A0A087XMH8_POEFO Loading...

Fatty acid amide hydrolase 2b

AlphaFold DB , UniProt , Accession A0A087XMH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 527 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
1M46.8Very low70.5Confident202 Ų20295.5 Ų95.5100%0.99550%0.495SS*.  0145.30-91.7-177.3-93.100109.3
2A53.2Low71.7Confident85 Ų85102.2 Ų102.270%0.70251%0.509SS*.PPolyproline II helixtrans-67.4139173.200000109.7S4A2-S4 PolarHBondContact O-N 3.12Å
3L58.9Low72.9Confident23 Ų23102.1 Ų102.112%0.1251%0.511CS..PPolyproline II helixtrans-46.7139.1172.2-73.5176000110.5E7 K8 P314L3-E7 HydrophobicContact CB-CB 4.02Å; L3-E7 HydrophobicContact CD2-CB 3.77Å; L3-E7 HydrophobicContact CD2-CG 4.42Å; L3-E7 HydrophobicContact CG-CB 4.31Å; L3-K8 HydrophobicContact CB-CD 4.35Å; L3-K8 HydrophobicContact CB-CG 3.47Å; L3-K8 VanDerWaalsContact CB-CG 3.47Å; L3-K8 HydrophobicContact CD1-CG 4.02Å; L3-K8 HydrophobicContact CG-CG 4.42Å; L3-K8 WeakPolarHBondContact O-CE 3.41Å; L3-P314 HydrophobicContact CD1-CB 4.38Å; L3-P314 HydrophobicContact CD1-CG 4.23Å
4S73.8Confident73.7Confident56 Ų5698.4 Ų98.439%0.39249%0.49SS..PPolyproline II helixtrans-56157.9168.168.10000110.3A2 L6 E7 K8A2-S4 PolarHBondContact O-N 3.12Å; S4-L6 PolarHBondContact O-N 3.22Å; S4-E7 VanDerWaalsContact CB-OE2 3.27Å; S4-E7 WeakPolarHBondContact CB-OE2 3.24Å; S4-E7 PolarHBondContact N-OE2 2.77Å; S4-E7 PolarHBondContact O-N 2.96Å; S4-E7 WeakPolarHBondContact OG-CB 3.5Å; S4-E7 VanDerWaalsContact OG-CD 3.3Å; S4-E7 VanDerWaalsContact OG-CG 3.22Å; S4-E7 WeakPolarHBondContact OG-CG 3.32Å; S4-E7 PolarHBondContact OG-N 3.04Å; S4-E7 VanDerWaalsContact OG-N 3.16Å; S4-E7 PolarHBondContact OG-OE2 3.47Å; S4-K8 WeakPolarHBondContact O-CG 3.44Å; S4-K8 PolarHBondContact O-N 3.16Å
5R74.3Confident74.4Confident230 Ų23098.8 Ų98.887%0.86848%0.484SS*.Hα-helixtrans-56.3-34.9177.6-71-174.8177.5-173.1-0.4111.8A9R5-A9 WeakPolarHBondContact O-CB 3.26Å; R5-A9 PolarHBondContact O-N 3.38Å
6L74.9Confident75.2Confident117 Ų11795.1 Ų95.161%0.61347%0.474SS*.Hα-helixtrans-67.3-49.1176.7-176.265.4000111.9S4 K8 A9 Q10S4-L6 PolarHBondContact O-N 3.22Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 3.4Å; L6-A9 WeakPolarHBondContact O-CB 3.4Å; L6-A9 PolarHBondContact O-N 2.82Å; L6-A9 VanDerWaalsContact O-N 3.12Å; L6-Q10 WeakPolarHBondContact O-CG 3.17Å; L6-Q10 PolarHBondContact O-N 2.93Å
7E71.4Confident75.8Confident65 Ų6593.1 Ų93.130%0.30447%0.468SS..Hα-helixtrans-64-36.2178.5-70.4163.4129.900111.9L3 S4 Q10 A11L3-E7 HydrophobicContact CB-CB 4.02Å; L3-E7 HydrophobicContact CD2-CB 3.77Å; L3-E7 HydrophobicContact CD2-CG 4.42Å; L3-E7 HydrophobicContact CG-CB 4.31Å; S4-E7 VanDerWaalsContact CB-OE2 3.27Å; S4-E7 WeakPolarHBondContact CB-OE2 3.24Å; S4-E7 PolarHBondContact N-OE2 2.77Å; S4-E7 PolarHBondContact O-N 2.96Å; S4-E7 WeakPolarHBondContact OG-CB 3.5Å; S4-E7 VanDerWaalsContact OG-CD 3.3Å; S4-E7 VanDerWaalsContact OG-CG 3.22Å; S4-E7 WeakPolarHBondContact OG-CG 3.32Å; S4-E7 PolarHBondContact OG-N 3.04Å; S4-E7 VanDerWaalsContact OG-N 3.16Å; S4-E7 PolarHBondContact OG-OE2 3.47Å; E7-Q10 PolarHBondContact O-N 3.45Å; E7-A11 WeakPolarHBondContact O-CB 3.34Å; E7-A11 PolarHBondContact O-N 3.29Å
8K76.7Confident76.4Confident115 Ų11588.9 Ų88.950%0.545%0.448SS..Hα-helixtrans-62.6-43.4172.6-70.4-177.6179.3172.50111.5L3 S4 L6 W12L3-K8 HydrophobicContact CB-CD 4.35Å; L3-K8 HydrophobicContact CB-CG 3.47Å; L3-K8 VanDerWaalsContact CB-CG 3.47Å; L3-K8 HydrophobicContact CD1-CG 4.02Å; L3-K8 HydrophobicContact CG-CG 4.42Å; L3-K8 WeakPolarHBondContact O-CE 3.41Å; S4-K8 WeakPolarHBondContact O-CG 3.44Å; S4-K8 PolarHBondContact O-N 3.16Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 3.4Å; K8-W12 VanDerWaalsContact O-CB 3.3Å; K8-W12 WeakPolarHBondContact O-CB 3.5Å; K8-W12 PolarHBondContact O-N 3.46Å
9A82.7Confident76.9Confident55 Ų5587.2 Ų87.246%0.45545%0.445SS..Hα-helixtrans-65.6-43.1177.800000111.7R5 L6 W12 L13R5-A9 WeakPolarHBondContact O-CB 3.26Å; R5-A9 PolarHBondContact O-N 3.38Å; L6-A9 WeakPolarHBondContact O-CB 3.4Å; L6-A9 PolarHBondContact O-N 2.82Å; L6-A9 VanDerWaalsContact O-N 3.12Å; A9-W12 PolarHBondContact O-N 3.15Å; A9-L13 VanDerWaalsContact O-CB 3.32Å; A9-L13 WeakPolarHBondContact O-CB 3.3Å; A9-L13 PolarHBondContact O-N 3.05Å
10Q82.3Confident77.5Confident96 Ų9688.5 Ų88.545%0.44945%0.448SS..Hα-helixtrans-63.6-45.6175.8-73173.6-24.800112L6 E7 W12 L13 F14L6-Q10 WeakPolarHBondContact O-CG 3.17Å; L6-Q10 PolarHBondContact O-N 2.93Å; E7-Q10 PolarHBondContact O-N 3.45Å; Q10-W12 VanDerWaalsContact C-N 3.34Å; Q10-W12 PolarHBondContact O-N 2.94Å; Q10-L13 PolarHBondContact O-N 3.19Å; Q10-F14 WeakPolarHBondContact O-CB 3.49Å; Q10-F14 PolarHBondContact O-N 3.49Å
11A80.3Confident77.9Confident6 Ų689.6 Ų89.65%0.0545%0.45CS..Hα-helixtrans-59.5-44.6174.900000112.1E7 R15 P314E7-A11 WeakPolarHBondContact O-CB 3.34Å; E7-A11 PolarHBondContact O-N 3.29Å; A11-R15 WeakPolarHBondContact O-CB 3.36Å; A11-R15 VanDerWaalsContact O-CG 3.24Å; A11-R15 WeakPolarHBondContact O-CG 3.41Å; A11-R15 PolarHBondContact O-N 3.37Å; A11-P314 HydrophobicContact CB-CB 3.36Å; A11-P314 HydrophobicContact CB-CG 4.13Å
12W85.9Confident79.9Confident176 Ų17682 Ų8267%0.66741%0.411SS*.Hα-helixtrans-63.8-46.3176.7-179.489.2000111.2K8 A9 Q10 F14 R15 A16K8-W12 VanDerWaalsContact O-CB 3.3Å; K8-W12 WeakPolarHBondContact O-CB 3.5Å; K8-W12 PolarHBondContact O-N 3.46Å; A9-W12 PolarHBondContact O-N 3.15Å; Q10-W12 VanDerWaalsContact C-N 3.34Å; Q10-W12 PolarHBondContact O-N 2.94Å; W12-F14 PolarHBondContact O-N 3.16Å; W12-R15 PolarHBondContact O-N 2.98Å; W12-A16 HydrophobicContact CH2-CB 4.41Å; W12-A16 HydrophobicContact CZ3-CB 4.43Å; W12-A16 WeakPolarHBondContact O-CB 3.49Å; W12-A16 PolarHBondContact O-N 2.82Å
13L86.6Confident81.6Confident101 Ų10182.6 Ų82.653%0.52940%0.4SS..Hα-helixtrans-60.1-47.7177.5-179.663.9000111.1A9 Q10 R15 A16 V17A9-L13 VanDerWaalsContact O-CB 3.32Å; A9-L13 WeakPolarHBondContact O-CB 3.3Å; A9-L13 PolarHBondContact O-N 3.05Å; Q10-L13 PolarHBondContact O-N 3.19Å; L13-R15 VanDerWaalsContact C-N 3.34Å; L13-R15 PolarHBondContact O-N 2.94Å; L13-A16 PolarHBondContact O-N 2.89Å; L13-V17 HydrophobicContact CD1-CG2 3.93Å; L13-V17 HydrophobicContact CG-CG2 4.28Å; L13-V17 WeakPolarHBondContact O-CB 3.12Å; L13-V17 VanDerWaalsContact O-CG2 3.22Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 3.37Å
14F85Confident82.9Confident51 Ų5184.2 Ų84.222%0.22441%0.409CS..Hα-helixtrans-55.8-48175.6174.3-100.7000111.5Q10 W12 T18 Y315 F464Q10-F14 WeakPolarHBondContact O-CB 3.49Å; Q10-F14 PolarHBondContact O-N 3.49Å; W12-F14 PolarHBondContact O-N 3.16Å; F14-T18 HydrophobicContact CD2-CG2 4.1Å; F14-T18 HydrophobicContact CE1-CG2 4.2Å; F14-T18 HydrophobicContact CE2-CG2 3.69Å; F14-T18 HydrophobicContact CZ-CG2 3.74Å; F14-T18 WeakPolarHBondContact O-CB 3.44Å; F14-T18 VanDerWaalsContact O-CG2 3.31Å; F14-T18 WeakPolarHBondContact O-CG2 3.16Å; F14-T18 PolarHBondContact O-N 3.19Å; F14-T18 PolarHBondContact O-OG1 3.37Å; F14-Y315 AromaticContact CD1-CD1 3.87Å; F14-Y315 HydrophobicContact CD1-CD1 3.87Å; F14-Y315 HydrophobicContact CD1-CE1 4.41Å; F14-Y315 HydrophobicContact CE1-CD1 4.06Å; F14-Y315 HydrophobicContact CG-CD1 4.25Å; F14-Y315 HydrophobicContact CG-CE1 4.4Å; F14-F464 HydrophobicContact CE1-CD2 4.41Å; F14-F464 HydrophobicContact CE1-CE2 4.4Å; F14-F464 AromaticContact CE2-CE2 3.83Å; F14-F464 HydrophobicContact CE2-CE2 3.83Å; F14-F464 AromaticContact CZ-CD2 3.88Å; F14-F464 HydrophobicContact CZ-CD2 3.88Å; F14-F464 AromaticContact CZ-CE2 3.57Å; F14-F464 HydrophobicContact CZ-CE2 3.57Å
15R83.9Confident83.5Confident104 Ų10484.2 Ų84.239%0.39240%0.402SS..Hα-helixtrans-63.6-42.6177.9-73.3170.8177.4-161.7-6.9112.3A11 W12 L13 T18 S19 P314A11-R15 WeakPolarHBondContact O-CB 3.36Å; A11-R15 VanDerWaalsContact O-CG 3.24Å; A11-R15 WeakPolarHBondContact O-CG 3.41Å; A11-R15 PolarHBondContact O-N 3.37Å; W12-R15 PolarHBondContact O-N 2.98Å; L13-R15 VanDerWaalsContact C-N 3.34Å; L13-R15 PolarHBondContact O-N 2.94Å; R15-T18 WeakPolarHBondContact CA-OG1 3.42Å; R15-T18 PolarHBondContact O-OG1 2.97Å; R15-S19 WeakPolarHBondContact O-CB 3.11Å; R15-S19 PolarHBondContact O-N 3.27Å; R15-S19 PolarHBondContact O-OG 3.15Å; R15-P314 PolarHBondContact NE-O 3.08Å; R15-P314 VanDerWaalsContact NH2-CA 3.35Å; R15-P314 PolarHBondContact NH2-O 2.96Å; R15-P314 VanDerWaalsContact NH2-O 3.15Å
16A86.1Confident84Confident39 Ų3978.3 Ų78.332%0.32238%0.384SS..Hα-helixtrans-64.2-48179.300000111W12 L13 S19 F20W12-A16 HydrophobicContact CH2-CB 4.41Å; W12-A16 HydrophobicContact CZ3-CB 4.43Å; W12-A16 WeakPolarHBondContact O-CB 3.49Å; W12-A16 PolarHBondContact O-N 2.82Å; L13-A16 PolarHBondContact O-N 2.89Å; A16-S19 PolarHBondContact O-N 3Å; A16-F20 WeakPolarHBondContact O-CB 3.27Å; A16-F20 PolarHBondContact O-N 3.34Å
17V86.7Confident84.5Confident62 Ų6279.3 Ų79.338%0.37639%0.389SS..Hα-helixtrans-63.2-50.4179.51720000111.2L13 S19 F20 F21L13-V17 HydrophobicContact CD1-CG2 3.93Å; L13-V17 HydrophobicContact CG-CG2 4.28Å; L13-V17 WeakPolarHBondContact O-CB 3.12Å; L13-V17 VanDerWaalsContact O-CG2 3.22Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 3.37Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.33Å; V17-F20 PolarHBondContact O-N 3.2Å; V17-F21 HydrophobicContact CG1-CD2 3.7Å; V17-F21 HydrophobicContact CG1-CE2 3.61Å; V17-F21 VanDerWaalsContact O-CD2 3.23Å; V17-F21 WeakPolarHBondContact O-CD2 3.46Å; V17-F21 PolarHBondContact O-N 2.93Å
18T86.1Confident85.1Confident17 Ų1782.8 Ų82.810%0.10441%0.409CS..Hα-helixtrans-62.4-39.8178.749.80000112.2F14 R15 F22 F461F14-T18 HydrophobicContact CD2-CG2 4.1Å; F14-T18 HydrophobicContact CE1-CG2 4.2Å; F14-T18 HydrophobicContact CE2-CG2 3.69Å; F14-T18 HydrophobicContact CZ-CG2 3.74Å; F14-T18 WeakPolarHBondContact O-CB 3.44Å; F14-T18 VanDerWaalsContact O-CG2 3.31Å; F14-T18 WeakPolarHBondContact O-CG2 3.16Å; F14-T18 PolarHBondContact O-N 3.19Å; F14-T18 PolarHBondContact O-OG1 3.37Å; R15-T18 WeakPolarHBondContact CA-OG1 3.42Å; R15-T18 PolarHBondContact O-OG1 2.97Å; T18-F22 WeakPolarHBondContact O-CB 3.38Å; T18-F22 PolarHBondContact O-N 3.1Å; T18-F461 WeakPolarHBondContact CB-O 3.39Å; T18-F461 WeakPolarHBondContact CG2-O 3.37Å
19S85.9Confident85.1Confident57 Ų5779.8 Ų79.840%0.39940%0.403SS..Hα-helixtrans-67.9-38.3177.3-550000112.2R15 A16 V17 F22 M23R15-S19 WeakPolarHBondContact O-CB 3.11Å; R15-S19 PolarHBondContact O-N 3.27Å; R15-S19 PolarHBondContact O-OG 3.15Å; A16-S19 PolarHBondContact O-N 3Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.33Å; S19-F22 PolarHBondContact O-N 3.15Å; S19-M23 WeakPolarHBondContact O-CB 3.27Å; S19-M23 PolarHBondContact O-N 3.2Å
20F88.1Confident84.1Confident113 Ų11382.2 Ų82.250%0.49642%0.416SS..Hα-helixtrans-62.5-49.6175.7175-103.8000111.7A16 V17 F22 M23 I24A16-F20 WeakPolarHBondContact O-CB 3.27Å; A16-F20 PolarHBondContact O-N 3.34Å; V17-F20 PolarHBondContact O-N 3.2Å; F20-F22 VanDerWaalsContact C-N 3.33Å; F20-F22 PolarHBondContact O-N 3.48Å; F20-M23 HydrophobicContact CD2-CE 4.17Å; F20-M23 HydrophobicContact CE2-CE 4.44Å; F20-M23 PolarHBondContact O-N 2.86Å; F20-I24 HydrophobicContact CD1-CD1 3.9Å; F20-I24 HydrophobicContact CE1-CD1 3.37Å; F20-I24 HydrophobicContact CE2-CD1 4.14Å; F20-I24 HydrophobicContact CZ-CD1 3.52Å; F20-I24 HydrophobicContact CZ-CG1 4.47Å; F20-I24 WeakPolarHBondContact O-CG1 3.45Å; F20-I24 PolarHBondContact O-N 3.13Å
21F87.6Confident83Confident112 Ų11283.6 Ų83.649%0.49143%0.434SS..Hα-helixtrans-67.4-34.2177.5-74.8-66000112.7V17 I24 F25 F461V17-F21 HydrophobicContact CG1-CD2 3.7Å; V17-F21 HydrophobicContact CG1-CE2 3.61Å; V17-F21 VanDerWaalsContact O-CD2 3.23Å; V17-F21 WeakPolarHBondContact O-CD2 3.46Å; V17-F21 PolarHBondContact O-N 2.93Å; F21-I24 HydrophobicContact CD1-CD1 4.48Å; F21-I24 PolarHBondContact O-N 3.36Å; F21-F25 WeakPolarHBondContact O-CB 3.47Å; F21-F25 PolarHBondContact O-N 3.08Å; F21-F461 HydrophobicContact CB-CD1 4.18Å; F21-F461 HydrophobicContact CB-CE1 3.81Å
22F87.8Confident81.9Confident43 Ų4386 Ų8619%0.18945%0.454CS..Hα-helixtrans-63.9-42.4173.9-178.1-116.5000111.9T18 S19 F20 F25 Q26 H458 F461T18-F22 WeakPolarHBondContact O-CB 3.38Å; T18-F22 PolarHBondContact O-N 3.1Å; S19-F22 PolarHBondContact O-N 3.15Å; F20-F22 VanDerWaalsContact C-N 3.33Å; F20-F22 PolarHBondContact O-N 3.48Å; F22-F25 WeakPolarHBondContact O-CB 3.34Å; F22-F25 PolarHBondContact O-N 2.98Å; F22-Q26 HydrophobicContact CE1-CG 4.27Å; F22-Q26 HydrophobicContact CE2-CG 4.3Å; F22-Q26 HydrophobicContact CZ-CG 4.13Å; F22-Q26 WeakPolarHBondContact O-CG 3.3Å; F22-Q26 PolarHBondContact O-N 3.2Å; F22-H458 AromaticContact CE2-CD2 3.86Å; F22-H458 AromaticContact CE2-CE1 3.68Å; F22-H458 AromaticContact CE2-CG 3.8Å; F22-H458 AromaticContact CE2-ND1 3.7Å; F22-H458 AromaticContact CE2-NE2 3.77Å; F22-H458 AromaticContact CZ-CE1 3.62Å; F22-H458 AromaticContact CZ-ND1 3.76Å; F22-F461 HydrophobicContact CB-CB 4.3Å; F22-F461 HydrophobicContact CB-CD1 3.94Å; F22-F461 HydrophobicContact CB-CD2 4.31Å; F22-F461 HydrophobicContact CB-CE1 4.4Å; F22-F461 HydrophobicContact CB-CG 3.9Å; F22-F461 HydrophobicContact CD2-CB 4.39Å; F22-F461 AromaticContact CD2-CD2 3.48Å; F22-F461 HydrophobicContact CD2-CD2 3.48Å; F22-F461 VanDerWaalsContact CD2-CD2 3.48Å; F22-F461 AromaticContact CD2-CE2 3.85Å; F22-F461 HydrophobicContact CD2-CE2 3.85Å; F22-F461 AromaticContact CD2-CG 3.89Å; F22-F461 HydrophobicContact CD2-CG 3.89Å; F22-F461 HydrophobicContact CE2-CD2 4.26Å; F22-F461 HydrophobicContact CG-CD2 4.34Å; F22-F461 HydrophobicContact CG-CG 4.33Å
23M87.9Confident80.2Confident96 Ų9682 Ų8247%0.47346%0.458SS..Hα-helixtrans-61.1-44.5174.4-178.1-173.270.100111.4S19 F20 F25 Q26 L27S19-M23 WeakPolarHBondContact O-CB 3.27Å; S19-M23 PolarHBondContact O-N 3.2Å; F20-M23 HydrophobicContact CD2-CE 4.17Å; F20-M23 HydrophobicContact CE2-CE 4.44Å; F20-M23 PolarHBondContact O-N 2.86Å; M23-F25 VanDerWaalsContact C-N 3.34Å; M23-F25 PolarHBondContact O-N 3.39Å; M23-Q26 PolarHBondContact O-N 2.92Å; M23-L27 HydrophobicContact CG-CD1 4.41Å; M23-L27 WeakPolarHBondContact O-CG 3.49Å; M23-L27 PolarHBondContact O-N 3Å
24I86.6Confident78.6Confident58 Ų5882.5 Ų82.530%0.29747%0.47SS..Hα-helixtrans-59.9-46.1174.5-68.2171.1000110.8F20 F21 Q26 L27 L28F20-I24 HydrophobicContact CD1-CD1 3.9Å; F20-I24 HydrophobicContact CE1-CD1 3.37Å; F20-I24 HydrophobicContact CE2-CD1 4.14Å; F20-I24 HydrophobicContact CZ-CD1 3.52Å; F20-I24 HydrophobicContact CZ-CG1 4.47Å; F20-I24 WeakPolarHBondContact O-CG1 3.45Å; F20-I24 PolarHBondContact O-N 3.13Å; F21-I24 HydrophobicContact CD1-CD1 4.48Å; F21-I24 PolarHBondContact O-N 3.36Å; I24-Q26 VanDerWaalsContact C-N 3.32Å; I24-Q26 PolarHBondContact O-N 3.19Å; I24-L27 PolarHBondContact O-N 3.01Å; I24-L28 HydrophobicContact CG2-CD1 3.75Å; I24-L28 HydrophobicContact CG2-CG 4.32Å; I24-L28 WeakPolarHBondContact O-CG 3.45Å; I24-L28 PolarHBondContact O-N 2.97Å
25F87.1Confident77.5Confident55 Ų5583.3 Ų83.324%0.24149%0.486CS..Hα-helixtrans-57.9-44.3177.7173-96.3000111.8F21 F22 M23 L27 L28 S29 H457 H458 F461F21-F25 WeakPolarHBondContact O-CB 3.47Å; F21-F25 PolarHBondContact O-N 3.08Å; F22-F25 WeakPolarHBondContact O-CB 3.34Å; F22-F25 PolarHBondContact O-N 2.98Å; M23-F25 VanDerWaalsContact C-N 3.34Å; M23-F25 PolarHBondContact O-N 3.39Å; F25-L27 VanDerWaalsContact C-N 3.34Å; F25-L27 PolarHBondContact O-N 2.61Å; F25-L28 PolarHBondContact O-N 2.79Å; F25-S29 WeakPolarHBondContact CE1-OG 3.47Å; F25-S29 WeakPolarHBondContact O-CB 3.12Å; F25-S29 PolarHBondContact O-N 3.5Å; F25-S29 PolarHBondContact O-OG 3.12Å; F25-H457 HydrophobicContact CE2-CB 4.43Å; F25-H457 HydrophobicContact CZ-CB 4.09Å; F25-H458 AromaticContact CE1-CD2 3.91Å; F25-F461 HydrophobicContact CB-CE1 4.41Å; F25-F461 HydrophobicContact CB-CE2 4.05Å; F25-F461 HydrophobicContact CB-CZ 3.55Å; F25-F461 AromaticContact CD1-CE2 3.94Å; F25-F461 HydrophobicContact CD1-CE2 3.94Å; F25-F461 HydrophobicContact CD1-CZ 4.3Å; F25-F461 HydrophobicContact CD2-CE2 4.35Å; F25-F461 HydrophobicContact CD2-CZ 4.17Å; F25-F461 AromaticContact CG-CE2 3.84Å; F25-F461 HydrophobicContact CG-CE2 3.84Å; F25-F461 AromaticContact CG-CZ 3.75Å; F25-F461 HydrophobicContact CG-CZ 3.75Å
26Q84.8Confident77.3Confident106 Ų10687.3 Ų87.350%0.49550%0.501SS..Hα-helixtrans-62.8-38.8176.4-73.5-172.3-2700112.8F22 M23 I24 L28 S29F22-Q26 HydrophobicContact CE1-CG 4.27Å; F22-Q26 HydrophobicContact CE2-CG 4.3Å; F22-Q26 HydrophobicContact CZ-CG 4.13Å; F22-Q26 WeakPolarHBondContact O-CG 3.3Å; F22-Q26 PolarHBondContact O-N 3.2Å; M23-Q26 PolarHBondContact O-N 2.92Å; I24-Q26 VanDerWaalsContact C-N 3.32Å; I24-Q26 PolarHBondContact O-N 3.19Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 PolarHBondContact O-N 3.41Å; Q26-S29 PolarHBondContact O-N 3.37Å
27L85.3Confident77.4Confident138 Ų13893.1 Ų93.172%0.72352%0.519SS*.Hα-helixtrans-67.7-31.9177.5-70.5169.7000113M23 I24 F25M23-L27 HydrophobicContact CG-CD1 4.41Å; M23-L27 WeakPolarHBondContact O-CG 3.49Å; M23-L27 PolarHBondContact O-N 3Å; I24-L27 PolarHBondContact O-N 3.01Å; F25-L27 VanDerWaalsContact C-N 3.34Å; F25-L27 PolarHBondContact O-N 2.61Å
28L83.2Confident77.8Confident139 Ų13990.5 Ų90.573%0.72850%0.503SS*.Hα-helixtrans-88.6-18.1179.7-64.3176.2000113.2I24 F25 Q26I24-L28 HydrophobicContact CG2-CD1 3.75Å; I24-L28 HydrophobicContact CG2-CG 4.32Å; I24-L28 WeakPolarHBondContact O-CG 3.45Å; I24-L28 PolarHBondContact O-N 2.97Å; F25-L28 PolarHBondContact O-N 2.79Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 PolarHBondContact O-N 3.41Å
29S78.2Confident78.2Confident51 Ų5191.1 Ų91.136%0.35751%0.508SS..SBendtrans-75.2129.7179.4-64.50000110F25 Q26F25-S29 WeakPolarHBondContact CE1-OG 3.47Å; F25-S29 WeakPolarHBondContact O-CB 3.12Å; F25-S29 PolarHBondContact O-N 3.5Å; F25-S29 PolarHBondContact O-OG 3.12Å; Q26-S29 PolarHBondContact O-N 3.37Å
30S61.6Low78.7Confident106 Ų10692.2 Ų92.274%0.74151%0.513SS*.PPolyproline II helixtrans-68.4148.6174.2-65.80000110.7A32S30-A32 PolarHBondContact O-N 3.22Å
31P57.9Low79.1Confident126 Ų12688 Ų8882%0.81850%0.496SS*.PPolyproline II helixtrans-55.9133.3170.3-14.125.3000108.7
32A57.8Low79.4Confident56 Ų5687.5 Ų87.546%0.46351%0.506SS..PPolyproline II helixtrans-63.9140.1-17600000111.4S30 E197S30-A32 PolarHBondContact O-N 3.22Å; A32-E197 HydrophobicContact CB-CG 3.94Å; A32-E197 WeakPolarHBondContact CB-OE1 3.32Å; A32-E197 WeakPolarHBondContact CB-OE2 3.29Å
33A50.9Low79.9Confident92 Ų9287.6 Ų87.676%0.7651%0.509SS*.PPolyproline II helixtrans-67.8138.4176.400000109.8A35A33-A35 PolarHBondContact O-N 2.9Å
34S52.3Low80.4Confident111 Ų11187.1 Ų87.178%0.77651%0.513SS*.  trans-17.8118.2175.1171.70000114.7R36S34-R36 PolarHBondContact O-N 3.31Å
35A62.5Low80.9Confident69 Ų6984.8 Ų84.857%0.5750%0.501SS*.  trans-53.294.6-179.200000112A33 K37A33-A35 PolarHBondContact O-N 2.9Å; A35-K37 PolarHBondContact O-N 3.33Å
36R79.9Confident81.5Confident187 Ų18782.4 Ų82.471%0.70649%0.49SS*.PPolyproline II helixtrans-66.6119.6165.8-69.7-179.9-179.2179.30.2106.5S34 F81 L196S34-R36 PolarHBondContact O-N 3.31Å; R36-F81 HydrophobicContact CB-CD1 4.25Å; R36-F81 HydrophobicContact CB-CE1 4.25Å; R36-L196 HydrophobicContact CB-CD1 3.89Å; R36-L196 WeakPolarHBondContact O-CD1 3.27Å; R36-L196 WeakPolarHBondContact O-CG 3.33Å
37K87.9Confident82.1Confident161 Ų16181.3 Ų81.370%0.749%0.488SS*.PPolyproline II helixtrans-92.4155.2171.7-67.2-169.8174-166.50109.5A35A35-K37 PolarHBondContact O-N 3.33Å
38L94.3Very high82.7Confident7 Ų775.9 Ų75.94%0.03746%0.458CS..PPolyproline II helixtrans-67.1148.9169.9-80.895.6000110.8V78 V82 P193 L196 A213 G525L38-V78 HydrophobicContact CD2-CB 3.58Å; L38-V78 HydrophobicContact CD2-CG1 3.61Å; L38-V82 HydrophobicContact CD1-CG1 4.02Å; L38-V82 HydrophobicContact CD2-CG1 4.19Å; L38-P193 HydrophobicContact CD1-CB 3.86Å; L38-P193 WeakPolarHBondContact CD1-O 3.49Å; L38-P193 HydrophobicContact CD2-CB 4.34Å; L38-L196 HydrophobicContact CD1-CD2 4.19Å; L38-A213 HydrophobicContact CD2-CB 3.77Å; L38-G525 WeakPolarHBondContact O-CA 3.24Å
39P94.8Very high83.5Confident31 Ų3169.2 Ų69.220%0.20142%0.424CS..PPolyproline II helixtrans-65.7144.4170.625.9-30.9000111R74 E77P39-R74 PolarHBondContact O-NH1 3.47Å; P39-R74 PolarHBondContact O-NH2 3.01Å; P39-E77 HydrophobicContact CB-CG 4.41Å; P39-E77 VanDerWaalsContact CB-OE1 3.23Å; P39-E77 WeakPolarHBondContact CB-OE1 3.44Å; P39-E77 HydrophobicContact CG-CG 3.4Å; P39-E77 VanDerWaalsContact CG-CG 3.4Å; P39-E77 WeakPolarHBondContact CG-OE1 3.41Å
40P95.6Very high84.4Confident79 Ų7966.8 Ų66.851%0.51341%0.407SS..PPolyproline II helixtrans-62.3153.5177.627.4-34.9000111.4S42 G525P40-S42 PolarHBondContact O-N 3.23Å; P40-G525 WeakPolarHBondContact CB-O 3.48Å
41I97.1Very high86.2Confident25 Ų2563.8 Ų63.813%0.12838%0.384CS..PPolyproline II helixtrans-69.9125.2176.2-66.6168.7000110N43 L46 L47 A214 W521 D523I41-N43 WeakPolarHBondContact CG2-O 3.34Å; I41-L46 HydrophobicContact CG2-CB 3.83Å; I41-L46 HydrophobicContact CG2-CD1 4.03Å; I41-L47 HydrophobicContact CB-CD2 4.34Å; I41-L47 HydrophobicContact CD1-CD2 3.77Å; I41-L47 HydrophobicContact CG2-CD2 3.91Å; I41-L47 HydrophobicContact CG2-CG 4.03Å; I41-A214 HydrophobicContact CD1-CB 3.45Å; I41-A214 VanDerWaalsContact CD1-CB 3.45Å; I41-A214 HydrophobicContact CG1-CB 4.2Å; I41-W521 HydrophobicContact CD1-CH2 3.5Å; I41-W521 HydrophobicContact CD1-CZ2 3.95Å; I41-D523 WeakPolarHBondContact CB-OD2 3.4Å; I41-D523 HydrophobicContact CD1-CB 3.98Å; I41-D523 VanDerWaalsContact CD1-CG 3.47Å; I41-D523 WeakPolarHBondContact CG1-OD2 3.16Å; I41-D523 PolarHBondContact N-OD2 3.48Å; I41-D523 VanDerWaalsContact N-OD2 3.07Å
42S94.6Very high88.1Confident102 Ų10261.8 Ų61.871%0.71336%0.364SS*.  trans-102.2-31.7179.358.10000113.3P40P40-S42 PolarHBondContact O-N 3.23Å
43N97.8Very high90.1Very high45 Ų4559.1 Ų59.124%0.24134%0.342CS..  trans-92.4120.2-178-171.8-37.7000111.3I41 L45 L46 A70I41-N43 WeakPolarHBondContact CG2-O 3.34Å; N43-L45 PolarHBondContact O-N 3.3Å; N43-L45 VanDerWaalsContact OD1-CB 3.28Å; N43-L45 WeakPolarHBondContact OD1-CB 3.45Å; N43-L45 VanDerWaalsContact OD1-CG 3.32Å; N43-L45 WeakPolarHBondContact OD1-CG 3.29Å; N43-L45 PolarHBondContact OD1-N 3.07Å; N43-L46 HydrophobicContact CB-CD1 3.97Å; N43-L46 HydrophobicContact CB-CG 4.15Å; N43-L46 WeakPolarHBondContact O-CB 3.34Å; N43-L46 PolarHBondContact O-N 3.33Å; N43-L46 VanDerWaalsContact O-N 3.13Å; N43-A70 VanDerWaalsContact ND2-CB 3.3Å; N43-A70 WeakPolarHBondContact ND2-CB 3.46Å
44P97.8Very high92.3Very high86 Ų8654.8 Ų54.856%0.55831%0.305SS*.G310 helixtrans-67.4-16.2-176.928.3-36000114.5L46 L47P44-L46 PolarHBondContact O-N 3.13Å; P44-L47 PolarHBondContact O-N 2.88Å
45L98.4Very high94.5Very high9 Ų953.7 Ų53.75%0.04729%0.287CS..G310 helixtrans-66.5-26.8173.7-58.6177.7000112.1N43 L47 Q48 L53 V62 E66 V67 A70 Y71N43-L45 PolarHBondContact O-N 3.3Å; N43-L45 VanDerWaalsContact OD1-CB 3.28Å; N43-L45 WeakPolarHBondContact OD1-CB 3.45Å; N43-L45 VanDerWaalsContact OD1-CG 3.32Å; N43-L45 WeakPolarHBondContact OD1-CG 3.29Å; N43-L45 PolarHBondContact OD1-N 3.07Å; L45-L47 PolarHBondContact O-N 3.28Å; L45-Q48 PolarHBondContact O-N 3.48Å; L45-L53 HydrophobicContact CB-CD2 4.4Å; L45-L53 HydrophobicContact CD2-CD2 4.45Å; L45-V62 HydrophobicContact CD2-CG1 3.93Å; L45-E66 HydrophobicContact CD1-CG 4Å; L45-V67 HydrophobicContact CD1-CG2 4.18Å; L45-A70 HydrophobicContact CB-CB 4.48Å; L45-A70 HydrophobicContact CD1-CB 4.26Å; L45-Y71 PolarHBondContact O-OH 3.23Å
46L98.4Very high96.2Very high4 Ų453.3 Ų53.32%0.02127%0.272CS..G310 helixtrans-73.6-10.5176.6-55.9173.7000112.4I41 N43 P44 A70 Y71 R74 A214 R271I41-L46 HydrophobicContact CG2-CB 3.83Å; I41-L46 HydrophobicContact CG2-CD1 4.03Å; N43-L46 HydrophobicContact CB-CD1 3.97Å; N43-L46 HydrophobicContact CB-CG 4.15Å; N43-L46 WeakPolarHBondContact O-CB 3.34Å; N43-L46 PolarHBondContact O-N 3.33Å; N43-L46 VanDerWaalsContact O-N 3.13Å; P44-L46 PolarHBondContact O-N 3.13Å; L46-A70 HydrophobicContact CD2-CB 4.42Å; L46-Y71 HydrophobicContact CD2-CD1 3.89Å; L46-Y71 HydrophobicContact CD2-CD2 3.66Å; L46-Y71 HydrophobicContact CD2-CE1 3.94Å; L46-Y71 HydrophobicContact CD2-CE2 3.74Å; L46-Y71 HydrophobicContact CD2-CG 3.76Å; L46-R74 HydrophobicContact CD1-CB 3.73Å; L46-R74 HydrophobicContact CD1-CG 3.84Å; L46-R74 HydrophobicContact CD2-CB 4.15Å; L46-A214 HydrophobicContact CB-CB 4.48Å; L46-R271 VanDerWaalsContact O-CZ 3.28Å; L46-R271 PolarHBondContact O-NH2 2.74Å
47L97.9Very high97.1Very high84 Ų8444.4 Ų44.444%0.4424%0.239SC..G310 helixtrans-101.913179-57.2179.5000112.7I41 P44 L45 Y272 W521I41-L47 HydrophobicContact CB-CD2 4.34Å; I41-L47 HydrophobicContact CD1-CD2 3.77Å; I41-L47 HydrophobicContact CG2-CD2 3.91Å; I41-L47 HydrophobicContact CG2-CG 4.03Å; P44-L47 PolarHBondContact O-N 2.88Å; L45-L47 PolarHBondContact O-N 3.28Å; L47-Y272 WeakPolarHBondContact CA-OH 3.32Å; L47-Y272 PolarHBondContact O-OH 2.88Å; L47-W521 HydrophobicContact CD2-CH2 4.01Å; L47-W521 HydrophobicContact CD2-CZ3 4.05Å
48Q98.4Very high97.5Very high23 Ų2337.5 Ų37.511%0.10721%0.208CC..SBendtrans-108.9150.5178.9-69.117026.300110.6L45 Q52 L53 K56 R271 Y272L45-Q48 PolarHBondContact O-N 3.48Å; Q48-Q52 HydrophobicContact CB-CB 4.32Å; Q48-L53 HydrophobicContact CB-CD2 3.93Å; Q48-L53 HydrophobicContact CB-CG 3.86Å; Q48-K56 VanDerWaalsContact CD-NZ 3.31Å; Q48-K56 VanDerWaalsContact OE1-CD 3.31Å; Q48-R271 PolarHBondContact O-NH2 3.01Å; Q48-Y272 VanDerWaalsContact C-CE2 3.49Å; Q48-Y272 VanDerWaalsContact O-CE2 3.28Å; Q48-Y272 WeakPolarHBondContact O-CE2 3.48Å
49S98.7Very high97.6Very high0 Ų042.6 Ų42.60%023%0.227CC..  trans-71.4159.4171.964.30000111.3T51 Q52 L53 E274 D275S49-T51 PolarHBondContact O-N 3.13Å; S49-Q52 PolarHBondContact O-N 3.3Å; S49-Q52 WeakPolarHBondContact OG-CB 3.45Å; S49-Q52 WeakPolarHBondContact OG-CG 3.39Å; S49-Q52 PolarHBondContact OG-N 3.47Å; S49-Q52 PolarHBondContact OG-NE2 3.05Å; S49-L53 WeakPolarHBondContact O-CG 3.49Å; S49-L53 PolarHBondContact O-N 3.44Å; S49-E274 WeakPolarHBondContact CB-OE1 3.22Å; S49-E274 PolarHBondContact OG-OE1 3.37Å; S49-D275 WeakPolarHBondContact CB-OD2 3.24Å
50A98.7Very high97.7Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-59-41.1175.700000111Q52 L53 A54 L120 V123 V217 I218 D275A50-Q52 VanDerWaalsContact C-N 3.35Å; A50-Q52 PolarHBondContact O-N 3.31Å; A50-L53 PolarHBondContact O-N 3.13Å; A50-A54 WeakPolarHBondContact O-CB 3.3Å; A50-A54 PolarHBondContact O-N 3.46Å; A50-L120 HydrophobicContact CB-CD2 4.37Å; A50-V123 HydrophobicContact CB-CG1 3.49Å; A50-V123 VanDerWaalsContact CB-CG1 3.49Å; A50-V123 HydrophobicContact CB-CG2 4.35Å; A50-V123 WeakPolarHBondContact O-CG2 3.26Å; A50-V217 HydrophobicContact CB-CG1 4.15Å; A50-V217 HydrophobicContact CB-CG2 4.22Å; A50-I218 HydrophobicContact CB-CD1 4.36Å; A50-I218 HydrophobicContact CB-CG2 3.49Å; A50-I218 VanDerWaalsContact CB-CG2 3.49Å; A50-D275 HydrophobicContact CB-CB 4.38Å; A50-D275 WeakPolarHBondContact CB-OD1 3.46Å; A50-D275 PolarHBondContact N-OD1 3.37Å; A50-D275 PolarHBondContact N-OD2 2.95Å
51T98.4Very high97.8Very high43 Ų4349 Ų4926%0.26425%0.246SC..Hα-helixtrans-61.3-43.1177.6-55.10000111.6S49 K55 D275S49-T51 PolarHBondContact O-N 3.13Å; T51-K55 WeakPolarHBondContact O-CB 3.27Å; T51-K55 PolarHBondContact O-N 3.41Å; T51-K55 VanDerWaalsContact O-N 3.13Å; T51-D275 WeakPolarHBondContact CB-OD1 3.45Å; T51-D275 PolarHBondContact N-OD1 3.2Å; T51-D275 PolarHBondContact OG1-OD1 3.19Å
52Q98.6Very high97.8Very high84 Ų8448.8 Ų48.839%0.39325%0.245SC..Hα-helixtrans-66.9-43.1175.6-71.7167.116.100112.3Q48 S49 A50 K55 K56 E274Q48-Q52 HydrophobicContact CB-CB 4.32Å; S49-Q52 PolarHBondContact O-N 3.3Å; S49-Q52 WeakPolarHBondContact OG-CB 3.45Å; S49-Q52 WeakPolarHBondContact OG-CG 3.39Å; S49-Q52 PolarHBondContact OG-N 3.47Å; S49-Q52 PolarHBondContact OG-NE2 3.05Å; A50-Q52 VanDerWaalsContact C-N 3.35Å; A50-Q52 PolarHBondContact O-N 3.31Å; Q52-K55 PolarHBondContact O-N 3.06Å; Q52-K56 WeakPolarHBondContact O-CG 3.47Å; Q52-K56 PolarHBondContact O-N 3.08Å; Q52-E274 PolarHBondContact NE2-OE1 3.4Å
53L98.8Very high98Very high0 Ų045.9 Ų45.90%023%0.225CC..Hα-helixtrans-61.6-49.1177.6-72.6170.2000111.2L45 Q48 S49 A50 K55 K56 I57 V67 Y71 V123 V217L45-L53 HydrophobicContact CB-CD2 4.4Å; L45-L53 HydrophobicContact CD2-CD2 4.45Å; Q48-L53 HydrophobicContact CB-CD2 3.93Å; Q48-L53 HydrophobicContact CB-CG 3.86Å; S49-L53 WeakPolarHBondContact O-CG 3.49Å; S49-L53 PolarHBondContact O-N 3.44Å; A50-L53 PolarHBondContact O-N 3.13Å; L53-K55 VanDerWaalsContact C-N 3.26Å; L53-K55 PolarHBondContact O-N 3.38Å; L53-K56 PolarHBondContact O-N 2.77Å; L53-K56 VanDerWaalsContact O-N 3.16Å; L53-I57 VanDerWaalsContact O-CG1 3.27Å; L53-I57 WeakPolarHBondContact O-CG1 3.22Å; L53-I57 PolarHBondContact O-N 3.02Å; L53-V67 HydrophobicContact CD1-CG1 4.17Å; L53-V67 HydrophobicContact CD2-CG1 4.09Å; L53-V67 HydrophobicContact CD2-CG2 4.04Å; L53-Y71 HydrophobicContact CD1-CE2 4Å; L53-Y71 WeakPolarHBondContact CD1-OH 3.38Å; L53-V123 HydrophobicContact CB-CG2 4.43Å; L53-V217 HydrophobicContact CD1-CG1 4.39Å
54A98.6Very high98Very high0 Ų043.8 Ų43.80%021%0.214CC..Hα-helixtrans-56.7-42.8177.600000111.4A50 I57 R58 P119 V123A50-A54 WeakPolarHBondContact O-CB 3.3Å; A50-A54 PolarHBondContact O-N 3.46Å; A54-I57 PolarHBondContact O-N 3.25Å; A54-R58 WeakPolarHBondContact O-CB 3.29Å; A54-R58 WeakPolarHBondContact O-CG 3.39Å; A54-R58 PolarHBondContact O-N 3.07Å; A54-P119 WeakPolarHBondContact CB-O 3.35Å; A54-V123 HydrophobicContact CB-CG2 3.64Å
55K98.3Very high98.1Very high88 Ų8842 Ų4238%0.38320%0.201SC..Hα-helixtrans-62.2-46.3176.8-176.5174.1-176.6168.80112.5T51 Q52 L53 R58 R59T51-K55 WeakPolarHBondContact O-CB 3.27Å; T51-K55 PolarHBondContact O-N 3.41Å; T51-K55 VanDerWaalsContact O-N 3.13Å; Q52-K55 PolarHBondContact O-N 3.06Å; L53-K55 VanDerWaalsContact C-N 3.26Å; L53-K55 PolarHBondContact O-N 3.38Å; K55-R58 PolarHBondContact O-N 2.9Å; K55-R59 VanDerWaalsContact CE-NH2 3.29Å; K55-R59 WeakPolarHBondContact O-CB 3.18Å; K55-R59 VanDerWaalsContact O-CG 3.32Å; K55-R59 WeakPolarHBondContact O-CG 3.5Å; K55-R59 PolarHBondContact O-N 3.43Å
56K98.4Very high98.1Very high61 Ų6146.2 Ų46.227%0.26522%0.221SC..Hα-helixtrans-65.1-39.3178.5-71.4-170.3173.6-1780112.8Q48 Q52 L53 R59 K60 E61 V62Q48-K56 VanDerWaalsContact CD-NZ 3.31Å; Q48-K56 VanDerWaalsContact OE1-CD 3.31Å; Q52-K56 WeakPolarHBondContact O-CG 3.47Å; Q52-K56 PolarHBondContact O-N 3.08Å; L53-K56 PolarHBondContact O-N 2.77Å; L53-K56 VanDerWaalsContact O-N 3.16Å; K56-R59 CarbonylContact O-C 3.58Å; K56-R59 PolarHBondContact O-N 3.36Å; K56-K60 PolarHBondContact O-N 3.45Å; K56-K60 VanDerWaalsContact O-N 3.15Å; K56-E61 HydrophobicContact CB-CB 4.14Å; K56-E61 HydrophobicContact CG-CB 4.45Å; K56-E61 WeakPolarHBondContact CG-OE2 3.28Å; K56-E61 PolarHBondContact O-N 3.11Å; K56-V62 HydrophobicContact CB-CG2 3.84Å
57I98.1Very high98.1Very high1 Ų146 Ų461%0.00522%0.22CC..Hα-helixtrans-61.8-50.2174.6-67.1166.7000109.8L53 A54 R59 K60 V62 V67 V100 I104 L121L53-I57 VanDerWaalsContact O-CG1 3.27Å; L53-I57 WeakPolarHBondContact O-CG1 3.22Å; L53-I57 PolarHBondContact O-N 3.02Å; A54-I57 PolarHBondContact O-N 3.25Å; I57-R59 PolarHBondContact O-N 3.37Å; I57-K60 PolarHBondContact O-N 2.98Å; I57-V62 WeakPolarHBondContact CA-O 3.3Å; I57-V62 HydrophobicContact CG1-CG2 3.89Å; I57-V67 HydrophobicContact CD1-CB 4.25Å; I57-V67 HydrophobicContact CD1-CG1 4.47Å; I57-V67 HydrophobicContact CD1-CG2 4.02Å; I57-V67 HydrophobicContact CG1-CG2 4.14Å; I57-V100 HydrophobicContact CG2-CG1 4.15Å; I57-I104 HydrophobicContact CG2-CD1 3.5Å; I57-L121 WeakPolarHBondContact CD1-O 3.39Å
58R96.7Very high98.2Very high15 Ų1542 Ų426%0.05720%0.199CC..Hα-helixtrans-54.4-37.9175.7-76.1-169.9-62-9210.8112.7A54 K55 K60 E111 L114 E115 P119 L121A54-R58 WeakPolarHBondContact O-CB 3.29Å; A54-R58 WeakPolarHBondContact O-CG 3.39Å; A54-R58 PolarHBondContact O-N 3.07Å; K55-R58 PolarHBondContact O-N 2.9Å; R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.43Å; R58-E111 HydrophobicContact CB-CG 4.44Å; R58-L114 HydrophobicContact CG-CB 4.08Å; R58-L114 HydrophobicContact CG-CD1 4.39Å; R58-E115 IonicContact CZ-OE2 3.51Å; R58-E115 IonicContact NE-OE2 3.78Å; R58-E115 VanDerWaalsContact NH2-CD 3.27Å; R58-E115 IonicContact NH2-OE1 2.96Å; R58-E115 IonicContact NH2-OE2 2.95Å; R58-E115 PolarHBondContact NH2-OE2 2.89Å; R58-P119 PolarHBondContact NH1-O 3.02Å; R58-L121 HydrophobicContact CG-CB 4.45Å; R58-L121 HydrophobicContact CG-CD2 3.82Å
59R95.9Very high98.2Very high115 Ų11544 Ų4443%0.43421%0.208SC..THydrogen-bonded Turntrans-82.5-0.6179.7-69.6174.9178.5-143.3-18.5114.7K55 K56 I57 E61 E111K55-R59 VanDerWaalsContact CE-NH2 3.29Å; K55-R59 WeakPolarHBondContact O-CB 3.18Å; K55-R59 VanDerWaalsContact O-CG 3.32Å; K55-R59 WeakPolarHBondContact O-CG 3.5Å; K55-R59 PolarHBondContact O-N 3.43Å; K56-R59 CarbonylContact O-C 3.58Å; K56-R59 PolarHBondContact O-N 3.36Å; I57-R59 PolarHBondContact O-N 3.37Å; R59-E61 HydrophobicContact CB-CG 3.91Å; R59-E61 VanDerWaalsContact CD-OE1 3.24Å; R59-E61 WeakPolarHBondContact CD-OE1 3.32Å; R59-E61 PolarHBondContact O-N 3.5Å; R59-E111 IonicContact CZ-OE1 3.4Å; R59-E111 IonicContact CZ-OE2 3.44Å; R59-E111 VanDerWaalsContact NE-CD 3.31Å; R59-E111 IonicContact NE-OE1 2.77Å; R59-E111 PolarHBondContact NE-OE1 3.4Å; R59-E111 IonicContact NE-OE2 3.12Å; R59-E111 PolarHBondContact NE-OE2 3.03Å; R59-E111 VanDerWaalsContact NE-OE2 3.12Å; R59-E111 IonicContact NH2-OE1 2.69Å; R59-E111 PolarHBondContact NH2-OE1 2.83Å; R59-E111 VanDerWaalsContact NH2-OE1 3.16Å; R59-E111 IonicContact NH2-OE2 3.5Å; R59-E111 PolarHBondContact NH2-OE2 2.7Å
60K96Very high98.2Very high132 Ų13244.2 Ų44.257%0.57421%0.21SC*.THydrogen-bonded Turntrans5825.5-174.5-52.2178.9178.9-178.60112.9K56 I57 R58 V62 I104K56-K60 PolarHBondContact O-N 3.45Å; K56-K60 VanDerWaalsContact O-N 3.15Å; I57-K60 PolarHBondContact O-N 2.98Å; R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.43Å; K60-V62 VanDerWaalsContact C-N 3.32Å; K60-I104 HydrophobicContact CD-CG2 4.34Å; K60-I104 VanDerWaalsContact CE-O 3.26Å; K60-I104 WeakPolarHBondContact CE-O 3.38Å; K60-I104 HydrophobicContact CG-CG2 3.89Å; K60-I104 PolarHBondContact NZ-O 2.94Å
61E97.6Very high98.2Very high113 Ų11344.2 Ų44.253%0.52821%0.21SC..SBendtrans-73.8-30.4173.3-68.2175.9-154.600111K56 R59K56-E61 HydrophobicContact CB-CB 4.14Å; K56-E61 HydrophobicContact CG-CB 4.45Å; K56-E61 WeakPolarHBondContact CG-OE2 3.28Å; K56-E61 PolarHBondContact O-N 3.11Å; R59-E61 HydrophobicContact CB-CG 3.91Å; R59-E61 VanDerWaalsContact CD-OE1 3.24Å; R59-E61 WeakPolarHBondContact CD-OE1 3.32Å; R59-E61 PolarHBondContact O-N 3.5Å
62V98.2Very high98.2Very high20 Ų2042.4 Ų42.412%0.12120%0.198CC..SBendtrans-141.9155.9171.1-590000108.2L45 K56 I57 K60 V67L45-V62 HydrophobicContact CD2-CG1 3.93Å; K56-V62 HydrophobicContact CB-CG2 3.84Å; I57-V62 WeakPolarHBondContact CA-O 3.3Å; I57-V62 HydrophobicContact CG1-CG2 3.89Å; K60-V62 VanDerWaalsContact C-N 3.32Å; V62-V67 HydrophobicContact CB-CG2 4.38Å; V62-V67 HydrophobicContact CG2-CG2 3.65Å
63S98.4Very high98.3Very high41 Ų4142 Ų4229%0.28720%0.199SC..  trans-88.4155.1172.672.80000111.8V65 E66 V67 D101S63-V65 VanDerWaalsContact C-N 3.28Å; S63-V65 PolarHBondContact O-N 3.05Å; S63-E66 PolarHBondContact O-N 3.15Å; S63-E66 VanDerWaalsContact OG-CB 3.27Å; S63-E66 WeakPolarHBondContact OG-CB 3.42Å; S63-E66 PolarHBondContact OG-N 2.88Å; S63-V67 WeakPolarHBondContact O-CG2 3.44Å; S63-V67 PolarHBondContact O-N 2.95Å; S63-V67 VanDerWaalsContact O-N 3.07Å; S63-D101 WeakPolarHBondContact CB-OD2 3.26Å
64S98.6Very high98.2Very high0 Ų042.1 Ų42.10%020%0.199CC..Hα-helixtrans-60.2-40.3171.4-175.90000110.9E66 V67 V68 A97 D101 G122S64-E66 PolarHBondContact O-N 3.21Å; S64-V67 PolarHBondContact O-N 3.36Å; S64-V68 WeakPolarHBondContact O-CB 3.3Å; S64-V68 WeakPolarHBondContact O-CG2 3.3Å; S64-V68 PolarHBondContact O-N 2.76Å; S64-A97 WeakPolarHBondContact CB-O 3.44Å; S64-A97 WeakPolarHBondContact OG-CA 3.23Å; S64-A97 WeakPolarHBondContact OG-CB 3.48Å; S64-D101 VanDerWaalsContact CB-OD1 3.27Å; S64-D101 WeakPolarHBondContact CB-OD1 3.32Å; S64-D101 PolarHBondContact N-OD1 2.92Å; S64-G122 WeakPolarHBondContact OG-CA 3.5Å
65V98.8Very high98.3Very high48 Ų4842.4 Ų42.429%0.29120%0.201SC..Hα-helixtrans-61.6-42.3175.4170.90000111.8S63 Q69 L94 A97 A98 D101S63-V65 VanDerWaalsContact C-N 3.28Å; S63-V65 PolarHBondContact O-N 3.05Å; V65-Q69 WeakPolarHBondContact O-CB 3.42Å; V65-Q69 PolarHBondContact O-N 2.98Å; V65-L94 HydrophobicContact CG1-CD2 4.28Å; V65-A97 HydrophobicContact CB-CB 4.49Å; V65-A97 HydrophobicContact CG2-CB 3.82Å; V65-A98 HydrophobicContact CG2-CB 3.9Å; V65-D101 VanDerWaalsContact CG2-OD2 3.3Å; V65-D101 WeakPolarHBondContact CG2-OD2 3.28Å; V65-D101 PolarHBondContact N-OD2 3.05Å; V65-D101 VanDerWaalsContact N-OD2 3.13Å
66E98.8Very high98.3Very high99 Ų9943.8 Ų43.846%0.46321%0.208SC..Hα-helixtrans-62.3-45.2176.9-174.7-176.6137.900111.4L45 S63 S64 A70L45-E66 HydrophobicContact CD1-CG 4Å; S63-E66 PolarHBondContact O-N 3.15Å; S63-E66 VanDerWaalsContact OG-CB 3.27Å; S63-E66 WeakPolarHBondContact OG-CB 3.42Å; S63-E66 PolarHBondContact OG-N 2.88Å; S64-E66 PolarHBondContact O-N 3.21Å; E66-A70 WeakPolarHBondContact O-CB 3.47Å; E66-A70 PolarHBondContact O-N 3.32Å
67V98.8Very high98.3Very high0 Ų044.2 Ų44.20%021%0.211CC..Hα-helixtrans-63.2-52.5177.2174.10000110.6L45 L53 I57 V62 S63 S64 Q69 A70 Y71 P124L45-V67 HydrophobicContact CD1-CG2 4.18Å; L53-V67 HydrophobicContact CD1-CG1 4.17Å; L53-V67 HydrophobicContact CD2-CG1 4.09Å; L53-V67 HydrophobicContact CD2-CG2 4.04Å; I57-V67 HydrophobicContact CD1-CB 4.25Å; I57-V67 HydrophobicContact CD1-CG1 4.47Å; I57-V67 HydrophobicContact CD1-CG2 4.02Å; I57-V67 HydrophobicContact CG1-CG2 4.14Å; V62-V67 HydrophobicContact CB-CG2 4.38Å; V62-V67 HydrophobicContact CG2-CG2 3.65Å; S63-V67 WeakPolarHBondContact O-CG2 3.44Å; S63-V67 PolarHBondContact O-N 2.95Å; S63-V67 VanDerWaalsContact O-N 3.07Å; S64-V67 PolarHBondContact O-N 3.36Å; V67-Q69 VanDerWaalsContact C-N 3.32Å; V67-Q69 PolarHBondContact O-N 3.47Å; V67-A70 WeakPolarHBondContact O-CB 3.18Å; V67-A70 PolarHBondContact O-N 3.28Å; V67-A70 VanDerWaalsContact O-N 3.17Å; V67-Y71 HydrophobicContact CG1-CD2 4.27Å; V67-Y71 HydrophobicContact CG1-CE2 4.1Å; V67-Y71 VanDerWaalsContact O-CD2 3.3Å; V67-Y71 WeakPolarHBondContact O-CD2 3.46Å; V67-Y71 PolarHBondContact O-N 3.2Å; V67-P124 HydrophobicContact CG1-CG 3.89Å
68V98.9Very high98.3Very high0 Ų044.2 Ų44.20%021%0.211CC..Hα-helixtrans-60.9-41.7-179.2167.10000111.4S64 A70 Y71 I72 A93 L94 A97 P124 V166 L168S64-V68 WeakPolarHBondContact O-CB 3.3Å; S64-V68 WeakPolarHBondContact O-CG2 3.3Å; S64-V68 PolarHBondContact O-N 2.76Å; V68-A70 VanDerWaalsContact C-N 3.35Å; V68-A70 PolarHBondContact O-N 2.86Å; V68-Y71 PolarHBondContact O-N 3.13Å; V68-I72 HydrophobicContact CG1-CD1 3.71Å; V68-I72 HydrophobicContact CG1-CG1 4.36Å; V68-I72 VanDerWaalsContact O-CG1 3.3Å; V68-I72 WeakPolarHBondContact O-CG1 3.38Å; V68-I72 PolarHBondContact O-N 3.42Å; V68-A93 HydrophobicContact CG1-CB 4.11Å; V68-L94 HydrophobicContact CG1-CD2 3.96Å; V68-L94 HydrophobicContact CG1-CG 4.39Å; V68-A97 HydrophobicContact CB-CB 4.03Å; V68-A97 HydrophobicContact CG1-CB 4.43Å; V68-A97 HydrophobicContact CG2-CB 3.86Å; V68-P124 HydrophobicContact CG2-CG 4.15Å; V68-V166 HydrophobicContact CG2-CB 4.24Å; V68-V166 HydrophobicContact CG2-CG1 4.11Å; V68-L168 HydrophobicContact CG1-CD2 3.96Å
69Q98.9Very high98.4Very high65 Ų6545 Ų4530%0.30422%0.217SC..Hα-helixtrans-61.2-42.4176.1-171.962.156.700111.8V65 V67 Y71 I72 D73 L94V65-Q69 WeakPolarHBondContact O-CB 3.42Å; V65-Q69 PolarHBondContact O-N 2.98Å; V67-Q69 VanDerWaalsContact C-N 3.32Å; V67-Q69 PolarHBondContact O-N 3.47Å; Q69-Y71 VanDerWaalsContact C-N 3.29Å; Q69-Y71 PolarHBondContact O-N 2.88Å; Q69-I72 WeakPolarHBondContact O-CB 3.12Å; Q69-I72 PolarHBondContact O-N 3.16Å; Q69-I72 VanDerWaalsContact O-N 3.14Å; Q69-D73 PolarHBondContact NE2-OD1 3.45Å; Q69-D73 PolarHBondContact O-N 3.28Å; Q69-L94 HydrophobicContact CB-CD2 4.35Å
70A98.9Very high98.4Very high4 Ų444.6 Ų44.63%0.03323%0.229CC..Hα-helixtrans-58.3-39.7177.500000112.8N43 L45 L46 E66 V67 V68 R74N43-A70 VanDerWaalsContact ND2-CB 3.3Å; N43-A70 WeakPolarHBondContact ND2-CB 3.46Å; L45-A70 HydrophobicContact CB-CB 4.48Å; L45-A70 HydrophobicContact CD1-CB 4.26Å; L46-A70 HydrophobicContact CD2-CB 4.42Å; E66-A70 WeakPolarHBondContact O-CB 3.47Å; E66-A70 PolarHBondContact O-N 3.32Å; V67-A70 WeakPolarHBondContact O-CB 3.18Å; V67-A70 PolarHBondContact O-N 3.28Å; V67-A70 VanDerWaalsContact O-N 3.17Å; V68-A70 VanDerWaalsContact C-N 3.35Å; V68-A70 PolarHBondContact O-N 2.86Å; A70-R74 PolarHBondContact O-N 3.41Å; A70-R74 VanDerWaalsContact O-N 3.11Å
