F16-N20 WeakPolarHBondContact CE2-ND2 3.28Å; F16-N20 WeakPolarHBondContact O-CB 3.42Å; F16-N20 PolarHBondContact O-N 3.37Å; F16-F24 HydrophobicContact CB-CE2 4Å; F16-F24 AromaticContact CD1-CD2 3.58Å; F16-F24 HydrophobicContact CD1-CD2 3.58Å; F16-F24 AromaticContact CD1-CE2 3.18Å; F16-F24 HydrophobicContact CD1-CE2 3.18Å; F16-F24 AromaticContact CD1-CZ 3.99Å; F16-F24 HydrophobicContact CD1-CZ 3.99Å; F16-F24 HydrophobicContact CE1-CD2 4Å; F16-F24 AromaticContact CE1-CE2 3.77Å; F16-F24 HydrophobicContact CE1-CE2 3.77Å; F16-F24 HydrophobicContact CE1-CZ 4.26Å; F16-F24 HydrophobicContact CG-CD2 4.47Å; F16-F24 AromaticContact CG-CE2 3.7Å; F16-F24 HydrophobicContact CG-CE2 3.7Å; F16-F24 HydrophobicContact CG-CZ 4.33Å; F16-P167 HydrophobicContact CD2-CG 3.78Å; F16-P167 HydrophobicContact CE2-CG 3.5Å; F16-P167 VanDerWaalsContact CE2-CG 3.5Å; F16-P167 HydrophobicContact CZ-CG 4.29Å
17C61.6Low58.2Low13 Ų1381.6 Ų81.69%0.08840%0.397CS..Hα-helixtrans-61.7-41.3175.4-85.80000112.6I13 K14 Q15 H21 C73I13-C17 WeakPolarHBondContact O-CB 3.23Å; I13-C17 PolarHBondContact O-N 3.42Å; K14-C17 PolarHBondContact O-N 3.16Å; Q15-C17 VanDerWaalsContact C-N 3.34Å; Q15-C17 PolarHBondContact O-N 2.77Å; C17-H21 PolarHBondContact O-N 2.93Å; C17-C73 HydrophobicContact CB-CB 3.6Å; C17-C73 WeakPolarHBondContact CB-SG 3.23Å; C17-C73 VanDerWaalsContact SG-CA 3.59Å; C17-C73 WeakPolarHBondContact SG-CB 3.44Å; C17-C73 CovalentContact SG-SG 2.04Å; C17-C73 PolarHBondContact SG-SG 3.49Å
18A61.9Low57.7Low72 Ų7279.9 Ų79.960%0.59540%0.401SS*.Hα-helixtrans-66.8-40.1179.800000112.3K14 Q15 F16K14-A18 WeakPolarHBondContact O-CB 3.19Å; K14-A18 PolarHBondContact O-N 3.21Å; Q15-A18 PolarHBondContact O-N 2.79Å; F16-A18 VanDerWaalsContact C-N 3.35Å; F16-A18 PolarHBondContact O-N 3.41Å
19L59.5Low56.9Low96 Ų9678.2 Ų78.250%0.50341%0.405SS..Hα-helixtrans-79.4-36.9-176.9-72.4165.8000113.4Q15 F16 I165Q15-L19 WeakPolarHBondContact O-CB 3.46Å; Q15-L19 WeakPolarHBondContact O-CG 3.46Å; Q15-L19 PolarHBondContact O-N 3.38Å; F16-L19 PolarHBondContact O-N 3.3Å; L19-I165 HydrophobicContact CD1-CD1 3.59Å
20N61Low56.1Low68 Ų6884.5 Ų84.536%0.36444%0.435SS..Hα-helixtrans-97.51.5-171-72.2-46.7000114.6F16 K22F16-N20 VanDerWaalsContact CD2-ND2 3.25Å; F16-N20 WeakPolarHBondContact CD2-ND2 3.28Å; F16-N20 WeakPolarHBondContact CE2-ND2 3.28Å; F16-N20 WeakPolarHBondContact O-CB 3.42Å; F16-N20 PolarHBondContact O-N 3.37Å; N20-K22 HydrophobicContact CB-CB 4.37Å; N20-K22 VanDerWaalsContact O-CG 3.26Å; N20-K22 WeakPolarHBondContact O-CG 3.49Å; N20-K22 PolarHBondContact O-N 3.02Å
21H56.8Low55.4Low183 Ų18394.2 Ų94.285%0.84747%0.469SS*.  trans48.520-173.7-64.6-74.3000114.5C17C17-H21 PolarHBondContact O-N 2.93Å
22K57.6Low54.5Low132 Ų13294.1 Ų94.157%0.57448%0.479SS*.  trans-114.5139.8-172.2-79168.5-172.2175.10109.6N20N20-K22 HydrophobicContact CB-CB 4.37Å; N20-K22 VanDerWaalsContact O-CG 3.26Å; N20-K22 WeakPolarHBondContact O-CG 3.49Å; N20-K22 PolarHBondContact O-N 3.02Å
23R53.3Low54.1Low199 Ų199100.8 Ų100.875%0.75151%0.513SS*.PPolyproline II helixtrans-70137.7163.3-66.6-176.5-178.1-174.9-0.3108.2R25R23-R25 PolarHBondContact O-N 2.96Å
24F51.4Low53.9Low52 Ų52106.1 Ų106.123%0.22854%0.541CS..PPolyproline II helixtrans-58.1126.3169.9-116.2-88.9000108.2I13 F16 G26 G71I13-F24 HydrophobicContact CG1-CE2 4.39Å; I13-F24 HydrophobicContact CG2-CD2 4.18Å; I13-F24 HydrophobicContact CG2-CE2 4.39Å; F16-F24 HydrophobicContact CB-CE2 4Å; F16-F24 AromaticContact CD1-CD2 3.58Å; F16-F24 HydrophobicContact CD1-CD2 3.58Å; F16-F24 AromaticContact CD1-CE2 3.18Å; F16-F24 HydrophobicContact CD1-CE2 3.18Å; F16-F24 AromaticContact CD1-CZ 3.99Å; F16-F24 HydrophobicContact CD1-CZ 3.99Å; F16-F24 HydrophobicContact CE1-CD2 4Å; F16-F24 AromaticContact CE1-CE2 3.77Å; F16-F24 HydrophobicContact CE1-CE2 3.77Å; F16-F24 HydrophobicContact CE1-CZ 4.26Å; F16-F24 HydrophobicContact CG-CD2 4.47Å; F16-F24 AromaticContact CG-CE2 3.7Å; F16-F24 HydrophobicContact CG-CE2 3.7Å; F16-F24 HydrophobicContact CG-CZ 4.33Å; F24-G26 PolarHBondContact O-N 3.07Å; F24-G71 CarbonylContact O-C 3.58Å; F24-G71 WeakPolarHBondContact O-CA 3.38Å; F24-G71 PolarHBondContact O-N 2.83Å
25R52.2Low53.4Low237 Ų237103.6 Ų103.689%0.89455%0.547SS*.BIsolated β-bridgetrans-73.2125.4164-115.8179.7-177.1177.61.1106.1R23R23-R25 PolarHBondContact O-N 2.96Å
26G44.4Very low53.2Low29 Ų29110.2 Ų110.230%0.29958%0.583SS.*PPolyproline II helixtrans-55.2156.317400000111F24F24-G26 PolarHBondContact O-N 3.07Å
27A43.3Very low53.3Low67 Ų67119.8 Ų119.855%0.55462%0.618SS**PPolyproline II helixtrans-52.7141.3173.400000109.7G29A27-G29 PolarHBondContact O-N 2.96Å
28P47.5Very low53.2Low111 Ų111121.6 Ų121.672%0.72164%0.638SS**PPolyproline II helixtrans-51.3137.6170.8-23.232.7000109.9
29G42.1Very low53.5Low46 Ų46123.9 Ų123.947%0.47465%0.647SS.*PPolyproline II helixtrans-54.4147.5175.600000110.9A27 R31A27-G29 PolarHBondContact O-N 2.96Å; G29-R31 PolarHBondContact O-N 3.4Å
30Q46Very low54.2Low169 Ų169125.3 Ų125.379%0.7966%0.662SS**PPolyproline II helixtrans-55.2138.4176.2-68.6-1774.900109.8G32Q30-G32 PolarHBondContact O-N 3.27Å
31R49.8Very low54.4Low223 Ų223125.4 Ų125.484%0.84268%0.679SS**PPolyproline II helixtrans-57.8126.3172-162.2-179-159.7-168.62.5107.2G29G29-R31 PolarHBondContact O-N 3.4Å
32G44.3Very low55.1Low43 Ų43124.6 Ų124.644%0.44368%0.681SS.*PPolyproline II helixtrans-54.9148.217400000110.3Q30 D34Q30-G32 PolarHBondContact O-N 3.27Å; G32-D34 PolarHBondContact O-N 3.26Å
33I54.5Low55.5Low164 Ų164128.2 Ų128.284%0.84170%0.697SS**PPolyproline II helixtrans-54.8137.1173.955.3174.5000109.6G35I33-G35 PolarHBondContact O-N 3.49Å
34D60.1Low55.8Low136 Ų136121.5 Ų121.573%0.72769%0.689SS**PPolyproline II helixtrans-58.9131.7172-70-30.1000108.3G32G32-D34 PolarHBondContact O-N 3.26Å
35G50.4Low56.3Low59 Ų59125.1 Ų125.161%0.60872%0.718SS**PPolyproline II helixtrans-59.1141178.500000110.9I33 R37I33-G35 PolarHBondContact O-N 3.49Å; G35-R37 PolarHBondContact O-N 2.65Å
36L56.5Low56.8Low174 Ų174123 Ų12391%0.91172%0.723SS**PPolyproline II helixtrans-54.1131.1175.1-71.9167.9000109.8G38L36-G38 PolarHBondContact O-N 3.08Å
37R65.3Low57.2Low243 Ų243124.2 Ų124.292%0.91774%0.736SS**PPolyproline II helixtrans-58.9126.3172.1-170.1177.9-171.5177.93108.1G35G35-R37 PolarHBondContact O-N 2.65Å
38G59.9Low57.4Low50 Ų50129.3 Ų129.352%0.51575%0.753SS.*PPolyproline II helixtrans-56151.5176.700000111.8L36L36-G38 PolarHBondContact O-N 3.08Å
39P68.5Low57.6Low121 Ų121131.4 Ų131.479%0.78676%0.764SS**PPolyproline II helixtrans-56.9147.5178.224.1-32.8000110.7G41P39-G41 PolarHBondContact O-N 3.04Å
40P72.9Confident58.1Low126 Ų126132.2 Ų132.282%0.81877%0.773SS**PPolyproline II helixtrans-53.2136.6169.3-21.431.9000110
41G65.6Low58.3Low69 Ų69132.4 Ų132.471%0.71178%0.778SS**PPolyproline II helixtrans-60.5147.4175.200000111.4P39 K43P39-G41 PolarHBondContact O-N 3.04Å; G41-K43 PolarHBondContact O-N 3.11Å
42D71.6Confident58.5Low166 Ų166130.6 Ų130.689%0.88878%0.779SS**PPolyproline II helixtrans-54138.9179.1-69.8-36.4000111.2G44D42-G44 PolarHBondContact O-N 3.27Å; D42-G44 VanDerWaalsContact O-N 3.13Å
43K65.9Low59.1Low209 Ų209131.6 Ų131.691%0.90979%0.789SS**PPolyproline II helixtrans-62.8118.2175.5-136.1179-169.9179.40107.6G41G41-K43 PolarHBondContact O-N 3.11Å
44G59.8Low59.3Low58 Ų58130.8 Ų130.860%0.59879%0.792SS**PPolyproline II helixtrans-54.2148.5174.100000111D42D42-G44 PolarHBondContact O-N 3.27Å; D42-G44 VanDerWaalsContact O-N 3.13Å
45P62.1Low59.4Low128 Ų128133.9 Ų133.983%0.83180%0.799SS**PPolyproline II helixtrans-54.5144.8176.522.1-31.4000110.5G47P45-G47 PolarHBondContact O-N 2.86Å
46L63Low59.7Low192 Ų192133.5 Ų133.5100%1.00580%0.795SS**SBendtrans-67.380.9176.9-160.389000108.9
47G51.4Low59.8Low55 Ų55131.5 Ų131.557%0.56779%0.792SS**  trans-125.7132.5-175.300000110.4P45 T49P45-G47 PolarHBondContact O-N 2.86Å; G47-T49 PolarHBondContact O-N 3.23Å; G47-T49 VanDerWaalsContact O-N 3.16Å
48L49.3Very low59.7Low173 Ų173127.9 Ų127.991%0.90679%0.79SS**THydrogen-bonded Turntrans-36.2115.4176.4-66159000111.4G50L48-G50 PolarHBondContact O-N 3.37Å; L48-G50 VanDerWaalsContact O-N 3.08Å
49T51.7Low59.4Low155 Ų155128.2 Ų128.295%0.95179%0.793SS**THydrogen-bonded Turntrans29.865.7165.9-32.80000114.7G47G47-T49 PolarHBondContact O-N 3.23Å; G47-T49 VanDerWaalsContact O-N 3.16Å
50G51.4Low58.9Low64 Ų64128.9 Ų128.966%0.6680%0.795SS**  trans-113.8128.3-179.800000112.2L48L48-G50 PolarHBondContact O-N 3.37Å; L48-G50 VanDerWaalsContact O-N 3.08Å
51L51.5Low58.3Low173 Ų173131.9 Ų131.991%0.90680%0.798SS**  trans3.4136167.9-65.3162.2000119.2G53L51-G53 PolarHBondContact O-N 2.94Å
52Q54.2Low57.8Low185 Ų185131 Ų13186%0.86479%0.789SS**  trans-45.7125172.9-168.5173.914.100111.3
53G55.8Low57Low64 Ų64129.2 Ų129.266%0.6679%0.785SS**PPolyproline II helixtrans-58.6141.2179.200000111.9L51L51-G53 PolarHBondContact O-N 2.94Å
54V59.3Low56.6Low146 Ų146128.1 Ų128.189%0.88578%0.783SS**PPolyproline II helixtrans-56.8135.1174.7-97.30000110.7G56V54-G56 PolarHBondContact O-N 3.33Å
55F61.1Low56.2Low202 Ų202127.3 Ų127.389%0.88677%0.774SS**PPolyproline II helixtrans-55.5134.2172.1-106.2-93000109.7
56G57.1Low55.7Low50 Ų50128.4 Ų128.452%0.51577%0.773SS.*PPolyproline II helixtrans-59.6156.417300000111.6V54 I58V54-G56 PolarHBondContact O-N 3.33Å; G56-I58 PolarHBondContact O-N 2.92Å
57P59.7Low55.2Low132 Ų132123.7 Ų123.786%0.85776%0.762SS**PPolyproline II helixtrans-56.2140.1-178.623.6-33000111.3G59P57-G59 PolarHBondContact O-N 3.49Å
58I62.4Low55Low168 Ų168123.2 Ų123.286%0.86276%0.757SS**PPolyproline II helixtrans-58129.3172.6-64.6172.8000107.9G56G56-I58 PolarHBondContact O-N 2.92Å
59G53.6Low55.1Low57 Ų57121.6 Ų121.659%0.58875%0.748SS**PPolyproline II helixtrans-56.9142175.300000110.8P57 Q61P57-G59 PolarHBondContact O-N 3.49Å; G59-Q61 PolarHBondContact O-N 3.49Å
60T57.4Low55.1Low134 Ų134120.8 Ų120.882%0.82274%0.738SS**PPolyproline II helixtrans-54.5131177.6500000110.3G62T60-G62 PolarHBondContact O-N 3.48Å
61Q61.5Low55.1Low189 Ų189118.6 Ų118.688%0.88372%0.716SS**PPolyproline II helixtrans-53.2129.7173.5-176.7177.5-8.600109.2G59G59-Q61 PolarHBondContact O-N 3.49Å
62G54.4Low55.2Low52 Ų52114 Ų11454%0.53670%0.695SS.*PPolyproline II helixtrans-56.2141.5175.400000110.5T60 Q64T60-G62 PolarHBondContact O-N 3.48Å; G62-Q64 PolarHBondContact O-N 3.29Å
63T54.8Low55.4Low128 Ų128107.8 Ų107.879%0.78567%0.671SS**PPolyproline II helixtrans-56.4131.8176.8500000109.9G65T63-G65 PolarHBondContact O-N 3.03Å
64Q58.1Low55.5Low186 Ų186109.1 Ų109.187%0.86966%0.664SS**PPolyproline II helixtrans-53.9125.2171.3179.9176.9-21.100108.7G62G62-Q64 PolarHBondContact O-N 3.29Å
65G51.2Low55.5Low41 Ų41103.5 Ų103.542%0.42363%0.63SS.*PPolyproline II helixtrans-59.2146.1176.100000110.6T63 A67T63-G65 PolarHBondContact O-N 3.03Å; G65-A67 PolarHBondContact O-N 3.14Å
66N51.2Low55.6Low150 Ų15096.3 Ų96.380%0.80260%0.603SS**PPolyproline II helixtrans-51.8138.2178-66.6-14.5000110.1G68N66-G68 PolarHBondContact O-N 2.62Å
67A51.7Low55.8Low94 Ų9498.9 Ų98.978%0.77761%0.609SS**PPolyproline II helixtrans-53.2133.2172.500000109.1G65 L69G65-A67 PolarHBondContact O-N 3.14Å; A67-L69 PolarHBondContact O-N 3.43Å
68G47.9Very low56Low45 Ų4599.3 Ų99.346%0.46460%0.599SS.*PPolyproline II helixtrans-56.5136.1174.900000109.7N66 N70N66-G68 PolarHBondContact O-N 2.62Å; G68-N70 PolarHBondContact O-N 2.76Å
69L51.1Low55.8Low138 Ų13893.6 Ų93.672%0.72357%0.571SS**PPolyproline II helixtrans-59.4136.6175.4-76.2158.6000109.2A67 G71A67-L69 PolarHBondContact O-N 3.43Å; L69-G71 PolarHBondContact O-N 3.44Å; L69-G71 VanDerWaalsContact O-N 3.1Å
70N51.3Low55.9Low138 Ų13891.7 Ų91.774%0.73855%0.547SS*.BIsolated β-bridgetrans-60.5115.3171-76.1-30.2000107.9G68 T72G68-N70 PolarHBondContact O-N 2.76Å; N70-T72 PolarHBondContact O-N 3.4Å; N70-T72 VanDerWaalsContact O-N 3.08Å
71G51.2Low55.9Low18 Ų1891.6 Ų91.619%0.18653%0.532CS..  trans-66.3114.3176.100000109.2F24 L69F24-G71 CarbonylContact O-C 3.58Å; F24-G71 WeakPolarHBondContact O-CA 3.38Å; F24-G71 PolarHBondContact O-N 2.83Å; L69-G71 PolarHBondContact O-N 3.44Å; L69-G71 VanDerWaalsContact O-N 3.1Å
72T54.5Low55.6Low76 Ų7687.1 Ų87.147%0.46651%0.514SS..  trans-84.3142.6171.240.10000109.2N70 N74N70-T72 PolarHBondContact O-N 3.4Å; N70-T72 VanDerWaalsContact O-N 3.08Å; T72-N74 PolarHBondContact O-N 2.8Å
73C57.4Low55.6Low55 Ų5588.8 Ų88.837%0.37251%0.51SS..SBendtrans-73.632.3171.2-65.80000112.4C17C17-C73 HydrophobicContact CB-CB 3.6Å; C17-C73 WeakPolarHBondContact CB-SG 3.23Å; C17-C73 VanDerWaalsContact SG-CA 3.59Å; C17-C73 WeakPolarHBondContact SG-CB 3.44Å; C17-C73 CovalentContact SG-SG 2.04Å; C17-C73 PolarHBondContact SG-SG 3.49Å
74N58.4Low55.2Low93 Ų9387.2 Ų87.250%0.49749%0.493SS..  trans-112.6139.2177.3-157.38.1000108.1T72T72-N74 PolarHBondContact O-N 2.8Å
75C59.4Low54.3Low27 Ų2782.7 Ų82.718%0.18248%0.48CS..  trans-101.971.6176.2-55.60000108.9C10C10-C75 WeakPolarHBondContact CA-SG 3.28Å; C10-C75 HydrophobicContact CB-CB 3.62Å; C10-C75 WeakPolarHBondContact CB-SG 3.48Å; C10-C75 PolarHBondContact O-SG 3.1Å; C10-C75 WeakPolarHBondContact SG-CB 3.41Å; C10-C75 CovalentContact SG-SG 2.02Å; C10-C75 PolarHBondContact SG-SG 2.9Å
76T64.2Low54Low52 Ų5286.2 Ų86.232%0.31949%0.493SS..  trans-73.8147.7166.771.60000108.3E78 D79 M80T76-E78 PolarHBondContact O-N 2.96Å; T76-E78 VanDerWaalsContact O-N 3.14Å; T76-D79 WeakPolarHBondContact CB-OD2 3.25Å; T76-D79 PolarHBondContact N-OD2 3.47Å; T76-D79 PolarHBondContact O-N 3.27Å; T76-D79 VanDerWaalsContact O-N 3.14Å; T76-D79 PolarHBondContact OG1-N 3.1Å; T76-D79 PolarHBondContact OG1-OD2 2.84Å; T76-M80 PolarHBondContact O-N 2.72Å; T76-M80 VanDerWaalsContact O-N 3.12Å
77T60Low53.1Low104 Ų10485.9 Ų85.964%0.63850%0.497SS*.Hα-helixtrans-54.1-3117225.20000111.5M80 Y81T77-M80 PolarHBondContact O-N 2.99Å; T77-Y81 WeakPolarHBondContact O-CD2 3.29Å; T77-Y81 PolarHBondContact O-N 2.64Å; T77-Y81 VanDerWaalsContact O-N 3.11Å
78E63.4Low52.3Low140 Ų14086.2 Ų86.265%0.65449%0.493SS*.Hα-helixtrans-68.9-46.2177.3-161.5138.6-164.500112T76 M80 Y81 N82T76-E78 PolarHBondContact O-N 2.96Å; T76-E78 VanDerWaalsContact O-N 3.14Å; E78-M80 PolarHBondContact O-N 3.31Å; E78-Y81 PolarHBondContact O-N 3.2Å; E78-N82 WeakPolarHBondContact O-CB 3.11Å; E78-N82 PolarHBondContact O-N 3.03Å; E78-N82 PolarHBondContact O-ND2 2.96Å; E78-N82 VanDerWaalsContact O-ND2 3.07Å
79D60Low51.4Low49 Ų4990 Ų9026%0.26251%0.508SS..Hα-helixtrans-57.5-37.7173.4-63.4-39.9000111.7T76 N82 L83T76-D79 WeakPolarHBondContact CB-OD2 3.25Å; T76-D79 PolarHBondContact N-OD2 3.47Å; T76-D79 PolarHBondContact O-N 3.27Å; T76-D79 VanDerWaalsContact O-N 3.14Å; T76-D79 PolarHBondContact OG1-N 3.1Å; T76-D79 PolarHBondContact OG1-OD2 2.84Å; D79-N82 PolarHBondContact O-N 3.14Å; D79-L83 WeakPolarHBondContact O-CG 3.33Å; D79-L83 PolarHBondContact O-N 2.88Å; D79-L83 VanDerWaalsContact O-N 3.08Å
80M55.7Low50.4Low16 Ų1692.9 Ų92.98%0.07952%0.517CS..Hα-helixtrans-68.3-42.5178.6-71.2-159.977.400113.8M6 F9 C10 T76 T77 E78 N82 L83M6-M80 HydrophobicContact CB-CE 3.68Å; M6-M80 HydrophobicContact CB-SD 4.05Å; M6-M80 HydrophobicContact CE-CB 3.62Å; M6-M80 HydrophobicContact CE-CE 3.95Å; M6-M80 HydrophobicContact CE-CG 4.46Å; M6-M80 HydrophobicContact CE-SD 3.99Å; M6-M80 HydrophobicContact CG-CE 4.08Å; M6-M80 WeakPolarHBondContact O-CE 3.37Å; M6-M80 HydrophobicContact SD-CB 4.33Å; M6-M80 HydrophobicContact SD-CE 3.29Å; M6-M80 WeakPolarHBondContact SD-CE 3.45Å; M6-M80 HydrophobicContact SD-SD 4.08Å; F9-M80 HydrophobicContact CB-CE 4.08Å; C10-M80 HydrophobicContact CB-SD 4.45Å; T76-M80 PolarHBondContact O-N 2.72Å; T76-M80 VanDerWaalsContact O-N 3.12Å; T77-M80 PolarHBondContact O-N 2.99Å; E78-M80 PolarHBondContact O-N 3.31Å; M80-N82 VanDerWaalsContact C-N 3.31Å; M80-L83 PolarHBondContact O-N 2.77Å
81Y56.9Low49.3Very low133 Ų13393.1 Ų93.152%0.52252%0.524SS..Hα-helixtrans-68.7-32.4174.3-78.8-68.3000111.7M6 T77 E78 F84M6-Y81 HydrophobicContact CE-CE1 4.49Å; M6-Y81 HydrophobicContact CE-CE2 4.42Å; T77-Y81 WeakPolarHBondContact O-CD2 3.29Å; T77-Y81 PolarHBondContact O-N 2.64Å; T77-Y81 VanDerWaalsContact O-N 3.11Å; E78-Y81 PolarHBondContact O-N 3.2Å; Y81-F84 CarbonylContact O-C 3.59Å; Y81-F84 PolarHBondContact O-N 3.14Å
82N55.8Low48.4Very low95 Ų9599.8 Ų99.851%0.50856%0.555SS.*Hα-helixtrans-70.6-28.7177.5-70.7-29.7000113.4E78 D79 M80 F84E78-N82 WeakPolarHBondContact O-CB 3.11Å; E78-N82 PolarHBondContact O-N 3.03Å; E78-N82 PolarHBondContact O-ND2 2.96Å; E78-N82 VanDerWaalsContact O-ND2 3.07Å; D79-N82 PolarHBondContact O-N 3.14Å; M80-N82 VanDerWaalsContact C-N 3.31Å; N82-F84 VanDerWaalsContact C-N 3.29Å
83L54Low47Very low86 Ų86107.4 Ų107.445%0.4558%0.576SS.*Hα-helixtrans-70.5-25.2173.3-78.1161.1000112.8I13 D79 M80I13-L83 HydrophobicContact CD1-CD1 4.01Å; D79-L83 WeakPolarHBondContact O-CG 3.33Å; D79-L83 PolarHBondContact O-N 2.88Å; D79-L83 VanDerWaalsContact O-N 3.08Å; M80-L83 PolarHBondContact O-N 2.77Å
84F46.7Very low45.8Very low96 Ų96112.8 Ų112.842%0.42160%0.6SS.*SBendtrans-134.879.9178.7-60.9-80.9000110.4M1 Y81 N82 T86M1-F84 HydrophobicContact CE-CD2 4.32Å; M1-F84 HydrophobicContact CE-CE2 4.14Å; M1-F84 HydrophobicContact CE-CZ 4.36Å; Y81-F84 CarbonylContact O-C 3.59Å; Y81-F84 PolarHBondContact O-N 3.14Å; N82-F84 VanDerWaalsContact C-N 3.29Å; F84-T86 PolarHBondContact O-N 3.43Å
85P39.2Very low44.2Very low91 Ų91115.4 Ų115.459%0.59161%0.612SS**  trans-64.6106.6177.422.8-25.6000108.2T87P85-T87 PolarHBondContact O-N 3.12Å; P85-T87 VanDerWaalsContact O-N 3.11Å
86T43.3Very low42.8Very low114 Ų114124.1 Ų124.170%0.69965%0.647SS**  trans-63.3113.8168.547.70000107.1F84 S88F84-T86 PolarHBondContact O-N 3.43Å; T86-S88 PolarHBondContact O-N 2.82Å; T86-S88 VanDerWaalsContact O-N 3.08Å
87T34Very low41.1Very low144 Ų144130.1 Ų130.188%0.88367%0.669SS**  trans-54115.2166.230.30000108.7P85 T89P85-T87 PolarHBondContact O-N 3.12Å; P85-T87 VanDerWaalsContact O-N 3.11Å; T87-T89 PolarHBondContact O-N 2.87Å
88S34.5Very low39.5Very low100 Ų100130.8 Ų130.870%0.69968%0.678SS**  trans-66.8128.4172.750.40000109.9T86T86-S88 PolarHBondContact O-N 2.82Å; T86-S88 VanDerWaalsContact O-N 3.08Å
89T27.4Very low37.8Very low126 Ų126135.9 Ų135.977%0.77369%0.691SS**  trans53.7111.1144.457.90000118.3T87T87-T89 PolarHBondContact O-N 2.87Å
90E31.7Very low36.1Very low197 Ų197139.4 Ų139.492%0.92171%0.714SS**  -153.2115.7127.4-110.3167.2-164.100108.5D92E90-D92 PolarHBondContact O-N 3.1Å
91T28.1Very low34.8Very low144 Ų144144.6 Ų144.688%0.88375%0.747SS**  trans-71114.9170.4420000108.6
92D31.6Very low33.7Very low157 Ų157144.5 Ų144.584%0.8476%0.761SS**  trans-133.9121.8160-125.8-14.2000111.5E90 L94E90-D92 PolarHBondContact O-N 3.1Å; D92-L94 PolarHBondContact O-N 3.08Å
93R26Very low32.6Very low237 Ų237148.2 Ų148.289%0.89477%0.772SS**  trans-77.2110.1-178.4-74.5177.1172.5-176.5-1.4108.5
94L31.2Very low31.4Very low167 Ų167151.3 Ų151.387%0.87478%0.784SS**  trans-115.2106.2164.1-87.9156.2000110.5D92 F96D92-L94 PolarHBondContact O-N 3.08Å; L94-F96 PolarHBondContact O-N 3.4Å
95I25.9Very low30.7Very low149 Ų149153.2 Ų153.276%0.76480%0.804SS**  trans-67.8118.1172.2-64.8162.4000108K97I95-K97 HydrophobicContact CG2-CG 4.42Å
96F29.3Very low30Very low210 Ų210160.6 Ų160.692%0.92182%0.82SS**  trans-105.4108.4164.2-144.1-94.2000109.5L94L94-F96 PolarHBondContact O-N 3.4Å
97K29.2Very low29.5Very low178 Ų178161.2 Ų161.277%0.77482%0.824SS**  trans-67126.7173.5-77.3177.7173.5175.70109.5I95I95-K97 HydrophobicContact CG2-CG 4.42Å
98S24.7Very low29.3Very low118 Ų118162.7 Ų162.783%0.82582%0.821SS**  trans-71.7131.7159.752.10000109.4
99R27.6Very low29.2Very low247 Ų247165 Ų16593%0.93282%0.824SS**  trans-131.4110168.2-139.8178.7-170.5-179.21.2108.8
100T25.3Very low29.1Very low122 Ų122166.6 Ų166.675%0.74883%0.827SS**  trans-75.5166.8171.56.40000111.8
101T27.7Very low29.3Very low126 Ų126163.6 Ų163.677%0.77382%0.817SS**  trans84.2116159.950.30000119.8
102T33.7Very low29.3Very low130 Ų130165 Ų16580%0.79882%0.819SS**  167.4107.6104.741.10000108.1
103K33.6Very low29.5Very low174 Ų174165.5 Ų165.576%0.75781%0.814SS**  68.2117.594.9-95.1-167.6167.7-134.60115.9
104E29.6Very low29.6Very low150 Ų150162.4 Ų162.470%0.70181%0.81SS**  trans67.8104.6140.9-64.3169.6-154.800119.2
105V30.4Very low29.7Very low137 Ų137157.9 Ų157.983%0.8379%0.792SS**  -145.7114.6121.9-179.60000108.7
106R25.7Very low30.4Very low246 Ų246158.3 Ų158.393%0.92879%0.791SS**  trans-80.8127161.7-89.2176.1169.3158.7-4.3107.8
107T31.9Very low31.6Very low127 Ų127155.8 Ų155.878%0.77979%0.786SS**  trans-153134.6148.4-10.80000109.3
108Q29.5Very low33.5Very low175 Ų175154.9 Ų154.982%0.81879%0.788SS**  trans-66.3134.5-168.6-64.8156-48.300112
109I33.4Very low36Very low149 Ų149150.2 Ų150.276%0.76476%0.757SS**  trans-132.393.9147.3-58.4-179.9000106.1L111I109-L111 HydrophobicContact CG2-CB 4.23Å; I109-L111 HydrophobicContact CG2-CD1 3.95Å; I109-L111 HydrophobicContact CG2-CG 4.24Å; I109-L111 PolarHBondContact O-N 2.82Å
110N25.6Very low38.8Very low159 Ų159143 Ų14385%0.8574%0.735SS**  trans-73.3104.9155.5-82-11.8000106.3
111L34.8Very low41.8Very low134 Ų134142.1 Ų142.170%0.70272%0.723SS**  trans-137.3103.1155.5-89.2162.5000105.1I109 F113I109-L111 HydrophobicContact CG2-CB 4.23Å; I109-L111 HydrophobicContact CG2-CD1 3.95Å; I109-L111 HydrophobicContact CG2-CG 4.24Å; I109-L111 PolarHBondContact O-N 2.82Å; L111-F113 PolarHBondContact O-N 2.92Å
112D28.3Very low44.9Very low173 Ų173137.4 Ų137.493%0.92570%0.695SS**  trans-55.488.3159.7-68.1-38.6000107.3
113F35.1Very low47.8Very low168 Ų168133.7 Ų133.774%0.73767%0.669SS**  trans-107.175.3168.7-147.7-97.6000105.5L111 S115L111-F113 PolarHBondContact O-N 2.92Å; F113-S115 PolarHBondContact O-N 2.86Å
114E29.4Very low50.7Low172 Ų172125.6 Ų125.680%0.80463%0.634SS**  trans-58.689.1143.7-89.7-170.9159.400105.2Q116E114-Q116 PolarHBondContact O-N 3.03Å
115S32.7Very low53.8Low71 Ų71122.4 Ų122.450%0.49762%0.62SS.*  trans-63.381158.748.50000106.5F113 L117F113-S115 PolarHBondContact O-N 2.86Å; S115-L117 PolarHBondContact O-N 3.26Å
116Q40.1Very low56.8Low158 Ų158122 Ų12274%0.73861%0.607SS**  trans-60.688.6145.3-75.1-175.9-000104.7E114 I118E114-Q116 PolarHBondContact O-N 3.03Å; Q116-I118 VanDerWaalsContact C-N 3.34Å; Q116-I118 PolarHBondContact O-N 2.87Å
117L55.1Low60.2Low157 Ų157111 Ų11182%0.82257%0.567SS**  trans-50.4108.2162.7-93.6136.8000105.4S115 A119S115-L117 PolarHBondContact O-N 3.26Å; L117-A119 PolarHBondContact O-N 3.42Å
118I68.4Low63.2Low159 Ų159106.5 Ų106.582%0.81555%0.545SS*.  trans-61.1112.4178.6-63.6172.9000105.6Q116 I120Q116-I118 VanDerWaalsContact C-N 3.34Å; Q116-I118 PolarHBondContact O-N 2.87Å; I118-I120 PolarHBondContact O-N 2.92Å
119A78.8Confident66.4Low21 Ų21103.7 Ų103.717%0.17454%0.54CS..  trans-60.6136.5177.600000109.1L117 E121 N278 Y349L117-A119 PolarHBondContact O-N 3.42Å; A119-E121 PolarHBondContact O-N 3.26Å; A119-N278 WeakPolarHBondContact CA-OD1 3.33Å; A119-Y349 HydrophobicContact CB-CD1 4.19Å; A119-Y349 HydrophobicContact CB-CD2 4.03Å; A119-Y349 HydrophobicContact CB-CE1 3.79Å; A119-Y349 HydrophobicContact CB-CE2 3.58Å; A119-Y349 HydrophobicContact CB-CG 4.33Å; A119-Y349 VanDerWaalsContact CB-CZ 3.47Å
120I85.3Confident69.4Low94 Ų9498.2 Ų98.248%0.48252%0.515SS..  trans-78.8116.6171.9-63.8171.9000106.7I118 E277 N278 C326I118-I120 PolarHBondContact O-N 2.92Å; I120-E277 HydrophobicContact CB-CB 3.81Å; I120-E277 HydrophobicContact CD1-CB 4.03Å; I120-E277 HydrophobicContact CG1-CB 4.49Å; I120-E277 HydrophobicContact CG2-CB 3.87Å; I120-E277 HydrophobicContact CG2-CG 4.04Å; I120-N278 PolarHBondContact N-OD1 2.82Å; I120-N278 PolarHBondContact O-ND2 2.88Å; I120-N278 VanDerWaalsContact O-ND2 3.12Å; I120-C326 CarbonylContact O-C 3.56Å; I120-C326 WeakPolarHBondContact O-CA 3.41Å; I120-C326 WeakPolarHBondContact O-CB 3.32Å
121E88Confident72.8Confident104 Ų10494 Ų9449%0.48649%0.494SS..  trans-112.4134.7-178-65-176.7172.600110.4A119 H347A119-E121 PolarHBondContact O-N 3.26Å; E121-H347 IonicContact OE1-CE1 2.64Å; E121-H347 PolarHBondContact OE1-CE1 3.12Å; E121-H347 IonicContact OE1-NE2 2.7Å
122C93.3Very high75.8Confident28 Ų2892.1 Ų92.119%0.18948%0.481CS..  trans-160.1159.8175.981.50000109.3C326 V394C122-C326 HydrophobicContact CB-CB 3.7Å; C122-C326 WeakPolarHBondContact CB-SG 3.35Å; C122-C326 WeakPolarHBondContact SG-CB 3.4Å; C122-C326 CovalentContact SG-SG 2.03Å; C122-C326 PolarHBondContact SG-SG 2.73Å; C122-V394 HydrophobicContact CB-CB 4.31Å; C122-V394 HydrophobicContact CB-CG1 4.37Å
123I94.4Very high79.1Confident51 Ų5185 Ų8526%0.26244%0.441SS..  trans-125.6134.3-178.8-59.8177.5000109.4E125 Y330 L354 L356 V394 Q395I123-E125 PolarHBondContact O-N 3.46Å; I123-Y330 WeakPolarHBondContact CA-OH 3.27Å; I123-L354 HydrophobicContact CD1-CD1 4.3Å; I123-L354 HydrophobicContact CG1-CD1 4.47Å; I123-L356 HydrophobicContact CG2-CD2 3.79Å; I123-V394 CarbonylContact O-C 3.55Å; I123-V394 VanDerWaalsContact O-CA 3.26Å; I123-V394 WeakPolarHBondContact O-CA 3.46Å; I123-V394 WeakPolarHBondContact O-CB 3.29Å; I123-Q395 HydrophobicContact CB-CG 4.41Å; I123-Q395 HydrophobicContact CG2-CG 4.5Å; I123-Q395 PolarHBondContact O-N 3.19Å
124I95.1Very high82Confident4 Ų477 Ų772%0.02141%0.407CS..EExtended strand (participates in β ladder)trans-59.4130.5173.3-165162.3000111.4V127 F323 M325 Y330 L356 T358 V392I124-V127 HydrophobicContact CD1-CG2 3.71Å; I124-F323 HydrophobicContact CD1-CZ 4.31Å; I124-M325 HydrophobicContact CB-CE 3.69Å; I124-M325 HydrophobicContact CG1-CE 4.44Å; I124-Y330 HydrophobicContact CB-CE1 4.16Å; I124-Y330 HydrophobicContact CG2-CD1 3.89Å; I124-Y330 HydrophobicContact CG2-CE1 3.26Å; I124-Y330 PolarHBondContact N-OH 3.42Å; I124-Y330 VanDerWaalsContact N-OH 3.08Å; I124-L356 HydrophobicContact CG2-CD1 4.09Å; I124-L356 HydrophobicContact CG2-CD2 4.48Å; I124-T358 HydrophobicContact CD1-CG2 4.34Å; I124-T358 HydrophobicContact CG2-CG2 4.44Å; I124-V392 HydrophobicContact CB-CG1 4.48Å; I124-V392 HydrophobicContact CD1-CG1 3.6Å; I124-V392 HydrophobicContact CG1-CG1 3.58Å