71Y98.9Very high98.5Very high0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-74.4-36176.4-78.3-100.8000112.4L45 L46 L53 V67 V68 Q69 R74 I75 P124 V217 R271L45-Y71 PolarHBondContact O-OH 3.23Å; L46-Y71 HydrophobicContact CD2-CD1 3.89Å; L46-Y71 HydrophobicContact CD2-CD2 3.66Å; L46-Y71 HydrophobicContact CD2-CE1 3.94Å; L46-Y71 HydrophobicContact CD2-CE2 3.74Å; L46-Y71 HydrophobicContact CD2-CG 3.76Å; L53-Y71 HydrophobicContact CD1-CE2 4Å; L53-Y71 WeakPolarHBondContact CD1-OH 3.38Å; V67-Y71 HydrophobicContact CG1-CD2 4.27Å; V67-Y71 HydrophobicContact CG1-CE2 4.1Å; V67-Y71 VanDerWaalsContact O-CD2 3.3Å; V67-Y71 WeakPolarHBondContact O-CD2 3.46Å; V67-Y71 PolarHBondContact O-N 3.2Å; V68-Y71 PolarHBondContact O-N 3.13Å; Q69-Y71 VanDerWaalsContact C-N 3.29Å; Q69-Y71 PolarHBondContact O-N 2.88Å; Y71-R74 PolarHBondContact O-N 3.46Å; Y71-I75 VanDerWaalsContact O-CG1 3.27Å; Y71-I75 WeakPolarHBondContact O-CG1 3.44Å; Y71-I75 PolarHBondContact O-N 3.01Å; Y71-P124 HydrophobicContact CD1-CB 4.39Å; Y71-P124 HydrophobicContact CD1-CG 4.49Å; Y71-P124 HydrophobicContact CD2-CB 4.32Å; Y71-P124 HydrophobicContact CD2-CG 3.61Å; Y71-P124 HydrophobicContact CE2-CG 4.02Å; Y71-P124 HydrophobicContact CG-CB 4.08Å; Y71-P124 HydrophobicContact CG-CG 3.86Å; Y71-V217 HydrophobicContact CE1-CB 3.89Å; Y71-V217 HydrophobicContact CE1-CG1 4.26Å; Y71-V217 WeakPolarHBondContact OH-CB 3.47Å; Y71-R271 PolarHBondContact OH-NH2 2.89Å
72I98.9Very high98.5Very high4 Ų436.2 Ų36.22%0.02119%0.191CC..Hα-helixtrans-59.1-49.3173.1-70.3167.3000110.2V68 Q69 R74 I75 Q76 F90 L94 L168V68-I72 HydrophobicContact CG1-CD1 3.71Å; V68-I72 HydrophobicContact CG1-CG1 4.36Å; V68-I72 VanDerWaalsContact O-CG1 3.3Å; V68-I72 WeakPolarHBondContact O-CG1 3.38Å; V68-I72 PolarHBondContact O-N 3.42Å; Q69-I72 WeakPolarHBondContact O-CB 3.12Å; Q69-I72 PolarHBondContact O-N 3.16Å; Q69-I72 VanDerWaalsContact O-N 3.14Å; I72-R74 VanDerWaalsContact C-N 3.29Å; I72-R74 PolarHBondContact O-N 2.74Å; I72-I75 PolarHBondContact O-N 3.38Å; I72-Q76 WeakPolarHBondContact O-CG 3.49Å; I72-Q76 PolarHBondContact O-N 3.44Å; I72-F90 HydrophobicContact CB-CD1 4.48Å; I72-F90 HydrophobicContact CB-CG 4.48Å; I72-F90 HydrophobicContact CD1-CB 3.87Å; I72-F90 HydrophobicContact CD1-CD1 4.16Å; I72-F90 HydrophobicContact CD1-CG 4.11Å; I72-F90 HydrophobicContact CG1-CB 4.2Å; I72-F90 HydrophobicContact CG1-CD1 3.61Å; I72-F90 HydrophobicContact CG1-CD2 4.48Å; I72-F90 HydrophobicContact CG1-CE1 4.04Å; I72-F90 HydrophobicContact CG1-CG 3.85Å; I72-F90 HydrophobicContact CG2-CB 4.37Å; I72-F90 HydrophobicContact CG2-CD1 4.34Å; I72-F90 HydrophobicContact CG2-CD2 3.71Å; I72-F90 HydrophobicContact CG2-CE2 3.97Å; I72-F90 HydrophobicContact CG2-CG 3.9Å; I72-F90 HydrophobicContact CG2-CZ 4.39Å; I72-L94 HydrophobicContact CD1-CD1 4.02Å; I72-L94 HydrophobicContact CD1-CD2 3.95Å; I72-L94 HydrophobicContact CD1-CG 3.71Å; I72-L168 HydrophobicContact CG1-CD2 4.36Å
73D98.9Very high98.5Very high76 Ų7637.7 Ų37.741%0.40620%0.198SC..Hα-helixtrans-59.1-43.5178.7-65.2-15.8000110.5Q69 Q76 E77Q69-D73 PolarHBondContact NE2-OD1 3.45Å; Q69-D73 PolarHBondContact O-N 3.28Å; D73-Q76 PolarHBondContact O-N 3.18Å; D73-E77 WeakPolarHBondContact O-CB 3.37Å; D73-E77 PolarHBondContact O-N 3.06Å
74R98.7Very high98.5Very high2 Ų235.7 Ų35.71%0.00818%0.184CC..Hα-helixtrans-63.2-43.9176.1-174.257.7177.2176-1.3112.4P39 L46 A70 Y71 I72 Q76 E77 V78 A213P39-R74 PolarHBondContact O-NH1 3.47Å; P39-R74 PolarHBondContact O-NH2 3.01Å; L46-R74 HydrophobicContact CD1-CB 3.73Å; L46-R74 HydrophobicContact CD1-CG 3.84Å; L46-R74 HydrophobicContact CD2-CB 4.15Å; A70-R74 PolarHBondContact O-N 3.41Å; A70-R74 VanDerWaalsContact O-N 3.11Å; Y71-R74 PolarHBondContact O-N 3.46Å; I72-R74 VanDerWaalsContact C-N 3.29Å; I72-R74 PolarHBondContact O-N 2.74Å; R74-Q76 VanDerWaalsContact C-N 3.32Å; R74-Q76 PolarHBondContact O-N 3.26Å; R74-E77 WeakPolarHBondContact CD-OE2 3.4Å; R74-E77 IonicContact CZ-OE2 3.94Å; R74-E77 IonicContact NE-OE2 3.68Å; R74-E77 IonicContact NH1-OE1 3.78Å; R74-E77 IonicContact NH1-OE2 2.97Å; R74-E77 PolarHBondContact NH1-OE2 3.48Å; R74-E77 WeakPolarHBondContact O-CB 3.48Å; R74-E77 PolarHBondContact O-N 3.38Å; R74-V78 HydrophobicContact CG-CG1 4.36Å; R74-V78 WeakPolarHBondContact O-CG1 3.34Å; R74-V78 VanDerWaalsContact O-CG2 3.24Å; R74-V78 WeakPolarHBondContact O-CG2 3.22Å; R74-V78 PolarHBondContact O-N 3.15Å; R74-A213 PolarHBondContact NE-O 3.17Å; R74-A213 PolarHBondContact NH2-O 3.46Å
75I98.8Very high98.5Very high7 Ų736.4 Ų36.44%0.03619%0.188CC..Hα-helixtrans-60.4-45.3176.8-66.9165.4000110Y71 I72 E77 V78 N79 V85 F90 L168 I210 G215Y71-I75 VanDerWaalsContact O-CG1 3.27Å; Y71-I75 WeakPolarHBondContact O-CG1 3.44Å; Y71-I75 PolarHBondContact O-N 3.01Å; I72-I75 PolarHBondContact O-N 3.38Å; I75-E77 PolarHBondContact O-N 3.08Å; I75-V78 PolarHBondContact O-N 3.27Å; I75-N79 HydrophobicContact CG2-CB 3.95Å; I75-N79 WeakPolarHBondContact O-CB 3.33Å; I75-N79 PolarHBondContact O-N 3.39Å; I75-V85 HydrophobicContact CG2-CB 4.25Å; I75-V85 HydrophobicContact CG2-CG2 3.92Å; I75-F90 HydrophobicContact CB-CZ 4.01Å; I75-F90 HydrophobicContact CD1-CE1 3.78Å; I75-F90 HydrophobicContact CD1-CZ 3.99Å; I75-F90 HydrophobicContact CG2-CZ 3.77Å; I75-L168 HydrophobicContact CD1-CB 4.22Å; I75-L168 HydrophobicContact CD1-CD1 3.58Å; I75-I210 HydrophobicContact CG1-CD1 4.15Å; I75-I210 HydrophobicContact CG1-CG1 4.42Å; I75-G215 VanDerWaalsContact CD1-O 3.29Å; I75-G215 WeakPolarHBondContact CD1-O 3.44Å; I75-G215 WeakPolarHBondContact CG1-O 3.46Å
76Q98.6Very high98.5Very high116 Ų11635.5 Ų35.554%0.54218%0.183SC..Hα-helixtrans-61.4-35.1178.8-71.3178-1200112.3I72 D73 R74 P80 F90I72-Q76 WeakPolarHBondContact O-CG 3.49Å; I72-Q76 PolarHBondContact O-N 3.44Å; D73-Q76 PolarHBondContact O-N 3.18Å; R74-Q76 VanDerWaalsContact C-N 3.32Å; R74-Q76 PolarHBondContact O-N 3.26Å; Q76-P80 VanDerWaalsContact O-CD 3.3Å; Q76-P80 WeakPolarHBondContact O-CD 3.42Å; Q76-P80 WeakPolarHBondContact O-CG 3.43Å; Q76-F90 HydrophobicContact CG-CE2 4.21Å
77E98.1Very high98.5Very high71 Ų7135.7 Ų35.733%0.33218%0.182SC..Hα-helixtrans-70.4-45176.5-176.6-176.8-150.400112.7P39 D73 R74 I75 F81P39-E77 HydrophobicContact CB-CG 4.41Å; P39-E77 VanDerWaalsContact CB-OE1 3.23Å; P39-E77 WeakPolarHBondContact CB-OE1 3.44Å; P39-E77 HydrophobicContact CG-CG 3.4Å; P39-E77 VanDerWaalsContact CG-CG 3.4Å; P39-E77 WeakPolarHBondContact CG-OE1 3.41Å; D73-E77 WeakPolarHBondContact O-CB 3.37Å; D73-E77 PolarHBondContact O-N 3.06Å; R74-E77 WeakPolarHBondContact CD-OE2 3.4Å; R74-E77 IonicContact CZ-OE2 3.94Å; R74-E77 IonicContact NE-OE2 3.68Å; R74-E77 IonicContact NH1-OE1 3.78Å; R74-E77 IonicContact NH1-OE2 2.97Å; R74-E77 PolarHBondContact NH1-OE2 3.48Å; R74-E77 WeakPolarHBondContact O-CB 3.48Å; R74-E77 PolarHBondContact O-N 3.38Å; I75-E77 PolarHBondContact O-N 3.08Å; E77-F81 WeakPolarHBondContact O-CD2 3.45Å; E77-F81 WeakPolarHBondContact O-CE2 3.41Å
78V98.3Very high98.5Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-98.4-31.7-168.4-56.20000114.9L38 R74 I75 P80 F81 V82 I210 A213L38-V78 HydrophobicContact CD2-CB 3.58Å; L38-V78 HydrophobicContact CD2-CG1 3.61Å; R74-V78 HydrophobicContact CG-CG1 4.36Å; R74-V78 WeakPolarHBondContact O-CG1 3.34Å; R74-V78 VanDerWaalsContact O-CG2 3.24Å; R74-V78 WeakPolarHBondContact O-CG2 3.22Å; R74-V78 PolarHBondContact O-N 3.15Å; I75-V78 PolarHBondContact O-N 3.27Å; V78-P80 VanDerWaalsContact C-N 3.32Å; V78-F81 WeakPolarHBondContact O-CB 3.4Å; V78-F81 PolarHBondContact O-N 2.88Å; V78-V82 PolarHBondContact O-N 2.87Å; V78-I210 HydrophobicContact CG2-CD1 4.03Å; V78-A213 HydrophobicContact CB-CB 4.28Å; V78-A213 HydrophobicContact CG2-CB 3.88Å
79N98.5Very high98.5Very high33 Ų3340.7 Ų40.718%0.17621%0.206CC..Hα-helixtrans-61.5-31.5-174.3-16252.8000114I75 F81 V82 N83 A84 V85I75-N79 HydrophobicContact CG2-CB 3.95Å; I75-N79 WeakPolarHBondContact O-CB 3.33Å; I75-N79 PolarHBondContact O-N 3.39Å; N79-F81 PolarHBondContact O-N 2.78Å; N79-F81 VanDerWaalsContact O-N 3.15Å; N79-V82 PolarHBondContact O-N 3.18Å; N79-N83 WeakPolarHBondContact O-CA 3.49Å; N79-N83 PolarHBondContact O-N 3.17Å; N79-A84 PolarHBondContact OD1-N 3.21Å; N79-V85 PolarHBondContact ND2-O 2.87Å; N79-V85 PolarHBondContact OD1-N 2.84Å
80P97.6Very high98.5Very high106 Ų10638.8 Ų38.869%0.68820%0.197SC*.Hα-helixtrans-59.5-21.1171.3-26.536.6000114.7Q76 V78Q76-P80 VanDerWaalsContact O-CD 3.3Å; Q76-P80 WeakPolarHBondContact O-CD 3.42Å; Q76-P80 WeakPolarHBondContact O-CG 3.43Å; V78-P80 VanDerWaalsContact C-N 3.32Å
81F96.8Very high98.4Very high68 Ų6842.1 Ų42.130%0.29822%0.224SC..Hα-helixtrans-90.4-43.9176.3-62-92.7000112.2R36 E77 V78 N79 L196R36-F81 HydrophobicContact CB-CD1 4.25Å; R36-F81 HydrophobicContact CB-CE1 4.25Å; E77-F81 WeakPolarHBondContact O-CD2 3.45Å; E77-F81 WeakPolarHBondContact O-CE2 3.41Å; V78-F81 WeakPolarHBondContact O-CB 3.4Å; V78-F81 PolarHBondContact O-N 2.88Å; N79-F81 PolarHBondContact O-N 2.78Å; N79-F81 VanDerWaalsContact O-N 3.15Å; F81-L196 HydrophobicContact CB-CD1 4.08Å; F81-L196 HydrophobicContact CB-CD2 4.25Å; F81-L196 HydrophobicContact CD1-CD1 4.1Å
82V98Very high98.4Very high0 Ų043.7 Ų43.70%024%0.237CC..Hα-helixtrans-99.8-18.5-169.1-61.30000114.7L38 V78 N79 A84 T190 C191 P193 L196 S209L38-V82 HydrophobicContact CD1-CG1 4.02Å; L38-V82 HydrophobicContact CD2-CG1 4.19Å; V78-V82 PolarHBondContact O-N 2.87Å; N79-V82 PolarHBondContact O-N 3.18Å; V82-A84 HydrophobicContact CG2-CB 3.79Å; V82-A84 PolarHBondContact O-N 3.18Å; V82-T190 CarbonylContact O-C 3.31Å; V82-T190 VanDerWaalsContact O-CA 3.3Å; V82-T190 WeakPolarHBondContact O-CA 3.24Å; V82-T190 WeakPolarHBondContact O-CG2 3.33Å; V82-C191 PolarHBondContact O-N 2.98Å; V82-P193 HydrophobicContact CG1-CB 4.26Å; V82-L196 HydrophobicContact CG1-CD2 3.93Å; V82-S209 WeakPolarHBondContact CB-OG 3.28Å
83N98.5Very high98.4Very high51 Ų5143.5 Ų43.527%0.27324%0.236SC..  trans48.354.2-178.4-173.344.8000112.8N79 Y187 I189 T190N79-N83 WeakPolarHBondContact O-CA 3.49Å; N79-N83 PolarHBondContact O-N 3.17Å; N83-Y187 PolarHBondContact ND2-O 3.47Å; N83-I189 WeakPolarHBondContact CB-O 3.49Å; N83-I189 PolarHBondContact ND2-O 2.98Å; N83-T190 WeakPolarHBondContact O-CB 3.49Å; N83-T190 PolarHBondContact O-OG1 3.31Å
84A98.6Very high98.4Very high0 Ų042.1 Ų42.10%023%0.229CC..  trans-100.8-41.8-173.600000112.8N79 V82 T171 N172 T190 I210N79-A84 PolarHBondContact OD1-N 3.21Å; V82-A84 HydrophobicContact CG2-CB 3.79Å; V82-A84 PolarHBondContact O-N 3.18Å; A84-T171 CarbonylContact O-C 3.52Å; A84-T171 WeakPolarHBondContact O-CA 3.32Å; A84-T171 WeakPolarHBondContact O-CB 3.46Å; A84-N172 PolarHBondContact O-N 3.38Å; A84-T190 HydrophobicContact CB-CG2 4.07Å; A84-I210 HydrophobicContact CB-CB 3.87Å; A84-I210 HydrophobicContact CB-CD1 4.34Å
85V98.8Very high98.4Very high14 Ų1448.2 Ų48.29%0.08526%0.258CS..EExtended strand (participates in β ladder)trans-90.6119.7174.2-179.40000108.9I75 N79 T171 I210I75-V85 HydrophobicContact CG2-CB 4.25Å; I75-V85 HydrophobicContact CG2-CG2 3.92Å; N79-V85 PolarHBondContact ND2-O 2.87Å; N79-V85 PolarHBondContact OD1-N 2.84Å; V85-T171 HydrophobicContact CG2-CG2 4.45Å; V85-I210 HydrophobicContact CG2-CB 4.41Å; V85-I210 HydrophobicContact CG2-CD1 3.91Å; V85-I210 HydrophobicContact CG2-CG1 3.74Å
86V98.3Very high98.4Very high29 Ų2950.2 Ų50.218%0.17627%0.267CS..EExtended strand (participates in β ladder)trans-98.1-24.5-176.4-60.20000112.8E129 V170 N172 Y187V86-E129 HydrophobicContact CG2-CG 4.43Å; V86-V170 HydrophobicContact CG2-CG2 3.95Å; V86-V170 PolarHBondContact N-O 3.47Å; V86-N172 HydrophobicContact CG1-CB 3.42Å; V86-N172 VanDerWaalsContact CG1-CB 3.42Å; V86-Y187 HydrophobicContact CB-CD1 3.76Å; V86-Y187 HydrophobicContact CB-CD2 4.02Å; V86-Y187 HydrophobicContact CB-CE1 4Å; V86-Y187 HydrophobicContact CB-CE2 4.24Å; V86-Y187 HydrophobicContact CB-CG 3.77Å; V86-Y187 HydrophobicContact CG1-CD1 4.08Å; V86-Y187 HydrophobicContact CG1-CD2 3.82Å; V86-Y187 HydrophobicContact CG1-CE2 4.47Å; V86-Y187 HydrophobicContact CG1-CG 3.58Å; V86-Y187 HydrophobicContact CG2-CD1 4.47Å; V86-Y187 HydrophobicContact CG2-CD2 4.17Å; V86-Y187 HydrophobicContact CG2-CE1 4.3Å; V86-Y187 HydrophobicContact CG2-CE2 3.98Å; V86-Y187 HydrophobicContact CG2-CG 4.4Å
87K98.6Very high98.4Very high104 Ų10444.7 Ų44.745%0.45224%0.241SC..EExtended strand (participates in β ladder)trans-150.7121.7172.7-177.266.7177.7175.30110.3M136 P137 G169 V170K87-M136 HydrophobicContact CG-CE 4.12Å; K87-M136 HydrophobicContact CG-SD 4.26Å; K87-M136 VanDerWaalsContact O-CE 3.27Å; K87-M136 WeakPolarHBondContact O-CE 3.29Å; K87-P137 HydrophobicContact CB-CG 4.01Å; K87-P137 HydrophobicContact CG-CG 4.01Å; K87-G169 CarbonylContact O-C 3.44Å; K87-G169 WeakPolarHBondContact O-CA 3.25Å; K87-V170 HydrophobicContact CB-CG2 3.8Å; K87-V170 PolarHBondContact N-O 2.86Å; K87-V170 PolarHBondContact O-N 3Å
88D98.6Very high98.4Very high70 Ų7043.7 Ų43.737%0.37425%0.245SC..EExtended strand (participates in β ladder)trans-87.7163.2173.769.495.2000112.4F90D88-F90 HydrophobicContact CB-CD1 3.74Å; D88-F90 HydrophobicContact CB-CD2 3.84Å; D88-F90 HydrophobicContact CB-CE1 3.61Å; D88-F90 HydrophobicContact CB-CE2 3.71Å; D88-F90 HydrophobicContact CB-CG 3.87Å; D88-F90 HydrophobicContact CB-CZ 3.59Å; D88-F90 PolarHBondContact OD1-N 3.13Å
89R98.3Very high98.4Very high34 Ų3450 Ų5013%0.12827%0.274CS..  trans-13437.1168.459.8-174.9-63-97.65.4111A91 A92 A93 E96 M136 P167 L168R89-A91 VanDerWaalsContact C-N 3.3Å; R89-A91 PolarHBondContact O-N 3.35Å; R89-A92 HydrophobicContact CB-CB 4.47Å; R89-A92 PolarHBondContact O-N 3.42Å; R89-A93 PolarHBondContact O-N 3.03Å; R89-E96 IonicContact CZ-OE1 2.77Å; R89-E96 IonicContact CZ-OE2 3.51Å; R89-E96 IonicContact NH1-OE1 2.79Å; R89-E96 PolarHBondContact NH1-OE1 3.32Å; R89-E96 IonicContact NH1-OE2 3.08Å; R89-E96 PolarHBondContact NH1-OE2 3.01Å; R89-E96 IonicContact NH2-OE1 3.87Å; R89-E96 PolarHBondContact NH2-OE1 3.08Å; R89-E96 IonicContact NH2-OE2 3.89Å; R89-E96 PolarHBondContact NH2-OE2 3.35Å; R89-M136 HydrophobicContact CB-CE 3.65Å; R89-M136 HydrophobicContact CB-SD 3.94Å; R89-M136 HydrophobicContact CG-CE 3.76Å; R89-M136 HydrophobicContact CG-SD 4.44Å; R89-P167 VanDerWaalsContact CD-O 3.29Å; R89-P167 WeakPolarHBondContact CD-O 3.47Å; R89-P167 VanDerWaalsContact CG-O 3.28Å; R89-P167 WeakPolarHBondContact CG-O 3.23Å; R89-P167 PolarHBondContact NH1-O 2.92Å; R89-L168 WeakPolarHBondContact CG-O 3.25Å; R89-L168 PolarHBondContact N-O 3.25Å
90F98.8Very high98.4Very high26 Ų2649.2 Ų49.211%0.11427%0.271CS..Hα-helixtrans-55.7-39.9-168.4-63.8-24.1000114I72 I75 Q76 D88 A92 A93 L94 L168I72-F90 HydrophobicContact CB-CD1 4.48Å; I72-F90 HydrophobicContact CB-CG 4.48Å; I72-F90 HydrophobicContact CD1-CB 3.87Å; I72-F90 HydrophobicContact CD1-CD1 4.16Å; I72-F90 HydrophobicContact CD1-CG 4.11Å; I72-F90 HydrophobicContact CG1-CB 4.2Å; I72-F90 HydrophobicContact CG1-CD1 3.61Å; I72-F90 HydrophobicContact CG1-CD2 4.48Å; I72-F90 HydrophobicContact CG1-CE1 4.04Å; I72-F90 HydrophobicContact CG1-CG 3.85Å; I72-F90 HydrophobicContact CG2-CB 4.37Å; I72-F90 HydrophobicContact CG2-CD1 4.34Å; I72-F90 HydrophobicContact CG2-CD2 3.71Å; I72-F90 HydrophobicContact CG2-CE2 3.97Å; I72-F90 HydrophobicContact CG2-CG 3.9Å; I72-F90 HydrophobicContact CG2-CZ 4.39Å; I75-F90 HydrophobicContact CB-CZ 4.01Å; I75-F90 HydrophobicContact CD1-CE1 3.78Å; I75-F90 HydrophobicContact CD1-CZ 3.99Å; I75-F90 HydrophobicContact CG2-CZ 3.77Å; Q76-F90 HydrophobicContact CG-CE2 4.21Å; D88-F90 HydrophobicContact CB-CD1 3.74Å; D88-F90 HydrophobicContact CB-CD2 3.84Å; D88-F90 HydrophobicContact CB-CE1 3.61Å; D88-F90 HydrophobicContact CB-CE2 3.71Å; D88-F90 HydrophobicContact CB-CG 3.87Å; D88-F90 HydrophobicContact CB-CZ 3.59Å; D88-F90 PolarHBondContact OD1-N 3.13Å; F90-A92 PolarHBondContact O-N 2.85Å; F90-A93 PolarHBondContact O-N 3.34Å; F90-L94 WeakPolarHBondContact O-CG 3.48Å; F90-L94 PolarHBondContact O-N 2.95Å; F90-L168 HydrophobicContact CE1-CB 4.36Å
91A98.6Very high98.4Very high73 Ų7345.9 Ų45.960%0.60325%0.247SC*.Hα-helixtrans-61.7-43.8177.100000112.3R89 Q95R89-A91 VanDerWaalsContact C-N 3.3Å; R89-A91 PolarHBondContact O-N 3.35Å; A91-Q95 WeakPolarHBondContact O-CG 3.35Å; A91-Q95 PolarHBondContact O-N 3.33Å
92A98.6Very high98.4Very high33 Ų3348.4 Ų48.427%0.27326%0.258SS..Hα-helixtrans-69.3-39.1176.200000111.4R89 F90 L94 Q95 E96R89-A92 HydrophobicContact CB-CB 4.47Å; R89-A92 PolarHBondContact O-N 3.42Å; F90-A92 PolarHBondContact O-N 2.85Å; A92-L94 PolarHBondContact O-N 2.99Å; A92-Q95 PolarHBondContact O-N 2.86Å; A92-E96 WeakPolarHBondContact O-CG 3.46Å; A92-E96 PolarHBondContact O-N 3.37Å
93A98.8Very high98.3Very high0 Ų051.1 Ų51.10%027%0.272CS..Hα-helixtrans-60.2-43176.400000112V68 R89 F90 E96 A97 V166 L168V68-A93 HydrophobicContact CG1-CB 4.11Å; R89-A93 PolarHBondContact O-N 3.03Å; F90-A93 PolarHBondContact O-N 3.34Å; A93-E96 PolarHBondContact O-N 3.19Å; A93-A97 WeakPolarHBondContact O-CB 3.46Å; A93-A97 PolarHBondContact O-N 2.99Å; A93-V166 HydrophobicContact CB-CG1 3.78Å; A93-V166 WeakPolarHBondContact O-CG1 3.44Å; A93-L168 HydrophobicContact CB-CD2 4.02Å
94L98.9Very high98Very high47 Ų4749.1 Ų49.125%0.24626%0.261CS..Hα-helixtrans-67-35.6176.1-73.7169.4000112.6V65 V68 Q69 I72 F90 A92 A97 A98V65-L94 HydrophobicContact CG1-CD2 4.28Å; V68-L94 HydrophobicContact CG1-CD2 3.96Å; V68-L94 HydrophobicContact CG1-CG 4.39Å; Q69-L94 HydrophobicContact CB-CD2 4.35Å; I72-L94 HydrophobicContact CD1-CD1 4.02Å; I72-L94 HydrophobicContact CD1-CD2 3.95Å; I72-L94 HydrophobicContact CD1-CG 3.71Å; F90-L94 WeakPolarHBondContact O-CG 3.48Å; F90-L94 PolarHBondContact O-N 2.95Å; A92-L94 PolarHBondContact O-N 2.99Å; L94-A97 PolarHBondContact O-N 3.1Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 3.38Å
95Q98.7Very high97.7Very high131 Ų13156 Ų5661%0.61229%0.293SS*.Hα-helixtrans-65.5-44.5173.6-72.6175.5-8.300111.8A91 A92 A97 A98 Q99A91-Q95 WeakPolarHBondContact O-CG 3.35Å; A91-Q95 PolarHBondContact O-N 3.33Å; A92-Q95 PolarHBondContact O-N 2.86Å; Q95-A97 VanDerWaalsContact C-N 3.31Å; Q95-A98 PolarHBondContact O-N 3.17Å; Q95-Q99 WeakPolarHBondContact O-CG 3.07Å; Q95-Q99 PolarHBondContact O-N 2.96Å; Q95-Q99 VanDerWaalsContact O-N 3.07Å
96E98.6Very high97.3Very high48 Ų4861.4 Ų61.422%0.22432%0.318CS..Hα-helixtrans-61.7-40.8174.2-72.9171.3178.400111.1R89 A92 A93 Q99 V100 V166R89-E96 IonicContact CZ-OE1 2.77Å; R89-E96 IonicContact CZ-OE2 3.51Å; R89-E96 IonicContact NH1-OE1 2.79Å; R89-E96 PolarHBondContact NH1-OE1 3.32Å; R89-E96 IonicContact NH1-OE2 3.08Å; R89-E96 PolarHBondContact NH1-OE2 3.01Å; R89-E96 IonicContact NH2-OE1 3.87Å; R89-E96 PolarHBondContact NH2-OE1 3.08Å; R89-E96 IonicContact NH2-OE2 3.89Å; R89-E96 PolarHBondContact NH2-OE2 3.35Å; A92-E96 WeakPolarHBondContact O-CG 3.46Å; A92-E96 PolarHBondContact O-N 3.37Å; A93-E96 PolarHBondContact O-N 3.19Å; E96-Q99 WeakPolarHBondContact O-CB 3.48Å; E96-Q99 PolarHBondContact O-N 3.17Å; E96-V100 WeakPolarHBondContact O-CG2 3.44Å; E96-V100 PolarHBondContact O-N 3Å; E96-V166 HydrophobicContact CB-CG1 4.11Å; E96-V166 HydrophobicContact CB-CG2 4.5Å
97A98.8Very high96.8Very high0 Ų062.4 Ų62.40%032%0.321CS..Hα-helixtrans-62.2-44175.800000112.4S64 V65 V68 A93 L94 Q95 Q99 V100 D101S64-A97 WeakPolarHBondContact CB-O 3.44Å; S64-A97 WeakPolarHBondContact OG-CA 3.23Å; S64-A97 WeakPolarHBondContact OG-CB 3.48Å; V65-A97 HydrophobicContact CB-CB 4.49Å; V65-A97 HydrophobicContact CG2-CB 3.82Å; V68-A97 HydrophobicContact CB-CB 4.03Å; V68-A97 HydrophobicContact CG1-CB 4.43Å; V68-A97 HydrophobicContact CG2-CB 3.86Å; A93-A97 WeakPolarHBondContact O-CB 3.46Å; A93-A97 PolarHBondContact O-N 2.99Å; L94-A97 PolarHBondContact O-N 3.1Å; Q95-A97 VanDerWaalsContact C-N 3.31Å; A97-Q99 VanDerWaalsContact C-N 3.28Å; A97-Q99 PolarHBondContact O-N 2.97Å; A97-V100 WeakPolarHBondContact O-CB 3.42Å; A97-V100 PolarHBondContact O-N 3.37Å; A97-V100 VanDerWaalsContact O-N 3.13Å; A97-D101 PolarHBondContact O-N 2.87Å
98A98.6Very high96.2Very high50 Ų5064.1 Ų64.141%0.41334%0.34SS..Hα-helixtrans-64.8-33176.500000112.6V65 L94 Q95 D101 K102V65-A98 HydrophobicContact CG2-CB 3.9Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 3.38Å; Q95-A98 PolarHBondContact O-N 3.17Å; A98-D101 PolarHBondContact O-N 3.27Å; A98-K102 PolarHBondContact O-N 2.84Å; A98-K102 VanDerWaalsContact O-N 3.11Å
99Q98.3Very high95.4Very high133 Ų13362.7 Ų62.762%0.62134%0.342SS*.Hα-helixtrans-67.6-37.1173-70.4171.37.400111.9Q95 E96 A97 K102 L103Q95-Q99 WeakPolarHBondContact O-CG 3.07Å; Q95-Q99 PolarHBondContact O-N 2.96Å; Q95-Q99 VanDerWaalsContact O-N 3.07Å; E96-Q99 WeakPolarHBondContact O-CB 3.48Å; E96-Q99 PolarHBondContact O-N 3.17Å; A97-Q99 VanDerWaalsContact C-N 3.28Å; A97-Q99 PolarHBondContact O-N 2.97Å; Q99-K102 PolarHBondContact O-N 3.07Å; Q99-L103 WeakPolarHBondContact O-CB 3.28Å; Q99-L103 PolarHBondContact O-N 3.35Å
100V97.6Very high94.9Very high17 Ų1763 Ų6310%0.10336%0.355CS..Hα-helixtrans-60.3-48.4172.5166.80000110.5I57 E96 A97 K102 L103 I104 L121I57-V100 HydrophobicContact CG2-CG1 4.15Å; E96-V100 WeakPolarHBondContact O-CG2 3.44Å; E96-V100 PolarHBondContact O-N 3Å; A97-V100 WeakPolarHBondContact O-CB 3.42Å; A97-V100 PolarHBondContact O-N 3.37Å; A97-V100 VanDerWaalsContact O-N 3.13Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 2.98Å; V100-L103 WeakPolarHBondContact O-CB 3.48Å; V100-L103 PolarHBondContact O-N 2.92Å; V100-L103 VanDerWaalsContact O-N 3.13Å; V100-I104 HydrophobicContact CG1-CD1 3.83Å; V100-I104 HydrophobicContact CG1-CG1 4.5Å; V100-I104 VanDerWaalsContact O-CG1 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.47Å; V100-I104 PolarHBondContact O-N 3.27Å; V100-I104 VanDerWaalsContact O-N 3.1Å; V100-L121 HydrophobicContact CB-CD1 4.31Å; V100-L121 HydrophobicContact CG1-CD1 3.54Å; V100-L121 HydrophobicContact CG1-CD2 4.36Å; V100-L121 HydrophobicContact CG1-CG 3.64Å; V100-L121 HydrophobicContact CG2-CD1 3.96Å
101D97.9Very high94.6Very high35 Ų3564.4 Ų64.419%0.18736%0.362CS..Hα-helixtrans-59.1-43.8179.9-68.4-31.9000111.5S63 S64 V65 A97 A98 L103 I104 E105S63-D101 WeakPolarHBondContact CB-OD2 3.26Å; S64-D101 VanDerWaalsContact CB-OD1 3.27Å; S64-D101 WeakPolarHBondContact CB-OD1 3.32Å; S64-D101 PolarHBondContact N-OD1 2.92Å; V65-D101 VanDerWaalsContact CG2-OD2 3.3Å; V65-D101 WeakPolarHBondContact CG2-OD2 3.28Å; V65-D101 PolarHBondContact N-OD2 3.05Å; V65-D101 VanDerWaalsContact N-OD2 3.13Å; A97-D101 PolarHBondContact O-N 2.87Å; A98-D101 PolarHBondContact O-N 3.27Å; D101-L103 PolarHBondContact O-N 2.73Å; D101-I104 PolarHBondContact O-N 2.97Å; D101-E105 PolarHBondContact O-N 2.95Å
102K96.8Very high94.2Very high121 Ų12167.1 Ų67.153%0.52637%0.366SS..Hα-helixtrans-63-40.7175.2-163.3-173.2-177.4-1510112.9A98 Q99 V100 I104 E105 E106A98-K102 PolarHBondContact O-N 2.84Å; A98-K102 VanDerWaalsContact O-N 3.11Å; Q99-K102 PolarHBondContact O-N 3.07Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 2.98Å; K102-I104 VanDerWaalsContact C-N 3.27Å; K102-I104 PolarHBondContact O-N 3.15Å; K102-E105 WeakPolarHBondContact O-CB 3.49Å; K102-E105 PolarHBondContact O-N 2.95Å; K102-E105 VanDerWaalsContact O-N 3.15Å; K102-E106 WeakPolarHBondContact CE-OE1 3.43Å; K102-E106 IonicContact NZ-OE1 2.66Å; K102-E106 PolarHBondContact NZ-OE1 3.11Å; K102-E106 PolarHBondContact O-N 3.32Å; K102-E106 VanDerWaalsContact O-N 3.15Å
103L95.1Very high93.9Very high58 Ų5868.3 Ų68.330%0.30437%0.37SS..Hα-helixtrans-60.4-37.9177.1176.1146000111.7Q99 V100 D101 E105 E106 E107 L114 L118Q99-L103 WeakPolarHBondContact O-CB 3.28Å; Q99-L103 PolarHBondContact O-N 3.35Å; V100-L103 WeakPolarHBondContact O-CB 3.48Å; V100-L103 PolarHBondContact O-N 2.92Å; V100-L103 VanDerWaalsContact O-N 3.13Å; D101-L103 PolarHBondContact O-N 2.73Å; L103-E105 VanDerWaalsContact C-N 3.32Å; L103-E106 PolarHBondContact O-N 2.91Å; L103-E107 WeakPolarHBondContact O-CB 3.3Å; L103-E107 PolarHBondContact O-N 3.18Å; L103-L114 HydrophobicContact CD2-CD2 3.8Å; L103-L118 HydrophobicContact CD1-CD1 4.31Å; L103-L118 HydrophobicContact CD2-CD1 4Å
104I93.6Very high93.6Very high9 Ų968.6 Ų68.65%0.04637%0.372CS..Hα-helixtrans-73.9-25.4179.1-56.8165.2000111.2I57 K60 V100 D101 K102 L121I57-I104 HydrophobicContact CG2-CD1 3.5Å; K60-I104 HydrophobicContact CD-CG2 4.34Å; K60-I104 VanDerWaalsContact CE-O 3.26Å; K60-I104 WeakPolarHBondContact CE-O 3.38Å; K60-I104 HydrophobicContact CG-CG2 3.89Å; K60-I104 PolarHBondContact NZ-O 2.94Å; V100-I104 HydrophobicContact CG1-CD1 3.83Å; V100-I104 HydrophobicContact CG1-CG1 4.5Å; V100-I104 VanDerWaalsContact O-CG1 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.47Å; V100-I104 PolarHBondContact O-N 3.27Å; V100-I104 VanDerWaalsContact O-N 3.1Å; D101-I104 PolarHBondContact O-N 2.97Å; K102-I104 VanDerWaalsContact C-N 3.27Å; K102-I104 PolarHBondContact O-N 3.15Å; I104-L121 HydrophobicContact CD1-CD2 3.69Å; I104-L121 HydrophobicContact CD1-CG 4.33Å; I104-L121 HydrophobicContact CG1-CD2 3.73Å
105E91.6Very high93.4Very high144 Ų14470.3 Ų70.367%0.67338%0.378SS*.Hα-helixtrans-69.4-38.5170.2-68.9178.2173.300112.5D101 K102 L103D101-E105 PolarHBondContact O-N 2.95Å; K102-E105 WeakPolarHBondContact O-CB 3.49Å; K102-E105 PolarHBondContact O-N 2.95Å; K102-E105 VanDerWaalsContact O-N 3.15Å; L103-E105 VanDerWaalsContact C-N 3.32Å
106E91.4Very high93.2Very high127 Ų12770.9 Ų70.959%0.59339%0.386SS*.Hα-helixtrans-84.3-20-176.9-66174.7-179.400113.4K102 L103K102-E106 WeakPolarHBondContact CE-OE1 3.43Å; K102-E106 IonicContact NZ-OE1 2.66Å; K102-E106 PolarHBondContact NZ-OE1 3.11Å; K102-E106 PolarHBondContact O-N 3.32Å; K102-E106 VanDerWaalsContact O-N 3.15Å; L103-E106 PolarHBondContact O-N 2.91Å
107E87.8Confident92.9Very high51 Ų5175 Ų7524%0.23840%0.399CS..  trans-73.1136-177.3-176.259.4-98.900113L103 G109 L114 R117L103-E107 WeakPolarHBondContact O-CB 3.3Å; L103-E107 PolarHBondContact O-N 3.18Å; E107-G109 PolarHBondContact OE1-N 3.38Å; E107-L114 HydrophobicContact CB-CD1 4.4Å; E107-L114 HydrophobicContact CB-CD2 4.33Å; E107-L114 HydrophobicContact CG-CD1 4.01Å; E107-L114 HydrophobicContact CG-CD2 3.79Å; E107-L114 HydrophobicContact CG-CG 3.78Å; E107-R117 IonicContact OE2-CZ 3.44Å; E107-R117 IonicContact OE2-NH1 3.16Å; E107-R117 PolarHBondContact OE2-NH1 2.83Å
108T85.6Confident92.8Very high139 Ų13976.2 Ų76.285%0.85341%0.406SS*.  trans-122.9-9.9-176.7550000113.4G110T108-G110 VanDerWaalsContact C-N 3.31Å; T108-G110 PolarHBondContact O-N 2.74Å
109G81.8Confident92.8Very high40 Ų4075.6 Ų75.641%0.41240%0.397SS..SBendtrans-75.9-7.5-177.400000115.9E107 V113E107-G109 PolarHBondContact OE1-N 3.38Å; G109-V113 WeakPolarHBondContact O-CG2 3.42Å
110G88.1Confident92.8Very high40 Ų4069.3 Ų69.341%0.41237%0.368SS..  trans89.5175.3179.100000115T108 D112 V113 L114T108-G110 VanDerWaalsContact C-N 3.31Å; T108-G110 PolarHBondContact O-N 2.74Å; G110-D112 PolarHBondContact O-N 3.27Å; G110-V113 PolarHBondContact O-N 2.99Å; G110-L114 PolarHBondContact O-N 3.32Å
111E91.1Very high92.8Very high56 Ų5668.6 Ų68.626%0.26236%0.364SS..Hα-helixtrans-60.1-44.5-174.9-175.6-179.3179.900112.4R58 R59 V113 L114 E115R58-E111 HydrophobicContact CB-CG 4.44Å; R59-E111 IonicContact CZ-OE1 3.4Å; R59-E111 IonicContact CZ-OE2 3.44Å; R59-E111 VanDerWaalsContact NE-CD 3.31Å; R59-E111 IonicContact NE-OE1 2.77Å; R59-E111 PolarHBondContact NE-OE1 3.4Å; R59-E111 IonicContact NE-OE2 3.12Å; R59-E111 PolarHBondContact NE-OE2 3.03Å; R59-E111 VanDerWaalsContact NE-OE2 3.12Å; R59-E111 IonicContact NH2-OE1 2.69Å; R59-E111 PolarHBondContact NH2-OE1 2.83Å; R59-E111 VanDerWaalsContact NH2-OE1 3.16Å; R59-E111 IonicContact NH2-OE2 3.5Å; R59-E111 PolarHBondContact NH2-OE2 2.7Å; E111-V113 VanDerWaalsContact C-N 3.32Å; E111-V113 PolarHBondContact O-N 3.45Å; E111-L114 PolarHBondContact O-N 3.19Å; E111-E115 PolarHBondContact O-N 3.27Å
112D91.8Very high92.8Very high130 Ų13066.9 Ų66.970%0.69536%0.355SS*.Hα-helixtrans-64.2-36.3-175.7-62.1-35.3000112.5G110 E115 D116G110-D112 PolarHBondContact O-N 3.27Å; D112-E115 PolarHBondContact O-N 3.3Å; D112-D116 PolarHBondContact O-N 3Å
113V91.8Very high92.9Very high59 Ų5961.1 Ų61.136%0.35833%0.33SS..Hα-helixtrans-68.1-39.7177.4173.80000110.8G109 G110 E111 R117G109-V113 WeakPolarHBondContact O-CG2 3.42Å; G110-V113 PolarHBondContact O-N 2.99Å; E111-V113 VanDerWaalsContact C-N 3.32Å; E111-V113 PolarHBondContact O-N 3.45Å; V113-R117 WeakPolarHBondContact O-CB 3.11Å; V113-R117 WeakPolarHBondContact O-CD 3.43Å; V113-R117 WeakPolarHBondContact O-CG 3.34Å; V113-R117 PolarHBondContact O-N 2.98Å
114L92.7Very high93.1Very high6 Ų658.4 Ų58.43%0.03132%0.315CS..Hα-helixtrans-67.6-38.5173.8-76175.2000111.7R58 L103 E107 G110 E111 L118 L121R58-L114 HydrophobicContact CG-CB 4.08Å; R58-L114 HydrophobicContact CG-CD1 4.39Å; L103-L114 HydrophobicContact CD2-CD2 3.8Å; E107-L114 HydrophobicContact CB-CD1 4.4Å; E107-L114 HydrophobicContact CB-CD2 4.33Å; E107-L114 HydrophobicContact CG-CD1 4.01Å; E107-L114 HydrophobicContact CG-CD2 3.79Å; E107-L114 HydrophobicContact CG-CG 3.78Å; G110-L114 PolarHBondContact O-N 3.32Å; E111-L114 PolarHBondContact O-N 3.19Å; L114-L118 HydrophobicContact CD2-CD1 4.38Å; L114-L118 CarbonylContact O-C 3.54Å; L114-L118 VanDerWaalsContact O-CA 3.3Å; L114-L118 WeakPolarHBondContact O-CA 3.4Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 PolarHBondContact O-N 3.14Å; L114-L121 HydrophobicContact CD1-CD2 4.47Å; L114-L121 HydrophobicContact CD2-CD2 4.35Å
115E94.6Very high93.3Very high82 Ų8258 Ų5838%0.38331%0.313SS..Hα-helixtrans-66-43.2178.9-176.3160.3162.200112.4R58 E111 D112 P119R58-E115 IonicContact CZ-OE2 3.51Å; R58-E115 IonicContact NE-OE2 3.78Å; R58-E115 VanDerWaalsContact NH2-CD 3.27Å; R58-E115 IonicContact NH2-OE1 2.96Å; R58-E115 IonicContact NH2-OE2 2.95Å; R58-E115 PolarHBondContact NH2-OE2 2.89Å; E111-E115 PolarHBondContact O-N 3.27Å; D112-E115 PolarHBondContact O-N 3.3Å; E115-P119 VanDerWaalsContact O-CA 3.29Å; E115-P119 WeakPolarHBondContact O-CA 3.31Å; E115-P119 WeakPolarHBondContact O-CB 3.46Å; E115-P119 WeakPolarHBondContact O-CD 3.4Å
116D93.1Very high93.7Very high143 Ų14351.3 Ų51.377%0.76528%0.283SS*.Hα-helixtrans-66-41.1178.1-173.661.8000112D112D112-D116 PolarHBondContact O-N 3Å
117R93.8Very high94Very high134 Ų13445.3 Ų45.351%0.50625%0.254SS..Hα-helixtrans-80.3-41-178.3-70.2168.960.1-154.8-4.4113.4E107 V113E107-R117 IonicContact OE2-CZ 3.44Å; E107-R117 IonicContact OE2-NH1 3.16Å; E107-R117 PolarHBondContact OE2-NH1 2.83Å; V113-R117 WeakPolarHBondContact O-CB 3.11Å; V113-R117 WeakPolarHBondContact O-CD 3.43Å; V113-R117 WeakPolarHBondContact O-CG 3.34Å; V113-R117 PolarHBondContact O-N 2.98Å
118L96.9Very high94.5Very high26 Ų2642.9 Ų42.914%0.13624%0.243CC..  trans-13464.8-169.5-58.7170.3000110.1L103 L114 L120 L121 R162 A163L103-L118 HydrophobicContact CD1-CD1 4.31Å; L103-L118 HydrophobicContact CD2-CD1 4Å; L114-L118 HydrophobicContact CD2-CD1 4.38Å; L114-L118 CarbonylContact O-C 3.54Å; L114-L118 VanDerWaalsContact O-CA 3.3Å; L114-L118 WeakPolarHBondContact O-CA 3.4Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 PolarHBondContact O-N 3.14Å; L118-L120 PolarHBondContact O-N 3.19Å; L118-L120 VanDerWaalsContact O-N 3.08Å; L118-L121 HydrophobicContact CB-CB 4.03Å; L118-L121 HydrophobicContact CB-CD1 4.01Å; L118-L121 HydrophobicContact CB-CG 4.47Å; L118-L121 HydrophobicContact CD1-CD1 3.69Å; L118-L121 HydrophobicContact CG-CD1 4.38Å; L118-L121 WeakPolarHBondContact O-CB 3.29Å; L118-L121 PolarHBondContact O-N 3.03Å; L118-R162 WeakPolarHBondContact CD2-O 3.33Å; L118-A163 CarbonylContact C-O 3.57Å; L118-A163 VanDerWaalsContact CA-O 3.26Å; L118-A163 WeakPolarHBondContact CA-O 3.47Å
119P97.4Very high95.1Very high37 Ų3736.2 Ų36.224%0.2420%0.202CC..THydrogen-bonded Turntrans-60.7-24.7-174.423.2-34.8000113.6A54 R58 E115 A163 I282A54-P119 WeakPolarHBondContact CB-O 3.35Å; R58-P119 PolarHBondContact NH1-O 3.02Å; E115-P119 VanDerWaalsContact O-CA 3.29Å; E115-P119 WeakPolarHBondContact O-CA 3.31Å; E115-P119 WeakPolarHBondContact O-CB 3.46Å; E115-P119 WeakPolarHBondContact O-CD 3.4Å; P119-A163 HydrophobicContact CG-CB 4.06Å; P119-I282 HydrophobicContact CG-CD1 3.72Å; P119-I282 HydrophobicContact CG-CG1 4.18Å
120L98.4Very high95.9Very high1 Ų134.4 Ų34.41%0.00518%0.183CC..THydrogen-bonded Turntrans-109.727.7179-61.8178.3000112.7A50 L118 G122 V123 L160 A163 G164 A165 I218 M279 I282A50-L120 HydrophobicContact CB-CD2 4.37Å; L118-L120 PolarHBondContact O-N 3.19Å; L118-L120 VanDerWaalsContact O-N 3.08Å; L120-G122 PolarHBondContact O-N 3.28Å; L120-G122 VanDerWaalsContact O-N 3.13Å; L120-V123 HydrophobicContact CB-CB 4.37Å; L120-V123 HydrophobicContact CB-CG2 4.42Å; L120-V123 WeakPolarHBondContact O-CB 3.48Å; L120-V123 WeakPolarHBondContact O-CG2 3.18Å; L120-V123 PolarHBondContact O-N 3Å; L120-L160 HydrophobicContact CD1-CD2 3.62Å; L120-A163 CarbonylContact C-O 3.5Å; L120-A163 PolarHBondContact N-O 3.45Å; L120-G164 CarbonylContact O-C 3.19Å; L120-G164 VanDerWaalsContact O-O 3.05Å; L120-A165 HydrophobicContact CB-CB 4.13Å; L120-A165 HydrophobicContact CD1-CB 4.33Å; L120-A165 PolarHBondContact O-N 3.04Å; L120-I218 HydrophobicContact CD1-CD1 3.92Å; L120-I218 HydrophobicContact CD2-CD1 4.37Å; L120-M279 HydrophobicContact CD1-CG 4.48Å; L120-I282 HydrophobicContact CD1-CD1 3.55Å; L120-I282 HydrophobicContact CG-CD1 3.77Å
121L98.1Very high96.4Very high2 Ų232.5 Ų32.51%0.0116%0.164CC..THydrogen-bonded Turntrans-48.8116.3-176.5-171.659.3000113.3I57 R58 V100 I104 L114 L118 V123I57-L121 WeakPolarHBondContact CD1-O 3.39Å; R58-L121 HydrophobicContact CG-CB 4.45Å; R58-L121 HydrophobicContact CG-CD2 3.82Å; V100-L121 HydrophobicContact CB-CD1 4.31Å; V100-L121 HydrophobicContact CG1-CD1 3.54Å; V100-L121 HydrophobicContact CG1-CD2 4.36Å; V100-L121 HydrophobicContact CG1-CG 3.64Å; V100-L121 HydrophobicContact CG2-CD1 3.96Å; I104-L121 HydrophobicContact CD1-CD2 3.69Å; I104-L121 HydrophobicContact CD1-CG 4.33Å; I104-L121 HydrophobicContact CG1-CD2 3.73Å; L114-L121 HydrophobicContact CD1-CD2 4.47Å; L114-L121 HydrophobicContact CD2-CD2 4.35Å; L118-L121 HydrophobicContact CB-CB 4.03Å; L118-L121 HydrophobicContact CB-CD1 4.01Å; L118-L121 HydrophobicContact CB-CG 4.47Å; L118-L121 HydrophobicContact CD1-CD1 3.69Å; L118-L121 HydrophobicContact CG-CD1 4.38Å; L118-L121 WeakPolarHBondContact O-CB 3.29Å; L118-L121 PolarHBondContact O-N 3.03Å; L121-V123 PolarHBondContact O-N 2.92Å
122G98.3Very high96.7Very high0 Ų030.2 Ų30.20%015%0.154CC..THydrogen-bonded Turntrans72.87.6176.400000114.9S64 L120 G164S64-G122 WeakPolarHBondContact OG-CA 3.5Å; L120-G122 PolarHBondContact O-N 3.28Å; L120-G122 VanDerWaalsContact O-N 3.13Å; G122-G164 PolarHBondContact N-O 3.46Å
123V98.6Very high97.1Very high0 Ų024 Ų240%012%0.121CC..  trans-78.6130.8-1771760000111A50 L53 A54 L120 L121 A165 V166 V217 I218A50-V123 HydrophobicContact CB-CG1 3.49Å; A50-V123 VanDerWaalsContact CB-CG1 3.49Å; A50-V123 HydrophobicContact CB-CG2 4.35Å; A50-V123 WeakPolarHBondContact O-CG2 3.26Å; L53-V123 HydrophobicContact CB-CG2 4.43Å; A54-V123 HydrophobicContact CB-CG2 3.64Å; L120-V123 HydrophobicContact CB-CB 4.37Å; L120-V123 HydrophobicContact CB-CG2 4.42Å; L120-V123 WeakPolarHBondContact O-CB 3.48Å; L120-V123 WeakPolarHBondContact O-CG2 3.18Å; L120-V123 PolarHBondContact O-N 3Å; L121-V123 PolarHBondContact O-N 2.92Å; V123-A165 CarbonylContact O-C 3.55Å; V123-A165 WeakPolarHBondContact O-CA 3.42Å; V123-V166 PolarHBondContact O-N 3.05Å; V123-V217 HydrophobicContact CG1-CG1 3.73Å; V123-I218 HydrophobicContact CG1-CD1 3.69Å; V123-I218 HydrophobicContact CG1-CG1 3.96Å
124P98.6Very high97.4Very high0 Ų026.7 Ų26.70%013%0.129CC..EExtended strand (participates in β ladder)trans-68.8136.6176.7-18.731.8000113.8V67 V68 Y71 V166 L168 V217 I218V67-P124 HydrophobicContact CG1-CG 3.89Å; V68-P124 HydrophobicContact CG2-CG 4.15Å; Y71-P124 HydrophobicContact CD1-CB 4.39Å; Y71-P124 HydrophobicContact CD1-CG 4.49Å; Y71-P124 HydrophobicContact CD2-CB 4.32Å; Y71-P124 HydrophobicContact CD2-CG 3.61Å; Y71-P124 HydrophobicContact CE2-CG 4.02Å; Y71-P124 HydrophobicContact CG-CB 4.08Å; Y71-P124 HydrophobicContact CG-CG 3.86Å; P124-V166 WeakPolarHBondContact CA-O 3.38Å; P124-L168 HydrophobicContact CB-CD1 3.73Å; P124-L168 HydrophobicContact CB-CD2 4.14Å; P124-L168 HydrophobicContact CB-CG 3.91Å; P124-V217 WeakPolarHBondContact O-CG1 3.33Å; P124-I218 VanDerWaalsContact O-CG1 3.3Å; P124-I218 WeakPolarHBondContact O-CG1 3.49Å
125L98.7Very high97.6Very high0 Ų028.8 Ų28.80%015%0.153CC..EExtended strand (participates in β ladder)trans-126.4134.6-176.8173.768.7000111.7V127 L160 A165 V166 P167 L168 I218 V220L125-V127 HydrophobicContact CD2-CG2 4.26Å; L125-V127 HydrophobicContact CG-CG2 4.23Å; L125-L160 HydrophobicContact CD1-CD1 4.15Å; L125-L160 HydrophobicContact CD2-CB 3.89Å; L125-L160 HydrophobicContact CD2-CD1 4.02Å; L125-A165 HydrophobicContact CB-CB 4.22Å; L125-A165 HydrophobicContact CD2-CB 4.24Å; L125-V166 PolarHBondContact N-O 2.75Å; L125-P167 HydrophobicContact CD2-CG 4.33Å; L125-P167 CarbonylContact O-C 3.55Å; L125-P167 VanDerWaalsContact O-CA 3.27Å; L125-P167 WeakPolarHBondContact O-CA 3.27Å; L125-L168 PolarHBondContact O-N 2.75Å; L125-I218 HydrophobicContact CB-CG1 4.4Å; L125-I218 HydrophobicContact CD1-CD1 4.16Å; L125-I218 HydrophobicContact CD1-CG1 3.95Å; L125-V220 HydrophobicContact CD1-CG2 4.35Å
126S98.8Very high97.8Very high5 Ų525.3 Ų25.34%0.03514%0.136CC..EExtended strand (participates in β ladder)trans-98.3152163.853.10000111.6E207 A216 I218 G219 V220S126-E207 WeakPolarHBondContact CB-OE1 3.49Å; S126-E207 WeakPolarHBondContact CB-OE2 3.27Å; S126-E207 PolarHBondContact OG-OE2 2.81Å; S126-A216 WeakPolarHBondContact OG-CB 3.24Å; S126-I218 PolarHBondContact N-O 3.4Å; S126-I218 PolarHBondContact OG-O 2.97Å; S126-G219 VanDerWaalsContact O-CA 3.31Å; S126-G219 WeakPolarHBondContact O-CA 3.47Å; S126-V220 PolarHBondContact O-N 2.88Å
127V98.8Very high98.1Very high0 Ų019.2 Ų19.20%011%0.105CC..EExtended strand (participates in β ladder)trans-131.6126.2-179.6-178.50000110.1L125 E129 Y131 L133 V157 G169 V170 T171 E207L125-V127 HydrophobicContact CD2-CG2 4.26Å; L125-V127 HydrophobicContact CG-CG2 4.23Å; V127-E129 PolarHBondContact O-N 3.41Å; V127-Y131 HydrophobicContact CG1-CG 4.48Å; V127-L133 HydrophobicContact CB-CD2 4.22Å; V127-L133 HydrophobicContact CG1-CB 4.42Å; V127-L133 HydrophobicContact CG2-CD2 4.1Å; V127-V157 HydrophobicContact CG1-CG2 3.77Å; V127-V157 HydrophobicContact CG2-CG1 4.14Å; V127-V157 HydrophobicContact CG2-CG2 4.31Å; V127-G169 PolarHBondContact N-O 3.14Å; V127-V170 HydrophobicContact CB-CG1 4.46Å; V127-V170 CarbonylContact O-C 3.56Å; V127-V170 WeakPolarHBondContact O-CA 3.39Å; V127-T171 PolarHBondContact O-N 3.49Å; V127-E207 WeakPolarHBondContact CA-OE1 3.38Å; V127-E207 PolarHBondContact N-OE1 3.47Å; V127-E207 VanDerWaalsContact N-OE1 3.14Å
128K98.7Very high98.3Very high0 Ų013.7 Ų13.70%09%0.085CC..EExtended strand (participates in β ladder)trans-58.8129.8172.7-178.8-175.2-178173.80110.2S130 Y131 T173 C177 S203 S204 E207 V220 S222K128-S130 WeakPolarHBondContact CD-OG 3.39Å; K128-S130 VanDerWaalsContact CE-OG 3.28Å; K128-S130 WeakPolarHBondContact CE-OG 3.48Å; K128-S130 WeakPolarHBondContact CG-OG 3.35Å; K128-S130 PolarHBondContact O-N 2.9Å; K128-Y131 HydrophobicContact CB-CD2 3.86Å; K128-Y131 HydrophobicContact CB-CE2 4.14Å; K128-Y131 HydrophobicContact CD-CD2 4.42Å; K128-Y131 HydrophobicContact CD-CE2 4.14Å; K128-Y131 HydrophobicContact CG-CD2 4.42Å; K128-Y131 WeakPolarHBondContact O-CB 3.34Å; K128-Y131 WeakPolarHBondContact O-CD2 3.36Å; K128-Y131 PolarHBondContact O-N 3.11Å; K128-T173 HydrophobicContact CD-CG2 4.05Å; K128-T173 VanDerWaalsContact CE-CG2 3.49Å; K128-T173 HydrophobicContact CG-CG2 3.34Å; K128-C177 VanDerWaalsContact CE-SG 3.6Å; K128-S203 PolarHBondContact NZ-OG 3.35Å; K128-S204 VanDerWaalsContact CD-OG 3.3Å; K128-S204 WeakPolarHBondContact CD-OG 3.31Å; K128-S204 WeakPolarHBondContact CE-OG 3.39Å; K128-S204 PolarHBondContact NZ-OG 2.62Å; K128-E207 HydrophobicContact CB-CG 3.87Å; K128-E207 PolarHBondContact N-OE1 3.27Å; K128-V220 WeakPolarHBondContact CB-O 3.49Å; K128-V220 PolarHBondContact N-O 3.34Å; K128-S222 PolarHBondContact NZ-O 3.42Å; K128-S222 PolarHBondContact NZ-OG 3.28Å
129E98.2Very high98.3Very high0 Ų012.4 Ų12.40%08%0.079CC..THydrogen-bonded Turntrans-60.5-16.3-174.4-165.6-133.1-176.100114.2V86 V127 Y131 P137 L138 S139 T140 V170 T171 Y187V86-E129 HydrophobicContact CG2-CG 4.43Å; V127-E129 PolarHBondContact O-N 3.41Å; E129-Y131 PolarHBondContact O-N 3.5Å; E129-P137 WeakPolarHBondContact CG-O 3.49Å; E129-L138 VanDerWaalsContact O-CD1 3.25Å; E129-L138 WeakPolarHBondContact O-CD1 3.43Å; E129-S139 VanDerWaalsContact CD-OG 3.32Å; E129-S139 VanDerWaalsContact OE1-CB 3.31Å; E129-S139 WeakPolarHBondContact OE1-CB 3.44Å; E129-S139 PolarHBondContact OE1-N 3.23Å; E129-S139 PolarHBondContact OE1-OG 3.01Å; E129-S139 PolarHBondContact OE2-OG 3.28Å; E129-T140 WeakPolarHBondContact OE2-CA 3.33Å; E129-T140 PolarHBondContact OE2-N 3.35Å; E129-V170 HydrophobicContact CB-CB 4.05Å; E129-V170 HydrophobicContact CB-CG2 4.31Å; E129-V170 HydrophobicContact CG-CB 4.21Å; E129-V170 HydrophobicContact CG-CG2 3.98Å; E129-T171 VanDerWaalsContact CB-O 3.22Å; E129-T171 WeakPolarHBondContact CB-O 3.33Å; E129-T171 PolarHBondContact N-O 3.1Å; E129-T171 VanDerWaalsContact N-O 3.14Å; E129-Y187 WeakPolarHBondContact OE1-CE2 3.45Å; E129-Y187 PolarHBondContact OE1-OH 2.94Å; E129-Y187 WeakPolarHBondContact OE2-CE2 3.1Å
130S97.8Very high98.2Very high2 Ų210.7 Ų10.71%0.0147%0.067CC..THydrogen-bonded Turntrans-69-12171.565.80000113.7K128 C177 Q252 Y253K128-S130 WeakPolarHBondContact CD-OG 3.39Å; K128-S130 VanDerWaalsContact CE-OG 3.28Å; K128-S130 WeakPolarHBondContact CE-OG 3.48Å; K128-S130 WeakPolarHBondContact CG-OG 3.35Å; K128-S130 PolarHBondContact O-N 2.9Å; S130-C177 VanDerWaalsContact CB-SG 3.55Å; S130-Q252 CarbonylContact O-C 3Å; S130-Q252 WeakPolarHBondContact O-CA 3.37Å; S130-Q252 WeakPolarHBondContact O-CB 3.3Å; S130-Y253 VanDerWaalsContact CB-O 3.22Å; S130-Y253 WeakPolarHBondContact CB-O 3.44Å; S130-Y253 PolarHBondContact O-N 3.04Å
131Y98.3Very high98Very high0 Ų010.7 Ų10.70%07%0.067CC..BIsolated β-bridgetrans-95.6138.7173.3-69.7-106.8000109.8V127 K128 E129 L133 A154 P156 V157 V220 G221 S222 Q252 S266V127-Y131 HydrophobicContact CG1-CG 4.48Å; K128-Y131 HydrophobicContact CB-CD2 3.86Å; K128-Y131 HydrophobicContact CB-CE2 4.14Å; K128-Y131 HydrophobicContact CD-CD2 4.42Å; K128-Y131 HydrophobicContact CD-CE2 4.14Å; K128-Y131 HydrophobicContact CG-CD2 4.42Å; K128-Y131 WeakPolarHBondContact O-CB 3.34Å; K128-Y131 WeakPolarHBondContact O-CD2 3.36Å; K128-Y131 PolarHBondContact O-N 3.11Å; E129-Y131 PolarHBondContact O-N 3.5Å; Y131-L133 PolarHBondContact O-N 3.43Å; Y131-A154 HydrophobicContact CD1-CB 4.03Å; Y131-P156 HydrophobicContact CD1-CG 4.16Å; Y131-P156 HydrophobicContact CE1-CG 3.89Å; Y131-V157 HydrophobicContact CD1-CG2 4.3Å; Y131-V220 HydrophobicContact CD1-CG1 4.1Å; Y131-V220 HydrophobicContact CD2-CG1 4.48Å; Y131-V220 HydrophobicContact CE1-CG1 3.62Å; Y131-V220 HydrophobicContact CE2-CG1 4.06Å; Y131-G221 PolarHBondContact OH-O 2.91Å; Y131-S222 WeakPolarHBondContact OH-CA 3.18Å; Y131-S222 VanDerWaalsContact OH-CB 3.29Å; Y131-S222 WeakPolarHBondContact OH-CB 3.48Å; Y131-S222 PolarHBondContact OH-N 2.86Å; Y131-Q252 HydrophobicContact CD1-CG 3.8Å; Y131-Q252 VanDerWaalsContact CE1-CD 3.41Å; Y131-Q252 HydrophobicContact CE1-CG 3.96Å; Y131-Q252 HydrophobicContact CG-CG 4.09Å; Y131-Q252 VanDerWaalsContact CZ-NE2 3.3Å; Y131-Q252 PolarHBondContact OH-NE2 3.49Å; Y131-S266 WeakPolarHBondContact OH-CB 3.18Å; Y131-S266 PolarHBondContact OH-OG 3.47Å
132S98.4Very high97.9Very high7 Ų710.6 Ų10.65%0.0497%0.067CC..  trans-64.3120.1169.1-58.40000109.9L138 V152 D153 A154 N251S132-L138 WeakPolarHBondContact OG-CD2 3.37Å; S132-V152 WeakPolarHBondContact CB-O 3.36Å; S132-D153 CarbonylContact O-C 3.55Å; S132-D153 WeakPolarHBondContact O-CA 3.47Å; S132-A154 PolarHBondContact O-N 3.22Å; S132-N251 VanDerWaalsContact CB-O 3.29Å; S132-N251 WeakPolarHBondContact CB-O 2.95Å; S132-N251 PolarHBondContact N-O 2.9Å; S132-N251 PolarHBondContact OG-O 2.94Å
133L98.6Very high97.7Very high0 Ų012.9 Ų12.90%08%0.079CC..  trans-122.2117.3166.1170.659.3000106.1V127 Y131 G135 M136 A150 D153 V157 K161 P167 V170V127-L133 HydrophobicContact CB-CD2 4.22Å; V127-L133 HydrophobicContact CG1-CB 4.42Å; V127-L133 HydrophobicContact CG2-CD2 4.1Å; Y131-L133 PolarHBondContact O-N 3.43Å; L133-G135 PolarHBondContact O-N 2.9Å; L133-M136 HydrophobicContact CB-CB 4.17Å; L133-M136 HydrophobicContact CB-CG 4.11Å; L133-M136 HydrophobicContact CD2-CB 4.48Å; L133-M136 HydrophobicContact CD2-CE 4.45Å; L133-M136 HydrophobicContact CD2-CG 3.72Å; L133-M136 HydrophobicContact CG-CB 4.25Å; L133-M136 HydrophobicContact CG-CG 3.62Å; L133-M136 VanDerWaalsContact O-CB 3.24Å; L133-M136 WeakPolarHBondContact O-CB 3.45Å; L133-M136 PolarHBondContact O-N 2.79Å; L133-A150 WeakPolarHBondContact O-CB 3.3Å; L133-D153 WeakPolarHBondContact CD1-OD1 3.43Å; L133-V157 HydrophobicContact CD1-CG1 3.86Å; L133-K161 HydrophobicContact CD1-CD 4.39Å; L133-P167 HydrophobicContact CD1-CB 4.18Å; L133-P167 HydrophobicContact CD1-CG 4.18Å; L133-P167 HydrophobicContact CD2-CB 3.98Å; L133-V170 HydrophobicContact CB-CG1 4.2Å; L133-V170 HydrophobicContact CD2-CG1 3.96Å
134Q98.4Very high97.4Very high115 Ų11515.1 Ų15.154%0.53710%0.095SC..THydrogen-bonded Turntrans-51.9127.9-169-176-179.822.300111.9M136 D153Q134-M136 VanDerWaalsContact C-N 3.29Å; Q134-M136 PolarHBondContact O-N 3.38Å; Q134-D153 WeakPolarHBondContact CB-OD1 3.26Å; Q134-D153 PolarHBondContact N-OD1 3.38Å
135G98.2Very high97.2Very high51 Ų5117.2 Ų17.253%0.52610%0.103SC..THydrogen-bonded Turntrans81.8-1.8-17900000115L133 A150L133-G135 PolarHBondContact O-N 2.9Å; G135-A150 PolarHBondContact N-O 3.46Å
136M98.6Very high97Very high8 Ų826.1 Ų26.14%0.03914%0.136CC..SBendtrans-103.6158.2-179.8-55.8-64-10000112K87 R89 L133 Q134 A150 V170K87-M136 HydrophobicContact CG-CE 4.12Å; K87-M136 HydrophobicContact CG-SD 4.26Å; K87-M136 VanDerWaalsContact O-CE 3.27Å; K87-M136 WeakPolarHBondContact O-CE 3.29Å; R89-M136 HydrophobicContact CB-CE 3.65Å; R89-M136 HydrophobicContact CB-SD 3.94Å; R89-M136 HydrophobicContact CG-CE 3.76Å; R89-M136 HydrophobicContact CG-SD 4.44Å; L133-M136 HydrophobicContact CB-CB 4.17Å; L133-M136 HydrophobicContact CB-CG 4.11Å; L133-M136 HydrophobicContact CD2-CB 4.48Å; L133-M136 HydrophobicContact CD2-CE 4.45Å; L133-M136 HydrophobicContact CD2-CG 3.72Å; L133-M136 HydrophobicContact CG-CB 4.25Å; L133-M136 HydrophobicContact CG-CG 3.62Å; L133-M136 VanDerWaalsContact O-CB 3.24Å; L133-M136 WeakPolarHBondContact O-CB 3.45Å; L133-M136 PolarHBondContact O-N 2.79Å; Q134-M136 VanDerWaalsContact C-N 3.29Å; Q134-M136 PolarHBondContact O-N 3.38Å; M136-A150 PolarHBondContact O-N 3.47Å; M136-V170 HydrophobicContact CB-CG1 3.85Å; M136-V170 HydrophobicContact CB-CG2 4.4Å; M136-V170 HydrophobicContact CE-CG2 4.48Å; M136-V170 HydrophobicContact CG-CG1 4.3Å
137P98.4Very high96.8Very high16 Ų1628.9 Ų28.910%0.10417%0.166CC..BIsolated β-bridgetrans-56.8144.8175.2-25.735.2000113.1K87 E129 I149 Y187K87-P137 HydrophobicContact CB-CG 4.01Å; K87-P137 HydrophobicContact CG-CG 4.01Å; E129-P137 WeakPolarHBondContact CG-O 3.49Å; P137-I149 HydrophobicContact CG-CD1 4.39Å; P137-Y187 WeakPolarHBondContact CB-OH 3.3Å
138L97.6Very high96.7Very high17 Ų1731.3 Ų31.39%0.08918%0.181CC..  trans-132.751.9172.2-174.564.5000109.2E129 S132 R145 V148 A150E129-L138 VanDerWaalsContact O-CD1 3.25Å; E129-L138 WeakPolarHBondContact O-CD1 3.43Å; S132-L138 WeakPolarHBondContact OG-CD2 3.37Å; L138-R145 PolarHBondContact O-NE 2.91Å; L138-R145 PolarHBondContact O-NH2 2.98Å; L138-V148 HydrophobicContact CB-CG1 4.3Å; L138-V148 PolarHBondContact N-O 2.91Å; L138-A150 HydrophobicContact CB-CB 4.43Å
139S96.8Very high96.7Very high0 Ų035.9 Ų35.90%020%0.204CC..  trans-83.5-32-177.575.80000112.2E129 G141 L142 L186 Y187E129-S139 VanDerWaalsContact CD-OG 3.32Å; E129-S139 VanDerWaalsContact OE1-CB 3.31Å; E129-S139 WeakPolarHBondContact OE1-CB 3.44Å; E129-S139 PolarHBondContact OE1-N 3.23Å; E129-S139 PolarHBondContact OE1-OG 3.01Å; E129-S139 PolarHBondContact OE2-OG 3.28Å; S139-G141 PolarHBondContact O-N 2.86Å; S139-G141 PolarHBondContact OG-N 3.37Å; S139-L142 PolarHBondContact O-N 3.19Å; S139-L186 WeakPolarHBondContact OG-CD2 3.44Å; S139-Y187 WeakPolarHBondContact OG-CE2 3.41Å; S139-Y187 PolarHBondContact OG-OH 3.47Å
140T96Very high96.7Very high0 Ų036.1 Ų36.10%021%0.206CC..THydrogen-bonded Turntrans54.740.8-173.5-41.20000111.9E129 L142 L176 C177 Y253E129-T140 WeakPolarHBondContact OE2-CA 3.33Å; E129-T140 PolarHBondContact OE2-N 3.35Å; T140-L142 VanDerWaalsContact C-N 3.28Å; T140-L142 PolarHBondContact O-N 3.44Å; T140-L176 PolarHBondContact O-N 3.07Å; T140-C177 VanDerWaalsContact CG2-SG 3.58Å; T140-Y253 WeakPolarHBondContact CG2-O 3.14Å; T140-Y253 WeakPolarHBondContact OG1-CD1 3.35Å; T140-Y253 PolarHBondContact OG1-O 3.31Å
141G95.1Very high96.7Very high1 Ų140.5 Ų40.51%0.0124%0.237CC..THydrogen-bonded Turntrans73.58.6178.500000115.7S139 N184S139-G141 PolarHBondContact O-N 2.86Å; S139-G141 PolarHBondContact OG-N 3.37Å; G141-N184 VanDerWaalsContact CA-CG 3.46Å; G141-N184 WeakPolarHBondContact O-CB 3.39Å
142L95.1Very high96.7Very high0 Ų043.7 Ų43.70%026%0.256CS..  trans-91.8126.7177.6-71.7177.9000112.4S139 T140 S144 R145 R146 E175 L176 Y253 L377S139-L142 PolarHBondContact O-N 3.19Å; T140-L142 VanDerWaalsContact C-N 3.28Å; T140-L142 PolarHBondContact O-N 3.44Å; L142-S144 VanDerWaalsContact C-N 3.29Å; L142-S144 PolarHBondContact O-N 3.23Å; L142-R145 HydrophobicContact CB-CB 4.11Å; L142-R145 HydrophobicContact CB-CG 4.1Å; L142-R145 HydrophobicContact CD1-CG 4.23Å; L142-R145 CarbonylContact O-C 3.57Å; L142-R145 PolarHBondContact O-N 3.41Å; L142-R146 PolarHBondContact O-N 2.85Å; L142-E175 HydrophobicContact CD2-CG 3.88Å; L142-L176 HydrophobicContact CD1-CD1 4.24Å; L142-L176 HydrophobicContact CD1-CD2 3.46Å; L142-L176 VanDerWaalsContact CD1-CD2 3.46Å; L142-L176 HydrophobicContact CD1-CG 3.8Å; L142-L176 HydrophobicContact CD2-CD1 4.23Å; L142-L176 HydrophobicContact CD2-CG 4.02Å; L142-L176 HydrophobicContact CG-CD2 4.08Å; L142-L176 HydrophobicContact CG-CG 3.98Å; L142-Y253 HydrophobicContact CD1-CE1 4.23Å; L142-L377 VanDerWaalsContact CD1-O 3.28Å; L142-L377 WeakPolarHBondContact CD1-O 3.33Å
143L93.3Very high96.7Very high48 Ų4844.9 Ų44.925%0.25126%0.262SS..G310 helixtrans-60.3-38.3174.7-74.2175.6000112.3R145 R146 H185 L186 E400L143-R145 PolarHBondContact O-N 3.06Å; L143-R146 WeakPolarHBondContact O-CB 3.31Å; L143-R146 WeakPolarHBondContact O-CG 3.37Å; L143-R146 PolarHBondContact O-N 3.48Å; L143-H185 HydrophobicContact CD1-CB 4.07Å; L143-H185 HydrophobicContact CG-CB 4.44Å; L143-L186 HydrophobicContact CD2-CB 3.96Å; L143-L186 HydrophobicContact CD2-CD1 3.86Å; L143-L186 HydrophobicContact CD2-CG 4.5Å; L143-E400 HydrophobicContact CD1-CB 3.77Å; L143-E400 HydrophobicContact CD1-CG 3.92Å
144S92.3Very high96.7Very high48 Ų4844.9 Ų44.934%0.33626%0.262SS..G310 helixtrans-61.7-23.117659.80000113.1L142L142-S144 VanDerWaalsContact C-N 3.29Å; L142-S144 PolarHBondContact O-N 3.23Å
145R94.6Very high96.7Very high43 Ų4340.9 Ų40.916%0.16225%0.246CC..G310 helixtrans-106.710.3-178.9-62178.759.485.61.3113.9L138 L142 L143 G147 V148 Y253L138-R145 PolarHBondContact O-NE 2.91Å; L138-R145 PolarHBondContact O-NH2 2.98Å; L142-R145 HydrophobicContact CB-CB 4.11Å; L142-R145 HydrophobicContact CB-CG 4.1Å; L142-R145 HydrophobicContact CD1-CG 4.23Å; L142-R145 CarbonylContact O-C 3.57Å; L142-R145 PolarHBondContact O-N 3.41Å; L143-R145 PolarHBondContact O-N 3.06Å; R145-G147 PolarHBondContact O-N 3.28Å; R145-V148 HydrophobicContact CB-CG2 3.94Å; R145-V148 HydrophobicContact CG-CG2 4.38Å; R145-V148 WeakPolarHBondContact O-CB 3.4Å; R145-V148 WeakPolarHBondContact O-CG2 3.38Å; R145-V148 PolarHBondContact O-N 3.33Å; R145-Y253 VanDerWaalsContact CD-CE1 3.46Å
146R94.8Very high96.7Very high187 Ų18738.5 Ų38.571%0.70622%0.221SC*.THydrogen-bonded Turntrans-54.4-24.8-177.670.8-175.3-179.3-174.2-2.7115L142 L143 L186L142-R146 PolarHBondContact O-N 2.85Å; L143-R146 WeakPolarHBondContact O-CB 3.31Å; L143-R146 WeakPolarHBondContact O-CG 3.37Å; L143-R146 PolarHBondContact O-N 3.48Å; R146-L186 HydrophobicContact CB-CD1 3.78Å; R146-L186 HydrophobicContact CB-CD2 4.18Å
147G95.4Very high96.7Very high64 Ų6438.1 Ų38.166%0.6622%0.219SC*.THydrogen-bonded Turntrans-94.9-0179.100000114.7R145 I149R145-G147 PolarHBondContact O-N 3.28Å; G147-I149 PolarHBondContact O-N 3.14Å
148V97Very high96.7Very high51 Ų5138 Ų3831%0.30922%0.219SC..  trans-80.2118.2-178.4-177.50000109.5L138 R145L138-V148 HydrophobicContact CB-CG1 4.3Å; L138-V148 PolarHBondContact N-O 2.91Å; R145-V148 HydrophobicContact CB-CG2 3.94Å; R145-V148 HydrophobicContact CG-CG2 4.38Å; R145-V148 WeakPolarHBondContact O-CB 3.4Å; R145-V148 WeakPolarHBondContact O-CG2 3.38Å; R145-V148 PolarHBondContact O-N 3.33Å
149I98.2Very high96.8Very high96 Ų9639.1 Ų39.149%0.49223%0.225SC..BIsolated β-bridgetrans-112.2133.4177.1-56.3-57.8000108.9P137 G147 S151P137-I149 HydrophobicContact CG-CD1 4.39Å; G147-I149 PolarHBondContact O-N 3.14Å; I149-S151 PolarHBondContact O-N 2.67Å
150A98.2Very high96.9Very high5 Ų539.1 Ų39.14%0.04123%0.225CC..  trans-66.5128.7176.900000111L133 G135 M136 L138L133-A150 WeakPolarHBondContact O-CB 3.3Å; G135-A150 PolarHBondContact N-O 3.46Å; M136-A150 PolarHBondContact O-N 3.47Å; L138-A150 HydrophobicContact CB-CB 4.43Å
151S97.7Very high97Very high94 Ų9441.5 Ų41.566%0.65724%0.236SC*.SBendtrans-88.6-18.6178.755.10000113.5I149I149-S151 PolarHBondContact O-N 2.67Å
152V98.1Very high97.2Very high66 Ų6649.1 Ų49.140%0.426%0.264SS..SBendtrans-139.3164.4-177-62.30000110.4S132S132-V152 WeakPolarHBondContact CB-O 3.36Å
153D98.7Very high97.3Very high32 Ų3249.5 Ų49.517%0.17127%0.267CS..  trans-83.2140168.4-66.3-33.7000110.3S132 L133 Q134 V157 A158 K161S132-D153 CarbonylContact O-C 3.55Å; S132-D153 WeakPolarHBondContact O-CA 3.47Å; L133-D153 WeakPolarHBondContact CD1-OD1 3.43Å; Q134-D153 WeakPolarHBondContact CB-OD1 3.26Å; Q134-D153 PolarHBondContact N-OD1 3.38Å; D153-V157 HydrophobicContact CB-CG1 4.49Å; D153-A158 HydrophobicContact CB-CB 3.82Å; D153-K161 IonicContact OD1-NZ 3.36Å; D153-K161 WeakPolarHBondContact OD2-CD 3.44Å; D153-K161 WeakPolarHBondContact OD2-CE 3.45Å; D153-K161 IonicContact OD2-NZ 3.57Å; D153-K161 PolarHBondContact OD2-NZ 3.09Å
154A98.4Very high97.6Very high0 Ų047.6 Ų47.60%026%0.259CS..  trans-62.4145.3166.800000109.9Y131 S132 V157 A158 N251Y131-A154 HydrophobicContact CD1-CB 4.03Å; S132-A154 PolarHBondContact O-N 3.22Å; A154-V157 HydrophobicContact CB-CG2 4.28Å; A154-V157 WeakPolarHBondContact O-CA 3.22Å; A154-V157 WeakPolarHBondContact O-CB 3.21Å; A154-V157 PolarHBondContact O-N 3.24Å; A154-A158 PolarHBondContact O-N 3.44Å; A154-N251 HydrophobicContact CB-CB 4.13Å
155P98.4Very high97.9Very high31 Ų3145.6 Ų45.620%0.20125%0.245CC..Hα-helixtrans-50.3-47.3-173.8-28.435.8000115.7V157 A158 L159 E250P155-V157 VanDerWaalsContact C-N 3.32Å; P155-V157 PolarHBondContact O-N 3.14Å; P155-A158 PolarHBondContact O-N 3.41Å; P155-L159 VanDerWaalsContact O-CG 3.26Å; P155-L159 WeakPolarHBondContact O-CG 3.39Å; P155-L159 PolarHBondContact O-N 2.99Å; P155-E250 WeakPolarHBondContact CD-O 3.27Å; P155-E250 HydrophobicContact CG-CB 4.08Å
156P98.3Very high98.1Very high1 Ų143.7 Ų43.71%0.00624%0.238CC..Hα-helixtrans-63.5-35.7177.122.6-32.6000113.3Y131 L159 L160 V247 M283Y131-P156 HydrophobicContact CD1-CG 4.16Å; Y131-P156 HydrophobicContact CE1-CG 3.89Å; P156-L159 PolarHBondContact O-N 3.08Å; P156-L160 WeakPolarHBondContact O-CG 3.44Å; P156-L160 PolarHBondContact O-N 3.45Å; P156-V247 HydrophobicContact CB-CG1 3.9Å; P156-V247 HydrophobicContact CG-CG1 4.22Å; P156-M283 HydrophobicContact CB-CB 4.34Å; P156-M283 HydrophobicContact CB-CE 4.01Å; P156-M283 HydrophobicContact CB-CG 4.24Å
157V98.6Very high98.3Very high0 Ų034.8 Ų34.80%021%0.205CC..Hα-helixtrans-67.7-45177.2179.30000110.3V127 Y131 L133 D153 A154 P155 L159 L160 K161V127-V157 HydrophobicContact CG1-CG2 3.77Å; V127-V157 HydrophobicContact CG2-CG1 4.14Å; V127-V157 HydrophobicContact CG2-CG2 4.31Å; Y131-V157 HydrophobicContact CD1-CG2 4.3Å; L133-V157 HydrophobicContact CD1-CG1 3.86Å; D153-V157 HydrophobicContact CB-CG1 4.49Å; A154-V157 HydrophobicContact CB-CG2 4.28Å; A154-V157 WeakPolarHBondContact O-CA 3.22Å; A154-V157 WeakPolarHBondContact O-CB 3.21Å; A154-V157 PolarHBondContact O-N 3.24Å; P155-V157 VanDerWaalsContact C-N 3.32Å; P155-V157 PolarHBondContact O-N 3.14Å; V157-L159 VanDerWaalsContact C-N 3.3Å; V157-L159 PolarHBondContact O-N 3.43Å; V157-L160 PolarHBondContact O-N 2.95Å; V157-K161 HydrophobicContact CG1-CD 4.26Å; V157-K161 WeakPolarHBondContact O-CG 3.35Å; V157-K161 PolarHBondContact O-N 3.13Å
158A98.7Very high98.4Very high13 Ų1331.9 Ų31.911%0.10717%0.174CC..Hα-helixtrans-60.9-39.1176.300000112.2D153 A154 P155 R162D153-A158 HydrophobicContact CB-CB 3.82Å; A154-A158 PolarHBondContact O-N 3.44Å; P155-A158 PolarHBondContact O-N 3.41Å; A158-R162 WeakPolarHBondContact O-CB 3.3Å; A158-R162 WeakPolarHBondContact O-CG 3.47Å; A158-R162 PolarHBondContact O-N 2.65Å; A158-R162 PolarHBondContact O-NE 3.32Å
159L98.8Very high98.5Very high41 Ų4129.6 Ų29.622%0.21516%0.161CC..Hα-helixtrans-66-43.3176.7-71.5165.8000111.8P155 P156 V157 R162 A163 I282P155-L159 VanDerWaalsContact O-CG 3.26Å; P155-L159 WeakPolarHBondContact O-CG 3.39Å; P155-L159 PolarHBondContact O-N 2.99Å; P156-L159 PolarHBondContact O-N 3.08Å; V157-L159 VanDerWaalsContact C-N 3.3Å; V157-L159 PolarHBondContact O-N 3.43Å; L159-R162 PolarHBondContact O-N 2.97Å; L159-A163 WeakPolarHBondContact O-CB 3.26Å; L159-A163 PolarHBondContact O-N 3.31Å; L159-I282 HydrophobicContact CB-CG2 3.98Å; L159-I282 WeakPolarHBondContact CD1-O 3.38Å; L159-I282 WeakPolarHBondContact O-CG2 3.4Å
160L98.8Very high98.5Very high0 Ų025 Ų250%014%0.138CC..Hα-helixtrans-64.4-42.7176.3-70.5166000112.3L120 L125 P156 V157 R162 A163 G164 A165 V220 I282 M283L120-L160 HydrophobicContact CD1-CD2 3.62Å; L125-L160 HydrophobicContact CD1-CD1 4.15Å; L125-L160 HydrophobicContact CD2-CB 3.89Å; L125-L160 HydrophobicContact CD2-CD1 4.02Å; P156-L160 WeakPolarHBondContact O-CG 3.44Å; P156-L160 PolarHBondContact O-N 3.45Å; V157-L160 PolarHBondContact O-N 2.95Å; L160-R162 PolarHBondContact O-N 3.15Å; L160-A163 CarbonylContact O-C 3.26Å; L160-A163 WeakPolarHBondContact O-CB 3.35Å; L160-A163 PolarHBondContact O-N 2.69Å; L160-A163 VanDerWaalsContact O-N 3.14Å; L160-G164 PolarHBondContact O-N 2.97Å; L160-A165 HydrophobicContact CB-CB 4.37Å; L160-A165 VanDerWaalsContact O-CB 3.31Å; L160-A165 WeakPolarHBondContact O-CB 3.29Å; L160-A165 PolarHBondContact O-N 3.31Å; L160-A165 VanDerWaalsContact O-N 3.1Å; L160-V220 HydrophobicContact CD1-CG2 3.3Å; L160-I282 HydrophobicContact CD2-CB 4.28Å; L160-I282 HydrophobicContact CD2-CD1 4.45Å; L160-I282 HydrophobicContact CD2-CG2 3.92Å; L160-I282 HydrophobicContact CG-CG2 4.29Å; L160-M283 HydrophobicContact CD1-CG 4Å; L160-M283 HydrophobicContact CD1-SD 4.22Å; L160-M283 HydrophobicContact CD2-CG 4.13Å; L160-M283 HydrophobicContact CG-CG 4.04Å
161K98.7Very high98.6Very high51 Ų5124.8 Ų24.822%0.22214%0.136CC..Hα-helixtrans-59.7-44.9173.4-71.817369.5-178.50111.7L133 D153 V157 A163 G164 P167L133-K161 HydrophobicContact CD1-CD 4.39Å; D153-K161 IonicContact OD1-NZ 3.36Å; D153-K161 WeakPolarHBondContact OD2-CD 3.44Å; D153-K161 WeakPolarHBondContact OD2-CE 3.45Å; D153-K161 IonicContact OD2-NZ 3.57Å; D153-K161 PolarHBondContact OD2-NZ 3.09Å; V157-K161 HydrophobicContact CG1-CD 4.26Å; V157-K161 WeakPolarHBondContact O-CG 3.35Å; V157-K161 PolarHBondContact O-N 3.13Å; K161-A163 PolarHBondContact O-N 3.03Å; K161-G164 PolarHBondContact O-N 2.79Å; K161-P167 HydrophobicContact CD-CG 3.79Å; K161-P167 HydrophobicContact CG-CG 3.58Å
162R98.4Very high98.6Very high161 Ų16120.3 Ų20.361%0.60810%0.104SC*.Hα-helixtrans-63.3-28.7175.7-78.9-173.8-72.4-108.20.9113.2L118 A158 L159 L160 G164L118-R162 WeakPolarHBondContact CD2-O 3.33Å; A158-R162 WeakPolarHBondContact O-CB 3.3Å; A158-R162 WeakPolarHBondContact O-CG 3.47Å; A158-R162 PolarHBondContact O-N 2.65Å; A158-R162 PolarHBondContact O-NE 3.32Å; L159-R162 PolarHBondContact O-N 2.97Å; L160-R162 PolarHBondContact O-N 3.15Å; R162-G164 PolarHBondContact O-N 3.45Å
163A98.6Very high98.6Very high7 Ų717.2 Ų17.26%0.0589%0.085CC..THydrogen-bonded Turntrans-78.93.4173.200000113.6L118 P119 L120 L159 L160 K161 I282L118-A163 CarbonylContact C-O 3.57Å; L118-A163 VanDerWaalsContact CA-O 3.26Å; L118-A163 WeakPolarHBondContact CA-O 3.47Å; P119-A163 HydrophobicContact CG-CB 4.06Å; L120-A163 CarbonylContact C-O 3.5Å; L120-A163 PolarHBondContact N-O 3.45Å; L159-A163 WeakPolarHBondContact O-CB 3.26Å; L159-A163 PolarHBondContact O-N 3.31Å; L160-A163 CarbonylContact O-C 3.26Å; L160-A163 WeakPolarHBondContact O-CB 3.35Å; L160-A163 PolarHBondContact O-N 2.69Å; L160-A163 VanDerWaalsContact O-N 3.14Å; K161-A163 PolarHBondContact O-N 3.03Å; A163-I282 HydrophobicContact CB-CD1 3.75Å; A163-I282 HydrophobicContact CB-CG1 4.08Å; A163-I282 HydrophobicContact CB-CG2 3.84Å
164G98.3Very high98.5Very high9 Ų915.7 Ų15.79%0.0938%0.077CC..THydrogen-bonded Turntrans99.30.8174.300000115.5L120 G122 L160 K161 R162L120-G164 CarbonylContact O-C 3.19Å; L120-G164 VanDerWaalsContact O-O 3.05Å; G122-G164 PolarHBondContact N-O 3.46Å; L160-G164 PolarHBondContact O-N 2.97Å; K161-G164 PolarHBondContact O-N 2.79Å; R162-G164 PolarHBondContact O-N 3.45Å
165A98.8Very high98.4Very high5 Ų515.8 Ų15.84%0.0418%0.078CC..  trans-71.2146.4177.900000111.7L120 V123 L125 L160 P167L120-A165 HydrophobicContact CB-CB 4.13Å; L120-A165 HydrophobicContact CD1-CB 4.33Å; L120-A165 PolarHBondContact O-N 3.04Å; V123-A165 CarbonylContact O-C 3.55Å; V123-A165 WeakPolarHBondContact O-CA 3.42Å; L125-A165 HydrophobicContact CB-CB 4.22Å; L125-A165 HydrophobicContact CD2-CB 4.24Å; L160-A165 HydrophobicContact CB-CB 4.37Å; L160-A165 VanDerWaalsContact O-CB 3.31Å; L160-A165 WeakPolarHBondContact O-CB 3.29Å; L160-A165 PolarHBondContact O-N 3.31Å; L160-A165 VanDerWaalsContact O-N 3.1Å; A165-P167 WeakPolarHBondContact O-CD 3.46Å
166V98.8Very high98.2Very high3 Ų314.3 Ų14.32%0.0187%0.068CC..EExtended strand (participates in β ladder)trans-113.1103.3-175.3-178.90000109.8V68 A93 E96 V123 P124 L125 L168V68-V166 HydrophobicContact CG2-CB 4.24Å; V68-V166 HydrophobicContact CG2-CG1 4.11Å; A93-V166 HydrophobicContact CB-CG1 3.78Å; A93-V166 WeakPolarHBondContact O-CG1 3.44Å; E96-V166 HydrophobicContact CB-CG1 4.11Å; E96-V166 HydrophobicContact CB-CG2 4.5Å; V123-V166 PolarHBondContact O-N 3.05Å; P124-V166 WeakPolarHBondContact CA-O 3.38Å; L125-V166 PolarHBondContact N-O 2.75Å; V166-L168 PolarHBondContact O-N 2.96Å
167P98.8Very high98.2Very high0 Ų014.9 Ų14.90%07%0.072CC..EExtended strand (participates in β ladder)trans-66.4127.1179.8-16.726.2000112.5R89 L125 L133 K161 A165R89-P167 VanDerWaalsContact CD-O 3.29Å; R89-P167 WeakPolarHBondContact CD-O 3.47Å; R89-P167 VanDerWaalsContact CG-O 3.28Å; R89-P167 WeakPolarHBondContact CG-O 3.23Å; R89-P167 PolarHBondContact NH1-O 2.92Å; L125-P167 HydrophobicContact CD2-CG 4.33Å; L125-P167 CarbonylContact O-C 3.55Å; L125-P167 VanDerWaalsContact O-CA 3.27Å; L125-P167 WeakPolarHBondContact O-CA 3.27Å; L133-P167 HydrophobicContact CD1-CB 4.18Å; L133-P167 HydrophobicContact CD1-CG 4.18Å; L133-P167 HydrophobicContact CD2-CB 3.98Å; K161-P167 HydrophobicContact CD-CG 3.79Å; K161-P167 HydrophobicContact CG-CG 3.58Å; A165-P167 WeakPolarHBondContact O-CD 3.46Å
168L98.8Very high97.9Very high4 Ų417.3 Ų17.32%0.0218%0.084CC..EExtended strand (participates in β ladder)trans-88.1-27.4179.7-62.9-176.1000113.5V68 I72 I75 R89 F90 A93 P124 L125 V166V68-L168 HydrophobicContact CG1-CD2 3.96Å; I72-L168 HydrophobicContact CG1-CD2 4.36Å; I75-L168 HydrophobicContact CD1-CB 4.22Å; I75-L168 HydrophobicContact CD1-CD1 3.58Å; R89-L168 WeakPolarHBondContact CG-O 3.25Å; R89-L168 PolarHBondContact N-O 3.25Å; F90-L168 HydrophobicContact CE1-CB 4.36Å; A93-L168 HydrophobicContact CB-CD2 4.02Å; P124-L168 HydrophobicContact CB-CD1 3.73Å; P124-L168 HydrophobicContact CB-CD2 4.14Å; P124-L168 HydrophobicContact CB-CG 3.91Å; L125-L168 PolarHBondContact O-N 2.75Å; V166-L168 PolarHBondContact O-N 2.96Å
169G98.6Very high97.8Very high3 Ų318.7 Ų18.73%0.0319%0.086CC..EExtended strand (participates in β ladder)trans171.3-177.7-170.900000113K87 V127K87-G169 CarbonylContact O-C 3.44Å; K87-G169 WeakPolarHBondContact O-CA 3.25Å; V127-G169 PolarHBondContact N-O 3.14Å
170V98.9Very high97.5Very high0 Ų017.2 Ų17.20%08%0.079CC..EExtended strand (participates in β ladder)trans-109.2146.1167.8-65.70000111.9V86 K87 V127 E129 L133 M136V86-V170 HydrophobicContact CG2-CG2 3.95Å; V86-V170 PolarHBondContact N-O 3.47Å; K87-V170 HydrophobicContact CB-CG2 3.8Å; K87-V170 PolarHBondContact N-O 2.86Å; K87-V170 PolarHBondContact O-N 3Å; V127-V170 HydrophobicContact CB-CG1 4.46Å; V127-V170 CarbonylContact O-C 3.56Å; V127-V170 WeakPolarHBondContact O-CA 3.39Å; E129-V170 HydrophobicContact CB-CB 4.05Å; E129-V170 HydrophobicContact CB-CG2 4.31Å; E129-V170 HydrophobicContact CG-CB 4.21Å; E129-V170 HydrophobicContact CG-CG2 3.98Å; L133-V170 HydrophobicContact CB-CG1 4.2Å; L133-V170 HydrophobicContact CD2-CG1 3.96Å; M136-V170 HydrophobicContact CB-CG1 3.85Å; M136-V170 HydrophobicContact CB-CG2 4.4Å; M136-V170 HydrophobicContact CE-CG2 4.48Å; M136-V170 HydrophobicContact CG-CG1 4.3Å
171T98.9Very high97.3Very high0 Ų017.3 Ų17.30%08%0.079CC..EExtended strand (participates in β ladder)trans-107.6154.1-176.465.40000113.3A84 V85 V127 E129 E207 I210A84-T171 CarbonylContact O-C 3.52Å; A84-T171 WeakPolarHBondContact O-CA 3.32Å; A84-T171 WeakPolarHBondContact O-CB 3.46Å; V85-T171 HydrophobicContact CG2-CG2 4.45Å; V127-T171 PolarHBondContact O-N 3.49Å; E129-T171 VanDerWaalsContact CB-O 3.22Å; E129-T171 WeakPolarHBondContact CB-O 3.33Å; E129-T171 PolarHBondContact N-O 3.1Å; E129-T171 VanDerWaalsContact N-O 3.14Å; T171-E207 VanDerWaalsContact CB-OE1 3.3Å; T171-E207 WeakPolarHBondContact CB-OE1 3.48Å; T171-E207 WeakPolarHBondContact CG2-OE1 3.34Å; T171-E207 VanDerWaalsContact OG1-CD 3.26Å; T171-E207 VanDerWaalsContact OG1-CG 3.27Å; T171-E207 WeakPolarHBondContact OG1-CG 3.27Å; T171-E207 PolarHBondContact OG1-N 2.91Å; T171-E207 PolarHBondContact OG1-OE1 3.41Å; T171-I210 HydrophobicContact CG2-CG2 3.8Å
172N98.7Very high97.3Very high0 Ų014.9 Ų14.90%07%0.069CC..  trans-63.3148-175.4-157.612.8000112.4A84 V86 N184 G188 T190 G206A84-N172 PolarHBondContact O-N 3.38Å; V86-N172 HydrophobicContact CG1-CB 3.42Å; V86-N172 VanDerWaalsContact CG1-CB 3.42Å; N172-N184 PolarHBondContact OD1-ND2 2.97Å; N172-G188 PolarHBondContact ND2-O 2.9Å; N172-T190 VanDerWaalsContact CB-OG1 3.24Å; N172-T190 WeakPolarHBondContact CB-OG1 3.05Å; N172-T190 PolarHBondContact ND2-OG1 3.33Å; N172-G206 WeakPolarHBondContact O-CA 3.41Å; N172-G206 PolarHBondContact O-N 3.19Å; N172-G206 VanDerWaalsContact O-N 3.13Å
173T98.1Very high97.2Very high0 Ų08.8 Ų8.80%05%0.047CC..  trans-128.4161.3175.958.20000111.1K128 N184 S203K128-T173 HydrophobicContact CD-CG2 4.05Å; K128-T173 VanDerWaalsContact CE-CG2 3.49Å; K128-T173 HydrophobicContact CG-CG2 3.34Å; T173-N184 PolarHBondContact O-ND2 2.86Å; T173-S203 VanDerWaalsContact CA-O 3.26Å; T173-S203 WeakPolarHBondContact CA-O 3.42Å
174S97Very high97.1Very high0 Ų08.5 Ų8.50%04%0.044CC..  trans-66.2153.1164.571.40000109.5L176 C177 M178 W179 E181 S182 S203S174-L176 PolarHBondContact O-N 3.42Å; S174-L176 VanDerWaalsContact O-N 3.15Å; S174-C177 WeakPolarHBondContact O-CA 3.4Å; S174-C177 PolarHBondContact O-N 2.9Å; S174-C177 WeakPolarHBondContact OG-CA 3.31Å; S174-M178 PolarHBondContact OG-N 3.4Å; S174-W179 PolarHBondContact OG-N 2.86Å; S174-W179 VanDerWaalsContact OG-N 3.15Å; S174-W179 PolarHBondContact OG-O 3.29Å; S174-E181 VanDerWaalsContact CB-O 3.24Å; S174-E181 WeakPolarHBondContact CB-O 3.4Å; S174-S182 PolarHBondContact N-OG 3.34Å; S174-S203 PolarHBondContact N-O 2.76Å; S174-S203 WeakPolarHBondContact OG-CB 3.44Å
175E95.6Very high97Very high3 Ų310.9 Ų10.91%0.0145%0.053CC..G310 helixtrans-49.9123.1174.9-169.9170.9-169.900111.3L142 C177 M178 H183 N184 H401 T402 A405L142-E175 HydrophobicContact CD2-CG 3.88Å; E175-C177 PolarHBondContact O-N 3.48Å; E175-M178 PolarHBondContact O-N 2.99Å; E175-M178 VanDerWaalsContact O-N 3.14Å; E175-H183 PolarHBondContact N-O 3.31Å; E175-N184 HydrophobicContact CB-CB 4.11Å; E175-H401 IonicContact OE1-CE1 3.5Å; E175-H401 IonicContact OE1-CG 3.95Å; E175-H401 IonicContact OE1-ND1 3.1Å; E175-H401 PolarHBondContact OE1-ND1 2.89Å; E175-T402 WeakPolarHBondContact OE2-CB 3.46Å; E175-T402 WeakPolarHBondContact OE2-CG2 3.33Å; E175-T402 PolarHBondContact OE2-N 3.29Å; E175-T402 PolarHBondContact OE2-OG1 2.9Å; E175-A405 HydrophobicContact CG-CB 4.39Å; E175-A405 WeakPolarHBondContact OE2-CB 3.34Å
176L95.3Very high96.9Very high0 Ų012.8 Ų12.80%06%0.062CC..G310 helixtrans53.822.3-176.2-74.3171.9000115.3T140 L142 S174 M178 Y253 P254 F374 L377 M378T140-L176 PolarHBondContact O-N 3.07Å; L142-L176 HydrophobicContact CD1-CD1 4.24Å; L142-L176 HydrophobicContact CD1-CD2 3.46Å; L142-L176 VanDerWaalsContact CD1-CD2 3.46Å; L142-L176 HydrophobicContact CD1-CG 3.8Å; L142-L176 HydrophobicContact CD2-CD1 4.23Å; L142-L176 HydrophobicContact CD2-CG 4.02Å; L142-L176 HydrophobicContact CG-CD2 4.08Å; L142-L176 HydrophobicContact CG-CG 3.98Å; S174-L176 PolarHBondContact O-N 3.42Å; S174-L176 VanDerWaalsContact O-N 3.15Å; L176-M178 WeakPolarHBondContact O-CG 3.44Å; L176-M178 PolarHBondContact O-N 3.04Å; L176-M178 VanDerWaalsContact O-N 3.13Å; L176-Y253 HydrophobicContact CD2-CD1 4.4Å; L176-Y253 HydrophobicContact CD2-CE1 3.65Å; L176-P254 HydrophobicContact CD2-CB 4.29Å; L176-P254 WeakPolarHBondContact O-CG 3.29Å; L176-F374 HydrophobicContact CB-CE2 3.58Å; L176-F374 HydrophobicContact CB-CZ 4.02Å; L176-F374 HydrophobicContact CD1-CD2 4.11Å; L176-F374 HydrophobicContact CD1-CE1 4.47Å; L176-F374 HydrophobicContact CD1-CE2 3.52Å; L176-F374 HydrophobicContact CD1-CZ 3.73Å; L176-F374 HydrophobicContact CG-CE2 4.23Å; L176-L377 HydrophobicContact CD1-CB 3.67Å; L176-L377 HydrophobicContact CD2-CB 4.06Å; L176-M378 HydrophobicContact CD1-CB 4.42Å; L176-M378 HydrophobicContact CD1-CG 3.74Å
177C96.4Very high96.8Very high13 Ų1315 Ų159%0.0887%0.071CC..G310 helixtrans59.415.5-175.1-70.20000115.8K128 S130 T140 S174 E175 S203K128-C177 VanDerWaalsContact CE-SG 3.6Å; S130-C177 VanDerWaalsContact CB-SG 3.55Å; T140-C177 VanDerWaalsContact CG2-SG 3.58Å; S174-C177 WeakPolarHBondContact O-CA 3.4Å; S174-C177 PolarHBondContact O-N 2.9Å; S174-C177 WeakPolarHBondContact OG-CA 3.31Å; E175-C177 PolarHBondContact O-N 3.48Å; C177-S203 VanDerWaalsContact C-CB 3.46Å; C177-S203 WeakPolarHBondContact CA-OG 3.43Å; C177-S203 VanDerWaalsContact CB-OG 3.3Å; C177-S203 WeakPolarHBondContact CB-OG 3.21Å; C177-S203 WeakPolarHBondContact O-CB 3.41Å; C177-S203 PolarHBondContact O-OG 3.01Å
178M93.8Very high96.7Very high51 Ų5116.2 Ų16.225%0.2518%0.084SC..  trans-113.547.6-171.9-71.6-63.8-174.700113.6S174 E175 L176 F374 L408S174-M178 PolarHBondContact OG-N 3.4Å; E175-M178 PolarHBondContact O-N 2.99Å; E175-M178 VanDerWaalsContact O-N 3.14Å; L176-M178 WeakPolarHBondContact O-CG 3.44Å; L176-M178 PolarHBondContact O-N 3.04Å; L176-M178 VanDerWaalsContact O-N 3.13Å; M178-F374 HydrophobicContact CB-CD2 4.36Å; M178-F374 HydrophobicContact CB-CE2 3.59Å; M178-F374 HydrophobicContact CB-CZ 4.13Å; M178-F374 HydrophobicContact CG-CD2 4.17Å; M178-F374 HydrophobicContact CG-CE2 3.74Å; M178-L408 HydrophobicContact CB-CD2 3.81Å; M178-L408 HydrophobicContact CG-CD2 4.49Å
179W95.4Very high96.6Very high41 Ų4118.1 Ų18.116%0.1559%0.094CC..SBendtrans-156.2155.5169.4-171.6-126.8000113S174 E181 G202 P404 P459 L460 P463S174-W179 PolarHBondContact OG-N 2.86Å; S174-W179 VanDerWaalsContact OG-N 3.15Å; S174-W179 PolarHBondContact OG-O 3.29Å; W179-E181 VanDerWaalsContact C-N 3.26Å; W179-E181 VanDerWaalsContact CD1-N 3.31Å; W179-E181 VanDerWaalsContact CD1-O 3.31Å; W179-E181 PolarHBondContact O-N 3.29Å; W179-G202 CarbonylContact O-C 3.51Å; W179-G202 WeakPolarHBondContact O-CA 3.29Å; W179-P404 HydrophobicContact CB-CB 4.4Å; W179-P404 HydrophobicContact CD2-CB 3.39Å; W179-P404 HydrophobicContact CD2-CG 3.73Å; W179-P404 HydrophobicContact CE3-CB 3.67Å; W179-P404 HydrophobicContact CE3-CG 4.39Å; W179-P404 HydrophobicContact CG-CB 3.71Å; W179-P404 HydrophobicContact CG-CG 3.96Å; W179-P404 HydrophobicContact CH2-CB 4.3Å; W179-P404 HydrophobicContact CH2-CG 4.45Å; W179-P404 HydrophobicContact CZ2-CB 4.05Å; W179-P404 HydrophobicContact CZ2-CG 3.79Å; W179-P404 HydrophobicContact CZ3-CB 4.12Å; W179-P459 HydrophobicContact CH2-CB 4.28Å; W179-P459 HydrophobicContact CZ2-CB 3.81Å; W179-L460 HydrophobicContact CH2-CD2 4.19Å; W179-L460 HydrophobicContact CZ2-CD2 3.89Å; W179-L460 HydrophobicContact CZ2-CG 4.22Å; W179-P463 HydrophobicContact CH2-CB 4.04Å; W179-P463 HydrophobicContact CZ3-CB 3.99Å
180L93.7Very high96.6Very high11 Ų1118 Ų186%0.0589%0.092CC..SBendtrans-69.6-17.7178.8-80.6175.1000114.3G201 G202 I230 P459 F466L180-G201 CarbonylContact O-C 3.48Å; L180-G201 WeakPolarHBondContact O-CA 3.27Å; L180-G202 PolarHBondContact O-N 3.21Å; L180-I230 HydrophobicContact CD2-CD1 3.37Å; L180-I230 HydrophobicContact CD2-CG2 4.24Å; L180-P459 HydrophobicContact CB-CB 4.32Å; L180-P459 HydrophobicContact CD1-CB 4.17Å; L180-F466 HydrophobicContact CD1-CB 4.5Å; L180-F466 HydrophobicContact CD2-CB 3.81Å; L180-F466 HydrophobicContact CG-CB 4.4Å
181E94.9Very high96.6Very high1 Ų118.9 Ų18.91%0.00510%0.098CC..SBendtrans-117.5123.8-179.9179.7178.8-118.700108S174 W179 H183 I189 I199 H456 H457S174-E181 VanDerWaalsContact CB-O 3.24Å; S174-E181 WeakPolarHBondContact CB-O 3.4Å; W179-E181 VanDerWaalsContact C-N 3.26Å; W179-E181 VanDerWaalsContact CD1-N 3.31Å; W179-E181 VanDerWaalsContact CD1-O 3.31Å; W179-E181 PolarHBondContact O-N 3.29Å; E181-H183 HydrophobicContact CG-CB 4.06Å; E181-H183 PolarHBondContact O-N 3.06Å; E181-I189 HydrophobicContact CG-CD1 4.13Å; E181-I189 HydrophobicContact CG-CG1 4.39Å; E181-I199 HydrophobicContact CB-CB 4.44Å; E181-I199 HydrophobicContact CB-CG2 4.15Å; E181-I199 HydrophobicContact CG-CB 4.2Å; E181-I199 HydrophobicContact CG-CG2 3.78Å; E181-I199 WeakPolarHBondContact OE1-CG2 3.36Å; E181-H456 VanDerWaalsContact OE1-CA 3.23Å; E181-H456 WeakPolarHBondContact OE1-CA 3.44Å; E181-H456 WeakPolarHBondContact OE1-CB 3.2Å; E181-H456 IonicContact OE1-CE1 3.47Å; E181-H456 IonicContact OE1-CG 3.58Å; E181-H456 IonicContact OE1-ND1 3.54Å; E181-H456 PolarHBondContact OE1-ND1 3.38Å; E181-H457 PolarHBondContact OE1-N 2.84Å; E181-H457 VanDerWaalsContact OE1-N 3.08Å; E181-H457 IonicContact OE1-ND1 3.74Å; E181-H457 IonicContact OE2-CE1 3.92Å; E181-H457 IonicContact OE2-ND1 2.65Å; E181-H457 PolarHBondContact OE2-ND1 3.34Å
182S97.5Very high96.6Very high0 Ų018.9 Ų18.90%010%0.098CC..  trans-69.280.6171.6-76.40000110.7S174 T190 G201 S203 G205S174-S182 PolarHBondContact N-OG 3.34Å; S182-T190 PolarHBondContact O-N 2.96Å; S182-G201 PolarHBondContact N-O 2.99Å; S182-G201 VanDerWaalsContact N-O 3.08Å; S182-G201 PolarHBondContact OG-O 2.9Å; S182-S203 PolarHBondContact OG-O 3.37Å; S182-S203 VanDerWaalsContact OG-O 3.04Å; S182-G205 WeakPolarHBondContact OG-CA 3.44Å; S182-G205 PolarHBondContact OG-N 3.34Å
183H96.6Very high96.5Very high34 Ų3419 Ų1916%0.15710%0.099CC..EExtended strand (participates in β ladder)trans-134.2132177.5177.2-155.8000108.9E175 E181 I189E175-H183 PolarHBondContact N-O 3.31Å; E181-H183 HydrophobicContact CG-CB 4.06Å; E181-H183 PolarHBondContact O-N 3.06Å; H183-I189 HydrophobicContact CB-CB 4.26Å; H183-I189 HydrophobicContact CB-CD1 4.18Å; H183-I189 HydrophobicContact CB-CG1 3.99Å
184N96.8Very high96.5Very high0 Ų020.5 Ų20.50%011%0.105CC..EExtended strand (participates in β ladder)trans-149.8162.9170.663.475.8000109.3G141 N172 T173 E175 L186 Y187 G188G141-N184 VanDerWaalsContact CA-CG 3.46Å; G141-N184 WeakPolarHBondContact O-CB 3.39Å; N172-N184 PolarHBondContact OD1-ND2 2.97Å; T173-N184 PolarHBondContact O-ND2 2.86Å; E175-N184 HydrophobicContact CB-CB 4.11Å; N184-L186 VanDerWaalsContact C-N 3.3Å; N184-L186 PolarHBondContact O-N 3.33Å; N184-L186 WeakPolarHBondContact OD1-CA 3.49Å; N184-L186 WeakPolarHBondContact OD1-CB 3.48Å; N184-L186 PolarHBondContact OD1-N 3.34Å; N184-Y187 PolarHBondContact OD1-N 3.23Å; N184-G188 PolarHBondContact N-O 2.82Å; N184-G188 VanDerWaalsContact N-O 3.15Å; N184-G188 CarbonylContact O-C 3.14Å; N184-G188 WeakPolarHBondContact O-CA 3.3Å; N184-G188 PolarHBondContact O-N 2.92Å
185H95.3Very high96.5Very high59 Ų5922.2 Ų22.227%0.27311%0.114SC..THydrogen-bonded Turntrans-79.8-10.2-178.6-68.7167.9000114.2L143 R394 S399 E400 H401L143-H185 HydrophobicContact CD1-CB 4.07Å; L143-H185 HydrophobicContact CG-CB 4.44Å; H185-R394 PolarHBondContact CE1-NH1 3.05Å; H185-R394 VanDerWaalsContact CE1-NH1 3.3Å; H185-R394 PolarHBondContact NE2-NH1 2.92Å; H185-S399 PolarHBondContact CE1-O 3.17Å; H185-S399 PolarHBondContact ND1-O 3.38Å; H185-E400 VanDerWaalsContact ND1-C 3.27Å; H185-E400 PolarHBondContact ND1-O 2.87Å; H185-H401 PolarHBondContact CE1-O 3.29Å
186L96.5Very high96.5Very high45 Ų4523.8 Ų23.824%0.23612%0.122CC..THydrogen-bonded Turntrans-80.4-46.7179.3178.860.8000111.9S139 L143 R146 N184S139-L186 WeakPolarHBondContact OG-CD2 3.44Å; L143-L186 HydrophobicContact CD2-CB 3.96Å; L143-L186 HydrophobicContact CD2-CD1 3.86Å; L143-L186 HydrophobicContact CD2-CG 4.5Å; R146-L186 HydrophobicContact CB-CD1 3.78Å; R146-L186 HydrophobicContact CB-CD2 4.18Å; N184-L186 VanDerWaalsContact C-N 3.3Å; N184-L186 PolarHBondContact O-N 3.33Å; N184-L186 WeakPolarHBondContact OD1-CA 3.49Å; N184-L186 WeakPolarHBondContact OD1-CB 3.48Å; N184-L186 PolarHBondContact OD1-N 3.34Å
187Y97.3Very high96.4Very high49 Ų4926.1 Ų26.119%0.19213%0.133CC..THydrogen-bonded Turntrans-113.4-7.8-175.9-55.1-56000113.4N83 V86 E129 P137 S139 N184N83-Y187 PolarHBondContact ND2-O 3.47Å; V86-Y187 HydrophobicContact CB-CD1 3.76Å; V86-Y187 HydrophobicContact CB-CD2 4.02Å; V86-Y187 HydrophobicContact CB-CE1 4Å; V86-Y187 HydrophobicContact CB-CE2 4.24Å; V86-Y187 HydrophobicContact CB-CG 3.77Å; V86-Y187 HydrophobicContact CG1-CD1 4.08Å; V86-Y187 HydrophobicContact CG1-CD2 3.82Å; V86-Y187 HydrophobicContact CG1-CE2 4.47Å; V86-Y187 HydrophobicContact CG1-CG 3.58Å; V86-Y187 HydrophobicContact CG2-CD1 4.47Å; V86-Y187 HydrophobicContact CG2-CD2 4.17Å; V86-Y187 HydrophobicContact CG2-CE1 4.3Å; V86-Y187 HydrophobicContact CG2-CE2 3.98Å; V86-Y187 HydrophobicContact CG2-CG 4.4Å; E129-Y187 WeakPolarHBondContact OE1-CE2 3.45Å; E129-Y187 PolarHBondContact OE1-OH 2.94Å; E129-Y187 WeakPolarHBondContact OE2-CE2 3.1Å; P137-Y187 WeakPolarHBondContact CB-OH 3.3Å; S139-Y187 WeakPolarHBondContact OG-CE2 3.41Å; S139-Y187 PolarHBondContact OG-OH 3.47Å; N184-Y187 PolarHBondContact OD1-N 3.23Å
188G96.8Very high96.4Very high27 Ų2727 Ų2728%0.27813%0.134SC..EExtended strand (participates in β ladder)trans82.5-154.5-176.600000112.8N172 N184N172-G188 PolarHBondContact ND2-O 2.9Å; N184-G188 PolarHBondContact N-O 2.82Å; N184-G188 VanDerWaalsContact N-O 3.15Å; N184-G188 CarbonylContact O-C 3.14Å; N184-G188 WeakPolarHBondContact O-CA 3.3Å; N184-G188 PolarHBondContact O-N 2.92Å
189I97.3Very high96.6Very high44 Ų4424.6 Ų24.623%0.22612%0.123CC..EExtended strand (participates in β ladder)trans-105136.7-172.1-168.6159000111.2N83 E181 H183 H456N83-I189 WeakPolarHBondContact CB-O 3.49Å; N83-I189 PolarHBondContact ND2-O 2.98Å; E181-I189 HydrophobicContact CG-CD1 4.13Å; E181-I189 HydrophobicContact CG-CG1 4.39Å; H183-I189 HydrophobicContact CB-CB 4.26Å; H183-I189 HydrophobicContact CB-CD1 4.18Å; H183-I189 HydrophobicContact CB-CG1 3.99Å; I189-H456 HydrophobicContact CD1-CB 4.38Å; I189-H456 WeakPolarHBondContact CD1-ND1 3.21Å
190T98.6Very high96.7Very high0 Ų022.7 Ų22.70%012%0.115CC..PPolyproline II helixtrans-92.9131.3171.3-60.20000110.5V82 N83 A84 N172 S182 A200V82-T190 CarbonylContact O-C 3.31Å; V82-T190 VanDerWaalsContact O-CA 3.3Å; V82-T190 WeakPolarHBondContact O-CA 3.24Å; V82-T190 WeakPolarHBondContact O-CG2 3.33Å; N83-T190 WeakPolarHBondContact O-CB 3.49Å; N83-T190 PolarHBondContact O-OG1 3.31Å; A84-T190 HydrophobicContact CB-CG2 4.07Å; N172-T190 VanDerWaalsContact CB-OG1 3.24Å; N172-T190 WeakPolarHBondContact CB-OG1 3.05Å; N172-T190 PolarHBondContact ND2-OG1 3.33Å; S182-T190 PolarHBondContact O-N 2.96Å; T190-A200 HydrophobicContact CG2-CB 3.8Å