125E94.2Very high85.1Confident84 Ų8474.4 Ų74.439%0.39339%0.394SS..EExtended strand (participates in β ladder)trans-103.3-48.7172-164.2177.415500110.7I123 T358 R393 Q395I123-E125 PolarHBondContact O-N 3.46Å; E125-T358 PolarHBondContact O-OG1 3.1Å; E125-R393 VanDerWaalsContact CD-NH1 3.26Å; E125-R393 PolarHBondContact N-O 3.27Å; E125-R393 IonicContact OE1-CZ 2.89Å; E125-R393 IonicContact OE1-NH1 2.62Å; E125-R393 PolarHBondContact OE1-NH1 3.18Å; E125-R393 IonicContact OE1-NH2 3.34Å; E125-R393 PolarHBondContact OE1-NH2 3.39Å; E125-R393 IonicContact OE2-CZ 3.81Å; E125-R393 IonicContact OE2-NH1 3.4Å; E125-R393 PolarHBondContact OE2-NH1 3.24Å; E125-R393 IonicContact OE2-NH2 3.96Å; E125-R393 PolarHBondContact OE2-NH2 2.79Å; E125-Q395 HydrophobicContact CB-CG 3.68Å; E125-Q395 HydrophobicContact CG-CG 3.95Å
126K94.6Very high88Confident129 Ų12972.1 Ų72.156%0.56138%0.378SS*.EExtended strand (participates in β ladder)trans-149139.5-174.3-171170.2-179178.80111.9R393K126-R393 PolarHBondContact N-O 2.71Å; K126-R393 VanDerWaalsContact N-O 3.11Å; K126-R393 PolarHBondContact O-N 3.41Å
127V96.3Very high90.2Very high15 Ų1569 Ų699%0.09136%0.364CS..EExtended strand (participates in β ladder)trans-91.5135.1167.8-179.30000109.5I124 I342 T358 W360 L379 T390I124-V127 HydrophobicContact CD1-CG2 3.71Å; V127-I342 HydrophobicContact CG2-CD1 4.03Å; V127-T358 HydrophobicContact CG2-CG2 4.06Å; V127-W360 HydrophobicContact CG1-CE3 3.91Å; V127-W360 HydrophobicContact CG1-CZ3 3.86Å; V127-W360 HydrophobicContact CG2-CE3 4.3Å; V127-L379 HydrophobicContact CG2-CD1 4.43Å; V127-T390 HydrophobicContact CG1-CG2 3.46Å; V127-T390 VanDerWaalsContact CG1-CG2 3.46Å; V127-T390 WeakPolarHBondContact CG1-OG1 3.42Å
128G95.1Very high91.4Very high31 Ų3164.4 Ų64.432%0.3234%0.336SS..  trans-73.1-170.717800000114.2T390 P391G128-T390 WeakPolarHBondContact CA-OG1 3.45Å; G128-T390 PolarHBondContact N-OG1 3.03Å; G128-T390 PolarHBondContact O-OG1 2.92Å; G128-P391 WeakPolarHBondContact CA-O 3.47Å; G128-P391 PolarHBondContact N-O 2.96Å
129T95.9Very high92.3Very high117 Ų11758.6 Ų58.672%0.71832%0.315SS*.  trans-81.8134.1174.2-57.90000109.7V131T129-V131 PolarHBondContact O-N 2.96Å
130P97.3Very high92.9Very high34 Ų3463.7 Ų63.722%0.22134%0.335CS..  trans-52.5133.6171.8-32.339.5000113.7R361 P363 F381P130-R361 HydrophobicContact CG-CB 4.45Å; P130-P363 HydrophobicContact CB-CG 3.88Å; P130-P363 HydrophobicContact CG-CG 3.87Å; P130-F381 HydrophobicContact CB-CE1 4.41Å; P130-F381 HydrophobicContact CB-CZ 3.87Å; P130-F381 HydrophobicContact CG-CZ 4.01Å
131V97.4Very high93.2Very high69 Ų6960.5 Ų60.542%0.41832%0.32SS..EExtended strand (participates in β ladder)trans-112.1128.3175.6-179.80000108.4T129 H133 L388 S389T129-V131 PolarHBondContact O-N 2.96Å; V131-H133 PolarHBondContact O-CD2 2.82Å; V131-L388 CarbonylContact O-C 3.59Å; V131-L388 VanDerWaalsContact O-CA 3.27Å; V131-L388 WeakPolarHBondContact O-CA 3.22Å; V131-S389 PolarHBondContact N-O 3.36Å; V131-S389 PolarHBondContact O-N 3.34Å
132F97.7Very high93.4Very high96 Ų9655.6 Ų55.642%0.42130%0.297SS..EExtended strand (participates in β ladder)trans-86.3132176.9175.3-90.1000112S134 E135 L179 N386 L388F132-S134 WeakPolarHBondContact CE2-O 3.47Å; F132-E135 HydrophobicContact CE2-CG 4.09Å; F132-E135 HydrophobicContact CZ-CG 3.95Å; F132-L179 HydrophobicContact CE1-CD1 4.46Å; F132-N386 HydrophobicContact CD2-CB 4.36Å; F132-N386 HydrophobicContact CE2-CB 4.18Å; F132-L388 HydrophobicContact CB-CD2 3.78Å; F132-L388 HydrophobicContact CD2-CD2 3.84Å; F132-L388 HydrophobicContact CG-CD2 4.28Å
133H96.9Very high93.5Very high22 Ų2254.2 Ų54.210%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-113.6-36.7179.5-70.5-93.5000112.9V131 W144 E175 L179 L387 S389V131-H133 PolarHBondContact O-CD2 2.82Å; H133-W144 HydrophobicContact CB-CH2 3.84Å; H133-W144 HydrophobicContact CB-CZ2 4.41Å; H133-W144 HydrophobicContact CB-CZ3 4.19Å; H133-W144 AromaticContact CD2-CH2 3.32Å; H133-W144 WeakPolarHBondContact CD2-CH2 3.07Å; H133-W144 AromaticContact CD2-CZ2 3.73Å; H133-W144 AromaticContact CG-CH2 3.44Å; H133-W144 VanDerWaalsContact CG-CH2 3.44Å; H133-W144 AromaticContact ND1-CH2 3.92Å; H133-W144 AromaticContact NE2-CH2 3.72Å; H133-E175 IonicContact CE1-OE1 2.64Å; H133-E175 PolarHBondContact CE1-OE1 2.02Å; H133-E175 IonicContact CE1-OE2 2.83Å; H133-E175 IonicContact ND1-OE1 3.81Å; H133-E175 IonicContact ND1-OE2 3.91Å; H133-L179 WeakPolarHBondContact O-CD1 3.34Å; H133-L387 WeakPolarHBondContact CB-O 3.34Å; H133-L387 PolarHBondContact N-O 3.24Å; H133-S389 PolarHBondContact NE2-OG 3.41Å
134S96.6Very high93.6Very high1 Ų151.8 Ų51.81%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-174.5164.3-174.8-114.40000113.7F132 L178 L179 K181 L387F132-S134 WeakPolarHBondContact CE2-O 3.47Å; S134-L178 VanDerWaalsContact OG-C 3.28Å; S134-L178 PolarHBondContact OG-O 3.04Å; S134-L179 VanDerWaalsContact OG-CA 3.25Å; S134-L179 WeakPolarHBondContact OG-CA 3.35Å; S134-L179 PolarHBondContact OG-N 3.47Å; S134-K181 PolarHBondContact OG-NZ 3.14Å; S134-L387 PolarHBondContact N-O 3.45Å; S134-L387 WeakPolarHBondContact O-CB 3.48Å; S134-L387 PolarHBondContact O-N 3.3Å
135E94.5Very high93.7Very high117 Ų11752.3 Ų52.355%0.54728%0.278SS..EExtended strand (participates in β ladder)trans-95.1150.7158.9-73.9157.4-153.400112.7F132 K181 G385F132-E135 HydrophobicContact CE2-CG 4.09Å; F132-E135 HydrophobicContact CZ-CG 3.95Å; E135-K181 VanDerWaalsContact O-CE 3.32Å; E135-K181 WeakPolarHBondContact O-CE 3.47Å; E135-K181 PolarHBondContact O-NZ 2.97Å; E135-G385 CarbonylContact C-O 3.51Å; E135-G385 WeakPolarHBondContact CA-O 3.2Å
136S91.9Very high93.8Very high23 Ų2348.9 Ų48.916%0.16126%0.262CS..  trans-72.2141.7170.8177.10000110.6Y138 G139 F382 G385S136-Y138 VanDerWaalsContact C-N 3.31Å; S136-Y138 PolarHBondContact OG-N 2.86Å; S136-G139 VanDerWaalsContact CB-O 3.25Å; S136-G139 WeakPolarHBondContact CB-O 3.43Å; S136-G139 PolarHBondContact OG-N 2.95Å; S136-G139 PolarHBondContact OG-O 2.55Å; S136-F382 VanDerWaalsContact CB-CZ 3.48Å; S136-G385 WeakPolarHBondContact CB-O 3.38Å; S136-G385 PolarHBondContact N-O 3.39Å
137Q87.9Confident93.9Very high92 Ų9242.8 Ų42.843%0.4324%0.235SC..SBendtrans-85.7-7174-60.9-174.280.400112.9Y172 K181Q137-Y172 PolarHBondContact NE2-OH 2.87Å; Q137-K181 HydrophobicContact CG-CB 4.36Å; Q137-K181 HydrophobicContact CG-CD 3.67Å; Q137-K181 HydrophobicContact CG-CG 4.02Å
138Y80.6Confident93.9Very high62 Ų6242.4 Ų42.424%0.24323%0.234CC..SBendtrans-123.8-19.3-157.9-53.2-68.9000113.9S136 D162 Y170S136-Y138 VanDerWaalsContact C-N 3.31Å; S136-Y138 PolarHBondContact OG-N 2.86Å; Y138-D162 WeakPolarHBondContact CB-OD2 3.36Å; Y138-D162 HydrophobicContact CD2-CB 4.35Å; Y138-D162 WeakPolarHBondContact CD2-OD2 3.39Å; Y138-D162 HydrophobicContact CG-CB 4.39Å; Y138-Y170 HydrophobicContact CD1-CE2 4.5Å; Y138-Y170 HydrophobicContact CD2-CD2 4.24Å; Y138-Y170 AromaticContact CD2-CE2 3.94Å; Y138-Y170 HydrophobicContact CD2-CE2 3.94Å; Y138-Y170 HydrophobicContact CE1-CE1 4.19Å; Y138-Y170 HydrophobicContact CE1-CE2 4.09Å; Y138-Y170 AromaticContact CE1-CZ 3.71Å; Y138-Y170 HydrophobicContact CE2-CD1 4.37Å; Y138-Y170 AromaticContact CE2-CD2 3.52Å; Y138-Y170 HydrophobicContact CE2-CD2 3.52Å; Y138-Y170 HydrophobicContact CE2-CE1 4.31Å; Y138-Y170 AromaticContact CE2-CE2 3.44Å; Y138-Y170 HydrophobicContact CE2-CE2 3.44Å; Y138-Y170 VanDerWaalsContact CE2-CE2 3.44Å; Y138-Y170 HydrophobicContact CE2-CG 4.01Å; Y138-Y170 AromaticContact CE2-CZ 3.85Å; Y138-Y170 HydrophobicContact CG-CE2 4.43Å; Y138-Y170 AromaticContact CZ-CD1 3.98Å; Y138-Y170 AromaticContact CZ-CD2 3.88Å; Y138-Y170 AromaticContact CZ-CE1 3.64Å; Y138-Y170 AromaticContact CZ-CE2 3.52Å; Y138-Y170 AromaticContact CZ-CZ 3.38Å; Y138-Y170 VanDerWaalsContact OH-CD1 3.24Å; Y138-Y170 WeakPolarHBondContact OH-CD1 3.2Å; Y138-Y170 WeakPolarHBondContact OH-CE1 3.32Å
139G86.5Confident93.9Very high36 Ų3642.3 Ų42.337%0.37123%0.231SC..  trans160.8179.9176.100000113.3S136 V141S136-G139 VanDerWaalsContact CB-O 3.25Å; S136-G139 WeakPolarHBondContact CB-O 3.43Å; S136-G139 PolarHBondContact OG-N 2.95Å; S136-G139 PolarHBondContact OG-O 2.55Å; G139-V141 VanDerWaalsContact C-N 3.31Å
140E91.5Very high93.8Very high129 Ų12938.4 Ų38.460%0.60321%0.207SC*.SBendtrans-82.9-8.1-178.2-64173.5172.400113.5F382 G385E140-F382 VanDerWaalsContact O-CE1 3.31Å; E140-F382 WeakPolarHBondContact O-CE1 3.34Å; E140-G385 PolarHBondContact O-N 2.78Å; E140-G385 VanDerWaalsContact O-N 3.17Å
141V91.6Very high93.2Very high27 Ų2743 Ų4316%0.16423%0.225CC..  trans-119.3133178.7-178.40000108.9G139 G163 F164 T196 M266 T368G139-V141 VanDerWaalsContact C-N 3.31Å; V141-G163 PolarHBondContact O-N 3.22Å; V141-F164 HydrophobicContact CG1-CD1 4.04Å; V141-F164 HydrophobicContact CG1-CE1 3.87Å; V141-F164 HydrophobicContact CG1-CZ 4.36Å; V141-F164 HydrophobicContact CG2-CE1 4.11Å; V141-F164 HydrophobicContact CG2-CE2 4.4Å; V141-F164 HydrophobicContact CG2-CZ 3.82Å; V141-T196 HydrophobicContact CG1-CG2 3.75Å; V141-M266 HydrophobicContact CG1-SD 4.19Å; V141-T368 HydrophobicContact CB-CG2 4.46Å; V141-T368 HydrophobicContact CG1-CG2 4.39Å; V141-T368 HydrophobicContact CG2-CG2 4.2Å
142G92.6Very high92.3Very high0 Ų043.1 Ų43.10%024%0.241CC..EExtended strand (participates in β ladder)trans174.3-168.9174.400000112.6F161 T196 T368 F382G142-F161 WeakPolarHBondContact CA-O 3.38Å; G142-T196 WeakPolarHBondContact O-CG2 3.14Å; G142-T368 PolarHBondContact O-OG1 2.85Å; G142-T368 VanDerWaalsContact O-OG1 3.13Å; G142-F382 WeakPolarHBondContact O-CB 3.38Å; G142-F382 WeakPolarHBondContact O-CG 3.5Å
143A95.2Very high91.4Very high0 Ų041.8 Ų41.80%026%0.255CS..EExtended strand (participates in β ladder)trans-143150176.600000110M145 V160 F161 T196 M369A143-M145 HydrophobicContact CB-CE 3.93Å; A143-V160 WeakPolarHBondContact O-CA 3.35Å; A143-F161 HydrophobicContact CB-CD1 4.11Å; A143-F161 HydrophobicContact CB-CE1 3.54Å; A143-F161 HydrophobicContact CB-CE2 4.01Å; A143-F161 HydrophobicContact CB-CZ 3.48Å; A143-F161 VanDerWaalsContact CB-CZ 3.48Å; A143-F161 PolarHBondContact N-O 2.86Å; A143-F161 PolarHBondContact O-N 3.39Å; A143-T196 WeakPolarHBondContact CB-O 3.17Å; A143-M369 HydrophobicContact CB-CB 4.26Å; A143-M369 HydrophobicContact CB-CE 4.13Å; A143-M369 HydrophobicContact CB-CG 3.89Å
144W96.8Very high90.9Very high0 Ų042.5 Ų42.50%026%0.256CS..EExtended strand (participates in β ladder)trans-143.1145.117778.4-69.2000109.8H133 W159 V160 L178 M369 Y380 F381 L387 L388H133-W144 HydrophobicContact CB-CH2 3.84Å; H133-W144 HydrophobicContact CB-CZ2 4.41Å; H133-W144 HydrophobicContact CB-CZ3 4.19Å; H133-W144 AromaticContact CD2-CH2 3.32Å; H133-W144 WeakPolarHBondContact CD2-CH2 3.07Å; H133-W144 AromaticContact CD2-CZ2 3.73Å; H133-W144 AromaticContact CG-CH2 3.44Å; H133-W144 VanDerWaalsContact CG-CH2 3.44Å; H133-W144 AromaticContact ND1-CH2 3.92Å; H133-W144 AromaticContact NE2-CH2 3.72Å; W144-W159 CarbonylContact C-O 3.54Å; W144-W159 WeakPolarHBondContact CA-O 2.73Å; W144-V160 HydrophobicContact CB-CG2 4Å; W144-L178 HydrophobicContact CE3-CD2 3.94Å; W144-L178 HydrophobicContact CZ3-CD2 4Å; W144-M369 HydrophobicContact CG-CE 4.38Å; W144-M369 VanDerWaalsContact N-CE 3.25Å; W144-M369 WeakPolarHBondContact O-CE 3.42Å; W144-Y380 HydrophobicContact CD2-CD1 4.05Å; W144-Y380 AromaticContact CE2-CD1 3.7Å; W144-Y380 HydrophobicContact CE3-CD1 4.06Å; W144-Y380 HydrophobicContact CE3-CE1 4.32Å; W144-Y380 AromaticContact CH2-CD1 3.39Å; W144-Y380 HydrophobicContact CH2-CD1 3.39Å; W144-Y380 AromaticContact CH2-CE1 3.41Å; W144-Y380 HydrophobicContact CH2-CE1 3.41Å; W144-Y380 VanDerWaalsContact CH2-CE1 3.41Å; W144-Y380 AromaticContact CZ2-CD1 3.36Å; W144-Y380 HydrophobicContact CZ2-CD1 3.36Å; W144-Y380 AromaticContact CZ2-CE1 3.9Å; W144-Y380 HydrophobicContact CZ2-CE1 3.9Å; W144-Y380 HydrophobicContact CZ2-CG 4.33Å; W144-Y380 AromaticContact CZ3-CD1 3.76Å; W144-Y380 HydrophobicContact CZ3-CD1 3.76Å; W144-Y380 AromaticContact CZ3-CE1 3.67Å; W144-Y380 HydrophobicContact CZ3-CE1 3.67Å; W144-F381 PolarHBondContact NE1-O 2.77Å; W144-L387 HydrophobicContact CB-CD2 3.52Å; W144-L387 HydrophobicContact CB-CG 3.84Å; W144-L387 HydrophobicContact CD2-CB 3.73Å; W144-L387 HydrophobicContact CD2-CD2 3.84Å; W144-L387 HydrophobicContact CD2-CG 3.92Å; W144-L387 HydrophobicContact CE3-CB 4.31Å; W144-L387 HydrophobicContact CE3-CD2 4.06Å; W144-L387 HydrophobicContact CG-CB 3.85Å; W144-L387 HydrophobicContact CG-CD2 3.61Å; W144-L387 HydrophobicContact CG-CG 3.54Å; W144-L387 HydrophobicContact CZ2-CB 4.27Å; W144-L388 VanDerWaalsContact CZ2-C 3.46Å; W144-L388 WeakPolarHBondContact CZ2-O 3.1Å; W144-L388 PolarHBondContact NE1-O 2.84Å
145M96.8Very high90.4Very high15 Ų1544.4 Ų44.47%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-154.1159.4-172.262.1-129.463.400112A143 R158 W159 F161 G198 V200 F205A143-M145 HydrophobicContact CB-CE 3.93Å; M145-R158 WeakPolarHBondContact O-CA 3.33Å; M145-W159 HydrophobicContact CG-CB 4.21Å; M145-W159 PolarHBondContact N-O 3.28Å; M145-W159 PolarHBondContact O-N 3.04Å; M145-F161 HydrophobicContact CE-CD1 3.75Å; M145-F161 HydrophobicContact CE-CE1 3.61Å; M145-F161 HydrophobicContact SD-CE1 4.34Å; M145-G198 VanDerWaalsContact SD-O 3.37Å; M145-V200 HydrophobicContact CG-CB 4.15Å; M145-V200 HydrophobicContact CG-CG2 3.87Å; M145-V200 HydrophobicContact SD-CG2 3.96Å; M145-F205 HydrophobicContact SD-CE2 4.26Å
146Q96.1Very high90.3Very high12 Ų1244 Ų446%0.05627%0.272CS..  trans-100.1156.2157.5-178.2179.734.700108A148 S155 N373 Y380Q146-A148 PolarHBondContact O-N 3.33Å; Q146-S155 PolarHBondContact NE2-O 2.95Å; Q146-N373 PolarHBondContact O-ND2 2.79Å; Q146-Y380 PolarHBondContact OE1-OH 3.47Å
147D97.1Very high90.5Very high0 Ų044.9 Ų44.90%027%0.272CS..  trans-61.7124.8168.9-171.6-21.1000109.6A149 P150 W159 V200 Y201 N202 G203D147-A149 VanDerWaalsContact C-N 3.34Å; D147-A149 PolarHBondContact OD1-N 3.45Å; D147-P150 HydrophobicContact CB-CB 4.03Å; D147-P150 WeakPolarHBondContact O-CD 3.46Å; D147-W159 HydrophobicContact CB-CH2 4.08Å; D147-W159 HydrophobicContact CB-CZ3 3.85Å; D147-V200 WeakPolarHBondContact CA-O 3.36Å; D147-V200 HydrophobicContact CB-CB 4.5Å; D147-V200 HydrophobicContact CB-CG1 3.8Å; D147-Y201 WeakPolarHBondContact OD1-CA 3.36Å; D147-N202 PolarHBondContact OD1-N 3.35Å; D147-G203 PolarHBondContact OD2-N 2.04Å
148A96.7Very high90.9Very high8 Ų841.3 Ų41.37%0.06626%0.255CS..SBendtrans-75.2-20.7-178.500000113.8Q146 V200 Y201 T275 P374Q146-A148 PolarHBondContact O-N 3.33Å; A148-V200 PolarHBondContact N-O 2.94Å; A148-Y201 HydrophobicContact CB-CD2 3.8Å; A148-Y201 HydrophobicContact CB-CE2 4.37Å; A148-T275 HydrophobicContact CB-CG2 3.79Å; A148-T275 WeakPolarHBondContact CB-OG1 3.24Å; A148-P374 HydrophobicContact CB-CG 4.39Å
149A95.1Very high91.6Very high29 Ų2938.3 Ų38.324%0.2424%0.243CC..SBendtrans-139.862.8177.600000110.5D147 E151 Y201 N202D147-A149 VanDerWaalsContact C-N 3.34Å; D147-A149 PolarHBondContact OD1-N 3.45Å; A149-E151 PolarHBondContact O-N 3.16Å; A149-Y201 HydrophobicContact CB-CD1 4.16Å; A149-Y201 HydrophobicContact CB-CD2 4.09Å; A149-Y201 HydrophobicContact CB-CE1 3.76Å; A149-Y201 HydrophobicContact CB-CE2 3.71Å; A149-Y201 HydrophobicContact CB-CG 4.3Å; A149-N202 HydrophobicContact CB-CB 4.37Å; A149-N202 VanDerWaalsContact O-CA 3.25Å; A149-N202 WeakPolarHBondContact O-CA 3.2Å
150P93.4Very high92.1Very high34 Ų3436.8 Ų36.822%0.22123%0.227CC..  trans-71.1124.6-168.726.1-30.5000112.2D147 K375D147-P150 HydrophobicContact CB-CB 4.03Å; D147-P150 WeakPolarHBondContact O-CD 3.46Å; P150-K375 HydrophobicContact CG-CD 3.67Å; P150-K375 VanDerWaalsContact CG-CE 3.48Å; P150-K375 HydrophobicContact CG-CG 4.42Å
151E85.1Confident92.2Very high130 Ų13030.7 Ų30.761%0.60720%0.198SC*.  trans-96.8130.4166.7-73.6-175.8-164.400111.5A149 Y154 N202A149-E151 PolarHBondContact O-N 3.16Å; E151-Y154 WeakPolarHBondContact O-CD2 3.46Å; E151-N202 VanDerWaalsContact CG-OD1 3.23Å; E151-N202 WeakPolarHBondContact CG-OD1 3.46Å; E151-N202 PolarHBondContact OE1-ND2 3.39Å; E151-N202 PolarHBondContact OE1-OD1 2.89Å
152G77.8Confident91.9Very high72 Ų7230.7 Ų30.774%0.74220%0.197SC*.G310 helixtrans65.1-138-179.800000113.7Y154G152-Y154 PolarHBondContact O-N 2.98Å
153G79.3Confident91.5Very high69 Ų6931.8 Ų31.871%0.71121%0.209SC*.G310 helixtrans-75.916.7-170.600000116.3
154Y85Confident91Very high36 Ų3635.2 Ų35.214%0.14122%0.224CC..G310 helixtrans-84.5-10.8178.4-70.9-67.2000113.6E151 G152 D156 K157 W159 K221E151-Y154 WeakPolarHBondContact O-CD2 3.46Å; G152-Y154 PolarHBondContact O-N 2.98Å; Y154-D156 PolarHBondContact O-N 3.05Å; Y154-K157 HydrophobicContact CD1-CD 3.71Å; Y154-K157 HydrophobicContact CE1-CD 4.25Å; Y154-K157 PolarHBondContact O-N 3.47Å; Y154-W159 AromaticContact CD1-CH2 3.73Å; Y154-W159 HydrophobicContact CD1-CH2 3.73Å; Y154-W159 AromaticContact CD1-CZ2 3.67Å; Y154-W159 HydrophobicContact CD1-CZ2 3.67Å; Y154-W159 HydrophobicContact CE1-CZ2 4.2Å; Y154-W159 HydrophobicContact CG-CH2 4.36Å; Y154-K221 WeakPolarHBondContact OH-CB 3.02Å
155S87.4Confident90.5Very high42 Ų4236.1 Ų36.129%0.29423%0.228SC..THydrogen-bonded Turntrans-55.6-44.3-173.71750000114.1Q146 R158 K375Q146-S155 PolarHBondContact NE2-O 2.95Å; S155-R158 PolarHBondContact O-NH1 3.4Å; S155-K375 PolarHBondContact O-NZ 3.18Å; S155-K375 PolarHBondContact OG-NZ 2.94Å
156D91.7Very high90.2Very high109 Ų10935.5 Ų35.558%0.58323%0.225SC*.THydrogen-bonded Turntrans-91.8-9.2-171.2-57.4-28.8000113.1Y154 R158 R173Y154-D156 PolarHBondContact O-N 3.05Å; D156-R158 PolarHBondContact O-NH1 3.32Å; D156-R173 CarbonylContact C-O 3.1Å
157K95.6Very high89.9Confident40 Ų4036 Ų3617%0.17423%0.229CC..  trans-73.9153.1-177-66.9-178.9174.6-163.60111.7Y154 W159 E171 Y172Y154-K157 HydrophobicContact CD1-CD 3.71Å; Y154-K157 HydrophobicContact CE1-CD 4.25Å; Y154-K157 PolarHBondContact O-N 3.47Å; K157-W159 HydrophobicContact CB-CE3 4.44Å; K157-W159 HydrophobicContact CB-CH2 3.47Å; K157-W159 VanDerWaalsContact CB-CH2 3.47Å; K157-W159 HydrophobicContact CB-CZ2 3.9Å; K157-W159 HydrophobicContact CB-CZ3 3.75Å; K157-W159 HydrophobicContact CD-CH2 4.09Å; K157-W159 HydrophobicContact CD-CZ2 3.95Å; K157-W159 HydrophobicContact CG-CH2 4.44Å; K157-E171 HydrophobicContact CD-CG 4.15Å; K157-E171 WeakPolarHBondContact CE-OE1 3.38Å; K157-E171 VanDerWaalsContact NZ-CD 3.27Å; K157-E171 IonicContact NZ-OE1 3.65Å; K157-E171 PolarHBondContact NZ-OE1 3.36Å; K157-E171 IonicContact NZ-OE2 3.02Å; K157-E171 PolarHBondContact NZ-OE2 3.31Å; K157-Y172 CarbonylContact C-O 3.39Å; K157-Y172 VanDerWaalsContact CA-O 3.23Å; K157-Y172 WeakPolarHBondContact CA-O 3.49Å
158R96.3Very high89.7Confident17 Ų1736.5 Ų36.56%0.06423%0.233CC..EExtended strand (participates in β ladder)trans-128.2145.7172.6-61.1-66.4177.1-85.40.4109M145 S155 D156 Y172 E175 L178M145-R158 WeakPolarHBondContact O-CA 3.33Å; S155-R158 PolarHBondContact O-NH1 3.4Å; D156-R158 PolarHBondContact O-NH1 3.32Å; R158-Y172 PolarHBondContact N-O 2.83Å; R158-Y172 PolarHBondContact O-N 3.14Å; R158-E175 HydrophobicContact CG-CG 4.03Å; R158-E175 IonicContact CZ-OE1 3.18Å; R158-E175 VanDerWaalsContact CZ-OE1 3.27Å; R158-E175 IonicContact NE-OE1 3.19Å; R158-E175 PolarHBondContact NE-OE1 3.29Å; R158-E175 VanDerWaalsContact NE-OE1 3.09Å; R158-E175 VanDerWaalsContact NH2-CD 3.32Å; R158-E175 IonicContact NH2-OE1 3.45Å; R158-E175 PolarHBondContact NH2-OE1 2.93Å; R158-L178 HydrophobicContact CB-CD2 4.13Å; R158-L178 HydrophobicContact CG-CD2 4.21Å
159W96.6Very high89.7Confident0 Ų036.1 Ų36.10%023%0.23CC..EExtended strand (participates in β ladder)trans-120.5145.1175.1-65.3-97.2000110.8W144 M145 D147 Y154 K157 L169 Y170 Y187 V200 L220W144-W159 CarbonylContact C-O 3.54Å; W144-W159 WeakPolarHBondContact CA-O 2.73Å; M145-W159 HydrophobicContact CG-CB 4.21Å; M145-W159 PolarHBondContact N-O 3.28Å; M145-W159 PolarHBondContact O-N 3.04Å; D147-W159 HydrophobicContact CB-CH2 4.08Å; D147-W159 HydrophobicContact CB-CZ3 3.85Å; Y154-W159 AromaticContact CD1-CH2 3.73Å; Y154-W159 HydrophobicContact CD1-CH2 3.73Å; Y154-W159 AromaticContact CD1-CZ2 3.67Å; Y154-W159 HydrophobicContact CD1-CZ2 3.67Å; Y154-W159 HydrophobicContact CE1-CZ2 4.2Å; Y154-W159 HydrophobicContact CG-CH2 4.36Å; K157-W159 HydrophobicContact CB-CE3 4.44Å; K157-W159 HydrophobicContact CB-CH2 3.47Å; K157-W159 VanDerWaalsContact CB-CH2 3.47Å; K157-W159 HydrophobicContact CB-CZ2 3.9Å; K157-W159 HydrophobicContact CB-CZ3 3.75Å; K157-W159 HydrophobicContact CD-CH2 4.09Å; K157-W159 HydrophobicContact CD-CZ2 3.95Å; K157-W159 HydrophobicContact CG-CH2 4.44Å; W159-L169 HydrophobicContact CB-CD1 3.9Å; W159-L169 HydrophobicContact CB-CD2 4.4Å; W159-L169 HydrophobicContact CB-CG 4.19Å; W159-L169 HydrophobicContact CG-CD2 4.2Å; W159-L169 HydrophobicContact CG-CG 4.36Å; W159-Y170 CarbonylContact C-O 3.58Å; W159-Y170 WeakPolarHBondContact CA-O 3.34Å; W159-Y187 AromaticContact NE1-CE2 3.8Å; W159-V200 HydrophobicContact CB-CG2 4.16Å; W159-V200 HydrophobicContact CD2-CG1 4.42Å; W159-V200 HydrophobicContact CD2-CG2 3.96Å; W159-V200 HydrophobicContact CE3-CB 4.32Å; W159-V200 HydrophobicContact CE3-CG1 4.26Å; W159-V200 HydrophobicContact CE3-CG2 4.18Å; W159-V200 HydrophobicContact CG-CG2 3.96Å; W159-V200 HydrophobicContact CH2-CG1 4.29Å; W159-V200 HydrophobicContact CZ2-CG1 4.45Å; W159-V200 HydrophobicContact CZ3-CG1 4.22Å; W159-L220 HydrophobicContact CZ2-CD1 3.66Å
160V96.1Very high89.7Confident3 Ų336.1 Ų36.12%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-134.5135.7176.9-176.10000108.2A143 W144 Y170 Y172 L178 L387A143-V160 WeakPolarHBondContact O-CA 3.35Å; W144-V160 HydrophobicContact CB-CG2 4Å; V160-Y170 PolarHBondContact N-O 3.47Å; V160-Y170 WeakPolarHBondContact O-CD2 3.41Å; V160-Y170 PolarHBondContact O-N 3.09Å; V160-Y172 HydrophobicContact CB-CE2 4.15Å; V160-Y172 HydrophobicContact CG2-CD2 4.19Å; V160-Y172 HydrophobicContact CG2-CE2 3.68Å; V160-L178 HydrophobicContact CG2-CD1 3.67Å; V160-L387 HydrophobicContact CG2-CD2 3.8Å
161F93Very high89.8Confident2 Ų234.7 Ų34.71%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-134.9153.6162.271.2-94.1000108.8G142 A143 M145 S166 L169 G195 F205G142-F161 WeakPolarHBondContact CA-O 3.38Å; A143-F161 HydrophobicContact CB-CD1 4.11Å; A143-F161 HydrophobicContact CB-CE1 3.54Å; A143-F161 HydrophobicContact CB-CE2 4.01Å; A143-F161 HydrophobicContact CB-CZ 3.48Å; A143-F161 VanDerWaalsContact CB-CZ 3.48Å; A143-F161 PolarHBondContact N-O 2.86Å; A143-F161 PolarHBondContact O-N 3.39Å; M145-F161 HydrophobicContact CE-CD1 3.75Å; M145-F161 HydrophobicContact CE-CE1 3.61Å; M145-F161 HydrophobicContact SD-CE1 4.34Å; F161-S166 WeakPolarHBondContact CD2-OG 3.08Å; F161-L169 HydrophobicContact CB-CD1 3.97Å; F161-L169 HydrophobicContact CD1-CD1 3.89Å; F161-L169 HydrophobicContact CG-CD1 4.39Å; F161-G195 WeakPolarHBondContact CE2-O 3.33Å; F161-F205 AromaticContact CD1-CE2 3.84Å; F161-F205 HydrophobicContact CD1-CE2 3.84Å; F161-F205 AromaticContact CD1-CZ 3.63Å; F161-F205 HydrophobicContact CD1-CZ 3.63Å; F161-F205 AromaticContact CE1-CE2 3.69Å; F161-F205 HydrophobicContact CE1-CE2 3.69Å; F161-F205 AromaticContact CE1-CZ 3.65Å; F161-F205 HydrophobicContact CE1-CZ 3.65Å; F161-F205 HydrophobicContact CG-CZ 4.27Å; F161-F205 HydrophobicContact CZ-CZ 4.33Å
162D85.4Confident90.4Very high27 Ų2728.7 Ų28.714%0.14419%0.186CC..EExtended strand (participates in β ladder)trans-136.7160.3-166.155.470.4000113.1Y138 S166 Y170Y138-D162 WeakPolarHBondContact CB-OD2 3.36Å; Y138-D162 HydrophobicContact CD2-CB 4.35Å; Y138-D162 WeakPolarHBondContact CD2-OD2 3.39Å; Y138-D162 HydrophobicContact CG-CB 4.39Å; D162-S166 WeakPolarHBondContact O-CB 3.37Å; D162-S166 PolarHBondContact O-OG 3.08Å; D162-Y170 WeakPolarHBondContact OD2-CE2 3.49Å
163G84.6Confident91.2Very high23 Ų2333.2 Ų33.224%0.23718%0.18CC..SBendtrans77.5178.5-177.700000113.4V141 I165V141-G163 PolarHBondContact O-N 3.22Å; G163-I165 VanDerWaalsContact C-N 3.29Å
164F84.8Confident92Very high72 Ų7232.4 Ų32.432%0.31616%0.162SC..SBendtrans-75.2-23174.6-62.1-64.9000112.8V141 T194 G195 M266 E267 H268V141-F164 HydrophobicContact CG1-CD1 4.04Å; V141-F164 HydrophobicContact CG1-CE1 3.87Å; V141-F164 HydrophobicContact CG1-CZ 4.36Å; V141-F164 HydrophobicContact CG2-CE1 4.11Å; V141-F164 HydrophobicContact CG2-CE2 4.4Å; V141-F164 HydrophobicContact CG2-CZ 3.82Å; F164-T194 CarbonylContact O-C 3.51Å; F164-T194 WeakPolarHBondContact O-CA 3.35Å; F164-G195 PolarHBondContact O-N 3.45Å; F164-M266 HydrophobicContact CD1-CG 4.27Å; F164-M266 HydrophobicContact CD1-SD 4.42Å; F164-M266 HydrophobicContact CE1-CG 3.71Å; F164-M266 HydrophobicContact CE1-SD 4.05Å; F164-E267 HydrophobicContact CD1-CB 4.36Å; F164-E267 VanDerWaalsContact CD1-O 3.3Å; F164-E267 WeakPolarHBondContact CD1-O 3.25Å; F164-E267 HydrophobicContact CE1-CB 4.32Å; F164-H268 HydrophobicContact CB-CB 3.97Å