191C98.3Very high97Very high18 Ų1822.1 Ų22.112%0.12211%0.113CC..BIsolated β-bridgetrans-98.2154.6-179.8-52.10000111.8V82 L196 S209V82-C191 PolarHBondContact O-N 2.98Å; C191-L196 HydrophobicContact CB-CB 4.37Å; C191-L196 HydrophobicContact CB-CD2 3.91Å; C191-S209 WeakPolarHBondContact O-CB 3.3Å; C191-S209 PolarHBondContact O-OG 2.79Å
192N98.3Very high97.1Very high0 Ų022.2 Ų22.20%011%0.113CC..PPolyproline II helixtrans-73.5135.1172.6-170.7-58.9000110.6Y194 D195 R198 I199 F234N192-Y194 VanDerWaalsContact C-N 3.3Å; N192-Y194 PolarHBondContact O-N 3.01Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.2Å; N192-Y194 WeakPolarHBondContact OD1-CD2 3.48Å; N192-Y194 PolarHBondContact OD1-N 3.33Å; N192-D195 WeakPolarHBondContact CB-O 3.48Å; N192-D195 CarbonylContact O-C 3.57Å; N192-D195 VanDerWaalsContact O-C 3.26Å; N192-D195 PolarHBondContact O-N 2.88Å; N192-R198 HydrophobicContact CB-CB 3.86Å; N192-R198 WeakPolarHBondContact CB-O 3.39Å; N192-R198 PolarHBondContact N-O 2.87Å; N192-I199 PolarHBondContact ND2-O 2.92Å; N192-F234 PolarHBondContact ND2-O 3.35Å
193P97.7Very high97.1Very high3 Ų322.2 Ų22.22%0.01911%0.114CC..SBendtrans-71.4-21.1-177.829.8-34.1000113.8L38 V82 A213 N235 P524L38-P193 HydrophobicContact CD1-CB 3.86Å; L38-P193 WeakPolarHBondContact CD1-O 3.49Å; L38-P193 HydrophobicContact CD2-CB 4.34Å; V82-P193 HydrophobicContact CG1-CB 4.26Å; P193-A213 HydrophobicContact CB-CB 4.04Å; P193-N235 WeakPolarHBondContact CD-OD1 3.41Å; P193-P524 HydrophobicContact CB-CB 4.13Å; P193-P524 HydrophobicContact CB-CG 3.98Å; P193-P524 WeakPolarHBondContact O-CB 3.39Å
194Y97.3Very high97.2Very high32 Ų3220.6 Ų20.613%0.12511%0.106CC..SBendtrans-81-27.2177.6-63.3-93.2000112.5N192 N235 L486 P492 R522 P524N192-Y194 VanDerWaalsContact C-N 3.3Å; N192-Y194 PolarHBondContact O-N 3.01Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.2Å; N192-Y194 WeakPolarHBondContact OD1-CD2 3.48Å; N192-Y194 PolarHBondContact OD1-N 3.33Å; Y194-N235 VanDerWaalsContact CE2-O 3.31Å; Y194-N235 WeakPolarHBondContact CE2-O 3.44Å; Y194-L486 HydrophobicContact CD1-CD1 4.22Å; Y194-L486 HydrophobicContact CD1-CD2 3.81Å; Y194-L486 HydrophobicContact CE1-CD1 4.1Å; Y194-L486 HydrophobicContact CE1-CD2 3.46Å; Y194-L486 VanDerWaalsContact CE1-CD2 3.46Å; Y194-L486 HydrophobicContact CE1-CG 4.4Å; Y194-P492 HydrophobicContact CD1-CG 4.4Å; Y194-P492 HydrophobicContact CD2-CG 3.57Å; Y194-P492 HydrophobicContact CE1-CG 4.27Å; Y194-P492 HydrophobicContact CE2-CG 3.43Å; Y194-P492 VanDerWaalsContact CE2-CG 3.43Å; Y194-P492 HydrophobicContact CG-CG 4.05Å; Y194-R522 PolarHBondContact OH-O 3.47Å; Y194-P524 HydrophobicContact CD1-CB 3.96Å; Y194-P524 HydrophobicContact CE1-CB 4.08Å; Y194-P524 HydrophobicContact CG-CB 4.2Å
195D96.2Very high97.3Very high35 Ų3520.6 Ų20.619%0.18711%0.106CC..  trans-156.7110.1178.7177.7-2.9000109.4N192 E197 R198 L491N192-D195 WeakPolarHBondContact CB-O 3.48Å; N192-D195 CarbonylContact O-C 3.57Å; N192-D195 VanDerWaalsContact O-C 3.26Å; N192-D195 PolarHBondContact O-N 2.88Å; D195-E197 PolarHBondContact O-N 2.81Å; D195-E197 WeakPolarHBondContact OD1-CB 3.32Å; D195-E197 PolarHBondContact OD1-N 2.82Å; D195-R198 HydrophobicContact CB-CB 4.44Å; D195-R198 HydrophobicContact CB-CG 3.63Å; D195-R198 WeakPolarHBondContact O-CB 3.41Å; D195-R198 PolarHBondContact O-N 2.84Å; D195-R198 VanDerWaalsContact OD2-CG 3.3Å; D195-R198 WeakPolarHBondContact OD2-CG 3.17Å; D195-R198 IonicContact OD2-CZ 2.73Å; D195-R198 IonicContact OD2-NE 3.96Å; D195-R198 PolarHBondContact OD2-NE 2.86Å; D195-R198 IonicContact OD2-NH2 4Å; D195-L491 HydrophobicContact CB-CD2 3.91Å
196L95.6Very high97.4Very high36 Ų3617.8 Ų17.819%0.1889%0.093CC..THydrogen-bonded Turntrans-67-7.1-175.4-59.5-178.7000114R36 L38 F81 V82 C191R36-L196 HydrophobicContact CB-CD1 3.89Å; R36-L196 WeakPolarHBondContact O-CD1 3.27Å; R36-L196 WeakPolarHBondContact O-CG 3.33Å; L38-L196 HydrophobicContact CD1-CD2 4.19Å; F81-L196 HydrophobicContact CB-CD1 4.08Å; F81-L196 HydrophobicContact CB-CD2 4.25Å; F81-L196 HydrophobicContact CD1-CD1 4.1Å; V82-L196 HydrophobicContact CG1-CD2 3.93Å; C191-L196 HydrophobicContact CB-CB 4.37Å; C191-L196 HydrophobicContact CB-CD2 3.91Å
197E94.2Very high97.5Very high50 Ų5015.7 Ų15.723%0.2348%0.082CC..THydrogen-bonded Turntrans-87.1-6.9171.1-63.5177.8-154.400113.1A32 D195 K455 H456A32-E197 HydrophobicContact CB-CG 3.94Å; A32-E197 WeakPolarHBondContact CB-OE1 3.32Å; A32-E197 WeakPolarHBondContact CB-OE2 3.29Å; D195-E197 PolarHBondContact O-N 2.81Å; D195-E197 WeakPolarHBondContact OD1-CB 3.32Å; D195-E197 PolarHBondContact OD1-N 2.82Å; E197-K455 CarbonylContact O-C 3.49Å; E197-K455 VanDerWaalsContact O-CA 3.27Å; E197-K455 WeakPolarHBondContact O-CA 3.5Å; E197-K455 IonicContact OE2-NZ 2.75Å; E197-K455 PolarHBondContact OE2-NZ 3.32Å; E197-H456 VanDerWaalsContact C-CD2 3.5Å; E197-H456 PolarHBondContact O-CD2 2.88Å; E197-H456 VanDerWaalsContact O-CD2 3.31Å; E197-H456 PolarHBondContact O-N 3.04Å
198R96.7Very high97.6Very high30 Ų3013.3 Ų13.311%0.1137%0.073CC..BIsolated β-bridgetrans-101.7152.5-177.6-51.5-63.1-176.6125.8-2.5112.2N192 D195 A453 P454 H456 E489 L491N192-R198 HydrophobicContact CB-CB 3.86Å; N192-R198 WeakPolarHBondContact CB-O 3.39Å; N192-R198 PolarHBondContact N-O 2.87Å; D195-R198 HydrophobicContact CB-CB 4.44Å; D195-R198 HydrophobicContact CB-CG 3.63Å; D195-R198 WeakPolarHBondContact O-CB 3.41Å; D195-R198 PolarHBondContact O-N 2.84Å; D195-R198 VanDerWaalsContact OD2-CG 3.3Å; D195-R198 WeakPolarHBondContact OD2-CG 3.17Å; D195-R198 IonicContact OD2-CZ 2.73Å; D195-R198 IonicContact OD2-NE 3.96Å; D195-R198 PolarHBondContact OD2-NE 2.86Å; D195-R198 IonicContact OD2-NH2 4Å; R198-A453 HydrophobicContact CB-CB 4.04Å; R198-A453 VanDerWaalsContact CD-O 3.27Å; R198-A453 WeakPolarHBondContact CD-O 3.46Å; R198-A453 PolarHBondContact NH1-O 2.77Å; R198-P454 WeakPolarHBondContact CA-O 3.18Å; R198-H456 PolarHBondContact O-CE1 2.85Å; R198-H456 PolarHBondContact O-NE2 2.73Å; R198-E489 IonicContact CZ-OE2 3.54Å; R198-E489 IonicContact NH1-OE2 3.82Å; R198-E489 PolarHBondContact NH1-OE2 3Å; R198-E489 IonicContact NH2-OE2 2.64Å; R198-E489 PolarHBondContact NH2-OE2 3.4Å; R198-L491 HydrophobicContact CG-CD1 4.31Å; R198-L491 HydrophobicContact CG-CD2 4.16Å
199I97.9Very high97.7Very high2 Ų212 Ų121%0.016%0.06CC..BIsolated β-bridgetrans-66.8140.617273175.1000110.7E181 N192 G201 F234 P454 P459E181-I199 HydrophobicContact CB-CB 4.44Å; E181-I199 HydrophobicContact CB-CG2 4.15Å; E181-I199 HydrophobicContact CG-CB 4.2Å; E181-I199 HydrophobicContact CG-CG2 3.78Å; E181-I199 WeakPolarHBondContact OE1-CG2 3.36Å; N192-I199 PolarHBondContact ND2-O 2.92Å; I199-G201 PolarHBondContact O-N 2.92Å; I199-F234 HydrophobicContact CD1-CD2 4.15Å; I199-F234 HydrophobicContact CD1-CE2 3.55Å; I199-F234 HydrophobicContact CD1-CZ 4.4Å; I199-F234 HydrophobicContact CG1-CD2 3.9Å; I199-F234 HydrophobicContact CG1-CE2 3.79Å; I199-P454 HydrophobicContact CD1-CG 3.46Å; I199-P454 VanDerWaalsContact CD1-CG 3.46Å; I199-P454 HydrophobicContact CG1-CG 3.83Å; I199-P454 PolarHBondContact N-O 3.07Å; I199-P459 HydrophobicContact CD1-CG 3.79Å
200A98.3Very high97.8Very high0 Ų010 Ų100%05%0.049CC..  trans-75.6-1.2166.900000112.9T190 G205 P231 N235T190-A200 HydrophobicContact CG2-CB 3.8Å; A200-G205 WeakPolarHBondContact CB-O 3.32Å; A200-P231 WeakPolarHBondContact O-CA 3.42Å; A200-N235 PolarHBondContact O-ND2 2.9Å
201G98.2Very high97.8Very high0 Ų010 Ų100%05%0.049CC..  trans82.8-176.4-170.400000111.9L180 S182 I199 G205 F234L180-G201 CarbonylContact O-C 3.48Å; L180-G201 WeakPolarHBondContact O-CA 3.27Å; S182-G201 PolarHBondContact N-O 2.99Å; S182-G201 VanDerWaalsContact N-O 3.08Å; S182-G201 PolarHBondContact OG-O 2.9Å; I199-G201 PolarHBondContact O-N 2.92Å; G201-G205 VanDerWaalsContact O-CA 3.28Å; G201-G205 WeakPolarHBondContact O-CA 3.45Å; G201-F234 VanDerWaalsContact CA-CD2 3.46Å
202G96.9Very high97.8Very high2 Ų29.1 Ų9.12%0.0214%0.043CC..SBendtrans-167.6159.4-174.500000112.3W179 L180 S227W179-G202 CarbonylContact O-C 3.51Å; W179-G202 WeakPolarHBondContact O-CA 3.29Å; L180-G202 PolarHBondContact O-N 3.21Å; G202-S227 WeakPolarHBondContact O-CA 3.42Å
203S97.8Very high97.8Very high1 Ų19.1 Ų9.11%0.0074%0.043CC..SBendcis-85.2-8.23.555.10000116.1K128 T173 S174 C177 S182 G205 S227K128-S203 PolarHBondContact NZ-OG 3.35Å; T173-S203 VanDerWaalsContact CA-O 3.26Å; T173-S203 WeakPolarHBondContact CA-O 3.42Å; S174-S203 PolarHBondContact N-O 2.76Å; S174-S203 WeakPolarHBondContact OG-CB 3.44Å; C177-S203 VanDerWaalsContact C-CB 3.46Å; C177-S203 WeakPolarHBondContact CA-OG 3.43Å; C177-S203 VanDerWaalsContact CB-OG 3.3Å; C177-S203 WeakPolarHBondContact CB-OG 3.21Å; C177-S203 WeakPolarHBondContact O-CB 3.41Å; C177-S203 PolarHBondContact O-OG 3.01Å; S182-S203 PolarHBondContact OG-O 3.37Å; S182-S203 VanDerWaalsContact OG-O 3.04Å; S203-G205 VanDerWaalsContact C-N 3.27Å; S203-G205 PolarHBondContact O-N 3.48Å; S203-S227 VanDerWaalsContact N-CB 3.32Å; S203-S227 PolarHBondContact N-OG 2.98Å; S203-S227 VanDerWaalsContact N-OG 3.16Å; S203-S227 VanDerWaalsContact OG-CB 3.3Å; S203-S227 WeakPolarHBondContact OG-CB 3.44Å; S203-S227 PolarHBondContact OG-OG 3.34Å; S203-S227 VanDerWaalsContact OG-OG 3.13Å
204S98.6Very high97.8Very high0 Ų09 Ų90%04%0.042CC..SBendtrans-91.637.2177.7-33.80000112.5K128 G206 E207 G208 S222 S227 P231K128-S204 VanDerWaalsContact CD-OG 3.3Å; K128-S204 WeakPolarHBondContact CD-OG 3.31Å; K128-S204 WeakPolarHBondContact CE-OG 3.39Å; K128-S204 PolarHBondContact NZ-OG 2.62Å; S204-G206 VanDerWaalsContact C-N 3.31Å; S204-G206 PolarHBondContact O-N 2.95Å; S204-E207 PolarHBondContact O-N 3.25Å; S204-G208 PolarHBondContact O-N 3.38Å; S204-S222 PolarHBondContact OG-O 2.88Å; S204-S227 WeakPolarHBondContact CB-O 3.14Å; S204-S227 PolarHBondContact N-O 3.16Å; S204-S227 PolarHBondContact OG-O 3.12Å; S204-P231 VanDerWaalsContact C-CG 3.48Å; S204-P231 VanDerWaalsContact O-CB 3.32Å; S204-P231 WeakPolarHBondContact O-CB 3.47Å
205G98.6Very high97.9Very high0 Ų07.4 Ų7.40%04%0.036CC..Hα-helixtrans-63.5-33.4-178.600000113.6S182 A200 G201 S203 G208 S209S182-G205 WeakPolarHBondContact OG-CA 3.44Å; S182-G205 PolarHBondContact OG-N 3.34Å; A200-G205 WeakPolarHBondContact CB-O 3.32Å; G201-G205 VanDerWaalsContact O-CA 3.28Å; G201-G205 WeakPolarHBondContact O-CA 3.45Å; S203-G205 VanDerWaalsContact C-N 3.27Å; S203-G205 PolarHBondContact O-N 3.48Å; G205-G208 PolarHBondContact O-N 3.23Å; G205-S209 WeakPolarHBondContact O-CB 3.29Å; G205-S209 PolarHBondContact O-N 3.16Å
206G98.8Very high98Very high0 Ų05.8 Ų5.80%03%0.028CC..Hα-helixtrans-58.6-51.3171.600000112.2N172 S204 S209 I210N172-G206 WeakPolarHBondContact O-CA 3.41Å; N172-G206 PolarHBondContact O-N 3.19Å; N172-G206 VanDerWaalsContact O-N 3.13Å; S204-G206 VanDerWaalsContact C-N 3.31Å; S204-G206 PolarHBondContact O-N 2.95Å; G206-S209 PolarHBondContact O-N 3.38Å; G206-I210 WeakPolarHBondContact O-CG2 3.19Å; G206-I210 PolarHBondContact O-N 3.5Å
207E98.8Very high98.1Very high0 Ų04.1 Ų4.10%02%0.019CC..Hα-helixtrans-56.4-52.8173.9-72.1-58.612500111.7S126 V127 K128 T171 S204 S209 I210 L211 G219 M269S126-E207 WeakPolarHBondContact CB-OE1 3.49Å; S126-E207 WeakPolarHBondContact CB-OE2 3.27Å; S126-E207 PolarHBondContact OG-OE2 2.81Å; V127-E207 WeakPolarHBondContact CA-OE1 3.38Å; V127-E207 PolarHBondContact N-OE1 3.47Å; V127-E207 VanDerWaalsContact N-OE1 3.14Å; K128-E207 HydrophobicContact CB-CG 3.87Å; K128-E207 PolarHBondContact N-OE1 3.27Å; T171-E207 VanDerWaalsContact CB-OE1 3.3Å; T171-E207 WeakPolarHBondContact CB-OE1 3.48Å; T171-E207 WeakPolarHBondContact CG2-OE1 3.34Å; T171-E207 VanDerWaalsContact OG1-CD 3.26Å; T171-E207 VanDerWaalsContact OG1-CG 3.27Å; T171-E207 WeakPolarHBondContact OG1-CG 3.27Å; T171-E207 PolarHBondContact OG1-N 2.91Å; T171-E207 PolarHBondContact OG1-OE1 3.41Å; S204-E207 PolarHBondContact O-N 3.25Å; E207-S209 VanDerWaalsContact C-N 3.31Å; E207-S209 PolarHBondContact O-N 3.33Å; E207-I210 PolarHBondContact O-N 3.36Å; E207-L211 WeakPolarHBondContact O-CB 3.32Å; E207-L211 WeakPolarHBondContact O-CD1 3.12Å; E207-L211 WeakPolarHBondContact O-CG 3.45Å; E207-L211 PolarHBondContact O-N 2.94Å; E207-G219 WeakPolarHBondContact OE2-CA 3.39Å; E207-M269 HydrophobicContact CB-CE 3.67Å; E207-M269 HydrophobicContact CB-SD 3.7Å; E207-M269 HydrophobicContact CG-SD 4.24Å
208G98.8Very high98.3Very high0 Ų01.7 Ų1.70%01%0.008CC..Hα-helixtrans-56.9-45.9-179.600000112.2S204 G205 G212 N235S204-G208 PolarHBondContact O-N 3.38Å; G205-G208 PolarHBondContact O-N 3.23Å; G208-G212 PolarHBondContact O-N 2.98Å; G208-N235 VanDerWaalsContact C-CB 3.49Å; G208-N235 VanDerWaalsContact C-ND2 3.34Å; G208-N235 WeakPolarHBondContact O-CB 3.02Å
209S98.9Very high98.4Very high0 Ų00.3 Ų0.30%00%0.002CC..Hα-helixtrans-67.3-46.3-178.4-176.50000112.5V82 C191 G205 G206 E207 L211 G212 A213V82-S209 WeakPolarHBondContact CB-OG 3.28Å; C191-S209 WeakPolarHBondContact O-CB 3.3Å; C191-S209 PolarHBondContact O-OG 2.79Å; G205-S209 WeakPolarHBondContact O-CB 3.29Å; G205-S209 PolarHBondContact O-N 3.16Å; G206-S209 PolarHBondContact O-N 3.38Å; E207-S209 VanDerWaalsContact C-N 3.31Å; E207-S209 PolarHBondContact O-N 3.33Å; S209-L211 PolarHBondContact O-N 2.82Å; S209-G212 PolarHBondContact O-N 2.78Å; S209-A213 VanDerWaalsContact O-CB 3.3Å; S209-A213 WeakPolarHBondContact O-CB 3.36Å; S209-A213 PolarHBondContact O-N 3.4Å
210I98.9Very high98.4Very high0 Ų00.2 Ų0.20%00%0.002CC..Hα-helixtrans-70.7-34.6-178.1-160.461.3000112.5I75 V78 A84 V85 T171 G206 E207 A214 G215 A216I75-I210 HydrophobicContact CG1-CD1 4.15Å; I75-I210 HydrophobicContact CG1-CG1 4.42Å; V78-I210 HydrophobicContact CG2-CD1 4.03Å; A84-I210 HydrophobicContact CB-CB 3.87Å; A84-I210 HydrophobicContact CB-CD1 4.34Å; V85-I210 HydrophobicContact CG2-CB 4.41Å; V85-I210 HydrophobicContact CG2-CD1 3.91Å; V85-I210 HydrophobicContact CG2-CG1 3.74Å; T171-I210 HydrophobicContact CG2-CG2 3.8Å; G206-I210 WeakPolarHBondContact O-CG2 3.19Å; G206-I210 PolarHBondContact O-N 3.5Å; E207-I210 PolarHBondContact O-N 3.36Å; I210-A214 PolarHBondContact O-N 2.86Å; I210-G215 PolarHBondContact O-N 2.95Å; I210-A216 HydrophobicContact CG2-CB 4.12Å; I210-A216 PolarHBondContact O-N 3.43Å
211L98.9Very high98.4Very high0 Ų00.2 Ų0.20%00%0.002CC..Hα-helixtrans-63.9-48.5170.6-67.8167.9000109.9E207 S209 A213 A214 A216 V217 V237 M269 R271E207-L211 WeakPolarHBondContact O-CB 3.32Å; E207-L211 WeakPolarHBondContact O-CD1 3.12Å; E207-L211 WeakPolarHBondContact O-CG 3.45Å; E207-L211 PolarHBondContact O-N 2.94Å; S209-L211 PolarHBondContact O-N 2.82Å; L211-A213 VanDerWaalsContact C-N 3.3Å; L211-A213 PolarHBondContact O-N 2.94Å; L211-A214 PolarHBondContact O-N 3.4Å; L211-A216 HydrophobicContact CD2-CB 3.9Å; L211-A216 WeakPolarHBondContact CD2-O 3.46Å; L211-V217 VanDerWaalsContact CD2-C 3.49Å; L211-V237 HydrophobicContact CB-CG1 3.98Å; L211-V237 HydrophobicContact CB-CG2 4.35Å; L211-M269 HydrophobicContact CD1-CB 3.48Å; L211-M269 VanDerWaalsContact CD1-CB 3.48Å; L211-R271 HydrophobicContact CB-CG 4.48Å; L211-R271 WeakPolarHBondContact O-CD 3.36Å; L211-R271 WeakPolarHBondContact O-CG 3.47Å
212G98.6Very high98.4Very high0 Ų00.6 Ų0.60%00%0.004CC..Hα-helixtrans-60.6-35.417800000113.6G208 S209 A214 W521 P524G208-G212 PolarHBondContact O-N 2.98Å; S209-G212 PolarHBondContact O-N 2.78Å; G212-A214 PolarHBondContact O-N 3.11Å; G212-W521 PolarHBondContact O-NE1 3.31Å; G212-P524 VanDerWaalsContact O-CD 3.29Å; G212-P524 WeakPolarHBondContact O-CD 3.41Å; G212-P524 WeakPolarHBondContact O-CG 3.33Å
213A98.6Very high98.4Very high0 Ų00.5 Ų0.50%00%0.003CC..THydrogen-bonded Turntrans-79.71.7176.800000114.4L38 R74 V78 P193 S209 L211 G215L38-A213 HydrophobicContact CD2-CB 3.77Å; R74-A213 PolarHBondContact NE-O 3.17Å; R74-A213 PolarHBondContact NH2-O 3.46Å; V78-A213 HydrophobicContact CB-CB 4.28Å; V78-A213 HydrophobicContact CG2-CB 3.88Å; P193-A213 HydrophobicContact CB-CB 4.04Å; S209-A213 VanDerWaalsContact O-CB 3.3Å; S209-A213 WeakPolarHBondContact O-CB 3.36Å; S209-A213 PolarHBondContact O-N 3.4Å; L211-A213 VanDerWaalsContact C-N 3.3Å; L211-A213 PolarHBondContact O-N 2.94Å; A213-G215 PolarHBondContact O-N 2.68Å
214A98.4Very high98.4Very high0 Ų01.2 Ų1.20%01%0.007CC..THydrogen-bonded Turntrans62.117.2-173.500000116.4I41 L46 I210 L211 G212 A216 R271 W521I41-A214 HydrophobicContact CD1-CB 3.45Å; I41-A214 VanDerWaalsContact CD1-CB 3.45Å; I41-A214 HydrophobicContact CG1-CB 4.2Å; L46-A214 HydrophobicContact CB-CB 4.48Å; I210-A214 PolarHBondContact O-N 2.86Å; L211-A214 PolarHBondContact O-N 3.4Å; G212-A214 PolarHBondContact O-N 3.11Å; A214-A216 VanDerWaalsContact C-N 3.3Å; A214-R271 PolarHBondContact O-NH1 2.84Å; A214-W521 HydrophobicContact CB-CH2 4.13Å; A214-W521 HydrophobicContact CB-CZ2 3.95Å
215G98.1Very high98.3Very high0 Ų01.6 Ų1.60%01%0.011CC..SBendtrans-78.1-11.4173.900000114.1I75 I210 A213I75-G215 VanDerWaalsContact CD1-O 3.29Å; I75-G215 WeakPolarHBondContact CD1-O 3.44Å; I75-G215 WeakPolarHBondContact CG1-O 3.46Å; I210-G215 PolarHBondContact O-N 2.95Å; A213-G215 PolarHBondContact O-N 2.68Å
216A97.8Very high98.2Very high1 Ų11.6 Ų1.61%0.0081%0.011CC..  trans-145.4157.8166.700000109.4S126 I210 L211 A214 R271S126-A216 WeakPolarHBondContact OG-CB 3.24Å; I210-A216 HydrophobicContact CG2-CB 4.12Å; I210-A216 PolarHBondContact O-N 3.43Å; L211-A216 HydrophobicContact CD2-CB 3.9Å; L211-A216 WeakPolarHBondContact CD2-O 3.46Å; A214-A216 VanDerWaalsContact C-N 3.3Å; A216-R271 PolarHBondContact O-NH1 3.29Å
217V98.6Very high98.2Very high0 Ų02.2 Ų2.20%02%0.015CC..SBendtrans-105-35.3178.161.20000113.1A50 L53 Y71 V123 P124 L211 C270 R271 Y272A50-V217 HydrophobicContact CB-CG1 4.15Å; A50-V217 HydrophobicContact CB-CG2 4.22Å; L53-V217 HydrophobicContact CD1-CG1 4.39Å; Y71-V217 HydrophobicContact CE1-CB 3.89Å; Y71-V217 HydrophobicContact CE1-CG1 4.26Å; Y71-V217 WeakPolarHBondContact OH-CB 3.47Å; V123-V217 HydrophobicContact CG1-CG1 3.73Å; P124-V217 WeakPolarHBondContact O-CG1 3.33Å; L211-V217 VanDerWaalsContact CD2-C 3.49Å; V217-C270 WeakPolarHBondContact O-CA 3.48Å; V217-R271 PolarHBondContact O-N 2.97Å; V217-Y272 HydrophobicContact CG2-CD2 4.4Å; V217-Y272 HydrophobicContact CG2-CE2 4.5Å
218I98.9Very high98.2Very high0 Ų02.2 Ų2.20%02%0.015CC..EExtended strand (participates in β ladder)trans-132.6149.7176.957.1169000109.9A50 L120 V123 P124 L125 S126 M269 C270 D275 M279A50-I218 HydrophobicContact CB-CD1 4.36Å; A50-I218 HydrophobicContact CB-CG2 3.49Å; A50-I218 VanDerWaalsContact CB-CG2 3.49Å; L120-I218 HydrophobicContact CD1-CD1 3.92Å; L120-I218 HydrophobicContact CD2-CD1 4.37Å; V123-I218 HydrophobicContact CG1-CD1 3.69Å; V123-I218 HydrophobicContact CG1-CG1 3.96Å; P124-I218 VanDerWaalsContact O-CG1 3.3Å; P124-I218 WeakPolarHBondContact O-CG1 3.49Å; L125-I218 HydrophobicContact CB-CG1 4.4Å; L125-I218 HydrophobicContact CD1-CD1 4.16Å; L125-I218 HydrophobicContact CD1-CG1 3.95Å; S126-I218 PolarHBondContact N-O 3.4Å; S126-I218 PolarHBondContact OG-O 2.97Å; I218-M269 CarbonylContact C-O 3.57Å; I218-M269 WeakPolarHBondContact CA-O 3.42Å; I218-C270 HydrophobicContact CG2-CB 3.95Å; I218-D275 HydrophobicContact CG2-CB 4.08Å; I218-M279 HydrophobicContact CB-CE 3.69Å; I218-M279 HydrophobicContact CB-SD 3.55Å; I218-M279 VanDerWaalsContact CB-SD 3.55Å; I218-M279 HydrophobicContact CD1-CE 4.43Å; I218-M279 HydrophobicContact CD1-SD 4.5Å; I218-M279 HydrophobicContact CG2-CE 4.25Å; I218-M279 HydrophobicContact CG2-CG 4.38Å; I218-M279 HydrophobicContact CG2-SD 3.39Å; I218-M279 WeakPolarHBondContact CG2-SD 3.48Å
219G98.7Very high98.2Very high0 Ų02.2 Ų2.20%02%0.015CC..EExtended strand (participates in β ladder)trans-154163.6-174.400000112.8S126 E207 M269 M279S126-G219 VanDerWaalsContact O-CA 3.31Å; S126-G219 WeakPolarHBondContact O-CA 3.47Å; E207-G219 WeakPolarHBondContact OE2-CA 3.39Å; G219-M269 PolarHBondContact N-O 2.88Å; G219-M269 PolarHBondContact O-N 3.46Å; G219-M279 WeakPolarHBondContact O-CE 3.34Å
220V98.3Very high98.2Very high0 Ų02.3 Ų2.30%02%0.016CC..EExtended strand (participates in β ladder)trans-118.9127.8178.8178.90000110L125 S126 K128 Y131 L160 M283L125-V220 HydrophobicContact CD1-CG2 4.35Å; S126-V220 PolarHBondContact O-N 2.88Å; K128-V220 WeakPolarHBondContact CB-O 3.49Å; K128-V220 PolarHBondContact N-O 3.34Å; Y131-V220 HydrophobicContact CD1-CG1 4.1Å; Y131-V220 HydrophobicContact CD2-CG1 4.48Å; Y131-V220 HydrophobicContact CE1-CG1 3.62Å; Y131-V220 HydrophobicContact CE2-CG1 4.06Å; L160-V220 HydrophobicContact CD1-CG2 3.3Å; V220-M283 HydrophobicContact CB-CE 4.43Å; V220-M283 HydrophobicContact CG1-CE 3.73Å; V220-M283 HydrophobicContact CG2-CE 4.03Å; V220-M283 HydrophobicContact CG2-SD 4.38Å
221G97.8Very high98.2Very high0 Ų02.3 Ų2.30%02%0.016CC..EExtended strand (participates in β ladder)trans-130.2162.5176.200000113Y131 I228 G267Y131-G221 PolarHBondContact OH-O 2.91Å; G221-I228 WeakPolarHBondContact O-CD1 3.49Å; G221-G267 PolarHBondContact N-O 2.91Å; G221-G267 VanDerWaalsContact N-O 3.16Å; G221-G267 PolarHBondContact O-N 2.69Å
222S97.5Very high98.2Very high8 Ų82.3 Ų2.36%0.0562%0.016CC..EExtended strand (participates in β ladder)trans-116.1150.2173.658.60000110.8K128 Y131 S204 S227 S265K128-S222 PolarHBondContact NZ-O 3.42Å; K128-S222 PolarHBondContact NZ-OG 3.28Å; Y131-S222 WeakPolarHBondContact OH-CA 3.18Å; Y131-S222 VanDerWaalsContact OH-CB 3.29Å; Y131-S222 WeakPolarHBondContact OH-CB 3.48Å; Y131-S222 PolarHBondContact OH-N 2.86Å; S204-S222 PolarHBondContact OG-O 2.88Å; S222-S227 CarbonylContact O-C 3.56Å; S222-S227 VanDerWaalsContact O-C 3.31Å; S222-S227 WeakPolarHBondContact O-CB 2.82Å; S222-S265 CarbonylContact C-O 3.59Å; S222-S265 WeakPolarHBondContact CA-O 3.36Å
223D98.3Very high98.2Very high0 Ų02.3 Ų2.30%02%0.016CC..EExtended strand (participates in β ladder)trans-146.5115.3-172.5-169.5-44.1000111.3G226 S227 I228 R229 K241 S265 N473D223-G226 WeakPolarHBondContact OD1-CA 3.38Å; D223-G226 PolarHBondContact OD1-N 3.38Å; D223-G226 VanDerWaalsContact OD2-CA 3.29Å; D223-G226 WeakPolarHBondContact OD2-CA 3.25Å; D223-S227 VanDerWaalsContact CG-N 3.34Å; D223-S227 PolarHBondContact OD2-N 2.81Å; D223-I228 HydrophobicContact CB-CB 3.92Å; D223-I228 HydrophobicContact CB-CD1 3.74Å; D223-I228 HydrophobicContact CB-CG1 3.8Å; D223-I228 PolarHBondContact OD2-N 3.12Å; D223-R229 IonicContact OD1-CZ 3.98Å; D223-R229 IonicContact OD1-NE 3.73Å; D223-R229 IonicContact OD1-NH2 3.32Å; D223-R229 PolarHBondContact OD1-NH2 3.15Å; D223-R229 IonicContact OD2-CZ 3Å; D223-R229 PolarHBondContact OD2-N 3.5Å; D223-R229 IonicContact OD2-NE 3.97Å; D223-R229 PolarHBondContact OD2-NE 3.37Å; D223-R229 IonicContact OD2-NH2 3.05Å; D223-R229 PolarHBondContact OD2-NH2 2.94Å; D223-K241 HydrophobicContact CB-CB 4.45Å; D223-K241 HydrophobicContact CB-CD 4.38Å; D223-K241 HydrophobicContact CB-CG 3.93Å; D223-S265 PolarHBondContact N-O 3.25Å; D223-S265 PolarHBondContact O-N 2.72Å; D223-N473 PolarHBondContact O-ND2 3.44Å; D223-N473 VanDerWaalsContact O-ND2 3.1Å; D223-N473 PolarHBondContact OD1-ND2 3.48Å; D223-N473 PolarHBondContact OD1-OD1 3.04Å
224I96.6Very high98.2Very high16 Ų162.4 Ų2.48%0.0822%0.016CC..SBendtrans-121.2-15172.7-160.1161.9000113.1Q260 L264 W357 M361 N473I224-Q260 HydrophobicContact CD1-CB 4.06Å; I224-L264 HydrophobicContact CB-CD1 3.87Å; I224-L264 HydrophobicContact CD1-CB 4.05Å; I224-L264 HydrophobicContact CD1-CD1 4.31Å; I224-L264 HydrophobicContact CG1-CB 4.43Å; I224-L264 HydrophobicContact CG1-CD1 4.48Å; I224-W357 PolarHBondContact O-NE1 3.12Å; I224-M361 HydrophobicContact CD1-CE 3.41Å; I224-M361 VanDerWaalsContact CD1-CE 3.41Å; I224-M361 HydrophobicContact CD1-SD 3.87Å; I224-M361 HydrophobicContact CG1-CE 3.83Å; I224-M361 HydrophobicContact CG1-SD 3.82Å; I224-N473 VanDerWaalsContact C-ND2 3.25Å; I224-N473 VanDerWaalsContact CA-ND2 3.31Å; I224-N473 WeakPolarHBondContact CA-ND2 3.49Å; I224-N473 WeakPolarHBondContact O-CB 3.48Å; I224-N473 PolarHBondContact O-ND2 2.88Å
225G96.1Very high98.2Very high8 Ų82.4 Ų2.48%0.0822%0.016CC..SBendtrans-144.87.3179.300000113.6T469 G470G225-T469 WeakPolarHBondContact O-CB 3.35Å; G225-T469 PolarHBondContact O-OG1 3.22Å; G225-G470 PolarHBondContact O-N 3.32Å
226G97.4Very high98.2Very high0 Ų02.5 Ų2.50%02%0.017CC..SBendtrans123.64-170.300000115.4D223 I228 R229 I230 T469D223-G226 WeakPolarHBondContact OD1-CA 3.38Å; D223-G226 PolarHBondContact OD1-N 3.38Å; D223-G226 VanDerWaalsContact OD2-CA 3.29Å; D223-G226 WeakPolarHBondContact OD2-CA 3.25Å; G226-I228 CarbonylContact O-C 3.49Å; G226-I228 PolarHBondContact O-N 3.23Å; G226-R229 PolarHBondContact O-N 3.4Å; G226-I230 WeakPolarHBondContact O-CB 3.44Å; G226-I230 WeakPolarHBondContact O-CG1 3.38Å; G226-I230 PolarHBondContact O-N 3.07Å; G226-T469 VanDerWaalsContact CA-CB 3.43Å; G226-T469 WeakPolarHBondContact CA-OG1 3.47Å
227S98.1Very high98.3Very high13 Ų132.4 Ų2.49%0.0912%0.017CC..THydrogen-bonded Turntrans-66.5-8.6-168.8-600000116.1G202 S203 S204 S222 D223 P231G202-S227 WeakPolarHBondContact O-CA 3.42Å; S203-S227 VanDerWaalsContact N-CB 3.32Å; S203-S227 PolarHBondContact N-OG 2.98Å; S203-S227 VanDerWaalsContact N-OG 3.16Å; S203-S227 VanDerWaalsContact OG-CB 3.3Å; S203-S227 WeakPolarHBondContact OG-CB 3.44Å; S203-S227 PolarHBondContact OG-OG 3.34Å; S203-S227 VanDerWaalsContact OG-OG 3.13Å; S204-S227 WeakPolarHBondContact CB-O 3.14Å; S204-S227 PolarHBondContact N-O 3.16Å; S204-S227 PolarHBondContact OG-O 3.12Å; S222-S227 CarbonylContact O-C 3.56Å; S222-S227 VanDerWaalsContact O-C 3.31Å; S222-S227 WeakPolarHBondContact O-CB 2.82Å; D223-S227 VanDerWaalsContact CG-N 3.34Å; D223-S227 PolarHBondContact OD2-N 2.81Å; S227-P231 WeakPolarHBondContact O-CD 3.38Å; S227-P231 WeakPolarHBondContact O-CG 2.95Å
228I98.9Very high98.3Very high0 Ų02.4 Ų2.40%02%0.017CC..THydrogen-bonded Turntrans-95.7-50.9163.5-73.1164.7000109.4G221 D223 G226 I230 P231 C232 M269G221-I228 WeakPolarHBondContact O-CD1 3.49Å; D223-I228 HydrophobicContact CB-CB 3.92Å; D223-I228 HydrophobicContact CB-CD1 3.74Å; D223-I228 HydrophobicContact CB-CG1 3.8Å; D223-I228 PolarHBondContact OD2-N 3.12Å; G226-I228 CarbonylContact O-C 3.49Å; G226-I228 PolarHBondContact O-N 3.23Å; I228-I230 PolarHBondContact O-N 2.85Å; I228-P231 WeakPolarHBondContact O-CD 3.37Å; I228-C232 WeakPolarHBondContact O-CB 3.5Å; I228-C232 PolarHBondContact O-N 3.33Å; I228-C232 PolarHBondContact O-SG 2.8Å; I228-M269 HydrophobicContact CG1-SD 4.4Å; I228-M269 HydrophobicContact CG2-CG 3.91Å; I228-M269 HydrophobicContact CG2-SD 4.45Å
229R98.8Very high98.3Very high0 Ų02.4 Ų2.40%02%0.017CC..Hα-helixtrans-69-37.4-168.4-65.7165.2-68.2152.9-6.7113.5D223 G226 C232 F233 K241 T469 N473 V479 Q481D223-R229 IonicContact OD1-CZ 3.98Å; D223-R229 IonicContact OD1-NE 3.73Å; D223-R229 IonicContact OD1-NH2 3.32Å; D223-R229 PolarHBondContact OD1-NH2 3.15Å; D223-R229 IonicContact OD2-CZ 3Å; D223-R229 PolarHBondContact OD2-N 3.5Å; D223-R229 IonicContact OD2-NE 3.97Å; D223-R229 PolarHBondContact OD2-NE 3.37Å; D223-R229 IonicContact OD2-NH2 3.05Å; D223-R229 PolarHBondContact OD2-NH2 2.94Å; G226-R229 PolarHBondContact O-N 3.4Å; R229-C232 PolarHBondContact O-N 2.88Å; R229-F233 VanDerWaalsContact O-CB 3.24Å; R229-F233 WeakPolarHBondContact O-CB 3.07Å; R229-F233 PolarHBondContact O-N 2.95Å; R229-K241 HydrophobicContact CG-CB 4.46Å; R229-T469 HydrophobicContact CB-CG2 4.07Å; R229-T469 VanDerWaalsContact NH1-CA 3.28Å; R229-T469 PolarHBondContact NH1-O 3.23Å; R229-T469 PolarHBondContact NH2-O 3.19Å; R229-N473 PolarHBondContact NH2-OD1 3.36Å; R229-V479 HydrophobicContact CG-CG1 4.45Å; R229-Q481 HydrophobicContact CB-CB 4.18Å; R229-Q481 HydrophobicContact CG-CB 4.16Å
230I98.8Very high98.3Very high2 Ų22.4 Ų2.41%0.012%0.017CC..Hα-helixtrans-67.5-52.6178.7-62.9176.7000110.7L180 G226 I228 C232 F233 F234 F466 T469L180-I230 HydrophobicContact CD2-CD1 3.37Å; L180-I230 HydrophobicContact CD2-CG2 4.24Å; G226-I230 WeakPolarHBondContact O-CB 3.44Å; G226-I230 WeakPolarHBondContact O-CG1 3.38Å; G226-I230 PolarHBondContact O-N 3.07Å; I228-I230 PolarHBondContact O-N 2.85Å; I230-C232 VanDerWaalsContact C-N 3.34Å; I230-C232 PolarHBondContact O-N 3.02Å; I230-F233 PolarHBondContact O-N 3.38Å; I230-F234 HydrophobicContact CG2-CD2 3.78Å; I230-F234 HydrophobicContact CG2-CE2 3.34Å; I230-F234 HydrophobicContact CG2-CZ 3.82Å; I230-F234 PolarHBondContact O-N 3.5Å; I230-F466 HydrophobicContact CD1-CB 3.96Å; I230-T469 WeakPolarHBondContact CD1-OG1 3.39Å; I230-T469 HydrophobicContact CG1-CG2 3.96Å
231P98.8Very high98.3Very high0 Ų02.4 Ų2.40%02%0.017CC..Hα-helixtrans-56.2-44.4171.5-27.634.9000113.5A200 S204 S227 I228 F233 F234 N235 M269A200-P231 WeakPolarHBondContact O-CA 3.42Å; S204-P231 VanDerWaalsContact C-CG 3.48Å; S204-P231 VanDerWaalsContact O-CB 3.32Å; S204-P231 WeakPolarHBondContact O-CB 3.47Å; S227-P231 WeakPolarHBondContact O-CD 3.38Å; S227-P231 WeakPolarHBondContact O-CG 2.95Å; I228-P231 WeakPolarHBondContact O-CD 3.37Å; P231-F233 VanDerWaalsContact C-N 3.32Å; P231-F233 PolarHBondContact O-N 3.32Å; P231-F234 PolarHBondContact O-N 2.73Å; P231-N235 WeakPolarHBondContact O-CB 3.44Å; P231-N235 PolarHBondContact O-N 3.25Å; P231-N235 PolarHBondContact O-ND2 2.96Å; P231-M269 HydrophobicContact CB-CE 4.03Å
232C98.9Very high98.4Very high0 Ų02.5 Ų2.50%02%0.017CC..Hα-helixtrans-61-42.8178.5-74.10000112.1I228 R229 I230 G236 V237 F238 G239 M269 Q481I228-C232 WeakPolarHBondContact O-CB 3.5Å; I228-C232 PolarHBondContact O-N 3.33Å; I228-C232 PolarHBondContact O-SG 2.8Å; R229-C232 PolarHBondContact O-N 2.88Å; I230-C232 VanDerWaalsContact C-N 3.34Å; I230-C232 PolarHBondContact O-N 3.02Å; C232-G236 PolarHBondContact O-N 2.83Å; C232-V237 CarbonylContact C-O 3.51Å; C232-V237 HydrophobicContact CB-CG2 4.14Å; C232-V237 VanDerWaalsContact CB-O 3.32Å; C232-V237 WeakPolarHBondContact CB-O 3.36Å; C232-V237 PolarHBondContact O-N 3.27Å; C232-V237 VanDerWaalsContact O-O 3.05Å; C232-F238 VanDerWaalsContact SG-C 3.57Å; C232-F238 PolarHBondContact SG-O 3.41Å; C232-G239 WeakPolarHBondContact SG-CA 3.23Å; C232-M269 WeakPolarHBondContact SG-CE 3.44Å; C232-Q481 HydrophobicContact CB-CB 4.1Å; C232-Q481 HydrophobicContact CB-CG 3.84Å
233F98.9Very high98.4Very high1 Ų12.6 Ų2.60%0.0042%0.017CC..Hα-helixtrans-60.5-54175.5171.2-127.5000111.6R229 I230 P231 N235 G236 L323 P448 H449 R451 Q481 P492R229-F233 VanDerWaalsContact O-CB 3.24Å; R229-F233 WeakPolarHBondContact O-CB 3.07Å; R229-F233 PolarHBondContact O-N 2.95Å; I230-F233 PolarHBondContact O-N 3.38Å; P231-F233 VanDerWaalsContact C-N 3.32Å; P231-F233 PolarHBondContact O-N 3.32Å; F233-N235 VanDerWaalsContact C-N 3.3Å; F233-N235 PolarHBondContact O-N 3.26Å; F233-G236 PolarHBondContact O-N 2.86Å; F233-L323 HydrophobicContact CE2-CD2 3.99Å; F233-L323 HydrophobicContact CZ-CD1 4.18Å; F233-L323 HydrophobicContact CZ-CD2 3.78Å; F233-P448 HydrophobicContact CB-CB 3.95Å; F233-P448 HydrophobicContact CB-CG 4.11Å; F233-P448 HydrophobicContact CD1-CB 3.94Å; F233-P448 HydrophobicContact CD1-CG 3.69Å; F233-P448 HydrophobicContact CD2-CB 4.25Å; F233-P448 HydrophobicContact CD2-CG 3.46Å; F233-P448 VanDerWaalsContact CD2-CG 3.46Å; F233-P448 HydrophobicContact CE1-CG 3.95Å; F233-P448 HydrophobicContact CE2-CG 3.73Å; F233-P448 HydrophobicContact CG-CB 3.77Å; F233-P448 HydrophobicContact CG-CG 3.44Å; F233-P448 VanDerWaalsContact CG-CG 3.44Å; F233-P448 HydrophobicContact CZ-CG 3.97Å; F233-H449 HydrophobicContact CD1-CB 3.87Å; F233-H449 HydrophobicContact CE1-CB 3.65Å; F233-R451 WeakPolarHBondContact CE1-O 3.37Å; F233-Q481 HydrophobicContact CB-CG 4.05Å; F233-P492 WeakPolarHBondContact O-CB 3.15Å
234F98.8Very high98.3Very high1 Ų13.9 Ų3.90%0.0043%0.026CC..Hα-helixtrans-67.3-28.8-174.8-68.8-18.5000113.9N192 I199 G201 I230 P231 H449 A453 P492N192-F234 PolarHBondContact ND2-O 3.35Å; I199-F234 HydrophobicContact CD1-CD2 4.15Å; I199-F234 HydrophobicContact CD1-CE2 3.55Å; I199-F234 HydrophobicContact CD1-CZ 4.4Å; I199-F234 HydrophobicContact CG1-CD2 3.9Å; I199-F234 HydrophobicContact CG1-CE2 3.79Å; G201-F234 VanDerWaalsContact CA-CD2 3.46Å; I230-F234 HydrophobicContact CG2-CD2 3.78Å; I230-F234 HydrophobicContact CG2-CE2 3.34Å; I230-F234 HydrophobicContact CG2-CZ 3.82Å; I230-F234 PolarHBondContact O-N 3.5Å; P231-F234 PolarHBondContact O-N 2.73Å; F234-H449 HydrophobicContact CE1-CB 4.24Å; F234-H449 AromaticContact CE1-CG 3.97Å; F234-H449 AromaticContact CE1-ND1 3.96Å; F234-H449 AromaticContact CZ-CD2 3.94Å; F234-H449 AromaticContact CZ-CG 3.91Å; F234-H449 AromaticContact CZ-ND1 3.93Å; F234-A453 HydrophobicContact CB-CB 3.88Å; F234-A453 HydrophobicContact CD1-CB 3.82Å; F234-A453 HydrophobicContact CD2-CB 4.32Å; F234-A453 HydrophobicContact CE1-CB 4.44Å; F234-A453 HydrophobicContact CG-CB 3.76Å; F234-P492 WeakPolarHBondContact O-CG 3.35Å
235N98.8Very high98.2Very high0 Ų05.4 Ų5.40%05%0.045CC..THydrogen-bonded Turntrans-102.711-179.7-53.3-78.8000112.9P193 Y194 A200 G208 P231 F233 V237P193-N235 WeakPolarHBondContact CD-OD1 3.41Å; Y194-N235 VanDerWaalsContact CE2-O 3.31Å; Y194-N235 WeakPolarHBondContact CE2-O 3.44Å; A200-N235 PolarHBondContact O-ND2 2.9Å; G208-N235 VanDerWaalsContact C-CB 3.49Å; G208-N235 VanDerWaalsContact C-ND2 3.34Å; G208-N235 WeakPolarHBondContact O-CB 3.02Å; P231-N235 WeakPolarHBondContact O-CB 3.44Å; P231-N235 PolarHBondContact O-N 3.25Å; P231-N235 PolarHBondContact O-ND2 2.96Å; F233-N235 VanDerWaalsContact C-N 3.3Å; F233-N235 PolarHBondContact O-N 3.26Å; N235-V237 VanDerWaalsContact C-N 3.3Å; N235-V237 PolarHBondContact O-N 2.83Å
236G98.4Very high98.2Very high2 Ų25 Ų52%0.0214%0.041CC..THydrogen-bonded Turntrans62.434172.100000114.2C232 F233 P492 W521C232-G236 PolarHBondContact O-N 2.83Å; F233-G236 PolarHBondContact O-N 2.86Å; G236-P492 VanDerWaalsContact CA-CB 3.49Å; G236-W521 VanDerWaalsContact O-CA 3.31Å; G236-W521 WeakPolarHBondContact O-CA 3.47Å; G236-W521 WeakPolarHBondContact O-CB 3.32Å
237V98.8Very high98.3Very high0 Ų05.2 Ų5.20%04%0.042CC..  trans-118.8164.4178-62.90000110.4L211 C232 N235 C270 R271 W521L211-V237 HydrophobicContact CB-CG1 3.98Å; L211-V237 HydrophobicContact CB-CG2 4.35Å; C232-V237 CarbonylContact C-O 3.51Å; C232-V237 HydrophobicContact CB-CG2 4.14Å; C232-V237 VanDerWaalsContact CB-O 3.32Å; C232-V237 WeakPolarHBondContact CB-O 3.36Å; C232-V237 PolarHBondContact O-N 3.27Å; C232-V237 VanDerWaalsContact O-O 3.05Å; N235-V237 VanDerWaalsContact C-N 3.3Å; N235-V237 PolarHBondContact O-N 2.83Å; V237-C270 WeakPolarHBondContact CB-O 3.12Å; V237-R271 HydrophobicContact CG1-CG 4.22Å; V237-W521 HydrophobicContact CG1-CG 4.48Å
238F98.9Very high98.2Very high0 Ų06.3 Ų6.30%05%0.05CC..EExtended strand (participates in β ladder)trans-81.9148.6176-63.6-93.8000110.7C232 M269 C270 R271 A273 L276 Q481 C482 P483 A511 E515C232-F238 VanDerWaalsContact SG-C 3.57Å; C232-F238 PolarHBondContact SG-O 3.41Å; F238-M269 WeakPolarHBondContact O-CA 3.17Å; F238-C270 WeakPolarHBondContact CA-O 3.34Å; F238-C270 PolarHBondContact N-O 3.31Å; F238-C270 PolarHBondContact O-N 2.7Å; F238-R271 VanDerWaalsContact CD2-O 3.29Å; F238-R271 WeakPolarHBondContact CD2-O 3.38Å; F238-R271 WeakPolarHBondContact CE2-O 3.17Å; F238-A273 HydrophobicContact CD1-CB 3.95Å; F238-A273 HydrophobicContact CD2-CB 4.48Å; F238-A273 HydrophobicContact CE1-CB 3.69Å; F238-A273 HydrophobicContact CE2-CB 4.26Å; F238-A273 HydrophobicContact CG-CB 4.35Å; F238-A273 HydrophobicContact CZ-CB 3.89Å; F238-L276 HydrophobicContact CB-CD1 4.07Å; F238-L276 HydrophobicContact CB-CD2 4.16Å; F238-L276 HydrophobicContact CB-CG 4.3Å; F238-L276 HydrophobicContact CD1-CD1 4.41Å; F238-Q481 WeakPolarHBondContact CA-O 3.3Å; F238-C482 HydrophobicContact CD1-CB 4.5Å; F238-C482 HydrophobicContact CE1-CB 4.26Å; F238-P483 HydrophobicContact CD1-CG 4.42Å; F238-P483 HydrophobicContact CD2-CG 4.03Å; F238-P483 HydrophobicContact CE1-CG 4.13Å; F238-P483 HydrophobicContact CE2-CG 3.71Å; F238-P483 HydrophobicContact CG-CG 4.36Å; F238-P483 HydrophobicContact CZ-CG 3.74Å; F238-A511 HydrophobicContact CD1-CB 4.3Å; F238-A511 HydrophobicContact CE1-CB 4.35Å; F238-E515 HydrophobicContact CE1-CB 4.31Å; F238-E515 HydrophobicContact CE2-CG 4.28Å; F238-E515 VanDerWaalsContact CE2-OE1 3.3Å; F238-E515 WeakPolarHBondContact CE2-OE1 3.44Å; F238-E515 HydrophobicContact CZ-CB 3.67Å; F238-E515 HydrophobicContact CZ-CG 3.88Å
239G98.8Very high98Very high0 Ų08 Ų80%06%0.062CC..EExtended strand (participates in β ladder)trans-154.2138.5172.500000111.3C232 P268 T480 Q481C232-G239 WeakPolarHBondContact SG-CA 3.23Å; G239-P268 WeakPolarHBondContact CA-O 3.44Å; G239-T480 CarbonylContact O-C 3.5Å; G239-T480 WeakPolarHBondContact O-CA 3.47Å; G239-Q481 PolarHBondContact N-O 3.04Å; G239-Q481 PolarHBondContact O-N 3.14Å
240H98.9Very high97.8Very high0 Ų014.2 Ų14.20%09%0.091CC..EExtended strand (participates in β ladder)trans-118.8118.7-179.6-176.970.9000110.8G267 P268 L276 V479 T480 D504 T507 L508H240-G267 WeakPolarHBondContact O-CA 3.24Å; H240-P268 HydrophobicContact CB-CG 4.04Å; H240-P268 PolarHBondContact N-O 3.5Å; H240-L276 HydrophobicContact CB-CD2 4.1Å; H240-V479 WeakPolarHBondContact CA-O 3.39Å; H240-V479 PolarHBondContact ND1-O 2.92Å; H240-T480 PolarHBondContact ND1-OG1 2.92Å; H240-D504 IonicContact CE1-OD1 3.36Å; H240-D504 IonicContact NE2-OD1 2.97Å; H240-D504 PolarHBondContact NE2-OD1 2.72Å; H240-T507 PolarHBondContact CE1-OG1 3.22Å; H240-L508 HydrophobicContact CB-CD2 4.19Å
241K98.7Very high97.7Very high0 Ų017.8 Ų17.80%011%0.11CC..EExtended strand (participates in β ladder)trans-88.8111.6165.8-174.8-155.577.668.90108D223 R229 N473 L477 P478 V479D223-K241 HydrophobicContact CB-CB 4.45Å; D223-K241 HydrophobicContact CB-CD 4.38Å; D223-K241 HydrophobicContact CB-CG 3.93Å; R229-K241 HydrophobicContact CG-CB 4.46Å; K241-N473 WeakPolarHBondContact CD-ND2 3.34Å; K241-L477 WeakPolarHBondContact CE-O 3.45Å; K241-L477 PolarHBondContact NZ-O 2.97Å; K241-P478 WeakPolarHBondContact O-CA 3.47Å; K241-V479 HydrophobicContact CB-CB 4.48Å; K241-V479 PolarHBondContact N-O 2.87Å; K241-V479 PolarHBondContact O-N 3.42Å
242T98.3Very high97.5Very high1 Ų119 Ų191%0.00612%0.115CC..PPolyproline II helixtrans-66.8167.5-17966.30000112.4V247 S265 S266 L280 D504T242-V247 HydrophobicContact CG2-CG2 3.9Å; T242-S265 PolarHBondContact O-OG 2.75Å; T242-S266 WeakPolarHBondContact CG2-O 3.32Å; T242-S266 PolarHBondContact OG1-O 3.42Å; T242-L280 HydrophobicContact CG2-CD1 3.31Å; T242-D504 VanDerWaalsContact CA-OD1 3.24Å; T242-D504 WeakPolarHBondContact CA-OD1 3.43Å
243T97.8Very high97.4Very high10 Ų1020.9 Ų20.96%0.06112%0.123CC..PPolyproline II helixtrans-53.7134.1155.8-60.10000109V246 P478 L502 D504T243-V246 WeakPolarHBondContact O-CB 3.44Å; T243-V246 WeakPolarHBondContact O-CG2 3.2Å; T243-V246 PolarHBondContact O-N 3Å; T243-P478 WeakPolarHBondContact OG1-CD 3.4Å; T243-L502 HydrophobicContact CG2-CD2 3.7Å; T243-L502 HydrophobicContact CG2-CG 4.24Å; T243-L502 PolarHBondContact OG1-N 3.18Å; T243-D504 PolarHBondContact N-OD1 3.35Å; T243-D504 PolarHBondContact OG1-OD2 3.04Å
244P96.4Very high97.2Very high28 Ų2822 Ų2218%0.18213%0.13CC..THydrogen-bonded Turntrans-56.1146.1178.4-25.233.5000112.7V246 E262 G476P244-V246 PolarHBondContact O-N 3.34Å; P244-E262 WeakPolarHBondContact CB-O 2.9Å; P244-E262 VanDerWaalsContact CG-O 3.31Å; P244-E262 WeakPolarHBondContact CG-O 3.33Å; P244-G476 WeakPolarHBondContact CD-O 3.36Å
245G94.9Very high96.8Very high47 Ų4724.6 Ų24.649%0.48515%0.147SC..THydrogen-bonded Turntrans75.6-1-179.700000116N287G245-N287 PolarHBondContact O-ND2 2.86Å
246V96.8Very high96.5Very high1 Ų127.4 Ų27.41%0.00616%0.164CC..SBendtrans-73.5-56.3171.6171.80000110.5T243 P244 A284 N287 L291 L502T243-V246 WeakPolarHBondContact O-CB 3.44Å; T243-V246 WeakPolarHBondContact O-CG2 3.2Å; T243-V246 PolarHBondContact O-N 3Å; P244-V246 PolarHBondContact O-N 3.34Å; V246-A284 HydrophobicContact CG1-CB 3.71Å; V246-N287 WeakPolarHBondContact O-CB 3.18Å; V246-N287 PolarHBondContact O-ND2 3.4Å; V246-L291 HydrophobicContact CG1-CD1 3.63Å; V246-L291 HydrophobicContact CG1-CG 4.15Å; V246-L291 HydrophobicContact CG2-CD1 4.31Å; V246-L291 HydrophobicContact CG2-CD2 4.04Å; V246-L291 HydrophobicContact CG2-CG 4.22Å; V246-L502 HydrophobicContact CG2-CD2 4.12Å
247V97.9Very high96.2Very high3 Ų328 Ų282%0.01817%0.169CC..SBendtrans-97.2129.7178.3179.60000109.1P156 T242 C249 L280 M283P156-V247 HydrophobicContact CB-CG1 3.9Å; P156-V247 HydrophobicContact CG-CG1 4.22Å; T242-V247 HydrophobicContact CG2-CG2 3.9Å; V247-C249 PolarHBondContact O-N 3.44Å; V247-L280 HydrophobicContact CG2-CD1 4.05Å; V247-M283 HydrophobicContact CG1-CB 4.11Å; V247-M283 HydrophobicContact CG1-CE 4.2Å; V247-M283 HydrophobicContact CG2-CB 4Å
248S96.4Very high95.8Very high37 Ų3728.2 Ų28.226%0.25917%0.171SC..  trans-60.8136.4179.5175.50000111.5E250S248-E250 WeakPolarHBondContact OG-CG 3.4Å; S248-E250 PolarHBondContact OG-N 3.02Å
249C94.2Very high95.5Very high36 Ų3628.8 Ų28.824%0.24317%0.174CC..  trans-103.211.4174.6-62.80000113.4V247 Q252 L264 S266V247-C249 PolarHBondContact O-N 3.44Å; C249-Q252 VanDerWaalsContact CA-NE2 3.3Å; C249-Q252 WeakPolarHBondContact O-CG 3.44Å; C249-L264 HydrophobicContact CB-CD2 3.78Å; C249-L264 HydrophobicContact CB-CG 4.4Å; C249-S266 PolarHBondContact SG-OG 3Å
250E95.4Very high95.2Very high129 Ų12930 Ų3060%0.60318%0.18SC*.THydrogen-bonded Turntrans-65.5155.8178.7-67.2178.2164.600112.4P155 S248 Q252P155-E250 WeakPolarHBondContact CD-O 3.27Å; P155-E250 HydrophobicContact CG-CB 4.08Å; S248-E250 WeakPolarHBondContact OG-CG 3.4Å; S248-E250 PolarHBondContact OG-N 3.02Å; E250-Q252 PolarHBondContact O-N 3.42Å
251N96.4Very high94.9Very high78 Ų7834.4 Ų34.442%0.41720%0.2SC..THydrogen-bonded Turntrans55.336.9-178.6-63.6-41.5000113S132 A154S132-N251 VanDerWaalsContact CB-O 3.29Å; S132-N251 WeakPolarHBondContact CB-O 2.95Å; S132-N251 PolarHBondContact N-O 2.9Å; S132-N251 PolarHBondContact OG-O 2.94Å; A154-N251 HydrophobicContact CB-CB 4.13Å
252Q95.8Very high94.8Very high24 Ų2438.2 Ų38.211%0.11222%0.218CC..BIsolated β-bridgetrans-109.2156.5167.4-64.9-17839.400111.4S130 Y131 C249 E250 S266S130-Q252 CarbonylContact O-C 3Å; S130-Q252 WeakPolarHBondContact O-CA 3.37Å; S130-Q252 WeakPolarHBondContact O-CB 3.3Å; Y131-Q252 HydrophobicContact CD1-CG 3.8Å; Y131-Q252 VanDerWaalsContact CE1-CD 3.41Å; Y131-Q252 HydrophobicContact CE1-CG 3.96Å; Y131-Q252 HydrophobicContact CG-CG 4.09Å; Y131-Q252 VanDerWaalsContact CZ-NE2 3.3Å; Y131-Q252 PolarHBondContact OH-NE2 3.49Å; C249-Q252 VanDerWaalsContact CA-NE2 3.3Å; C249-Q252 WeakPolarHBondContact O-CG 3.44Å; E250-Q252 PolarHBondContact O-N 3.42Å; Q252-S266 PolarHBondContact NE2-OG 2.85Å
253Y95.4Very high94.7Very high40 Ų4038.9 Ų38.916%0.15722%0.221CC..SBendtrans-131138.2171.6-167-91.1000110.8S130 T140 L142 R145 L176S130-Y253 VanDerWaalsContact CB-O 3.22Å; S130-Y253 WeakPolarHBondContact CB-O 3.44Å; S130-Y253 PolarHBondContact O-N 3.04Å; T140-Y253 WeakPolarHBondContact CG2-O 3.14Å; T140-Y253 WeakPolarHBondContact OG1-CD1 3.35Å; T140-Y253 PolarHBondContact OG1-O 3.31Å; L142-Y253 HydrophobicContact CD1-CE1 4.23Å; R145-Y253 VanDerWaalsContact CD-CE1 3.46Å; L176-Y253 HydrophobicContact CD2-CD1 4.4Å; L176-Y253 HydrophobicContact CD2-CE1 3.65Å
254P94.4Very high94.6Very high24 Ų2439.3 Ų39.316%0.15622%0.222CC..SBendcis-65.6153.5-3.629.7-36.4000112.9L176 L377L176-P254 HydrophobicContact CD2-CB 4.29Å; L176-P254 WeakPolarHBondContact O-CG 3.29Å; P254-L377 HydrophobicContact CB-CD1 4.01Å; P254-L377 HydrophobicContact CB-CD2 4.26Å
255P92.4Very high94.7Very high57 Ų5738 Ų3837%0.3721%0.214SC..PPolyproline II helixtrans-69150.7172.931.3-35.3000110.3L372P255-L372 HydrophobicContact CG-CD1 4.31Å
256T91.5Very high94.8Very high58 Ų5835.8 Ų35.836%0.35619%0.191SC..PPolyproline II helixtrans-68.7147.8169.251.50000110.8Q260 H261 L264T256-Q260 HydrophobicContact CG2-CB 4.41Å; T256-H261 HydrophobicContact CG2-CB 4.37Å; T256-L264 HydrophobicContact CG2-CB 4.02Å; T256-L264 HydrophobicContact CG2-CD2 3.35Å; T256-L264 HydrophobicContact CG2-CG 4.31Å
257S91.5Very high94.9Very high16 Ų1635.8 Ų35.811%0.11219%0.191CC..  trans-145.6156.3176.758.70000111.1T259 Q260 P371 L372S257-T259 PolarHBondContact O-N 2.9Å; S257-Q260 VanDerWaalsContact O-CB 3.26Å; S257-Q260 WeakPolarHBondContact O-CB 3.2Å; S257-Q260 VanDerWaalsContact O-CD 3.31Å; S257-Q260 WeakPolarHBondContact O-CG 3.25Å; S257-Q260 PolarHBondContact O-N 2.83Å; S257-Q260 PolarHBondContact O-OE1 2.95Å; S257-Q260 PolarHBondContact OG-OE1 3.02Å; S257-P371 WeakPolarHBondContact OG-CA 3.15Å; S257-L372 PolarHBondContact OG-N 2.8Å
258G91.1Very high94.9Very high4 Ų435.6 Ų35.64%0.04119%0.19CC..G310 helixtrans54.8-138.1-168.900000111.4Q260 H261G258-Q260 VanDerWaalsContact C-N 3.3Å; G258-Q260 PolarHBondContact O-N 2.81Å; G258-H261 PolarHBondContact O-CE1 3.3Å; G258-H261 PolarHBondContact O-ND1 3.23Å
259T92.4Very high95Very high12 Ų1233.9 Ų33.97%0.07418%0.177CC..G310 helixtrans-80.81.5178.657.10000115S257 H261 E262 Y263 Y360 L363 P364S257-T259 PolarHBondContact O-N 2.9Å; T259-H261 PolarHBondContact O-N 3.36Å; T259-E262 WeakPolarHBondContact O-CB 3.36Å; T259-E262 PolarHBondContact O-N 3.27Å; T259-Y263 WeakPolarHBondContact O-CD2 3.43Å; T259-Y360 PolarHBondContact OG1-O 2.78Å; T259-L363 HydrophobicContact CG2-CB 3.89Å; T259-L363 PolarHBondContact N-O 3.04Å; T259-L363 PolarHBondContact OG1-O 3.06Å; T259-P364 VanDerWaalsContact CG2-O 3.26Å; T259-P364 WeakPolarHBondContact CG2-O 3.27Å
260Q93.8Very high95.2Very high25 Ų2532.1 Ų32.112%0.11717%0.166CC..G310 helixtrans-57.6-28.2-175.6-65.6175.6-7.400113.6I224 T256 S257 G258 E262 Y263 L264 M361I224-Q260 HydrophobicContact CD1-CB 4.06Å; T256-Q260 HydrophobicContact CG2-CB 4.41Å; S257-Q260 VanDerWaalsContact O-CB 3.26Å; S257-Q260 WeakPolarHBondContact O-CB 3.2Å; S257-Q260 VanDerWaalsContact O-CD 3.31Å; S257-Q260 WeakPolarHBondContact O-CG 3.25Å; S257-Q260 PolarHBondContact O-N 2.83Å; S257-Q260 PolarHBondContact O-OE1 2.95Å; S257-Q260 PolarHBondContact OG-OE1 3.02Å; G258-Q260 VanDerWaalsContact C-N 3.3Å; G258-Q260 PolarHBondContact O-N 2.81Å; Q260-E262 PolarHBondContact O-N 2.54Å; Q260-Y263 PolarHBondContact O-N 3.06Å; Q260-Y263 VanDerWaalsContact O-N 3.12Å; Q260-L264 PolarHBondContact O-N 3.14Å; Q260-M361 HydrophobicContact CB-CE 4.34Å; Q260-M361 HydrophobicContact CG-CE 3.58Å; Q260-M361 HydrophobicContact CG-SD 4.22Å
261H92.4Very high95.4Very high93 Ų9326 Ų2643%0.43114%0.137SC..G310 helixtrans-64.2-22.1177.670.3-83.8000113.3T256 G258 T259 Y263T256-H261 HydrophobicContact CG2-CB 4.37Å; G258-H261 PolarHBondContact O-CE1 3.3Å; G258-H261 PolarHBondContact O-ND1 3.23Å; T259-H261 PolarHBondContact O-N 3.36Å; H261-Y263 VanDerWaalsContact C-N 3.3Å
262E94.8Very high95.5Very high80 Ų8024.1 Ų24.137%0.37412%0.124SC..G310 helixtrans-73.8-22.8174.6-61.7176.1-161.400112.7P244 T259 Q260P244-E262 WeakPolarHBondContact CB-O 2.9Å; P244-E262 VanDerWaalsContact CG-O 3.31Å; P244-E262 WeakPolarHBondContact CG-O 3.33Å; T259-E262 WeakPolarHBondContact O-CB 3.36Å; T259-E262 PolarHBondContact O-N 3.27Å; Q260-E262 PolarHBondContact O-N 2.54Å
263Y96.3Very high95.6Very high15 Ų1523 Ų236%0.05912%0.12CC..THydrogen-bonded Turntrans-115.1-24.5-169.4-51.7-57.2000113.2T259 Q260 H261 S265 Y360 M361 N473 I474T259-Y263 WeakPolarHBondContact O-CD2 3.43Å; Q260-Y263 PolarHBondContact O-N 3.06Å; Q260-Y263 VanDerWaalsContact O-N 3.12Å; H261-Y263 VanDerWaalsContact C-N 3.3Å; Y263-S265 PolarHBondContact O-N 2.92Å; Y263-Y360 WeakPolarHBondContact OH-CD1 3.3Å; Y263-M361 HydrophobicContact CD2-SD 4.48Å; Y263-N473 WeakPolarHBondContact CD1-O 3.37Å; Y263-I474 HydrophobicContact CD1-CD1 4.07Å; Y263-I474 HydrophobicContact CD2-CD1 4.01Å; Y263-I474 HydrophobicContact CE1-CD1 4.45Å; Y263-I474 HydrophobicContact CE1-CG2 4.36Å; Y263-I474 WeakPolarHBondContact CE1-O 3.27Å; Y263-I474 HydrophobicContact CE2-CD1 4.43Å; Y263-I474 HydrophobicContact CG-CD1 3.85Å
264L96.8Very high95.8Very high19 Ų1924.2 Ų24.210%0.09913%0.127CC..  trans-64.6129.5173.2-175.564000110I224 C249 T256 Q260I224-L264 HydrophobicContact CB-CD1 3.87Å; I224-L264 HydrophobicContact CD1-CB 4.05Å; I224-L264 HydrophobicContact CD1-CD1 4.31Å; I224-L264 HydrophobicContact CG1-CB 4.43Å; I224-L264 HydrophobicContact CG1-CD1 4.48Å; C249-L264 HydrophobicContact CB-CD2 3.78Å; C249-L264 HydrophobicContact CB-CG 4.4Å; T256-L264 HydrophobicContact CG2-CB 4.02Å; T256-L264 HydrophobicContact CG2-CD2 3.35Å; T256-L264 HydrophobicContact CG2-CG 4.31Å; Q260-L264 PolarHBondContact O-N 3.14Å
265S97.3Very high96Very high1 Ų123 Ų231%0.00712%0.119CC..EExtended strand (participates in β ladder)trans-128.9143.1174.5-56.40000109.9S222 D223 T242 Y263S222-S265 CarbonylContact C-O 3.59Å; S222-S265 WeakPolarHBondContact CA-O 3.36Å; D223-S265 PolarHBondContact N-O 3.25Å; D223-S265 PolarHBondContact O-N 2.72Å; T242-S265 PolarHBondContact O-OG 2.75Å; Y263-S265 PolarHBondContact O-N 2.92Å
266S97.6Very high96.3Very high0 Ų020.3 Ų20.30%010%0.102CC..EExtended strand (participates in β ladder)trans-108.3148.3170.5-680000109.2Y131 T242 C249 Q252Y131-S266 WeakPolarHBondContact OH-CB 3.18Å; Y131-S266 PolarHBondContact OH-OG 3.47Å; T242-S266 WeakPolarHBondContact CG2-O 3.32Å; T242-S266 PolarHBondContact OG1-O 3.42Å; C249-S266 PolarHBondContact SG-OG 3Å; Q252-S266 PolarHBondContact NE2-OG 2.85Å
267G98.3Very high96.6Very high0 Ų020.6 Ų20.60%010%0.1CC..EExtended strand (participates in β ladder)trans-170.6173178.500000115.1G221 H240G221-G267 PolarHBondContact N-O 2.91Å; G221-G267 VanDerWaalsContact N-O 3.16Å; G221-G267 PolarHBondContact O-N 2.69Å; H240-G267 WeakPolarHBondContact O-CA 3.24Å
268P98.8Very high96.9Very high0 Ų021.5 Ų21.50%011%0.106CC..EExtended strand (participates in β ladder)trans-76.2146.3-175.730.8-34.9000112G239 H240 L276 M279 L280 M283G239-P268 WeakPolarHBondContact CA-O 3.44Å; H240-P268 HydrophobicContact CB-CG 4.04Å; H240-P268 PolarHBondContact N-O 3.5Å; P268-L276 HydrophobicContact CB-CD2 4.44Å; P268-L276 HydrophobicContact CG-CD2 4.09Å; P268-M279 HydrophobicContact CB-CB 3.62Å; P268-M279 HydrophobicContact CB-CE 3.64Å; P268-M279 HydrophobicContact CB-CG 4.33Å; P268-M279 HydrophobicContact CB-SD 3.7Å; P268-M279 HydrophobicContact CG-CB 4.25Å; P268-L280 HydrophobicContact CG-CB 4.45Å; P268-M283 HydrophobicContact CB-SD 4.02Å
269M98.9Very high97.2Very high0 Ų021.3 Ų21.30%010%0.104CC..EExtended strand (participates in β ladder)trans-124.2134.5167.1-61.6173.369.700107.6E207 L211 I218 G219 I228 P231 C232 F238E207-M269 HydrophobicContact CB-CE 3.67Å; E207-M269 HydrophobicContact CB-SD 3.7Å; E207-M269 HydrophobicContact CG-SD 4.24Å; L211-M269 HydrophobicContact CD1-CB 3.48Å; L211-M269 VanDerWaalsContact CD1-CB 3.48Å; I218-M269 CarbonylContact C-O 3.57Å; I218-M269 WeakPolarHBondContact CA-O 3.42Å; G219-M269 PolarHBondContact N-O 2.88Å; G219-M269 PolarHBondContact O-N 3.46Å; I228-M269 HydrophobicContact CG1-SD 4.4Å; I228-M269 HydrophobicContact CG2-CG 3.91Å; I228-M269 HydrophobicContact CG2-SD 4.45Å; P231-M269 HydrophobicContact CB-CE 4.03Å; C232-M269 WeakPolarHBondContact SG-CE 3.44Å; F238-M269 WeakPolarHBondContact O-CA 3.17Å
270C98.9Very high97.5Very high0 Ų020.7 Ų20.70%010%0.1CC..EExtended strand (participates in β ladder)trans-158.3162.1-176.559.10000111.9V217 I218 V237 F238 Y272 D275 L276 M279V217-C270 WeakPolarHBondContact O-CA 3.48Å; I218-C270 HydrophobicContact CG2-CB 3.95Å; V237-C270 WeakPolarHBondContact CB-O 3.12Å; F238-C270 WeakPolarHBondContact CA-O 3.34Å; F238-C270 PolarHBondContact N-O 3.31Å; F238-C270 PolarHBondContact O-N 2.7Å; C270-Y272 PolarHBondContact SG-O 2.96Å; C270-D275 HydrophobicContact CB-CB 3.99Å; C270-L276 WeakPolarHBondContact SG-CD2 3.41Å; C270-L276 VanDerWaalsContact SG-CG 3.56Å; C270-M279 HydrophobicContact CB-SD 4.28Å
271R98.1Very high97.7Very high0 Ų024.3 Ų24.30%012%0.116CC..SBendtrans-76.7-26.7176.5-67.9-169.1-55.6-119.84.6113.8L46 Q48 Y71 L211 A214 A216 V217 V237 F238 W521L46-R271 VanDerWaalsContact O-CZ 3.28Å; L46-R271 PolarHBondContact O-NH2 2.74Å; Q48-R271 PolarHBondContact O-NH2 3.01Å; Y71-R271 PolarHBondContact OH-NH2 2.89Å; L211-R271 HydrophobicContact CB-CG 4.48Å; L211-R271 WeakPolarHBondContact O-CD 3.36Å; L211-R271 WeakPolarHBondContact O-CG 3.47Å; A214-R271 PolarHBondContact O-NH1 2.84Å; A216-R271 PolarHBondContact O-NH1 3.29Å; V217-R271 PolarHBondContact O-N 2.97Å; V237-R271 HydrophobicContact CG1-CG 4.22Å; F238-R271 VanDerWaalsContact CD2-O 3.29Å; F238-R271 WeakPolarHBondContact CD2-O 3.38Å; F238-R271 WeakPolarHBondContact CE2-O 3.17Å; R271-W521 HydrophobicContact CB-CD2 4.44Å; R271-W521 HydrophobicContact CB-CG 4.39Å; R271-W521 HydrophobicContact CG-CD2 4.39Å; R271-W521 HydrophobicContact CG-CG 4.43Å
272Y98.8Very high98Very high38 Ų3821 Ų2115%0.14910%0.101CC..SBendtrans-122.8138.2-173.7-57.2-84000111.9L47 Q48 V217 C270 E274 D275 E515L47-Y272 WeakPolarHBondContact CA-OH 3.32Å; L47-Y272 PolarHBondContact O-OH 2.88Å; Q48-Y272 VanDerWaalsContact C-CE2 3.49Å; Q48-Y272 VanDerWaalsContact O-CE2 3.28Å; Q48-Y272 WeakPolarHBondContact O-CE2 3.48Å; V217-Y272 HydrophobicContact CG2-CD2 4.4Å; V217-Y272 HydrophobicContact CG2-CE2 4.5Å; C270-Y272 PolarHBondContact SG-O 2.96Å; Y272-E274 PolarHBondContact O-N 2.93Å; Y272-D275 PolarHBondContact O-N 3.27Å; Y272-E515 VanDerWaalsContact CA-OE1 3.23Å; Y272-E515 WeakPolarHBondContact CA-OE1 3.38Å
273A98.7Very high98.2Very high2 Ų217.4 Ų17.42%0.0178%0.084CC..G310 helixtrans-64.1-31-176.100000112.6F238 D275 L276 A511 L512 E515F238-A273 HydrophobicContact CD1-CB 3.95Å; F238-A273 HydrophobicContact CD2-CB 4.48Å; F238-A273 HydrophobicContact CE1-CB 3.69Å; F238-A273 HydrophobicContact CE2-CB 4.26Å; F238-A273 HydrophobicContact CG-CB 4.35Å; F238-A273 HydrophobicContact CZ-CB 3.89Å; A273-D275 PolarHBondContact O-N 3.32Å; A273-L276 WeakPolarHBondContact O-CB 3.44Å; A273-L276 PolarHBondContact O-N 2.98Å; A273-L276 VanDerWaalsContact O-N 3.17Å; A273-A511 HydrophobicContact CB-CB 4.18Å; A273-L512 HydrophobicContact CB-CD2 4.07Å; A273-L512 HydrophobicContact CB-CG 4.37Å; A273-E515 HydrophobicContact CB-CB 4.02Å; A273-E515 WeakPolarHBondContact CB-OE2 3.49Å; A273-E515 PolarHBondContact N-OE1 3.34Å; A273-E515 PolarHBondContact N-OE2 2.86Å
274E98.4Very high98.3Very high64 Ų6416.8 Ų16.830%0.2998%0.082SC..G310 helixtrans-61.5-23.6178.267.5175.6144.900114S49 Q52 Y272 P278 L512S49-E274 WeakPolarHBondContact CB-OE1 3.22Å; S49-E274 PolarHBondContact OG-OE1 3.37Å; Q52-E274 PolarHBondContact NE2-OE1 3.4Å; Y272-E274 PolarHBondContact O-N 2.93Å; E274-P278 WeakPolarHBondContact O-CD 3.37Å; E274-L512 HydrophobicContact CB-CD2 3.9Å
275D98.8Very high98.2Very high0 Ų017 Ų170%09%0.089CC..G310 helixtrans-81.3-17.9180-63.6-35.4000112.9S49 A50 T51 I218 C270 Y272 A273 L277 P278 M279S49-D275 WeakPolarHBondContact CB-OD2 3.24Å; A50-D275 HydrophobicContact CB-CB 4.38Å; A50-D275 WeakPolarHBondContact CB-OD1 3.46Å; A50-D275 PolarHBondContact N-OD1 3.37Å; A50-D275 PolarHBondContact N-OD2 2.95Å; T51-D275 WeakPolarHBondContact CB-OD1 3.45Å; T51-D275 PolarHBondContact N-OD1 3.2Å; T51-D275 PolarHBondContact OG1-OD1 3.19Å; I218-D275 HydrophobicContact CG2-CB 4.08Å; C270-D275 HydrophobicContact CB-CB 3.99Å; Y272-D275 PolarHBondContact O-N 3.27Å; A273-D275 PolarHBondContact O-N 3.32Å; D275-L277 PolarHBondContact O-N 3.42Å; D275-P278 WeakPolarHBondContact O-CD 3.33Å; D275-P278 WeakPolarHBondContact O-CG 3.44Å; D275-M279 WeakPolarHBondContact O-CB 3.41Å; D275-M279 WeakPolarHBondContact O-CG 3.36Å; D275-M279 PolarHBondContact O-N 3.2Å
276L98.8Very high98.1Very high0 Ų022.3 Ų22.30%012%0.123CC..Hα-helixtrans-64.1-45.7-176.4-67.6170.5000112.8F238 H240 P268 C270 A273 L280 T480 L508 A511F238-L276 HydrophobicContact CB-CD1 4.07Å; F238-L276 HydrophobicContact CB-CD2 4.16Å; F238-L276 HydrophobicContact CB-CG 4.3Å; F238-L276 HydrophobicContact CD1-CD1 4.41Å; H240-L276 HydrophobicContact CB-CD2 4.1Å; P268-L276 HydrophobicContact CB-CD2 4.44Å; P268-L276 HydrophobicContact CG-CD2 4.09Å; C270-L276 WeakPolarHBondContact SG-CD2 3.41Å; C270-L276 VanDerWaalsContact SG-CG 3.56Å; A273-L276 WeakPolarHBondContact O-CB 3.44Å; A273-L276 PolarHBondContact O-N 2.98Å; A273-L276 VanDerWaalsContact O-N 3.17Å; L276-L280 WeakPolarHBondContact O-CB 3.39Å; L276-L280 PolarHBondContact O-N 2.77Å; L276-T480 HydrophobicContact CD1-CG2 3.66Å; L276-L508 HydrophobicContact CB-CD2 3.65Å; L276-L508 HydrophobicContact CD1-CD2 3.8Å; L276-L508 HydrophobicContact CG-CD2 4.32Å; L276-A511 HydrophobicContact CD1-CB 4.18Å
277L98.1Very high98.1Very high63 Ų6324.2 Ų24.233%0.3313%0.134SC..Hα-helixtrans-65-52.6-176.5-176.168.3000113D275 M279 L280 K281 L293 L508D275-L277 PolarHBondContact O-N 3.42Å; L277-M279 VanDerWaalsContact C-N 3.31Å; L277-M279 PolarHBondContact O-N 3.48Å; L277-L280 PolarHBondContact O-N 2.76Å; L277-K281 WeakPolarHBondContact O-CB 3.19Å; L277-K281 PolarHBondContact O-N 2.81Å; L277-L293 HydrophobicContact CD1-CB 4.1Å; L277-L293 HydrophobicContact CD1-CD2 3.96Å; L277-L508 HydrophobicContact CB-CD1 4.24Å; L277-L508 HydrophobicContact CD1-CD1 3.68Å
278P98Very high98Very high35 Ų3525.4 Ų25.423%0.22714%0.144CC..Hα-helixtrans-61.2-40.9177.322.6-32000111.4E274 D275 K281 I282E274-P278 WeakPolarHBondContact O-CD 3.37Å; D275-P278 WeakPolarHBondContact O-CD 3.33Å; D275-P278 WeakPolarHBondContact O-CG 3.44Å; P278-K281 PolarHBondContact O-N 2.9Å; P278-I282 VanDerWaalsContact O-CD1 3.29Å; P278-I282 WeakPolarHBondContact O-CD1 3.3Å; P278-I282 VanDerWaalsContact O-CG1 3.25Å; P278-I282 WeakPolarHBondContact O-CG1 3.45Å; P278-I282 PolarHBondContact O-N 3.25Å; P278-I282 VanDerWaalsContact O-N 3.08Å
279M98.6Very high97.8Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-61.6-47.3176.3-71.4-178.576.700112.4L120 I218 G219 P268 C270 D275 L277 K281 I282 M283L120-M279 HydrophobicContact CD1-CG 4.48Å; I218-M279 HydrophobicContact CB-CE 3.69Å; I218-M279 HydrophobicContact CB-SD 3.55Å; I218-M279 VanDerWaalsContact CB-SD 3.55Å; I218-M279 HydrophobicContact CD1-CE 4.43Å; I218-M279 HydrophobicContact CD1-SD 4.5Å; I218-M279 HydrophobicContact CG2-CE 4.25Å; I218-M279 HydrophobicContact CG2-CG 4.38Å; I218-M279 HydrophobicContact CG2-SD 3.39Å; I218-M279 WeakPolarHBondContact CG2-SD 3.48Å; G219-M279 WeakPolarHBondContact O-CE 3.34Å; P268-M279 HydrophobicContact CB-CB 3.62Å; P268-M279 HydrophobicContact CB-CE 3.64Å; P268-M279 HydrophobicContact CB-CG 4.33Å; P268-M279 HydrophobicContact CB-SD 3.7Å; P268-M279 HydrophobicContact CG-CB 4.25Å; C270-M279 HydrophobicContact CB-SD 4.28Å; D275-M279 WeakPolarHBondContact O-CB 3.41Å; D275-M279 WeakPolarHBondContact O-CG 3.36Å; D275-M279 PolarHBondContact O-N 3.2Å; L277-M279 VanDerWaalsContact C-N 3.31Å; L277-M279 PolarHBondContact O-N 3.48Å; M279-K281 VanDerWaalsContact C-N 3.31Å; M279-K281 PolarHBondContact O-N 3.28Å; M279-I282 PolarHBondContact O-N 3.31Å; M279-M283 HydrophobicContact CB-SD 4.49Å; M279-M283 WeakPolarHBondContact O-CB 3.27Å; M279-M283 WeakPolarHBondContact O-CG 3.43Å; M279-M283 PolarHBondContact O-N 3.3Å
280L98.6Very high97.6Very high0 Ų037.1 Ų37.10%020%0.196CC..Hα-helixtrans-60.6-43178.517756.2000111.3T242 V247 P268 L276 L277 I282 M283 A284 L291 L293 D504 L508T242-L280 HydrophobicContact CG2-CD1 3.31Å; V247-L280 HydrophobicContact CG2-CD1 4.05Å; P268-L280 HydrophobicContact CG-CB 4.45Å; L276-L280 WeakPolarHBondContact O-CB 3.39Å; L276-L280 PolarHBondContact O-N 2.77Å; L277-L280 PolarHBondContact O-N 2.76Å; L280-I282 VanDerWaalsContact C-N 3.29Å; L280-I282 PolarHBondContact O-N 3.49Å; L280-M283 PolarHBondContact O-N 3.35Å; L280-A284 WeakPolarHBondContact O-CB 3.48Å; L280-A284 PolarHBondContact O-N 2.86Å; L280-L291 HydrophobicContact CD2-CD1 4.03Å; L280-L291 HydrophobicContact CG-CD1 4.36Å; L280-L293 HydrophobicContact CD2-CD1 4.45Å; L280-L293 HydrophobicContact CD2-CD2 3.76Å; L280-L293 HydrophobicContact CG-CD1 4.12Å; L280-L293 HydrophobicContact CG-CD2 4.32Å; L280-D504 HydrophobicContact CD2-CB 4.13Å; L280-L508 HydrophobicContact CD2-CD1 3.81Å
281K97.9Very high97.5Very high100 Ų10037.6 Ų37.644%0.43520%0.199SC..Hα-helixtrans-58.4-42.4178-172.2173.2176.7175.70111.6L277 P278 M279 L293 N294L277-K281 WeakPolarHBondContact O-CB 3.19Å; L277-K281 PolarHBondContact O-N 2.81Å; P278-K281 PolarHBondContact O-N 2.9Å; M279-K281 VanDerWaalsContact C-N 3.31Å; M279-K281 PolarHBondContact O-N 3.28Å; K281-L293 HydrophobicContact CB-CD1 3.97Å; K281-L293 HydrophobicContact CG-CD1 4.38Å; K281-N294 PolarHBondContact NZ-OD1 3.35Å
282I98.5Very high97.4Very high25 Ų2540.4 Ų40.413%0.12822%0.219CC..Hα-helixtrans-68.2-49.6176.7-64157.1000110.9P119 L120 L159 L160 A163 P278 M279 L280 A284 G285P119-I282 HydrophobicContact CG-CD1 3.72Å; P119-I282 HydrophobicContact CG-CG1 4.18Å; L120-I282 HydrophobicContact CD1-CD1 3.55Å; L120-I282 HydrophobicContact CG-CD1 3.77Å; L159-I282 HydrophobicContact CB-CG2 3.98Å; L159-I282 WeakPolarHBondContact CD1-O 3.38Å; L159-I282 WeakPolarHBondContact O-CG2 3.4Å; L160-I282 HydrophobicContact CD2-CB 4.28Å; L160-I282 HydrophobicContact CD2-CD1 4.45Å; L160-I282 HydrophobicContact CD2-CG2 3.92Å; L160-I282 HydrophobicContact CG-CG2 4.29Å; A163-I282 HydrophobicContact CB-CD1 3.75Å; A163-I282 HydrophobicContact CB-CG1 4.08Å; A163-I282 HydrophobicContact CB-CG2 3.84Å; P278-I282 VanDerWaalsContact O-CD1 3.29Å; P278-I282 WeakPolarHBondContact O-CD1 3.3Å; P278-I282 VanDerWaalsContact O-CG1 3.25Å; P278-I282 WeakPolarHBondContact O-CG1 3.45Å; P278-I282 PolarHBondContact O-N 3.25Å; P278-I282 VanDerWaalsContact O-N 3.08Å; M279-I282 PolarHBondContact O-N 3.31Å; L280-I282 VanDerWaalsContact C-N 3.29Å; L280-I282 PolarHBondContact O-N 3.49Å; I282-A284 PolarHBondContact O-N 2.84Å; I282-G285 PolarHBondContact O-N 3.43Å; I282-G285 VanDerWaalsContact O-N 3.14Å
283M98.6Very high97.1Very high3 Ų339.1 Ų39.12%0.01521%0.214CC..Hα-helixtrans-67.3-33.2-175.4-69172.670.600113.1P156 L160 V220 V247 P268 M279 L280 G285P156-M283 HydrophobicContact CB-CB 4.34Å; P156-M283 HydrophobicContact CB-CE 4.01Å; P156-M283 HydrophobicContact CB-CG 4.24Å; L160-M283 HydrophobicContact CD1-CG 4Å; L160-M283 HydrophobicContact CD1-SD 4.22Å; L160-M283 HydrophobicContact CD2-CG 4.13Å; L160-M283 HydrophobicContact CG-CG 4.04Å; V220-M283 HydrophobicContact CB-CE 4.43Å; V220-M283 HydrophobicContact CG1-CE 3.73Å; V220-M283 HydrophobicContact CG2-CE 4.03Å; V220-M283 HydrophobicContact CG2-SD 4.38Å; V247-M283 HydrophobicContact CG1-CB 4.11Å; V247-M283 HydrophobicContact CG1-CE 4.2Å; V247-M283 HydrophobicContact CG2-CB 4Å; P268-M283 HydrophobicContact CB-SD 4.02Å; M279-M283 HydrophobicContact CB-SD 4.49Å; M279-M283 WeakPolarHBondContact O-CB 3.27Å; M279-M283 WeakPolarHBondContact O-CG 3.43Å; M279-M283 PolarHBondContact O-N 3.3Å; L280-M283 PolarHBondContact O-N 3.35Å; M283-G285 PolarHBondContact O-N 2.84Å
284A97.9Very high96.9Very high3 Ų345.1 Ų45.13%0.02525%0.246CC..Hα-helixtrans-66.8-27.3175.500000111.7V246 L280 I282 N287 A288V246-A284 HydrophobicContact CG1-CB 3.71Å; L280-A284 WeakPolarHBondContact O-CB 3.48Å; L280-A284 PolarHBondContact O-N 2.86Å; I282-A284 PolarHBondContact O-N 2.84Å; A284-N287 WeakPolarHBondContact O-CA 3.47Å; A284-N287 WeakPolarHBondContact O-CB 3.33Å; A284-N287 PolarHBondContact O-N 2.66Å; A284-A288 HydrophobicContact CB-CB 3.99Å
285G95.8Very high96.7Very high23 Ų2344.5 Ų44.524%0.23725%0.252CS..G310 helixtrans49.8-124.5175.100000112.1I282 M283 N287 A288I282-G285 PolarHBondContact O-N 3.43Å; I282-G285 VanDerWaalsContact O-N 3.14Å; M283-G285 PolarHBondContact O-N 2.84Å; G285-N287 PolarHBondContact O-N 2.97Å; G285-N287 VanDerWaalsContact O-N 3.09Å; G285-A288 VanDerWaalsContact O-CB 3.3Å; G285-A288 WeakPolarHBondContact O-CB 3.42Å; G285-A288 PolarHBondContact O-N 3.01Å
286P94.8Very high96.5Very high112 Ų11249.6 Ų49.673%0.72729%0.294SS*.G310 helixtrans-56.7-25.8177.9-24.734.3000114.4H289P286-H289 PolarHBondContact O-CE1 3.33Å; P286-H289 PolarHBondContact O-ND1 3.25Å
287N96.8Very high96.4Very high41 Ų4151.3 Ų51.322%0.21930%0.304CS..G310 helixtrans-85.8-1.8-179.9-69.5-41.4000113.7G245 V246 A284 G285 H289 K290G245-N287 PolarHBondContact O-ND2 2.86Å; V246-N287 WeakPolarHBondContact O-CB 3.18Å; V246-N287 PolarHBondContact O-ND2 3.4Å; A284-N287 WeakPolarHBondContact O-CA 3.47Å; A284-N287 WeakPolarHBondContact O-CB 3.33Å; A284-N287 PolarHBondContact O-N 2.66Å; G285-N287 PolarHBondContact O-N 2.97Å; G285-N287 VanDerWaalsContact O-N 3.09Å; N287-H289 PolarHBondContact O-N 2.8Å; N287-H289 VanDerWaalsContact O-N 3.13Å; N287-K290 HydrophobicContact CB-CD 4.09Å; N287-K290 VanDerWaalsContact O-CB 3.29Å; N287-K290 WeakPolarHBondContact O-CB 3.31Å; N287-K290 PolarHBondContact O-N 3.01Å; N287-K290 VanDerWaalsContact OD1-CE 3.25Å; N287-K290 WeakPolarHBondContact OD1-CE 3.49Å; N287-K290 PolarHBondContact OD1-NZ 2.92Å
288A95.7Very high96.4Very high25 Ų2551.8 Ų51.821%0.20731%0.307CS..G310 helixtrans-56.8-31-179.300000112.7A284 G285 K290 L291A284-A288 HydrophobicContact CB-CB 3.99Å; G285-A288 VanDerWaalsContact O-CB 3.3Å; G285-A288 WeakPolarHBondContact O-CB 3.42Å; G285-A288 PolarHBondContact O-N 3.01Å; A288-K290 PolarHBondContact O-N 3.43Å; A288-L291 PolarHBondContact O-N 3.05Å; A288-L291 VanDerWaalsContact O-N 3.08Å
289H94.8Very high96.4Very high149 Ų14951.4 Ų51.469%0.6930%0.303SS*.G310 helixtrans-65.1-18.2176.573.4-86.9000114.2P286 N287 L291P286-H289 PolarHBondContact O-CE1 3.33Å; P286-H289 PolarHBondContact O-ND1 3.25Å; N287-H289 PolarHBondContact O-N 2.8Å; N287-H289 VanDerWaalsContact O-N 3.13Å; H289-L291 PolarHBondContact O-N 3.27Å
290K96.1Very high96.4Very high96 Ų9658 Ų5842%0.41733%0.332SS..G310 helixtrans-71.1-17.9174.2-62.7178.8175.5166.30111.9N287 A288 L502N287-K290 HydrophobicContact CB-CD 4.09Å; N287-K290 VanDerWaalsContact O-CB 3.29Å; N287-K290 WeakPolarHBondContact O-CB 3.31Å; N287-K290 PolarHBondContact O-N 3.01Å; N287-K290 VanDerWaalsContact OD1-CE 3.25Å; N287-K290 WeakPolarHBondContact OD1-CE 3.49Å; N287-K290 PolarHBondContact OD1-NZ 2.92Å; A288-K290 PolarHBondContact O-N 3.43Å; K290-L502 HydrophobicContact CB-CD2 4.41Å
291L96.3Very high96.4Very high11 Ų1165.5 Ų65.56%0.05836%0.364CS..SBendtrans-111.4150.5-176.9-63.2-173.4000111.1V246 L280 A288 H289 L293 L502 D504V246-L291 HydrophobicContact CG1-CD1 3.63Å; V246-L291 HydrophobicContact CG1-CG 4.15Å; V246-L291 HydrophobicContact CG2-CD1 4.31Å; V246-L291 HydrophobicContact CG2-CD2 4.04Å; V246-L291 HydrophobicContact CG2-CG 4.22Å; L280-L291 HydrophobicContact CD2-CD1 4.03Å; L280-L291 HydrophobicContact CG-CD1 4.36Å; A288-L291 PolarHBondContact O-N 3.05Å; A288-L291 VanDerWaalsContact O-N 3.08Å; H289-L291 PolarHBondContact O-N 3.27Å; L291-L293 HydrophobicContact CB-CD1 4.3Å; L291-L293 HydrophobicContact CB-CD2 3.96Å; L291-L293 HydrophobicContact CB-CG 3.66Å; L291-L293 HydrophobicContact CD1-CD1 4.16Å; L291-L293 HydrophobicContact CD1-CD2 3.87Å; L291-L293 HydrophobicContact CD1-CG 4.11Å; L291-L293 PolarHBondContact O-N 3.33Å; L291-L502 HydrophobicContact CD2-CB 4.05Å; L291-L502 HydrophobicContact CD2-CD2 3.83Å; L291-D504 HydrophobicContact CD1-CB 4.11Å; L291-D504 HydrophobicContact CD2-CB 4.25Å; L291-D504 WeakPolarHBondContact CD2-OD2 3.34Å
292S94.9Very high96.4Very high59 Ų5961.6 Ų61.641%0.41335%0.348SS..  trans-88.845.2175.8-61.60000112.4N294 A295 H505S292-N294 VanDerWaalsContact C-N 3.27Å; S292-N294 PolarHBondContact O-N 2.78Å; S292-A295 VanDerWaalsContact O-CB 3.32Å; S292-A295 WeakPolarHBondContact O-CB 3.49Å; S292-A295 PolarHBondContact O-N 2.87Å; S292-H505 PolarHBondContact O-CD2 3.41Å
293L93.3Very high96.4Very high11 Ų1165 Ų656%0.05836%0.359CS..THydrogen-bonded Turntrans-64.8-23.7-169.8-63.1-178.5000115L277 L280 K281 L291 H505L277-L293 HydrophobicContact CD1-CB 4.1Å; L277-L293 HydrophobicContact CD1-CD2 3.96Å; L280-L293 HydrophobicContact CD2-CD1 4.45Å; L280-L293 HydrophobicContact CD2-CD2 3.76Å; L280-L293 HydrophobicContact CG-CD1 4.12Å; L280-L293 HydrophobicContact CG-CD2 4.32Å; K281-L293 HydrophobicContact CB-CD1 3.97Å; K281-L293 HydrophobicContact CG-CD1 4.38Å; L291-L293 HydrophobicContact CB-CD1 4.3Å; L291-L293 HydrophobicContact CB-CD2 3.96Å; L291-L293 HydrophobicContact CB-CG 3.66Å; L291-L293 HydrophobicContact CD1-CD1 4.16Å; L291-L293 HydrophobicContact CD1-CD2 3.87Å; L291-L293 HydrophobicContact CD1-CG 4.11Å; L291-L293 PolarHBondContact O-N 3.33Å; L293-H505 HydrophobicContact CD2-CB 4.35Å
294N93.6Very high96.4Very high128 Ų12865 Ų6568%0.68436%0.359SS*.THydrogen-bonded Turntrans-93.6-3.2177-56.2-46.9000112.6K281 S292 A296K281-N294 PolarHBondContact NZ-OD1 3.35Å; S292-N294 VanDerWaalsContact C-N 3.27Å; S292-N294 PolarHBondContact O-N 2.78Å; N294-A296 PolarHBondContact O-N 3.38Å
295A94.5Very high96.5Very high51 Ų5165.1 Ų65.142%0.42136%0.359SS..SBendtrans-73.6127.4179.900000109.9S292 V297S292-A295 VanDerWaalsContact O-CB 3.32Å; S292-A295 WeakPolarHBondContact O-CB 3.49Å; S292-A295 PolarHBondContact O-N 2.87Å; A295-V297 PolarHBondContact O-N 3.04Å
296A94.7Very high96.6Very high106 Ų10664.4 Ų64.488%0.87635%0.351SS*.  trans-64.9130.1172.100000109.9N294N294-A296 PolarHBondContact O-N 3.38Å
297V97.8Very high96.8Very high37 Ų3759.1 Ų59.122%0.22432%0.316CS..  trans-101.4114.8179-177.10000109.3A295 L299 L302 H505 L506 A509A295-V297 PolarHBondContact O-N 3.04Å; V297-L299 HydrophobicContact CG1-CD2 4.01Å; V297-L299 PolarHBondContact O-N 2.8Å; V297-L302 HydrophobicContact CG1-CD1 3.88Å; V297-L302 HydrophobicContact CG1-CD2 4.31Å; V297-L302 HydrophobicContact CG1-CG 4.39Å; V297-H505 VanDerWaalsContact CG2-CD2 3.45Å; V297-H505 WeakPolarHBondContact CG2-CD2 3.3Å; V297-L506 HydrophobicContact CG1-CD2 3.74Å; V297-L506 HydrophobicContact CG2-CD2 3.94Å; V297-A509 HydrophobicContact CB-CB 3.61Å; V297-A509 HydrophobicContact CG1-CB 3.81Å; V297-A509 HydrophobicContact CG2-CB 3.85Å
298D97.8Very high96.8Very high72 Ų7258.3 Ų58.339%0.38531%0.313SS..  trans-87.9100.4169.5-177.3-4.9000109.3K300 K301D298-K300 PolarHBondContact O-N 2.89Å; D298-K300 VanDerWaalsContact O-N 3.08Å; D298-K300 WeakPolarHBondContact OD1-CB 3.4Å; D298-K300 PolarHBondContact OD1-N 2.84Å; D298-K300 VanDerWaalsContact OD1-N 3.12Å; D298-K301 HydrophobicContact CB-CD 4.06Å; D298-K301 HydrophobicContact CB-CG 4.24Å; D298-K301 PolarHBondContact O-N 3.43Å; D298-K301 WeakPolarHBondContact OD2-CD 3.32Å; D298-K301 WeakPolarHBondContact OD2-CE 3.44Å; D298-K301 IonicContact OD2-NZ 3.61Å
299L98.3Very high96.7Very high27 Ų2761 Ų6114%0.14132%0.321CS..G310 helixtrans-58.1-24.8-177-60.8179.6000113.1V297 K301 L302 F304 L338 A509 V510 Y513V297-L299 HydrophobicContact CG1-CD2 4.01Å; V297-L299 PolarHBondContact O-N 2.8Å; L299-K301 PolarHBondContact O-N 3.13Å; L299-L302 HydrophobicContact CD2-CD1 3.78Å; L299-L302 PolarHBondContact O-N 3.47Å; L299-F304 WeakPolarHBondContact O-CE2 3.42Å; L299-L338 HydrophobicContact CB-CD1 3.74Å; L299-L338 HydrophobicContact CB-CD2 4.15Å; L299-L338 HydrophobicContact CD1-CD1 4.5Å; L299-A509 HydrophobicContact CD2-CB 4.1Å; L299-V510 HydrophobicContact CD2-CG2 3.83Å; L299-Y513 HydrophobicContact CD1-CD2 4.12Å; L299-Y513 HydrophobicContact CD1-CG 3.94Å
300K98.1Very high96.6Very high139 Ų13954.2 Ų54.260%0.60429%0.29SS*.G310 helixtrans-72.8-18.4179.3-59.3-173.7-179.8-176.60113.1D298 L338D298-K300 PolarHBondContact O-N 2.89Å; D298-K300 VanDerWaalsContact O-N 3.08Å; D298-K300 WeakPolarHBondContact OD1-CB 3.4Å; D298-K300 PolarHBondContact OD1-N 2.84Å; D298-K300 VanDerWaalsContact OD1-N 3.12Å; K300-L338 HydrophobicContact CG-CB 4.34Å; K300-L338 HydrophobicContact CG-CD2 4.37Å
301K97.9Very high96.2Very high157 Ų15750.5 Ų50.568%0.68328%0.279SS*.G310 helixtrans-92.6-7.4178.8-65.7179.9-176.9164.40113.1D298 L299D298-K301 HydrophobicContact CB-CD 4.06Å; D298-K301 HydrophobicContact CB-CG 4.24Å; D298-K301 PolarHBondContact O-N 3.43Å; D298-K301 WeakPolarHBondContact OD2-CD 3.32Å; D298-K301 WeakPolarHBondContact OD2-CE 3.44Å; D298-K301 IonicContact OD2-NZ 3.61Å; L299-K301 PolarHBondContact O-N 3.13Å
302L98.5Very high95.8Very high18 Ų1851.7 Ų51.79%0.09429%0.294CS..SBendtrans-79.5149.1-179.6-57.3-176.9000111.4V297 L299 F304 D441 V443 L506 V510V297-L302 HydrophobicContact CG1-CD1 3.88Å; V297-L302 HydrophobicContact CG1-CD2 4.31Å; V297-L302 HydrophobicContact CG1-CG 4.39Å; L299-L302 HydrophobicContact CD2-CD1 3.78Å; L299-L302 PolarHBondContact O-N 3.47Å; L302-F304 HydrophobicContact CB-CD2 4.36Å; L302-F304 HydrophobicContact CB-CE2 3.76Å; L302-F304 HydrophobicContact CB-CZ 4.02Å; L302-F304 HydrophobicContact CD1-CZ 4.18Å; L302-D441 WeakPolarHBondContact CA-O 3.47Å; L302-D441 WeakPolarHBondContact CD2-O 3.43Å; L302-V443 HydrophobicContact CD1-CG2 4.01Å; L302-L506 HydrophobicContact CD2-CD1 4.3Å; L302-L506 HydrophobicContact CD2-CD2 3.87Å; L302-V510 HydrophobicContact CD1-CG2 4.32Å
303R98.7Very high95.5Very high96 Ų9649.2 Ų49.236%0.36228%0.276SS..EExtended strand (participates in β ladder)trans-93.8122.6170.6-62.9-176.9-65.1125.511.5108.7F305 L437 D441 G442 V443R303-F305 HydrophobicContact CB-CE2 3.84Å; R303-F305 HydrophobicContact CB-CZ 3.91Å; R303-L437 PolarHBondContact NH1-O 2.93Å; R303-L437 PolarHBondContact NH2-O 2.91Å; R303-D441 IonicContact CZ-OD1 2.77Å; R303-D441 VanDerWaalsContact CZ-OD1 3.32Å; R303-D441 IonicContact CZ-OD2 2.88Å; R303-D441 PolarHBondContact N-O 3.36Å; R303-D441 IonicContact NE-OD1 3.95Å; R303-D441 PolarHBondContact NE-OD1 2.91Å; R303-D441 IonicContact NE-OD2 3.47Å; R303-D441 PolarHBondContact NE-OD2 2.63Å; R303-D441 IonicContact NH2-OD1 2.72Å; R303-D441 PolarHBondContact NH2-OD1 3.28Å; R303-G442 CarbonylContact O-C 3.32Å; R303-G442 WeakPolarHBondContact O-CA 3.42Å; R303-V443 PolarHBondContact O-N 3.08Å
304F98.8Very high95Very high3 Ų349 Ų491%0.01328%0.275CS..EExtended strand (participates in β ladder)trans-104.7136.2-178.3-70.7-87.3000111.7L299 L302 L334 L338 V340 V342 Q343 V443 V510L299-F304 WeakPolarHBondContact O-CE2 3.42Å; L302-F304 HydrophobicContact CB-CD2 4.36Å; L302-F304 HydrophobicContact CB-CE2 3.76Å; L302-F304 HydrophobicContact CB-CZ 4.02Å; L302-F304 HydrophobicContact CD1-CZ 4.18Å; F304-L334 HydrophobicContact CD1-CD1 3.95Å; F304-L334 HydrophobicContact CE1-CD1 4.14Å; F304-L334 HydrophobicContact CE1-CD2 4Å; F304-L334 HydrophobicContact CZ-CD2 4.05Å; F304-L338 HydrophobicContact CE2-CD1 4.21Å; F304-L338 HydrophobicContact CZ-CD1 4.23Å; F304-V340 HydrophobicContact CD2-CB 4.09Å; F304-V340 HydrophobicContact CD2-CG1 4.28Å; F304-V340 HydrophobicContact CD2-CG2 3.67Å; F304-V340 HydrophobicContact CE2-CB 4.45Å; F304-V340 HydrophobicContact CE2-CG1 4.19Å; F304-V340 HydrophobicContact CE2-CG2 4Å; F304-V342 HydrophobicContact CB-CB 4.25Å; F304-V342 HydrophobicContact CB-CG1 4.07Å; F304-V342 HydrophobicContact CB-CG2 3.8Å; F304-V342 WeakPolarHBondContact O-CA 3.47Å; F304-Q343 PolarHBondContact O-N 2.96Å; F304-V443 CarbonylContact C-O 3.57Å; F304-V443 WeakPolarHBondContact CA-O 3.5Å; F304-V443 HydrophobicContact CD1-CB 4Å; F304-V443 HydrophobicContact CD1-CG1 4.11Å; F304-V443 HydrophobicContact CE1-CB 4.08Å; F304-V443 HydrophobicContact CE1-CG1 4.1Å; F304-V510 HydrophobicContact CE1-CG2 4.01Å; F304-V510 HydrophobicContact CZ-CG2 4.34Å
305F98.8Very high94.6Very high6 Ų645 Ų453%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-126.4152.5177.6-54.2-77.8000110.5R303 Q343 V345 L437 V443 L444 L445R303-F305 HydrophobicContact CB-CE2 3.84Å; R303-F305 HydrophobicContact CB-CZ 3.91Å; F305-Q343 CarbonylContact C-O 3.13Å; F305-Q343 WeakPolarHBondContact CA-O 3.48Å; F305-Q343 HydrophobicContact CD1-CB 3.87Å; F305-Q343 HydrophobicContact CD1-CG 4.4Å; F305-Q343 HydrophobicContact CE1-CB 4.18Å; F305-V345 HydrophobicContact CB-CG2 4.25Å; F305-V345 HydrophobicContact CD1-CG1 3.99Å; F305-L437 HydrophobicContact CB-CD2 4.11Å; F305-L437 HydrophobicContact CD1-CD1 3.68Å; F305-L437 HydrophobicContact CD1-CD2 4.07Å; F305-L437 HydrophobicContact CD1-CG 4.07Å; F305-L437 HydrophobicContact CD2-CD1 4.3Å; F305-L437 HydrophobicContact CD2-CD2 3.93Å; F305-L437 HydrophobicContact CD2-CG 3.85Å; F305-L437 HydrophobicContact CE1-CD1 3.41Å; F305-L437 VanDerWaalsContact CE1-CD1 3.41Å; F305-L437 HydrophobicContact CE1-CG 4.04Å; F305-L437 HydrophobicContact CE2-CD1 4.06Å; F305-L437 HydrophobicContact CE2-CD2 4.39Å; F305-L437 HydrophobicContact CE2-CG 3.79Å; F305-L437 HydrophobicContact CG-CD1 4.13Å; F305-L437 HydrophobicContact CG-CD2 3.75Å; F305-L437 HydrophobicContact CG-CG 3.99Å; F305-L437 HydrophobicContact CZ-CD1 3.6Å; F305-L437 HydrophobicContact CZ-CG 3.89Å; F305-V443 PolarHBondContact N-O 3.15Å; F305-L444 HydrophobicContact CB-CB 4.38Å; F305-L444 HydrophobicContact CB-CD1 3.72Å; F305-L444 WeakPolarHBondContact O-CA 3.41Å; F305-L445 PolarHBondContact O-N 2.7Å
306S98.6Very high94.3Very high9 Ų942.8 Ų42.86%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-131.8131.2175.3-159.60000110.4Q327 Q343 E344 V345S306-Q327 PolarHBondContact OG-NE2 2.92Å; S306-Q343 PolarHBondContact N-O 2.96Å; S306-E344 WeakPolarHBondContact O-CA 3.37Å; S306-V345 PolarHBondContact O-N 2.88Å
307V98.4Very high94.1Very high1 Ų140.5 Ų40.51%0.00620%0.202CC..  trans-120113.3170.4172.90000107.1H309 Q327 V345 F347 L350 L444 L445 Y446 P447V307-H309 VanDerWaalsContact CG1-O 3.32Å; V307-H309 WeakPolarHBondContact CG1-O 3.21Å; V307-Q327 PolarHBondContact O-NE2 3.37Å; V307-Q327 VanDerWaalsContact O-NE2 3.07Å; V307-V345 HydrophobicContact CG2-CG2 3.5Å; V307-V345 VanDerWaalsContact CG2-CG2 3.5Å; V307-V345 WeakPolarHBondContact CG2-O 3.47Å; V307-F347 HydrophobicContact CG2-CD2 3.74Å; V307-F347 HydrophobicContact CG2-CE2 3.8Å; V307-L350 HydrophobicContact CG1-CD1 3.88Å; V307-L444 HydrophobicContact CB-CD1 4.13Å; V307-L444 HydrophobicContact CG2-CD1 3.54Å; V307-L444 HydrophobicContact CG2-CD2 4.35Å; V307-L445 PolarHBondContact N-O 3.46Å; V307-Y446 HydrophobicContact CB-CD2 3.76Å; V307-Y446 HydrophobicContact CB-CE2 4.22Å; V307-Y446 HydrophobicContact CG1-CD2 3.66Å; V307-Y446 HydrophobicContact CG1-CE2 3.58Å; V307-P447 WeakPolarHBondContact O-CD 3.37Å
308P96.4Very high93.8Very high23 Ų2343.3 Ų43.315%0.14922%0.22CC..  trans-81.7-19.2-173.927.7-32.8000114.3V319 L324 P447P308-V319 WeakPolarHBondContact O-CG2 3.13Å; P308-L324 HydrophobicContact CB-CD2 3.79Å; P308-L324 WeakPolarHBondContact O-CD2 3.3Å; P308-P447 WeakPolarHBondContact O-CG 3.28Å
309H94.3Very high93.8Very high82 Ų8240.6 Ų40.638%0.3821%0.206SC..SBendtrans-157.2166.6-177.262.576.1000113.1V307 G311 V319V307-H309 VanDerWaalsContact CG1-O 3.32Å; V307-H309 WeakPolarHBondContact CG1-O 3.21Å; H309-G311 PolarHBondContact ND1-N 2.9Å; H309-G311 VanDerWaalsContact ND1-N 3.14Å; H309-G311 PolarHBondContact O-N 3.49Å; H309-V319 HydrophobicContact CB-CG2 4.18Å
310D92.6Very high93.7Very high7 Ų740.7 Ų40.74%0.03721%0.21CC..SBendtrans-77.124.4-17671.6-8.8000115.5G312 S313 L350 R351 Y468D310-G312 PolarHBondContact O-N 3Å; D310-G312 WeakPolarHBondContact OD1-CA 3.14Å; D310-G312 PolarHBondContact OD1-N 3.08Å; D310-S313 PolarHBondContact OD1-N 2.68Å; D310-S313 WeakPolarHBondContact OD2-CB 3.48Å; D310-L350 CarbonylContact O-C 3.56Å; D310-L350 WeakPolarHBondContact O-CB 3.38Å; D310-R351 WeakPolarHBondContact O-CA 3.24Å; D310-R351 PolarHBondContact O-N 3.04Å; D310-Y468 HydrophobicContact CB-CE1 3.95Å; D310-Y468 HydrophobicContact CB-CE2 4.01Å; D310-Y468 VanDerWaalsContact CG-OH 3.31Å; D310-Y468 PolarHBondContact N-OH 2.96Å; D310-Y468 PolarHBondContact OD1-OH 3.1Å
311G87.9Confident93.7Very high17 Ų1741.5 Ų41.518%0.17521%0.213CC..SBendtrans68.912.1-172.300000115.5H309 R351H309-G311 PolarHBondContact ND1-N 2.9Å; H309-G311 VanDerWaalsContact ND1-N 3.14Å; H309-G311 PolarHBondContact O-N 3.49Å; G311-R351 PolarHBondContact O-NH1 3.47Å
312G87.4Confident93.7Very high36 Ų3636 Ų3637%0.37119%0.19SC..  trans83.248.1168.400000113.5D310 R351D310-G312 PolarHBondContact O-N 3Å; D310-G312 WeakPolarHBondContact OD1-CA 3.14Å; D310-G312 PolarHBondContact OD1-N 3.08Å; G312-R351 PolarHBondContact O-NH1 2.81Å; G312-R351 PolarHBondContact O-NH2 2.68Å
313S88.6Confident93.6Very high7 Ų735.6 Ų35.65%0.04919%0.188CC..  trans-52137.1175.9176.60000111.3D310 Y315D310-S313 PolarHBondContact OD1-N 2.68Å; D310-S313 WeakPolarHBondContact OD2-CB 3.48Å; S313-Y315 PolarHBondContact O-N 2.89Å; S313-Y315 PolarHBondContact OG-N 3.35Å
314P84.2Confident93.6Very high6 Ų634 Ų344%0.03919%0.186CC..SBendtrans-68.5-21.6173.324.5-27.8000113.2L3 A11 R15L3-P314 HydrophobicContact CD1-CB 4.38Å; L3-P314 HydrophobicContact CD1-CG 4.23Å; A11-P314 HydrophobicContact CB-CB 3.36Å; A11-P314 HydrophobicContact CB-CG 4.13Å; R15-P314 PolarHBondContact NE-O 3.08Å; R15-P314 VanDerWaalsContact NH2-CA 3.35Å; R15-P314 PolarHBondContact NH2-O 2.96Å; R15-P314 VanDerWaalsContact NH2-O 3.15Å
315Y84.4Confident93.6Very high46 Ų4636.5 Ų36.518%0.1820%0.2CC..SBendtrans-94-19.2-170.5-59.8-68.2000113.7F14 S313 F464F14-Y315 AromaticContact CD1-CD1 3.87Å; F14-Y315 HydrophobicContact CD1-CD1 3.87Å; F14-Y315 HydrophobicContact CD1-CE1 4.41Å; F14-Y315 HydrophobicContact CE1-CD1 4.06Å; F14-Y315 HydrophobicContact CG-CD1 4.25Å; F14-Y315 HydrophobicContact CG-CE1 4.4Å; S313-Y315 PolarHBondContact O-N 2.89Å; S313-Y315 PolarHBondContact OG-N 3.35Å; Y315-F464 HydrophobicContact CD1-CD2 4.46Å; Y315-F464 HydrophobicContact CD1-CE2 4.48Å; Y315-F464 HydrophobicContact CG-CD2 4.44Å