165I87.7Confident92.4Very high19 Ų1933.8 Ų33.810%0.09717%0.169CC..EExtended strand (participates in β ladder)trans-141.3117.6-179.5-55.7165.6000107.9L19 G163 L192 A193 Y210L19-I165 HydrophobicContact CD1-CD1 3.59Å; G163-I165 VanDerWaalsContact C-N 3.29Å; I165-L192 HydrophobicContact CG2-CB 3.86Å; I165-L192 HydrophobicContact CG2-CD1 3.53Å; I165-L192 HydrophobicContact CG2-CG 4.26Å; I165-A193 CarbonylContact C-O 3.49Å; I165-A193 VanDerWaalsContact CA-O 3.24Å; I165-A193 WeakPolarHBondContact CA-O 3.32Å; I165-Y210 HydrophobicContact CD1-CD1 4.43Å; I165-Y210 HydrophobicContact CD1-CD2 3.8Å; I165-Y210 HydrophobicContact CD1-CE1 3.94Å; I165-Y210 HydrophobicContact CD1-CE2 3.26Å; I165-Y210 HydrophobicContact CD1-CG 4.37Å; I165-Y210 HydrophobicContact CG1-CD2 3.81Å; I165-Y210 HydrophobicContact CG1-CE2 3.76Å; I165-Y210 HydrophobicContact CG1-CG 4.39Å; I165-Y210 HydrophobicContact CG2-CD1 4.24Å; I165-Y210 HydrophobicContact CG2-CD2 4.34Å; I165-Y210 HydrophobicContact CG2-CG 4.07Å
166S89.2Confident92.7Very high1 Ų137 Ų371%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-118.8121.9-168.9-43.50000110.8F161 D162 A193F161-S166 WeakPolarHBondContact CD2-OG 3.08Å; D162-S166 WeakPolarHBondContact O-CB 3.37Å; D162-S166 PolarHBondContact O-OG 3.08Å; S166-A193 PolarHBondContact N-O 3.25Å; S166-A193 PolarHBondContact O-N 2.94Å
167P90.7Very high93Very high22 Ų2233.6 Ų33.614%0.14316%0.164CC..EExtended strand (participates in β ladder)trans-88.7-9.1171.931.3-31.5000113.6F16 I189 L192F16-P167 HydrophobicContact CD2-CG 3.78Å; F16-P167 HydrophobicContact CE2-CG 3.5Å; F16-P167 VanDerWaalsContact CE2-CG 3.5Å; F16-P167 HydrophobicContact CZ-CG 4.29Å; P167-I189 WeakPolarHBondContact O-CG1 3.37Å; P167-I189 PolarHBondContact O-N 2.67Å; P167-I189 VanDerWaalsContact O-N 3.14Å; P167-L192 HydrophobicContact CB-CD2 3.59Å
168V92.5Very high93Very high12 Ų1231.8 Ų31.87%0.07316%0.157CC..EExtended strand (participates in β ladder)trans-137.6136-170.3-176.90000111.2Y170 K186 Y187 Y188V168-Y170 HydrophobicContact CB-CE1 4.41Å; V168-Y170 HydrophobicContact CB-CE2 4.22Å; V168-Y170 HydrophobicContact CG1-CD1 3.96Å; V168-Y170 HydrophobicContact CG1-CD2 4.36Å; V168-Y170 HydrophobicContact CG1-CE1 3.58Å; V168-Y170 HydrophobicContact CG1-CE2 4.03Å; V168-Y170 HydrophobicContact CG1-CG 4.33Å; V168-K186 HydrophobicContact CG1-CB 4.12Å; V168-Y187 VanDerWaalsContact CA-O 3.28Å; V168-Y187 WeakPolarHBondContact CA-O 3.49Å; V168-Y188 HydrophobicContact CG2-CD1 3.55Å; V168-Y188 HydrophobicContact CG2-CE1 3.57Å; V168-Y188 HydrophobicContact CG2-CG 4.31Å
169L95.6Very high93Very high0 Ų034.5 Ų34.50%017%0.172CC..EExtended strand (participates in β ladder)trans-106.4124.4165-176.875.4000109.1W159 F161 Y187 F205 L220W159-L169 HydrophobicContact CB-CD1 3.9Å; W159-L169 HydrophobicContact CB-CD2 4.4Å; W159-L169 HydrophobicContact CB-CG 4.19Å; W159-L169 HydrophobicContact CG-CD2 4.2Å; W159-L169 HydrophobicContact CG-CG 4.36Å; F161-L169 HydrophobicContact CB-CD1 3.97Å; F161-L169 HydrophobicContact CD1-CD1 3.89Å; F161-L169 HydrophobicContact CG-CD1 4.39Å; L169-Y187 HydrophobicContact CB-CD2 4.43Å; L169-Y187 HydrophobicContact CD2-CD2 4.24Å; L169-Y187 HydrophobicContact CG-CD2 4.48Å; L169-Y187 PolarHBondContact N-O 2.83Å; L169-Y187 WeakPolarHBondContact O-CD2 3.48Å; L169-Y187 PolarHBondContact O-N 2.86Å; L169-F205 HydrophobicContact CD1-CD2 4.24Å; L169-F205 HydrophobicContact CD1-CE1 4.35Å; L169-F205 HydrophobicContact CD1-CE2 4.03Å; L169-F205 HydrophobicContact CD1-CZ 4.1Å; L169-F205 HydrophobicContact CD2-CB 3.89Å; L169-F205 HydrophobicContact CD2-CD1 3.97Å; L169-F205 HydrophobicContact CD2-CD2 4.08Å; L169-F205 HydrophobicContact CD2-CG 3.72Å; L169-L220 HydrophobicContact CD2-CD2 3.73Å
170Y95.8Very high92.9Very high28 Ų2841.6 Ų41.611%0.1120%0.2CC..EExtended strand (participates in β ladder)trans-96.9128.7-178.8-58.7-80.6000110.7Y138 W159 V160 D162 V168 K186Y138-Y170 HydrophobicContact CD1-CE2 4.5Å; Y138-Y170 HydrophobicContact CD2-CD2 4.24Å; Y138-Y170 AromaticContact CD2-CE2 3.94Å; Y138-Y170 HydrophobicContact CD2-CE2 3.94Å; Y138-Y170 HydrophobicContact CE1-CE1 4.19Å; Y138-Y170 HydrophobicContact CE1-CE2 4.09Å; Y138-Y170 AromaticContact CE1-CZ 3.71Å; Y138-Y170 HydrophobicContact CE2-CD1 4.37Å; Y138-Y170 AromaticContact CE2-CD2 3.52Å; Y138-Y170 HydrophobicContact CE2-CD2 3.52Å; Y138-Y170 HydrophobicContact CE2-CE1 4.31Å; Y138-Y170 AromaticContact CE2-CE2 3.44Å; Y138-Y170 HydrophobicContact CE2-CE2 3.44Å; Y138-Y170 VanDerWaalsContact CE2-CE2 3.44Å; Y138-Y170 HydrophobicContact CE2-CG 4.01Å; Y138-Y170 AromaticContact CE2-CZ 3.85Å; Y138-Y170 HydrophobicContact CG-CE2 4.43Å; Y138-Y170 AromaticContact CZ-CD1 3.98Å; Y138-Y170 AromaticContact CZ-CD2 3.88Å; Y138-Y170 AromaticContact CZ-CE1 3.64Å; Y138-Y170 AromaticContact CZ-CE2 3.52Å; Y138-Y170 AromaticContact CZ-CZ 3.38Å; Y138-Y170 VanDerWaalsContact OH-CD1 3.24Å; Y138-Y170 WeakPolarHBondContact OH-CD1 3.2Å; Y138-Y170 WeakPolarHBondContact OH-CE1 3.32Å; W159-Y170 CarbonylContact C-O 3.58Å; W159-Y170 WeakPolarHBondContact CA-O 3.34Å; V160-Y170 PolarHBondContact N-O 3.47Å; V160-Y170 WeakPolarHBondContact O-CD2 3.41Å; V160-Y170 PolarHBondContact O-N 3.09Å; D162-Y170 WeakPolarHBondContact OD2-CE2 3.49Å; V168-Y170 HydrophobicContact CB-CE1 4.41Å; V168-Y170 HydrophobicContact CB-CE2 4.22Å; V168-Y170 HydrophobicContact CG1-CD1 3.96Å; V168-Y170 HydrophobicContact CG1-CD2 4.36Å; V168-Y170 HydrophobicContact CG1-CE1 3.58Å; V168-Y170 HydrophobicContact CG1-CE2 4.03Å; V168-Y170 HydrophobicContact CG1-CG 4.33Å; Y170-K186 HydrophobicContact CD1-CD 4.15Å; Y170-K186 HydrophobicContact CD1-CG 3.9Å; Y170-K186 HydrophobicContact CE1-CD 3.86Å; Y170-K186 HydrophobicContact CE1-CG 4.1Å
171E96.4Very high92.8Very high5 Ų544 Ų442%0.02321%0.21CC..EExtended strand (participates in β ladder)trans-98.6142.6173.2-166.9-172.910100111.3K157 Q183 S184 V185 Y187K157-E171 HydrophobicContact CD-CG 4.15Å; K157-E171 WeakPolarHBondContact CE-OE1 3.38Å; K157-E171 VanDerWaalsContact NZ-CD 3.27Å; K157-E171 IonicContact NZ-OE1 3.65Å; K157-E171 PolarHBondContact NZ-OE1 3.36Å; K157-E171 IonicContact NZ-OE2 3.02Å; K157-E171 PolarHBondContact NZ-OE2 3.31Å; E171-Q183 WeakPolarHBondContact O-CA 3.37Å; E171-S184 WeakPolarHBondContact CB-OG 3.47Å; E171-S184 WeakPolarHBondContact CG-OG 3.25Å; E171-S184 PolarHBondContact O-N 2.88Å; E171-S184 PolarHBondContact O-OG 2.88Å; E171-S184 VanDerWaalsContact O-OG 3.1Å; E171-S184 PolarHBondContact OE1-OG 2.87Å; E171-V185 HydrophobicContact CB-CB 3.91Å; E171-V185 PolarHBondContact N-O 3.06Å; E171-Y187 HydrophobicContact CB-CE2 3.89Å; E171-Y187 HydrophobicContact CG-CE2 4.5Å; E171-Y187 PolarHBondContact OE2-OH 3.46Å
172Y96.8Very high92.9Very high4 Ų451.6 Ų51.62%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-124.9136.8167.4-58.7-94.9000108.5Q137 K157 R158 V160 T174 L178 R182 Q183Q137-Y172 PolarHBondContact NE2-OH 2.87Å; K157-Y172 CarbonylContact C-O 3.39Å; K157-Y172 VanDerWaalsContact CA-O 3.23Å; K157-Y172 WeakPolarHBondContact CA-O 3.49Å; R158-Y172 PolarHBondContact N-O 2.83Å; R158-Y172 PolarHBondContact O-N 3.14Å; V160-Y172 HydrophobicContact CB-CE2 4.15Å; V160-Y172 HydrophobicContact CG2-CD2 4.19Å; V160-Y172 HydrophobicContact CG2-CE2 3.68Å; Y172-T174 VanDerWaalsContact C-N 3.33Å; Y172-T174 PolarHBondContact O-N 3.19Å; Y172-L178 HydrophobicContact CD1-CB 4.25Å; Y172-L178 HydrophobicContact CD1-CD1 4.23Å; Y172-L178 HydrophobicContact CD2-CD1 3.57Å; Y172-L178 HydrophobicContact CE1-CD1 4.21Å; Y172-L178 HydrophobicContact CE2-CD1 3.57Å; Y172-L178 HydrophobicContact CG-CB 4.05Å; Y172-L178 HydrophobicContact CG-CD1 3.91Å; Y172-R182 WeakPolarHBondContact CD1-O 3.32Å; Y172-Q183 HydrophobicContact CE1-CB 4.14Å
173R95.2Very high93.3Very high167 Ų16754.1 Ų54.163%0.6325%0.25SC*.SBendtrans-69.3-32.8-177.6-75.6168.5-173.2177.82.6112.8D156 D177D156-R173 CarbonylContact C-O 3.1Å; R173-D177 WeakPolarHBondContact CB-OD2 3.34Å
174T94.9Very high93.7Very high51 Ų5154.8 Ų54.831%0.31325%0.25SS..SBendtrans-144.2163.7-176.764.50000110.6Y172 L176 D177 L178Y172-T174 VanDerWaalsContact C-N 3.33Å; Y172-T174 PolarHBondContact O-N 3.19Å; T174-L176 PolarHBondContact O-N 3.29Å; T174-D177 PolarHBondContact N-OD2 2.94Å; T174-D177 WeakPolarHBondContact O-CB 3.34Å; T174-D177 PolarHBondContact O-N 2.81Å; T174-D177 VanDerWaalsContact OG1-CG 3.22Å; T174-D177 PolarHBondContact OG1-N 3.02Å; T174-D177 PolarHBondContact OG1-OD2 3.31Å; T174-L178 PolarHBondContact O-N 3.45Å
175E93.4Very high94.2Very high66 Ų6654 Ų5431%0.30825%0.251SS..Hα-helixtrans-62.4-30.8170.5-72.8-175.716900112.6H133 R158 L178 L179H133-E175 IonicContact CE1-OE1 2.64Å; H133-E175 PolarHBondContact CE1-OE1 2.02Å; H133-E175 IonicContact CE1-OE2 2.83Å; H133-E175 IonicContact ND1-OE1 3.81Å; H133-E175 IonicContact ND1-OE2 3.91Å; R158-E175 HydrophobicContact CG-CG 4.03Å; R158-E175 IonicContact CZ-OE1 3.18Å; R158-E175 VanDerWaalsContact CZ-OE1 3.27Å; R158-E175 IonicContact NE-OE1 3.19Å; R158-E175 PolarHBondContact NE-OE1 3.29Å; R158-E175 VanDerWaalsContact NE-OE1 3.09Å; R158-E175 VanDerWaalsContact NH2-CD 3.32Å; R158-E175 IonicContact NH2-OE1 3.45Å; R158-E175 PolarHBondContact NH2-OE1 2.93Å; E175-L178 WeakPolarHBondContact O-CB 3.31Å; E175-L178 PolarHBondContact O-N 3.26Å; E175-L179 WeakPolarHBondContact O-CB 3.36Å; E175-L179 PolarHBondContact O-N 3.28Å
176L95.7Very high94.5Very high110 Ų11057.1 Ų57.158%0.57626%0.264SS*.Hα-helixtrans-64.3-42.3172.9-75.5168.3000111.3T174 L178 L179 Y180T174-L176 PolarHBondContact O-N 3.29Å; L176-L178 VanDerWaalsContact C-N 3.3Å; L176-L178 PolarHBondContact O-N 3.33Å; L176-L179 PolarHBondContact O-N 3.32Å; L176-Y180 HydrophobicContact CD2-CE2 4.18Å; L176-Y180 WeakPolarHBondContact O-CD2 3.29Å; L176-Y180 PolarHBondContact O-N 3.41Å
177D96.3Very high94.7Very high36 Ų3658.3 Ų58.319%0.19327%0.269CS..Hα-helixtrans-64.3-37.3175-68.3-46.4000111.5R173 T174 Y180 K181 R182R173-D177 WeakPolarHBondContact CB-OD2 3.34Å; T174-D177 PolarHBondContact N-OD2 2.94Å; T174-D177 WeakPolarHBondContact O-CB 3.34Å; T174-D177 PolarHBondContact O-N 2.81Å; T174-D177 VanDerWaalsContact OG1-CG 3.22Å; T174-D177 PolarHBondContact OG1-N 3.02Å; T174-D177 PolarHBondContact OG1-OD2 3.31Å; D177-Y180 CarbonylContact O-C 3.4Å; D177-K181 PolarHBondContact O-N 3.26Å; D177-R182 HydrophobicContact CB-CB 4.11Å; D177-R182 PolarHBondContact O-N 3.42Å
178L95.8Very high94.8Very high3 Ų363.1 Ų63.12%0.01629%0.285CS..Hα-helixtrans-61.7-49.6172.7179.865.9000111.2S134 W144 R158 V160 Y172 T174 E175 L176 Y180 K181 L387S134-L178 VanDerWaalsContact OG-C 3.28Å; S134-L178 PolarHBondContact OG-O 3.04Å; W144-L178 HydrophobicContact CE3-CD2 3.94Å; W144-L178 HydrophobicContact CZ3-CD2 4Å; R158-L178 HydrophobicContact CB-CD2 4.13Å; R158-L178 HydrophobicContact CG-CD2 4.21Å; V160-L178 HydrophobicContact CG2-CD1 3.67Å; Y172-L178 HydrophobicContact CD1-CB 4.25Å; Y172-L178 HydrophobicContact CD1-CD1 4.23Å; Y172-L178 HydrophobicContact CD2-CD1 3.57Å; Y172-L178 HydrophobicContact CE1-CD1 4.21Å; Y172-L178 HydrophobicContact CE2-CD1 3.57Å; Y172-L178 HydrophobicContact CG-CB 4.05Å; Y172-L178 HydrophobicContact CG-CD1 3.91Å; T174-L178 PolarHBondContact O-N 3.45Å; E175-L178 WeakPolarHBondContact O-CB 3.31Å; E175-L178 PolarHBondContact O-N 3.26Å; L176-L178 VanDerWaalsContact C-N 3.3Å; L176-L178 PolarHBondContact O-N 3.33Å; L178-Y180 VanDerWaalsContact C-N 3.34Å; L178-Y180 PolarHBondContact O-N 3Å; L178-K181 WeakPolarHBondContact O-CD 2.96Å; L178-K181 PolarHBondContact O-N 3.02Å; L178-K181 VanDerWaalsContact O-N 3.16Å; L178-K181 PolarHBondContact O-NZ 3.34Å; L178-L387 HydrophobicContact CD1-CD2 3.97Å; L178-L387 HydrophobicContact CD2-CD2 4.03Å; L178-L387 HydrophobicContact CG-CD2 4.39Å
179L95.8Very high94.7Very high73 Ų7363 Ų6338%0.38228%0.284SS..Hα-helixtrans-55-47.8176.9-17764000112F132 H133 S134 E175 L176 K181F132-L179 HydrophobicContact CE1-CD1 4.46Å; H133-L179 WeakPolarHBondContact O-CD1 3.34Å; S134-L179 VanDerWaalsContact OG-CA 3.25Å; S134-L179 WeakPolarHBondContact OG-CA 3.35Å; S134-L179 PolarHBondContact OG-N 3.47Å; E175-L179 WeakPolarHBondContact O-CB 3.36Å; E175-L179 PolarHBondContact O-N 3.28Å; L176-L179 PolarHBondContact O-N 3.32Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 2.7Å
180Y95.9Very high94.4Very high149 Ų14966.4 Ų66.458%0.58430%0.302SS*.THydrogen-bonded Turntrans-88.310.7-179.1-65.6-62.5000114.8L176 D177 L178 R182L176-Y180 HydrophobicContact CD2-CE2 4.18Å; L176-Y180 WeakPolarHBondContact O-CD2 3.29Å; L176-Y180 PolarHBondContact O-N 3.41Å; D177-Y180 CarbonylContact O-C 3.4Å; L178-Y180 VanDerWaalsContact C-N 3.34Å; L178-Y180 PolarHBondContact O-N 3Å; Y180-R182 VanDerWaalsContact C-N 3.31Å; Y180-R182 PolarHBondContact O-N 2.95Å
181K93.6Very high94.2Very high55 Ų5569.1 Ų69.124%0.23931%0.313CS..THydrogen-bonded Turntrans60.733.9174.9-49.5-47.4174.1-155.60114.6S134 E135 Q137 D177 L178 L179 Q183S134-K181 PolarHBondContact OG-NZ 3.14Å; E135-K181 VanDerWaalsContact O-CE 3.32Å; E135-K181 WeakPolarHBondContact O-CE 3.47Å; E135-K181 PolarHBondContact O-NZ 2.97Å; Q137-K181 HydrophobicContact CG-CB 4.36Å; Q137-K181 HydrophobicContact CG-CD 3.67Å; Q137-K181 HydrophobicContact CG-CG 4.02Å; D177-K181 PolarHBondContact O-N 3.26Å; L178-K181 WeakPolarHBondContact O-CD 2.96Å; L178-K181 PolarHBondContact O-N 3.02Å; L178-K181 VanDerWaalsContact O-N 3.16Å; L178-K181 PolarHBondContact O-NZ 3.34Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 2.7Å; K181-Q183 PolarHBondContact O-N 3.09Å; K181-Q183 PolarHBondContact O-OE1 3.14Å
182R94.7Very high93.9Very high161 Ų16169.4 Ų69.461%0.60831%0.314SS*.  trans-9883.2-179.3-63.3-179.5-177179.30.6110.8Y172 D177 Y180Y172-R182 WeakPolarHBondContact CD1-O 3.32Å; D177-R182 HydrophobicContact CB-CB 4.11Å; D177-R182 PolarHBondContact O-N 3.42Å; Y180-R182 VanDerWaalsContact C-N 3.31Å; Y180-R182 PolarHBondContact O-N 2.95Å
183Q93.3Very high93.7Very high80 Ų8069.2 Ų69.237%0.37431%0.314SS..  trans-64.3140.7176.667.5-90.12.700112.3E171 Y172 K181E171-Q183 WeakPolarHBondContact O-CA 3.37Å; Y172-Q183 HydrophobicContact CE1-CB 4.14Å; K181-Q183 PolarHBondContact O-N 3.09Å; K181-Q183 PolarHBondContact O-OE1 3.14Å
184S94.3Very high93.5Very high36 Ų3661.6 Ų61.625%0.25229%0.286SS..  trans-93.2-46.7174.256.80000112.6E171E171-S184 WeakPolarHBondContact CB-OG 3.47Å; E171-S184 WeakPolarHBondContact CG-OG 3.25Å; E171-S184 PolarHBondContact O-N 2.88Å; E171-S184 PolarHBondContact O-OG 2.88Å; E171-S184 VanDerWaalsContact O-OG 3.1Å; E171-S184 PolarHBondContact OE1-OG 2.87Å
185V94.1Very high93.3Very high55 Ų5559.1 Ų59.133%0.33327%0.271SS..EExtended strand (participates in β ladder)trans-138147.2-175.5-174.30000109.8E171 Y187E171-V185 HydrophobicContact CB-CB 3.91Å; E171-V185 PolarHBondContact N-O 3.06Å; V185-Y187 HydrophobicContact CB-CE2 4.14Å; V185-Y187 HydrophobicContact CG1-CD1 4.11Å; V185-Y187 HydrophobicContact CG1-CD2 4.28Å; V185-Y187 HydrophobicContact CG1-CE1 3.72Å; V185-Y187 HydrophobicContact CG1-CE2 3.93Å; V185-Y187 HydrophobicContact CG1-CG 4.37Å
186K94.1Very high93.4Very high86 Ų8656 Ų5637%0.37426%0.256SS..EExtended strand (participates in β ladder)trans-118.8112.8169.5-60.9-169.3175.6-170.10108.4V168 Y170 Y188V168-K186 HydrophobicContact CG1-CB 4.12Å; Y170-K186 HydrophobicContact CD1-CD 4.15Å; Y170-K186 HydrophobicContact CD1-CG 3.9Å; Y170-K186 HydrophobicContact CE1-CD 3.86Å; Y170-K186 HydrophobicContact CE1-CG 4.1Å; K186-Y188 HydrophobicContact CB-CE2 4.14Å
187Y94.8Very high93.3Very high25 Ų2551 Ų5110%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-91111.2175.7-57.4-80.1000108.7W159 V168 L169 E171 V185 Y218 L220W159-Y187 AromaticContact NE1-CE2 3.8Å; V168-Y187 VanDerWaalsContact CA-O 3.28Å; V168-Y187 WeakPolarHBondContact CA-O 3.49Å; L169-Y187 HydrophobicContact CB-CD2 4.43Å; L169-Y187 HydrophobicContact CD2-CD2 4.24Å; L169-Y187 HydrophobicContact CG-CD2 4.48Å; L169-Y187 PolarHBondContact N-O 2.83Å; L169-Y187 WeakPolarHBondContact O-CD2 3.48Å; L169-Y187 PolarHBondContact O-N 2.86Å; E171-Y187 HydrophobicContact CB-CE2 3.89Å; E171-Y187 HydrophobicContact CG-CE2 4.5Å; E171-Y187 PolarHBondContact OE2-OH 3.46Å; V185-Y187 HydrophobicContact CB-CE2 4.14Å; V185-Y187 HydrophobicContact CG1-CD1 4.11Å; V185-Y187 HydrophobicContact CG1-CD2 4.28Å; V185-Y187 HydrophobicContact CG1-CE1 3.72Å; V185-Y187 HydrophobicContact CG1-CE2 3.93Å; V185-Y187 HydrophobicContact CG1-CG 4.37Å; Y187-Y218 AromaticContact CD1-CE1 3.98Å; Y187-Y218 HydrophobicContact CD1-CE1 3.98Å; Y187-Y218 HydrophobicContact CG-CE1 4.38Å; Y187-L220 HydrophobicContact CD1-CD2 4.34Å; Y187-L220 HydrophobicContact CD2-CD2 3.97Å; Y187-L220 HydrophobicContact CE1-CB 4.29Å; Y187-L220 HydrophobicContact CE1-CD2 4.28Å; Y187-L220 VanDerWaalsContact CE1-O 3.25Å; Y187-L220 WeakPolarHBondContact CE1-O 3.32Å; Y187-L220 HydrophobicContact CE2-CD2 3.88Å; Y187-L220 HydrophobicContact CG-CD2 4.2Å
188Y92.8Very high93.3Very high123 Ų12349.6 Ų49.648%0.48223%0.225SC..EExtended strand (participates in β ladder)trans-84.2112.3170.4-67.8-90.9000107.8V168 K186V168-Y188 HydrophobicContact CG2-CD1 3.55Å; V168-Y188 HydrophobicContact CG2-CE1 3.57Å; V168-Y188 HydrophobicContact CG2-CG 4.31Å; K186-Y188 HydrophobicContact CB-CE2 4.14Å
189I90.5Very high93.4Very high11 Ų1149.6 Ų49.66%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-89.1133.9-175.254.6177.7000110.7P167 Y191 A193 F205 Y207 Y218P167-I189 WeakPolarHBondContact O-CG1 3.37Å; P167-I189 PolarHBondContact O-N 2.67Å; P167-I189 VanDerWaalsContact O-N 3.14Å; I189-Y191 WeakPolarHBondContact CD1-O 3.01Å; I189-Y191 WeakPolarHBondContact CG1-O 2.83Å; I189-Y191 PolarHBondContact O-N 3.35Å; I189-A193 HydrophobicContact CD1-CB 3.85Å; I189-F205 HydrophobicContact CD1-CE1 4.23Å; I189-Y207 HydrophobicContact CD1-CE1 4.25Å; I189-Y207 HydrophobicContact CD1-CE2 4.03Å; I189-Y218 HydrophobicContact CG2-CD2 4Å; I189-Y218 HydrophobicContact CG2-CE2 4.3Å; I189-Y218 HydrophobicContact CG2-CG 4.14Å
190D87.6Confident93.5Very high71 Ų7146.2 Ų46.238%0.3821%0.207SC..EExtended strand (participates in β ladder)trans-62.5-34.1-176.1-68.9-28.8000112.6F9F9-D190 HydrophobicContact CZ-CB 4.08Å
191Y91.8Very high93.5Very high84 Ų8441.1 Ų41.133%0.32919%0.187SC..EExtended strand (participates in β ladder)trans-110125.7174.2-59.5-59.7000109.2I189 A193 Y207 Q209 V216 V225 Q227I189-Y191 WeakPolarHBondContact CD1-O 3.01Å; I189-Y191 WeakPolarHBondContact CG1-O 2.83Å; I189-Y191 PolarHBondContact O-N 3.35Å; Y191-A193 PolarHBondContact O-N 3.02Å; Y191-Y207 WeakPolarHBondContact O-CE2 3.2Å; Y191-Y207 PolarHBondContact O-OH 2.89Å; Y191-Q209 VanDerWaalsContact CD1-NE2 3.27Å; Y191-Q209 HydrophobicContact CG-CG 4.42Å; Y191-V216 HydrophobicContact CD2-CG1 4.2Å; Y191-V216 HydrophobicContact CD2-CG2 4.07Å; Y191-V216 HydrophobicContact CG-CG2 4.48Å; Y191-V225 HydrophobicContact CD2-CG1 3.85Å; Y191-V225 HydrophobicContact CE2-CG1 3.92Å; Y191-Q227 PolarHBondContact OH-OE1 2.83Å
192L91.1Very high93.6Very high11 Ų1140.9 Ų40.96%0.05819%0.189CC..EExtended strand (participates in β ladder)trans-59.7134.5177.3-59.7-176.9000110.9V12 I165 P167 Y210V12-L192 HydrophobicContact CB-CD1 4.09Å; V12-L192 HydrophobicContact CB-CG 4.37Å; V12-L192 HydrophobicContact CG1-CD1 3.6Å; V12-L192 HydrophobicContact CG1-CD2 3.59Å; V12-L192 HydrophobicContact CG1-CG 3.63Å; V12-L192 HydrophobicContact CG2-CD1 3.78Å; V12-L192 HydrophobicContact CG2-CG 3.94Å; I165-L192 HydrophobicContact CG2-CB 3.86Å; I165-L192 HydrophobicContact CG2-CD1 3.53Å; I165-L192 HydrophobicContact CG2-CG 4.26Å; P167-L192 HydrophobicContact CB-CD2 3.59Å; L192-Y210 HydrophobicContact CD1-CD1 3.99Å; L192-Y210 PolarHBondContact O-N 2.97Å
193A92.5Very high93.6Very high1 Ų133.4 Ų33.41%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-77141168.900000110.1I165 S166 I189 Y191 F205 Y207I165-A193 CarbonylContact C-O 3.49Å; I165-A193 VanDerWaalsContact CA-O 3.24Å; I165-A193 WeakPolarHBondContact CA-O 3.32Å; S166-A193 PolarHBondContact N-O 3.25Å; S166-A193 PolarHBondContact O-N 2.94Å; I189-A193 HydrophobicContact CD1-CB 3.85Å; Y191-A193 PolarHBondContact O-N 3.02Å; A193-F205 HydrophobicContact CB-CE1 4.46Å; A193-Y207 VanDerWaalsContact CA-CD2 3.48Å; A193-Y207 HydrophobicContact CB-CD2 3.46Å; A193-Y207 VanDerWaalsContact CB-CD2 3.46Å; A193-Y207 HydrophobicContact CB-CE2 3.98Å; A193-Y207 HydrophobicContact CB-CG 3.89Å
194T90.6Very high93.7Very high6 Ų629.9 Ų29.94%0.03715%0.146CC..EExtended strand (participates in β ladder)trans-116.5145.4174.3-169.80000111.1F164 H208 H268F164-T194 CarbonylContact O-C 3.51Å; F164-T194 WeakPolarHBondContact O-CA 3.35Å; T194-H208 HydrophobicContact CG2-CB 3.84Å; T194-H208 WeakPolarHBondContact CG2-ND1 3.34Å; T194-H208 WeakPolarHBondContact CG2-O 2.92Å; T194-H208 PolarHBondContact N-O 3.43Å; T194-H268 PolarHBondContact OG1-O 2.75Å
195G90.9Very high93.9Very high0 Ų028.2 Ų28.20%013%0.134CC..SBendtrans71.4-161.9-177.700000112.5F161 F164 H268F161-G195 WeakPolarHBondContact CE2-O 3.33Å; F164-G195 PolarHBondContact O-N 3.45Å; G195-H268 WeakPolarHBondContact CA-O 3.02Å; G195-H268 PolarHBondContact N-O 3.46Å
196T94.2Very high94Very high1 Ų125.7 Ų25.71%0.00612%0.118CC..SBendtrans-119.34.7-176.7510000113V141 G142 A143 G198 M266 N269 T368V141-T196 HydrophobicContact CG1-CG2 3.75Å; G142-T196 WeakPolarHBondContact O-CG2 3.14Å; A143-T196 WeakPolarHBondContact CB-O 3.17Å; T196-G198 VanDerWaalsContact C-N 3.29Å; T196-G198 PolarHBondContact O-N 3.49Å; T196-M266 HydrophobicContact CG2-SD 4.16Å; T196-N269 PolarHBondContact OG1-ND2 2.91Å; T196-T368 WeakPolarHBondContact CB-O 2.95Å; T196-T368 PolarHBondContact OG1-O 2.6Å
197G94.7Very high94.2Very high3 Ų321.7 Ų21.73%0.03110%0.101CC..  trans-87.926.6-173.300000115.4D272 F273G197-D272 WeakPolarHBondContact CA-OD1 3.37Å; G197-F273 VanDerWaalsContact O-CB 3.28Å; G197-F273 WeakPolarHBondContact O-CB 3.42Å; G197-F273 VanDerWaalsContact O-CD2 3.26Å; G197-F273 WeakPolarHBondContact O-CD2 3.2Å; G197-F273 PolarHBondContact O-N 3.04Å
198G96.5Very high94.2Very high7 Ų720.6 Ų20.67%0.07210%0.097CC..  trans-86.2147179.800000112M145 T196 F206M145-G198 VanDerWaalsContact SD-O 3.37Å; T196-G198 VanDerWaalsContact C-N 3.29Å; T196-G198 PolarHBondContact O-N 3.49Å; G198-F206 CarbonylContact C-O 3.49Å; G198-F206 VanDerWaalsContact CA-O 3.26Å; G198-F206 WeakPolarHBondContact CA-O 3.04Å
199V97.5Very high94.3Very high4 Ų415.7 Ų15.72%0.0248%0.078CC..EExtended strand (participates in β ladder)trans-134.2152.3-178.9-61.90000112.2F205 F206 F273 T275 L280V199-F205 WeakPolarHBondContact O-CD2 3.18Å; V199-F206 HydrophobicContact CG2-CB 4.02Å; V199-F206 PolarHBondContact N-O 2.71Å; V199-F206 PolarHBondContact O-N 3.41Å; V199-F273 HydrophobicContact CB-CB 4.44Å; V199-F273 HydrophobicContact CG1-CB 4.09Å; V199-F273 WeakPolarHBondContact CG1-O 3.25Å; V199-F273 HydrophobicContact CG2-CB 3.64Å; V199-T275 HydrophobicContact CB-CG2 4.25Å; V199-T275 HydrophobicContact CG1-CG2 4.48Å; V199-T275 HydrophobicContact CG2-CG2 4.03Å; V199-L280 HydrophobicContact CG2-CD1 3.71Å
200V97.4Very high94.2Very high1 Ų116.1 Ų16.11%0.0068%0.079CC..EExtended strand (participates in β ladder)trans-101.7124.7167.21790000108.5M145 D147 A148 W159 S204 F205 L220M145-V200 HydrophobicContact CG-CB 4.15Å; M145-V200 HydrophobicContact CG-CG2 3.87Å; M145-V200 HydrophobicContact SD-CG2 3.96Å; D147-V200 WeakPolarHBondContact CA-O 3.36Å; D147-V200 HydrophobicContact CB-CB 4.5Å; D147-V200 HydrophobicContact CB-CG1 3.8Å; A148-V200 PolarHBondContact N-O 2.94Å; W159-V200 HydrophobicContact CB-CG2 4.16Å; W159-V200 HydrophobicContact CD2-CG1 4.42Å; W159-V200 HydrophobicContact CD2-CG2 3.96Å; W159-V200 HydrophobicContact CE3-CB 4.32Å; W159-V200 HydrophobicContact CE3-CG1 4.26Å; W159-V200 HydrophobicContact CE3-CG2 4.18Å; W159-V200 HydrophobicContact CG-CG2 3.96Å; W159-V200 HydrophobicContact CH2-CG1 4.29Å; W159-V200 HydrophobicContact CZ2-CG1 4.45Å; W159-V200 HydrophobicContact CZ3-CG1 4.22Å; V200-S204 CarbonylContact C-O 3.59Å; V200-S204 WeakPolarHBondContact CA-O 3.41Å; V200-F205 HydrophobicContact CG2-CB 4.41Å; V200-F205 HydrophobicContact CG2-CD2 3.99Å; V200-L220 HydrophobicContact CG1-CD1 3.89Å
201Y96.6Very high94Very high42 Ų4213.8 Ų13.817%0.1657%0.066CC..EExtended strand (participates in β ladder)trans-140.1124.9179.5-171.4-79.1000109.5D147 A148 A149 G203 S204 T275 V300D147-Y201 WeakPolarHBondContact OD1-CA 3.36Å; A148-Y201 HydrophobicContact CB-CD2 3.8Å; A148-Y201 HydrophobicContact CB-CE2 4.37Å; A149-Y201 HydrophobicContact CB-CD1 4.16Å; A149-Y201 HydrophobicContact CB-CD2 4.09Å; A149-Y201 HydrophobicContact CB-CE1 3.76Å; A149-Y201 HydrophobicContact CB-CE2 3.71Å; A149-Y201 HydrophobicContact CB-CG 4.3Å; Y201-G203 PolarHBondContact O-N 2.85Å; Y201-S204 PolarHBondContact N-O 2.7Å; Y201-S204 PolarHBondContact O-N 2.98Å; Y201-S204 VanDerWaalsContact O-N 3.1Å; Y201-T275 HydrophobicContact CD2-CG2 3.66Å; Y201-T275 HydrophobicContact CE2-CG2 4.43Å; Y201-V300 HydrophobicContact CD1-CG1 4.1Å; Y201-V300 HydrophobicContact CD1-CG2 3.8Å; Y201-V300 HydrophobicContact CE1-CG1 4.43Å; Y201-V300 HydrophobicContact CE1-CG2 3.7Å
202N94.9Very high93.9Very high51 Ų5110.2 Ų10.227%0.2735%0.054SC..THydrogen-bonded Turntrans48.256.2-179.7-1623.8000113.4D147 A149 E151 S204D147-N202 PolarHBondContact OD1-N 3.35Å; A149-N202 HydrophobicContact CB-CB 4.37Å; A149-N202 VanDerWaalsContact O-CA 3.25Å; A149-N202 WeakPolarHBondContact O-CA 3.2Å; E151-N202 VanDerWaalsContact CG-OD1 3.23Å; E151-N202 WeakPolarHBondContact CG-OD1 3.46Å; E151-N202 PolarHBondContact OE1-ND2 3.39Å; E151-N202 PolarHBondContact OE1-OD1 2.89Å; N202-S204 PolarHBondContact O-N 2.89Å; N202-S204 VanDerWaalsContact O-N 3.08Å; N202-S204 PolarHBondContact O-OG 2.8Å
203G94.8Very high93.9Very high3 Ų310.3 Ų10.33%0.0316%0.055CC..THydrogen-bonded Turntrans66.312177.900000115.1D147 Y201 L220D147-G203 PolarHBondContact OD2-N 2.04Å; Y201-G203 PolarHBondContact O-N 2.85Å; G203-L220 VanDerWaalsContact O-CB 3.28Å; G203-L220 WeakPolarHBondContact O-CB 3.44Å; G203-L220 VanDerWaalsContact O-CG 3.28Å; G203-L220 WeakPolarHBondContact O-CG 3.37Å; G203-L220 PolarHBondContact O-N 3.34Å
204S96.1Very high94Very high7 Ų713.8 Ų13.85%0.0497%0.068CC..EExtended strand (participates in β ladder)trans-125.4140.2-179.2-57.50000111.4V200 Y201 N202 Y218 H219V200-S204 CarbonylContact C-O 3.59Å; V200-S204 WeakPolarHBondContact CA-O 3.41Å; Y201-S204 PolarHBondContact N-O 2.7Å; Y201-S204 PolarHBondContact O-N 2.98Å; Y201-S204 VanDerWaalsContact O-N 3.1Å; N202-S204 PolarHBondContact O-N 2.89Å; N202-S204 VanDerWaalsContact O-N 3.08Å; N202-S204 PolarHBondContact O-OG 2.8Å; S204-Y218 CarbonylContact C-O 3.48Å; S204-Y218 WeakPolarHBondContact CA-O 3.28Å; S204-H219 PolarHBondContact OG-CD2 2.57Å
205F97.3Very high94.3Very high1 Ų113.6 Ų13.60%0.0047%0.067CC..EExtended strand (participates in β ladder)trans-94.1120.3175.3179.2-129.2000110.2M145 F161 L169 I189 A193 V199 V200 Y207 C217 Y218 L220M145-F205 HydrophobicContact SD-CE2 4.26Å; F161-F205 AromaticContact CD1-CE2 3.84Å; F161-F205 HydrophobicContact CD1-CE2 3.84Å; F161-F205 AromaticContact CD1-CZ 3.63Å; F161-F205 HydrophobicContact CD1-CZ 3.63Å; F161-F205 AromaticContact CE1-CE2 3.69Å; F161-F205 HydrophobicContact CE1-CE2 3.69Å; F161-F205 AromaticContact CE1-CZ 3.65Å; F161-F205 HydrophobicContact CE1-CZ 3.65Å; F161-F205 HydrophobicContact CG-CZ 4.27Å; F161-F205 HydrophobicContact CZ-CZ 4.33Å; L169-F205 HydrophobicContact CD1-CD2 4.24Å; L169-F205 HydrophobicContact CD1-CE1 4.35Å; L169-F205 HydrophobicContact CD1-CE2 4.03Å; L169-F205 HydrophobicContact CD1-CZ 4.1Å; L169-F205 HydrophobicContact CD2-CB 3.89Å; L169-F205 HydrophobicContact CD2-CD1 3.97Å; L169-F205 HydrophobicContact CD2-CD2 4.08Å; L169-F205 HydrophobicContact CD2-CG 3.72Å; I189-F205 HydrophobicContact CD1-CE1 4.23Å; A193-F205 HydrophobicContact CB-CE1 4.46Å; V199-F205 WeakPolarHBondContact O-CD2 3.18Å; V200-F205 HydrophobicContact CG2-CB 4.41Å; V200-F205 HydrophobicContact CG2-CD2 3.99Å; F205-Y207 AromaticContact CD1-CD1 3.28Å; F205-Y207 HydrophobicContact CD1-CD1 3.28Å; F205-Y207 AromaticContact CD1-CE1 3.64Å; F205-Y207 HydrophobicContact CD1-CE1 3.64Å; F205-Y207 HydrophobicContact CD1-CG 4.19Å; F205-Y207 AromaticContact CE1-CD1 3.28Å; F205-Y207 HydrophobicContact CE1-CD1 3.28Å; F205-Y207 AromaticContact CE1-CE1 3.86Å; F205-Y207 HydrophobicContact CE1-CE1 3.86Å; F205-Y207 AromaticContact CE1-CG 3.73Å; F205-Y207 HydrophobicContact CE1-CG 3.73Å; F205-Y207 HydrophobicContact CG-CD1 4.03Å; F205-Y207 HydrophobicContact CZ-CD1 4.04Å; F205-Y207 HydrophobicContact CZ-CG 4.16Å; F205-C217 WeakPolarHBondContact O-CA 3.21Å; F205-Y218 PolarHBondContact N-O 2.89Å; F205-Y218 PolarHBondContact O-N 2.86Å; F205-L220 HydrophobicContact CB-CD2 4.24Å
206F98Very high94.6Very high1 Ų113.6 Ų13.60%0.0047%0.067CC..EExtended strand (participates in β ladder)trans-105.9128.8178.7-67.7-92000110.1G198 V199 V216 C217 F273 L280 V300 L303G198-F206 CarbonylContact C-O 3.49Å; G198-F206 VanDerWaalsContact CA-O 3.26Å; G198-F206 WeakPolarHBondContact CA-O 3.04Å; V199-F206 HydrophobicContact CG2-CB 4.02Å; V199-F206 PolarHBondContact N-O 2.71Å; V199-F206 PolarHBondContact O-N 3.41Å; F206-V216 VanDerWaalsContact CA-O 3.32Å; F206-V216 WeakPolarHBondContact CA-O 3.26Å; F206-C217 HydrophobicContact CD1-CB 3.97Å; F206-C217 HydrophobicContact CE1-CB 3.61Å; F206-C217 VanDerWaalsContact CE1-SG 3.6Å; F206-C217 HydrophobicContact CZ-CB 4.17Å; F206-C217 VanDerWaalsContact CZ-SG 3.5Å; F206-F273 HydrophobicContact CB-CD1 4.01Å; F206-F273 HydrophobicContact CB-CE1 4.26Å; F206-F273 HydrophobicContact CB-CG 4.44Å; F206-L280 HydrophobicContact CB-CD2 4.46Å; F206-L280 HydrophobicContact CD1-CD2 3.57Å; F206-L280 HydrophobicContact CD2-CD2 4.03Å; F206-L280 HydrophobicContact CE1-CD2 3.68Å; F206-L280 HydrophobicContact CE2-CD2 4.15Å; F206-L280 HydrophobicContact CG-CD2 3.76Å; F206-L280 HydrophobicContact CZ-CD2 4Å; F206-V300 HydrophobicContact CE2-CG1 4.22Å; F206-V300 HydrophobicContact CZ-CB 4.47Å; F206-V300 HydrophobicContact CZ-CG1 3.7Å; F206-L303 HydrophobicContact CD1-CD2 4.47Å; F206-L303 HydrophobicContact CE1-CD2 3.65Å
207Y96.9Very high94.8Very high2 Ų213.6 Ų13.61%0.0087%0.067CC..EExtended strand (participates in β ladder)trans-158.2165.1-177.163.4-86.4000112.3I189 Y191 A193 F205 V216I189-Y207 HydrophobicContact CD1-CE1 4.25Å; I189-Y207 HydrophobicContact CD1-CE2 4.03Å; Y191-Y207 WeakPolarHBondContact O-CE2 3.2Å; Y191-Y207 PolarHBondContact O-OH 2.89Å; A193-Y207 VanDerWaalsContact CA-CD2 3.48Å; A193-Y207 HydrophobicContact CB-CD2 3.46Å; A193-Y207 VanDerWaalsContact CB-CD2 3.46Å; A193-Y207 HydrophobicContact CB-CE2 3.98Å; A193-Y207 HydrophobicContact CB-CG 3.89Å; F205-Y207 AromaticContact CD1-CD1 3.28Å; F205-Y207 HydrophobicContact CD1-CD1 3.28Å; F205-Y207 AromaticContact CD1-CE1 3.64Å; F205-Y207 HydrophobicContact CD1-CE1 3.64Å; F205-Y207 HydrophobicContact CD1-CG 4.19Å; F205-Y207 AromaticContact CE1-CD1 3.28Å; F205-Y207 HydrophobicContact CE1-CD1 3.28Å; F205-Y207 AromaticContact CE1-CE1 3.86Å; F205-Y207 HydrophobicContact CE1-CE1 3.86Å; F205-Y207 AromaticContact CE1-CG 3.73Å; F205-Y207 HydrophobicContact CE1-CG 3.73Å; F205-Y207 HydrophobicContact CG-CD1 4.03Å; F205-Y207 HydrophobicContact CZ-CD1 4.04Å; F205-Y207 HydrophobicContact CZ-CG 4.16Å; Y207-V216 HydrophobicContact CD1-CB 4.3Å; Y207-V216 HydrophobicContact CD1-CG1 4.5Å; Y207-V216 HydrophobicContact CD2-CB 4.26Å; Y207-V216 HydrophobicContact CE1-CB 3.84Å; Y207-V216 HydrophobicContact CE1-CG1 3.64Å; Y207-V216 HydrophobicContact CE2-CB 3.84Å; Y207-V216 HydrophobicContact CE2-CG1 4.17Å; Y207-V216 HydrophobicContact CE2-CG2 4.21Å; Y207-V216 VanDerWaalsContact CZ-CG1 3.46Å; Y207-V216 PolarHBondContact N-O 3.25Å; Y207-V216 VanDerWaalsContact N-O 3.09Å; Y207-V216 PolarHBondContact O-N 3.33Å; Y207-V216 WeakPolarHBondContact OH-CG1 3.42Å
208H95.8Very high94.9Very high3 Ų314.7 Ų14.71%0.0147%0.07CC..EExtended strand (participates in β ladder)trans-85.5126.8174.6-177.6-155.6000109.9T194 S212 Y214 A271 F273T194-H208 HydrophobicContact CG2-CB 3.84Å; T194-H208 WeakPolarHBondContact CG2-ND1 3.34Å; T194-H208 WeakPolarHBondContact CG2-O 2.92Å; T194-H208 PolarHBondContact N-O 3.43Å; H208-S212 PolarHBondContact NE2-O 3.48Å; H208-Y214 PolarHBondContact CD2-O 3.36Å; H208-A271 HydrophobicContact CB-CB 4.12Å; H208-F273 HydrophobicContact CB-CE2 4.26Å
209Q94.1Very high94.8Very high19 Ų1917.6 Ų17.69%0.0898%0.082CC..BIsolated β-bridgetrans-73.9127.5176.5171.3178.71.500111.3Y191 Q211 S212 Y214 V216Y191-Q209 VanDerWaalsContact CD1-NE2 3.27Å; Y191-Q209 HydrophobicContact CG-CG 4.42Å; Q209-Q211 PolarHBondContact O-N 3.38Å; Q209-S212 VanDerWaalsContact CB-OG 3.22Å; Q209-S212 WeakPolarHBondContact CB-OG 3.36Å; Q209-S212 VanDerWaalsContact CD-OG 3.23Å; Q209-S212 WeakPolarHBondContact CG-OG 3.32Å; Q209-S212 PolarHBondContact O-N 2.9Å; Q209-S212 PolarHBondContact O-OG 3.23Å; Q209-S212 PolarHBondContact OE1-OG 3.07Å; Q209-Y214 PolarHBondContact N-O 3Å; Q209-V216 HydrophobicContact CB-CG2 3.73Å
210Y88.6Confident94.6Very high20 Ų2017.7 Ų17.78%0.0788%0.082CC..THydrogen-bonded Turntrans-53.6136.6175.8-175.7-122.1000112.9I165 L192 S212 H268I165-Y210 HydrophobicContact CD1-CD1 4.43Å; I165-Y210 HydrophobicContact CD1-CD2 3.8Å; I165-Y210 HydrophobicContact CD1-CE1 3.94Å; I165-Y210 HydrophobicContact CD1-CE2 3.26Å; I165-Y210 HydrophobicContact CD1-CG 4.37Å; I165-Y210 HydrophobicContact CG1-CD2 3.81Å; I165-Y210 HydrophobicContact CG1-CE2 3.76Å; I165-Y210 HydrophobicContact CG1-CG 4.39Å; I165-Y210 HydrophobicContact CG2-CD1 4.24Å; I165-Y210 HydrophobicContact CG2-CD2 4.34Å; I165-Y210 HydrophobicContact CG2-CG 4.07Å; L192-Y210 HydrophobicContact CD1-CD1 3.99Å; L192-Y210 PolarHBondContact O-N 2.97Å; Y210-S212 PolarHBondContact O-N 3.32Å; Y210-H268 AromaticContact CE2-CE1 3.7Å; Y210-H268 AromaticContact CE2-ND1 3.61Å
211Q84.4Confident94.4Very high22 Ų2226 Ų2610%0.10312%0.118CC..THydrogen-bonded Turntrans54.932.1-179.3-52.7-175.3-24.700114.9Q15 Q209 Y235 R236 L239Q15-Q211 VanDerWaalsContact NE2-NE2 3.16Å; Q209-Q211 PolarHBondContact O-N 3.38Å; Q211-Y235 VanDerWaalsContact C-CD2 3.41Å; Q211-Y235 WeakPolarHBondContact O-CD2 3.49Å; Q211-R236 VanDerWaalsContact CA-O 3.29Å; Q211-R236 WeakPolarHBondContact CA-O 3.41Å; Q211-R236 WeakPolarHBondContact CB-O 3.09Å; Q211-R236 VanDerWaalsContact CG-O 3.23Å; Q211-R236 WeakPolarHBondContact CG-O 3.5Å; Q211-L239 VanDerWaalsContact OE1-CD1 3.23Å
212S88.7Confident94.2Very high10 Ų1027.4 Ų27.47%0.0713%0.134CC..SBendtrans-153158.6179.885.70000112.1H208 Q209 Y210 Y214 Y235H208-S212 PolarHBondContact NE2-O 3.48Å; Q209-S212 VanDerWaalsContact CB-OG 3.22Å; Q209-S212 WeakPolarHBondContact CB-OG 3.36Å; Q209-S212 VanDerWaalsContact CD-OG 3.23Å; Q209-S212 WeakPolarHBondContact CG-OG 3.32Å; Q209-S212 PolarHBondContact O-N 2.9Å; Q209-S212 PolarHBondContact O-OG 3.23Å; Q209-S212 PolarHBondContact OE1-OG 3.07Å; Y210-S212 PolarHBondContact O-N 3.32Å; S212-Y214 PolarHBondContact O-N 3.46Å; S212-Y214 PolarHBondContact OG-N 3.42Å; S212-Y235 WeakPolarHBondContact O-CB 3.49Å
213P91.5Very high94.1Very high12 Ų1226.4 Ų26.48%0.07814%0.136CC..SBendtrans-88.236.3174.235.9-35.9000112.2R229 L230 L233 Y235P213-R229 HydrophobicContact CB-CG 4.35Å; P213-R229 HydrophobicContact CG-CG 4.08Å; P213-R229 CarbonylContact O-C 3.55Å; P213-R229 WeakPolarHBondContact O-CA 3.1Å; P213-L230 PolarHBondContact O-N 2.86Å; P213-L233 HydrophobicContact CB-CB 4.47Å; P213-Y235 HydrophobicContact CB-CD1 3.93Å; P213-Y235 HydrophobicContact CB-CE1 4.16Å; P213-Y235 HydrophobicContact CG-CD1 4.26Å; P213-Y235 HydrophobicContact CG-CE1 4.08Å
214Y95.3Very high94.1Very high75 Ų7531.9 Ų31.929%0.29416%0.161SC..EExtended strand (participates in β ladder)trans-110.4133.4-176.3-70.4-91.6000112.3H208 Q209 S212 Q227 K228 R229H208-Y214 PolarHBondContact CD2-O 3.36Å; Q209-Y214 PolarHBondContact N-O 3Å; S212-Y214 PolarHBondContact O-N 3.46Å; S212-Y214 PolarHBondContact OG-N 3.42Å; Y214-Q227 HydrophobicContact CD1-CB 4.24Å; Y214-Q227 HydrophobicContact CD1-CG 3.93Å; Y214-Q227 HydrophobicContact CE1-CG 4.39Å; Y214-K228 CarbonylContact C-O 3.58Å; Y214-K228 WeakPolarHBondContact CA-O 3.33Å; Y214-K228 VanDerWaalsContact CD1-C 3.45Å; Y214-R229 HydrophobicContact CD1-CB 4.02Å; Y214-R229 HydrophobicContact CE1-CB 3.71Å
215M96.8Very high94.1Very high1 Ų133.4 Ų33.41%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-81.8141.7156.762.1174.5171.200109.7Q227 K228 L230 F273 I298 L303M215-Q227 CarbonylContact O-C 3.54Å; M215-Q227 WeakPolarHBondContact O-CA 3.26Å; M215-Q227 WeakPolarHBondContact O-CB 3.28Å; M215-K228 HydrophobicContact CE-CB 3.61Å; M215-K228 HydrophobicContact CE-CG 3.95Å; M215-K228 HydrophobicContact CG-CB 4.04Å; M215-K228 WeakPolarHBondContact CG-O 3.24Å; M215-K228 PolarHBondContact N-O 2.87Å; M215-K228 PolarHBondContact O-N 3.44Å; M215-L230 HydrophobicContact CB-CD1 4.04Å; M215-L230 HydrophobicContact CB-CG 4.33Å; M215-L230 HydrophobicContact CE-CD2 4.05Å; M215-L230 HydrophobicContact CG-CD1 4.36Å; M215-L230 HydrophobicContact CG-CD2 4.38Å; M215-L230 HydrophobicContact CG-CG 4.17Å; M215-L230 HydrophobicContact SD-CD1 4.48Å; M215-L230 HydrophobicContact SD-CD2 4.01Å; M215-L230 HydrophobicContact SD-CG 4.38Å; M215-F273 HydrophobicContact CB-CE1 3.95Å; M215-F273 HydrophobicContact CB-CZ 3.57Å; M215-F273 HydrophobicContact SD-CE1 4.38Å; M215-I298 HydrophobicContact CE-CD1 4.01Å; M215-I298 HydrophobicContact CE-CG2 3.82Å; M215-I298 HydrophobicContact SD-CD1 4.15Å; M215-I298 HydrophobicContact SD-CG1 4.27Å; M215-I298 HydrophobicContact SD-CG2 3.99Å; M215-L303 HydrophobicContact CE-CB 3.96Å; M215-L303 WeakPolarHBondContact CE-O 3.34Å
216V97.5Very high94.1Very high0 Ų037.7 Ų37.70%019%0.186CC..EExtended strand (participates in β ladder)trans-120.1139.1178.1179.60000109.4Y191 F206 Y207 Q209 V225 R226 Q227Y191-V216 HydrophobicContact CD2-CG1 4.2Å; Y191-V216 HydrophobicContact CD2-CG2 4.07Å; Y191-V216 HydrophobicContact CG-CG2 4.48Å; F206-V216 VanDerWaalsContact CA-O 3.32Å; F206-V216 WeakPolarHBondContact CA-O 3.26Å; Y207-V216 HydrophobicContact CD1-CB 4.3Å; Y207-V216 HydrophobicContact CD1-CG1 4.5Å; Y207-V216 HydrophobicContact CD2-CB 4.26Å; Y207-V216 HydrophobicContact CE1-CB 3.84Å; Y207-V216 HydrophobicContact CE1-CG1 3.64Å; Y207-V216 HydrophobicContact CE2-CB 3.84Å; Y207-V216 HydrophobicContact CE2-CG1 4.17Å; Y207-V216 HydrophobicContact CE2-CG2 4.21Å; Y207-V216 VanDerWaalsContact CZ-CG1 3.46Å; Y207-V216 PolarHBondContact N-O 3.25Å; Y207-V216 VanDerWaalsContact N-O 3.09Å; Y207-V216 PolarHBondContact O-N 3.33Å; Y207-V216 WeakPolarHBondContact OH-CG1 3.42Å; Q209-V216 HydrophobicContact CB-CG2 3.73Å; V216-V225 HydrophobicContact CG1-CG1 3.61Å; V216-R226 WeakPolarHBondContact CA-O 3.45Å; V216-Q227 HydrophobicContact CG2-CB 4.12Å
217C97.5Very high94Very high1 Ų141 Ų411%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-116.8116.4171.3174.50000107.8F205 F206 V225 R226 L303F205-C217 WeakPolarHBondContact O-CA 3.21Å; F206-C217 HydrophobicContact CD1-CB 3.97Å; F206-C217 HydrophobicContact CE1-CB 3.61Å; F206-C217 VanDerWaalsContact CE1-SG 3.6Å; F206-C217 HydrophobicContact CZ-CB 4.17Å; F206-C217 VanDerWaalsContact CZ-SG 3.5Å; C217-V225 WeakPolarHBondContact O-CA 3.37Å; C217-R226 PolarHBondContact N-O 2.84Å; C217-R226 PolarHBondContact O-N 2.93Å; C217-L303 HydrophobicContact CB-CD1 3.88Å; C217-L303 HydrophobicContact CB-CD2 3.78Å; C217-L303 HydrophobicContact CB-CG 4.42Å
218Y96.5Very high94Very high26 Ų2645.5 Ų45.510%0.10222%0.221CC..EExtended strand (participates in β ladder)trans-109.8111.1176.5-178.1-82.5000109.4Y187 I189 S204 F205 L220 V225Y187-Y218 AromaticContact CD1-CE1 3.98Å; Y187-Y218 HydrophobicContact CD1-CE1 3.98Å; Y187-Y218 HydrophobicContact CG-CE1 4.38Å; I189-Y218 HydrophobicContact CG2-CD2 4Å; I189-Y218 HydrophobicContact CG2-CE2 4.3Å; I189-Y218 HydrophobicContact CG2-CG 4.14Å; S204-Y218 CarbonylContact C-O 3.48Å; S204-Y218 WeakPolarHBondContact CA-O 3.28Å; F205-Y218 PolarHBondContact N-O 2.89Å; F205-Y218 PolarHBondContact O-N 2.86Å; Y218-L220 HydrophobicContact CD1-CD2 4.1Å; Y218-L220 HydrophobicContact CE1-CD2 4.37Å; Y218-L220 PolarHBondContact O-N 2.62Å; Y218-V225 HydrophobicContact CD2-CG2 3.56Å; Y218-V225 HydrophobicContact CE2-CG2 3.93Å
219H94.8Very high94Very high68 Ų6853.1 Ų53.132%0.31525%0.25SC..EExtended strand (participates in β ladder)trans-78.8115.3180-178.5-100.6000110.8S204 K221 S222 G223 Q224S204-H219 PolarHBondContact OG-CD2 2.57Å; H219-K221 VanDerWaalsContact C-N 3.31Å; H219-K221 PolarHBondContact O-N 2.91Å; H219-S222 WeakPolarHBondContact ND1-CB 3.46Å; H219-S222 PolarHBondContact ND1-N 2.89Å; H219-S222 VanDerWaalsContact ND1-N 3.16Å; H219-S222 PolarHBondContact ND1-OG 2.8Å; H219-S222 PolarHBondContact O-N 2.96Å; H219-G223 WeakPolarHBondContact O-CA 3.35Å; H219-G223 PolarHBondContact O-N 3.06Å; H219-Q224 PolarHBondContact N-O 3.33Å
220L94.2Very high94Very high7 Ų752.3 Ų52.34%0.03725%0.246CC..THydrogen-bonded Turntrans-64.4-32.3-165.7-63.7170.7000113.4W159 L169 Y187 V200 G203 F205 Y218W159-L220 HydrophobicContact CZ2-CD1 3.66Å; L169-L220 HydrophobicContact CD2-CD2 3.73Å; Y187-L220 HydrophobicContact CD1-CD2 4.34Å; Y187-L220 HydrophobicContact CD2-CD2 3.97Å; Y187-L220 HydrophobicContact CE1-CB 4.29Å; Y187-L220 HydrophobicContact CE1-CD2 4.28Å; Y187-L220 VanDerWaalsContact CE1-O 3.25Å; Y187-L220 WeakPolarHBondContact CE1-O 3.32Å; Y187-L220 HydrophobicContact CE2-CD2 3.88Å; Y187-L220 HydrophobicContact CG-CD2 4.2Å; V200-L220 HydrophobicContact CG1-CD1 3.89Å; G203-L220 VanDerWaalsContact O-CB 3.28Å; G203-L220 WeakPolarHBondContact O-CB 3.44Å; G203-L220 VanDerWaalsContact O-CG 3.28Å; G203-L220 WeakPolarHBondContact O-CG 3.37Å; G203-L220 PolarHBondContact O-N 3.34Å; F205-L220 HydrophobicContact CB-CD2 4.24Å; Y218-L220 HydrophobicContact CD1-CD2 4.1Å; Y218-L220 HydrophobicContact CE1-CD2 4.37Å; Y218-L220 PolarHBondContact O-N 2.62Å
221K92.3Very high94.2Very high174 Ų17454.2 Ų54.276%0.75727%0.266SS*.THydrogen-bonded Turntrans-81.4-40.9-177.9-167.4176.7176.1-178.70113.4Y154 H219Y154-K221 WeakPolarHBondContact OH-CB 3.02Å; H219-K221 VanDerWaalsContact C-N 3.31Å; H219-K221 PolarHBondContact O-N 2.91Å
222S92.9Very high94.6Very high72 Ų7257.4 Ų57.450%0.50328%0.28SS..THydrogen-bonded Turntrans-96-16.9-174.1680000113.1H219 Q224H219-S222 WeakPolarHBondContact ND1-CB 3.46Å; H219-S222 PolarHBondContact ND1-N 2.89Å; H219-S222 VanDerWaalsContact ND1-N 3.16Å; H219-S222 PolarHBondContact ND1-OG 2.8Å; H219-S222 PolarHBondContact O-N 2.96Å; S222-Q224 PolarHBondContact O-N 2.83Å; S222-Q224 VanDerWaalsContact OG-CB 3.3Å; S222-Q224 WeakPolarHBondContact OG-CB 3.41Å; S222-Q224 PolarHBondContact OG-N 2.9Å
223G92.9Very high94.7Very high30 Ų3057.2 Ų57.231%0.30928%0.279SS..  trans69.29.3-170.600000113.7H219 V225H219-G223 WeakPolarHBondContact O-CA 3.35Å; H219-G223 PolarHBondContact O-N 3.06Å; G223-V225 PolarHBondContact O-N 2.03Å
224Q94.7Very high94.5Very high119 Ų11956.7 Ų56.756%0.55628%0.275SS*.  trans-70.3132179.7-173.9179.222.400110.4H219 S222H219-Q224 PolarHBondContact N-O 3.33Å; S222-Q224 PolarHBondContact O-N 2.83Å; S222-Q224 VanDerWaalsContact OG-CB 3.3Å; S222-Q224 WeakPolarHBondContact OG-CB 3.41Å; S222-Q224 PolarHBondContact OG-N 2.9Å
225V95.8Very high93.9Very high38 Ų3856.3 Ų56.323%0.2327%0.274CS..EExtended strand (participates in β ladder)trans-111.3133.7179.6-1690000110.3Y191 V216 C217 Y218 G223Y191-V225 HydrophobicContact CD2-CG1 3.85Å; Y191-V225 HydrophobicContact CE2-CG1 3.92Å; V216-V225 HydrophobicContact CG1-CG1 3.61Å; C217-V225 WeakPolarHBondContact O-CA 3.37Å; Y218-V225 HydrophobicContact CD2-CG2 3.56Å; Y218-V225 HydrophobicContact CE2-CG2 3.93Å; G223-V225 PolarHBondContact O-N 2.03Å
226R96.1Very high92.7Very high91 Ų9158.2 Ų58.234%0.34328%0.281SS..EExtended strand (participates in β ladder)trans-131.8148.3172.7-62.2-179.6-63.5170.611108.9V216 C217 V300 E301 L303V216-R226 WeakPolarHBondContact CA-O 3.45Å; C217-R226 PolarHBondContact N-O 2.84Å; C217-R226 PolarHBondContact O-N 2.93Å; R226-V300 PolarHBondContact NH2-O 3.36Å; R226-V300 VanDerWaalsContact NH2-O 3.14Å; R226-E301 PolarHBondContact NH1-O 3.43Å; R226-E301 PolarHBondContact NH2-O 3.14Å; R226-L303 HydrophobicContact CB-CD1 3.67Å
227Q96.2Very high91Very high71 Ų7160.9 Ų60.933%0.33230%0.295SS..EExtended strand (participates in β ladder)trans-138153.1178.172.6-175.451.700111.3Y191 Y214 M215 V216Y191-Q227 PolarHBondContact OH-OE1 2.83Å; Y214-Q227 HydrophobicContact CD1-CB 4.24Å; Y214-Q227 HydrophobicContact CD1-CG 3.93Å; Y214-Q227 HydrophobicContact CE1-CG 4.39Å; M215-Q227 CarbonylContact O-C 3.54Å; M215-Q227 WeakPolarHBondContact O-CA 3.26Å; M215-Q227 WeakPolarHBondContact O-CB 3.28Å; V216-Q227 HydrophobicContact CG2-CB 4.12Å
228K96.5Very high89.2Confident96 Ų9662.6 Ų62.642%0.41731%0.307SS..EExtended strand (participates in β ladder)trans-141.5139.9173-170.781.3172.8-171.60109.8Y214 M215 L303Y214-K228 CarbonylContact C-O 3.58Å; Y214-K228 WeakPolarHBondContact CA-O 3.33Å; Y214-K228 VanDerWaalsContact CD1-C 3.45Å; M215-K228 HydrophobicContact CE-CB 3.61Å; M215-K228 HydrophobicContact CE-CG 3.95Å; M215-K228 HydrophobicContact CG-CB 4.04Å; M215-K228 WeakPolarHBondContact CG-O 3.24Å; M215-K228 PolarHBondContact N-O 2.87Å; M215-K228 PolarHBondContact O-N 3.44Å; K228-L303 HydrophobicContact CB-CB 3.98Å; K228-L303 VanDerWaalsContact CG-O 3.29Å; K228-L303 WeakPolarHBondContact CG-O 3.41Å
229R95.7Very high87.1Confident163 Ų16365.1 Ų65.162%0.61532%0.321SS*.EExtended strand (participates in β ladder)trans-73.5130.6174.5-172.5172.3-177.5179.12.1110.4P213 Y214P213-R229 HydrophobicContact CB-CG 4.35Å; P213-R229 HydrophobicContact CG-CG 4.08Å; P213-R229 CarbonylContact O-C 3.55Å; P213-R229 WeakPolarHBondContact O-CA 3.1Å; Y214-R229 HydrophobicContact CD1-CB 4.02Å; Y214-R229 HydrophobicContact CE1-CB 3.71Å
230L95.3Very high84.8Confident3 Ų367.6 Ų67.62%0.01634%0.336CS..PPolyproline II helixtrans-92.5135.1169.4-68.1174.6000109.7P213 M215 L233 V282 Y284 I298 V305P213-L230 PolarHBondContact O-N 2.86Å; M215-L230 HydrophobicContact CB-CD1 4.04Å; M215-L230 HydrophobicContact CB-CG 4.33Å; M215-L230 HydrophobicContact CE-CD2 4.05Å; M215-L230 HydrophobicContact CG-CD1 4.36Å; M215-L230 HydrophobicContact CG-CD2 4.38Å; M215-L230 HydrophobicContact CG-CG 4.17Å; M215-L230 HydrophobicContact SD-CD1 4.48Å; M215-L230 HydrophobicContact SD-CD2 4.01Å; M215-L230 HydrophobicContact SD-CG 4.38Å; L230-L233 HydrophobicContact CB-CB 4Å; L230-L233 HydrophobicContact CB-CD2 3.96Å; L230-L233 HydrophobicContact CD1-CD2 3.9Å; L230-L233 HydrophobicContact CG-CD2 4.47Å; L230-V282 HydrophobicContact CD1-CG1 4.05Å; L230-V282 HydrophobicContact CD1-CG2 4.02Å; L230-V282 HydrophobicContact CD2-CG1 4.31Å; L230-Y284 HydrophobicContact CD1-CE1 4.33Å; L230-I298 HydrophobicContact CD2-CD1 4.38Å; L230-V305 HydrophobicContact CD2-CG2 4.16Å
231A93Very high82.3Confident59 Ų5971 Ų7149%0.48835%0.351SS..THydrogen-bonded Turntrans-75.1135.8-178.500000110.4L233 Y284A231-L233 PolarHBondContact O-N 2.97Å; A231-L233 VanDerWaalsContact O-N 3.15Å; A231-Y284 VanDerWaalsContact O-CE2 3.26Å; A231-Y284 WeakPolarHBondContact O-CE2 3.44Å; A231-Y284 PolarHBondContact O-OH 2.82Å
232H91.8Very high79.9Confident90 Ų9071.1 Ų71.142%0.41735%0.354SS..THydrogen-bonded Turntrans5825.1176.4-45.2-64.5000114.9T287 F288H232-T287 WeakPolarHBondContact CA-OG1 3.48Å; H232-T287 PolarHBondContact O-N 3.27Å; H232-T287 PolarHBondContact O-OG1 3.3Å; H232-T287 VanDerWaalsContact O-OG1 3.09Å; H232-F288 HydrophobicContact CB-CB 4.24Å; H232-F288 WeakPolarHBondContact ND1-CB 2.99Å
233L91.6Very high77.5Confident6 Ų676.6 Ų76.63%0.03137%0.369CS..BIsolated β-bridgetrans-80.6126172.7172.859.3000110P213 L230 A231 F270 A271 Y284P213-L233 HydrophobicContact CB-CB 4.47Å; L230-L233 HydrophobicContact CB-CB 4Å; L230-L233 HydrophobicContact CB-CD2 3.96Å; L230-L233 HydrophobicContact CD1-CD2 3.9Å; L230-L233 HydrophobicContact CG-CD2 4.47Å; A231-L233 PolarHBondContact O-N 2.97Å; A231-L233 VanDerWaalsContact O-N 3.15Å; L233-F270 HydrophobicContact CD1-CB 4.35Å; L233-A271 HydrophobicContact CD1-CB 3.9Å; L233-A271 HydrophobicContact CD2-CB 4.37Å; L233-Y284 HydrophobicContact CB-CD2 4.02Å; L233-Y284 HydrophobicContact CB-CE2 4.04Å; L233-Y284 HydrophobicContact CD1-CD2 3.78Å; L233-Y284 HydrophobicContact CD1-CG 3.72Å
234A86.7Confident75.1Confident1 Ų175.9 Ų75.91%0.00836%0.359CS..  trans-61.9144.5168.500000111.6D260 F270 T287A234-D260 HydrophobicContact CB-CB 3.47Å; A234-D260 VanDerWaalsContact CB-CB 3.47Å; A234-F270 HydrophobicContact CB-CD1 3.69Å; A234-F270 HydrophobicContact CB-CE1 4.36Å; A234-F270 HydrophobicContact CB-CG 4.46Å; A234-F270 WeakPolarHBondContact O-CB 3.36Å; A234-T287 HydrophobicContact CB-CG2 3.71Å
235Y83.2Confident72.7Confident66 Ų6676.3 Ų76.326%0.25937%0.372SS..  trans-153.9151.3170.664.7-77000110.2Q211 S212 P213 D237Q211-Y235 VanDerWaalsContact C-CD2 3.41Å; Q211-Y235 WeakPolarHBondContact O-CD2 3.49Å; S212-Y235 WeakPolarHBondContact O-CB 3.49Å; P213-Y235 HydrophobicContact CB-CD1 3.93Å; P213-Y235 HydrophobicContact CB-CE1 4.16Å; P213-Y235 HydrophobicContact CG-CD1 4.26Å; P213-Y235 HydrophobicContact CG-CE1 4.08Å; Y235-D237 HydrophobicContact CD2-CB 4.12Å; Y235-D237 HydrophobicContact CE2-CB 3.66Å; Y235-D237 PolarHBondContact O-N 3.24Å; Y235-D237 VanDerWaalsContact O-N 3.12Å
236R71.1Confident70.8Confident42 Ų4280 Ų8016%0.15839%0.391CS..  trans-76.8101.1175.3-167.7177.5-175168.26.4109.7Q211 C238 C253 N254 H268 F270Q211-R236 VanDerWaalsContact CA-O 3.29Å; Q211-R236 WeakPolarHBondContact CA-O 3.41Å; Q211-R236 WeakPolarHBondContact CB-O 3.09Å; Q211-R236 VanDerWaalsContact CG-O 3.23Å; Q211-R236 WeakPolarHBondContact CG-O 3.5Å; R236-C238 PolarHBondContact NE-SG 3.4Å; R236-C238 PolarHBondContact O-N 3.49Å; R236-C253 VanDerWaalsContact NH2-CB 3.3Å; R236-N254 PolarHBondContact NH2-OD1 2.71Å; R236-H268 VanDerWaalsContact CD-CE1 3.47Å; R236-H268 WeakPolarHBondContact CD-CE1 3.41Å; R236-H268 PolarHBondContact NH1-CE1 3.2Å; R236-H268 VanDerWaalsContact NH1-CE1 3.3Å; R236-H268 PolarHBondContact NH1-NE2 3.5Å; R236-F270 HydrophobicContact CB-CE2 3.84Å; R236-F270 HydrophobicContact CB-CZ 3.83Å
237D62.5Low68.4Low56 Ų5679 Ų7930%0.29941%0.409SS..  trans-91.393.5170.8-162.1-21.2000110.6Y235 L239 L240Y235-D237 HydrophobicContact CD2-CB 4.12Å; Y235-D237 HydrophobicContact CE2-CB 3.66Å; Y235-D237 PolarHBondContact O-N 3.24Å; Y235-D237 VanDerWaalsContact O-N 3.12Å; D237-L239 VanDerWaalsContact C-N 3.34Å; D237-L239 PolarHBondContact OD1-N 2.85Å; D237-L239 VanDerWaalsContact OD1-N 3.12Å; D237-L240 PolarHBondContact OD1-N 2.8Å; D237-L240 WeakPolarHBondContact OD2-CB 3.22Å; D237-L240 WeakPolarHBondContact OD2-CD1 3.46Å
238C59.7Low66.1Low37 Ų3783 Ų8325%0.2543%0.432CS..SBendtrans-89.1-0.9176.6-89.70000113.7R236 C253R236-C238 PolarHBondContact NE-SG 3.4Å; R236-C238 PolarHBondContact O-N 3.49Å; C238-C253 WeakPolarHBondContact CA-SG 3.21Å; C238-C253 HydrophobicContact CB-CB 4.42Å; C238-C253 WeakPolarHBondContact CB-SG 3.44Å; C238-C253 WeakPolarHBondContact SG-CB 3.36Å; C238-C253 CovalentContact SG-SG 2.04Å; C238-C253 PolarHBondContact SG-SG 3.5Å