316S87.4Confident93.6Very high3 Ų336.6 Ų36.62%0.02120%0.202CC..SBendtrans-105157.3-179.2-510000111.5F464 D465S316-F464 PolarHBondContact OG-O 3.16Å; S316-D465 VanDerWaalsContact CA-OD1 3.24Å; S316-D465 WeakPolarHBondContact CA-OD1 3.36Å
317Y90.4Very high93.6Very high59 Ų5936.6 Ų36.623%0.23120%0.201CC..PPolyproline II helixtrans-68.7149.9170.1-85.7-55.5000111.8P450 R462 D465Y317-P450 VanDerWaalsContact O-CB 3.27Å; Y317-P450 WeakPolarHBondContact O-CB 3.42Å; Y317-R462 HydrophobicContact CD2-CG 4.04Å; Y317-R462 HydrophobicContact CE2-CB 4.24Å; Y317-R462 HydrophobicContact CE2-CG 3.44Å; Y317-R462 VanDerWaalsContact CE2-CG 3.44Å; Y317-R462 VanDerWaalsContact CZ-NE 3.34Å; Y317-R462 PolarHBondContact OH-NE 2.91Å; Y317-D465 WeakPolarHBondContact CD2-OD2 3.29Å; Y317-D465 PolarHBondContact N-OD1 3.25Å
318P93.1Very high93.6Very high95 Ų9541 Ų4162%0.61722%0.221SC*.PPolyproline II helixtrans-59143.5159.7-18.131.4000110S320P318-S320 PolarHBondContact O-N 3.31Å
319V97Very high93.7Very high15 Ų1546 Ų469%0.09124%0.241CC..PPolyproline II helixtrans-60.4132.7174.4-173.10000109.4P308 H309 L323 L324 P447 P450 Y468P308-V319 WeakPolarHBondContact O-CG2 3.13Å; H309-V319 HydrophobicContact CB-CG2 4.18Å; V319-L323 HydrophobicContact CG1-CB 3.81Å; V319-L323 HydrophobicContact CG1-CD1 4.44Å; V319-L324 HydrophobicContact CB-CD2 4.09Å; V319-L324 HydrophobicContact CB-CG 4.21Å; V319-L324 HydrophobicContact CG1-CD2 3.94Å; V319-L324 HydrophobicContact CG1-CG 3.96Å; V319-P447 HydrophobicContact CG1-CB 4.36Å; V319-P447 HydrophobicContact CG1-CG 4.27Å; V319-P447 HydrophobicContact CG2-CB 4.39Å; V319-P447 HydrophobicContact CG2-CG 4.17Å; V319-P450 CarbonylContact C-O 2.88Å; V319-P450 WeakPolarHBondContact CA-O 3.32Å; V319-Y468 HydrophobicContact CG2-CE1 3.81Å; V319-Y468 WeakPolarHBondContact CG2-OH 3.09Å
320S96.9Very high93.9Very high30 Ų3042.1 Ų42.121%0.2122%0.222CC..PPolyproline II helixtrans-63.1147.8178.967.20000110.8P318 E322 L323 L324 P450P318-S320 PolarHBondContact O-N 3.31Å; S320-E322 PolarHBondContact O-N 3.02Å; S320-L323 PolarHBondContact O-N 3.03Å; S320-L323 VanDerWaalsContact O-N 3.12Å; S320-L323 WeakPolarHBondContact OG-CG 3.48Å; S320-L323 PolarHBondContact OG-N 3.16Å; S320-L324 PolarHBondContact O-N 3.31Å; S320-L324 VanDerWaalsContact O-N 3.12Å; S320-P450 PolarHBondContact N-O 3.28Å
321K97.3Very high94.2Very high155 Ų15542.9 Ų42.967%0.67423%0.227SC*.Hα-helixtrans-53.9-43178.1-174.5-172.3171-159.70111.6L323 L324 D325K321-L323 VanDerWaalsContact C-N 3.32Å; K321-L323 PolarHBondContact O-N 3.13Å; K321-L324 WeakPolarHBondContact O-CB 3.33Å; K321-L324 PolarHBondContact O-N 3.49Å; K321-L324 VanDerWaalsContact O-N 3.16Å; K321-D325 WeakPolarHBondContact CE-OD2 3.3Å; K321-D325 WeakPolarHBondContact O-CB 3.26Å; K321-D325 PolarHBondContact O-N 3.32Å
322E97.3Very high94.7Very high43 Ų4347.6 Ų47.620%0.20124%0.243CC..Hα-helixtrans-60.6-37.8-179.8-176.4174.7-14600113.7S320 A326 G487 E488 L493S320-E322 PolarHBondContact O-N 3.02Å; E322-A326 WeakPolarHBondContact O-CB 3.22Å; E322-A326 PolarHBondContact O-N 3.38Å; E322-G487 VanDerWaalsContact OE1-C 3.24Å; E322-G487 WeakPolarHBondContact OE1-CA 3.02Å; E322-E488 PolarHBondContact OE1-N 2.8Å; E322-L493 HydrophobicContact CG-CD1 3.95Å; E322-L493 HydrophobicContact CG-CD2 3.77Å
323L98Very high95.2Very high8 Ų850.4 Ų50.44%0.04224%0.242CC..Hα-helixtrans-72.8-35.9176.1-70.3173.8000111.9F233 V319 S320 K321 A326 Q327 H449 L493F233-L323 HydrophobicContact CE2-CD2 3.99Å; F233-L323 HydrophobicContact CZ-CD1 4.18Å; F233-L323 HydrophobicContact CZ-CD2 3.78Å; V319-L323 HydrophobicContact CG1-CB 3.81Å; V319-L323 HydrophobicContact CG1-CD1 4.44Å; S320-L323 PolarHBondContact O-N 3.03Å; S320-L323 VanDerWaalsContact O-N 3.12Å; S320-L323 WeakPolarHBondContact OG-CG 3.48Å; S320-L323 PolarHBondContact OG-N 3.16Å; K321-L323 VanDerWaalsContact C-N 3.32Å; K321-L323 PolarHBondContact O-N 3.13Å; L323-A326 PolarHBondContact O-N 3.14Å; L323-Q327 PolarHBondContact O-N 2.61Å; L323-H449 VanDerWaalsContact CD1-O 3.31Å; L323-H449 WeakPolarHBondContact CD1-O 3.44Å; L323-L493 HydrophobicContact CD2-CD2 3.84Å
324L98.1Very high95.7Very high62 Ų6250.1 Ų50.133%0.32524%0.24SC..Hα-helixtrans-62.5-47.5171.7-65.3173.1000110.9P308 V319 S320 K321 A326 Q327 E328P308-L324 HydrophobicContact CB-CD2 3.79Å; P308-L324 WeakPolarHBondContact O-CD2 3.3Å; V319-L324 HydrophobicContact CB-CD2 4.09Å; V319-L324 HydrophobicContact CB-CG 4.21Å; V319-L324 HydrophobicContact CG1-CD2 3.94Å; V319-L324 HydrophobicContact CG1-CG 3.96Å; S320-L324 PolarHBondContact O-N 3.31Å; S320-L324 VanDerWaalsContact O-N 3.12Å; K321-L324 WeakPolarHBondContact O-CB 3.33Å; K321-L324 PolarHBondContact O-N 3.49Å; K321-L324 VanDerWaalsContact O-N 3.16Å; L324-A326 VanDerWaalsContact C-N 3.3Å; L324-A326 PolarHBondContact O-N 3.45Å; L324-Q327 PolarHBondContact O-N 2.89Å; L324-E328 WeakPolarHBondContact O-CB 3.24Å; L324-E328 PolarHBondContact O-N 3.49Å
325D98.3Very high96.3Very high57 Ų5753.3 Ų53.331%0.30525%0.254SS..Hα-helixtrans-62.2-38.2177.9-67.1-8.5000110.8K321 E328 K329K321-D325 WeakPolarHBondContact CE-OD2 3.3Å; K321-D325 WeakPolarHBondContact O-CB 3.26Å; K321-D325 PolarHBondContact O-N 3.32Å; D325-E328 PolarHBondContact O-N 3.26Å; D325-K329 VanDerWaalsContact O-CG 3.25Å; D325-K329 WeakPolarHBondContact O-CG 3.31Å; D325-K329 PolarHBondContact O-N 2.65Å
326A98.2Very high97Very high8 Ų854.9 Ų54.97%0.06628%0.277CS..Hα-helixtrans-64.8-45.5174.900000112.1E322 L323 L324 K329 V330 L484 L493E322-A326 WeakPolarHBondContact O-CB 3.22Å; E322-A326 PolarHBondContact O-N 3.38Å; L323-A326 PolarHBondContact O-N 3.14Å; L324-A326 VanDerWaalsContact C-N 3.3Å; L324-A326 PolarHBondContact O-N 3.45Å; A326-K329 WeakPolarHBondContact O-CB 3.29Å; A326-K329 PolarHBondContact O-N 3.35Å; A326-V330 PolarHBondContact O-N 3.26Å; A326-V330 VanDerWaalsContact O-N 3.1Å; A326-L484 HydrophobicContact CB-CD1 4.32Å; A326-L493 HydrophobicContact CB-CD1 4.2Å
327Q98.6Very high97.5Very high9 Ų958.1 Ų58.14%0.04229%0.294CS..Hα-helixtrans-64.2-40.7175.8-176.2167.7-50.700111.4S306 V307 L323 L324 K329 V330 V331S306-Q327 PolarHBondContact OG-NE2 2.92Å; V307-Q327 PolarHBondContact O-NE2 3.37Å; V307-Q327 VanDerWaalsContact O-NE2 3.07Å; L323-Q327 PolarHBondContact O-N 2.61Å; L324-Q327 PolarHBondContact O-N 2.89Å; Q327-K329 VanDerWaalsContact C-N 3.33Å; Q327-K329 PolarHBondContact O-N 3.06Å; Q327-V330 WeakPolarHBondContact O-CB 3.35Å; Q327-V330 PolarHBondContact O-N 3.2Å; Q327-V330 VanDerWaalsContact O-N 3.15Å; Q327-V331 WeakPolarHBondContact O-CG2 3.31Å; Q327-V331 PolarHBondContact O-N 3.47Å
328E98.4Very high97.8Very high92 Ų9256.5 Ų56.543%0.4329%0.289SS..Hα-helixtrans-63-38.8175.6-167.5-170.4171.100111.9L324 D325 V330 V331 K332L324-E328 WeakPolarHBondContact O-CB 3.24Å; L324-E328 PolarHBondContact O-N 3.49Å; D325-E328 PolarHBondContact O-N 3.26Å; E328-V330 VanDerWaalsContact C-N 3.32Å; E328-V330 PolarHBondContact O-N 2.99Å; E328-V331 WeakPolarHBondContact O-CB 3.5Å; E328-V331 PolarHBondContact O-N 3.17Å; E328-K332 VanDerWaalsContact CD-NZ 3.32Å; E328-K332 HydrophobicContact CG-CD 4.45Å; E328-K332 WeakPolarHBondContact O-CG 3.29Å; E328-K332 PolarHBondContact O-N 3.36Å; E328-K332 WeakPolarHBondContact OE1-CE 3.45Å; E328-K332 IonicContact OE1-NZ 3.99Å; E328-K332 PolarHBondContact OE1-NZ 2.88Å; E328-K332 IonicContact OE2-NZ 2.86Å
329K98.4Very high98Very high130 Ų13055.3 Ų55.357%0.56529%0.294SS*.Hα-helixtrans-61.3-40.6172.7-74.7168.5-174.4172.70111.7D325 A326 Q327 R333 F518D325-K329 VanDerWaalsContact O-CG 3.25Å; D325-K329 WeakPolarHBondContact O-CG 3.31Å; D325-K329 PolarHBondContact O-N 2.65Å; A326-K329 WeakPolarHBondContact O-CB 3.29Å; A326-K329 PolarHBondContact O-N 3.35Å; Q327-K329 VanDerWaalsContact C-N 3.33Å; Q327-K329 PolarHBondContact O-N 3.06Å; K329-R333 VanDerWaalsContact O-CB 3.28Å; K329-R333 WeakPolarHBondContact O-CB 3.4Å; K329-R333 PolarHBondContact O-N 3.36Å; K329-F518 HydrophobicContact CB-CE1 4.24Å
330V98.6Very high98Very high0 Ų055.6 Ų55.60%030%0.296CS..Hα-helixtrans-61.2-46.7174.1172.60000110.8A326 Q327 E328 R333 L334 L445 L484 L514 F518A326-V330 PolarHBondContact O-N 3.26Å; A326-V330 VanDerWaalsContact O-N 3.1Å; Q327-V330 WeakPolarHBondContact O-CB 3.35Å; Q327-V330 PolarHBondContact O-N 3.2Å; Q327-V330 VanDerWaalsContact O-N 3.15Å; E328-V330 VanDerWaalsContact C-N 3.32Å; E328-V330 PolarHBondContact O-N 2.99Å; V330-R333 PolarHBondContact O-N 2.84Å; V330-L334 HydrophobicContact CG1-CD1 3.83Å; V330-L334 HydrophobicContact CG1-CG 4.35Å; V330-L334 WeakPolarHBondContact O-CG 3.38Å; V330-L334 PolarHBondContact O-N 2.79Å; V330-L445 HydrophobicContact CG1-CD1 3.74Å; V330-L445 HydrophobicContact CG1-CD2 4.43Å; V330-L484 HydrophobicContact CG2-CD1 3.54Å; V330-L484 HydrophobicContact CG2-CD2 3.64Å; V330-L484 HydrophobicContact CG2-CG 4.25Å; V330-L514 HydrophobicContact CG1-CD2 3.62Å; V330-L514 HydrophobicContact CG2-CD2 4.25Å; V330-F518 HydrophobicContact CB-CZ 4.42Å; V330-F518 HydrophobicContact CG2-CE1 4.49Å; V330-F518 HydrophobicContact CG2-CE2 3.86Å; V330-F518 HydrophobicContact CG2-CZ 3.86Å
331V98.7Very high98.1Very high22 Ų2262.7 Ų62.713%0.13332%0.323CS..Hα-helixtrans-55.9-57.1177168.50000110.8Q327 E328 R333 L334 E335 V342 L445Q327-V331 WeakPolarHBondContact O-CG2 3.31Å; Q327-V331 PolarHBondContact O-N 3.47Å; E328-V331 WeakPolarHBondContact O-CB 3.5Å; E328-V331 PolarHBondContact O-N 3.17Å; V331-R333 PolarHBondContact O-N 3.1Å; V331-L334 PolarHBondContact O-N 2.89Å; V331-L334 VanDerWaalsContact O-N 3.15Å; V331-E335 WeakPolarHBondContact O-CG 3.39Å; V331-E335 PolarHBondContact O-N 3.48Å; V331-V342 HydrophobicContact CG1-CB 3.77Å; V331-V342 HydrophobicContact CG1-CG1 4.23Å; V331-V342 HydrophobicContact CG1-CG2 3.96Å; V331-V342 HydrophobicContact CG2-CB 4.43Å; V331-V342 HydrophobicContact CG2-CG1 4Å; V331-L445 HydrophobicContact CG2-CD1 4.04Å
332K98.6Very high98.1Very high116 Ų11656 Ų5650%0.50430%0.295SS..Hα-helixtrans-55.9-38.7-179.8-72.6174-178.5164.50112.1E328 A336E328-K332 VanDerWaalsContact CD-NZ 3.32Å; E328-K332 HydrophobicContact CG-CD 4.45Å; E328-K332 WeakPolarHBondContact O-CG 3.29Å; E328-K332 PolarHBondContact O-N 3.36Å; E328-K332 WeakPolarHBondContact OE1-CE 3.45Å; E328-K332 IonicContact OE1-NZ 3.99Å; E328-K332 PolarHBondContact OE1-NZ 2.88Å; E328-K332 IonicContact OE2-NZ 2.86Å; K332-A336 VanDerWaalsContact O-CB 3.29Å; K332-A336 WeakPolarHBondContact O-CB 3.25Å; K332-A336 PolarHBondContact O-N 3.42Å
333R98.3Very high98.2Very high96 Ų9659.1 Ų59.136%0.36231%0.31SS..Hα-helixtrans-71.3-41.7-179.3-169.460-175.5-81.5-9.7112.4K329 V330 V331 A336 D337 Y513 A517 F518K329-R333 VanDerWaalsContact O-CB 3.28Å; K329-R333 WeakPolarHBondContact O-CB 3.4Å; K329-R333 PolarHBondContact O-N 3.36Å; V330-R333 PolarHBondContact O-N 2.84Å; V331-R333 PolarHBondContact O-N 3.1Å; R333-A336 PolarHBondContact O-N 3.01Å; R333-D337 IonicContact CZ-OD1 3.78Å; R333-D337 IonicContact CZ-OD2 2.82Å; R333-D337 IonicContact NE-OD1 3.43Å; R333-D337 PolarHBondContact NE-OD1 2.83Å; R333-D337 IonicContact NE-OD2 3.84Å; R333-D337 PolarHBondContact NE-OD2 3.39Å; R333-D337 IonicContact NH2-OD2 3.84Å; R333-D337 PolarHBondContact NH2-OD2 3.44Å; R333-D337 VanDerWaalsContact NH2-OD2 3.08Å; R333-D337 WeakPolarHBondContact O-CB 3.42Å; R333-D337 PolarHBondContact O-N 2.98Å; R333-Y513 PolarHBondContact O-OH 3.48Å; R333-Y513 VanDerWaalsContact O-OH 3.05Å; R333-A517 HydrophobicContact CG-CB 4.26Å; R333-A517 PolarHBondContact NH1-O 2.91Å; R333-F518 HydrophobicContact CB-CE2 4.33Å; R333-F518 HydrophobicContact CB-CZ 3.92Å; R333-F518 HydrophobicContact CG-CE2 4.33Å; R333-F518 HydrophobicContact CG-CZ 4.21Å
334L98.4Very high98.2Very high1 Ų165.6 Ų65.61%0.00534%0.34CS..Hα-helixtrans-58.8-46.9173.7-76.7165.7000111.5F304 V330 V331 A336 L338 V340 V342 L445 Y513F304-L334 HydrophobicContact CD1-CD1 3.95Å; F304-L334 HydrophobicContact CE1-CD1 4.14Å; F304-L334 HydrophobicContact CE1-CD2 4Å; F304-L334 HydrophobicContact CZ-CD2 4.05Å; V330-L334 HydrophobicContact CG1-CD1 3.83Å; V330-L334 HydrophobicContact CG1-CG 4.35Å; V330-L334 WeakPolarHBondContact O-CG 3.38Å; V330-L334 PolarHBondContact O-N 2.79Å; V331-L334 PolarHBondContact O-N 2.89Å; V331-L334 VanDerWaalsContact O-N 3.15Å; L334-A336 PolarHBondContact O-N 2.77Å; L334-L338 HydrophobicContact CD2-CD1 3.71Å; L334-L338 VanDerWaalsContact O-CB 3.26Å; L334-L338 WeakPolarHBondContact O-CB 2.86Å; L334-L338 PolarHBondContact O-N 3.29Å; L334-V340 HydrophobicContact CB-CG2 4.4Å; L334-V342 HydrophobicContact CB-CG2 4.28Å; L334-V342 HydrophobicContact CD1-CG2 4.47Å; L334-L445 HydrophobicContact CD1-CD1 3.99Å; L334-Y513 HydrophobicContact CD2-CD1 3.82Å; L334-Y513 HydrophobicContact CD2-CE1 3.32Å; L334-Y513 HydrophobicContact CG-CE1 3.95Å
335E98.4Very high98.2Very high72 Ų7263.5 Ų63.534%0.33633%0.33SS..Hα-helixtrans-63.9-42.1179.2-60.9-171.113900111.6V331 G339 V340 V342V331-E335 WeakPolarHBondContact O-CG 3.39Å; V331-E335 PolarHBondContact O-N 3.48Å; E335-G339 VanDerWaalsContact O-CA 3.27Å; E335-G339 WeakPolarHBondContact O-CA 3.18Å; E335-G339 PolarHBondContact O-N 3.29Å; E335-V340 WeakPolarHBondContact CA-O 3.41Å; E335-V340 WeakPolarHBondContact CB-O 3.28Å; E335-V340 WeakPolarHBondContact CG-O 3.22Å; E335-V342 HydrophobicContact CG-CB 4.48Å; E335-V342 HydrophobicContact CG-CG2 3.86Å; E335-V342 PolarHBondContact OE1-N 3.16Å
336A98.3Very high98Very high79 Ų7964.7 Ų64.765%0.65334%0.341SS*.Hα-helixtrans-67.2-47.5179.400000113.4K332 R333 L334K332-A336 VanDerWaalsContact O-CB 3.29Å; K332-A336 WeakPolarHBondContact O-CB 3.25Å; K332-A336 PolarHBondContact O-N 3.42Å; R333-A336 PolarHBondContact O-N 3.01Å; L334-A336 PolarHBondContact O-N 2.77Å
337D98.1Very high97.9Very high71 Ų7165 Ų6538%0.3834%0.341SS..Hα-helixtrans-81.1-32.1-173.3-70.910.8000112.2R333 Y513R333-D337 IonicContact CZ-OD1 3.78Å; R333-D337 IonicContact CZ-OD2 2.82Å; R333-D337 IonicContact NE-OD1 3.43Å; R333-D337 PolarHBondContact NE-OD1 2.83Å; R333-D337 IonicContact NE-OD2 3.84Å; R333-D337 PolarHBondContact NE-OD2 3.39Å; R333-D337 IonicContact NH2-OD2 3.84Å; R333-D337 PolarHBondContact NH2-OD2 3.44Å; R333-D337 VanDerWaalsContact NH2-OD2 3.08Å; R333-D337 WeakPolarHBondContact O-CB 3.42Å; R333-D337 PolarHBondContact O-N 2.98Å; D337-Y513 HydrophobicContact CB-CE2 4.08Å; D337-Y513 WeakPolarHBondContact CB-OH 3.43Å; D337-Y513 PolarHBondContact OD2-OH 2.89Å
338L97.6Very high97.7Very high26 Ų2667.9 Ų67.914%0.13636%0.361CS..Hα-helixtrans-106.6-16.7-173.1-53.3179.1000113.9L299 K300 F304 L334 V340 Y513L299-L338 HydrophobicContact CB-CD1 3.74Å; L299-L338 HydrophobicContact CB-CD2 4.15Å; L299-L338 HydrophobicContact CD1-CD1 4.5Å; K300-L338 HydrophobicContact CG-CB 4.34Å; K300-L338 HydrophobicContact CG-CD2 4.37Å; F304-L338 HydrophobicContact CE2-CD1 4.21Å; F304-L338 HydrophobicContact CZ-CD1 4.23Å; L334-L338 HydrophobicContact CD2-CD1 3.71Å; L334-L338 VanDerWaalsContact O-CB 3.26Å; L334-L338 WeakPolarHBondContact O-CB 2.86Å; L334-L338 PolarHBondContact O-N 3.29Å; L338-V340 HydrophobicContact CB-CG1 3.91Å; L338-V340 HydrophobicContact CB-CG2 4.1Å; L338-V340 PolarHBondContact O-N 3.43Å; L338-Y513 HydrophobicContact CD2-CE2 4.34Å; L338-Y513 HydrophobicContact CG-CE2 4.48Å
339G97Very high97.6Very high70 Ų7064.2 Ų64.272%0.72234%0.344SS*.  trans68.517.2-174.100000113.8E335E335-G339 VanDerWaalsContact O-CA 3.27Å; E335-G339 WeakPolarHBondContact O-CA 3.18Å; E335-G339 PolarHBondContact O-N 3.29Å
340V97.1Very high97.5Very high20 Ų2058.1 Ų58.112%0.12132%0.317CS..  trans-82.5163.4174.8-59.70000110.1F304 L334 E335 L338F304-V340 HydrophobicContact CD2-CB 4.09Å; F304-V340 HydrophobicContact CD2-CG1 4.28Å; F304-V340 HydrophobicContact CD2-CG2 3.67Å; F304-V340 HydrophobicContact CE2-CB 4.45Å; F304-V340 HydrophobicContact CE2-CG1 4.19Å; F304-V340 HydrophobicContact CE2-CG2 4Å; L334-V340 HydrophobicContact CB-CG2 4.4Å; E335-V340 WeakPolarHBondContact CA-O 3.41Å; E335-V340 WeakPolarHBondContact CB-O 3.28Å; E335-V340 WeakPolarHBondContact CG-O 3.22Å; L338-V340 HydrophobicContact CB-CG1 3.91Å; L338-V340 HydrophobicContact CB-CG2 4.1Å; L338-V340 PolarHBondContact O-N 3.43Å
341K97.5Very high97.3Very high179 Ų17960.7 Ų60.778%0.77833%0.327SS*.  trans-108.7124.6169.2-176179.1-178.6-179.60108.9
342V98.6Very high97.1Very high14 Ų1460.7 Ų60.79%0.08533%0.325CS..EExtended strand (participates in β ladder)trans-89.5122.2174.4-173.70000108.9F304 V331 L334 E335F304-V342 HydrophobicContact CB-CB 4.25Å; F304-V342 HydrophobicContact CB-CG1 4.07Å; F304-V342 HydrophobicContact CB-CG2 3.8Å; F304-V342 WeakPolarHBondContact O-CA 3.47Å; V331-V342 HydrophobicContact CG1-CB 3.77Å; V331-V342 HydrophobicContact CG1-CG1 4.23Å; V331-V342 HydrophobicContact CG1-CG2 3.96Å; V331-V342 HydrophobicContact CG2-CB 4.43Å; V331-V342 HydrophobicContact CG2-CG1 4Å; L334-V342 HydrophobicContact CB-CG2 4.28Å; L334-V342 HydrophobicContact CD1-CG2 4.47Å; E335-V342 HydrophobicContact CG-CB 4.48Å; E335-V342 HydrophobicContact CG-CG2 3.86Å; E335-V342 PolarHBondContact OE1-N 3.16Å
343Q98.5Very high96.9Very high109 Ų10955.2 Ų55.251%0.50930%0.301SS..EExtended strand (participates in β ladder)trans-92.2118.1178.4-179.1-179.6-7.300110.7F304 F305 S306 V345F304-Q343 PolarHBondContact O-N 2.96Å; F305-Q343 CarbonylContact C-O 3.13Å; F305-Q343 WeakPolarHBondContact CA-O 3.48Å; F305-Q343 HydrophobicContact CD1-CB 3.87Å; F305-Q343 HydrophobicContact CD1-CG 4.4Å; F305-Q343 HydrophobicContact CE1-CB 4.18Å; S306-Q343 PolarHBondContact N-O 2.96Å; Q343-V345 HydrophobicContact CG-CG1 3.9Å; Q343-V345 PolarHBondContact O-N 2.91Å
344E98.3Very high96.7Very high144 Ų14451.9 Ų51.967%0.67329%0.289SS*.EExtended strand (participates in β ladder)trans-69.6130.2167.1-166.5177.9123.500110.1S306S306-E344 WeakPolarHBondContact O-CA 3.37Å
345V97.6Very high96.4Very high19 Ų1953.9 Ų53.912%0.11530%0.299CS..  trans-130.8154.8180-610000110.2F305 S306 V307 Q343 F347 L437 L444F305-V345 HydrophobicContact CB-CG2 4.25Å; F305-V345 HydrophobicContact CD1-CG1 3.99Å; S306-V345 PolarHBondContact O-N 2.88Å; V307-V345 HydrophobicContact CG2-CG2 3.5Å; V307-V345 VanDerWaalsContact CG2-CG2 3.5Å; V307-V345 WeakPolarHBondContact CG2-O 3.47Å; Q343-V345 HydrophobicContact CG-CG1 3.9Å; Q343-V345 PolarHBondContact O-N 2.91Å; V345-F347 HydrophobicContact CB-CE2 4.46Å; V345-F347 HydrophobicContact CG2-CD2 4.41Å; V345-F347 HydrophobicContact CG2-CE2 3.64Å; V345-F347 HydrophobicContact CG2-CZ 4.13Å; V345-L437 HydrophobicContact CG1-CD1 4.46Å; V345-L437 HydrophobicContact CG2-CD2 4.04Å; V345-L444 HydrophobicContact CG2-CD1 4.33Å
346C95.3Very high96.2Very high82 Ų8250.5 Ų50.555%0.55428%0.283SS*.  trans-130.5132-179.3-1790000110.4
347F96.4Very high96.1Very high14 Ų1448.3 Ų48.36%0.06126%0.257CS..  trans-119.396.4177.2-62.7-72.8000109.5V307 V345 E349 L350 L430 K433 M434 L437V307-F347 HydrophobicContact CG2-CD2 3.74Å; V307-F347 HydrophobicContact CG2-CE2 3.8Å; V345-F347 HydrophobicContact CB-CE2 4.46Å; V345-F347 HydrophobicContact CG2-CD2 4.41Å; V345-F347 HydrophobicContact CG2-CE2 3.64Å; V345-F347 HydrophobicContact CG2-CZ 4.13Å; F347-E349 PolarHBondContact O-N 2.77Å; F347-E349 VanDerWaalsContact O-N 3.08Å; F347-L350 HydrophobicContact CB-CD1 3.79Å; F347-L350 HydrophobicContact CB-CG 3.79Å; F347-L350 HydrophobicContact CD2-CD1 4.22Å; F347-L350 HydrophobicContact CG-CD1 4.48Å; F347-L350 WeakPolarHBondContact O-CB 3.42Å; F347-L350 PolarHBondContact O-N 2.93Å; F347-L430 HydrophobicContact CB-CD1 3.91Å; F347-L430 HydrophobicContact CD1-CD1 4.08Å; F347-L430 HydrophobicContact CG-CD1 4.01Å; F347-K433 HydrophobicContact CD1-CB 4.33Å; F347-K433 HydrophobicContact CD1-CD 4.2Å; F347-K433 HydrophobicContact CE1-CB 3.84Å; F347-K433 HydrophobicContact CE1-CD 4.36Å; F347-M434 HydrophobicContact CD2-CE 3.41Å; F347-M434 VanDerWaalsContact CD2-CE 3.41Å; F347-M434 HydrophobicContact CD2-SD 4.36Å; F347-M434 HydrophobicContact CE2-CE 3.38Å; F347-M434 HydrophobicContact CE2-SD 3.74Å; F347-M434 HydrophobicContact CG-CE 3.99Å; F347-M434 HydrophobicContact CZ-CE 3.95Å; F347-M434 HydrophobicContact CZ-SD 3.81Å; F347-L437 HydrophobicContact CE2-CD2 4.17Å; F347-L437 HydrophobicContact CZ-CD2 3.7Å
348P93.9Very high95.8Very high70 Ų7046.1 Ų46.146%0.45525%0.246SC..G310 helixtrans-55.9-25.3177.2-26.635.5000113.7L350 R351P348-L350 VanDerWaalsContact C-N 3.26Å; P348-L350 PolarHBondContact O-N 3.22Å; P348-R351 VanDerWaalsContact O-CB 3.26Å; P348-R351 WeakPolarHBondContact O-CB 3.47Å; P348-R351 PolarHBondContact O-N 2.72Å
349E95.9Very high95.5Very high15 Ų1545.7 Ų45.77%0.0725%0.245CC..G310 helixtrans-62.8-29.3176.9-61.276.4-173.400113F347 R351 Y352 A429 L430 K433F347-E349 PolarHBondContact O-N 2.77Å; F347-E349 VanDerWaalsContact O-N 3.08Å; E349-R351 PolarHBondContact O-N 3.2Å; E349-Y352 PolarHBondContact O-N 3.12Å; E349-A429 HydrophobicContact CG-CB 4.34Å; E349-L430 HydrophobicContact CB-CB 3.77Å; E349-L430 HydrophobicContact CB-CD1 4.2Å; E349-L430 HydrophobicContact CB-CD2 4.28Å; E349-L430 HydrophobicContact CB-CG 4.3Å; E349-L430 HydrophobicContact CG-CB 4.13Å; E349-K433 IonicContact OE1-NZ 2.67Å; E349-K433 PolarHBondContact OE1-NZ 2.84Å; E349-K433 IonicContact OE2-NZ 2.67Å
350L96.4Very high95.3Very high2 Ų243.4 Ų43.41%0.0121%0.214CC..G310 helixtrans-60.1-20178.1-70173.4000112.7V307 D310 F347 P348 Y352 S353 L430 Y446 I471V307-L350 HydrophobicContact CG1-CD1 3.88Å; D310-L350 CarbonylContact O-C 3.56Å; D310-L350 WeakPolarHBondContact O-CB 3.38Å; F347-L350 HydrophobicContact CB-CD1 3.79Å; F347-L350 HydrophobicContact CB-CG 3.79Å; F347-L350 HydrophobicContact CD2-CD1 4.22Å; F347-L350 HydrophobicContact CG-CD1 4.48Å; F347-L350 WeakPolarHBondContact O-CB 3.42Å; F347-L350 PolarHBondContact O-N 2.93Å; P348-L350 VanDerWaalsContact C-N 3.26Å; P348-L350 PolarHBondContact O-N 3.22Å; L350-Y352 PolarHBondContact O-N 2.71Å; L350-Y352 VanDerWaalsContact O-N 3.09Å; L350-S353 VanDerWaalsContact O-CB 3.23Å; L350-S353 WeakPolarHBondContact O-CB 3.09Å; L350-S353 PolarHBondContact O-N 3.45Å; L350-S353 PolarHBondContact O-OG 3.32Å; L350-L430 HydrophobicContact CD2-CD1 4.3Å; L350-L430 HydrophobicContact CD2-CD2 3.83Å; L350-L430 HydrophobicContact CG-CD1 4.39Å; L350-L430 HydrophobicContact CG-CD2 4.49Å; L350-Y446 HydrophobicContact CD1-CE2 4.03Å; L350-I471 HydrophobicContact CD2-CG1 4.07Å; L350-I471 HydrophobicContact CD2-CG2 3.97Å
351R94.1Very high95Very high54 Ų5443 Ų4320%0.20421%0.211CC..G310 helixtrans-58.5-25.7174.9-170.1-168.1-177.589.411.1112.2D310 G311 G312 P348 E349D310-R351 WeakPolarHBondContact O-CA 3.24Å; D310-R351 PolarHBondContact O-N 3.04Å; G311-R351 PolarHBondContact O-NH1 3.47Å; G312-R351 PolarHBondContact O-NH1 2.81Å; G312-R351 PolarHBondContact O-NH2 2.68Å; P348-R351 VanDerWaalsContact O-CB 3.26Å; P348-R351 WeakPolarHBondContact O-CB 3.47Å; P348-R351 PolarHBondContact O-N 2.72Å; E349-R351 PolarHBondContact O-N 3.2Å
352Y94.1Very high94.7Very high22 Ų2237.7 Ų37.79%0.08620%0.197CC..G310 helixtrans-101.114.5-177.7-55.1-76.6000112.7E349 L350 F354 Q355 I356 F422 I423 Q426E349-Y352 PolarHBondContact O-N 3.12Å; L350-Y352 PolarHBondContact O-N 2.71Å; L350-Y352 VanDerWaalsContact O-N 3.09Å; Y352-F354 VanDerWaalsContact C-N 3.3Å; Y352-F354 PolarHBondContact O-N 3.31Å; Y352-Q355 PolarHBondContact O-N 2.95Å; Y352-Q355 VanDerWaalsContact O-N 3.1Å; Y352-Q355 PolarHBondContact O-OE1 3.47Å; Y352-I356 VanDerWaalsContact O-CG1 3.31Å; Y352-I356 WeakPolarHBondContact O-CG1 3.31Å; Y352-I356 PolarHBondContact O-N 2.97Å; Y352-F422 HydrophobicContact CD1-CE1 4.12Å; Y352-F422 AromaticContact CE1-CE1 3.64Å; Y352-F422 HydrophobicContact CE1-CE1 3.64Å; Y352-F422 HydrophobicContact CE1-CZ 4.17Å; Y352-F422 HydrophobicContact CE2-CE1 4.08Å; Y352-F422 AromaticContact CE2-CZ 3.92Å; Y352-F422 HydrophobicContact CE2-CZ 3.92Å; Y352-F422 AromaticContact CZ-CE1 3.61Å; Y352-F422 AromaticContact CZ-CZ 3.63Å; Y352-I423 HydrophobicContact CD1-CD1 4.02Å; Y352-I423 HydrophobicContact CG-CD1 4.3Å; Y352-Q426 HydrophobicContact CD2-CB 4.39Å; Y352-Q426 HydrophobicContact CD2-CG 3.96Å; Y352-Q426 HydrophobicContact CE2-CG 4.23Å
353S95.6Very high94.3Very high1 Ų139.2 Ų39.21%0.00720%0.204CC..Hα-helixtrans-52.6-43.6-173.9-71.80000113.6L350 W357 I471L350-S353 VanDerWaalsContact O-CB 3.23Å; L350-S353 WeakPolarHBondContact O-CB 3.09Å; L350-S353 PolarHBondContact O-N 3.45Å; L350-S353 PolarHBondContact O-OG 3.32Å; S353-W357 WeakPolarHBondContact O-CB 3.47Å; S353-W357 PolarHBondContact O-N 2.91Å; S353-I471 WeakPolarHBondContact OG-CB 3.43Å
354F92.8Very high93.9Very high25 Ų2536.8 Ų36.811%0.1120%0.198CC..Hα-helixtrans-65.4-47.4177.7170.1-107.5000111.9Y352 I356 W357 D358 F464 F466 A467Y352-F354 VanDerWaalsContact C-N 3.3Å; Y352-F354 PolarHBondContact O-N 3.31Å; F354-I356 VanDerWaalsContact C-N 3.32Å; F354-I356 PolarHBondContact O-N 2.77Å; F354-W357 PolarHBondContact O-N 2.87Å; F354-D358 HydrophobicContact CZ-CB 4.3Å; F354-D358 WeakPolarHBondContact O-CB 3.38Å; F354-D358 PolarHBondContact O-N 3.21Å; F354-F464 AromaticContact CD1-CD1 3.92Å; F354-F464 HydrophobicContact CD1-CD1 3.92Å; F354-F464 HydrophobicContact CD1-CE1 4.13Å; F354-F464 HydrophobicContact CD1-CG 4.48Å; F354-F464 AromaticContact CD2-CD1 3.5Å; F354-F464 HydrophobicContact CD2-CD1 3.5Å; F354-F464 HydrophobicContact CD2-CE1 4.11Å; F354-F464 HydrophobicContact CD2-CG 4.37Å; F354-F464 AromaticContact CE1-CD1 3.84Å; F354-F464 HydrophobicContact CE1-CD1 3.84Å; F354-F464 AromaticContact CE1-CE1 3.58Å; F354-F464 HydrophobicContact CE1-CE1 3.58Å; F354-F464 HydrophobicContact CE1-CZ 4.27Å; F354-F464 AromaticContact CE2-CD1 3.41Å; F354-F464 HydrophobicContact CE2-CD1 3.41Å; F354-F464 VanDerWaalsContact CE2-CD1 3.41Å; F354-F464 AromaticContact CE2-CE1 3.57Å; F354-F464 HydrophobicContact CE2-CE1 3.57Å; F354-F464 HydrophobicContact CG-CB 4.46Å; F354-F464 AromaticContact CG-CD1 3.77Å; F354-F464 HydrophobicContact CG-CD1 3.77Å; F354-F464 HydrophobicContact CG-CE1 4.38Å; F354-F464 HydrophobicContact CG-CG 4.32Å; F354-F464 AromaticContact CZ-CD1 3.6Å; F354-F464 HydrophobicContact CZ-CD1 3.6Å; F354-F464 AromaticContact CZ-CE1 3.28Å; F354-F464 HydrophobicContact CZ-CE1 3.28Å; F354-F464 HydrophobicContact CZ-CZ 4.28Å; F354-F466 AromaticContact CD2-CE1 3.94Å; F354-F466 HydrophobicContact CD2-CE1 3.94Å; F354-F466 AromaticContact CD2-CZ 3.74Å; F354-F466 HydrophobicContact CD2-CZ 3.74Å; F354-F466 HydrophobicContact CE2-CE1 4.16Å; F354-F466 AromaticContact CE2-CZ 3.97Å; F354-F466 HydrophobicContact CE2-CZ 3.97Å; F354-A467 HydrophobicContact CB-CB 4.16Å
355Q92.4Very high93.5Very high44 Ų4431.8 Ų31.821%0.20618%0.176CC..Hα-helixtrans-65.2-37.9-179.2-64.188-21.600111.9Y352 T359 I423Y352-Q355 PolarHBondContact O-N 2.95Å; Y352-Q355 VanDerWaalsContact O-N 3.1Å; Y352-Q355 PolarHBondContact O-OE1 3.47Å; Q355-T359 VanDerWaalsContact O-CB 3.27Å; Q355-T359 WeakPolarHBondContact O-CB 3.14Å; Q355-T359 PolarHBondContact O-N 3.14Å; Q355-T359 PolarHBondContact O-OG1 3.46Å; Q355-I423 HydrophobicContact CB-CD1 3.75Å; Q355-I423 HydrophobicContact CB-CG1 4.24Å; Q355-I423 HydrophobicContact CB-CG2 4.33Å; Q355-I423 HydrophobicContact CG-CD1 4.39Å
356I95Very high93.1Very high0 Ų039.8 Ų39.80%021%0.212CC..Hα-helixtrans-61.2-49.8172.6-68.7168.3000109.2Y352 F354 T359 Y360 I423 Q426 K427 I471 I474Y352-I356 VanDerWaalsContact O-CG1 3.31Å; Y352-I356 WeakPolarHBondContact O-CG1 3.31Å; Y352-I356 PolarHBondContact O-N 2.97Å; F354-I356 VanDerWaalsContact C-N 3.32Å; F354-I356 PolarHBondContact O-N 2.77Å; I356-T359 PolarHBondContact O-N 3.08Å; I356-Y360 HydrophobicContact CG2-CD2 4.11Å; I356-Y360 HydrophobicContact CG2-CE2 4.41Å; I356-Y360 VanDerWaalsContact O-CD2 3.32Å; I356-Y360 WeakPolarHBondContact O-CD2 3.08Å; I356-Y360 PolarHBondContact O-N 2.91Å; I356-I423 HydrophobicContact CB-CG2 4.43Å; I356-I423 HydrophobicContact CG1-CG2 3.82Å; I356-Q426 HydrophobicContact CD1-CB 4.39Å; I356-K427 HydrophobicContact CD1-CB 4.19Å; I356-K427 HydrophobicContact CG1-CB 4.14Å; I356-K427 HydrophobicContact CG2-CB 3.8Å; I356-K427 HydrophobicContact CG2-CG 3.55Å; I356-I471 HydrophobicContact CB-CD1 4.01Å; I356-I471 HydrophobicContact CD1-CD1 4Å; I356-I471 HydrophobicContact CG2-CD1 3.61Å; I356-I474 HydrophobicContact CG2-CB 4.43Å; I356-I474 HydrophobicContact CG2-CG2 3.86Å
357W95Very high92.8Very high33 Ų3344.3 Ų44.313%0.12523%0.225CC..Hα-helixtrans-58.5-51.3177.9-175.191.9000112.4I224 S353 F354 T359 Y360 M361 F466 I474I224-W357 PolarHBondContact O-NE1 3.12Å; S353-W357 WeakPolarHBondContact O-CB 3.47Å; S353-W357 PolarHBondContact O-N 2.91Å; F354-W357 PolarHBondContact O-N 2.87Å; W357-T359 VanDerWaalsContact C-N 3.32Å; W357-T359 PolarHBondContact O-N 3.25Å; W357-Y360 PolarHBondContact O-N 3.18Å; W357-M361 HydrophobicContact CD2-CG 3.7Å; W357-M361 VanDerWaalsContact CE2-CG 3.46Å; W357-M361 HydrophobicContact CE3-CG 4.05Å; W357-M361 HydrophobicContact CG-CG 4.25Å; W357-M361 HydrophobicContact CH2-CB 4.47Å; W357-M361 HydrophobicContact CH2-CE 4.45Å; W357-M361 HydrophobicContact CH2-CG 3.97Å; W357-M361 HydrophobicContact CZ2-CE 4.06Å; W357-M361 HydrophobicContact CZ2-CG 3.63Å; W357-M361 HydrophobicContact CZ2-SD 4.2Å; W357-M361 HydrophobicContact CZ3-CB 4.43Å; W357-M361 HydrophobicContact CZ3-CG 4.16Å; W357-M361 VanDerWaalsContact O-CB 3.28Å; W357-M361 WeakPolarHBondContact O-CB 3.29Å; W357-M361 WeakPolarHBondContact O-CG 3.33Å; W357-M361 PolarHBondContact O-N 2.87Å; W357-F466 AromaticContact CD2-CE2 3.66Å; W357-F466 HydrophobicContact CD2-CE2 3.66Å; W357-F466 HydrophobicContact CD2-CZ 4.08Å; W357-F466 AromaticContact CE2-CE2 3.84Å; W357-F466 AromaticContact CE3-CE2 3.88Å; W357-F466 HydrophobicContact CE3-CE2 3.88Å; W357-F466 AromaticContact CE3-CZ 3.79Å; W357-F466 HydrophobicContact CE3-CZ 3.79Å; W357-F466 HydrophobicContact CG-CE2 4.08Å; W357-F466 HydrophobicContact CH2-CE2 4.43Å; W357-F466 HydrophobicContact CH2-CZ 4.48Å; W357-F466 HydrophobicContact CZ2-CE2 4.22Å; W357-F466 HydrophobicContact CZ3-CE2 4.27Å; W357-F466 HydrophobicContact CZ3-CZ 4.03Å; W357-I474 HydrophobicContact CB-CG1 4.21Å; W357-I474 HydrophobicContact CG-CD1 4.43Å; W357-I474 HydrophobicContact CG-CG1 4.34Å
358D91.9Very high92.3Very high25 Ų2546 Ų4613%0.13425%0.246CC..Hα-helixtrans-54.7-48.5177.8-174.970000111.1F354 Y360 M361 S362 H415F354-D358 HydrophobicContact CZ-CB 4.3Å; F354-D358 WeakPolarHBondContact O-CB 3.38Å; F354-D358 PolarHBondContact O-N 3.21Å; D358-Y360 PolarHBondContact O-N 3.4Å; D358-M361 PolarHBondContact O-N 3.24Å; D358-S362 PolarHBondContact O-N 3.15Å; D358-S362 PolarHBondContact O-OG 3.08Å; D358-H415 IonicContact OD2-CE1 3.75Å; D358-H415 IonicContact OD2-ND1 3.82Å; D358-H415 PolarHBondContact OD2-ND1 3.14Å; D358-H415 VanDerWaalsContact OD2-ND1 3.1Å
359T91.9Very high92Very high18 Ų1848.7 Ų48.711%0.1125%0.251CS..Hα-helixtrans-58.7-51.8-179.9-62.20000112Q355 I356 W357 S362 L363 P419Q355-T359 VanDerWaalsContact O-CB 3.27Å; Q355-T359 WeakPolarHBondContact O-CB 3.14Å; Q355-T359 PolarHBondContact O-N 3.14Å; Q355-T359 PolarHBondContact O-OG1 3.46Å; I356-T359 PolarHBondContact O-N 3.08Å; W357-T359 VanDerWaalsContact C-N 3.32Å; W357-T359 PolarHBondContact O-N 3.25Å; T359-S362 PolarHBondContact O-N 2.93Å; T359-L363 WeakPolarHBondContact O-CG 2.87Å; T359-P419 HydrophobicContact CG2-CB 3.51Å
360Y92.9Very high91.6Very high22 Ų2252.2 Ų52.29%0.08628%0.275CS..Hα-helixtrans-74.9-26.6-174.5-81.6-95.7000112.6T259 Y263 I356 W357 D358 S362 L363 K427 I474T259-Y360 PolarHBondContact OG1-O 2.78Å; Y263-Y360 WeakPolarHBondContact OH-CD1 3.3Å; I356-Y360 HydrophobicContact CG2-CD2 4.11Å; I356-Y360 HydrophobicContact CG2-CE2 4.41Å; I356-Y360 VanDerWaalsContact O-CD2 3.32Å; I356-Y360 WeakPolarHBondContact O-CD2 3.08Å; I356-Y360 PolarHBondContact O-N 2.91Å; W357-Y360 PolarHBondContact O-N 3.18Å; D358-Y360 PolarHBondContact O-N 3.4Å; Y360-S362 VanDerWaalsContact C-N 3.26Å; Y360-S362 PolarHBondContact O-N 2.85Å; Y360-L363 HydrophobicContact CD1-CD1 3.7Å; Y360-L363 HydrophobicContact CE1-CD1 4.02Å; Y360-L363 HydrophobicContact CG-CD1 4.2Å; Y360-K427 HydrophobicContact CD2-CG 4.19Å; Y360-K427 HydrophobicContact CE1-CD 4.22Å; Y360-K427 HydrophobicContact CE2-CB 3.73Å; Y360-K427 HydrophobicContact CE2-CD 3.91Å; Y360-K427 HydrophobicContact CE2-CG 3.5Å; Y360-K427 WeakPolarHBondContact OH-CD 3.43Å; Y360-I474 HydrophobicContact CD1-CG2 4.31Å; Y360-I474 HydrophobicContact CD2-CG2 4.05Å; Y360-I474 HydrophobicContact CG-CG2 3.83Å
361M91.6Very high91.2Very high10 Ų1053.3 Ų53.35%0.04928%0.282CS..Hα-helixtrans-72-19.5174.1-74.9-60.3-61.800114.1I224 Q260 Y263 W357 D358 I474I224-M361 HydrophobicContact CD1-CE 3.41Å; I224-M361 VanDerWaalsContact CD1-CE 3.41Å; I224-M361 HydrophobicContact CD1-SD 3.87Å; I224-M361 HydrophobicContact CG1-CE 3.83Å; I224-M361 HydrophobicContact CG1-SD 3.82Å; Q260-M361 HydrophobicContact CB-CE 4.34Å; Q260-M361 HydrophobicContact CG-CE 3.58Å; Q260-M361 HydrophobicContact CG-SD 4.22Å; Y263-M361 HydrophobicContact CD2-SD 4.48Å; W357-M361 HydrophobicContact CD2-CG 3.7Å; W357-M361 VanDerWaalsContact CE2-CG 3.46Å; W357-M361 HydrophobicContact CE3-CG 4.05Å; W357-M361 HydrophobicContact CG-CG 4.25Å; W357-M361 HydrophobicContact CH2-CB 4.47Å; W357-M361 HydrophobicContact CH2-CE 4.45Å; W357-M361 HydrophobicContact CH2-CG 3.97Å; W357-M361 HydrophobicContact CZ2-CE 4.06Å; W357-M361 HydrophobicContact CZ2-CG 3.63Å; W357-M361 HydrophobicContact CZ2-SD 4.2Å; W357-M361 HydrophobicContact CZ3-CB 4.43Å; W357-M361 HydrophobicContact CZ3-CG 4.16Å; W357-M361 VanDerWaalsContact O-CB 3.28Å; W357-M361 WeakPolarHBondContact O-CB 3.29Å; W357-M361 WeakPolarHBondContact O-CG 3.33Å; W357-M361 PolarHBondContact O-N 2.87Å; D358-M361 PolarHBondContact O-N 3.24Å; M361-I474 HydrophobicContact CG-CD1 4.47Å
362S89.8Confident90.9Very high69 Ų6953.5 Ų53.548%0.48329%0.287SS..THydrogen-bonded Turntrans-99.8-1179.5-60.90000114D358 T359 Y360D358-S362 PolarHBondContact O-N 3.15Å; D358-S362 PolarHBondContact O-OG 3.08Å; T359-S362 PolarHBondContact O-N 2.93Å; Y360-S362 VanDerWaalsContact C-N 3.26Å; Y360-S362 PolarHBondContact O-N 2.85Å
363L90.3Very high90.6Very high45 Ų4554 Ų5424%0.23630%0.295CS..  trans-71.3138.9-179-69.7177.6000111.7T259 T359 Y360 P371 P419T259-L363 HydrophobicContact CG2-CB 3.89Å; T259-L363 PolarHBondContact N-O 3.04Å; T259-L363 PolarHBondContact OG1-O 3.06Å; T359-L363 WeakPolarHBondContact O-CG 2.87Å; Y360-L363 HydrophobicContact CD1-CD1 3.7Å; Y360-L363 HydrophobicContact CE1-CD1 4.02Å; Y360-L363 HydrophobicContact CG-CD1 4.2Å; L363-P371 WeakPolarHBondContact O-CG 3.27Å; L363-P419 HydrophobicContact CD2-CB 4.46Å; L363-P419 HydrophobicContact CD2-CG 4.29Å
364P90.4Very high90.2Very high58 Ų5854.5 Ų54.538%0.37730%0.297SS..  trans-67.1158.2173.831.8-35.9000111.2T259 K369T259-P364 VanDerWaalsContact CG2-O 3.26Å; T259-P364 WeakPolarHBondContact CG2-O 3.27Å; P364-K369 CarbonylContact C-O 3.54Å; P364-K369 WeakPolarHBondContact CA-O 3.5Å; P364-K369 VanDerWaalsContact CB-O 3.3Å; P364-K369 WeakPolarHBondContact CB-O 3.23Å
365D90.2Very high90Very high39 Ų3953.4 Ų53.421%0.20929%0.293CS..  trans-69.1-179.4173.959.426.5000112.9E367 G368 K369D365-E367 PolarHBondContact O-N 3.09Å; D365-E367 VanDerWaalsContact O-N 3.14Å; D365-E367 PolarHBondContact OD1-N 2.61Å; D365-E367 VanDerWaalsContact OD1-N 3.11Å; D365-G368 PolarHBondContact O-N 3.03Å; D365-G368 PolarHBondContact OD1-N 3.4Å; D365-G368 VanDerWaalsContact OD1-N 3.16Å; D365-K369 PolarHBondContact N-O 3.3Å; D365-K369 WeakPolarHBondContact OD1-CB 3.27Å; D365-K369 PolarHBondContact OD1-N 3.01Å; D365-K369 WeakPolarHBondContact OD2-CB 3.35Å
366E88.4Confident89.8Confident187 Ų18756.1 Ų56.187%0.87431%0.306SS*.THydrogen-bonded Turntrans-57.7-25.2179.5-60.8-175.3174.500113.2G368E366-G368 VanDerWaalsContact C-N 3.32Å
367E89.3Confident89.5Confident178 Ų17857.3 Ų57.383%0.83231%0.312SS*.THydrogen-bonded Turntrans-88.9-0.9178.3-61.9173.5-176.500112.4D365 K369D365-E367 PolarHBondContact O-N 3.09Å; D365-E367 VanDerWaalsContact O-N 3.14Å; D365-E367 PolarHBondContact OD1-N 2.61Å; D365-E367 VanDerWaalsContact OD1-N 3.11Å; E367-K369 VanDerWaalsContact C-N 3.34Å
368G86.9Confident89.3Confident49 Ų4955.8 Ų55.851%0.50531%0.307SS..  trans81.310.6-179.500000114D365 E366D365-G368 PolarHBondContact O-N 3.03Å; D365-G368 PolarHBondContact OD1-N 3.4Å; D365-G368 VanDerWaalsContact OD1-N 3.16Å; E366-G368 VanDerWaalsContact C-N 3.32Å
369K87.2Confident88.8Confident127 Ų12755.2 Ų55.255%0.55231%0.306SS*.PPolyproline II helixtrans-80.7126.8178.8-175.6-174.8178.7-177.60109.9P364 D365 E367P364-K369 CarbonylContact C-O 3.54Å; P364-K369 WeakPolarHBondContact CA-O 3.5Å; P364-K369 VanDerWaalsContact CB-O 3.3Å; P364-K369 WeakPolarHBondContact CB-O 3.23Å; D365-K369 PolarHBondContact N-O 3.3Å; D365-K369 WeakPolarHBondContact OD1-CB 3.27Å; D365-K369 PolarHBondContact OD1-N 3.01Å; D365-K369 WeakPolarHBondContact OD2-CB 3.35Å; E367-K369 VanDerWaalsContact C-N 3.34Å
370P87.3Confident88.2Confident88 Ų8859.2 Ų59.257%0.57132%0.324SS*.PPolyproline II helixtrans-68.6158.2-179.729.5-35.3000111.6
371P87.9Confident87.2Confident25 Ų2564.5 Ų64.516%0.16236%0.361CS..PPolyproline II helixtrans-55.4149.7168-22.833.4000111.9S257 L363 A373S257-P371 WeakPolarHBondContact OG-CA 3.15Å; L363-P371 WeakPolarHBondContact O-CG 3.27Å; P371-A373 PolarHBondContact O-N 3.35Å
372L87.9Confident86.3Confident58 Ų5868 Ų6830%0.30440%0.399SS..PPolyproline II helixtrans-63.2127.6171.9-70172.4000108.9P255 S257 L377P255-L372 HydrophobicContact CG-CD1 4.31Å; S257-L372 PolarHBondContact OG-N 2.8Å; L372-L377 HydrophobicContact CD1-CD2 4.32Å
373A87.8Confident85.9Confident33 Ų3373.1 Ų73.127%0.27341%0.408SS..PPolyproline II helixtrans-65.7139.5179.500000110.4P371 A375 E376 L377 E412P371-A373 PolarHBondContact O-N 3.35Å; A373-A375 PolarHBondContact O-N 2.95Å; A373-E376 HydrophobicContact CB-CG 4.11Å; A373-E376 WeakPolarHBondContact O-CA 3.15Å; A373-E376 WeakPolarHBondContact O-CB 3.1Å; A373-E376 PolarHBondContact O-N 2.9Å; A373-L377 PolarHBondContact O-N 3.24Å; A373-E412 WeakPolarHBondContact CA-OE1 3.44Å
374F88.1Confident85.6Confident11 Ų1174.6 Ų74.65%0.04842%0.42CS..Hα-helixtrans-55.7-37.8177.4-170.3-105.5000112L176 M178 E376 L377 M378 A405 L408 A409 E412L176-F374 HydrophobicContact CB-CE2 3.58Å; L176-F374 HydrophobicContact CB-CZ 4.02Å; L176-F374 HydrophobicContact CD1-CD2 4.11Å; L176-F374 HydrophobicContact CD1-CE1 4.47Å; L176-F374 HydrophobicContact CD1-CE2 3.52Å; L176-F374 HydrophobicContact CD1-CZ 3.73Å; L176-F374 HydrophobicContact CG-CE2 4.23Å; M178-F374 HydrophobicContact CB-CD2 4.36Å; M178-F374 HydrophobicContact CB-CE2 3.59Å; M178-F374 HydrophobicContact CB-CZ 4.13Å; M178-F374 HydrophobicContact CG-CD2 4.17Å; M178-F374 HydrophobicContact CG-CE2 3.74Å; F374-E376 VanDerWaalsContact C-N 3.26Å; F374-E376 PolarHBondContact O-N 3.3Å; F374-L377 PolarHBondContact O-N 3.15Å; F374-L377 VanDerWaalsContact O-N 3.16Å; F374-M378 HydrophobicContact CD1-CG 3.97Å; F374-M378 HydrophobicContact CD1-SD 3.58Å; F374-M378 VanDerWaalsContact CD1-SD 3.58Å; F374-M378 HydrophobicContact CE1-CG 3.68Å; F374-M378 HydrophobicContact CE1-SD 3.39Å; F374-M378 WeakPolarHBondContact CE1-SD 3.07Å; F374-M378 HydrophobicContact CZ-CG 4.19Å; F374-M378 HydrophobicContact CZ-SD 4.4Å; F374-M378 WeakPolarHBondContact O-CG 3.5Å; F374-M378 PolarHBondContact O-N 3.01Å; F374-A405 HydrophobicContact CE1-CB 3.9Å; F374-A405 WeakPolarHBondContact CE1-O 3.31Å; F374-A405 HydrophobicContact CZ-CB 4.15Å; F374-L408 HydrophobicContact CD1-CB 4.18Å; F374-L408 HydrophobicContact CD1-CD2 3.91Å; F374-L408 HydrophobicContact CD1-CG 3.94Å; F374-L408 HydrophobicContact CD2-CD2 3.94Å; F374-L408 HydrophobicContact CE1-CB 4.19Å; F374-L408 HydrophobicContact CE1-CD2 3.88Å; F374-L408 HydrophobicContact CE1-CG 4.23Å; F374-L408 HydrophobicContact CE2-CD2 3.91Å; F374-L408 HydrophobicContact CG-CD2 3.94Å; F374-L408 HydrophobicContact CG-CG 4.18Å; F374-L408 HydrophobicContact CZ-CD2 3.89Å; F374-A409 HydrophobicContact CD1-CB 4.07Å; F374-E412 WeakPolarHBondContact CA-OE2 3.41Å; F374-E412 WeakPolarHBondContact CB-OE2 3.2Å; F374-E412 VanDerWaalsContact N-CD 3.29Å; F374-E412 PolarHBondContact N-OE1 2.96Å; F374-E412 PolarHBondContact N-OE2 3.17Å