239L53Low63.7Low78 Ų7881.8 Ų81.841%0.40843%0.433SS..SBendtrans-115.9-14.1-171.4-67.8171000112.9I11 Q211 D237 K241I11-L239 HydrophobicContact CD1-CD1 4.41Å; I11-L239 HydrophobicContact CG2-CD1 3.91Å; Q211-L239 VanDerWaalsContact OE1-CD1 3.23Å; D237-L239 VanDerWaalsContact C-N 3.34Å; D237-L239 PolarHBondContact OD1-N 2.85Å; D237-L239 VanDerWaalsContact OD1-N 3.12Å; L239-K241 PolarHBondContact O-N 2.73Å
240L45.4Very low61.3Low120 Ų12081.8 Ų81.863%0.62844%0.444SS*.  trans-100.786.8175.2-75161.8000112.5D237D237-L240 PolarHBondContact OD1-N 2.8Å; D237-L240 WeakPolarHBondContact OD2-CB 3.22Å; D237-L240 WeakPolarHBondContact OD2-CD1 3.46Å
241K42.7Very low58.9Low80 Ų8085.5 Ų85.535%0.34846%0.457SS..  trans-151.648145.1-128.8138.6168.6-1700113.3L239 F243 W251L239-K241 PolarHBondContact O-N 2.73Å; K241-F243 PolarHBondContact O-N 2.97Å; K241-W251 HydrophobicContact CB-CB 4.48Å; K241-W251 HydrophobicContact CB-CD2 4.48Å; K241-W251 HydrophobicContact CB-CG 3.86Å; K241-W251 HydrophobicContact CD-CB 4.41Å; K241-W251 HydrophobicContact CD-CD2 3.33Å; K241-W251 HydrophobicContact CD-CE3 3.84Å; K241-W251 HydrophobicContact CD-CG 3.53Å; K241-W251 HydrophobicContact CD-CH2 4.48Å; K241-W251 HydrophobicContact CD-CZ2 3.96Å; K241-W251 HydrophobicContact CD-CZ3 4.43Å; K241-W251 VanDerWaalsContact CE-CD2 3.5Å; K241-W251 VanDerWaalsContact CG-CD1 3.49Å; K241-W251 HydrophobicContact CG-CD2 4.07Å; K241-W251 HydrophobicContact CG-CG 3.98Å; K241-W251 HydrophobicContact CG-CZ2 4.41Å; K241-W251 VanDerWaalsContact CG-NE1 3.32Å
242E41.4Very low56.8Low175 Ų17586 Ų8682%0.81845%0.451SS*.THydrogen-bonded Turntrans-73.38.3165-71.5-173.6163.500113.2
243F42.8Very low55Low188 Ų18883.6 Ų83.683%0.82545%0.445SS*.THydrogen-bonded Turntrans-125.140.3172.5-65.1-79.7000112.3K241K241-F243 PolarHBondContact O-N 2.97Å
244S41.4Very low53.2Low14 Ų1488.8 Ų88.810%0.09847%0.473CS..  trans-63.5127.8147.4169.40000106.4D246 G247S244-D246 PolarHBondContact O-N 3.23Å; S244-D246 PolarHBondContact OG-N 3.38Å; S244-G247 PolarHBondContact O-N 3.12Å
245P44.7Very low51.4Low128 Ų12898.7 Ų98.783%0.83151%0.51SS*.THydrogen-bonded Turntrans-53.6-18.2176-23.332.7000113.2
246D56.5Low49.7Very low117 Ų11797.7 Ų97.763%0.62651%0.51SS*.THydrogen-bonded Turntrans-104.9-4.1-168.8-42.5-40000112.6S244 D248S244-D246 PolarHBondContact O-N 3.23Å; S244-D246 PolarHBondContact OG-N 3.38Å; D246-D248 PolarHBondContact O-N 2.87Å
247G45.9Very low48.6Very low69 Ų69101.8 Ų101.871%0.71155%0.545SS*.SBendtrans63.7-11.4173.900000117.2S244S244-G247 PolarHBondContact O-N 3.12Å
248D46.3Very low48.1Very low154 Ų154104.3 Ų104.382%0.82456%0.563SS**  trans-107.2-2.2-166-77.4-21000114.3D246D246-D248 PolarHBondContact O-N 2.87Å
249V47Very low48.1Very low71 Ų71107.2 Ų107.243%0.4357%0.569SS.*  trans-102.696.7-179.5-169.50000109.8W251V249-W251 HydrophobicContact CG1-CD2 4.31Å; V249-W251 HydrophobicContact CG1-CG 4.17Å; V249-W251 PolarHBondContact O-N 3.45Å; V249-W251 VanDerWaalsContact O-N 3.14Å
250I45.4Very low48.8Very low164 Ų164106.9 Ų106.984%0.84157%0.567SS**  trans-65.2107.8152.8-62.3172.8000105.1D252I250-D252 PolarHBondContact O-N 2.85Å
251W44.6Very low50.1Low81 Ų81106.2 Ų106.231%0.30756%0.564SS.*  trans-66.8107.5177.6-68.266.6000107.1K241 V249 C253 T256K241-W251 HydrophobicContact CB-CB 4.48Å; K241-W251 HydrophobicContact CB-CD2 4.48Å; K241-W251 HydrophobicContact CB-CG 3.86Å; K241-W251 HydrophobicContact CD-CB 4.41Å; K241-W251 HydrophobicContact CD-CD2 3.33Å; K241-W251 HydrophobicContact CD-CE3 3.84Å; K241-W251 HydrophobicContact CD-CG 3.53Å; K241-W251 HydrophobicContact CD-CH2 4.48Å; K241-W251 HydrophobicContact CD-CZ2 3.96Å; K241-W251 HydrophobicContact CD-CZ3 4.43Å; K241-W251 VanDerWaalsContact CE-CD2 3.5Å; K241-W251 VanDerWaalsContact CG-CD1 3.49Å; K241-W251 HydrophobicContact CG-CD2 4.07Å; K241-W251 HydrophobicContact CG-CG 3.98Å; K241-W251 HydrophobicContact CG-CZ2 4.41Å; K241-W251 VanDerWaalsContact CG-NE1 3.32Å; V249-W251 HydrophobicContact CG1-CD2 4.31Å; V249-W251 HydrophobicContact CG1-CG 4.17Å; V249-W251 PolarHBondContact O-N 3.45Å; V249-W251 VanDerWaalsContact O-N 3.14Å; W251-C253 PolarHBondContact O-N 2.76Å; W251-T256 HydrophobicContact CD2-CG2 4.16Å; W251-T256 HydrophobicContact CE3-CG2 3.1Å; W251-T256 HydrophobicContact CZ3-CG2 3.46Å; W251-T256 VanDerWaalsContact CZ3-CG2 3.46Å
252D49.3Very low52Low68 Ų68103.8 Ų103.836%0.36456%0.555SS.*  trans-56.7107.9164.8179.6-3.9000106I250 N254 R255I250-D252 PolarHBondContact O-N 2.85Å; D252-N254 PolarHBondContact O-N 2.97Å; D252-N254 WeakPolarHBondContact OD1-CB 3.44Å; D252-N254 PolarHBondContact OD1-N 2.71Å; D252-R255 HydrophobicContact CB-CB 4.11Å; D252-R255 HydrophobicContact CB-CG 4.13Å; D252-R255 PolarHBondContact O-N 3.2Å; D252-R255 VanDerWaalsContact OD2-CD 3.29Å; D252-R255 WeakPolarHBondContact OD2-CD 3.25Å; D252-R255 WeakPolarHBondContact OD2-CG 3.49Å; D252-R255 IonicContact OD2-CZ 3.97Å; D252-R255 IonicContact OD2-NE 3.6Å; D252-R255 PolarHBondContact OD2-NE 2.87Å
253C54.5Low54.2Low40 Ų4096.3 Ų96.327%0.2752%0.521SS..THydrogen-bonded Turntrans-55.1-15.6-178.1-63.50000112.9R236 C238 W251R236-C253 VanDerWaalsContact NH2-CB 3.3Å; C238-C253 WeakPolarHBondContact CA-SG 3.21Å; C238-C253 HydrophobicContact CB-CB 4.42Å; C238-C253 WeakPolarHBondContact CB-SG 3.44Å; C238-C253 WeakPolarHBondContact SG-CB 3.36Å; C238-C253 CovalentContact SG-SG 2.04Å; C238-C253 PolarHBondContact SG-SG 3.5Å; W251-C253 PolarHBondContact O-N 2.76Å
254N52.6Low56.2Low116 Ų11688 Ų8862%0.6248%0.484SS*.THydrogen-bonded Turntrans-89.4-9.5177.4-73.7-7.9000114R236 D252R236-N254 PolarHBondContact NH2-OD1 2.71Å; D252-N254 PolarHBondContact O-N 2.97Å; D252-N254 WeakPolarHBondContact OD1-CB 3.44Å; D252-N254 PolarHBondContact OD1-N 2.71Å
255R48.8Very low57.9Low208 Ų20891.3 Ų91.379%0.78552%0.52SS*.SBendtrans-112.8-2.4-166.2-76.3-172.4-166.5-146.1-4.1117.2D252D252-R255 HydrophobicContact CB-CB 4.11Å; D252-R255 HydrophobicContact CB-CG 4.13Å; D252-R255 PolarHBondContact O-N 3.2Å; D252-R255 VanDerWaalsContact OD2-CD 3.29Å; D252-R255 WeakPolarHBondContact OD2-CD 3.25Å; D252-R255 WeakPolarHBondContact OD2-CG 3.49Å; D252-R255 IonicContact OD2-CZ 3.97Å; D252-R255 IonicContact OD2-NE 3.6Å; D252-R255 PolarHBondContact OD2-NE 2.87Å
256T47.3Very low59.4Low45 Ų4586.9 Ų86.928%0.27649%0.489SS..  trans-114.9132.2-167.762.80000113.2W251 V258W251-T256 HydrophobicContact CD2-CG2 4.16Å; W251-T256 HydrophobicContact CE3-CG2 3.1Å; W251-T256 HydrophobicContact CZ3-CG2 3.46Å; W251-T256 VanDerWaalsContact CZ3-CG2 3.46Å; T256-V258 PolarHBondContact O-N 3.43Å
257S48Very low60.2Low128 Ų12885.8 Ų85.890%0.89548%0.48SS*.SBendtrans-60.219.7178.948.10000115.8
258V53.6Low61.5Low110 Ų11082.9 Ų82.967%0.66745%0.448SS*.  trans-131.153.4-178.3-166.10000107.6T256T256-V258 PolarHBondContact O-N 3.43Å
259R59.7Low63.4Low98 Ų9875.5 Ų75.537%0.3741%0.409SS..  trans-107.2126.9173.6176173.1176.6-179.23.4106.7D261 N262R259-D261 PolarHBondContact O-N 3.14Å; R259-N262 PolarHBondContact NH2-ND2 3.43Å; R259-N262 VanDerWaalsContact NH2-ND2 3.18Å; R259-N262 PolarHBondContact NH2-OD1 2.88Å
260D66Low65.5Low70 Ų7072.4 Ų72.437%0.37439%0.389SS..PPolyproline II helixtrans-64.1132.5164.4-67.8-29.8000108.2A234 T287A234-D260 HydrophobicContact CB-CB 3.47Å; A234-D260 VanDerWaalsContact CB-CB 3.47Å; D260-T287 HydrophobicContact CB-CG2 4.38Å
261D73.9Confident67.8Low106 Ų10664.7 Ų64.757%0.56735%0.35SS*.PPolyproline II helixtrans-59.5144.4178.3-66.8-37.1000110.3R259R259-D261 PolarHBondContact O-N 3.14Å
262N82.9Confident70.3Confident30 Ų3060.9 Ų60.916%0.1634%0.336CS..PPolyproline II helixtrans-68.1152168.4-51.6-44.5000108.1R259 Y264 M266 Q285R259-N262 PolarHBondContact NH2-ND2 3.43Å; R259-N262 VanDerWaalsContact NH2-ND2 3.18Å; R259-N262 PolarHBondContact NH2-OD1 2.88Å; N262-Y264 WeakPolarHBondContact CB-O 3.47Å; N262-Y264 PolarHBondContact O-N 3.39Å; N262-M266 VanDerWaalsContact CB-O 3.29Å; N262-M266 WeakPolarHBondContact CB-O 3.26Å; N262-M266 VanDerWaalsContact CG-O 3.25Å; N262-M266 PolarHBondContact ND2-O 2.94Å; N262-M266 VanDerWaalsContact ND2-O 3.11Å; N262-Q285 PolarHBondContact O-OE1 2.85Å
263L86.4Confident72.6Confident18 Ų1857.6 Ų57.69%0.09432%0.318CS..SBendtrans-57.8-38177.1174.560.2000112.2N269 D272 I283 L293L263-N269 WeakPolarHBondContact CB-O 3.31Å; L263-N269 PolarHBondContact N-O 3.45Å; L263-D272 HydrophobicContact CD2-CB 3.78Å; L263-I283 HydrophobicContact CD1-CG2 4.35Å; L263-I283 HydrophobicContact CD2-CG2 4.29Å; L263-I283 WeakPolarHBondContact CD2-O 3.39Å; L263-L293 HydrophobicContact CD1-CD2 3.49Å; L263-L293 VanDerWaalsContact CD1-CD2 3.49Å
264Y85.6Confident74.7Confident12 Ų1255.8 Ų55.85%0.04731%0.306CS..SBendtrans-123.4178.3176.2-52.8-53.1000110.6N262 M266 D272 C320 N321 M322N262-Y264 WeakPolarHBondContact CB-O 3.47Å; N262-Y264 PolarHBondContact O-N 3.39Å; Y264-M266 PolarHBondContact O-N 2.81Å; Y264-D272 HydrophobicContact CE2-CB 4.15Å; Y264-D272 WeakPolarHBondContact CE2-OD2 3.17Å; Y264-D272 PolarHBondContact OH-OD2 3.45Å; Y264-C320 WeakPolarHBondContact CB-O 3.39Å; Y264-C320 VanDerWaalsContact CG-O 3.29Å; Y264-N321 WeakPolarHBondContact CE2-ND2 3.26Å; Y264-M322 HydrophobicContact CE1-CB 4.35Å; Y264-M322 HydrophobicContact CE1-CG 3.9Å; Y264-M322 HydrophobicContact CE1-SD 4.27Å; Y264-M322 WeakPolarHBondContact OH-CB 3.44Å; Y264-M322 PolarHBondContact OH-N 2.95Å
265G76.1Confident76.8Confident84 Ų8450.4 Ų50.487%0.86628%0.277SS*.SBendtrans-63.50.3173.500000115.5
266M77.1Confident79.1Confident35 Ų3540.6 Ų40.617%0.17224%0.24CC..SBendtrans-92.6139.7-178.9-172.8177.3-64.400112.2V141 F164 T196 N262 Y264 N269 T368V141-M266 HydrophobicContact CG1-SD 4.19Å; F164-M266 HydrophobicContact CD1-CG 4.27Å; F164-M266 HydrophobicContact CD1-SD 4.42Å; F164-M266 HydrophobicContact CE1-CG 3.71Å; F164-M266 HydrophobicContact CE1-SD 4.05Å; T196-M266 HydrophobicContact CG2-SD 4.16Å; N262-M266 VanDerWaalsContact CB-O 3.29Å; N262-M266 WeakPolarHBondContact CB-O 3.26Å; N262-M266 VanDerWaalsContact CG-O 3.25Å; N262-M266 PolarHBondContact ND2-O 2.94Å; N262-M266 VanDerWaalsContact ND2-O 3.11Å; Y264-M266 PolarHBondContact O-N 2.81Å; M266-N269 HydrophobicContact CB-CB 4.37Å; M266-T368 VanDerWaalsContact CE-CB 3.42Å; M266-T368 HydrophobicContact CE-CG2 3.72Å
267E73.1Confident81.4Confident95 Ų9540.7 Ų40.744%0.44424%0.238SC..THydrogen-bonded Turntrans-61.5145.5173.2-57.7-165.9157.500112.3F164 N269F164-E267 HydrophobicContact CD1-CB 4.36Å; F164-E267 VanDerWaalsContact CD1-O 3.3Å; F164-E267 WeakPolarHBondContact CD1-O 3.25Å; F164-E267 HydrophobicContact CE1-CB 4.32Å; E267-N269 PolarHBondContact O-N 2.84Å
268H73.4Confident83.7Confident7 Ų736.5 Ų36.53%0.03221%0.205CC..THydrogen-bonded Turntrans66.20.9172.5-67.6-84.8000116.9F164 T194 G195 Y210 R236 F270F164-H268 HydrophobicContact CB-CB 3.97Å; T194-H268 PolarHBondContact OG1-O 2.75Å; G195-H268 WeakPolarHBondContact CA-O 3.02Å; G195-H268 PolarHBondContact N-O 3.46Å; Y210-H268 AromaticContact CE2-CE1 3.7Å; Y210-H268 AromaticContact CE2-ND1 3.61Å; R236-H268 VanDerWaalsContact CD-CE1 3.47Å; R236-H268 WeakPolarHBondContact CD-CE1 3.41Å; R236-H268 PolarHBondContact NH1-CE1 3.2Å; R236-H268 VanDerWaalsContact NH1-CE1 3.3Å; R236-H268 PolarHBondContact NH1-NE2 3.5Å; H268-F270 PolarHBondContact O-N 2.91Å
269N85.8Confident85.7Confident0 Ų031.7 Ų31.70%018%0.178CC..  trans-92.994.7175.6-160-15.6000110.1T196 L263 M266 E267 A271T196-N269 PolarHBondContact OG1-ND2 2.91Å; L263-N269 WeakPolarHBondContact CB-O 3.31Å; L263-N269 PolarHBondContact N-O 3.45Å; M266-N269 HydrophobicContact CB-CB 4.37Å; E267-N269 PolarHBondContact O-N 2.84Å; N269-A271 PolarHBondContact OD1-O 2.98Å
270F91.5Very high87.5Confident6 Ų627.1 Ų27.13%0.02616%0.161CC..  trans-106.4-25-178.9-62.5-76.6000113.3L233 A234 R236 H268 Y284L233-F270 HydrophobicContact CD1-CB 4.35Å; A234-F270 HydrophobicContact CB-CD1 3.69Å; A234-F270 HydrophobicContact CB-CE1 4.36Å; A234-F270 HydrophobicContact CB-CG 4.46Å; A234-F270 WeakPolarHBondContact O-CB 3.36Å; R236-F270 HydrophobicContact CB-CE2 3.84Å; R236-F270 HydrophobicContact CB-CZ 3.83Å; H268-F270 PolarHBondContact O-N 2.91Å; F270-Y284 VanDerWaalsContact O-CB 3.22Å; F270-Y284 WeakPolarHBondContact O-CB 3.33Å
271A94.7Very high89Confident2 Ų223.9 Ų23.92%0.01714%0.144CC..EExtended strand (participates in β ladder)trans-139.7138.2176.400000109.9H208 L233 N269 V282 I283H208-A271 HydrophobicContact CB-CB 4.12Å; L233-A271 HydrophobicContact CD1-CB 3.9Å; L233-A271 HydrophobicContact CD2-CB 4.37Å; N269-A271 PolarHBondContact OD1-O 2.98Å; A271-V282 HydrophobicContact CB-CG2 4.06Å; A271-I283 CarbonylContact C-O 3.52Å; A271-I283 WeakPolarHBondContact CA-O 3.27Å
272D96.3Very high90.1Very high0 Ų018.9 Ų18.90%012%0.117CC..EExtended strand (participates in β ladder)trans-120.6116.7176.9-158.2-13.1000109.6G197 L263 Y264 V282 I283G197-D272 WeakPolarHBondContact CA-OD1 3.37Å; L263-D272 HydrophobicContact CD2-CB 3.78Å; Y264-D272 HydrophobicContact CE2-CB 4.15Å; Y264-D272 WeakPolarHBondContact CE2-OD2 3.17Å; Y264-D272 PolarHBondContact OH-OD2 3.45Å; D272-V282 WeakPolarHBondContact O-CA 3.46Å; D272-I283 HydrophobicContact CB-CB 4.43Å; D272-I283 PolarHBondContact N-O 2.75Å; D272-I283 PolarHBondContact O-N 3.31Å
273F97.8Very high90.8Very high0 Ų017.4 Ų17.40%011%0.109CC..EExtended strand (participates in β ladder)trans-83.3134.1176.2-67.3-101.2000108.7G197 V199 F206 H208 M215 L280 W281 V282 N371G197-F273 VanDerWaalsContact O-CB 3.28Å; G197-F273 WeakPolarHBondContact O-CB 3.42Å; G197-F273 VanDerWaalsContact O-CD2 3.26Å; G197-F273 WeakPolarHBondContact O-CD2 3.2Å; G197-F273 PolarHBondContact O-N 3.04Å; V199-F273 HydrophobicContact CB-CB 4.44Å; V199-F273 HydrophobicContact CG1-CB 4.09Å; V199-F273 WeakPolarHBondContact CG1-O 3.25Å; V199-F273 HydrophobicContact CG2-CB 3.64Å; F206-F273 HydrophobicContact CB-CD1 4.01Å; F206-F273 HydrophobicContact CB-CE1 4.26Å; F206-F273 HydrophobicContact CB-CG 4.44Å; H208-F273 HydrophobicContact CB-CE2 4.26Å; M215-F273 HydrophobicContact CB-CE1 3.95Å; M215-F273 HydrophobicContact CB-CZ 3.57Å; M215-F273 HydrophobicContact SD-CE1 4.38Å; F273-L280 HydrophobicContact CD1-CD1 4.46Å; F273-W281 CarbonylContact C-O 3.57Å; F273-W281 WeakPolarHBondContact CA-O 3.4Å; F273-V282 HydrophobicContact CD1-CB 4.16Å; F273-V282 HydrophobicContact CD1-CG2 4.21Å; F273-V282 HydrophobicContact CD2-CG2 4.41Å; F273-V282 HydrophobicContact CE1-CB 4.21Å; F273-V282 HydrophobicContact CE1-CG2 4.09Å; F273-V282 HydrophobicContact CE2-CG2 4.26Å; F273-V282 HydrophobicContact CG-CG2 4.38Å; F273-V282 HydrophobicContact CZ-CG2 4.11Å; F273-N371 PolarHBondContact O-ND2 3.47Å
274A98.2Very high91.2Very high1 Ų116.9 Ų16.91%0.00811%0.106CC..EExtended strand (participates in β ladder)trans-126148.7-179.400000110.2W281 I283 I324A274-W281 HydrophobicContact CB-CB 4.28Å; A274-W281 PolarHBondContact N-O 3.47Å; A274-W281 PolarHBondContact O-N 2.92Å; A274-I283 HydrophobicContact CB-CD1 4.12Å; A274-I324 HydrophobicContact CB-CB 4.07Å; A274-I324 HydrophobicContact CB-CD1 4.08Å; A274-I324 HydrophobicContact CB-CG1 4.15Å
275T97.5Very high91.5Very high3 Ų318.2 Ų18.22%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-124.1137.2176.559.50000109.7A148 V199 Y201 G279 L280 Y372A148-T275 HydrophobicContact CB-CG2 3.79Å; A148-T275 WeakPolarHBondContact CB-OG1 3.24Å; V199-T275 HydrophobicContact CB-CG2 4.25Å; V199-T275 HydrophobicContact CG1-CG2 4.48Å; V199-T275 HydrophobicContact CG2-CG2 4.03Å; Y201-T275 HydrophobicContact CD2-CG2 3.66Å; Y201-T275 HydrophobicContact CE2-CG2 4.43Å; T275-G279 WeakPolarHBondContact CA-O 3.45Å; T275-L280 HydrophobicContact CG2-CD1 3.96Å; T275-Y372 WeakPolarHBondContact O-CD1 3.34Å; T275-Y372 PolarHBondContact OG1-O 2Å
276D97.2Very high92.2Very high2 Ų214.6 Ų14.61%0.0117%0.073CC..EExtended strand (participates in β ladder)trans-142.8-172.817481.8-24.5000110.3N278 G279 W281 I324 C326 G327 Y372D276-N278 PolarHBondContact O-N 2.57Å; D276-N278 VanDerWaalsContact O-N 3.14Å; D276-N278 VanDerWaalsContact OD1-CA 3.31Å; D276-N278 WeakPolarHBondContact OD1-CA 3.42Å; D276-N278 WeakPolarHBondContact OD1-CB 3.1Å; D276-N278 PolarHBondContact OD1-N 2.79Å; D276-N278 PolarHBondContact OD2-ND2 3.01Å; D276-G279 PolarHBondContact N-O 2.82Å; D276-G279 PolarHBondContact O-N 3.13Å; D276-G279 VanDerWaalsContact O-N 3.14Å; D276-G279 PolarHBondContact OD1-N 2.9Å; D276-W281 VanDerWaalsContact CG-NE1 3.35Å; D276-W281 PolarHBondContact OD1-NE1 2.83Å; D276-I324 HydrophobicContact CB-CG2 4.09Å; D276-C326 PolarHBondContact OD2-N 3.33Å; D276-G327 PolarHBondContact OD2-N 2.81Å; D276-Y372 HydrophobicContact CB-CD1 4.38Å
277E95.4Very high92.8Very high47 Ų4715.3 Ų15.322%0.228%0.08CC..THydrogen-bonded Turntrans-59.5-20.9177.2-6676.8-171.900113.3I120 C326 Y372 P374I120-E277 HydrophobicContact CB-CB 3.81Å; I120-E277 HydrophobicContact CD1-CB 4.03Å; I120-E277 HydrophobicContact CG1-CB 4.49Å; I120-E277 HydrophobicContact CG2-CB 3.87Å; I120-E277 HydrophobicContact CG2-CG 4.04Å; E277-C326 WeakPolarHBondContact OE2-CA 3.41Å; E277-C326 PolarHBondContact OE2-N 2.91Å; E277-C326 PolarHBondContact OE2-SG 3.31Å; E277-C326 VanDerWaalsContact OE2-SG 3.33Å; E277-Y372 VanDerWaalsContact OE1-CE1 3.28Å; E277-Y372 WeakPolarHBondContact OE1-CE1 3.28Å; E277-Y372 PolarHBondContact OE1-OH 3.31Å; E277-P374 HydrophobicContact CG-CB 4.24Å
278N95.1Very high93.6Very high40 Ų4018.6 Ų18.621%0.2149%0.093CC..THydrogen-bonded Turntrans-97.9-5.6-178.2-56.8-63000113.1A119 I120 D276 W281 G327 Y349A119-N278 WeakPolarHBondContact CA-OD1 3.33Å; I120-N278 PolarHBondContact N-OD1 2.82Å; I120-N278 PolarHBondContact O-ND2 2.88Å; I120-N278 VanDerWaalsContact O-ND2 3.12Å; D276-N278 PolarHBondContact O-N 2.57Å; D276-N278 VanDerWaalsContact O-N 3.14Å; D276-N278 VanDerWaalsContact OD1-CA 3.31Å; D276-N278 WeakPolarHBondContact OD1-CA 3.42Å; D276-N278 WeakPolarHBondContact OD1-CB 3.1Å; D276-N278 PolarHBondContact OD1-N 2.79Å; D276-N278 PolarHBondContact OD2-ND2 3.01Å; N278-W281 HydrophobicContact CB-CZ2 4.14Å; N278-G327 PolarHBondContact ND2-N 3.19Å; N278-Y349 WeakPolarHBondContact CB-OH 3.4Å
279G95.4Very high94.3Very high10 Ų1021.7 Ų21.710%0.10311%0.11CC..EExtended strand (participates in β ladder)trans125.1-142170.900000114.2T275 D276T275-G279 WeakPolarHBondContact CA-O 3.45Å; D276-G279 PolarHBondContact N-O 2.82Å; D276-G279 PolarHBondContact O-N 3.13Å; D276-G279 VanDerWaalsContact O-N 3.14Å; D276-G279 PolarHBondContact OD1-N 2.9Å
280L97.6Very high94.3Very high2 Ų228.1 Ų28.11%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-99.5134-176.6-177.967.1000110.9V199 F206 F273 T275 S297 I298 V300V199-L280 HydrophobicContact CG2-CD1 3.71Å; F206-L280 HydrophobicContact CB-CD2 4.46Å; F206-L280 HydrophobicContact CD1-CD2 3.57Å; F206-L280 HydrophobicContact CD2-CD2 4.03Å; F206-L280 HydrophobicContact CE1-CD2 3.68Å; F206-L280 HydrophobicContact CE2-CD2 4.15Å; F206-L280 HydrophobicContact CG-CD2 3.76Å; F206-L280 HydrophobicContact CZ-CD2 4Å; F273-L280 HydrophobicContact CD1-CD1 4.46Å; T275-L280 HydrophobicContact CG2-CD1 3.96Å; L280-S297 WeakPolarHBondContact O-CA 3.32Å; L280-I298 HydrophobicContact CD2-CB 4.2Å; L280-I298 HydrophobicContact CD2-CG2 4.31Å; L280-I298 HydrophobicContact CG-CB 4.34Å; L280-I298 PolarHBondContact O-N 2.85Å; L280-V300 HydrophobicContact CB-CG2 4.09Å; L280-V300 HydrophobicContact CD2-CG2 4.28Å
281W98.1Very high94Very high2 Ų229.6 Ų29.61%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-127.8159.2178.5-57.284.7000110.8F273 A274 D276 N278 I295 A296 I324 L348F273-W281 CarbonylContact C-O 3.57Å; F273-W281 WeakPolarHBondContact CA-O 3.4Å; A274-W281 HydrophobicContact CB-CB 4.28Å; A274-W281 PolarHBondContact N-O 3.47Å; A274-W281 PolarHBondContact O-N 2.92Å; D276-W281 VanDerWaalsContact CG-NE1 3.35Å; D276-W281 PolarHBondContact OD1-NE1 2.83Å; N278-W281 HydrophobicContact CB-CZ2 4.14Å; W281-I295 HydrophobicContact CE3-CG2 3.82Å; W281-I295 HydrophobicContact CZ3-CG2 4.29Å; W281-A296 CarbonylContact C-O 3.42Å; W281-A296 VanDerWaalsContact CA-O 3.25Å; W281-A296 WeakPolarHBondContact CA-O 3.4Å; W281-I324 HydrophobicContact CB-CD1 3.58Å; W281-I324 HydrophobicContact CD2-CD1 4.1Å; W281-I324 HydrophobicContact CE3-CD1 4.43Å; W281-I324 HydrophobicContact CG-CD1 3.73Å; W281-L348 HydrophobicContact CE3-CD1 4.2Å; W281-L348 HydrophobicContact CH2-CD1 4.18Å; W281-L348 HydrophobicContact CZ3-CD1 3.98Å
282V97.9Very high93.9Very high0 Ų030.2 Ų30.20%016%0.164CC..EExtended strand (participates in β ladder)trans-132.1135.4166.865.70000109.7L230 A271 D272 F273 Y284 I295 A296 I298L230-V282 HydrophobicContact CD1-CG1 4.05Å; L230-V282 HydrophobicContact CD1-CG2 4.02Å; L230-V282 HydrophobicContact CD2-CG1 4.31Å; A271-V282 HydrophobicContact CB-CG2 4.06Å; D272-V282 WeakPolarHBondContact O-CA 3.46Å; F273-V282 HydrophobicContact CD1-CB 4.16Å; F273-V282 HydrophobicContact CD1-CG2 4.21Å; F273-V282 HydrophobicContact CD2-CG2 4.41Å; F273-V282 HydrophobicContact CE1-CB 4.21Å; F273-V282 HydrophobicContact CE1-CG2 4.09Å; F273-V282 HydrophobicContact CE2-CG2 4.26Å; F273-V282 HydrophobicContact CG-CG2 4.38Å; F273-V282 HydrophobicContact CZ-CG2 4.11Å; V282-Y284 HydrophobicContact CG1-CD1 4.18Å; V282-Y284 HydrophobicContact CG1-CE1 3.99Å; V282-Y284 HydrophobicContact CG2-CD1 4.1Å; V282-I295 WeakPolarHBondContact O-CA 3.38Å; V282-A296 HydrophobicContact CG1-CB 3.84Å; V282-A296 PolarHBondContact N-O 2.68Å; V282-A296 PolarHBondContact O-N 3.24Å; V282-I298 HydrophobicContact CG1-CD1 3.96Å; V282-I298 HydrophobicContact CG1-CG1 4.08Å
283I97Very high93.8Very high0 Ų030.5 Ų30.50%017%0.166CC..EExtended strand (participates in β ladder)trans-114.4128.4179.8-52.4161.9000106.9L263 A271 D272 A274 L293 M322 I324 L329L263-I283 HydrophobicContact CD1-CG2 4.35Å; L263-I283 HydrophobicContact CD2-CG2 4.29Å; L263-I283 WeakPolarHBondContact CD2-O 3.39Å; A271-I283 CarbonylContact C-O 3.52Å; A271-I283 WeakPolarHBondContact CA-O 3.27Å; D272-I283 HydrophobicContact CB-CB 4.43Å; D272-I283 PolarHBondContact N-O 2.75Å; D272-I283 PolarHBondContact O-N 3.31Å; A274-I283 HydrophobicContact CB-CD1 4.12Å; I283-L293 HydrophobicContact CG2-CD1 4.29Å; I283-M322 HydrophobicContact CD1-CB 4.22Å; I283-M322 HydrophobicContact CG2-SD 4.18Å; I283-I324 HydrophobicContact CD1-CD1 4.06Å; I283-I324 HydrophobicContact CD1-CG1 4.16Å; I283-I324 HydrophobicContact CG1-CD1 3.98Å; I283-L329 HydrophobicContact CD1-CD1 3.62Å; I283-L329 HydrophobicContact CG1-CD1 4.19Å
284Y95Very high93.7Very high7 Ų730.6 Ų30.63%0.02717%0.167CC..EExtended strand (participates in β ladder)trans-156.5160.517557.9-86.1000111.6L230 A231 L233 F270 V282 L293 T294L230-Y284 HydrophobicContact CD1-CE1 4.33Å; A231-Y284 VanDerWaalsContact O-CE2 3.26Å; A231-Y284 WeakPolarHBondContact O-CE2 3.44Å; A231-Y284 PolarHBondContact O-OH 2.82Å; L233-Y284 HydrophobicContact CB-CD2 4.02Å; L233-Y284 HydrophobicContact CB-CE2 4.04Å; L233-Y284 HydrophobicContact CD1-CD2 3.78Å; L233-Y284 HydrophobicContact CD1-CG 3.72Å; F270-Y284 VanDerWaalsContact O-CB 3.22Å; F270-Y284 WeakPolarHBondContact O-CB 3.33Å; V282-Y284 HydrophobicContact CG1-CD1 4.18Å; V282-Y284 HydrophobicContact CG1-CE1 3.99Å; V282-Y284 HydrophobicContact CG2-CD1 4.1Å; Y284-L293 CarbonylContact O-C 3.53Å; Y284-L293 WeakPolarHBondContact O-CA 3.09Å; Y284-T294 HydrophobicContact CE1-CG2 3.82Å; Y284-T294 HydrophobicContact CE2-CG2 3.98Å; Y284-T294 VanDerWaalsContact CZ-CG2 3.44Å; Y284-T294 PolarHBondContact N-O 3.16Å; Y284-T294 PolarHBondContact O-N 2.83Å; Y284-T294 WeakPolarHBondContact OH-CG2 3.45Å
285Q91.5Very high93.7Very high40 Ų4030.6 Ų30.619%0.18717%0.166CC..EExtended strand (participates in β ladder)trans-74.4134.3175.2-176168.1-9.600110.4N262 T287 L293N262-Q285 PolarHBondContact O-OE1 2.85Å; Q285-T287 PolarHBondContact O-N 3.11Å; Q285-L293 HydrophobicContact CB-CD2 4.3Å
286N91.5Very high93.7Very high8 Ų830.4 Ų30.44%0.04317%0.165CC..BIsolated β-bridgetrans-81.1118.7178-166-66000110.5F288 N289 T292 T294 L310N286-F288 VanDerWaalsContact C-N 3.31Å; N286-F288 PolarHBondContact O-N 3.29Å; N286-F288 WeakPolarHBondContact OD1-CA 3.43Å; N286-F288 WeakPolarHBondContact OD1-CB 3.48Å; N286-F288 PolarHBondContact OD1-N 3.2Å; N286-N289 PolarHBondContact OD1-N 2.95Å; N286-T292 WeakPolarHBondContact CB-O 3.26Å; N286-T292 WeakPolarHBondContact CB-OG1 3.16Å; N286-T292 PolarHBondContact N-O 2.85Å; N286-T294 WeakPolarHBondContact CB-OG1 3.47Å; N286-T294 PolarHBondContact ND2-OG1 2.95Å; N286-L310 HydrophobicContact CB-CD2 4.35Å; N286-L310 VanDerWaalsContact ND2-CD2 3.28Å; N286-L310 WeakPolarHBondContact ND2-CD2 3.22Å
287T89Confident93.7Very high50 Ų5031 Ų3131%0.30717%0.17SC..SBendtrans-79.7-9.8179.359.20000114.4H232 A234 D260 Q285H232-T287 WeakPolarHBondContact CA-OG1 3.48Å; H232-T287 PolarHBondContact O-N 3.27Å; H232-T287 PolarHBondContact O-OG1 3.3Å; H232-T287 VanDerWaalsContact O-OG1 3.09Å; A234-T287 HydrophobicContact CB-CG2 3.71Å; D260-T287 HydrophobicContact CB-CG2 4.38Å; Q285-T287 PolarHBondContact O-N 3.11Å
288F89.5Confident93.8Very high163 Ų16329 Ų2972%0.71516%0.16SC*.SBendtrans-95-37.6177.7-179.2-98.9000112.5H232 N286H232-F288 HydrophobicContact CB-CB 4.24Å; H232-F288 WeakPolarHBondContact ND1-CB 2.99Å; N286-F288 VanDerWaalsContact C-N 3.31Å; N286-F288 PolarHBondContact O-N 3.29Å; N286-F288 WeakPolarHBondContact OD1-CA 3.43Å; N286-F288 WeakPolarHBondContact OD1-CB 3.48Å; N286-F288 PolarHBondContact OD1-N 3.2Å
289N88.8Confident93.8Very high73 Ų7329.4 Ų29.439%0.3916%0.162SC..SBendtrans-11689.4178.3-168.96.5000110.5N286 T292N286-N289 PolarHBondContact OD1-N 2.95Å; N289-T292 HydrophobicContact CB-CG2 4.45Å; N289-T292 PolarHBondContact O-N 3.46Å; N289-T292 PolarHBondContact O-OG1 3.43Å
290N85.1Confident93.7Very high135 Ų13530.2 Ų30.272%0.72217%0.166SC*.THydrogen-bonded Turntrans-54.4139.4-176.4-69-3000112.2T292N290-T292 VanDerWaalsContact C-N 3.31Å
291G86.3Confident93.5Very high37 Ų3737.5 Ų37.538%0.38120%0.199SC..THydrogen-bonded Turntrans77.813.5-178.300000114.2M313G291-M313 WeakPolarHBondContact O-CB 3.33Å; G291-M313 PolarHBondContact O-N 2.97Å
292T91.9Very high93.3Very high14 Ų1440.4 Ų40.49%0.08622%0.22CC..EExtended strand (participates in β ladder)trans-121.4147172.970.30000111.7N286 N289 N290 V311N286-T292 WeakPolarHBondContact CB-O 3.26Å; N286-T292 WeakPolarHBondContact CB-OG1 3.16Å; N286-T292 PolarHBondContact N-O 2.85Å; N289-T292 HydrophobicContact CB-CG2 4.45Å; N289-T292 PolarHBondContact O-N 3.46Å; N289-T292 PolarHBondContact O-OG1 3.43Å; N290-T292 VanDerWaalsContact C-N 3.31Å; T292-V311 CarbonylContact C-O 3.6Å; T292-V311 WeakPolarHBondContact CA-O 3.03Å
293L94.2Very high93.2Very high7 Ų740.6 Ų40.64%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-95.2143.4167.1-61.1-176.6000109.6L263 I283 Y284 Q285 I295 L310 V311 M313 M322L263-L293 HydrophobicContact CD1-CD2 3.49Å; L263-L293 VanDerWaalsContact CD1-CD2 3.49Å; I283-L293 HydrophobicContact CG2-CD1 4.29Å; Y284-L293 CarbonylContact O-C 3.53Å; Y284-L293 WeakPolarHBondContact O-CA 3.09Å; Q285-L293 HydrophobicContact CB-CD2 4.3Å; L293-I295 HydrophobicContact CB-CD1 3.6Å; L293-L310 CarbonylContact O-C 3.59Å; L293-L310 WeakPolarHBondContact O-CA 3.35Å; L293-V311 HydrophobicContact CB-CB 4.49Å; L293-V311 PolarHBondContact N-O 3.24Å; L293-V311 PolarHBondContact O-N 3.08Å; L293-M313 HydrophobicContact CB-CE 4.44Å; L293-M313 HydrophobicContact CD1-CE 3.44Å; L293-M313 VanDerWaalsContact CD1-CE 3.44Å; L293-M313 HydrophobicContact CD1-CG 4.4Å; L293-M313 HydrophobicContact CD1-SD 3.53Å; L293-M313 VanDerWaalsContact CD1-SD 3.53Å; L293-M313 HydrophobicContact CD2-CG 4.35Å; L293-M313 HydrophobicContact CD2-SD 4.39Å; L293-M313 HydrophobicContact CG-CE 3.69Å; L293-M313 HydrophobicContact CG-CG 3.87Å; L293-M313 HydrophobicContact CG-SD 3.69Å; L293-M322 HydrophobicContact CD1-CE 3.44Å; L293-M322 VanDerWaalsContact CD1-CE 3.44Å; L293-M322 HydrophobicContact CD1-SD 3.51Å; L293-M322 VanDerWaalsContact CD1-SD 3.51Å
294T96.3Very high93.1Very high2 Ų243.1 Ų43.11%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-96.7123.9165.7-54.30000108.8Y284 N286 S308 I309 L310Y284-T294 HydrophobicContact CE1-CG2 3.82Å; Y284-T294 HydrophobicContact CE2-CG2 3.98Å; Y284-T294 VanDerWaalsContact CZ-CG2 3.44Å; Y284-T294 PolarHBondContact N-O 3.16Å; Y284-T294 PolarHBondContact O-N 2.83Å; Y284-T294 WeakPolarHBondContact OH-CG2 3.45Å; N286-T294 WeakPolarHBondContact CB-OG1 3.47Å; N286-T294 PolarHBondContact ND2-OG1 2.95Å; T294-S308 WeakPolarHBondContact CG2-OG 3.33Å; T294-I309 WeakPolarHBondContact CA-O 3.34Å; T294-L310 WeakPolarHBondContact OG1-CD2 3.23Å
295I97.4Very high93.1Very high0 Ų045.9 Ų45.90%025%0.254CS..EExtended strand (participates in β ladder)trans-114.2115.7173.5-62.762000106.1W281 V282 L293 S308 I309 V311 I324 L329 L348W281-I295 HydrophobicContact CE3-CG2 3.82Å; W281-I295 HydrophobicContact CZ3-CG2 4.29Å; V282-I295 WeakPolarHBondContact O-CA 3.38Å; L293-I295 HydrophobicContact CB-CD1 3.6Å; I295-S308 WeakPolarHBondContact O-CA 3.35Å; I295-I309 PolarHBondContact N-O 3.16Å; I295-I309 PolarHBondContact O-N 3.12Å; I295-V311 HydrophobicContact CD1-CB 3.7Å; I295-V311 HydrophobicContact CD1-CG2 3.39Å; I295-V311 HydrophobicContact CG1-CG2 4.12Å; I295-I324 HydrophobicContact CG2-CD1 3.84Å; I295-L329 HydrophobicContact CD1-CD2 4.03Å; I295-L329 HydrophobicContact CG1-CD2 3.93Å; I295-L348 HydrophobicContact CB-CD2 4.06Å; I295-L348 HydrophobicContact CG1-CD2 4.11Å; I295-L348 HydrophobicContact CG2-CD1 3.87Å; I295-L348 HydrophobicContact CG2-CD2 3.78Å; I295-L348 HydrophobicContact CG2-CG 4.5Å
296A97.3Very high93.3Very high0 Ų049.3 Ų49.30%027%0.273CS..EExtended strand (participates in β ladder)trans-122.5129.4-176.100000111.4W281 V282 I298 V305 R307W281-A296 CarbonylContact C-O 3.42Å; W281-A296 VanDerWaalsContact CA-O 3.25Å; W281-A296 WeakPolarHBondContact CA-O 3.4Å; V282-A296 HydrophobicContact CG1-CB 3.84Å; V282-A296 PolarHBondContact N-O 2.68Å; V282-A296 PolarHBondContact O-N 3.24Å; A296-I298 HydrophobicContact CB-CD1 4.23Å; A296-V305 HydrophobicContact CB-CG1 3.86Å; A296-V305 HydrophobicContact CB-CG2 4.42Å; A296-R307 CarbonylContact C-O 3.55Å; A296-R307 WeakPolarHBondContact CA-O 3.29Å
297S96.8Very high93.4Very high14 Ų1452.6 Ų52.610%0.09829%0.285CS..EExtended strand (participates in β ladder)trans-82.9134.8169.1177.60000109.2L280 V305 L306 R307L280-S297 WeakPolarHBondContact O-CA 3.32Å; S297-V305 CarbonylContact O-C 3.57Å; S297-V305 WeakPolarHBondContact O-CA 3.33Å; S297-L306 PolarHBondContact O-N 3.03Å; S297-R307 PolarHBondContact N-O 3.42Å
298I97.2Very high93.6Very high4 Ų453.4 Ų53.42%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-117.5130.6-171.2-53.8-57.4000110.3M215 L230 L280 V282 A296 V300 V305M215-I298 HydrophobicContact CE-CD1 4.01Å; M215-I298 HydrophobicContact CE-CG2 3.82Å; M215-I298 HydrophobicContact SD-CD1 4.15Å; M215-I298 HydrophobicContact SD-CG1 4.27Å; M215-I298 HydrophobicContact SD-CG2 3.99Å; L230-I298 HydrophobicContact CD2-CD1 4.38Å; L280-I298 HydrophobicContact CD2-CB 4.2Å; L280-I298 HydrophobicContact CD2-CG2 4.31Å; L280-I298 HydrophobicContact CG-CB 4.34Å; L280-I298 PolarHBondContact O-N 2.85Å; V282-I298 HydrophobicContact CG1-CD1 3.96Å; V282-I298 HydrophobicContact CG1-CG1 4.08Å; A296-I298 HydrophobicContact CB-CD1 4.23Å; I298-V300 PolarHBondContact O-N 2.82Å; I298-V305 HydrophobicContact CD1-CB 4.46Å; I298-V305 HydrophobicContact CD1-CG2 3.77Å
299D96.1Very high93.9Very high49 Ų4946 Ų4626%0.26226%0.26SS..  trans-73.7120.6166.5-178.356.7000110.3E301 S302 L303 T304 L306D299-E301 VanDerWaalsContact C-N 3.3Å; D299-E301 PolarHBondContact O-N 2.78Å; D299-S302 WeakPolarHBondContact OD2-CA 3.33Å; D299-S302 WeakPolarHBondContact OD2-CB 3.22Å; D299-S302 PolarHBondContact OD2-N 2.94Å; D299-S302 PolarHBondContact OD2-OG 3.35Å; D299-L303 WeakPolarHBondContact O-CA 3.44Å; D299-L303 PolarHBondContact O-N 2.91Å; D299-T304 PolarHBondContact N-O 2.8Å; D299-L306 HydrophobicContact CB-CD1 4Å; D299-L306 HydrophobicContact CB-CD2 3.94Å; D299-L306 HydrophobicContact CB-CG 3.89Å
300V93.7Very high94.3Very high28 Ų2846.1 Ų46.117%0.1726%0.26CS..THydrogen-bonded Turntrans-68.6-31.6-173.6178.70000111.3Y201 F206 R226 L280 I298Y201-V300 HydrophobicContact CD1-CG1 4.1Å; Y201-V300 HydrophobicContact CD1-CG2 3.8Å; Y201-V300 HydrophobicContact CE1-CG1 4.43Å; Y201-V300 HydrophobicContact CE1-CG2 3.7Å; F206-V300 HydrophobicContact CE2-CG1 4.22Å; F206-V300 HydrophobicContact CZ-CB 4.47Å; F206-V300 HydrophobicContact CZ-CG1 3.7Å; R226-V300 PolarHBondContact NH2-O 3.36Å; R226-V300 VanDerWaalsContact NH2-O 3.14Å; L280-V300 HydrophobicContact CB-CG2 4.09Å; L280-V300 HydrophobicContact CD2-CG2 4.28Å; I298-V300 PolarHBondContact O-N 2.82Å
301E92Very high94.7Very high155 Ų15539.7 Ų39.772%0.72423%0.226SC*.THydrogen-bonded Turntrans-79.3-48-178.3-68.2-169-179.900112.5R226 D299R226-E301 PolarHBondContact NH1-O 3.43Å; R226-E301 PolarHBondContact NH2-O 3.14Å; D299-E301 VanDerWaalsContact C-N 3.3Å; D299-E301 PolarHBondContact O-N 2.78Å
302S94.2Very high95Very high62 Ų6240.6 Ų40.643%0.43423%0.225SC..THydrogen-bonded Turntrans-98.9-9.6-174.269.70000113.9D299 T304D299-S302 WeakPolarHBondContact OD2-CA 3.33Å; D299-S302 WeakPolarHBondContact OD2-CB 3.22Å; D299-S302 PolarHBondContact OD2-N 2.94Å; D299-S302 PolarHBondContact OD2-OG 3.35Å; S302-T304 PolarHBondContact O-N 2.87Å; S302-T304 WeakPolarHBondContact OG-CG2 3.41Å; S302-T304 PolarHBondContact OG-N 3.47Å; S302-T304 PolarHBondContact OG-OG1 2.87Å
303L95.3Very high94.8Very high5 Ų542.1 Ų42.13%0.02623%0.232CC..  trans57.127.6-171.6-56.2-174.7000112.8F206 M215 C217 R226 K228 D299F206-L303 HydrophobicContact CD1-CD2 4.47Å; F206-L303 HydrophobicContact CE1-CD2 3.65Å; M215-L303 HydrophobicContact CE-CB 3.96Å; M215-L303 WeakPolarHBondContact CE-O 3.34Å; C217-L303 HydrophobicContact CB-CD1 3.88Å; C217-L303 HydrophobicContact CB-CD2 3.78Å; C217-L303 HydrophobicContact CB-CG 4.42Å; R226-L303 HydrophobicContact CB-CD1 3.67Å; K228-L303 HydrophobicContact CB-CB 3.98Å; K228-L303 VanDerWaalsContact CG-O 3.29Å; K228-L303 WeakPolarHBondContact CG-O 3.41Å; D299-L303 WeakPolarHBondContact O-CA 3.44Å; D299-L303 PolarHBondContact O-N 2.91Å
304T96.3Very high93.8Very high53 Ų5349 Ų4933%0.32526%0.257SS..  trans-88.1146.5174.760.80000111.2D299 S302 L306D299-T304 PolarHBondContact N-O 2.8Å; S302-T304 PolarHBondContact O-N 2.87Å; S302-T304 WeakPolarHBondContact OG-CG2 3.41Å; S302-T304 PolarHBondContact OG-N 3.47Å; S302-T304 PolarHBondContact OG-OG1 2.87Å; T304-L306 PolarHBondContact O-N 3.15Å
305V95.4Very high91.8Very high64 Ų6457 Ų5739%0.38830%0.3SS..EExtended strand (participates in β ladder)trans-73.2116.6168.9176.70000108.4L230 A296 S297 I298 R307L230-V305 HydrophobicContact CD2-CG2 4.16Å; A296-V305 HydrophobicContact CB-CG1 3.86Å; A296-V305 HydrophobicContact CB-CG2 4.42Å; S297-V305 CarbonylContact O-C 3.57Å; S297-V305 WeakPolarHBondContact O-CA 3.33Å; I298-V305 HydrophobicContact CD1-CB 4.46Å; I298-V305 HydrophobicContact CD1-CG2 3.77Å; V305-R307 WeakPolarHBondContact CG1-O 3.45Å
306L94.2Very high89.8Confident112 Ų11260.8 Ų60.859%0.58634%0.339SS*.EExtended strand (participates in β ladder)trans-80.9-44.3178.5-66.7174.9000111.5S297 D299 T304S297-L306 PolarHBondContact O-N 3.03Å; D299-L306 HydrophobicContact CB-CD1 4Å; D299-L306 HydrophobicContact CB-CD2 3.94Å; D299-L306 HydrophobicContact CB-CG 3.89Å; T304-L306 PolarHBondContact O-N 3.15Å
307R93.5Very high88Confident78 Ų7867 Ų6729%0.29437%0.366SS..EExtended strand (participates in β ladder)trans-142.2144.6176.5-175.9175.9-179.1-177.3-1.7109A296 S297 V305 I309 L348 E351A296-R307 CarbonylContact C-O 3.55Å; A296-R307 WeakPolarHBondContact CA-O 3.29Å; S297-R307 PolarHBondContact N-O 3.42Å; V305-R307 WeakPolarHBondContact CG1-O 3.45Å; R307-I309 HydrophobicContact CG-CG1 4.29Å; R307-L348 PolarHBondContact NH2-O 2.64Å; R307-L348 VanDerWaalsContact NH2-O 3.16Å; R307-E351 IonicContact CZ-OE1 3.09Å; R307-E351 IonicContact NH2-OE1 2.96Å; R307-E351 PolarHBondContact NH2-OE1 3.18Å
308S95.1Very high86.9Confident67 Ų6773.6 Ų73.647%0.46940%0.399SS..EExtended strand (participates in β ladder)trans-136.8131.7174.7-178.30000109.4T294 I295T294-S308 WeakPolarHBondContact CG2-OG 3.33Å; I295-S308 WeakPolarHBondContact O-CA 3.35Å
309I95.5Very high86.6Confident8 Ų874.6 Ų74.64%0.04140%0.404CS..EExtended strand (participates in β ladder)trans-127.2143.1180-56.4155.2000108.6T294 I295 R307 V311 L348 E351T294-I309 WeakPolarHBondContact CA-O 3.34Å; I295-I309 PolarHBondContact N-O 3.16Å; I295-I309 PolarHBondContact O-N 3.12Å; R307-I309 HydrophobicContact CG-CG1 4.29Å; I309-V311 HydrophobicContact CG2-CG2 4.32Å; I309-L348 HydrophobicContact CD1-CB 4Å; I309-L348 HydrophobicContact CD1-CD2 4.38Å; I309-L348 WeakPolarHBondContact CD1-O 3.12Å; I309-E351 HydrophobicContact CG2-CG 4.2Å
310L95.4Very high86.4Confident75 Ų7574 Ų7439%0.39340%0.403SS..EExtended strand (participates in β ladder)trans-96.6113.7170.3-61.7-177.7000109.7N286 L293 T294N286-L310 HydrophobicContact CB-CD2 4.35Å; N286-L310 VanDerWaalsContact ND2-CD2 3.28Å; N286-L310 WeakPolarHBondContact ND2-CD2 3.22Å; L293-L310 CarbonylContact O-C 3.59Å; L293-L310 WeakPolarHBondContact O-CA 3.35Å; T294-L310 WeakPolarHBondContact OG1-CD2 3.23Å
311V94.8Very high86.4Confident0 Ų072.8 Ų72.80%040%0.396CS..EExtended strand (participates in β ladder)trans-98.7114.6177.9179.20000108.7T292 L293 I295 I309 M313 F344 Y346 L348T292-V311 CarbonylContact C-O 3.6Å; T292-V311 WeakPolarHBondContact CA-O 3.03Å; L293-V311 HydrophobicContact CB-CB 4.49Å; L293-V311 PolarHBondContact N-O 3.24Å; L293-V311 PolarHBondContact O-N 3.08Å; I295-V311 HydrophobicContact CD1-CB 3.7Å; I295-V311 HydrophobicContact CD1-CG2 3.39Å; I295-V311 HydrophobicContact CG1-CG2 4.12Å; I309-V311 HydrophobicContact CG2-CG2 4.32Å; V311-M313 HydrophobicContact CG1-CE 3.91Å; V311-M313 PolarHBondContact O-N 3.19Å; V311-F344 HydrophobicContact CG1-CZ 3.95Å; V311-Y346 HydrophobicContact CG1-CD1 4.06Å; V311-Y346 HydrophobicContact CG1-CD2 3.85Å; V311-Y346 HydrophobicContact CG1-CE1 4.33Å; V311-Y346 HydrophobicContact CG1-CE2 4.15Å; V311-Y346 HydrophobicContact CG1-CG 3.79Å; V311-Y346 HydrophobicContact CG2-CD1 3.66Å; V311-Y346 HydrophobicContact CG2-CE1 3.58Å; V311-Y346 HydrophobicContact CG2-CG 4.26Å; V311-L348 HydrophobicContact CG2-CD2 4.36Å
312P92.2Very high86.6Confident56 Ų5665.5 Ų65.536%0.36436%0.362SS..EExtended strand (participates in β ladder)trans-65.6136.5177.820.5-24.2000110.5Y353P312-Y353 WeakPolarHBondContact CG-OH 3.24Å; P312-Y353 PolarHBondContact O-OH 2.92Å
313M87.7Confident86.8Confident46 Ų4662.5 Ų62.523%0.22734%0.341CS..PPolyproline II helixtrans-85.5124.6169.5-67-68.192.900108.7G291 L293 V311 N315 I319 M322 F344G291-M313 WeakPolarHBondContact O-CB 3.33Å; G291-M313 PolarHBondContact O-N 2.97Å; L293-M313 HydrophobicContact CB-CE 4.44Å; L293-M313 HydrophobicContact CD1-CE 3.44Å; L293-M313 VanDerWaalsContact CD1-CE 3.44Å; L293-M313 HydrophobicContact CD1-CG 4.4Å; L293-M313 HydrophobicContact CD1-SD 3.53Å; L293-M313 VanDerWaalsContact CD1-SD 3.53Å; L293-M313 HydrophobicContact CD2-CG 4.35Å; L293-M313 HydrophobicContact CD2-SD 4.39Å; L293-M313 HydrophobicContact CG-CE 3.69Å; L293-M313 HydrophobicContact CG-CG 3.87Å; L293-M313 HydrophobicContact CG-SD 3.69Å; V311-M313 HydrophobicContact CG1-CE 3.91Å; V311-M313 PolarHBondContact O-N 3.19Å; M313-N315 PolarHBondContact O-N 3.09Å; M313-I319 HydrophobicContact SD-CD1 4Å; M313-M322 HydrophobicContact CE-CE 4.26Å; M313-M322 HydrophobicContact SD-CE 4.04Å; M313-F344 HydrophobicContact CE-CE1 4.34Å; M313-F344 HydrophobicContact CE-CE2 3.65Å; M313-F344 HydrophobicContact CE-CZ 3.41Å; M313-F344 VanDerWaalsContact CE-CZ 3.41Å
314R73Confident86.9Confident152 Ų15262.3 Ų62.357%0.57434%0.34SS*.PPolyproline II helixtrans-69.2117.7175.8-68.9-168.9-178.3-163.12.2109G316 K317 Y353R314-G316 PolarHBondContact O-N 3.02Å; R314-K317 PolarHBondContact O-N 2.87Å; R314-Y353 HydrophobicContact CG-CE1 4.3Å
315N55.1Low87Confident169 Ų16959.8 Ų59.890%0.90433%0.325SS*.THydrogen-bonded Turntrans-41.7108.5-178.1-70-9.8000112.4M313M313-N315 PolarHBondContact O-N 3.09Å
316G55.9Low87Confident79 Ų7956.8 Ų56.881%0.81431%0.307SS*.THydrogen-bonded Turntrans109-11.116600000117.3R314 L318R314-G316 PolarHBondContact O-N 3.02Å; G316-L318 PolarHBondContact O-N 2.83Å
317K58.6Low87Confident131 Ų13151.5 Ų51.557%0.5728%0.279SS*.  trans-84.1110.6172.4-78.2-165.1175-163.80110R314 I319 N343R314-K317 PolarHBondContact O-N 2.87Å; K317-I319 PolarHBondContact O-N 3.16Å; K317-N343 PolarHBondContact NZ-ND2 2.89Å
318L74.5Confident87.2Confident152 Ų15247.8 Ų47.880%0.79627%0.265SS*.  trans-65.1126167.7-67.8169.3000108.3G316G316-L318 PolarHBondContact O-N 2.83Å
319I89.4Confident87.3Confident25 Ų2544.6 Ų44.613%0.12824%0.242CC..  trans-110.8122.2171.5-59.8173.3000106.1M313 K317 N321 M322 L332 F344M313-I319 HydrophobicContact SD-CD1 4Å; K317-I319 PolarHBondContact O-N 3.16Å; I319-N321 VanDerWaalsContact CG2-O 3.31Å; I319-N321 WeakPolarHBondContact CG2-O 3.36Å; I319-M322 HydrophobicContact CB-CE 3.91Å; I319-M322 HydrophobicContact CD1-CE 3.2Å; I319-M322 HydrophobicContact CG1-CE 4.11Å; I319-M322 HydrophobicContact CG2-CE 3.53Å; I319-M322 HydrophobicContact CG2-CG 3.59Å; I319-M322 HydrophobicContact CG2-SD 4.38Å; I319-L332 CarbonylContact C-O 3.6Å; I319-F344 HydrophobicContact CD1-CB 3.98Å; I319-F344 HydrophobicContact CD1-CD1 4.16Å; I319-F344 HydrophobicContact CD1-CD2 3.51Å; I319-F344 HydrophobicContact CD1-CE2 4Å; I319-F344 HydrophobicContact CD1-CG 3.61Å
320C92Very high87.4Confident36 Ų3644.2 Ų44.224%0.24324%0.241CC..  trans-84.5-36.9-173.3-167.10000112.7Y264 L332 C335Y264-C320 WeakPolarHBondContact CB-O 3.39Å; Y264-C320 VanDerWaalsContact CG-O 3.29Å; C320-L332 PolarHBondContact N-O 2.93Å; C320-C335 HydrophobicContact CB-CB 4.1Å; C320-C335 WeakPolarHBondContact CB-SG 3.5Å; C320-C335 WeakPolarHBondContact SG-CB 3.44Å; C320-C335 PolarHBondContact SG-N 3.1Å; C320-C335 CovalentContact SG-SG 2Å; C320-C335 PolarHBondContact SG-SG 2.93Å
321N94.8Very high87.4Confident3 Ų340.6 Ų40.62%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-156.6165.6173-154.8-88.3000109.8Y264 I319 L332 L370Y264-N321 WeakPolarHBondContact CE2-ND2 3.26Å; I319-N321 VanDerWaalsContact CG2-O 3.31Å; I319-N321 WeakPolarHBondContact CG2-O 3.36Å; N321-L332 PolarHBondContact O-N 3.17Å; N321-L370 HydrophobicContact CB-CB 4.18Å; N321-L370 WeakPolarHBondContact OD1-CB 3.47Å; N321-L370 PolarHBondContact OD1-N 2.88Å; N321-L370 PolarHBondContact OD1-O 2.93Å
322M96.2Very high87.4Confident2 Ų240.6 Ų40.61%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-140.5158.5-179.8-63.2174.516400111.7Y264 I283 L293 M313 I319 L329 Y330 F344Y264-M322 HydrophobicContact CE1-CB 4.35Å; Y264-M322 HydrophobicContact CE1-CG 3.9Å; Y264-M322 HydrophobicContact CE1-SD 4.27Å; Y264-M322 WeakPolarHBondContact OH-CB 3.44Å; Y264-M322 PolarHBondContact OH-N 2.95Å; I283-M322 HydrophobicContact CD1-CB 4.22Å; I283-M322 HydrophobicContact CG2-SD 4.18Å; L293-M322 HydrophobicContact CD1-CE 3.44Å; L293-M322 VanDerWaalsContact CD1-CE 3.44Å; L293-M322 HydrophobicContact CD1-SD 3.51Å; L293-M322 VanDerWaalsContact CD1-SD 3.51Å; M313-M322 HydrophobicContact CE-CE 4.26Å; M313-M322 HydrophobicContact SD-CE 4.04Å; I319-M322 HydrophobicContact CB-CE 3.91Å; I319-M322 HydrophobicContact CD1-CE 3.2Å; I319-M322 HydrophobicContact CG1-CE 4.11Å; I319-M322 HydrophobicContact CG2-CE 3.53Å; I319-M322 HydrophobicContact CG2-CG 3.59Å; I319-M322 HydrophobicContact CG2-SD 4.38Å; M322-L329 HydrophobicContact CB-CD1 3.95Å; M322-L329 HydrophobicContact CG-CD1 4.46Å; M322-L329 HydrophobicContact SD-CD1 4.06Å; M322-L329 HydrophobicContact SD-CD2 4.12Å; M322-L329 HydrophobicContact SD-CG 4.35Å; M322-Y330 CarbonylContact C-O 3.56Å; M322-Y330 WeakPolarHBondContact CA-O 3.3Å; M322-Y330 VanDerWaalsContact CB-O 3.23Å; M322-Y330 WeakPolarHBondContact CB-O 3.25Å; M322-F344 HydrophobicContact CE-CD1 4.29Å; M322-F344 HydrophobicContact CE-CE1 4.19Å
323F97.6Very high87.5Confident0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-145.7164170.563.4-87.3000109.6I124 M325 Y330 I342 L370 L379I124-F323 HydrophobicContact CD1-CZ 4.31Å; F323-M325 HydrophobicContact CD2-CB 4.34Å; F323-M325 HydrophobicContact CE2-CB 4.24Å; F323-Y330 HydrophobicContact CD2-CD2 4.01Å; F323-Y330 HydrophobicContact CD2-CG 4.46Å; F323-Y330 HydrophobicContact CE1-CG 4.41Å; F323-Y330 AromaticContact CE2-CD2 3.42Å; F323-Y330 HydrophobicContact CE2-CD2 3.42Å; F323-Y330 VanDerWaalsContact CE2-CD2 3.42Å; F323-Y330 HydrophobicContact CE2-CE2 4.28Å; F323-Y330 AromaticContact CE2-CG 3.74Å; F323-Y330 HydrophobicContact CE2-CG 3.74Å; F323-Y330 AromaticContact CZ-CD2 3.91Å; F323-Y330 HydrophobicContact CZ-CD2 3.91Å; F323-Y330 AromaticContact CZ-CG 3.72Å; F323-Y330 HydrophobicContact CZ-CG 3.72Å; F323-Y330 PolarHBondContact N-O 3.03Å; F323-Y330 PolarHBondContact O-N 3.35Å; F323-I342 HydrophobicContact CE1-CD1 3.85Å; F323-I342 HydrophobicContact CE1-CG1 4.49Å; F323-I342 HydrophobicContact CZ-CD1 4.1Å; F323-L370 HydrophobicContact CD1-CD2 3.66Å; F323-L370 HydrophobicContact CD1-CG 3.9Å; F323-L370 HydrophobicContact CE1-CD2 4.01Å; F323-L379 HydrophobicContact CB-CD2 4.29Å; F323-L379 HydrophobicContact CD1-CD2 3.84Å; F323-L379 HydrophobicContact CD2-CD2 3.56Å; F323-L379 HydrophobicContact CE1-CD1 4.13Å; F323-L379 HydrophobicContact CE1-CD2 3.98Å; F323-L379 HydrophobicContact CE2-CD1 4.36Å; F323-L379 HydrophobicContact CE2-CD2 3.71Å; F323-L379 HydrophobicContact CG-CD2 3.62Å; F323-L379 HydrophobicContact CZ-CD1 3.91Å; F323-L379 HydrophobicContact CZ-CD2 3.91Å
324I98Very high87.8Confident0 Ų038.6 Ų38.60%021%0.212CC..EExtended strand (participates in β ladder)trans-115.3135.9173.8-64.1167.3000108.3A274 D276 W281 I283 I295 V328 L329 L348 Y372A274-I324 HydrophobicContact CB-CB 4.07Å; A274-I324 HydrophobicContact CB-CD1 4.08Å; A274-I324 HydrophobicContact CB-CG1 4.15Å; D276-I324 HydrophobicContact CB-CG2 4.09Å; W281-I324 HydrophobicContact CB-CD1 3.58Å; W281-I324 HydrophobicContact CD2-CD1 4.1Å; W281-I324 HydrophobicContact CE3-CD1 4.43Å; W281-I324 HydrophobicContact CG-CD1 3.73Å; I283-I324 HydrophobicContact CD1-CD1 4.06Å; I283-I324 HydrophobicContact CD1-CG1 4.16Å; I283-I324 HydrophobicContact CG1-CD1 3.98Å; I295-I324 HydrophobicContact CG2-CD1 3.84Å; I324-V328 WeakPolarHBondContact CA-O 3.42Å; I324-L329 HydrophobicContact CD1-CD1 4.35Å; I324-L329 HydrophobicContact CG1-CB 4.34Å; I324-L329 HydrophobicContact CG1-CD1 3.76Å; I324-L348 HydrophobicContact CD1-CD1 3.98Å; I324-L348 HydrophobicContact CG1-CD1 4.31Å; I324-L348 HydrophobicContact CG2-CD1 4.04Å; I324-Y372 WeakPolarHBondContact O-CB 3.28Å; I324-Y372 WeakPolarHBondContact O-CD1 3.37Å
325M97.3Very high88.8Confident0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-142.2131.2173.3176-173.183.600107.9I124 F323 G327 V328 Y330 Y372 V392 V394I124-M325 HydrophobicContact CB-CE 3.69Å; I124-M325 HydrophobicContact CG1-CE 4.44Å; F323-M325 HydrophobicContact CD2-CB 4.34Å; F323-M325 HydrophobicContact CE2-CB 4.24Å; M325-G327 PolarHBondContact O-N 2.92Å; M325-G327 VanDerWaalsContact O-N 3.16Å; M325-V328 PolarHBondContact N-O 3.41Å; M325-V328 VanDerWaalsContact N-O 3.08Å; M325-V328 PolarHBondContact O-N 2.9Å; M325-Y330 HydrophobicContact CB-CD2 4.32Å; M325-Y330 HydrophobicContact CB-CE2 4.01Å; M325-Y330 HydrophobicContact CE-CE2 4.05Å; M325-Y372 HydrophobicContact CB-CD1 3.81Å; M325-Y372 HydrophobicContact CB-CD2 4.41Å; M325-Y372 HydrophobicContact CB-CE1 3.99Å; M325-Y372 HydrophobicContact CB-CG 4.03Å; M325-Y372 HydrophobicContact CG-CD1 3.93Å; M325-Y372 HydrophobicContact CG-CD2 4.28Å; M325-Y372 HydrophobicContact CG-CE1 3.57Å; M325-Y372 HydrophobicContact CG-CE2 3.95Å; M325-Y372 HydrophobicContact CG-CG 4.26Å; M325-Y372 HydrophobicContact SD-CD2 4.28Å; M325-Y372 HydrophobicContact SD-CE2 3.83Å; M325-V392 HydrophobicContact CE-CG1 4.38Å; M325-V392 HydrophobicContact SD-CG1 3.82Å; M325-V394 HydrophobicContact CE-CG1 3.98Å; M325-V394 HydrophobicContact SD-CG1 4.25Å
326C95.9Very high90.7Very high2 Ų227.8 Ų27.81%0.01417%0.169CC..THydrogen-bonded Turntrans44.344.3-178.8-59.50000114.8I120 C122 D276 E277 V328I120-C326 CarbonylContact O-C 3.56Å; I120-C326 WeakPolarHBondContact O-CA 3.41Å; I120-C326 WeakPolarHBondContact O-CB 3.32Å; C122-C326 HydrophobicContact CB-CB 3.7Å; C122-C326 WeakPolarHBondContact CB-SG 3.35Å; C122-C326 WeakPolarHBondContact SG-CB 3.4Å; C122-C326 CovalentContact SG-SG 2.03Å; C122-C326 PolarHBondContact SG-SG 2.73Å; D276-C326 PolarHBondContact OD2-N 3.33Å; E277-C326 WeakPolarHBondContact OE2-CA 3.41Å; E277-C326 PolarHBondContact OE2-N 2.91Å; E277-C326 PolarHBondContact OE2-SG 3.31Å; E277-C326 VanDerWaalsContact OE2-SG 3.33Å; C326-V328 VanDerWaalsContact C-N 3.28Å; C326-V328 PolarHBondContact O-N 2.65Å
327G95.6Very high92.6Very high0 Ų028.1 Ų28.10%015%0.152CC..THydrogen-bonded Turntrans76.111.1178.400000115.5D276 N278 M325 L348D276-G327 PolarHBondContact OD2-N 2.81Å; N278-G327 PolarHBondContact ND2-N 3.19Å; M325-G327 PolarHBondContact O-N 2.92Å; M325-G327 VanDerWaalsContact O-N 3.16Å; G327-L348 VanDerWaalsContact O-CB 3.22Å; G327-L348 WeakPolarHBondContact O-CB 3.47Å; G327-L348 WeakPolarHBondContact O-CG 3.4Å; G327-L348 PolarHBondContact O-N 2.64Å
328V96.9Very high94.4Very high0 Ų026.7 Ų26.70%014%0.144CC..EExtended strand (participates in β ladder)trans-115.5125.8177.8-1760000109.5I324 M325 C326 Y330 A345 Y346 L354I324-V328 WeakPolarHBondContact CA-O 3.42Å; M325-V328 PolarHBondContact N-O 3.41Å; M325-V328 VanDerWaalsContact N-O 3.08Å; M325-V328 PolarHBondContact O-N 2.9Å; C326-V328 VanDerWaalsContact C-N 3.28Å; C326-V328 PolarHBondContact O-N 2.65Å; V328-Y330 HydrophobicContact CB-CD2 4.29Å; V328-Y330 HydrophobicContact CB-CE2 3.54Å; V328-Y330 HydrophobicContact CG1-CD1 4.36Å; V328-Y330 HydrophobicContact CG1-CD2 4.17Å; V328-Y330 HydrophobicContact CG1-CE1 3.81Å; V328-Y330 HydrophobicContact CG1-CE2 3.62Å; V328-Y330 VanDerWaalsContact CG1-CZ 3.42Å; V328-Y330 VanDerWaalsContact O-CD2 3.24Å; V328-Y330 WeakPolarHBondContact O-CD2 3.24Å; V328-Y330 WeakPolarHBondContact O-CE2 3.17Å; V328-A345 HydrophobicContact CG1-CB 4.34Å; V328-Y346 WeakPolarHBondContact CA-O 3.07Å; V328-L354 HydrophobicContact CG1-CD1 3.77Å; V328-L354 HydrophobicContact CG2-CD1 4.12Å
329L97.2Very high95.4Very high0 Ų025.3 Ų25.30%013%0.133CC..EExtended strand (participates in β ladder)trans-81.2121.4171.5176.968.4000109.4I283 I295 M322 I324 F344 A345 Y346 L348I283-L329 HydrophobicContact CD1-CD1 3.62Å; I283-L329 HydrophobicContact CG1-CD1 4.19Å; I295-L329 HydrophobicContact CD1-CD2 4.03Å; I295-L329 HydrophobicContact CG1-CD2 3.93Å; M322-L329 HydrophobicContact CB-CD1 3.95Å; M322-L329 HydrophobicContact CG-CD1 4.46Å; M322-L329 HydrophobicContact SD-CD1 4.06Å; M322-L329 HydrophobicContact SD-CD2 4.12Å; M322-L329 HydrophobicContact SD-CG 4.35Å; I324-L329 HydrophobicContact CD1-CD1 4.35Å; I324-L329 HydrophobicContact CG1-CB 4.34Å; I324-L329 HydrophobicContact CG1-CD1 3.76Å; L329-F344 HydrophobicContact CD2-CE1 3.8Å; L329-F344 HydrophobicContact CD2-CZ 4.48Å; L329-F344 HydrophobicContact CG-CE1 4.05Å; L329-A345 CarbonylContact O-C 3.53Å; L329-A345 VanDerWaalsContact O-CA 3.23Å; L329-A345 WeakPolarHBondContact O-CA 3.42Å; L329-Y346 PolarHBondContact N-O 3.43Å; L329-Y346 PolarHBondContact O-N 2.81Å; L329-L348 HydrophobicContact CB-CD2 4.21Å