375A87.4Confident85.3Confident3 Ų372.3 Ų72.33%0.02541%0.406CS..Hα-helixtrans-61.5-31.1174.500000113.6A373 G379 A385 A409A373-A375 PolarHBondContact O-N 2.95Å; A375-G379 PolarHBondContact O-N 2.86Å; A375-A385 PolarHBondContact O-N 3.39Å; A375-A409 HydrophobicContact CB-CB 4.25Å
376E87.9Confident85.2Confident101 Ų10177.4 Ų77.447%0.47242%0.423SS..Hα-helixtrans-71.7-40.8174.3-63.5-176.1173.100111.1A373 F374 M378 G379 P384A373-E376 HydrophobicContact CB-CG 4.11Å; A373-E376 WeakPolarHBondContact O-CA 3.15Å; A373-E376 WeakPolarHBondContact O-CB 3.1Å; A373-E376 PolarHBondContact O-N 2.9Å; F374-E376 VanDerWaalsContact C-N 3.26Å; F374-E376 PolarHBondContact O-N 3.3Å; E376-M378 VanDerWaalsContact C-N 3.33Å; E376-M378 PolarHBondContact O-N 3.15Å; E376-G379 PolarHBondContact O-N 2.8Å; E376-P384 HydrophobicContact CG-CB 4.09Å; E376-P384 HydrophobicContact CG-CG 3.96Å
377L89.9Confident85.2Confident25 Ų2568.6 Ų68.613%0.13138%0.382CS..Hα-helixtrans-66.1-34.6176.9-66.2173.3000112.5L142 L176 P254 L372 A373 F374 G379L142-L377 VanDerWaalsContact CD1-O 3.28Å; L142-L377 WeakPolarHBondContact CD1-O 3.33Å; L176-L377 HydrophobicContact CD1-CB 3.67Å; L176-L377 HydrophobicContact CD2-CB 4.06Å; P254-L377 HydrophobicContact CB-CD1 4.01Å; P254-L377 HydrophobicContact CB-CD2 4.26Å; L372-L377 HydrophobicContact CD1-CD2 4.32Å; A373-L377 PolarHBondContact O-N 3.24Å; F374-L377 PolarHBondContact O-N 3.15Å; F374-L377 VanDerWaalsContact O-N 3.16Å; L377-G379 VanDerWaalsContact C-N 3.31Å
378M89.1Confident85.1Confident1 Ų165 Ų651%0.00536%0.363CS..Hα-helixtrans-66.7-34.1175.7-73.5175.871.200112.4L176 F374 E376 A385 H401 A405 A409L176-M378 HydrophobicContact CD1-CB 4.42Å; L176-M378 HydrophobicContact CD1-CG 3.74Å; F374-M378 HydrophobicContact CD1-CG 3.97Å; F374-M378 HydrophobicContact CD1-SD 3.58Å; F374-M378 VanDerWaalsContact CD1-SD 3.58Å; F374-M378 HydrophobicContact CE1-CG 3.68Å; F374-M378 HydrophobicContact CE1-SD 3.39Å; F374-M378 WeakPolarHBondContact CE1-SD 3.07Å; F374-M378 HydrophobicContact CZ-CG 4.19Å; F374-M378 HydrophobicContact CZ-SD 4.4Å; F374-M378 WeakPolarHBondContact O-CG 3.5Å; F374-M378 PolarHBondContact O-N 3.01Å; E376-M378 VanDerWaalsContact C-N 3.33Å; E376-M378 PolarHBondContact O-N 3.15Å; M378-A385 HydrophobicContact CB-CB 3.62Å; M378-A385 HydrophobicContact CE-CB 4.47Å; M378-H401 HydrophobicContact CE-CB 3.49Å; M378-H401 VanDerWaalsContact CE-CB 3.49Å; M378-H401 WeakPolarHBondContact CE-ND1 3.24Å; M378-H401 PolarHBondContact O-CE1 2.91Å; M378-A405 HydrophobicContact CE-CB 3.96Å; M378-A405 HydrophobicContact SD-CB 4.32Å; M378-A409 HydrophobicContact SD-CB 3.67Å
379G83Confident85.2Confident12 Ų1268.8 Ų68.812%0.12436%0.363CS..SBendtrans-76.9-179.7-174.400000114.5A375 E376 L377 R383A375-G379 PolarHBondContact O-N 2.86Å; E376-G379 PolarHBondContact O-N 2.8Å; L377-G379 VanDerWaalsContact C-N 3.31Å; G379-R383 VanDerWaalsContact CA-O 3.3Å; G379-R383 WeakPolarHBondContact CA-O 3.14Å
380E78.8Confident85.4Confident103 Ų10363.2 Ų63.248%0.48134%0.338SS..BIsolated β-bridgetrans-73.9154.5163.7-67.9-179.6161.400109.5G382 R383E380-G382 PolarHBondContact O-N 2.79Å; E380-G382 VanDerWaalsContact O-N 3.07Å; E380-R383 HydrophobicContact CB-CB 4.31Å; E380-R383 PolarHBondContact N-O 2.78Å; E380-R383 CarbonylContact O-C 3.46Å; E380-R383 PolarHBondContact O-N 3.03Å; E380-R383 IonicContact OE2-NH1 3.68Å
381P72Confident85.5Confident133 Ų13362.3 Ų62.386%0.86433%0.328SS*.THydrogen-bonded Turntrans-49.8119.8173.1-27.435.2000111.9R383P381-R383 VanDerWaalsContact C-N 3.33Å
382G72.4Confident85.6Confident83 Ų8364 Ų6486%0.85634%0.336SS*.THydrogen-bonded Turntrans80.91.9-177.900000115.7E380E380-G382 PolarHBondContact O-N 2.79Å; E380-G382 VanDerWaalsContact O-N 3.07Å
383R82.2Confident85.6Confident177 Ų17763.7 Ų63.767%0.66833%0.332SS*.BIsolated β-bridgetrans-133.985.7177.3-67179.9175.5175.4-2.5110.6G379 E380 P381G379-R383 VanDerWaalsContact CA-O 3.3Å; G379-R383 WeakPolarHBondContact CA-O 3.14Å; E380-R383 HydrophobicContact CB-CB 4.31Å; E380-R383 PolarHBondContact N-O 2.78Å; E380-R383 CarbonylContact O-C 3.46Å; E380-R383 PolarHBondContact O-N 3.03Å; E380-R383 IonicContact OE2-NH1 3.68Å; P381-R383 VanDerWaalsContact C-N 3.33Å
384P82.9Confident85.5Confident75 Ų7566.4 Ų66.449%0.48734%0.335SS..  trans-59.2142.5-179.5-2132.4000111.9E376 W386E376-P384 HydrophobicContact CG-CB 4.09Å; E376-P384 HydrophobicContact CG-CG 3.96Å; P384-W386 PolarHBondContact O-N 3.26Å
385A85Confident85.4Confident10 Ų1072.8 Ų72.88%0.08337%0.367CS..  trans-64.4129.2176.800000110.5A375 M378 A387A375-A385 PolarHBondContact O-N 3.39Å; M378-A385 HydrophobicContact CB-CB 3.62Å; M378-A385 HydrophobicContact CE-CB 4.47Å; A385-A387 PolarHBondContact O-N 2.64Å; A385-A387 VanDerWaalsContact O-N 3.17Å
386W88.4Confident85.4Confident147 Ų14777.6 Ų77.656%0.55740%0.395SS*.  trans-85.791174.5-171.128.8000109.9P384 F388 W389 E390P384-W386 PolarHBondContact O-N 3.26Å; W386-F388 VanDerWaalsContact C-N 3.28Å; W386-F388 HydrophobicContact CZ2-CD1 4.14Å; W386-F388 PolarHBondContact O-N 3.39Å; W386-F388 VanDerWaalsContact O-N 3.14Å; W386-W389 HydrophobicContact CB-CB 4.07Å; W386-W389 HydrophobicContact CD2-CB 3.64Å; W386-W389 HydrophobicContact CE3-CB 3.26Å; W386-W389 HydrophobicContact CE3-CD2 4.38Å; W386-W389 AromaticContact CE3-CG 3.82Å; W386-W389 HydrophobicContact CE3-CG 3.82Å; W386-W389 HydrophobicContact CG-CB 4.03Å; W386-W389 HydrophobicContact CZ3-CB 3.81Å; W386-W389 HydrophobicContact CZ3-CD2 4.26Å; W386-W389 HydrophobicContact CZ3-CE3 4.08Å; W386-W389 HydrophobicContact CZ3-CG 4.17Å; W386-W389 WeakPolarHBondContact O-CA 3.39Å; W386-W389 WeakPolarHBondContact O-CB 3.23Å; W386-W389 PolarHBondContact O-N 3.23Å; W386-E390 PolarHBondContact O-N 3.33Å
387A87.6Confident85.3Confident2 Ų276 Ų762%0.01741%0.407CS..Hα-helixtrans-53.7-37.5-171.600000114.8A385 W389 E390 L391 I406 A409 L410A385-A387 PolarHBondContact O-N 2.64Å; A385-A387 VanDerWaalsContact O-N 3.17Å; A387-W389 VanDerWaalsContact C-N 3.33Å; A387-W389 PolarHBondContact O-N 3.03Å; A387-E390 PolarHBondContact O-N 3.3Å; A387-L391 PolarHBondContact O-N 2.98Å; A387-I406 WeakPolarHBondContact O-CG2 3.46Å; A387-A409 HydrophobicContact CB-CB 3.7Å; A387-L410 HydrophobicContact CB-CD2 3.79Å; A387-L410 HydrophobicContact CB-CG 3.79Å
388F87.1Confident85.3Confident102 Ų10282.3 Ų82.345%0.44743%0.433SS..Hα-helixtrans-64.8-38.1175.2-176.4-99.8000112.2W386 L391 L392 L410W386-F388 VanDerWaalsContact C-N 3.28Å; W386-F388 HydrophobicContact CZ2-CD1 4.14Å; W386-F388 PolarHBondContact O-N 3.39Å; W386-F388 VanDerWaalsContact O-N 3.14Å; F388-L391 WeakPolarHBondContact O-CB 3.3Å; F388-L391 PolarHBondContact O-N 3.28Å; F388-L392 HydrophobicContact CD1-CD1 4.12Å; F388-L392 HydrophobicContact CD1-CG 4.46Å; F388-L392 HydrophobicContact CE1-CD1 3.71Å; F388-L392 HydrophobicContact CE1-CG 4.15Å; F388-L392 HydrophobicContact CZ-CD1 4.46Å; F388-L392 WeakPolarHBondContact O-CG 3.11Å; F388-L392 PolarHBondContact O-N 3.01Å; F388-L392 VanDerWaalsContact O-N 3.08Å; F388-L410 HydrophobicContact CB-CD2 4.5Å
389W89.5Confident85.3Confident129 Ų12982.8 Ų82.849%0.48944%0.437SS..Hα-helixtrans-70.3-37174.9-175.7-117.7000112.3W386 A387 L391 L392 K393W386-W389 HydrophobicContact CB-CB 4.07Å; W386-W389 HydrophobicContact CD2-CB 3.64Å; W386-W389 HydrophobicContact CE3-CB 3.26Å; W386-W389 HydrophobicContact CE3-CD2 4.38Å; W386-W389 AromaticContact CE3-CG 3.82Å; W386-W389 HydrophobicContact CE3-CG 3.82Å; W386-W389 HydrophobicContact CG-CB 4.03Å; W386-W389 HydrophobicContact CZ3-CB 3.81Å; W386-W389 HydrophobicContact CZ3-CD2 4.26Å; W386-W389 HydrophobicContact CZ3-CE3 4.08Å; W386-W389 HydrophobicContact CZ3-CG 4.17Å; W386-W389 WeakPolarHBondContact O-CA 3.39Å; W386-W389 WeakPolarHBondContact O-CB 3.23Å; W386-W389 PolarHBondContact O-N 3.23Å; A387-W389 VanDerWaalsContact C-N 3.33Å; A387-W389 PolarHBondContact O-N 3.03Å; W389-L391 VanDerWaalsContact C-N 3.29Å; W389-L391 PolarHBondContact O-N 2.97Å; W389-L392 HydrophobicContact CE3-CB 4.39Å; W389-L392 HydrophobicContact CE3-CD1 3.8Å; W389-L392 HydrophobicContact CZ3-CD1 4.04Å; W389-L392 WeakPolarHBondContact O-CB 3.5Å; W389-L392 PolarHBondContact O-N 3.25Å; W389-L392 VanDerWaalsContact O-N 3.13Å; W389-K393 WeakPolarHBondContact O-CG 3.39Å; W389-K393 PolarHBondContact O-N 3.26Å
390E90.4Very high85.6Confident9 Ų986.8 Ų86.84%0.04245%0.452CS..Hα-helixtrans-60.8-39.8170.9-68.7-56140.700112.1W386 A387 L392 K393 R394 S399 H401 I406W386-E390 PolarHBondContact O-N 3.33Å; A387-E390 PolarHBondContact O-N 3.3Å; E390-L392 VanDerWaalsContact C-N 3.31Å; E390-L392 PolarHBondContact O-N 3.26Å; E390-K393 PolarHBondContact O-N 2.8Å; E390-K393 VanDerWaalsContact OE1-CE 3.24Å; E390-K393 WeakPolarHBondContact OE1-CE 3.15Å; E390-K393 IonicContact OE1-NZ 2.79Å; E390-K393 PolarHBondContact OE1-NZ 2.56Å; E390-K393 IonicContact OE2-NZ 2.6Å; E390-R394 WeakPolarHBondContact O-CB 3.34Å; E390-R394 PolarHBondContact O-N 2.95Å; E390-S399 WeakPolarHBondContact O-CB 3.41Å; E390-S399 WeakPolarHBondContact OE2-CA 3.48Å; E390-S399 WeakPolarHBondContact OE2-CB 3.49Å; E390-S399 PolarHBondContact OE2-OG 3.44Å; E390-H401 IonicContact OE2-CD2 3.23Å; E390-I406 HydrophobicContact CB-CD1 3.86Å; E390-I406 HydrophobicContact CB-CG1 3.83Å; E390-I406 HydrophobicContact CB-CG2 4.49Å
391L89.2Confident86.3Confident69 Ų6982.3 Ų82.336%0.36143%0.431SS..Hα-helixtrans-60.3-41.2172.8-173.164.8000111.6A387 F388 W389 R394 M395 I406 L410A387-L391 PolarHBondContact O-N 2.98Å; F388-L391 WeakPolarHBondContact O-CB 3.3Å; F388-L391 PolarHBondContact O-N 3.28Å; W389-L391 VanDerWaalsContact C-N 3.29Å; W389-L391 PolarHBondContact O-N 2.97Å; L391-R394 WeakPolarHBondContact O-CB 3.49Å; L391-R394 PolarHBondContact O-N 2.94Å; L391-M395 PolarHBondContact O-N 2.98Å; L391-I406 HydrophobicContact CB-CG2 4.04Å; L391-I406 HydrophobicContact CD1-CG2 4.44Å; L391-L410 HydrophobicContact CD2-CD1 4.36Å
392L89.9Confident87.3Confident60 Ų6076.2 Ų76.231%0.31439%0.391SS..Hα-helixtrans-66.2-44.7174.9-66.9178.3000112.4F388 W389 E390 R394 M395F388-L392 HydrophobicContact CD1-CD1 4.12Å; F388-L392 HydrophobicContact CD1-CG 4.46Å; F388-L392 HydrophobicContact CE1-CD1 3.71Å; F388-L392 HydrophobicContact CE1-CG 4.15Å; F388-L392 HydrophobicContact CZ-CD1 4.46Å; F388-L392 WeakPolarHBondContact O-CG 3.11Å; F388-L392 PolarHBondContact O-N 3.01Å; F388-L392 VanDerWaalsContact O-N 3.08Å; W389-L392 HydrophobicContact CE3-CB 4.39Å; W389-L392 HydrophobicContact CE3-CD1 3.8Å; W389-L392 HydrophobicContact CZ3-CD1 4.04Å; W389-L392 WeakPolarHBondContact O-CB 3.5Å; W389-L392 PolarHBondContact O-N 3.25Å; W389-L392 VanDerWaalsContact O-N 3.13Å; E390-L392 VanDerWaalsContact C-N 3.31Å; E390-L392 PolarHBondContact O-N 3.26Å; L392-R394 PolarHBondContact O-N 3.47Å; L392-M395 HydrophobicContact CD2-CE 3.47Å; L392-M395 VanDerWaalsContact CD2-CE 3.47Å; L392-M395 PolarHBondContact O-N 3.4Å
393K88.8Confident88.3Confident52 Ų5275.1 Ų75.123%0.22637%0.365CS..Hα-helixtrans-59.3-34174.7-69.5-173.5-149.3172.50111.7W389 E390 M395 V396 G397 K398W389-K393 WeakPolarHBondContact O-CG 3.39Å; W389-K393 PolarHBondContact O-N 3.26Å; E390-K393 PolarHBondContact O-N 2.8Å; E390-K393 VanDerWaalsContact OE1-CE 3.24Å; E390-K393 WeakPolarHBondContact OE1-CE 3.15Å; E390-K393 IonicContact OE1-NZ 2.79Å; E390-K393 PolarHBondContact OE1-NZ 2.56Å; E390-K393 IonicContact OE2-NZ 2.6Å; K393-M395 VanDerWaalsContact C-N 3.31Å; K393-M395 PolarHBondContact O-N 3.43Å; K393-V396 CarbonylContact O-C 3.51Å; K393-V396 WeakPolarHBondContact O-CG2 3.37Å; K393-V396 PolarHBondContact O-N 3.3Å; K393-V396 VanDerWaalsContact O-N 3.15Å; K393-G397 PolarHBondContact O-N 3.02Å; K393-K398 HydrophobicContact CB-CB 4.34Å; K393-K398 PolarHBondContact O-N 3.22Å
394R86.8Confident88.7Confident91 Ų9167.3 Ų67.334%0.34334%0.337SS..Hα-helixtrans-61.8-38.5178.8-178.361.6178.7-156.54.6111.9H185 E390 L391 L392 V396 G397 I403H185-R394 PolarHBondContact CE1-NH1 3.05Å; H185-R394 VanDerWaalsContact CE1-NH1 3.3Å; H185-R394 PolarHBondContact NE2-NH1 2.92Å; E390-R394 WeakPolarHBondContact O-CB 3.34Å; E390-R394 PolarHBondContact O-N 2.95Å; L391-R394 WeakPolarHBondContact O-CB 3.49Å; L391-R394 PolarHBondContact O-N 2.94Å; L392-R394 PolarHBondContact O-N 3.47Å; R394-V396 PolarHBondContact O-N 2.91Å; R394-V396 VanDerWaalsContact O-N 3.14Å; R394-G397 PolarHBondContact O-N 3.43Å; R394-I403 HydrophobicContact CG-CG1 4.36Å
395M85.6Confident89.2Confident145 Ų14563.9 Ų63.971%0.71432%0.316SS*.Hα-helixtrans-61.2-23178-59.5-169.1-56.800113L391 L392 K393L391-M395 PolarHBondContact O-N 2.98Å; L392-M395 HydrophobicContact CD2-CE 3.47Å; L392-M395 VanDerWaalsContact CD2-CE 3.47Å; L392-M395 PolarHBondContact O-N 3.4Å; K393-M395 VanDerWaalsContact C-N 3.31Å; K393-M395 PolarHBondContact O-N 3.43Å
396V87.8Confident89.5Confident103 Ų10363.5 Ų63.562%0.62431%0.312SS*.THydrogen-bonded Turntrans-109.312.2177.1-61.20000113.2K393 R394 K398K393-V396 CarbonylContact O-C 3.51Å; K393-V396 WeakPolarHBondContact O-CG2 3.37Å; K393-V396 PolarHBondContact O-N 3.3Å; K393-V396 VanDerWaalsContact O-N 3.15Å; R394-V396 PolarHBondContact O-N 2.91Å; R394-V396 VanDerWaalsContact O-N 3.14Å; V396-K398 VanDerWaalsContact C-N 3.31Å; V396-K398 HydrophobicContact CG2-CB 4.15Å; V396-K398 HydrophobicContact CG2-CD 4.25Å; V396-K398 HydrophobicContact CG2-CG 4.1Å; V396-K398 PolarHBondContact O-N 2.94Å
397G84.9Confident89.6Confident69 Ų6960.6 Ų60.671%0.71131%0.307SS*.THydrogen-bonded Turntrans70.618.6177.300000115.5K393 R394K393-G397 PolarHBondContact O-N 3.02Å; R394-G397 PolarHBondContact O-N 3.43Å
398K89.1Confident89.7Confident157 Ų15763.3 Ų63.368%0.68332%0.321SS*.  trans-109.34.8-175.2-66.8-172176.9-176.70114.9K393 V396K393-K398 HydrophobicContact CB-CB 4.34Å; K393-K398 PolarHBondContact O-N 3.22Å; V396-K398 VanDerWaalsContact C-N 3.31Å; V396-K398 HydrophobicContact CG2-CB 4.15Å; V396-K398 HydrophobicContact CG2-CD 4.25Å; V396-K398 HydrophobicContact CG2-CG 4.1Å; V396-K398 PolarHBondContact O-N 2.94Å
399S89.8Confident89.8Confident11 Ų1158.5 Ų58.58%0.07730%0.3CS..  trans-75.8135.2179.2-177.70000110.5H185 E390 H401H185-S399 PolarHBondContact CE1-O 3.17Å; H185-S399 PolarHBondContact ND1-O 3.38Å; E390-S399 WeakPolarHBondContact O-CB 3.41Å; E390-S399 WeakPolarHBondContact OE2-CA 3.48Å; E390-S399 WeakPolarHBondContact OE2-CB 3.49Å; E390-S399 PolarHBondContact OE2-OG 3.44Å; S399-H401 PolarHBondContact OG-N 2.88Å; S399-H401 PolarHBondContact OG-O 3.48Å
400E89.9Confident89.7Confident95 Ų9554.8 Ų54.844%0.44429%0.289SS..SBendtrans-79.1-12.8176.8-68.9-172.7166.900112.1L143 H185L143-E400 HydrophobicContact CD1-CB 3.77Å; L143-E400 HydrophobicContact CD1-CG 3.92Å; H185-E400 VanDerWaalsContact ND1-C 3.27Å; H185-E400 PolarHBondContact ND1-O 2.87Å
401H92.8Very high89.4Confident10 Ų1057.6 Ų57.65%0.04630%0.302CS..SBendtrans-113.9149.8-172.6-59.7-70.3000112.9E175 H185 M378 E390 S399 A405 I406E175-H401 IonicContact OE1-CE1 3.5Å; E175-H401 IonicContact OE1-CG 3.95Å; E175-H401 IonicContact OE1-ND1 3.1Å; E175-H401 PolarHBondContact OE1-ND1 2.89Å; H185-H401 PolarHBondContact CE1-O 3.29Å; M378-H401 HydrophobicContact CE-CB 3.49Å; M378-H401 VanDerWaalsContact CE-CB 3.49Å; M378-H401 WeakPolarHBondContact CE-ND1 3.24Å; M378-H401 PolarHBondContact O-CE1 2.91Å; E390-H401 IonicContact OE2-CD2 3.23Å; S399-H401 PolarHBondContact OG-N 2.88Å; S399-H401 PolarHBondContact OG-O 3.48Å; H401-A405 HydrophobicContact CB-CB 4.48Å; H401-I406 HydrophobicContact CB-CD1 4.38Å; H401-I406 HydrophobicContact CB-CG1 3.96Å
402T93.3Very high88.9Confident4 Ų457.3 Ų57.33%0.02530%0.298CS..  trans-69.9155.7176.2630000111.5E175 A405 I406E175-T402 WeakPolarHBondContact OE2-CB 3.46Å; E175-T402 WeakPolarHBondContact OE2-CG2 3.33Å; E175-T402 PolarHBondContact OE2-N 3.29Å; E175-T402 PolarHBondContact OE2-OG1 2.9Å; T402-A405 PolarHBondContact O-N 3.18Å; T402-A405 WeakPolarHBondContact OG1-CB 3.17Å; T402-A405 PolarHBondContact OG1-N 3.09Å; T402-I406 WeakPolarHBondContact O-CG1 3.5Å; T402-I406 PolarHBondContact O-N 3.19Å
403I92.4Very high88Confident61 Ų6160.2 Ų60.231%0.31331%0.308SS..Hα-helixtrans-55.7-46.6176.5-66.6170.9000111.9R394 A405 I406 L407 L460R394-I403 HydrophobicContact CG-CG1 4.36Å; I403-A405 VanDerWaalsContact C-N 3.33Å; I403-A405 PolarHBondContact O-N 3.36Å; I403-I406 PolarHBondContact O-N 2.96Å; I403-L407 HydrophobicContact CG2-CD1 3.74Å; I403-L407 HydrophobicContact CG2-CG 4.08Å; I403-L407 WeakPolarHBondContact O-CB 3.44Å; I403-L407 VanDerWaalsContact O-CG 3.31Å; I403-L407 WeakPolarHBondContact O-CG 3.42Å; I403-L407 PolarHBondContact O-N 3.11Å; I403-L460 HydrophobicContact CG2-CD2 4.16Å
404P92.4Very high86.6Confident12 Ų1262.8 Ų62.88%0.07833%0.329CS..Hα-helixtrans-54.8-44.4174.8-2431000113.8W179 L407 L408 L460W179-P404 HydrophobicContact CB-CB 4.4Å; W179-P404 HydrophobicContact CD2-CB 3.39Å; W179-P404 HydrophobicContact CD2-CG 3.73Å; W179-P404 HydrophobicContact CE3-CB 3.67Å; W179-P404 HydrophobicContact CE3-CG 4.39Å; W179-P404 HydrophobicContact CG-CB 3.71Å; W179-P404 HydrophobicContact CG-CG 3.96Å; W179-P404 HydrophobicContact CH2-CB 4.3Å; W179-P404 HydrophobicContact CH2-CG 4.45Å; W179-P404 HydrophobicContact CZ2-CB 4.05Å; W179-P404 HydrophobicContact CZ2-CG 3.79Å; W179-P404 HydrophobicContact CZ3-CB 4.12Å; P404-L407 PolarHBondContact O-N 3.07Å; P404-L408 WeakPolarHBondContact O-CB 3.45Å; P404-L408 PolarHBondContact O-N 3.06Å; P404-L460 HydrophobicContact CG-CD2 3.76Å
405A92.3Very high85.3Confident4 Ų462.1 Ų62.13%0.03333%0.329CS..Hα-helixtrans-63.4-44.5179.300000111.7E175 F374 M378 H401 T402 I403 L407 L408 A409E175-A405 HydrophobicContact CG-CB 4.39Å; E175-A405 WeakPolarHBondContact OE2-CB 3.34Å; F374-A405 HydrophobicContact CE1-CB 3.9Å; F374-A405 WeakPolarHBondContact CE1-O 3.31Å; F374-A405 HydrophobicContact CZ-CB 4.15Å; M378-A405 HydrophobicContact CE-CB 3.96Å; M378-A405 HydrophobicContact SD-CB 4.32Å; H401-A405 HydrophobicContact CB-CB 4.48Å; T402-A405 PolarHBondContact O-N 3.18Å; T402-A405 WeakPolarHBondContact OG1-CB 3.17Å; T402-A405 PolarHBondContact OG1-N 3.09Å; I403-A405 VanDerWaalsContact C-N 3.33Å; I403-A405 PolarHBondContact O-N 3.36Å; A405-L407 PolarHBondContact O-N 3.08Å; A405-L408 PolarHBondContact O-N 3.39Å; A405-A409 WeakPolarHBondContact O-CB 3.29Å; A405-A409 PolarHBondContact O-N 3.08Å
406I91.7Very high83.7Confident2 Ų263 Ų631%0.0134%0.336CS..Hα-helixtrans-61.4-45.7176.5-63166.4000111A387 E390 L391 H401 T402 I403 A409 L410A387-I406 WeakPolarHBondContact O-CG2 3.46Å; E390-I406 HydrophobicContact CB-CD1 3.86Å; E390-I406 HydrophobicContact CB-CG1 3.83Å; E390-I406 HydrophobicContact CB-CG2 4.49Å; L391-I406 HydrophobicContact CB-CG2 4.04Å; L391-I406 HydrophobicContact CD1-CG2 4.44Å; H401-I406 HydrophobicContact CB-CD1 4.38Å; H401-I406 HydrophobicContact CB-CG1 3.96Å; T402-I406 WeakPolarHBondContact O-CG1 3.5Å; T402-I406 PolarHBondContact O-N 3.19Å; I403-I406 PolarHBondContact O-N 2.96Å; I406-A409 PolarHBondContact O-N 3.46Å; I406-L410 HydrophobicContact CG2-CD1 4.19Å; I406-L410 WeakPolarHBondContact O-CG 3.44Å; I406-L410 PolarHBondContact O-N 3.44Å
407L90.8Very high82Confident85 Ų8562.5 Ų62.545%0.44534%0.337SS..Hα-helixtrans-65.1-40.3179.6-69.7178.1000111.9I403 P404 A405 L410 F411I403-L407 HydrophobicContact CG2-CD1 3.74Å; I403-L407 HydrophobicContact CG2-CG 4.08Å; I403-L407 WeakPolarHBondContact O-CB 3.44Å; I403-L407 VanDerWaalsContact O-CG 3.31Å; I403-L407 WeakPolarHBondContact O-CG 3.42Å; I403-L407 PolarHBondContact O-N 3.11Å; P404-L407 PolarHBondContact O-N 3.07Å; A405-L407 PolarHBondContact O-N 3.08Å; L407-L410 PolarHBondContact O-N 3.18Å; L407-F411 WeakPolarHBondContact O-CB 3.46Å; L407-F411 PolarHBondContact O-N 3.29Å
408L89.2Confident81Confident60 Ų6068.5 Ų68.531%0.31434%0.343SS..Hα-helixtrans-62.6-46.3175.7-179.360.1000111.3M178 F374 P404 A405 L410 F411 E412M178-L408 HydrophobicContact CB-CD2 3.81Å; M178-L408 HydrophobicContact CG-CD2 4.49Å; F374-L408 HydrophobicContact CD1-CB 4.18Å; F374-L408 HydrophobicContact CD1-CD2 3.91Å; F374-L408 HydrophobicContact CD1-CG 3.94Å; F374-L408 HydrophobicContact CD2-CD2 3.94Å; F374-L408 HydrophobicContact CE1-CB 4.19Å; F374-L408 HydrophobicContact CE1-CD2 3.88Å; F374-L408 HydrophobicContact CE1-CG 4.23Å; F374-L408 HydrophobicContact CE2-CD2 3.91Å; F374-L408 HydrophobicContact CG-CD2 3.94Å; F374-L408 HydrophobicContact CG-CG 4.18Å; F374-L408 HydrophobicContact CZ-CD2 3.89Å; P404-L408 WeakPolarHBondContact O-CB 3.45Å; P404-L408 PolarHBondContact O-N 3.06Å; A405-L408 PolarHBondContact O-N 3.39Å; L408-L410 VanDerWaalsContact C-N 3.29Å; L408-L410 PolarHBondContact O-N 3.47Å; L408-F411 PolarHBondContact O-N 3.1Å; L408-E412 WeakPolarHBondContact O-CB 3.26Å; L408-E412 PolarHBondContact O-N 3.14Å
409A89.3Confident80.2Confident0 Ų063.6 Ų63.60%033%0.327CS..Hα-helixtrans-62.6-33.917700000113.3F374 A375 M378 A387 A405 I406F374-A409 HydrophobicContact CD1-CB 4.07Å; A375-A409 HydrophobicContact CB-CB 4.25Å; M378-A409 HydrophobicContact SD-CB 3.67Å; A387-A409 HydrophobicContact CB-CB 3.7Å; A405-A409 WeakPolarHBondContact O-CB 3.29Å; A405-A409 PolarHBondContact O-N 3.08Å; I406-A409 PolarHBondContact O-N 3.46Å
410L87.3Confident80Confident52 Ų5265.5 Ų65.527%0.27234%0.341SS..Hα-helixtrans-70.8-44.1173.2-72.9170.6000111.4A387 F388 L391 I406 L407 L408 K413 T414A387-L410 HydrophobicContact CB-CD2 3.79Å; A387-L410 HydrophobicContact CB-CG 3.79Å; F388-L410 HydrophobicContact CB-CD2 4.5Å; L391-L410 HydrophobicContact CD2-CD1 4.36Å; I406-L410 HydrophobicContact CG2-CD1 4.19Å; I406-L410 WeakPolarHBondContact O-CG 3.44Å; I406-L410 PolarHBondContact O-N 3.44Å; L407-L410 PolarHBondContact O-N 3.18Å; L408-L410 VanDerWaalsContact C-N 3.29Å; L408-L410 PolarHBondContact O-N 3.47Å; L410-K413 PolarHBondContact O-N 3.37Å; L410-T414 PolarHBondContact O-N 3.44Å
411F83.9Confident80.1Confident68 Ų6866 Ų6630%0.29835%0.352SS..Hα-helixtrans-60.8-49.1-179.7-177.9-100.4000111.3L407 L408 K413 T414 H415L407-F411 WeakPolarHBondContact O-CB 3.46Å; L407-F411 PolarHBondContact O-N 3.29Å; L408-F411 PolarHBondContact O-N 3.1Å; F411-K413 VanDerWaalsContact C-N 3.32Å; F411-K413 PolarHBondContact O-N 3.06Å; F411-T414 WeakPolarHBondContact O-CA 3.42Å; F411-T414 PolarHBondContact O-N 3.23Å; F411-T414 PolarHBondContact O-OG1 2.87Å; F411-H415 HydrophobicContact CD1-CB 4.44Å; F411-H415 HydrophobicContact CE1-CB 4.08Å; F411-H415 AromaticContact CE1-CG 3.87Å; F411-H415 AromaticContact CE2-CD2 3.7Å; F411-H415 HydrophobicContact CZ-CB 4.29Å; F411-H415 AromaticContact CZ-CD2 3.4Å; F411-H415 VanDerWaalsContact CZ-CD2 3.4Å; F411-H415 WeakPolarHBondContact CZ-CD2 3.33Å; F411-H415 AromaticContact CZ-CE1 3.97Å; F411-H415 AromaticContact CZ-CG 3.67Å; F411-H415 AromaticContact CZ-ND1 4Å; F411-H415 AromaticContact CZ-NE2 3.64Å; F411-H415 PolarHBondContact O-N 2.82Å; F411-H415 VanDerWaalsContact O-N 3.11Å
412E80.1Confident80Confident62 Ų6268.8 Ų68.829%0.2937%0.365SS..Hα-helixtrans-55.7-43.2-179.8-173.5-174.6-142.400112.5A373 F374 L408 T414 H415A373-E412 WeakPolarHBondContact CA-OE1 3.44Å; F374-E412 WeakPolarHBondContact CA-OE2 3.41Å; F374-E412 WeakPolarHBondContact CB-OE2 3.2Å; F374-E412 VanDerWaalsContact N-CD 3.29Å; F374-E412 PolarHBondContact N-OE1 2.96Å; F374-E412 PolarHBondContact N-OE2 3.17Å; L408-E412 WeakPolarHBondContact O-CB 3.26Å; L408-E412 PolarHBondContact O-N 3.14Å; E412-T414 PolarHBondContact O-N 3.01Å; E412-H415 PolarHBondContact O-N 3.36Å; E412-H415 VanDerWaalsContact O-N 3.11Å
413K69.1Low80Confident122 Ų12269.3 Ų69.353%0.5337%0.367SS..Hα-helixtrans-61.4-28.5176.6-78.3-170.3176.1-172.30113.7L410 F411L410-K413 PolarHBondContact O-N 3.37Å; F411-K413 VanDerWaalsContact C-N 3.32Å; F411-K413 PolarHBondContact O-N 3.06Å
414T59.5Low80.1Confident106 Ų10668.8 Ų68.865%0.6536%0.364SS*.Hα-helixtrans-89.6-13.8179.261.70000113.3L410 F411 E412L410-T414 PolarHBondContact O-N 3.44Å; F411-T414 WeakPolarHBondContact O-CA 3.42Å; F411-T414 PolarHBondContact O-N 3.23Å; F411-T414 PolarHBondContact O-OG1 2.87Å; E412-T414 PolarHBondContact O-N 3.01Å
415H59.5Low80.3Confident77 Ų7773.8 Ų73.836%0.35639%0.387SS..  trans-11026.2-169.5-127.5-104.2000114.7D358 F411 E412 S417D358-H415 IonicContact OD2-CE1 3.75Å; D358-H415 IonicContact OD2-ND1 3.82Å; D358-H415 PolarHBondContact OD2-ND1 3.14Å; D358-H415 VanDerWaalsContact OD2-ND1 3.1Å; F411-H415 HydrophobicContact CD1-CB 4.44Å; F411-H415 HydrophobicContact CE1-CB 4.08Å; F411-H415 AromaticContact CE1-CG 3.87Å; F411-H415 AromaticContact CE2-CD2 3.7Å; F411-H415 HydrophobicContact CZ-CB 4.29Å; F411-H415 AromaticContact CZ-CD2 3.4Å; F411-H415 VanDerWaalsContact CZ-CD2 3.4Å; F411-H415 WeakPolarHBondContact CZ-CD2 3.33Å; F411-H415 AromaticContact CZ-CE1 3.97Å; F411-H415 AromaticContact CZ-CG 3.67Å; F411-H415 AromaticContact CZ-ND1 4Å; F411-H415 AromaticContact CZ-NE2 3.64Å; F411-H415 PolarHBondContact O-N 2.82Å; F411-H415 VanDerWaalsContact O-N 3.11Å; E412-H415 PolarHBondContact O-N 3.36Å; E412-H415 VanDerWaalsContact O-N 3.11Å; H415-S417 PolarHBondContact O-N 2.94Å
416L52.9Low80.4Confident164 Ų16475 Ų7586%0.85939%0.392SS*.  trans-71.847.2168.4-75.2155.9000112.2
417S51.4Low80.7Confident91 Ų9176.3 Ų76.364%0.63640%0.397SS*.PPolyproline II helixtrans-87.7136.7176.9-68.90000110.1H415H415-S417 PolarHBondContact O-N 2.94Å
418K64.7Low81Confident195 Ų19577.8 Ų77.885%0.84840%0.402SS*.PPolyproline II helixtrans-53.6140.8171.5-70.5-176.1178.5-178.20109.7S420K418-S420 PolarHBondContact O-N 3.31Å
419P72.9Confident81.4Confident54 Ų5476.5 Ų76.535%0.35140%0.4SS..PPolyproline II helixtrans-58.4127.5-176.626.6-36.3000109.6T359 L363 P421 I424T359-P419 HydrophobicContact CG2-CB 3.51Å; L363-P419 HydrophobicContact CD2-CB 4.46Å; L363-P419 HydrophobicContact CD2-CG 4.29Å; P419-P421 WeakPolarHBondContact O-CD 3.24Å; P419-I424 HydrophobicContact CB-CD1 3.94Å; P419-I424 HydrophobicContact CB-CG1 4.38Å; P419-I424 HydrophobicContact CG-CD1 4.21Å
420S85.3Confident81.9Confident51 Ų5176.5 Ų76.536%0.35740%0.4SS..PPolyproline II helixtrans-66123.9-178.8170.90000109.5K418 F422 I423 I424K418-S420 PolarHBondContact O-N 3.31Å; S420-F422 PolarHBondContact O-N 3.13Å; S420-F422 VanDerWaalsContact O-N 3.12Å; S420-I423 PolarHBondContact O-N 3.23Å; S420-I424 PolarHBondContact O-N 3.2Å; S420-I424 VanDerWaalsContact O-N 3.08Å
421P90.8Very high82.4Confident106 Ų10674.8 Ų74.869%0.68839%0.39SS*.Hα-helixtrans-55.2-32.9177.8-27.335.2000112.9P419 Q425P419-P421 WeakPolarHBondContact O-CD 3.24Å; P421-Q425 WeakPolarHBondContact O-CB 3.28Å; P421-Q425 PolarHBondContact O-N 3.34Å
422F91.7Very high83.1Confident69 Ų6977.5 Ų77.530%0.30340%0.402SS..Hα-helixtrans-63.5-46174.3173.5-101.4000111.8Y352 S420 I424 Q425 Q426Y352-F422 HydrophobicContact CD1-CE1 4.12Å; Y352-F422 AromaticContact CE1-CE1 3.64Å; Y352-F422 HydrophobicContact CE1-CE1 3.64Å; Y352-F422 HydrophobicContact CE1-CZ 4.17Å; Y352-F422 HydrophobicContact CE2-CE1 4.08Å; Y352-F422 AromaticContact CE2-CZ 3.92Å; Y352-F422 HydrophobicContact CE2-CZ 3.92Å; Y352-F422 AromaticContact CZ-CE1 3.61Å; Y352-F422 AromaticContact CZ-CZ 3.63Å; S420-F422 PolarHBondContact O-N 3.13Å; S420-F422 VanDerWaalsContact O-N 3.12Å; F422-I424 PolarHBondContact O-N 3.38Å; F422-Q425 WeakPolarHBondContact O-CB 3.34Å; F422-Q425 PolarHBondContact O-N 3.05Å; F422-Q426 HydrophobicContact CD1-CG 4.25Å; F422-Q426 HydrophobicContact CD2-CG 4.39Å; F422-Q426 HydrophobicContact CE1-CG 3.78Å; F422-Q426 HydrophobicContact CE2-CG 3.94Å; F422-Q426 HydrophobicContact CZ-CG 3.61Å; F422-Q426 VanDerWaalsContact O-CG 3.29Å; F422-Q426 WeakPolarHBondContact O-CG 3.26Å; F422-Q426 PolarHBondContact O-N 3.33Å
423I92.5Very high84Confident15 Ų1578.6 Ų78.68%0.07741%0.406CS..Hα-helixtrans-66-39.5-179.7-64.1-60.4000111.4Y352 Q355 I356 S420 Q426 K427Y352-I423 HydrophobicContact CD1-CD1 4.02Å; Y352-I423 HydrophobicContact CG-CD1 4.3Å; Q355-I423 HydrophobicContact CB-CD1 3.75Å; Q355-I423 HydrophobicContact CB-CG1 4.24Å; Q355-I423 HydrophobicContact CB-CG2 4.33Å; Q355-I423 HydrophobicContact CG-CD1 4.39Å; I356-I423 HydrophobicContact CB-CG2 4.43Å; I356-I423 HydrophobicContact CG1-CG2 3.82Å; S420-I423 PolarHBondContact O-N 3.23Å; I423-Q426 PolarHBondContact O-N 3.29Å; I423-K427 PolarHBondContact O-N 2.98Å
424I94.2Very high85.3Confident49 Ų4972.9 Ų72.925%0.25138%0.381SS..Hα-helixtrans-58.3-49.7172.8-65.5169.6000110.1P419 S420 F422 Q426 K427 E428P419-I424 HydrophobicContact CB-CD1 3.94Å; P419-I424 HydrophobicContact CB-CG1 4.38Å; P419-I424 HydrophobicContact CG-CD1 4.21Å; S420-I424 PolarHBondContact O-N 3.2Å; S420-I424 VanDerWaalsContact O-N 3.08Å; F422-I424 PolarHBondContact O-N 3.38Å; I424-Q426 VanDerWaalsContact C-N 3.31Å; I424-Q426 PolarHBondContact O-N 3.1Å; I424-K427 WeakPolarHBondContact O-CB 3.21Å; I424-K427 PolarHBondContact O-N 3.01Å; I424-K427 VanDerWaalsContact O-N 3.1Å; I424-E428 HydrophobicContact CG2-CG 4.34Å; I424-E428 WeakPolarHBondContact O-CG 3.42Å; I424-E428 PolarHBondContact O-N 3.08Å
425Q96.4Very high87.2Confident118 Ų11871.8 Ų71.855%0.55137%0.369SS*.Hα-helixtrans-58.9-41.6178.2-176.8-179.945.400112.3P421 F422 K427 E428 A429P421-Q425 WeakPolarHBondContact O-CB 3.28Å; P421-Q425 PolarHBondContact O-N 3.34Å; F422-Q425 WeakPolarHBondContact O-CB 3.34Å; F422-Q425 PolarHBondContact O-N 3.05Å; Q425-K427 VanDerWaalsContact C-N 3.34Å; Q425-E428 PolarHBondContact O-N 3.42Å; Q425-A429 VanDerWaalsContact O-CB 3.29Å; Q425-A429 WeakPolarHBondContact O-CB 3.14Å; Q425-A429 PolarHBondContact O-N 3.35Å
426Q96.3Very high89Confident30 Ų3074.2 Ų74.214%0.1438%0.38CS..Hα-helixtrans-63.5-40176.5-66.7-59.9111.700111.6Y352 I356 F422 I423 I424 L430Y352-Q426 HydrophobicContact CD2-CB 4.39Å; Y352-Q426 HydrophobicContact CD2-CG 3.96Å; Y352-Q426 HydrophobicContact CE2-CG 4.23Å; I356-Q426 HydrophobicContact CD1-CB 4.39Å; F422-Q426 HydrophobicContact CD1-CG 4.25Å; F422-Q426 HydrophobicContact CD2-CG 4.39Å; F422-Q426 HydrophobicContact CE1-CG 3.78Å; F422-Q426 HydrophobicContact CE2-CG 3.94Å; F422-Q426 HydrophobicContact CZ-CG 3.61Å; F422-Q426 VanDerWaalsContact O-CG 3.29Å; F422-Q426 WeakPolarHBondContact O-CG 3.26Å; F422-Q426 PolarHBondContact O-N 3.33Å; I423-Q426 PolarHBondContact O-N 3.29Å; I424-Q426 VanDerWaalsContact C-N 3.31Å; I424-Q426 PolarHBondContact O-N 3.1Å; Q426-L430 WeakPolarHBondContact O-CB 3.34Å; Q426-L430 PolarHBondContact O-N 3.42Å
427K96.6Very high91.2Very high28 Ų2867.8 Ų67.812%0.12235%0.346CS..Hα-helixtrans-64.5-48.9175-173.1-84.2-162.5175.50111.5I356 Y360 I423 I424 Q425 A429 L430 Q431 I474I356-K427 HydrophobicContact CD1-CB 4.19Å; I356-K427 HydrophobicContact CG1-CB 4.14Å; I356-K427 HydrophobicContact CG2-CB 3.8Å; I356-K427 HydrophobicContact CG2-CG 3.55Å; Y360-K427 HydrophobicContact CD2-CG 4.19Å; Y360-K427 HydrophobicContact CE1-CD 4.22Å; Y360-K427 HydrophobicContact CE2-CB 3.73Å; Y360-K427 HydrophobicContact CE2-CD 3.91Å; Y360-K427 HydrophobicContact CE2-CG 3.5Å; Y360-K427 WeakPolarHBondContact OH-CD 3.43Å; I423-K427 PolarHBondContact O-N 2.98Å; I424-K427 WeakPolarHBondContact O-CB 3.21Å; I424-K427 PolarHBondContact O-N 3.01Å; I424-K427 VanDerWaalsContact O-N 3.1Å; Q425-K427 VanDerWaalsContact C-N 3.34Å; K427-A429 PolarHBondContact O-N 3.28Å; K427-L430 PolarHBondContact O-N 2.91Å; K427-Q431 WeakPolarHBondContact O-CB 3.31Å; K427-Q431 PolarHBondContact O-N 3.49Å; K427-I474 HydrophobicContact CG-CG2 4.15Å
428E97.7Very high93.4Very high117 Ų11763.5 Ų63.555%0.54732%0.316SS..Hα-helixtrans-61.1-43.5180-71176.5169.700112.1I424 Q425 Q431 K432I424-E428 HydrophobicContact CG2-CG 4.34Å; I424-E428 WeakPolarHBondContact O-CG 3.42Å; I424-E428 PolarHBondContact O-N 3.08Å; Q425-E428 PolarHBondContact O-N 3.42Å; E428-Q431 PolarHBondContact O-N 3.39Å; E428-K432 WeakPolarHBondContact O-CB 3.42Å; E428-K432 PolarHBondContact O-N 2.85Å
429A98.1Very high95Very high32 Ų3255.8 Ų55.826%0.26429%0.292SS..Hα-helixtrans-61.9-44175.800000111.8E349 Q425 K427 K433E349-A429 HydrophobicContact CG-CB 4.34Å; Q425-A429 VanDerWaalsContact O-CB 3.29Å; Q425-A429 WeakPolarHBondContact O-CB 3.14Å; Q425-A429 PolarHBondContact O-N 3.35Å; K427-A429 PolarHBondContact O-N 3.28Å; A429-K433 WeakPolarHBondContact O-CB 3.29Å; A429-K433 VanDerWaalsContact O-CG 3.24Å; A429-K433 WeakPolarHBondContact O-CG 3.32Å; A429-K433 PolarHBondContact O-N 2.91Å; A429-K433 VanDerWaalsContact O-N 3.16Å
430L98.3Very high96.2Very high0 Ų058.2 Ų58.20%031%0.306CS..Hα-helixtrans-64.7-45.2176.6-178.659.1000111.9F347 E349 L350 Q426 K427 K432 K433 M434 I471 L475F347-L430 HydrophobicContact CB-CD1 3.91Å; F347-L430 HydrophobicContact CD1-CD1 4.08Å; F347-L430 HydrophobicContact CG-CD1 4.01Å; E349-L430 HydrophobicContact CB-CB 3.77Å; E349-L430 HydrophobicContact CB-CD1 4.2Å; E349-L430 HydrophobicContact CB-CD2 4.28Å; E349-L430 HydrophobicContact CB-CG 4.3Å; E349-L430 HydrophobicContact CG-CB 4.13Å; L350-L430 HydrophobicContact CD2-CD1 4.3Å; L350-L430 HydrophobicContact CD2-CD2 3.83Å; L350-L430 HydrophobicContact CG-CD1 4.39Å; L350-L430 HydrophobicContact CG-CD2 4.49Å; Q426-L430 WeakPolarHBondContact O-CB 3.34Å; Q426-L430 PolarHBondContact O-N 3.42Å; K427-L430 PolarHBondContact O-N 2.91Å; L430-K432 PolarHBondContact O-N 3.46Å; L430-K433 PolarHBondContact O-N 3.44Å; L430-M434 HydrophobicContact CD1-CE 3.84Å; L430-M434 HydrophobicContact CD1-CG 3.92Å; L430-M434 HydrophobicContact CG-CG 4.32Å; L430-M434 WeakPolarHBondContact O-CB 3.37Å; L430-M434 VanDerWaalsContact O-CG 3.29Å; L430-M434 WeakPolarHBondContact O-CG 3.18Å; L430-M434 PolarHBondContact O-N 3.16Å; L430-I471 HydrophobicContact CD2-CD1 3.87Å; L430-I471 HydrophobicContact CD2-CG1 3.71Å; L430-L475 HydrophobicContact CD2-CD1 4.06Å; L430-L475 HydrophobicContact CD2-CD2 4.35Å; L430-L475 HydrophobicContact CG-CD1 4.03Å; L430-L475 HydrophobicContact CG-CD2 4.22Å
431Q98.5Very high96.8Very high17 Ų1758.1 Ų58.18%0.07930%0.302CS..Hα-helixtrans-55.6-53.5178.2-174.976.552.100110.9K427 E428 K433 M434 E435 L475 K501K427-Q431 WeakPolarHBondContact O-CB 3.31Å; K427-Q431 PolarHBondContact O-N 3.49Å; E428-Q431 PolarHBondContact O-N 3.39Å; Q431-K433 PolarHBondContact O-N 3.14Å; Q431-M434 PolarHBondContact O-N 3.11Å; Q431-E435 PolarHBondContact NE2-OE1 3.21Å; Q431-E435 WeakPolarHBondContact O-CB 3.28Å; Q431-E435 WeakPolarHBondContact O-CG 3.4Å; Q431-E435 PolarHBondContact O-N 3.17Å; Q431-L475 HydrophobicContact CB-CD2 4.07Å; Q431-L475 PolarHBondContact NE2-O 3.47Å; Q431-L475 VanDerWaalsContact OE1-CA 3.31Å; Q431-L475 VanDerWaalsContact OE1-CD2 3.23Å; Q431-K501 VanDerWaalsContact NE2-NZ 3.15Å
432K98.4Very high97.2Very high125 Ų12553.1 Ų53.154%0.54327%0.269SS..Hα-helixtrans-58.1-48-179.2-179.8177.2175178.30111.5E428 L430 M434 E435 E436E428-K432 WeakPolarHBondContact O-CB 3.42Å; E428-K432 PolarHBondContact O-N 2.85Å; L430-K432 PolarHBondContact O-N 3.46Å; K432-M434 PolarHBondContact O-N 2.97Å; K432-E435 PolarHBondContact O-N 3.05Å; K432-E436 WeakPolarHBondContact CE-OE1 3.34Å; K432-E436 WeakPolarHBondContact CG-OE1 3.28Å; K432-E436 IonicContact NZ-OE1 3.19Å; K432-E436 WeakPolarHBondContact O-CB 3.46Å; K432-E436 WeakPolarHBondContact O-CG 3.5Å; K432-E436 PolarHBondContact O-N 3.49Å
433K98.3Very high97.5Very high84 Ų8449.9 Ų49.937%0.36526%0.255SS..Hα-helixtrans-62.8-41.1179.6-71.6172.9177.2-178.70112.5F347 E349 A429 L430 Q431 L437F347-K433 HydrophobicContact CD1-CB 4.33Å; F347-K433 HydrophobicContact CD1-CD 4.2Å; F347-K433 HydrophobicContact CE1-CB 3.84Å; F347-K433 HydrophobicContact CE1-CD 4.36Å; E349-K433 IonicContact OE1-NZ 2.67Å; E349-K433 PolarHBondContact OE1-NZ 2.84Å; E349-K433 IonicContact OE2-NZ 2.67Å; A429-K433 WeakPolarHBondContact O-CB 3.29Å; A429-K433 VanDerWaalsContact O-CG 3.24Å; A429-K433 WeakPolarHBondContact O-CG 3.32Å; A429-K433 PolarHBondContact O-N 2.91Å; A429-K433 VanDerWaalsContact O-N 3.16Å; L430-K433 PolarHBondContact O-N 3.44Å; Q431-K433 PolarHBondContact O-N 3.14Å; K433-L437 WeakPolarHBondContact O-CB 3.42Å; K433-L437 PolarHBondContact O-N 3.48Å
434M98.3Very high97.8Very high2 Ų249.2 Ų49.21%0.0125%0.252CS..Hα-helixtrans-68.2-40.6178.7-74-72.3-169.500111.7F347 L430 Q431 K432 L437 L438 L444 L475 L477F347-M434 HydrophobicContact CD2-CE 3.41Å; F347-M434 VanDerWaalsContact CD2-CE 3.41Å; F347-M434 HydrophobicContact CD2-SD 4.36Å; F347-M434 HydrophobicContact CE2-CE 3.38Å; F347-M434 HydrophobicContact CE2-SD 3.74Å; F347-M434 HydrophobicContact CG-CE 3.99Å; F347-M434 HydrophobicContact CZ-CE 3.95Å; F347-M434 HydrophobicContact CZ-SD 3.81Å; L430-M434 HydrophobicContact CD1-CE 3.84Å; L430-M434 HydrophobicContact CD1-CG 3.92Å; L430-M434 HydrophobicContact CG-CG 4.32Å; L430-M434 WeakPolarHBondContact O-CB 3.37Å; L430-M434 VanDerWaalsContact O-CG 3.29Å; L430-M434 WeakPolarHBondContact O-CG 3.18Å; L430-M434 PolarHBondContact O-N 3.16Å; Q431-M434 PolarHBondContact O-N 3.11Å; K432-M434 PolarHBondContact O-N 2.97Å; M434-L437 PolarHBondContact O-N 3.31Å; M434-L438 VanDerWaalsContact O-CB 3.27Å; M434-L438 WeakPolarHBondContact O-CB 3.45Å; M434-L438 VanDerWaalsContact O-CG 3.25Å; M434-L438 WeakPolarHBondContact O-CG 3.47Å; M434-L438 PolarHBondContact O-N 3.4Å; M434-L444 HydrophobicContact CE-CD2 3.93Å; M434-L444 HydrophobicContact SD-CD2 3.89Å; M434-L475 HydrophobicContact CB-CD1 4.45Å; M434-L475 HydrophobicContact CG-CD1 3.95Å; M434-L477 HydrophobicContact CB-CD1 4.35Å
435E98Very high98Very high84 Ų8446.9 Ų46.939%0.39324%0.24SC..Hα-helixtrans-64.1-44.8176.1-73.7174.3174.100111.9Q431 K432 G439 K501Q431-E435 PolarHBondContact NE2-OE1 3.21Å; Q431-E435 WeakPolarHBondContact O-CB 3.28Å; Q431-E435 WeakPolarHBondContact O-CG 3.4Å; Q431-E435 PolarHBondContact O-N 3.17Å; K432-E435 PolarHBondContact O-N 3.05Å; E435-G439 PolarHBondContact O-N 2.68Å; E435-K501 IonicContact OE1-NZ 3.49Å; E435-K501 PolarHBondContact OE1-NZ 3.46Å
436E98.1Very high98.1Very high127 Ų12741.4 Ų41.459%0.59321%0.214SC*.Hα-helixtrans-64.7-42.6175.5-72.5172.2-179.600112.3K432K432-E436 WeakPolarHBondContact CE-OE1 3.34Å; K432-E436 WeakPolarHBondContact CG-OE1 3.28Å; K432-E436 IonicContact NZ-OE1 3.19Å; K432-E436 WeakPolarHBondContact O-CB 3.46Å; K432-E436 WeakPolarHBondContact O-CG 3.5Å; K432-E436 PolarHBondContact O-N 3.49Å
437L98.5Very high98.2Very high30 Ų3040.1 Ų40.116%0.15721%0.208CC..Hα-helixtrans-64.9-51.2-179.6-172.876.2000111R303 F305 V345 F347 K433 M434R303-L437 PolarHBondContact NH1-O 2.93Å; R303-L437 PolarHBondContact NH2-O 2.91Å; F305-L437 HydrophobicContact CB-CD2 4.11Å; F305-L437 HydrophobicContact CD1-CD1 3.68Å; F305-L437 HydrophobicContact CD1-CD2 4.07Å; F305-L437 HydrophobicContact CD1-CG 4.07Å; F305-L437 HydrophobicContact CD2-CD1 4.3Å; F305-L437 HydrophobicContact CD2-CD2 3.93Å; F305-L437 HydrophobicContact CD2-CG 3.85Å; F305-L437 HydrophobicContact CE1-CD1 3.41Å; F305-L437 VanDerWaalsContact CE1-CD1 3.41Å; F305-L437 HydrophobicContact CE1-CG 4.04Å; F305-L437 HydrophobicContact CE2-CD1 4.06Å; F305-L437 HydrophobicContact CE2-CD2 4.39Å; F305-L437 HydrophobicContact CE2-CG 3.79Å; F305-L437 HydrophobicContact CG-CD1 4.13Å; F305-L437 HydrophobicContact CG-CD2 3.75Å; F305-L437 HydrophobicContact CG-CG 3.99Å; F305-L437 HydrophobicContact CZ-CD1 3.6Å; F305-L437 HydrophobicContact CZ-CG 3.89Å; V345-L437 HydrophobicContact CG1-CD1 4.46Å; V345-L437 HydrophobicContact CG2-CD2 4.04Å; F347-L437 HydrophobicContact CE2-CD2 4.17Å; F347-L437 HydrophobicContact CZ-CD2 3.7Å; K433-L437 WeakPolarHBondContact O-CB 3.42Å; K433-L437 PolarHBondContact O-N 3.48Å; M434-L437 PolarHBondContact O-N 3.31Å
438L98.6Very high98.2Very high1 Ų138.9 Ų38.91%0.00520%0.203CC..Hα-helixtrans-77.2-43.4-172.2-64.7170.1000111.9M434 T440 D441 G442 L444 L477 V498M434-L438 VanDerWaalsContact O-CB 3.27Å; M434-L438 WeakPolarHBondContact O-CB 3.45Å; M434-L438 VanDerWaalsContact O-CG 3.25Å; M434-L438 WeakPolarHBondContact O-CG 3.47Å; M434-L438 PolarHBondContact O-N 3.4Å; L438-T440 PolarHBondContact O-N 3.31Å; L438-D441 PolarHBondContact O-N 3.25Å; L438-G442 WeakPolarHBondContact O-CA 3.46Å; L438-G442 PolarHBondContact O-N 2.9Å; L438-L444 HydrophobicContact CD2-CB 3.77Å; L438-L477 HydrophobicContact CD1-CD1 3.87Å; L438-L477 HydrophobicContact CD1-CD2 4.01Å; L438-V498 HydrophobicContact CD1-CG1 4.31Å
439G97.6Very high98.2Very high33 Ų3333.6 Ų33.634%0.3418%0.179SC..THydrogen-bonded Turntrans48.6-134.8-177.800000112.7E435E435-G439 PolarHBondContact O-N 2.68Å
440T97.6Very high98.1Very high104 Ų10432.1 Ų32.164%0.63817%0.166SC*.THydrogen-bonded Turntrans-103.7-2.9179.254.10000114.2L438L438-T440 PolarHBondContact O-N 3.31Å