330Y96.8Very high95.7Very high0 Ų024.7 Ų24.70%013%0.131CC..EExtended strand (participates in β ladder)trans-110.3141.7177.4-66.5-79.8000110.9I123 I124 M322 F323 M325 V328 I342 F344 A345 L356I123-Y330 WeakPolarHBondContact CA-OH 3.27Å; I124-Y330 HydrophobicContact CB-CE1 4.16Å; I124-Y330 HydrophobicContact CG2-CD1 3.89Å; I124-Y330 HydrophobicContact CG2-CE1 3.26Å; I124-Y330 PolarHBondContact N-OH 3.42Å; I124-Y330 VanDerWaalsContact N-OH 3.08Å; M322-Y330 CarbonylContact C-O 3.56Å; M322-Y330 WeakPolarHBondContact CA-O 3.3Å; M322-Y330 VanDerWaalsContact CB-O 3.23Å; M322-Y330 WeakPolarHBondContact CB-O 3.25Å; F323-Y330 HydrophobicContact CD2-CD2 4.01Å; F323-Y330 HydrophobicContact CD2-CG 4.46Å; F323-Y330 HydrophobicContact CE1-CG 4.41Å; F323-Y330 AromaticContact CE2-CD2 3.42Å; F323-Y330 HydrophobicContact CE2-CD2 3.42Å; F323-Y330 VanDerWaalsContact CE2-CD2 3.42Å; F323-Y330 HydrophobicContact CE2-CE2 4.28Å; F323-Y330 AromaticContact CE2-CG 3.74Å; F323-Y330 HydrophobicContact CE2-CG 3.74Å; F323-Y330 AromaticContact CZ-CD2 3.91Å; F323-Y330 HydrophobicContact CZ-CD2 3.91Å; F323-Y330 AromaticContact CZ-CG 3.72Å; F323-Y330 HydrophobicContact CZ-CG 3.72Å; F323-Y330 PolarHBondContact N-O 3.03Å; F323-Y330 PolarHBondContact O-N 3.35Å; M325-Y330 HydrophobicContact CB-CD2 4.32Å; M325-Y330 HydrophobicContact CB-CE2 4.01Å; M325-Y330 HydrophobicContact CE-CE2 4.05Å; V328-Y330 HydrophobicContact CB-CD2 4.29Å; V328-Y330 HydrophobicContact CB-CE2 3.54Å; V328-Y330 HydrophobicContact CG1-CD1 4.36Å; V328-Y330 HydrophobicContact CG1-CD2 4.17Å; V328-Y330 HydrophobicContact CG1-CE1 3.81Å; V328-Y330 HydrophobicContact CG1-CE2 3.62Å; V328-Y330 VanDerWaalsContact CG1-CZ 3.42Å; V328-Y330 VanDerWaalsContact O-CD2 3.24Å; V328-Y330 WeakPolarHBondContact O-CD2 3.24Å; V328-Y330 WeakPolarHBondContact O-CE2 3.17Å; Y330-I342 HydrophobicContact CD1-CG2 4.05Å; Y330-I342 HydrophobicContact CG-CG2 4.43Å; Y330-F344 CarbonylContact C-O 3.51Å; Y330-F344 VanDerWaalsContact CA-O 3.29Å; Y330-F344 WeakPolarHBondContact CA-O 3.46Å; Y330-A345 HydrophobicContact CD1-CB 3.99Å; Y330-A345 HydrophobicContact CE1-CB 4Å; Y330-L356 HydrophobicContact CD1-CD1 4.33Å; Y330-L356 HydrophobicContact CE1-CD1 4.12Å; Y330-L356 HydrophobicContact CE1-CD2 3.84Å
331G95.5Very high95.8Very high0 Ų026.6 Ų26.60%014%0.137CC..EExtended strand (participates in β ladder)trans-125.2132.2178.100000113I342 N343 F344G331-I342 WeakPolarHBondContact O-CA 3.3Å; G331-N343 PolarHBondContact O-N 3.39Å; G331-F344 PolarHBondContact N-O 3.39Å
332L95.6Very high95.9Very high0 Ų026.5 Ų26.50%014%0.136CC..EExtended strand (participates in β ladder)trans-84.8130.3174.3174.560.8000110.3I319 C320 N321 I342 W360 L370I319-L332 CarbonylContact C-O 3.6Å; C320-L332 PolarHBondContact N-O 2.93Å; N321-L332 PolarHBondContact O-N 3.17Å; L332-I342 HydrophobicContact CD1-CG1 4.31Å; L332-W360 HydrophobicContact CD1-CB 3.76Å; L332-W360 HydrophobicContact CD1-CD2 4.14Å; L332-W360 HydrophobicContact CD1-CG 3.44Å; L332-W360 VanDerWaalsContact CD1-CG 3.44Å; L332-L370 HydrophobicContact CB-CD2 4.19Å; L332-L370 HydrophobicContact CD2-CD2 4.24Å
333T93.7Very high95.7Very high45 Ų4527.7 Ų27.728%0.27614%0.142SC..SBendtrans-71.9-44.4-175.9-54.60000113E341 N343T333-E341 WeakPolarHBondContact CB-O 3.43Å; T333-E341 PolarHBondContact N-O 2.86Å; T333-E341 WeakPolarHBondContact OG1-CG 3.12Å; T333-E341 PolarHBondContact OG1-O 2.04Å; T333-N343 VanDerWaalsContact OG1-CG 3.28Å; T333-N343 PolarHBondContact OG1-ND2 3.19Å; T333-N343 PolarHBondContact OG1-OD1 3.48Å
334S94.1Very high95.6Very high14 Ų1428.4 Ų28.410%0.09815%0.146CC..  trans-144.2136.2-174.5176.80000111.3T336 D337 S340 N362S334-T336 PolarHBondContact OG-N 3.3Å; S334-T336 PolarHBondContact OG-OG1 2.84Å; S334-D337 WeakPolarHBondContact CB-OD2 3.39Å; S334-D337 VanDerWaalsContact OG-CG 3.23Å; S334-D337 PolarHBondContact OG-N 3.29Å; S334-D337 VanDerWaalsContact OG-N 3.12Å; S334-D337 PolarHBondContact OG-OD2 2.85Å; S334-S340 WeakPolarHBondContact CB-OG 3.26Å; S334-S340 PolarHBondContact N-OG 3.08Å; S334-S340 WeakPolarHBondContact O-CB 3.45Å; S334-S340 PolarHBondContact O-OG 3.33Å; S334-N362 PolarHBondContact O-ND2 3.23Å
335C94.2Very high95.4Very high7 Ų728.5 Ų28.55%0.04715%0.147CC..SBendtrans-95.8-8.2174-58.50000113.1C320 R365 S366 T367C320-C335 HydrophobicContact CB-CB 4.1Å; C320-C335 WeakPolarHBondContact CB-SG 3.5Å; C320-C335 WeakPolarHBondContact SG-CB 3.44Å; C320-C335 PolarHBondContact SG-N 3.1Å; C320-C335 CovalentContact SG-SG 2Å; C320-C335 PolarHBondContact SG-SG 2.93Å; C335-R365 CarbonylContact O-C 3.21Å; C335-S366 PolarHBondContact O-N 2.67Å; C335-T367 VanDerWaalsContact CB-O 3.31Å; C335-T367 WeakPolarHBondContact CB-O 3.23Å; C335-T367 PolarHBondContact O-N 3.17Å; C335-T367 PolarHBondContact SG-O 2.78Å
336T94.9Very high95.4Very high87 Ų8729.1 Ų29.153%0.53415%0.149SC..SBendtrans-107.7-27.8-174.354.70000112.9S334 Y338 R365S334-T336 PolarHBondContact OG-N 3.3Å; S334-T336 PolarHBondContact OG-OG1 2.84Å; T336-Y338 PolarHBondContact O-N 2.86Å; T336-R365 WeakPolarHBondContact CA-O 3.35Å; T336-R365 WeakPolarHBondContact O-CB 2.92Å; T336-R365 WeakPolarHBondContact O-CG 2.96Å
337D95.9Very high95.4Very high87 Ų8729.4 Ų29.447%0.46515%0.15SC..SBendtrans-72.7127.9175.1-62.8-44.2000110S334 Q339 N362S334-D337 WeakPolarHBondContact CB-OD2 3.39Å; S334-D337 VanDerWaalsContact OG-CG 3.23Å; S334-D337 PolarHBondContact OG-N 3.29Å; S334-D337 VanDerWaalsContact OG-N 3.12Å; S334-D337 PolarHBondContact OG-OD2 2.85Å; D337-Q339 PolarHBondContact O-N 3Å; D337-N362 PolarHBondContact O-ND2 3.28Å
338Y96.5Very high95.4Very high100 Ų10029.4 Ų29.439%0.39215%0.15SC..SBendtrans-56.5-41.6179.1171-98.3000112.1T336 R361 N362T336-Y338 PolarHBondContact O-N 2.86Å; Y338-R361 CarbonylContact O-C 3.57Å; Y338-R361 VanDerWaalsContact O-CA 3.24Å; Y338-R361 WeakPolarHBondContact O-CA 3.47Å; Y338-N362 PolarHBondContact O-N 3.28Å
339Q95.9Very high95.2Very high123 Ų12332.7 Ų32.758%0.57516%0.163SC*.EExtended strand (participates in β ladder)trans-113.7110.4172.5-175.9172.3-40.800108.3D337 V359D337-Q339 PolarHBondContact O-N 3Å; Q339-V359 HydrophobicContact CG-CG1 4.1Å
340S95.3Very high95Very high13 Ų1337.4 Ų37.49%0.09119%0.185CC..EExtended strand (participates in β ladder)trans-118-168.1178.3-165.80000109.8S334 W360S334-S340 WeakPolarHBondContact CB-OG 3.26Å; S334-S340 PolarHBondContact N-OG 3.08Å; S334-S340 WeakPolarHBondContact O-CB 3.45Å; S334-S340 PolarHBondContact O-OG 3.33Å; S340-W360 PolarHBondContact N-O 3.15Å; S340-W360 PolarHBondContact O-N 2.77Å; S340-W360 VanDerWaalsContact O-O 3.1Å
341E95.2Very high94.9Very high76 Ų7642.3 Ų42.336%0.35521%0.208SC..EExtended strand (participates in β ladder)trans-144.3147.8177.760.6174.9-171.600111.8T333 N343 S357 T358T333-E341 WeakPolarHBondContact CB-O 3.43Å; T333-E341 PolarHBondContact N-O 2.86Å; T333-E341 WeakPolarHBondContact OG1-CG 3.12Å; T333-E341 PolarHBondContact OG1-O 2.04Å; E341-N343 HydrophobicContact CG-CB 4.06Å; E341-N343 PolarHBondContact OE1-ND2 2.97Å; E341-S357 PolarHBondContact OE2-OG 2.93Å; E341-T358 WeakPolarHBondContact CA-O 3.29Å
342I95.2Very high94.9Very high0 Ų048 Ų480%023%0.229CC..EExtended strand (participates in β ladder)trans-95.7103.3163.7-63.6161000106V127 F323 Y330 G331 L332 S357 T358 W360V127-I342 HydrophobicContact CG2-CD1 4.03Å; F323-I342 HydrophobicContact CE1-CD1 3.85Å; F323-I342 HydrophobicContact CE1-CG1 4.49Å; F323-I342 HydrophobicContact CZ-CD1 4.1Å; Y330-I342 HydrophobicContact CD1-CG2 4.05Å; Y330-I342 HydrophobicContact CG-CG2 4.43Å; G331-I342 WeakPolarHBondContact O-CA 3.3Å; L332-I342 HydrophobicContact CD1-CG1 4.31Å; I342-S357 WeakPolarHBondContact O-CA 3.33Å; I342-T358 HydrophobicContact CB-CG2 3.79Å; I342-T358 HydrophobicContact CD1-CG2 4.09Å; I342-T358 HydrophobicContact CG1-CG2 4.45Å; I342-T358 HydrophobicContact CG2-CG2 4.42Å; I342-T358 PolarHBondContact N-O 3.12Å; I342-T358 PolarHBondContact O-N 3.24Å; I342-T358 VanDerWaalsContact O-N 3.1Å; I342-W360 HydrophobicContact CD1-CD2 4.46Å; I342-W360 HydrophobicContact CD1-CE3 3.75Å; I342-W360 HydrophobicContact CD1-CZ3 4.41Å; I342-W360 HydrophobicContact CG1-CB 4.37Å
343N93.2Very high94.9Very high27 Ų2750.7 Ų50.714%0.14424%0.24CC..EExtended strand (participates in β ladder)trans-124.2-7-173.672.68.2000113.4K317 G331 T333 E341K317-N343 PolarHBondContact NZ-ND2 2.89Å; G331-N343 PolarHBondContact O-N 3.39Å; T333-N343 VanDerWaalsContact OG1-CG 3.28Å; T333-N343 PolarHBondContact OG1-ND2 3.19Å; T333-N343 PolarHBondContact OG1-OD1 3.48Å; E341-N343 HydrophobicContact CG-CB 4.06Å; E341-N343 PolarHBondContact OE1-ND2 2.97Å
344F94.1Very high94.9Very high16 Ų1649.4 Ų49.47%0.0723%0.231CC..EExtended strand (participates in β ladder)trans-96.6123.6172179.7-83.6000107.4V311 M313 I319 M322 L329 Y330 G331 Y353V311-F344 HydrophobicContact CG1-CZ 3.95Å; M313-F344 HydrophobicContact CE-CE1 4.34Å; M313-F344 HydrophobicContact CE-CE2 3.65Å; M313-F344 HydrophobicContact CE-CZ 3.41Å; M313-F344 VanDerWaalsContact CE-CZ 3.41Å; I319-F344 HydrophobicContact CD1-CB 3.98Å; I319-F344 HydrophobicContact CD1-CD1 4.16Å; I319-F344 HydrophobicContact CD1-CD2 3.51Å; I319-F344 HydrophobicContact CD1-CE2 4Å; I319-F344 HydrophobicContact CD1-CG 3.61Å; M322-F344 HydrophobicContact CE-CD1 4.29Å; M322-F344 HydrophobicContact CE-CE1 4.19Å; L329-F344 HydrophobicContact CD2-CE1 3.8Å; L329-F344 HydrophobicContact CD2-CZ 4.48Å; L329-F344 HydrophobicContact CG-CE1 4.05Å; Y330-F344 CarbonylContact C-O 3.51Å; Y330-F344 VanDerWaalsContact CA-O 3.29Å; Y330-F344 WeakPolarHBondContact CA-O 3.46Å; G331-F344 PolarHBondContact N-O 3.39Å; F344-Y353 AromaticContact CE2-CE1 3.88Å; F344-Y353 HydrophobicContact CE2-CE1 3.88Å; F344-Y353 HydrophobicContact CZ-CE1 4.27Å
345A95.3Very high94.9Very high2 Ų256.5 Ų56.52%0.01727%0.268CS..EExtended strand (participates in β ladder)trans-144.5129.4175.600000109.8V328 L329 Y330 Y353 L354 L356V328-A345 HydrophobicContact CG1-CB 4.34Å; L329-A345 CarbonylContact O-C 3.53Å; L329-A345 VanDerWaalsContact O-CA 3.23Å; L329-A345 WeakPolarHBondContact O-CA 3.42Å; Y330-A345 HydrophobicContact CD1-CB 3.99Å; Y330-A345 HydrophobicContact CE1-CB 4Å; A345-Y353 WeakPolarHBondContact O-CA 3.42Å; A345-L354 HydrophobicContact CB-CB 3.83Å; A345-L354 PolarHBondContact O-N 2.76Å; A345-L356 HydrophobicContact CB-CD1 4.07Å; A345-L356 HydrophobicContact CB-CD2 3.65Å; A345-L356 HydrophobicContact CB-CG 3.73Å
346Y95.8Very high94.8Very high12 Ų1257.7 Ų57.75%0.04727%0.274CS..EExtended strand (participates in β ladder)trans-136.5119.6-179-171-85.9000110.2V311 V328 L329 L348 E351 Y353V311-Y346 HydrophobicContact CG1-CD1 4.06Å; V311-Y346 HydrophobicContact CG1-CD2 3.85Å; V311-Y346 HydrophobicContact CG1-CE1 4.33Å; V311-Y346 HydrophobicContact CG1-CE2 4.15Å; V311-Y346 HydrophobicContact CG1-CG 3.79Å; V311-Y346 HydrophobicContact CG2-CD1 3.66Å; V311-Y346 HydrophobicContact CG2-CE1 3.58Å; V311-Y346 HydrophobicContact CG2-CG 4.26Å; V328-Y346 WeakPolarHBondContact CA-O 3.07Å; L329-Y346 PolarHBondContact N-O 3.43Å; L329-Y346 PolarHBondContact O-N 2.81Å; Y346-L348 HydrophobicContact CD1-CD2 4.11Å; Y346-L348 PolarHBondContact O-N 2.84Å; Y346-E351 VanDerWaalsContact OH-CA 3.27Å; Y346-E351 WeakPolarHBondContact OH-CA 3.47Å; Y346-E351 WeakPolarHBondContact OH-CB 3.31Å; Y346-E351 PolarHBondContact OH-O 2.82Å; Y346-Y353 AromaticContact CD2-CD1 3.83Å; Y346-Y353 HydrophobicContact CD2-CD1 3.83Å; Y346-Y353 HydrophobicContact CD2-CD2 4.14Å; Y346-Y353 AromaticContact CD2-CE1 3.88Å; Y346-Y353 HydrophobicContact CD2-CE1 3.88Å; Y346-Y353 HydrophobicContact CD2-CE2 4.17Å; Y346-Y353 AromaticContact CD2-CG 3.99Å; Y346-Y353 HydrophobicContact CD2-CG 3.99Å; Y346-Y353 HydrophobicContact CE2-CD2 4.19Å; Y346-Y353 HydrophobicContact CE2-CE2 4.06Å; Y346-Y353 HydrophobicContact CE2-CG 4.49Å
347H95.7Very high94.8Very high9 Ų957.2 Ų57.24%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-76.9113.8178.9-160.1-86.4000109.2E121 E350 E351 R352 L354E121-H347 IonicContact OE1-CE1 2.64Å; E121-H347 PolarHBondContact OE1-CE1 3.12Å; E121-H347 IonicContact OE1-NE2 2.7Å; H347-E350 HydrophobicContact CB-CB 4.25Å; H347-E350 IonicContact CE1-OE2 3.47Å; H347-E350 IonicContact CG-OE2 3.63Å; H347-E350 WeakPolarHBondContact ND1-CB 3.37Å; H347-E350 VanDerWaalsContact ND1-CG 3.32Å; H347-E350 WeakPolarHBondContact ND1-CG 3.23Å; H347-E350 PolarHBondContact ND1-N 2.7Å; H347-E350 VanDerWaalsContact ND1-N 3.19Å; H347-E350 IonicContact ND1-OE2 3.56Å; H347-E351 VanDerWaalsContact O-CA 3.28Å; H347-E351 WeakPolarHBondContact O-CA 3.41Å; H347-E351 PolarHBondContact O-N 3.41Å; H347-R352 HydrophobicContact CB-CG 4.31Å; H347-R352 PolarHBondContact N-O 2.85Å; H347-R352 PolarHBondContact O-N 2.87Å; H347-L354 HydrophobicContact CB-CD1 4.41Å; H347-L354 HydrophobicContact CB-CD2 4.29Å; H347-L354 HydrophobicContact CB-CG 4.32Å
348L95.7Very high94.7Very high0 Ų053.7 Ų53.70%026%0.256CS..THydrogen-bonded Turntrans-72.6-30.9-171.9-61.8170.7000112.1W281 I295 R307 I309 V311 I324 G327 L329 Y346W281-L348 HydrophobicContact CE3-CD1 4.2Å; W281-L348 HydrophobicContact CH2-CD1 4.18Å; W281-L348 HydrophobicContact CZ3-CD1 3.98Å; I295-L348 HydrophobicContact CB-CD2 4.06Å; I295-L348 HydrophobicContact CG1-CD2 4.11Å; I295-L348 HydrophobicContact CG2-CD1 3.87Å; I295-L348 HydrophobicContact CG2-CD2 3.78Å; I295-L348 HydrophobicContact CG2-CG 4.5Å; R307-L348 PolarHBondContact NH2-O 2.64Å; R307-L348 VanDerWaalsContact NH2-O 3.16Å; I309-L348 HydrophobicContact CD1-CB 4Å; I309-L348 HydrophobicContact CD1-CD2 4.38Å; I309-L348 WeakPolarHBondContact CD1-O 3.12Å; V311-L348 HydrophobicContact CG2-CD2 4.36Å; I324-L348 HydrophobicContact CD1-CD1 3.98Å; I324-L348 HydrophobicContact CG1-CD1 4.31Å; I324-L348 HydrophobicContact CG2-CD1 4.04Å; G327-L348 VanDerWaalsContact O-CB 3.22Å; G327-L348 WeakPolarHBondContact O-CB 3.47Å; G327-L348 WeakPolarHBondContact O-CG 3.4Å; G327-L348 PolarHBondContact O-N 2.64Å; L329-L348 HydrophobicContact CB-CD2 4.21Å; Y346-L348 HydrophobicContact CD1-CD2 4.11Å; Y346-L348 PolarHBondContact O-N 2.84Å
349Y93.4Very high94.7Very high68 Ų6852.7 Ų52.727%0.26726%0.26SS..THydrogen-bonded Turntrans-79.6-37.1-179.9-63.7-81.2000113.3A119 N278A119-Y349 HydrophobicContact CB-CD1 4.19Å; A119-Y349 HydrophobicContact CB-CD2 4.03Å; A119-Y349 HydrophobicContact CB-CE1 3.79Å; A119-Y349 HydrophobicContact CB-CE2 3.58Å; A119-Y349 HydrophobicContact CB-CG 4.33Å; A119-Y349 VanDerWaalsContact CB-CZ 3.47Å; N278-Y349 WeakPolarHBondContact CB-OH 3.4Å
350E93.5Very high94.7Very high99 Ų9946.9 Ų46.946%0.46323%0.233SC..THydrogen-bonded Turntrans-94.2-6.2-178.3-65.6176.9150.700112.3H347 R352H347-E350 HydrophobicContact CB-CB 4.25Å; H347-E350 IonicContact CE1-OE2 3.47Å; H347-E350 IonicContact CG-OE2 3.63Å; H347-E350 WeakPolarHBondContact ND1-CB 3.37Å; H347-E350 VanDerWaalsContact ND1-CG 3.32Å; H347-E350 WeakPolarHBondContact ND1-CG 3.23Å; H347-E350 PolarHBondContact ND1-N 2.7Å; H347-E350 VanDerWaalsContact ND1-N 3.19Å; H347-E350 IonicContact ND1-OE2 3.56Å; E350-R352 VanDerWaalsContact C-N 3.27Å; E350-R352 HydrophobicContact CB-CG 4.03Å; E350-R352 PolarHBondContact O-N 2.91Å; E350-R352 IonicContact OE1-NH2 3.99Å; E350-R352 IonicContact OE2-CZ 3.99Å; E350-R352 IonicContact OE2-NE 3.92Å; E350-R352 PolarHBondContact OE2-NE 2.85Å; E350-R352 IonicContact OE2-NH2 3.45Å; E350-R352 PolarHBondContact OE2-NH2 3.48Å
351E95.1Very high94.8Very high104 Ų10451.8 Ų51.849%0.48625%0.249SC..THydrogen-bonded Turntrans52.741.1177.5-62.2-176.8-162.400113.7R307 I309 Y346 H347R307-E351 IonicContact CZ-OE1 3.09Å; R307-E351 IonicContact NH2-OE1 2.96Å; R307-E351 PolarHBondContact NH2-OE1 3.18Å; I309-E351 HydrophobicContact CG2-CG 4.2Å; Y346-E351 VanDerWaalsContact OH-CA 3.27Å; Y346-E351 WeakPolarHBondContact OH-CA 3.47Å; Y346-E351 WeakPolarHBondContact OH-CB 3.31Å; Y346-E351 PolarHBondContact OH-O 2.82Å; H347-E351 VanDerWaalsContact O-CA 3.28Å; H347-E351 WeakPolarHBondContact O-CA 3.41Å; H347-E351 PolarHBondContact O-N 3.41Å
352R95.5Very high94.9Very high119 Ų11948.2 Ų48.245%0.44923%0.232SC..EExtended strand (participates in β ladder)trans-133.2154.4-178.870.2176178.897.16.5113.2H347 E350 L354H347-R352 HydrophobicContact CB-CG 4.31Å; H347-R352 PolarHBondContact N-O 2.85Å; H347-R352 PolarHBondContact O-N 2.87Å; E350-R352 VanDerWaalsContact C-N 3.27Å; E350-R352 HydrophobicContact CB-CG 4.03Å; E350-R352 PolarHBondContact O-N 2.91Å; E350-R352 IonicContact OE1-NH2 3.99Å; E350-R352 IonicContact OE2-CZ 3.99Å; E350-R352 IonicContact OE2-NE 3.92Å; E350-R352 PolarHBondContact OE2-NE 2.85Å; E350-R352 IonicContact OE2-NH2 3.45Å; E350-R352 PolarHBondContact OE2-NH2 3.48Å; R352-L354 VanDerWaalsContact NH1-CD2 3.3Å
353Y94.8Very high94.9Very high57 Ų5750.5 Ų50.522%0.22425%0.247CC..EExtended strand (participates in β ladder)trans-72.9143.8171.5-65.7-87.1000111.7P312 R314 F344 A345 Y346P312-Y353 WeakPolarHBondContact CG-OH 3.24Å; P312-Y353 PolarHBondContact O-OH 2.92Å; R314-Y353 HydrophobicContact CG-CE1 4.3Å; F344-Y353 AromaticContact CE2-CE1 3.88Å; F344-Y353 HydrophobicContact CE2-CE1 3.88Å; F344-Y353 HydrophobicContact CZ-CE1 4.27Å; A345-Y353 WeakPolarHBondContact O-CA 3.42Å; Y346-Y353 AromaticContact CD2-CD1 3.83Å; Y346-Y353 HydrophobicContact CD2-CD1 3.83Å; Y346-Y353 HydrophobicContact CD2-CD2 4.14Å; Y346-Y353 AromaticContact CD2-CE1 3.88Å; Y346-Y353 HydrophobicContact CD2-CE1 3.88Å; Y346-Y353 HydrophobicContact CD2-CE2 4.17Å; Y346-Y353 AromaticContact CD2-CG 3.99Å; Y346-Y353 HydrophobicContact CD2-CG 3.99Å; Y346-Y353 HydrophobicContact CE2-CD2 4.19Å; Y346-Y353 HydrophobicContact CE2-CE2 4.06Å; Y346-Y353 HydrophobicContact CE2-CG 4.49Å
354L94.5Very high95.1Very high17 Ų1753.1 Ų53.19%0.08926%0.258CS..  trans-106136.3169.1-54.7179.9000109.2I123 V328 A345 H347 R352 L356I123-L354 HydrophobicContact CD1-CD1 4.3Å; I123-L354 HydrophobicContact CG1-CD1 4.47Å; V328-L354 HydrophobicContact CG1-CD1 3.77Å; V328-L354 HydrophobicContact CG2-CD1 4.12Å; A345-L354 HydrophobicContact CB-CB 3.83Å; A345-L354 PolarHBondContact O-N 2.76Å; H347-L354 HydrophobicContact CB-CD1 4.41Å; H347-L354 HydrophobicContact CB-CD2 4.29Å; H347-L354 HydrophobicContact CB-CG 4.32Å; R352-L354 VanDerWaalsContact NH1-CD2 3.3Å; L354-L356 HydrophobicContact CB-CD2 4.14Å; L354-L356 HydrophobicContact CD1-CD2 4.47Å; L354-L356 PolarHBondContact O-N 2.68Å
355N92.9Very high95.2Very high163 Ų16359.4 Ų59.487%0.87228%0.281SS*.  trans-92.296.3174.7-70.9-23.6000108.8
356L92.7Very high95.2Very high32 Ų3261.7 Ų61.717%0.16830%0.296CS..  trans-142.3154.5173.462.189.3000110I123 I124 Y330 A345 L354I123-L356 HydrophobicContact CG2-CD2 3.79Å; I124-L356 HydrophobicContact CG2-CD1 4.09Å; I124-L356 HydrophobicContact CG2-CD2 4.48Å; Y330-L356 HydrophobicContact CD1-CD1 4.33Å; Y330-L356 HydrophobicContact CE1-CD1 4.12Å; Y330-L356 HydrophobicContact CE1-CD2 3.84Å; A345-L356 HydrophobicContact CB-CD1 4.07Å; A345-L356 HydrophobicContact CB-CD2 3.65Å; A345-L356 HydrophobicContact CB-CG 3.73Å; L354-L356 HydrophobicContact CB-CD2 4.14Å; L354-L356 HydrophobicContact CD1-CD2 4.47Å; L354-L356 PolarHBondContact O-N 2.68Å
357S93.8Very high95.2Very high77 Ų7761.4 Ų61.454%0.53830%0.296SS..  trans-140.7130.7167.5174.70000108E341 I342E341-S357 PolarHBondContact OE2-OG 2.93Å; I342-S357 WeakPolarHBondContact O-CA 3.33Å
358T94.8Very high95.1Very high14 Ų1461 Ų619%0.08629%0.294CS..EExtended strand (participates in β ladder)trans-130.7143.5173.9-164.50000110.1I124 E125 V127 E341 I342 W360I124-T358 HydrophobicContact CD1-CG2 4.34Å; I124-T358 HydrophobicContact CG2-CG2 4.44Å; E125-T358 PolarHBondContact O-OG1 3.1Å; V127-T358 HydrophobicContact CG2-CG2 4.06Å; E341-T358 WeakPolarHBondContact CA-O 3.29Å; I342-T358 HydrophobicContact CB-CG2 3.79Å; I342-T358 HydrophobicContact CD1-CG2 4.09Å; I342-T358 HydrophobicContact CG1-CG2 4.45Å; I342-T358 HydrophobicContact CG2-CG2 4.42Å; I342-T358 PolarHBondContact N-O 3.12Å; I342-T358 PolarHBondContact O-N 3.24Å; I342-T358 VanDerWaalsContact O-N 3.1Å; T358-W360 PolarHBondContact O-N 2.74Å
359V96.6Very high95Very high78 Ų7861.3 Ų61.347%0.47330%0.296SS..EExtended strand (participates in β ladder)trans-71.2130-175.3178.70000109.7Q339Q339-V359 HydrophobicContact CG-CG1 4.1Å
360W96.7Very high95.2Very high2 Ų258 Ų581%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-114150.7172.4-179.1-96000110.5V127 L332 S340 I342 T358 N362 L370 L379 F381 T390V127-W360 HydrophobicContact CG1-CE3 3.91Å; V127-W360 HydrophobicContact CG1-CZ3 3.86Å; V127-W360 HydrophobicContact CG2-CE3 4.3Å; L332-W360 HydrophobicContact CD1-CB 3.76Å; L332-W360 HydrophobicContact CD1-CD2 4.14Å; L332-W360 HydrophobicContact CD1-CG 3.44Å; L332-W360 VanDerWaalsContact CD1-CG 3.44Å; S340-W360 PolarHBondContact N-O 3.15Å; S340-W360 PolarHBondContact O-N 2.77Å; S340-W360 VanDerWaalsContact O-O 3.1Å; I342-W360 HydrophobicContact CD1-CD2 4.46Å; I342-W360 HydrophobicContact CD1-CE3 3.75Å; I342-W360 HydrophobicContact CD1-CZ3 4.41Å; I342-W360 HydrophobicContact CG1-CB 4.37Å; T358-W360 PolarHBondContact O-N 2.74Å; W360-N362 PolarHBondContact NE1-OD1 3.34Å; W360-L370 HydrophobicContact CH2-CD1 3.35Å; W360-L370 HydrophobicContact CH2-CD2 4.33Å; W360-L370 HydrophobicContact CH2-CG 4.47Å; W360-L370 HydrophobicContact CZ2-CD1 3.89Å; W360-L370 HydrophobicContact CZ2-CD2 4.41Å; W360-L370 HydrophobicContact CZ3-CD1 4.04Å; W360-L379 HydrophobicContact CH2-CB 4.46Å; W360-L379 HydrophobicContact CH2-CD1 4.48Å; W360-L379 HydrophobicContact CZ3-CB 4.47Å; W360-L379 HydrophobicContact CZ3-CD1 3.77Å; W360-F381 AromaticContact CH2-CD1 3.92Å; W360-F381 HydrophobicContact CH2-CD1 3.92Å; W360-F381 HydrophobicContact CH2-CE1 4.16Å; W360-F381 HydrophobicContact CH2-CG 4.14Å; W360-F381 HydrophobicContact CZ2-CB 4.4Å; W360-F381 HydrophobicContact CZ2-CD1 4.14Å; W360-F381 HydrophobicContact CZ2-CD2 4.01Å; W360-F381 HydrophobicContact CZ2-CE1 4.33Å; W360-F381 HydrophobicContact CZ2-CE2 4.18Å; W360-F381 AromaticContact CZ2-CG 3.96Å; W360-F381 HydrophobicContact CZ2-CG 3.96Å; W360-F381 HydrophobicContact CZ2-CZ 4.33Å; W360-T390 HydrophobicContact CH2-CG2 3.98Å; W360-T390 HydrophobicContact CZ3-CG2 3.79Å
361R96.8Very high95.4Very high116 Ų11654.1 Ų54.144%0.43827%0.265SS..EExtended strand (participates in β ladder)trans-128130.3175.6-64.1-176.1-177.3-139.5-1.7110.1P130 Y338 P363P130-R361 HydrophobicContact CG-CB 4.45Å; Y338-R361 CarbonylContact O-C 3.57Å; Y338-R361 VanDerWaalsContact O-CA 3.24Å; Y338-R361 WeakPolarHBondContact O-CA 3.47Å; R361-P363 WeakPolarHBondContact O-CD 3.44Å
362N96Very high95.5Very high0 Ų049.3 Ų49.30%024%0.243CC..  trans-106.890.8170.8-58.7-65.2000108.1S334 D337 Y338 W360 F364 R365 T367 D383S334-N362 PolarHBondContact O-ND2 3.23Å; D337-N362 PolarHBondContact O-ND2 3.28Å; Y338-N362 PolarHBondContact O-N 3.28Å; W360-N362 PolarHBondContact NE1-OD1 3.34Å; N362-F364 PolarHBondContact O-N 3.2Å; N362-R365 PolarHBondContact O-N 2.95Å; N362-T367 PolarHBondContact OD1-OG1 2.81Å; N362-D383 VanDerWaalsContact C-OD2 3.27Å
363P97.2Very high95.6Very high48 Ų4843.9 Ų43.931%0.31222%0.222SC..THydrogen-bonded Turntrans-58-32.2-174.2-2536.1000114.1P130 R361 D383 L388P130-P363 HydrophobicContact CB-CG 3.88Å; P130-P363 HydrophobicContact CG-CG 3.87Å; R361-P363 WeakPolarHBondContact O-CD 3.44Å; P363-D383 VanDerWaalsContact CD-OD2 3.23Å; P363-D383 WeakPolarHBondContact CD-OD2 3.18Å; P363-D383 VanDerWaalsContact N-OD2 3.12Å; P363-L388 HydrophobicContact CG-CD1 4.15Å
364F97Very high95.7Very high83 Ų8342.2 Ų42.236%0.36422%0.219SC..THydrogen-bonded Turntrans-112.95.4-177.3-54.1-89.4000114.1N362 S366 D383 N384 N386 L388N362-F364 PolarHBondContact O-N 3.2Å; F364-S366 VanDerWaalsContact C-N 3.27Å; F364-S366 PolarHBondContact O-N 3.29Å; F364-D383 WeakPolarHBondContact CA-OD2 3.39Å; F364-D383 HydrophobicContact CB-CB 4.34Å; F364-D383 HydrophobicContact CD2-CB 4.28Å; F364-D383 PolarHBondContact N-OD2 3.46Å; F364-N384 HydrophobicContact CB-CB 3.72Å; F364-N386 VanDerWaalsContact CD1-ND2 3.3Å; F364-N386 WeakPolarHBondContact CD1-ND2 3.5Å; F364-N386 HydrophobicContact CD2-CB 3.8Å; F364-N386 WeakPolarHBondContact CD2-ND2 3.37Å; F364-N386 HydrophobicContact CE2-CB 3.63Å; F364-N386 HydrophobicContact CG-CB 4.43Å; F364-N386 WeakPolarHBondContact CG-ND2 3.39Å; F364-N386 HydrophobicContact CZ-CB 4.12Å; F364-L388 HydrophobicContact CD2-CD1 3.86Å; F364-L388 HydrophobicContact CE2-CD1 3.88Å; F364-L388 HydrophobicContact CE2-CD2 4.19Å; F364-L388 HydrophobicContact CE2-CG 4.47Å
365R96.4Very high95.7Very high148 Ų14845 Ų4556%0.55823%0.23SC*.SBendtrans61.225.4166.8-58.5179.5178.2-120.84.1115.3C335 T336 N362 D383C335-R365 CarbonylContact O-C 3.21Å; T336-R365 WeakPolarHBondContact CA-O 3.35Å; T336-R365 WeakPolarHBondContact O-CB 2.92Å; T336-R365 WeakPolarHBondContact O-CG 2.96Å; N362-R365 PolarHBondContact O-N 2.95Å; R365-D383 PolarHBondContact N-OD1 2.93Å; R365-D383 VanDerWaalsContact N-OD1 3.15Å
366S94.5Very high95.7Very high49 Ų4939.1 Ų39.134%0.34320%0.199SC..  trans-151.164.2172.5-164.30000110.5C335 F364 T368 D383 N384C335-S366 PolarHBondContact O-N 2.67Å; F364-S366 VanDerWaalsContact C-N 3.27Å; F364-S366 PolarHBondContact O-N 3.29Å; S366-T368 WeakPolarHBondContact O-CG2 3.33Å; S366-T368 PolarHBondContact O-N 2.85Å; S366-D383 WeakPolarHBondContact CA-OD1 3.29Å; S366-D383 PolarHBondContact N-OD1 2.87Å; S366-D383 WeakPolarHBondContact O-CA 3.41Å; S366-N384 PolarHBondContact O-N 3.43Å
367T95.2Very high95.8Very high6 Ų643 Ų434%0.03721%0.211CC..EExtended strand (participates in β ladder)trans-67.9120.9177.2-63.40000110.8C335 N362 M369 F381 F382 D383C335-T367 VanDerWaalsContact CB-O 3.31Å; C335-T367 WeakPolarHBondContact CB-O 3.23Å; C335-T367 PolarHBondContact O-N 3.17Å; C335-T367 PolarHBondContact SG-O 2.78Å; N362-T367 PolarHBondContact OD1-OG1 2.81Å; T367-M369 WeakPolarHBondContact CG2-O 3.37Å; T367-F381 HydrophobicContact CG2-CB 4.42Å; T367-F381 HydrophobicContact CG2-CD2 4.43Å; T367-F382 CarbonylContact C-O 3.52Å; T367-F382 VanDerWaalsContact CA-O 3.26Å; T367-F382 WeakPolarHBondContact CA-O 3.4Å; T367-D383 PolarHBondContact N-OD1 3.14Å
368T93.4Very high96Very high2 Ų243.6 Ų43.61%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-107.3-19.1-17767.10000114.5V141 G142 T196 M266 S366 F382V141-T368 HydrophobicContact CB-CG2 4.46Å; V141-T368 HydrophobicContact CG1-CG2 4.39Å; V141-T368 HydrophobicContact CG2-CG2 4.2Å; G142-T368 PolarHBondContact O-OG1 2.85Å; G142-T368 VanDerWaalsContact O-OG1 3.13Å; T196-T368 WeakPolarHBondContact CB-O 2.95Å; T196-T368 PolarHBondContact OG1-O 2.6Å; M266-T368 VanDerWaalsContact CE-CB 3.42Å; M266-T368 HydrophobicContact CE-CG2 3.72Å; S366-T368 WeakPolarHBondContact O-CG2 3.33Å; S366-T368 PolarHBondContact O-N 2.85Å; T368-F382 PolarHBondContact N-O 2.96Å; T368-F382 WeakPolarHBondContact OG1-CD1 3.4Å
369M95.2Very high96.1Very high5 Ų543 Ų433%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-146.6142178.7178.9-84.6-84.800108.3A143 W144 T367 N371 Y380 F381 F382A143-M369 HydrophobicContact CB-CB 4.26Å; A143-M369 HydrophobicContact CB-CE 4.13Å; A143-M369 HydrophobicContact CB-CG 3.89Å; W144-M369 HydrophobicContact CG-CE 4.38Å; W144-M369 VanDerWaalsContact N-CE 3.25Å; W144-M369 WeakPolarHBondContact O-CE 3.42Å; T367-M369 WeakPolarHBondContact CG2-O 3.37Å; M369-N371 HydrophobicContact SD-CB 3.89Å; M369-Y380 VanDerWaalsContact SD-O 3.34Å; M369-F381 CarbonylContact O-C 3.56Å; M369-F381 WeakPolarHBondContact O-CA 2.86Å; M369-F381 WeakPolarHBondContact O-CB 3.48Å; M369-F382 HydrophobicContact CB-CB 3.95Å; M369-F382 PolarHBondContact O-N 3.45Å
370L96.9Very high96.2Very high0 Ų039.4 Ų39.40%018%0.176CC..EExtended strand (participates in β ladder)trans-143.7123167.8170.265.4000108.6N321 F323 L332 W360 L379 Y380 F381N321-L370 HydrophobicContact CB-CB 4.18Å; N321-L370 WeakPolarHBondContact OD1-CB 3.47Å; N321-L370 PolarHBondContact OD1-N 2.88Å; N321-L370 PolarHBondContact OD1-O 2.93Å; F323-L370 HydrophobicContact CD1-CD2 3.66Å; F323-L370 HydrophobicContact CD1-CG 3.9Å; F323-L370 HydrophobicContact CE1-CD2 4.01Å; L332-L370 HydrophobicContact CB-CD2 4.19Å; L332-L370 HydrophobicContact CD2-CD2 4.24Å; W360-L370 HydrophobicContact CH2-CD1 3.35Å; W360-L370 HydrophobicContact CH2-CD2 4.33Å; W360-L370 HydrophobicContact CH2-CG 4.47Å; W360-L370 HydrophobicContact CZ2-CD1 3.89Å; W360-L370 HydrophobicContact CZ2-CD2 4.41Å; W360-L370 HydrophobicContact CZ3-CD1 4.04Å; L370-L379 HydrophobicContact CD1-CB 3.86Å; L370-L379 HydrophobicContact CD1-CD1 4.43Å; L370-L379 HydrophobicContact CD1-CD2 4.01Å; L370-L379 HydrophobicContact CD1-CG 4.31Å; L370-Y380 CarbonylContact C-O 3.59Å; L370-Y380 WeakPolarHBondContact CA-O 3.31Å; L370-F381 HydrophobicContact CB-CB 4.38Å; L370-F381 HydrophobicContact CD1-CB 3.95Å
371N97.5Very high96.3Very high17 Ų1739.3 Ų39.39%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-143.9143.9-177.7-151.4-89.8000111.3F273 M369 L379 Y380F273-N371 PolarHBondContact O-ND2 3.47Å; M369-N371 HydrophobicContact SD-CB 3.89Å; N371-L379 CarbonylContact O-C 3.45Å; N371-L379 WeakPolarHBondContact O-CA 3.35Å; N371-Y380 PolarHBondContact N-O 3.26Å; N371-Y380 PolarHBondContact O-N 2.92Å
372Y98.3Very high96.2Very high2 Ų233.8 Ų33.81%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-93.8134.8177.1176.8-110.8000110.5T275 D276 E277 I324 M325 P374 R377 L379T275-Y372 WeakPolarHBondContact O-CD1 3.34Å; T275-Y372 PolarHBondContact OG1-O 2Å; D276-Y372 HydrophobicContact CB-CD1 4.38Å; E277-Y372 VanDerWaalsContact OE1-CE1 3.28Å; E277-Y372 WeakPolarHBondContact OE1-CE1 3.28Å; E277-Y372 PolarHBondContact OE1-OH 3.31Å; I324-Y372 WeakPolarHBondContact O-CB 3.28Å; I324-Y372 WeakPolarHBondContact O-CD1 3.37Å; M325-Y372 HydrophobicContact CB-CD1 3.81Å; M325-Y372 HydrophobicContact CB-CD2 4.41Å; M325-Y372 HydrophobicContact CB-CE1 3.99Å; M325-Y372 HydrophobicContact CB-CG 4.03Å; M325-Y372 HydrophobicContact CG-CD1 3.93Å; M325-Y372 HydrophobicContact CG-CD2 4.28Å; M325-Y372 HydrophobicContact CG-CE1 3.57Å; M325-Y372 HydrophobicContact CG-CE2 3.95Å; M325-Y372 HydrophobicContact CG-CG 4.26Å; M325-Y372 HydrophobicContact SD-CD2 4.28Å; M325-Y372 HydrophobicContact SD-CE2 3.83Å; Y372-P374 HydrophobicContact CE1-CB 3.9Å; Y372-R377 HydrophobicContact CE2-CB 4.44Å; Y372-L379 HydrophobicContact CD2-CD2 4.19Å; Y372-L379 HydrophobicContact CG-CD2 4.48Å
373N97.3Very high96.3Very high5 Ų533.8 Ų33.83%0.02716%0.155CC..EExtended strand (participates in β ladder)trans-110.6114.2171-166.8-43.6000109.9Q146 K375 R377 R378 Y380Q146-N373 PolarHBondContact O-ND2 2.79Å; N373-K375 PolarHBondContact O-N 3.2Å; N373-K375 WeakPolarHBondContact OD1-CB 3.47Å; N373-K375 PolarHBondContact OD1-N 2.97Å; N373-R377 VanDerWaalsContact O-CA 3.32Å; N373-R377 WeakPolarHBondContact O-CA 3.44Å; N373-R377 PolarHBondContact O-N 2.9Å; N373-R378 PolarHBondContact N-O 3.18Å; N373-R378 PolarHBondContact O-N 3.07Å; N373-Y380 HydrophobicContact CB-CD2 3.84Å; N373-Y380 HydrophobicContact CB-CE2 3.65Å
374P95.7Very high96.2Very high23 Ų2334.3 Ų34.315%0.14916%0.155CC..THydrogen-bonded Turntrans-68.1-22-178.628.6-36.9000113.2A148 E277 Y372A148-P374 HydrophobicContact CB-CG 4.39Å; E277-P374 HydrophobicContact CG-CB 4.24Å; Y372-P374 HydrophobicContact CE1-CB 3.9Å
375K94.1Very high96Very high74 Ų7430.8 Ų30.832%0.32214%0.142SC..THydrogen-bonded Turntrans-65.2-45.3-176.8-174.1-156.8176.1-175.70112.5P150 S155 N373P150-K375 HydrophobicContact CG-CD 3.67Å; P150-K375 VanDerWaalsContact CG-CE 3.48Å; P150-K375 HydrophobicContact CG-CG 4.42Å; S155-K375 PolarHBondContact O-NZ 3.18Å; S155-K375 PolarHBondContact OG-NZ 2.94Å; N373-K375 PolarHBondContact O-N 3.2Å; N373-K375 WeakPolarHBondContact OD1-CB 3.47Å; N373-K375 PolarHBondContact OD1-N 2.97Å
376D94.2Very high96.1Very high40 Ų4024.4 Ų24.421%0.21412%0.119CC..THydrogen-bonded Turntrans-115.63.5-178.276.5-18.9000113.2R378 Y380D376-R378 VanDerWaalsContact C-N 3.29Å; D376-R378 PolarHBondContact O-N 2.88Å; D376-R378 WeakPolarHBondContact OD1-CB 3.48Å; D376-R378 PolarHBondContact OD1-N 2.81Å; D376-R378 WeakPolarHBondContact OD2-CD 3.43Å; D376-R378 WeakPolarHBondContact OD2-CG 3.23Å; D376-R378 IonicContact OD2-CZ 3.87Å; D376-R378 IonicContact OD2-NE 2.67Å; D376-R378 IonicContact OD2-NH1 3.27Å; D376-R378 PolarHBondContact OD2-NH1 3.11Å; D376-Y380 WeakPolarHBondContact OD1-CE2 3Å; D376-Y380 PolarHBondContact OD2-OH 2.77Å
377R94.9Very high96.2Very high115 Ų11522.1 Ų22.143%0.43410%0.103SC..THydrogen-bonded Turntrans55.142.5178.2-57.1-179.6174.6-174.2-10.7112.7Y372 N373 V392 E397Y372-R377 HydrophobicContact CE2-CB 4.44Å; N373-R377 VanDerWaalsContact O-CA 3.32Å; N373-R377 WeakPolarHBondContact O-CA 3.44Å; N373-R377 PolarHBondContact O-N 2.9Å; R377-V392 PolarHBondContact O-N 3.1Å; R377-V392 VanDerWaalsContact O-N 3.07Å; R377-E397 IonicContact CZ-OE1 3.43Å; R377-E397 VanDerWaalsContact NH1-CD 3.31Å; R377-E397 IonicContact NH1-OE1 3.07Å; R377-E397 PolarHBondContact NH1-OE1 2.72Å; R377-E397 IonicContact NH1-OE2 2.65Å; R377-E397 PolarHBondContact NH1-OE2 3.38Å; R377-E397 IonicContact NH2-OE1 2.96Å
378R97.2Very high96.3Very high89 Ų8922 Ų2234%0.33610%0.102SC..EExtended strand (participates in β ladder)trans-116.2149177.1-62.2-165.8173.6111.3-6.8111.8N373 D376 Y380 T390N373-R378 PolarHBondContact N-O 3.18Å; N373-R378 PolarHBondContact O-N 3.07Å; D376-R378 VanDerWaalsContact C-N 3.29Å; D376-R378 PolarHBondContact O-N 2.88Å; D376-R378 WeakPolarHBondContact OD1-CB 3.48Å; D376-R378 PolarHBondContact OD1-N 2.81Å; D376-R378 WeakPolarHBondContact OD2-CD 3.43Å; D376-R378 WeakPolarHBondContact OD2-CG 3.23Å; D376-R378 IonicContact OD2-CZ 3.87Å; D376-R378 IonicContact OD2-NE 2.67Å; D376-R378 IonicContact OD2-NH1 3.27Å; D376-R378 PolarHBondContact OD2-NH1 3.11Å; R378-Y380 HydrophobicContact CB-CD2 4.24Å; R378-Y380 HydrophobicContact CB-CE2 3.84Å; R378-T390 WeakPolarHBondContact CA-O 3.27Å
379L98.2Very high96.6Very high0 Ų022 Ų220%010%0.102CC..EExtended strand (participates in β ladder)trans-88.7117162.2-69.9165.5000108.2V127 F323 W360 L370 N371 Y372 S389 T390 V392V127-L379 HydrophobicContact CG2-CD1 4.43Å; F323-L379 HydrophobicContact CB-CD2 4.29Å; F323-L379 HydrophobicContact CD1-CD2 3.84Å; F323-L379 HydrophobicContact CD2-CD2 3.56Å; F323-L379 HydrophobicContact CE1-CD1 4.13Å; F323-L379 HydrophobicContact CE1-CD2 3.98Å; F323-L379 HydrophobicContact CE2-CD1 4.36Å; F323-L379 HydrophobicContact CE2-CD2 3.71Å; F323-L379 HydrophobicContact CG-CD2 3.62Å; F323-L379 HydrophobicContact CZ-CD1 3.91Å; F323-L379 HydrophobicContact CZ-CD2 3.91Å; W360-L379 HydrophobicContact CH2-CB 4.46Å; W360-L379 HydrophobicContact CH2-CD1 4.48Å; W360-L379 HydrophobicContact CZ3-CB 4.47Å; W360-L379 HydrophobicContact CZ3-CD1 3.77Å; L370-L379 HydrophobicContact CD1-CB 3.86Å; L370-L379 HydrophobicContact CD1-CD1 4.43Å; L370-L379 HydrophobicContact CD1-CD2 4.01Å; L370-L379 HydrophobicContact CD1-CG 4.31Å; N371-L379 CarbonylContact O-C 3.45Å; N371-L379 WeakPolarHBondContact O-CA 3.35Å; Y372-L379 HydrophobicContact CD2-CD2 4.19Å; Y372-L379 HydrophobicContact CG-CD2 4.48Å; L379-S389 CarbonylContact O-C 3.52Å; L379-S389 WeakPolarHBondContact O-CA 3.32Å; L379-T390 HydrophobicContact CB-CG2 3.83Å; L379-T390 HydrophobicContact CD1-CG2 4.42Å; L379-T390 PolarHBondContact N-O 3.12Å; L379-T390 PolarHBondContact O-N 3.28Å; L379-V392 HydrophobicContact CB-CG2 4.43Å; L379-V392 HydrophobicContact CD1-CG2 3.58Å; L379-V392 HydrophobicContact CG-CG2 3.58Å
380Y98.2Very high96.7Very high4 Ų421.8 Ų21.82%0.01610%0.101CC..EExtended strand (participates in β ladder)trans-88.8134.3169.6-72.4-104.6000107.9W144 Q146 M369 L370 N371 N373 D376 R378W144-Y380 HydrophobicContact CD2-CD1 4.05Å; W144-Y380 AromaticContact CE2-CD1 3.7Å; W144-Y380 HydrophobicContact CE3-CD1 4.06Å; W144-Y380 HydrophobicContact CE3-CE1 4.32Å; W144-Y380 AromaticContact CH2-CD1 3.39Å; W144-Y380 HydrophobicContact CH2-CD1 3.39Å; W144-Y380 AromaticContact CH2-CE1 3.41Å; W144-Y380 HydrophobicContact CH2-CE1 3.41Å; W144-Y380 VanDerWaalsContact CH2-CE1 3.41Å; W144-Y380 AromaticContact CZ2-CD1 3.36Å; W144-Y380 HydrophobicContact CZ2-CD1 3.36Å; W144-Y380 AromaticContact CZ2-CE1 3.9Å; W144-Y380 HydrophobicContact CZ2-CE1 3.9Å; W144-Y380 HydrophobicContact CZ2-CG 4.33Å; W144-Y380 AromaticContact CZ3-CD1 3.76Å; W144-Y380 HydrophobicContact CZ3-CD1 3.76Å; W144-Y380 AromaticContact CZ3-CE1 3.67Å; W144-Y380 HydrophobicContact CZ3-CE1 3.67Å; Q146-Y380 PolarHBondContact OE1-OH 3.47Å; M369-Y380 VanDerWaalsContact SD-O 3.34Å; L370-Y380 CarbonylContact C-O 3.59Å; L370-Y380 WeakPolarHBondContact CA-O 3.31Å; N371-Y380 PolarHBondContact N-O 3.26Å; N371-Y380 PolarHBondContact O-N 2.92Å; N373-Y380 HydrophobicContact CB-CD2 3.84Å; N373-Y380 HydrophobicContact CB-CE2 3.65Å; D376-Y380 WeakPolarHBondContact OD1-CE2 3Å; D376-Y380 PolarHBondContact OD2-OH 2.77Å; R378-Y380 HydrophobicContact CB-CD2 4.24Å; R378-Y380 HydrophobicContact CB-CE2 3.84Å
381F97.6Very high96.7Very high0 Ų024.5 Ų24.50%012%0.119CC..EExtended strand (participates in β ladder)trans-147.8155.7178.968.1-78.4000111.4P130 W144 W360 T367 M369 L370 D383 L388 T390P130-F381 HydrophobicContact CB-CE1 4.41Å; P130-F381 HydrophobicContact CB-CZ 3.87Å; P130-F381 HydrophobicContact CG-CZ 4.01Å; W144-F381 PolarHBondContact NE1-O 2.77Å; W360-F381 AromaticContact CH2-CD1 3.92Å; W360-F381 HydrophobicContact CH2-CD1 3.92Å; W360-F381 HydrophobicContact CH2-CE1 4.16Å; W360-F381 HydrophobicContact CH2-CG 4.14Å; W360-F381 HydrophobicContact CZ2-CB 4.4Å; W360-F381 HydrophobicContact CZ2-CD1 4.14Å; W360-F381 HydrophobicContact CZ2-CD2 4.01Å; W360-F381 HydrophobicContact CZ2-CE1 4.33Å; W360-F381 HydrophobicContact CZ2-CE2 4.18Å; W360-F381 AromaticContact CZ2-CG 3.96Å; W360-F381 HydrophobicContact CZ2-CG 3.96Å; W360-F381 HydrophobicContact CZ2-CZ 4.33Å; T367-F381 HydrophobicContact CG2-CB 4.42Å; T367-F381 HydrophobicContact CG2-CD2 4.43Å; M369-F381 CarbonylContact O-C 3.56Å; M369-F381 WeakPolarHBondContact O-CA 2.86Å; M369-F381 WeakPolarHBondContact O-CB 3.48Å; L370-F381 HydrophobicContact CB-CB 4.38Å; L370-F381 HydrophobicContact CD1-CB 3.95Å; F381-D383 HydrophobicContact CD2-CB 4.12Å; F381-D383 HydrophobicContact CE2-CB 4.16Å; F381-L388 HydrophobicContact CD1-CB 3.87Å; F381-L388 WeakPolarHBondContact CD1-O 3.24Å; F381-L388 HydrophobicContact CD2-CB 3.97Å; F381-L388 HydrophobicContact CD2-CD1 4.07Å; F381-L388 HydrophobicContact CE1-CB 3.47Å; F381-L388 VanDerWaalsContact CE1-CB 3.47Å; F381-L388 HydrophobicContact CE2-CB 3.61Å; F381-L388 HydrophobicContact CE2-CD1 3.27Å; F381-L388 HydrophobicContact CE2-CG 4.08Å; F381-L388 HydrophobicContact CG-CB 4.11Å; F381-L388 HydrophobicContact CZ-CB 3.35Å; F381-L388 HydrophobicContact CZ-CD1 3.55Å; F381-L388 HydrophobicContact CZ-CG 4.1Å; F381-L388 PolarHBondContact N-O 3.43Å; F381-L388 PolarHBondContact O-N 3.21Å; F381-T390 HydrophobicContact CE1-CG2 4.19Å
382F96.3Very high96.6Very high0 Ų024.5 Ų24.50%012%0.119CC..EExtended strand (participates in β ladder)trans-118123.1-180-164.4-75.2000107.7S136 E140 G142 T367 T368 M369 G385 N386 L387S136-F382 VanDerWaalsContact CB-CZ 3.48Å; E140-F382 VanDerWaalsContact O-CE1 3.31Å; E140-F382 WeakPolarHBondContact O-CE1 3.34Å; G142-F382 WeakPolarHBondContact O-CB 3.38Å; G142-F382 WeakPolarHBondContact O-CG 3.5Å; T367-F382 CarbonylContact C-O 3.52Å; T367-F382 VanDerWaalsContact CA-O 3.26Å; T367-F382 WeakPolarHBondContact CA-O 3.4Å; T368-F382 PolarHBondContact N-O 2.96Å; T368-F382 WeakPolarHBondContact OG1-CD1 3.4Å; M369-F382 HydrophobicContact CB-CB 3.95Å; M369-F382 PolarHBondContact O-N 3.45Å; F382-G385 VanDerWaalsContact CE1-N 3.28Å; F382-N386 CarbonylContact C-O 3.57Å; F382-N386 WeakPolarHBondContact CA-O 3.4Å; F382-L387 HydrophobicContact CD2-CD1 3.93Å; F382-L387 HydrophobicContact CD2-CG 4.05Å; F382-L387 HydrophobicContact CE2-CD1 3.5Å; F382-L387 VanDerWaalsContact CE2-CD1 3.5Å; F382-L387 HydrophobicContact CE2-CG 4.08Å; F382-L387 HydrophobicContact CZ-CD1 4.28Å
383D96.3Very high96.4Very high0 Ų029.2 Ų29.20%014%0.137CC..EExtended strand (participates in β ladder)trans-133.6105.4-172.1-171.33.9000110.3N362 P363 F364 R365 S366 T367 F381 G385 N386 L388N362-D383 VanDerWaalsContact C-OD2 3.27Å; P363-D383 VanDerWaalsContact CD-OD2 3.23Å; P363-D383 WeakPolarHBondContact CD-OD2 3.18Å; P363-D383 VanDerWaalsContact N-OD2 3.12Å; F364-D383 WeakPolarHBondContact CA-OD2 3.39Å; F364-D383 HydrophobicContact CB-CB 4.34Å; F364-D383 HydrophobicContact CD2-CB 4.28Å; F364-D383 PolarHBondContact N-OD2 3.46Å; R365-D383 PolarHBondContact N-OD1 2.93Å; R365-D383 VanDerWaalsContact N-OD1 3.15Å; S366-D383 WeakPolarHBondContact CA-OD1 3.29Å; S366-D383 PolarHBondContact N-OD1 2.87Å; S366-D383 WeakPolarHBondContact O-CA 3.41Å; T367-D383 PolarHBondContact N-OD1 3.14Å; F381-D383 HydrophobicContact CD2-CB 4.12Å; F381-D383 HydrophobicContact CE2-CB 4.16Å; D383-G385 PolarHBondContact O-N 3.45Å; D383-N386 PolarHBondContact N-O 2.82Å; D383-N386 VanDerWaalsContact O-CB 3.24Å; D383-N386 WeakPolarHBondContact O-CB 3.46Å; D383-N386 PolarHBondContact O-N 3.47Å; D383-N386 PolarHBondContact O-ND2 2.69Å; D383-L388 HydrophobicContact CB-CD1 3.81Å
384N95Very high96.2Very high59 Ų5929.3 Ų29.332%0.31614%0.138SC..THydrogen-bonded Turntrans48.650.9-178-161.128.8000114.4F364 S366 N386F364-N384 HydrophobicContact CB-CB 3.72Å; S366-N384 PolarHBondContact O-N 3.43Å; N384-N386 VanDerWaalsContact C-N 3.29Å; N384-N386 PolarHBondContact O-N 2.88Å; N384-N386 PolarHBondContact O-ND2 3.35Å; N384-N386 VanDerWaalsContact O-ND2 3.1Å
385G94.5Very high95.9Very high9 Ų932 Ų329%0.09315%0.148CC..THydrogen-bonded Turntrans84.3-6.7-176.300000114.9E135 S136 E140 F382 D383E135-G385 CarbonylContact C-O 3.51Å; E135-G385 WeakPolarHBondContact CA-O 3.2Å; S136-G385 WeakPolarHBondContact CB-O 3.38Å; S136-G385 PolarHBondContact N-O 3.39Å; E140-G385 PolarHBondContact O-N 2.78Å; E140-G385 VanDerWaalsContact O-N 3.17Å; F382-G385 VanDerWaalsContact CE1-N 3.28Å; D383-G385 PolarHBondContact O-N 3.45Å
386N97.1Very high95.1Very high14 Ų1436 Ų368%0.07517%0.173CC..EExtended strand (participates in β ladder)trans-98.7131.7-177.9-55.7-81.9000111.2F132 F364 F382 D383 N384 L388F132-N386 HydrophobicContact CD2-CB 4.36Å; F132-N386 HydrophobicContact CE2-CB 4.18Å; F364-N386 VanDerWaalsContact CD1-ND2 3.3Å; F364-N386 WeakPolarHBondContact CD1-ND2 3.5Å; F364-N386 HydrophobicContact CD2-CB 3.8Å; F364-N386 WeakPolarHBondContact CD2-ND2 3.37Å; F364-N386 HydrophobicContact CE2-CB 3.63Å; F364-N386 HydrophobicContact CG-CB 4.43Å; F364-N386 WeakPolarHBondContact CG-ND2 3.39Å; F364-N386 HydrophobicContact CZ-CB 4.12Å; F382-N386 CarbonylContact C-O 3.57Å; F382-N386 WeakPolarHBondContact CA-O 3.4Å; D383-N386 PolarHBondContact N-O 2.82Å; D383-N386 VanDerWaalsContact O-CB 3.24Å; D383-N386 WeakPolarHBondContact O-CB 3.46Å; D383-N386 PolarHBondContact O-N 3.47Å; D383-N386 PolarHBondContact O-ND2 2.69Å; N384-N386 VanDerWaalsContact C-N 3.29Å; N384-N386 PolarHBondContact O-N 2.88Å; N384-N386 PolarHBondContact O-ND2 3.35Å; N384-N386 VanDerWaalsContact O-ND2 3.1Å; N386-L388 HydrophobicContact CB-CD2 4.49Å; N386-L388 HydrophobicContact CB-CG 4.25Å
387L97.5Very high93.7Very high1 Ų137.9 Ų37.91%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-91.2110.9177.8-72.268.6000108.1H133 S134 W144 V160 L178 F382H133-L387 WeakPolarHBondContact CB-O 3.34Å; H133-L387 PolarHBondContact N-O 3.24Å; S134-L387 PolarHBondContact N-O 3.45Å; S134-L387 WeakPolarHBondContact O-CB 3.48Å; S134-L387 PolarHBondContact O-N 3.3Å; W144-L387 HydrophobicContact CB-CD2 3.52Å; W144-L387 HydrophobicContact CB-CG 3.84Å; W144-L387 HydrophobicContact CD2-CB 3.73Å; W144-L387 HydrophobicContact CD2-CD2 3.84Å; W144-L387 HydrophobicContact CD2-CG 3.92Å; W144-L387 HydrophobicContact CE3-CB 4.31Å; W144-L387 HydrophobicContact CE3-CD2 4.06Å; W144-L387 HydrophobicContact CG-CB 3.85Å; W144-L387 HydrophobicContact CG-CD2 3.61Å; W144-L387 HydrophobicContact CG-CG 3.54Å; W144-L387 HydrophobicContact CZ2-CB 4.27Å; V160-L387 HydrophobicContact CG2-CD2 3.8Å; L178-L387 HydrophobicContact CD1-CD2 3.97Å; L178-L387 HydrophobicContact CD2-CD2 4.03Å; L178-L387 HydrophobicContact CG-CD2 4.39Å; F382-L387 HydrophobicContact CD2-CD1 3.93Å; F382-L387 HydrophobicContact CD2-CG 4.05Å; F382-L387 HydrophobicContact CE2-CD1 3.5Å; F382-L387 VanDerWaalsContact CE2-CD1 3.5Å; F382-L387 HydrophobicContact CE2-CG 4.08Å; F382-L387 HydrophobicContact CZ-CD1 4.28Å
388L98Very high91.1Very high4 Ų445.6 Ų45.62%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-128.4148.6-171-61.2174.2000111.4V131 F132 W144 P363 F364 F381 D383 N386V131-L388 CarbonylContact O-C 3.59Å; V131-L388 VanDerWaalsContact O-CA 3.27Å; V131-L388 WeakPolarHBondContact O-CA 3.22Å; F132-L388 HydrophobicContact CB-CD2 3.78Å; F132-L388 HydrophobicContact CD2-CD2 3.84Å; F132-L388 HydrophobicContact CG-CD2 4.28Å; W144-L388 VanDerWaalsContact CZ2-C 3.46Å; W144-L388 WeakPolarHBondContact CZ2-O 3.1Å; W144-L388 PolarHBondContact NE1-O 2.84Å; P363-L388 HydrophobicContact CG-CD1 4.15Å; F364-L388 HydrophobicContact CD2-CD1 3.86Å; F364-L388 HydrophobicContact CE2-CD1 3.88Å; F364-L388 HydrophobicContact CE2-CD2 4.19Å; F364-L388 HydrophobicContact CE2-CG 4.47Å; F381-L388 HydrophobicContact CD1-CB 3.87Å; F381-L388 WeakPolarHBondContact CD1-O 3.24Å; F381-L388 HydrophobicContact CD2-CB 3.97Å; F381-L388 HydrophobicContact CD2-CD1 4.07Å; F381-L388 HydrophobicContact CE1-CB 3.47Å; F381-L388 VanDerWaalsContact CE1-CB 3.47Å; F381-L388 HydrophobicContact CE2-CB 3.61Å; F381-L388 HydrophobicContact CE2-CD1 3.27Å; F381-L388 HydrophobicContact CE2-CG 4.08Å; F381-L388 HydrophobicContact CG-CB 4.11Å; F381-L388 HydrophobicContact CZ-CB 3.35Å; F381-L388 HydrophobicContact CZ-CD1 3.55Å; F381-L388 HydrophobicContact CZ-CG 4.1Å; F381-L388 PolarHBondContact N-O 3.43Å; F381-L388 PolarHBondContact O-N 3.21Å; D383-L388 HydrophobicContact CB-CD1 3.81Å; N386-L388 HydrophobicContact CB-CD2 4.49Å; N386-L388 HydrophobicContact CB-CG 4.25Å
389S97.9Very high90.8Very high1 Ų143.5 Ų43.51%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-132.4155.1170.975.10000110.8V131 H133 L379V131-S389 PolarHBondContact N-O 3.36Å; V131-S389 PolarHBondContact O-N 3.34Å; H133-S389 PolarHBondContact NE2-OG 3.41Å; L379-S389 CarbonylContact O-C 3.52Å; L379-S389 WeakPolarHBondContact O-CA 3.32Å
390T97.8Very high90.4Very high0 Ų045.7 Ų45.70%022%0.222CC..EExtended strand (participates in β ladder)trans-137.5135.1171.1-177.10000110.7V127 G128 W360 R378 L379 F381V127-T390 HydrophobicContact CG1-CG2 3.46Å; V127-T390 VanDerWaalsContact CG1-CG2 3.46Å; V127-T390 WeakPolarHBondContact CG1-OG1 3.42Å; G128-T390 WeakPolarHBondContact CA-OG1 3.45Å; G128-T390 PolarHBondContact N-OG1 3.03Å; G128-T390 PolarHBondContact O-OG1 2.92Å; W360-T390 HydrophobicContact CH2-CG2 3.98Å; W360-T390 HydrophobicContact CZ3-CG2 3.79Å; R378-T390 WeakPolarHBondContact CA-O 3.27Å; L379-T390 HydrophobicContact CB-CG2 3.83Å; L379-T390 HydrophobicContact CD1-CG2 4.42Å; L379-T390 PolarHBondContact N-O 3.12Å; L379-T390 PolarHBondContact O-N 3.28Å; F381-T390 HydrophobicContact CE1-CG2 4.19Å
391P97.1Very high89.9Confident58 Ų5848.1 Ų48.138%0.37723%0.234SC..EExtended strand (participates in β ladder)trans-69.2145.7175.629.6-33.1000110.6G128G128-P391 WeakPolarHBondContact CA-O 3.47Å; G128-P391 PolarHBondContact N-O 2.96Å
392V95.9Very high89.5Confident16 Ų1650.9 Ų50.910%0.09725%0.248CC..EExtended strand (participates in β ladder)trans-107.2139.4175.4-177.50000109.7I124 M325 R377 L379I124-V392 HydrophobicContact CB-CG1 4.48Å; I124-V392 HydrophobicContact CD1-CG1 3.6Å; I124-V392 HydrophobicContact CG1-CG1 3.58Å; M325-V392 HydrophobicContact CE-CG1 4.38Å; M325-V392 HydrophobicContact SD-CG1 3.82Å; R377-V392 PolarHBondContact O-N 3.1Å; R377-V392 VanDerWaalsContact O-N 3.07Å; L379-V392 HydrophobicContact CB-CG2 4.43Å; L379-V392 HydrophobicContact CD1-CG2 3.58Å; L379-V392 HydrophobicContact CG-CG2 3.58Å
393R93.8Very high89.1Confident101 Ų10154.1 Ų54.138%0.38126%0.263SS..EExtended strand (participates in β ladder)trans-111.9131.4168.5-167.5174.969.584.20.7109.4E125 K126E125-R393 VanDerWaalsContact CD-NH1 3.26Å; E125-R393 PolarHBondContact N-O 3.27Å; E125-R393 IonicContact OE1-CZ 2.89Å; E125-R393 IonicContact OE1-NH1 2.62Å; E125-R393 PolarHBondContact OE1-NH1 3.18Å; E125-R393 IonicContact OE1-NH2 3.34Å; E125-R393 PolarHBondContact OE1-NH2 3.39Å; E125-R393 IonicContact OE2-CZ 3.81Å; E125-R393 IonicContact OE2-NH1 3.4Å; E125-R393 PolarHBondContact OE2-NH1 3.24Å; E125-R393 IonicContact OE2-NH2 3.96Å; E125-R393 PolarHBondContact OE2-NH2 2.79Å; K126-R393 PolarHBondContact N-O 2.71Å; K126-R393 VanDerWaalsContact N-O 3.11Å; K126-R393 PolarHBondContact O-N 3.41Å
394V92.6Very high88.6Confident8 Ų857.7 Ų57.75%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-98.7157.4179.6-510000110.7C122 I123 M325 E397C122-V394 HydrophobicContact CB-CB 4.31Å; C122-V394 HydrophobicContact CB-CG1 4.37Å; I123-V394 CarbonylContact O-C 3.55Å; I123-V394 VanDerWaalsContact O-CA 3.26Å; I123-V394 WeakPolarHBondContact O-CA 3.46Å; I123-V394 WeakPolarHBondContact O-CB 3.29Å; M325-V394 HydrophobicContact CE-CG1 3.98Å; M325-V394 HydrophobicContact SD-CG1 4.25Å; V394-E397 HydrophobicContact CG2-CB 3.98Å; V394-E397 HydrophobicContact CG2-CG 3.37Å; V394-E397 WeakPolarHBondContact CG2-OE1 3.33Å; V394-E397 WeakPolarHBondContact CG2-OE2 3.14Å
395Q89.1Confident88.1Confident78 Ų7857.6 Ų57.636%0.36428%0.278SS..THydrogen-bonded Turntrans-64.8145.6174.4-64.5-178.38.900110.1I123 E125 E397I123-Q395 HydrophobicContact CB-CG 4.41Å; I123-Q395 HydrophobicContact CG2-CG 4.5Å; I123-Q395 PolarHBondContact O-N 3.19Å; E125-Q395 HydrophobicContact CB-CG 3.68Å; E125-Q395 HydrophobicContact CG-CG 3.95Å; Q395-E397 PolarHBondContact O-N 3.03Å
396N77.3Confident87.6Confident158 Ų15861.3 Ų61.385%0.84529%0.293SS*.THydrogen-bonded Turntrans68.67.7178.5-51.7-41.4000116.4
397E65.7Low86.8Confident80 Ų8065.3 Ų65.337%0.37431%0.311SS..  trans-82.7113162.9-81-177178.300109.8R377 V394 Q395R377-E397 IonicContact CZ-OE1 3.43Å; R377-E397 VanDerWaalsContact NH1-CD 3.31Å; R377-E397 IonicContact NH1-OE1 3.07Å; R377-E397 PolarHBondContact NH1-OE1 2.72Å; R377-E397 IonicContact NH1-OE2 2.65Å; R377-E397 PolarHBondContact NH1-OE2 3.38Å; R377-E397 IonicContact NH2-OE1 2.96Å; V394-E397 HydrophobicContact CG2-CB 3.98Å; V394-E397 HydrophobicContact CG2-CG 3.37Å; V394-E397 WeakPolarHBondContact CG2-OE1 3.33Å; V394-E397 WeakPolarHBondContact CG2-OE2 3.14Å; Q395-E397 PolarHBondContact O-N 3.03Å
398K39.3Very low85.9Confident278 Ų27871.1 Ų71.1100%1.20934%0.338SS*.  trans-85.50176.7-82.6-172.6176.8178.90112.2

Retrieved 398 of 398 residues in 382.4 ms (Link to these results)

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