441D98.1Very high98.1Very high50 Ų5037.9 Ų37.927%0.26719%0.188SC..THydrogen-bonded Turntrans-138.3-1.3-169.369.6-29000113.8L302 R303 L438L302-D441 WeakPolarHBondContact CA-O 3.47Å; L302-D441 WeakPolarHBondContact CD2-O 3.43Å; R303-D441 IonicContact CZ-OD1 2.77Å; R303-D441 VanDerWaalsContact CZ-OD1 3.32Å; R303-D441 IonicContact CZ-OD2 2.88Å; R303-D441 PolarHBondContact N-O 3.36Å; R303-D441 IonicContact NE-OD1 3.95Å; R303-D441 PolarHBondContact NE-OD1 2.91Å; R303-D441 IonicContact NE-OD2 3.47Å; R303-D441 PolarHBondContact NE-OD2 2.63Å; R303-D441 IonicContact NH2-OD1 2.72Å; R303-D441 PolarHBondContact NH2-OD1 3.28Å; L438-D441 PolarHBondContact O-N 3.25Å
442G98.6Very high98Very high1 Ų137.9 Ų37.91%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-91.8137.7-177.200000112.6R303 L438R303-G442 CarbonylContact O-C 3.32Å; R303-G442 WeakPolarHBondContact O-CA 3.42Å; L438-G442 WeakPolarHBondContact O-CA 3.46Å; L438-G442 PolarHBondContact O-N 2.9Å
443V98.8Very high98Very high0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-125.9128.5175.4174.70000109.3L302 R303 F304 F305 V497 V498 L506 V510L302-V443 HydrophobicContact CD1-CG2 4.01Å; R303-V443 PolarHBondContact O-N 3.08Å; F304-V443 CarbonylContact C-O 3.57Å; F304-V443 WeakPolarHBondContact CA-O 3.5Å; F304-V443 HydrophobicContact CD1-CB 4Å; F304-V443 HydrophobicContact CD1-CG1 4.11Å; F304-V443 HydrophobicContact CE1-CB 4.08Å; F304-V443 HydrophobicContact CE1-CG1 4.1Å; F305-V443 PolarHBondContact N-O 3.15Å; V443-V497 HydrophobicContact CG1-CG1 3.42Å; V443-V497 VanDerWaalsContact CG1-CG1 3.42Å; V443-V498 CarbonylContact C-O 3.5Å; V443-V498 WeakPolarHBondContact CA-O 3.38Å; V443-L506 HydrophobicContact CG2-CB 4.17Å; V443-V510 HydrophobicContact CG1-CG2 4.3Å; V443-V510 HydrophobicContact CG2-CG2 4.31Å
444L98.9Very high97.9Very high1 Ų129.2 Ų29.21%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-111.5129.6178.2170.168.5000110.7F305 V307 V345 M434 L438 V498F305-L444 HydrophobicContact CB-CB 4.38Å; F305-L444 HydrophobicContact CB-CD1 3.72Å; F305-L444 WeakPolarHBondContact O-CA 3.41Å; V307-L444 HydrophobicContact CB-CD1 4.13Å; V307-L444 HydrophobicContact CG2-CD1 3.54Å; V307-L444 HydrophobicContact CG2-CD2 4.35Å; V345-L444 HydrophobicContact CG2-CD1 4.33Å; M434-L444 HydrophobicContact CE-CD2 3.93Å; M434-L444 HydrophobicContact SD-CD2 3.89Å; L438-L444 HydrophobicContact CD2-CB 3.77Å; L444-V498 HydrophobicContact CB-CB 4.2Å; L444-V498 PolarHBondContact N-O 2.87Å; L444-V498 PolarHBondContact O-N 3.19Å
445L98.9Very high97.7Very high0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-90128.2169.2-56.5178000109.8F305 V307 V330 V331 L334 V495 Q496 V497F305-L445 PolarHBondContact O-N 2.7Å; V307-L445 PolarHBondContact N-O 3.46Å; V330-L445 HydrophobicContact CG1-CD1 3.74Å; V330-L445 HydrophobicContact CG1-CD2 4.43Å; V331-L445 HydrophobicContact CG2-CD1 4.04Å; L334-L445 HydrophobicContact CD1-CD1 3.99Å; L445-V495 HydrophobicContact CB-CG2 4.07Å; L445-V495 HydrophobicContact CD2-CG2 4.26Å; L445-Q496 WeakPolarHBondContact CA-O 3.36Å; L445-V497 HydrophobicContact CD2-CG2 4.2Å
446Y98.7Very high97.5Very high3 Ų330.2 Ų30.21%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-142.4144.3-179.3-167.8-130.7000111.8V307 L350 Y468 L472 Q496V307-Y446 HydrophobicContact CB-CD2 3.76Å; V307-Y446 HydrophobicContact CB-CE2 4.22Å; V307-Y446 HydrophobicContact CG1-CD2 3.66Å; V307-Y446 HydrophobicContact CG1-CE2 3.58Å; L350-Y446 HydrophobicContact CD1-CE2 4.03Å; Y446-Y468 AromaticContact CE1-CD1 3.99Å; Y446-Y468 HydrophobicContact CE1-CD1 3.99Å; Y446-Y468 WeakPolarHBondContact CE1-O 3.26Å; Y446-Y468 HydrophobicContact CE2-CD1 4.24Å; Y446-Y468 HydrophobicContact CE2-CE1 4.43Å; Y446-Y468 AromaticContact CZ-CD1 3.67Å; Y446-L472 HydrophobicContact CD1-CD1 4.1Å; Y446-Q496 PolarHBondContact N-O 3.03Å; Y446-Q496 WeakPolarHBondContact O-CA 3.08Å; Y446-Q496 VanDerWaalsContact O-CB 3.23Å; Y446-Q496 WeakPolarHBondContact O-CB 3.46Å; Y446-Q496 PolarHBondContact O-N 3.28Å
447P98.1Very high97.3Very high4 Ų427.4 Ų27.43%0.02614%0.144CC..  trans-62.2138.5176.3-25.934000112V307 P308 V319 Y468 Q496V307-P447 WeakPolarHBondContact O-CD 3.37Å; P308-P447 WeakPolarHBondContact O-CG 3.28Å; V319-P447 HydrophobicContact CG1-CB 4.36Å; V319-P447 HydrophobicContact CG1-CG 4.27Å; V319-P447 HydrophobicContact CG2-CB 4.39Å; V319-P447 HydrophobicContact CG2-CG 4.17Å; P447-Y468 HydrophobicContact CB-CD1 4.01Å; P447-Y468 HydrophobicContact CB-CE1 4.14Å; P447-Y468 HydrophobicContact CG-CE1 4.38Å; P447-Q496 PolarHBondContact O-NE2 3.38Å
448P96.9Very high97Very high1 Ų128.2 Ų28.21%0.00615%0.147CC..SBendtrans-73.2-31.1174.226.2-31.4000113.3F233 T469 Q496F233-P448 HydrophobicContact CB-CB 3.95Å; F233-P448 HydrophobicContact CB-CG 4.11Å; F233-P448 HydrophobicContact CD1-CB 3.94Å; F233-P448 HydrophobicContact CD1-CG 3.69Å; F233-P448 HydrophobicContact CD2-CB 4.25Å; F233-P448 HydrophobicContact CD2-CG 3.46Å; F233-P448 VanDerWaalsContact CD2-CG 3.46Å; F233-P448 HydrophobicContact CE1-CG 3.95Å; F233-P448 HydrophobicContact CE2-CG 3.73Å; F233-P448 HydrophobicContact CG-CB 3.77Å; F233-P448 HydrophobicContact CG-CG 3.44Å; F233-P448 VanDerWaalsContact CG-CG 3.44Å; F233-P448 HydrophobicContact CZ-CG 3.97Å; P448-T469 WeakPolarHBondContact O-CG2 3.4Å; P448-Q496 HydrophobicContact CB-CG 3.86Å
449H97.5Very high96.8Very high7 Ų728.5 Ų28.53%0.03215%0.149CC..SBendtrans-162.3153.6-174.2-167.4-97.1000107.5F233 F234 L323 R451 D465F233-H449 HydrophobicContact CD1-CB 3.87Å; F233-H449 HydrophobicContact CE1-CB 3.65Å; F234-H449 HydrophobicContact CE1-CB 4.24Å; F234-H449 AromaticContact CE1-CG 3.97Å; F234-H449 AromaticContact CE1-ND1 3.96Å; F234-H449 AromaticContact CZ-CD2 3.94Å; F234-H449 AromaticContact CZ-CG 3.91Å; F234-H449 AromaticContact CZ-ND1 3.93Å; L323-H449 VanDerWaalsContact CD1-O 3.31Å; L323-H449 WeakPolarHBondContact CD1-O 3.44Å; H449-R451 PolarHBondContact ND1-N 3Å; H449-R451 PolarHBondContact ND1-O 3.39Å; H449-R451 PolarHBondContact O-N 2.93Å; H449-D465 WeakPolarHBondContact NE2-CB 3.34Å
450P96.4Very high96.5Very high0 Ų029.2 Ų29.20%014%0.144CC..SBendtrans-71.1-14.4-17926.2-35.5000114.3Y317 V319 S320 D465 Y468Y317-P450 VanDerWaalsContact O-CB 3.27Å; Y317-P450 WeakPolarHBondContact O-CB 3.42Å; V319-P450 CarbonylContact C-O 2.88Å; V319-P450 WeakPolarHBondContact CA-O 3.32Å; S320-P450 PolarHBondContact N-O 3.28Å; P450-D465 HydrophobicContact CG-CB 3.82Å; P450-D465 VanDerWaalsContact CG-CG 3.48Å; P450-Y468 HydrophobicContact CB-CE2 4.15Å; P450-Y468 HydrophobicContact CG-CD2 4.49Å; P450-Y468 HydrophobicContact CG-CE2 4.2Å
451R96.4Very high96.2Very high122 Ų12225.6 Ų25.646%0.4612%0.12SC..SBendtrans-146.1160-179.5-62.7-175.1178-123.5-2.2110.7F233 H449F233-R451 WeakPolarHBondContact CE1-O 3.37Å; H449-R451 PolarHBondContact ND1-N 3Å; H449-R451 PolarHBondContact ND1-O 3.39Å; H449-R451 PolarHBondContact O-N 2.93Å
452V97.5Very high95.7Very high17 Ų1724.4 Ų24.410%0.10311%0.112CC..SBendtrans-58.2170.2165.9-62.30000111.4P454 L491 L493V452-P454 WeakPolarHBondContact O-CD 3.42Å; V452-P454 VanDerWaalsContact O-N 3.09Å; V452-L491 HydrophobicContact CB-CB 4.15Å; V452-L491 HydrophobicContact CB-CD1 4.15Å; V452-L491 HydrophobicContact CG2-CB 4.4Å; V452-L491 HydrophobicContact CG2-CD1 3.71Å; V452-L493 HydrophobicContact CG1-CD2 3.74Å
453A97.6Very high95.2Very high1 Ų125.9 Ų25.91%0.00812%0.121CC..  trans-45.3117.5-176.100000111.6R198 F234R198-A453 HydrophobicContact CB-CB 4.04Å; R198-A453 VanDerWaalsContact CD-O 3.27Å; R198-A453 WeakPolarHBondContact CD-O 3.46Å; R198-A453 PolarHBondContact NH1-O 2.77Å; F234-A453 HydrophobicContact CB-CB 3.88Å; F234-A453 HydrophobicContact CD1-CB 3.82Å; F234-A453 HydrophobicContact CD2-CB 4.32Å; F234-A453 HydrophobicContact CE1-CB 4.44Å; F234-A453 HydrophobicContact CG-CB 3.76Å
454P96Very high94.9Very high25 Ų2527.4 Ų27.416%0.16213%0.128CC..PPolyproline II helixtrans-75.4162.2178.530.7-35.6000111.1R198 I199 V452 H458 P459R198-P454 WeakPolarHBondContact CA-O 3.18Å; I199-P454 HydrophobicContact CD1-CG 3.46Å; I199-P454 VanDerWaalsContact CD1-CG 3.46Å; I199-P454 HydrophobicContact CG1-CG 3.83Å; I199-P454 PolarHBondContact N-O 3.07Å; V452-P454 WeakPolarHBondContact O-CD 3.42Å; V452-P454 VanDerWaalsContact O-N 3.09Å; P454-H458 HydrophobicContact CB-CB 4.23Å; P454-P459 HydrophobicContact CG-CG 3.99Å
455K94.9Very high94.7Very high77 Ų7727.8 Ų27.834%0.33513%0.13SC..BIsolated β-bridgetrans-64.5157.4171.8-66.4-166.7176.7-147.70111.6E197 H457 H458E197-K455 CarbonylContact O-C 3.49Å; E197-K455 VanDerWaalsContact O-CA 3.27Å; E197-K455 WeakPolarHBondContact O-CA 3.5Å; E197-K455 IonicContact OE2-NZ 2.75Å; E197-K455 PolarHBondContact OE2-NZ 3.32Å; K455-H457 PolarHBondContact O-N 3.3Å; K455-H458 VanDerWaalsContact O-CB 3.3Å; K455-H458 WeakPolarHBondContact O-CB 3.33Å; K455-H458 PolarHBondContact O-N 3.44Å
456H94.6Very high94.5Very high31 Ų3129 Ų2914%0.14414%0.135CC..THydrogen-bonded Turntrans-50138.9176.8-74.8-57.7000112.8E181 I189 E197 R198 H458E181-H456 VanDerWaalsContact OE1-CA 3.23Å; E181-H456 WeakPolarHBondContact OE1-CA 3.44Å; E181-H456 WeakPolarHBondContact OE1-CB 3.2Å; E181-H456 IonicContact OE1-CE1 3.47Å; E181-H456 IonicContact OE1-CG 3.58Å; E181-H456 IonicContact OE1-ND1 3.54Å; E181-H456 PolarHBondContact OE1-ND1 3.38Å; I189-H456 HydrophobicContact CD1-CB 4.38Å; I189-H456 WeakPolarHBondContact CD1-ND1 3.21Å; E197-H456 VanDerWaalsContact C-CD2 3.5Å; E197-H456 PolarHBondContact O-CD2 2.88Å; E197-H456 VanDerWaalsContact O-CD2 3.31Å; E197-H456 PolarHBondContact O-N 3.04Å; R198-H456 PolarHBondContact O-CE1 2.85Å; R198-H456 PolarHBondContact O-NE2 2.73Å; H456-H458 PolarHBondContact O-CD2 3.5Å; H456-H458 PolarHBondContact O-N 3.05Å
457H93Very high94.4Very high67 Ų6729 Ų2931%0.3114%0.136SC..THydrogen-bonded Turntrans62.8-9.3-179.3-46.5-40000117.1F25 E181 K455 P459 L460F25-H457 HydrophobicContact CE2-CB 4.43Å; F25-H457 HydrophobicContact CZ-CB 4.09Å; E181-H457 PolarHBondContact OE1-N 2.84Å; E181-H457 VanDerWaalsContact OE1-N 3.08Å; E181-H457 IonicContact OE1-ND1 3.74Å; E181-H457 IonicContact OE2-CE1 3.92Å; E181-H457 IonicContact OE2-ND1 2.65Å; E181-H457 PolarHBondContact OE2-ND1 3.34Å; K455-H457 PolarHBondContact O-N 3.3Å; H457-P459 VanDerWaalsContact C-N 3.28Å; H457-L460 HydrophobicContact CB-CD1 4.11Å; H457-L460 VanDerWaalsContact O-CB 3.28Å; H457-L460 WeakPolarHBondContact O-CB 3.48Å; H457-L460 WeakPolarHBondContact O-CG 3.4Å; H457-L460 PolarHBondContact O-N 2.86Å; H457-L460 VanDerWaalsContact O-N 3.08Å
458H93.3Very high94.3Very high48 Ų4828.9 Ų28.922%0.22214%0.135CC..G310 helixtrans-55.3-35.1172.3-75.2-152.5000113.8F22 F25 P454 K455 H456 L460 F461F22-H458 AromaticContact CE2-CD2 3.86Å; F22-H458 AromaticContact CE2-CE1 3.68Å; F22-H458 AromaticContact CE2-CG 3.8Å; F22-H458 AromaticContact CE2-ND1 3.7Å; F22-H458 AromaticContact CE2-NE2 3.77Å; F22-H458 AromaticContact CZ-CE1 3.62Å; F22-H458 AromaticContact CZ-ND1 3.76Å; F25-H458 AromaticContact CE1-CD2 3.91Å; P454-H458 HydrophobicContact CB-CB 4.23Å; K455-H458 VanDerWaalsContact O-CB 3.3Å; K455-H458 WeakPolarHBondContact O-CB 3.33Å; K455-H458 PolarHBondContact O-N 3.44Å; H456-H458 PolarHBondContact O-CD2 3.5Å; H456-H458 PolarHBondContact O-N 3.05Å; H458-L460 PolarHBondContact O-N 3.48Å; H458-L460 VanDerWaalsContact O-N 3.08Å; H458-F461 WeakPolarHBondContact O-CD2 3.49Å; H458-F461 PolarHBondContact O-N 2.98Å; H458-F461 VanDerWaalsContact O-N 3.09Å
459P93.1Very high94.4Very high7 Ų728.8 Ų28.85%0.04513%0.134CC..G310 helixtrans-58.5-19.5176-26.535000115W179 L180 I199 P454 H457 F461 R462 P463W179-P459 HydrophobicContact CH2-CB 4.28Å; W179-P459 HydrophobicContact CZ2-CB 3.81Å; L180-P459 HydrophobicContact CB-CB 4.32Å; L180-P459 HydrophobicContact CD1-CB 4.17Å; I199-P459 HydrophobicContact CD1-CG 3.79Å; P454-P459 HydrophobicContact CG-CG 3.99Å; H457-P459 VanDerWaalsContact C-N 3.28Å; P459-F461 PolarHBondContact O-N 3.18Å; P459-R462 CarbonylContact O-C 3.58Å; P459-R462 PolarHBondContact O-N 2.71Å; P459-P463 WeakPolarHBondContact O-CA 3.24Å; P459-P463 VanDerWaalsContact O-N 3.08Å
460L91.4Very high94.4Very high47 Ų4728.5 Ų28.525%0.24613%0.133CC..G310 helixtrans-58.1-29.6174.2-71.7172.3000112.8W179 I403 P404 H457 H458W179-L460 HydrophobicContact CH2-CD2 4.19Å; W179-L460 HydrophobicContact CZ2-CD2 3.89Å; W179-L460 HydrophobicContact CZ2-CG 4.22Å; I403-L460 HydrophobicContact CG2-CD2 4.16Å; P404-L460 HydrophobicContact CG-CD2 3.76Å; H457-L460 HydrophobicContact CB-CD1 4.11Å; H457-L460 VanDerWaalsContact O-CB 3.28Å; H457-L460 WeakPolarHBondContact O-CB 3.48Å; H457-L460 WeakPolarHBondContact O-CG 3.4Å; H457-L460 PolarHBondContact O-N 2.86Å; H457-L460 VanDerWaalsContact O-N 3.08Å; H458-L460 PolarHBondContact O-N 3.48Å; H458-L460 VanDerWaalsContact O-N 3.08Å
461F90.6Very high94.4Very high28 Ų2828.5 Ų28.512%0.12313%0.133CC..G310 helixtrans-91.7-11.4-178.7-53-78.4000112.5T18 F21 F22 F25 H458 P459T18-F461 WeakPolarHBondContact CB-O 3.39Å; T18-F461 WeakPolarHBondContact CG2-O 3.37Å; F21-F461 HydrophobicContact CB-CD1 4.18Å; F21-F461 HydrophobicContact CB-CE1 3.81Å; F22-F461 HydrophobicContact CB-CB 4.3Å; F22-F461 HydrophobicContact CB-CD1 3.94Å; F22-F461 HydrophobicContact CB-CD2 4.31Å; F22-F461 HydrophobicContact CB-CE1 4.4Å; F22-F461 HydrophobicContact CB-CG 3.9Å; F22-F461 HydrophobicContact CD2-CB 4.39Å; F22-F461 AromaticContact CD2-CD2 3.48Å; F22-F461 HydrophobicContact CD2-CD2 3.48Å; F22-F461 VanDerWaalsContact CD2-CD2 3.48Å; F22-F461 AromaticContact CD2-CE2 3.85Å; F22-F461 HydrophobicContact CD2-CE2 3.85Å; F22-F461 AromaticContact CD2-CG 3.89Å; F22-F461 HydrophobicContact CD2-CG 3.89Å; F22-F461 HydrophobicContact CE2-CD2 4.26Å; F22-F461 HydrophobicContact CG-CD2 4.34Å; F22-F461 HydrophobicContact CG-CG 4.33Å; F25-F461 HydrophobicContact CB-CE1 4.41Å; F25-F461 HydrophobicContact CB-CE2 4.05Å; F25-F461 HydrophobicContact CB-CZ 3.55Å; F25-F461 AromaticContact CD1-CE2 3.94Å; F25-F461 HydrophobicContact CD1-CE2 3.94Å; F25-F461 HydrophobicContact CD1-CZ 4.3Å; F25-F461 HydrophobicContact CD2-CE2 4.35Å; F25-F461 HydrophobicContact CD2-CZ 4.17Å; F25-F461 AromaticContact CG-CE2 3.84Å; F25-F461 HydrophobicContact CG-CE2 3.84Å; F25-F461 AromaticContact CG-CZ 3.75Å; F25-F461 HydrophobicContact CG-CZ 3.75Å; H458-F461 WeakPolarHBondContact O-CD2 3.49Å; H458-F461 PolarHBondContact O-N 2.98Å; H458-F461 VanDerWaalsContact O-N 3.09Å; P459-F461 PolarHBondContact O-N 3.18Å
462R88.3Confident94.5Very high25 Ų2522.7 Ų22.79%0.09411%0.111CC..  trans-144.160.6-177.8-63.3-70.9-177.7175.3-3.2110.9Y317 P459 F464Y317-R462 HydrophobicContact CD2-CG 4.04Å; Y317-R462 HydrophobicContact CE2-CB 4.24Å; Y317-R462 HydrophobicContact CE2-CG 3.44Å; Y317-R462 VanDerWaalsContact CE2-CG 3.44Å; Y317-R462 VanDerWaalsContact CZ-NE 3.34Å; Y317-R462 PolarHBondContact OH-NE 2.91Å; P459-R462 CarbonylContact O-C 3.58Å; P459-R462 PolarHBondContact O-N 2.71Å; R462-F464 PolarHBondContact O-N 3.27Å; R462-F464 VanDerWaalsContact O-N 3.11Å
463P89.1Confident94.6Very high32 Ų3221.9 Ų21.921%0.20811%0.106CC..THydrogen-bonded Turntrans-71-10.5-170.929.9-37.1000113.4W179 P459 F466W179-P463 HydrophobicContact CH2-CB 4.04Å; W179-P463 HydrophobicContact CZ3-CB 3.99Å; P459-P463 WeakPolarHBondContact O-CA 3.24Å; P459-P463 VanDerWaalsContact O-N 3.08Å; P463-F466 WeakPolarHBondContact O-CD1 3.43Å; P463-F466 WeakPolarHBondContact O-CE1 3.31Å
464F92.1Very high94.6Very high33 Ų3322 Ų2215%0.14511%0.107CC..THydrogen-bonded Turntrans-99.53.5-171.3-50.5-58.4000114.1F14 Y315 S316 F354 R462 F466 A467F14-F464 HydrophobicContact CE1-CD2 4.41Å; F14-F464 HydrophobicContact CE1-CE2 4.4Å; F14-F464 AromaticContact CE2-CE2 3.83Å; F14-F464 HydrophobicContact CE2-CE2 3.83Å; F14-F464 AromaticContact CZ-CD2 3.88Å; F14-F464 HydrophobicContact CZ-CD2 3.88Å; F14-F464 AromaticContact CZ-CE2 3.57Å; F14-F464 HydrophobicContact CZ-CE2 3.57Å; Y315-F464 HydrophobicContact CD1-CD2 4.46Å; Y315-F464 HydrophobicContact CD1-CE2 4.48Å; Y315-F464 HydrophobicContact CG-CD2 4.44Å; S316-F464 PolarHBondContact OG-O 3.16Å; F354-F464 AromaticContact CD1-CD1 3.92Å; F354-F464 HydrophobicContact CD1-CD1 3.92Å; F354-F464 HydrophobicContact CD1-CE1 4.13Å; F354-F464 HydrophobicContact CD1-CG 4.48Å; F354-F464 AromaticContact CD2-CD1 3.5Å; F354-F464 HydrophobicContact CD2-CD1 3.5Å; F354-F464 HydrophobicContact CD2-CE1 4.11Å; F354-F464 HydrophobicContact CD2-CG 4.37Å; F354-F464 AromaticContact CE1-CD1 3.84Å; F354-F464 HydrophobicContact CE1-CD1 3.84Å; F354-F464 AromaticContact CE1-CE1 3.58Å; F354-F464 HydrophobicContact CE1-CE1 3.58Å; F354-F464 HydrophobicContact CE1-CZ 4.27Å; F354-F464 AromaticContact CE2-CD1 3.41Å; F354-F464 HydrophobicContact CE2-CD1 3.41Å; F354-F464 VanDerWaalsContact CE2-CD1 3.41Å; F354-F464 AromaticContact CE2-CE1 3.57Å; F354-F464 HydrophobicContact CE2-CE1 3.57Å; F354-F464 HydrophobicContact CG-CB 4.46Å; F354-F464 AromaticContact CG-CD1 3.77Å; F354-F464 HydrophobicContact CG-CD1 3.77Å; F354-F464 HydrophobicContact CG-CE1 4.38Å; F354-F464 HydrophobicContact CG-CG 4.32Å; F354-F464 AromaticContact CZ-CD1 3.6Å; F354-F464 HydrophobicContact CZ-CD1 3.6Å; F354-F464 AromaticContact CZ-CE1 3.28Å; F354-F464 HydrophobicContact CZ-CE1 3.28Å; F354-F464 HydrophobicContact CZ-CZ 4.28Å; R462-F464 PolarHBondContact O-N 3.27Å; R462-F464 VanDerWaalsContact O-N 3.11Å; F464-F466 PolarHBondContact O-N 3.48Å; F464-A467 WeakPolarHBondContact O-CB 3.49Å; F464-A467 PolarHBondContact O-N 2.67Å
465D93.8Very high94.7Very high8 Ų820.9 Ų20.94%0.04310%0.099CC..THydrogen-bonded Turntrans-66.5-18179.7-75.4-19.3000112.6S316 Y317 H449 P450 A467S316-D465 VanDerWaalsContact CA-OD1 3.24Å; S316-D465 WeakPolarHBondContact CA-OD1 3.36Å; Y317-D465 WeakPolarHBondContact CD2-OD2 3.29Å; Y317-D465 PolarHBondContact N-OD1 3.25Å; H449-D465 WeakPolarHBondContact NE2-CB 3.34Å; P450-D465 HydrophobicContact CG-CB 3.82Å; P450-D465 VanDerWaalsContact CG-CG 3.48Å; D465-A467 PolarHBondContact O-N 2.93Å; D465-A467 VanDerWaalsContact O-N 3.14Å
466F95.3Very high94.8Very high27 Ų2717.6 Ų17.612%0.1189%0.088CC..THydrogen-bonded Turntrans-64.4-10.8170.182.1-85.2000113.8L180 I230 F354 W357 P463 F464 Y468 T469 G470L180-F466 HydrophobicContact CD1-CB 4.5Å; L180-F466 HydrophobicContact CD2-CB 3.81Å; L180-F466 HydrophobicContact CG-CB 4.4Å; I230-F466 HydrophobicContact CD1-CB 3.96Å; F354-F466 AromaticContact CD2-CE1 3.94Å; F354-F466 HydrophobicContact CD2-CE1 3.94Å; F354-F466 AromaticContact CD2-CZ 3.74Å; F354-F466 HydrophobicContact CD2-CZ 3.74Å; F354-F466 HydrophobicContact CE2-CE1 4.16Å; F354-F466 AromaticContact CE2-CZ 3.97Å; F354-F466 HydrophobicContact CE2-CZ 3.97Å; W357-F466 AromaticContact CD2-CE2 3.66Å; W357-F466 HydrophobicContact CD2-CE2 3.66Å; W357-F466 HydrophobicContact CD2-CZ 4.08Å; W357-F466 AromaticContact CE2-CE2 3.84Å; W357-F466 AromaticContact CE3-CE2 3.88Å; W357-F466 HydrophobicContact CE3-CE2 3.88Å; W357-F466 AromaticContact CE3-CZ 3.79Å; W357-F466 HydrophobicContact CE3-CZ 3.79Å; W357-F466 HydrophobicContact CG-CE2 4.08Å; W357-F466 HydrophobicContact CH2-CE2 4.43Å; W357-F466 HydrophobicContact CH2-CZ 4.48Å; W357-F466 HydrophobicContact CZ2-CE2 4.22Å; W357-F466 HydrophobicContact CZ3-CE2 4.27Å; W357-F466 HydrophobicContact CZ3-CZ 4.03Å; P463-F466 WeakPolarHBondContact O-CD1 3.43Å; P463-F466 WeakPolarHBondContact O-CE1 3.31Å; F464-F466 PolarHBondContact O-N 3.48Å; F466-Y468 PolarHBondContact O-N 2.73Å; F466-Y468 VanDerWaalsContact O-N 3.12Å; F466-T469 PolarHBondContact O-N 3.14Å; F466-T469 PolarHBondContact O-OG1 3.21Å; F466-G470 PolarHBondContact O-N 2.94Å
467A95.6Very high95Very high3 Ų316.2 Ų16.23%0.0258%0.081CC..Hα-helixtrans-58.6-26.8-179.700000112.8F354 F464 D465 T469 I471F354-A467 HydrophobicContact CB-CB 4.16Å; F464-A467 WeakPolarHBondContact O-CB 3.49Å; F464-A467 PolarHBondContact O-N 2.67Å; D465-A467 PolarHBondContact O-N 2.93Å; D465-A467 VanDerWaalsContact O-N 3.14Å; A467-T469 PolarHBondContact O-N 3.12Å; A467-I471 WeakPolarHBondContact O-CG2 3.4Å; A467-I471 PolarHBondContact O-N 2.93Å
468Y97.1Very high95.3Very high0 Ų013 Ų130%07%0.066CC..Hα-helixtrans-61-27.5172.7-79.9-98000113.2D310 V319 Y446 P447 P450 F466 Q496D310-Y468 HydrophobicContact CB-CE1 3.95Å; D310-Y468 HydrophobicContact CB-CE2 4.01Å; D310-Y468 VanDerWaalsContact CG-OH 3.31Å; D310-Y468 PolarHBondContact N-OH 2.96Å; D310-Y468 PolarHBondContact OD1-OH 3.1Å; V319-Y468 HydrophobicContact CG2-CE1 3.81Å; V319-Y468 WeakPolarHBondContact CG2-OH 3.09Å; Y446-Y468 AromaticContact CE1-CD1 3.99Å; Y446-Y468 HydrophobicContact CE1-CD1 3.99Å; Y446-Y468 WeakPolarHBondContact CE1-O 3.26Å; Y446-Y468 HydrophobicContact CE2-CD1 4.24Å; Y446-Y468 HydrophobicContact CE2-CE1 4.43Å; Y446-Y468 AromaticContact CZ-CD1 3.67Å; P447-Y468 HydrophobicContact CB-CD1 4.01Å; P447-Y468 HydrophobicContact CB-CE1 4.14Å; P447-Y468 HydrophobicContact CG-CE1 4.38Å; P450-Y468 HydrophobicContact CB-CE2 4.15Å; P450-Y468 HydrophobicContact CG-CD2 4.49Å; P450-Y468 HydrophobicContact CG-CE2 4.2Å; F466-Y468 PolarHBondContact O-N 2.73Å; F466-Y468 VanDerWaalsContact O-N 3.12Å; Y468-Q496 PolarHBondContact O-NE2 3.17Å; Y468-Q496 VanDerWaalsContact O-NE2 3.08Å
469T98.1Very high95.6Very high0 Ų010.7 Ų10.70%06%0.056CC..Hα-helixtrans-101.2-41.417742.40000111.7G225 G226 R229 I230 P448 F466 A467 I471 L472 N473G225-T469 WeakPolarHBondContact O-CB 3.35Å; G225-T469 PolarHBondContact O-OG1 3.22Å; G226-T469 VanDerWaalsContact CA-CB 3.43Å; G226-T469 WeakPolarHBondContact CA-OG1 3.47Å; R229-T469 HydrophobicContact CB-CG2 4.07Å; R229-T469 VanDerWaalsContact NH1-CA 3.28Å; R229-T469 PolarHBondContact NH1-O 3.23Å; R229-T469 PolarHBondContact NH2-O 3.19Å; I230-T469 WeakPolarHBondContact CD1-OG1 3.39Å; I230-T469 HydrophobicContact CG1-CG2 3.96Å; P448-T469 WeakPolarHBondContact O-CG2 3.4Å; F466-T469 PolarHBondContact O-N 3.14Å; F466-T469 PolarHBondContact O-OG1 3.21Å; A467-T469 PolarHBondContact O-N 3.12Å; T469-I471 PolarHBondContact O-N 2.75Å; T469-L472 PolarHBondContact O-N 3.06Å; T469-L472 VanDerWaalsContact O-N 3.16Å; T469-N473 PolarHBondContact O-OD1 3.16Å; T469-N473 VanDerWaalsContact O-OD1 3.08Å
470G97.4Very high95.8Very high0 Ų010.4 Ų10.40%05%0.054CC..Hα-helixtrans-61.7-37.2-173.200000114.2G225 F466 L472 N473 I474G225-G470 PolarHBondContact O-N 3.32Å; F466-G470 PolarHBondContact O-N 2.94Å; G470-L472 PolarHBondContact O-N 3.24Å; G470-N473 WeakPolarHBondContact O-CB 3.32Å; G470-N473 PolarHBondContact O-N 3.06Å; G470-I474 PolarHBondContact O-N 2.89Å
471I97.8Very high96.2Very high0 Ų08.1 Ų8.10%04%0.042CC..Hα-helixtrans-59.7-37178-170.354.6000112.3L350 S353 I356 L430 A467 T469 N473 I474 L475L350-I471 HydrophobicContact CD2-CG1 4.07Å; L350-I471 HydrophobicContact CD2-CG2 3.97Å; S353-I471 WeakPolarHBondContact OG-CB 3.43Å; I356-I471 HydrophobicContact CB-CD1 4.01Å; I356-I471 HydrophobicContact CD1-CD1 4Å; I356-I471 HydrophobicContact CG2-CD1 3.61Å; L430-I471 HydrophobicContact CD2-CD1 3.87Å; L430-I471 HydrophobicContact CD2-CG1 3.71Å; A467-I471 WeakPolarHBondContact O-CG2 3.4Å; A467-I471 PolarHBondContact O-N 2.93Å; T469-I471 PolarHBondContact O-N 2.75Å; I471-N473 VanDerWaalsContact C-N 3.28Å; I471-N473 PolarHBondContact O-N 3.28Å; I471-I474 PolarHBondContact O-N 3.39Å; I471-I474 VanDerWaalsContact O-N 3.17Å; I471-L475 HydrophobicContact CG1-CD1 4.35Å; I471-L475 HydrophobicContact CG1-CG 4.43Å; I471-L475 VanDerWaalsContact O-CG 3.31Å; I471-L475 WeakPolarHBondContact O-CG 3.45Å; I471-L475 PolarHBondContact O-N 3.49Å
472L98.5Very high96.6Very high1 Ų16.8 Ų6.81%0.0054%0.036CC..Hα-helixtrans-70.5-23.1179.7-57.5178.5000112.7Y446 T469 G470 L475 G476 L477 V479 V498Y446-L472 HydrophobicContact CD1-CD1 4.1Å; T469-L472 PolarHBondContact O-N 3.06Å; T469-L472 VanDerWaalsContact O-N 3.16Å; G470-L472 PolarHBondContact O-N 3.24Å; L472-L475 HydrophobicContact CD2-CD1 4.45Å; L472-G476 PolarHBondContact O-N 3.38Å; L472-L477 HydrophobicContact CD2-CD1 4.19Å; L472-L477 PolarHBondContact O-N 3.47Å; L472-V479 HydrophobicContact CB-CG2 4.01Å; L472-V479 HydrophobicContact CD1-CG1 4.44Å; L472-V479 HydrophobicContact CD1-CG2 3.77Å; L472-V479 HydrophobicContact CG-CG2 4.49Å; L472-V498 HydrophobicContact CD1-CG2 3.61Å; L472-V498 HydrophobicContact CD2-CG1 4.32Å; L472-V498 HydrophobicContact CD2-CG2 4.47Å
473N98.4Very high97.1Very high0 Ų05.7 Ų5.70%03%0.032CC..Hα-helixtrans-67-49.7168.1-61.882.1000110.6D223 I224 R229 K241 Y263 T469 G470 I471 L475 G476D223-N473 PolarHBondContact O-ND2 3.44Å; D223-N473 VanDerWaalsContact O-ND2 3.1Å; D223-N473 PolarHBondContact OD1-ND2 3.48Å; D223-N473 PolarHBondContact OD1-OD1 3.04Å; I224-N473 VanDerWaalsContact C-ND2 3.25Å; I224-N473 VanDerWaalsContact CA-ND2 3.31Å; I224-N473 WeakPolarHBondContact CA-ND2 3.49Å; I224-N473 WeakPolarHBondContact O-CB 3.48Å; I224-N473 PolarHBondContact O-ND2 2.88Å; R229-N473 PolarHBondContact NH2-OD1 3.36Å; K241-N473 WeakPolarHBondContact CD-ND2 3.34Å; Y263-N473 WeakPolarHBondContact CD1-O 3.37Å; T469-N473 PolarHBondContact O-OD1 3.16Å; T469-N473 VanDerWaalsContact O-OD1 3.08Å; G470-N473 WeakPolarHBondContact O-CB 3.32Å; G470-N473 PolarHBondContact O-N 3.06Å; I471-N473 VanDerWaalsContact C-N 3.28Å; I471-N473 PolarHBondContact O-N 3.28Å; N473-L475 PolarHBondContact O-N 3.25Å; N473-G476 WeakPolarHBondContact O-CA 3.39Å; N473-G476 PolarHBondContact O-N 3.49Å
474I98.2Very high97.5Very high3 Ų35 Ų52%0.0153%0.027CC..Hα-helixtrans-62.7-32.3-179.1-55.7-52.1000111.8Y263 I356 W357 Y360 M361 K427 G470 I471 G476Y263-I474 HydrophobicContact CD1-CD1 4.07Å; Y263-I474 HydrophobicContact CD2-CD1 4.01Å; Y263-I474 HydrophobicContact CE1-CD1 4.45Å; Y263-I474 HydrophobicContact CE1-CG2 4.36Å; Y263-I474 WeakPolarHBondContact CE1-O 3.27Å; Y263-I474 HydrophobicContact CE2-CD1 4.43Å; Y263-I474 HydrophobicContact CG-CD1 3.85Å; I356-I474 HydrophobicContact CG2-CB 4.43Å; I356-I474 HydrophobicContact CG2-CG2 3.86Å; W357-I474 HydrophobicContact CB-CG1 4.21Å; W357-I474 HydrophobicContact CG-CD1 4.43Å; W357-I474 HydrophobicContact CG-CG1 4.34Å; Y360-I474 HydrophobicContact CD1-CG2 4.31Å; Y360-I474 HydrophobicContact CD2-CG2 4.05Å; Y360-I474 HydrophobicContact CG-CG2 3.83Å; M361-I474 HydrophobicContact CG-CD1 4.47Å; K427-I474 HydrophobicContact CG-CG2 4.15Å; G470-I474 PolarHBondContact O-N 2.89Å; I471-I474 PolarHBondContact O-N 3.39Å; I471-I474 VanDerWaalsContact O-N 3.17Å; I474-G476 PolarHBondContact O-N 2.83Å
475L98.2Very high97.6Very high1 Ų13.8 Ų3.81%0.0052%0.024CC..THydrogen-bonded Turntrans-76.3-10.6174.6-61-178.7000113.7L430 Q431 M434 I471 L472 N473 L477 K501L430-L475 HydrophobicContact CD2-CD1 4.06Å; L430-L475 HydrophobicContact CD2-CD2 4.35Å; L430-L475 HydrophobicContact CG-CD1 4.03Å; L430-L475 HydrophobicContact CG-CD2 4.22Å; Q431-L475 HydrophobicContact CB-CD2 4.07Å; Q431-L475 PolarHBondContact NE2-O 3.47Å; Q431-L475 VanDerWaalsContact OE1-CA 3.31Å; Q431-L475 VanDerWaalsContact OE1-CD2 3.23Å; M434-L475 HydrophobicContact CB-CD1 4.45Å; M434-L475 HydrophobicContact CG-CD1 3.95Å; I471-L475 HydrophobicContact CG1-CD1 4.35Å; I471-L475 HydrophobicContact CG1-CG 4.43Å; I471-L475 VanDerWaalsContact O-CG 3.31Å; I471-L475 WeakPolarHBondContact O-CG 3.45Å; I471-L475 PolarHBondContact O-N 3.49Å; L472-L475 HydrophobicContact CD2-CD1 4.45Å; N473-L475 PolarHBondContact O-N 3.25Å; L475-L477 VanDerWaalsContact C-N 3.27Å; L475-L477 HydrophobicContact CB-CD1 3.91Å; L475-L477 HydrophobicContact CB-CG 3.84Å; L475-L477 HydrophobicContact CD1-CD1 4.02Å; L475-L477 PolarHBondContact O-N 3.43Å; L475-K501 WeakPolarHBondContact O-CE 3.21Å
476G97.9Very high97.8Very high9 Ų96.9 Ų6.99%0.0934%0.04CC..THydrogen-bonded Turntrans68.421.2-179.400000114.3P244 L472 N473 I474P244-G476 WeakPolarHBondContact CD-O 3.36Å; L472-G476 PolarHBondContact O-N 3.38Å; N473-G476 WeakPolarHBondContact O-CA 3.39Å; N473-G476 PolarHBondContact O-N 3.49Å; I474-G476 PolarHBondContact O-N 2.83Å
477L98.6Very high97.8Very high1 Ų16.4 Ų6.41%0.0054%0.042CC..  trans-86.2139.3-173.3-60.8174.2000111.3K241 M434 L438 L472 L475 V498 K501K241-L477 WeakPolarHBondContact CE-O 3.45Å; K241-L477 PolarHBondContact NZ-O 2.97Å; M434-L477 HydrophobicContact CB-CD1 4.35Å; L438-L477 HydrophobicContact CD1-CD1 3.87Å; L438-L477 HydrophobicContact CD1-CD2 4.01Å; L472-L477 HydrophobicContact CD2-CD1 4.19Å; L472-L477 PolarHBondContact O-N 3.47Å; L475-L477 VanDerWaalsContact C-N 3.27Å; L475-L477 HydrophobicContact CB-CD1 3.91Å; L475-L477 HydrophobicContact CB-CG 3.84Å; L475-L477 HydrophobicContact CD1-CD1 4.02Å; L475-L477 PolarHBondContact O-N 3.43Å; L477-V498 HydrophobicContact CB-CG1 3.89Å; L477-V498 HydrophobicContact CD1-CG1 3.86Å; L477-V498 HydrophobicContact CG-CG1 4.48Å; L477-K501 HydrophobicContact CD2-CG 4.18Å
478P98.7Very high97.7Very high0 Ų014.9 Ų14.90%08%0.081CC..  trans-70.7143.7170.230.2-35.4000111.4K241 T243 A499 G500 D504K241-P478 WeakPolarHBondContact O-CA 3.47Å; T243-P478 WeakPolarHBondContact OG1-CD 3.4Å; P478-A499 WeakPolarHBondContact CD-O 3.36Å; P478-A499 HydrophobicContact CG-CB 4.43Å; P478-A499 PolarHBondContact O-N 2.94Å; P478-G500 WeakPolarHBondContact CD-O 3.23Å; P478-G500 WeakPolarHBondContact CG-O 3.45Å; P478-D504 HydrophobicContact CB-CB 4.14Å; P478-D504 WeakPolarHBondContact CB-OD1 3.16Å; P478-D504 WeakPolarHBondContact CB-OD2 3.31Å
479V98.9Very high97.4Very high0 Ų020.8 Ų20.80%011%0.109CC..EExtended strand (participates in β ladder)trans-144128-174.9-174.80000111R229 H240 K241 L472 Q496 V497 V498R229-V479 HydrophobicContact CG-CG1 4.45Å; H240-V479 WeakPolarHBondContact CA-O 3.39Å; H240-V479 PolarHBondContact ND1-O 2.92Å; K241-V479 HydrophobicContact CB-CB 4.48Å; K241-V479 PolarHBondContact N-O 2.87Å; K241-V479 PolarHBondContact O-N 3.42Å; L472-V479 HydrophobicContact CB-CG2 4.01Å; L472-V479 HydrophobicContact CD1-CG1 4.44Å; L472-V479 HydrophobicContact CD1-CG2 3.77Å; L472-V479 HydrophobicContact CG-CG2 4.49Å; V479-Q496 HydrophobicContact CG1-CB 3.78Å; V479-Q496 HydrophobicContact CG1-CG 4.16Å; V479-V497 CarbonylContact C-O 3.58Å; V479-V497 WeakPolarHBondContact CA-O 3.37Å; V479-V498 HydrophobicContact CG1-CG2 4.17Å; V479-V498 HydrophobicContact CG2-CG1 4.22Å; V479-V498 HydrophobicContact CG2-CG2 4.09Å
480T98.9Very high97.3Very high0 Ų022.3 Ų22.30%012%0.124CC..EExtended strand (participates in β ladder)trans-105.1122.7167.5-53.30000110.5G239 H240 L276 V497 T507 A511G239-T480 CarbonylContact O-C 3.5Å; G239-T480 WeakPolarHBondContact O-CA 3.47Å; H240-T480 PolarHBondContact ND1-OG1 2.92Å; L276-T480 HydrophobicContact CD1-CG2 3.66Å; T480-V497 PolarHBondContact N-O 3.16Å; T480-V497 PolarHBondContact O-N 2.75Å; T480-T507 VanDerWaalsContact OG1-CB 3.29Å; T480-T507 WeakPolarHBondContact OG1-CB 3.33Å; T480-T507 PolarHBondContact OG1-OG1 3.24Å; T480-A511 HydrophobicContact CG2-CB 3.77Å
481Q98.9Very high97.3Very high0 Ų022.4 Ų22.40%013%0.125CC..EExtended strand (participates in β ladder)trans-79.7125.8167.8177.455.927.600109.9R229 C232 F233 F238 G239 V495R229-Q481 HydrophobicContact CB-CB 4.18Å; R229-Q481 HydrophobicContact CG-CB 4.16Å; C232-Q481 HydrophobicContact CB-CB 4.1Å; C232-Q481 HydrophobicContact CB-CG 3.84Å; F233-Q481 HydrophobicContact CB-CG 4.05Å; F238-Q481 WeakPolarHBondContact CA-O 3.3Å; G239-Q481 PolarHBondContact N-O 3.04Å; G239-Q481 PolarHBondContact O-N 3.14Å; Q481-V495 PolarHBondContact OE1-O 2.86Å
482C98.8Very high97.3Very high0 Ų022.4 Ų22.40%013%0.125CC..EExtended strand (participates in β ladder)trans-120.3121.8-177.9-57.90000110.8F238 G494 V495 A511 L514F238-C482 HydrophobicContact CD1-CB 4.5Å; F238-C482 HydrophobicContact CE1-CB 4.26Å; C482-G494 CarbonylContact O-C 3.53Å; C482-G494 WeakPolarHBondContact O-CA 3.47Å; C482-V495 HydrophobicContact CB-CG1 4.31Å; C482-V495 PolarHBondContact N-O 3.14Å; C482-V495 PolarHBondContact O-N 3.38Å; C482-A511 VanDerWaalsContact SG-CB 3.56Å; C482-L514 HydrophobicContact CB-CD1 3.85Å
483P98.4Very high97.3Very high2 Ų223 Ų231%0.01313%0.128CC..EExtended strand (participates in β ladder)trans-69.2144.4169.528.1-33.1000111.6F238 L493F238-P483 HydrophobicContact CD1-CG 4.42Å; F238-P483 HydrophobicContact CD2-CG 4.03Å; F238-P483 HydrophobicContact CE1-CG 4.13Å; F238-P483 HydrophobicContact CE2-CG 3.71Å; F238-P483 HydrophobicContact CG-CG 4.36Å; F238-P483 HydrophobicContact CZ-CG 3.74Å; P483-L493 WeakPolarHBondContact CA-O 3.43Å
484L97.6Very high97.3Very high17 Ų1723.3 Ų23.39%0.08913%0.131CC..EExtended strand (participates in β ladder)trans-121.724.8-177.2-62.8175.5000112.4A326 V330 L493 V495 F518A326-L484 HydrophobicContact CB-CD1 4.32Å; V330-L484 HydrophobicContact CG2-CD1 3.54Å; V330-L484 HydrophobicContact CG2-CD2 3.64Å; V330-L484 HydrophobicContact CG2-CG 4.25Å; L484-L493 HydrophobicContact CB-CB 4.4Å; L484-L493 PolarHBondContact N-O 3.48Å; L484-V495 HydrophobicContact CD1-CB 3.97Å; L484-V495 HydrophobicContact CD1-CG1 3.89Å; L484-V495 HydrophobicContact CD2-CG1 4.32Å; L484-V495 HydrophobicContact CG-CG1 4.3Å; L484-F518 HydrophobicContact CD2-CB 4.16Å; L484-F518 HydrophobicContact CD2-CD2 3.85Å; L484-F518 HydrophobicContact CD2-CE2 4.43Å; L484-F518 HydrophobicContact CD2-CG 3.91Å
485G95.5Very high97.3Very high8 Ų823.2 Ų23.28%0.08213%0.13CC..EExtended strand (participates in β ladder)trans88-161.5-172.300000113L493G485-L493 PolarHBondContact O-N 3.34Å
486L97.1Very high97.3Very high73 Ų7323.1 Ų23.138%0.38213%0.13SC..EExtended strand (participates in β ladder)trans-106.8148.4-175.6-53.8-178.4000111.4Y194 L491 P492 R522Y194-L486 HydrophobicContact CD1-CD1 4.22Å; Y194-L486 HydrophobicContact CD1-CD2 3.81Å; Y194-L486 HydrophobicContact CE1-CD1 4.1Å; Y194-L486 HydrophobicContact CE1-CD2 3.46Å; Y194-L486 VanDerWaalsContact CE1-CD2 3.46Å; Y194-L486 HydrophobicContact CE1-CG 4.4Å; L486-L491 CarbonylContact C-O 3.48Å; L486-L491 WeakPolarHBondContact CA-O 3.3Å; L486-P492 HydrophobicContact CD2-CB 4.43Å; L486-P492 HydrophobicContact CD2-CG 4Å; L486-R522 HydrophobicContact CD1-CB 4.23Å; L486-R522 HydrophobicContact CD2-CB 4.47Å; L486-R522 HydrophobicContact CG-CB 4.27Å; L486-R522 HydrophobicContact CG-CG 4.23Å
487G95.4Very high97.4Very high16 Ų1622.7 Ų22.717%0.16513%0.126CC..  trans-90-170.8175.700000114.4E322 E489 G490 L491E322-G487 VanDerWaalsContact OE1-C 3.24Å; E322-G487 WeakPolarHBondContact OE1-CA 3.02Å; G487-E489 VanDerWaalsContact C-N 3.28Å; G487-E489 PolarHBondContact O-N 3.12Å; G487-G490 PolarHBondContact O-N 3.06Å; G487-L491 PolarHBondContact N-O 3.28Å
488E92.7Very high97.4Very high182 Ų18222.7 Ų22.785%0.8513%0.125SC*.THydrogen-bonded Turntrans-58.7-37-177.4-67-179-178.900112.5E322 G490E322-E488 PolarHBondContact OE1-N 2.8Å; E488-G490 VanDerWaalsContact C-N 3.25Å; E488-G490 PolarHBondContact O-N 2.92Å
489E92.1Very high97.4Very high124 Ų12422.7 Ų22.758%0.57913%0.125SC*.THydrogen-bonded Turntrans-84.76.8177.9-62.4-176.6-17800113.1R198 G487 L491R198-E489 IonicContact CZ-OE2 3.54Å; R198-E489 IonicContact NH1-OE2 3.82Å; R198-E489 PolarHBondContact NH1-OE2 3Å; R198-E489 IonicContact NH2-OE2 2.64Å; R198-E489 PolarHBondContact NH2-OE2 3.4Å; G487-E489 VanDerWaalsContact C-N 3.28Å; G487-E489 PolarHBondContact O-N 3.12Å; E489-L491 HydrophobicContact CB-CD1 4.35Å; E489-L491 HydrophobicContact CB-CG 4.36Å; E489-L491 PolarHBondContact O-N 2.84Å
490G95Very high97.4Very high31 Ų3122.9 Ų22.932%0.3213%0.128SC..SBendtrans72.712.6-174.500000113.9G487 E488G487-G490 PolarHBondContact O-N 3.06Å; E488-G490 VanDerWaalsContact C-N 3.25Å; E488-G490 PolarHBondContact O-N 2.92Å
491L97.4Very high97.3Very high2 Ų227.2 Ų27.21%0.0115%0.147CC..PPolyproline II helixtrans-93.8149.2179.1-67.6175.5000111.7D195 R198 V452 L486 G487 E489 L493D195-L491 HydrophobicContact CB-CD2 3.91Å; R198-L491 HydrophobicContact CG-CD1 4.31Å; R198-L491 HydrophobicContact CG-CD2 4.16Å; V452-L491 HydrophobicContact CB-CB 4.15Å; V452-L491 HydrophobicContact CB-CD1 4.15Å; V452-L491 HydrophobicContact CG2-CB 4.4Å; V452-L491 HydrophobicContact CG2-CD1 3.71Å; L486-L491 CarbonylContact C-O 3.48Å; L486-L491 WeakPolarHBondContact CA-O 3.3Å; G487-L491 PolarHBondContact N-O 3.28Å; E489-L491 HydrophobicContact CB-CD1 4.35Å; E489-L491 HydrophobicContact CB-CG 4.36Å; E489-L491 PolarHBondContact O-N 2.84Å; L491-L493 PolarHBondContact O-N 2.85Å
492P98.2Very high97.3Very high1 Ų130.4 Ų30.41%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-58.4136.6177.6-29.538.7000114.7Y194 F233 F234 G236 L486Y194-P492 HydrophobicContact CD1-CG 4.4Å; Y194-P492 HydrophobicContact CD2-CG 3.57Å; Y194-P492 HydrophobicContact CE1-CG 4.27Å; Y194-P492 HydrophobicContact CE2-CG 3.43Å; Y194-P492 VanDerWaalsContact CE2-CG 3.43Å; Y194-P492 HydrophobicContact CG-CG 4.05Å; F233-P492 WeakPolarHBondContact O-CB 3.15Å; F234-P492 WeakPolarHBondContact O-CG 3.35Å; G236-P492 VanDerWaalsContact CA-CB 3.49Å; L486-P492 HydrophobicContact CD2-CB 4.43Å; L486-P492 HydrophobicContact CD2-CG 4Å
493L98.4Very high97.2Very high13 Ų1332 Ų327%0.06817%0.171CC..EExtended strand (participates in β ladder)trans-100.7161.6164.8-57.8179.3000109.5E322 L323 A326 V452 P483 L484 G485 L491E322-L493 HydrophobicContact CG-CD1 3.95Å; E322-L493 HydrophobicContact CG-CD2 3.77Å; L323-L493 HydrophobicContact CD2-CD2 3.84Å; A326-L493 HydrophobicContact CB-CD1 4.2Å; V452-L493 HydrophobicContact CG1-CD2 3.74Å; P483-L493 WeakPolarHBondContact CA-O 3.43Å; L484-L493 HydrophobicContact CB-CB 4.4Å; L484-L493 PolarHBondContact N-O 3.48Å; G485-L493 PolarHBondContact O-N 3.34Å; L491-L493 PolarHBondContact O-N 2.85Å
494G98.1Very high97.2Very high6 Ų631.9 Ų31.96%0.06217%0.17CC..EExtended strand (participates in β ladder)trans-176.9169.6-177.200000114.4C482C482-G494 CarbonylContact O-C 3.53Å; C482-G494 WeakPolarHBondContact O-CA 3.47Å
495V98.8Very high97.3Very high1 Ų132 Ų321%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-139.9144.6179.567.70000110.4L445 Q481 C482 L484 V497 L514L445-V495 HydrophobicContact CB-CG2 4.07Å; L445-V495 HydrophobicContact CD2-CG2 4.26Å; Q481-V495 PolarHBondContact OE1-O 2.86Å; C482-V495 HydrophobicContact CB-CG1 4.31Å; C482-V495 PolarHBondContact N-O 3.14Å; C482-V495 PolarHBondContact O-N 3.38Å; L484-V495 HydrophobicContact CD1-CB 3.97Å; L484-V495 HydrophobicContact CD1-CG1 3.89Å; L484-V495 HydrophobicContact CD2-CG1 4.32Å; L484-V495 HydrophobicContact CG-CG1 4.3Å; V495-V497 HydrophobicContact CG1-CG2 4.42Å; V495-L514 HydrophobicContact CG1-CD1 3.95Å
496Q98.8Very high97.4Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-84.2129.1166.6-61.1-173.390.800109.2L445 Y446 P447 P448 Y468 V479 V498L445-Q496 WeakPolarHBondContact CA-O 3.36Å; Y446-Q496 PolarHBondContact N-O 3.03Å; Y446-Q496 WeakPolarHBondContact O-CA 3.08Å; Y446-Q496 VanDerWaalsContact O-CB 3.23Å; Y446-Q496 WeakPolarHBondContact O-CB 3.46Å; Y446-Q496 PolarHBondContact O-N 3.28Å; P447-Q496 PolarHBondContact O-NE2 3.38Å; P448-Q496 HydrophobicContact CB-CG 3.86Å; Y468-Q496 PolarHBondContact O-NE2 3.17Å; Y468-Q496 VanDerWaalsContact O-NE2 3.08Å; V479-Q496 HydrophobicContact CG1-CB 3.78Å; V479-Q496 HydrophobicContact CG1-CG 4.16Å; Q496-V498 HydrophobicContact CB-CG2 4.4Å
497V98.9Very high97.5Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-104.2115.5170.7-174.20000107.7V443 L445 V479 T480 V495 T507 V510 L514V443-V497 HydrophobicContact CG1-CG1 3.42Å; V443-V497 VanDerWaalsContact CG1-CG1 3.42Å; L445-V497 HydrophobicContact CD2-CG2 4.2Å; V479-V497 CarbonylContact C-O 3.58Å; V479-V497 WeakPolarHBondContact CA-O 3.37Å; T480-V497 PolarHBondContact N-O 3.16Å; T480-V497 PolarHBondContact O-N 2.75Å; V495-V497 HydrophobicContact CG1-CG2 4.42Å; V497-T507 HydrophobicContact CG1-CG2 4.06Å; V497-T507 VanDerWaalsContact O-CG2 3.27Å; V497-T507 WeakPolarHBondContact O-CG2 3.3Å; V497-V510 HydrophobicContact CG1-CB 3.9Å; V497-V510 HydrophobicContact CG1-CG1 3.73Å; V497-V510 HydrophobicContact CG1-CG2 4.45Å; V497-V510 HydrophobicContact CG2-CG1 3.98Å; V497-L514 HydrophobicContact CG2-CD1 3.82Å
498V98.9Very high97.7Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-112.9137.6-173.9-172.30000109.4L438 V443 L444 L472 L477 V479 Q496L438-V498 HydrophobicContact CD1-CG1 4.31Å; V443-V498 CarbonylContact C-O 3.5Å; V443-V498 WeakPolarHBondContact CA-O 3.38Å; L444-V498 HydrophobicContact CB-CB 4.2Å; L444-V498 PolarHBondContact N-O 2.87Å; L444-V498 PolarHBondContact O-N 3.19Å; L472-V498 HydrophobicContact CD1-CG2 3.61Å; L472-V498 HydrophobicContact CD2-CG1 4.32Å; L472-V498 HydrophobicContact CD2-CG2 4.47Å; L477-V498 HydrophobicContact CB-CG1 3.89Å; L477-V498 HydrophobicContact CD1-CG1 3.86Å; L477-V498 HydrophobicContact CG-CG1 4.48Å; V479-V498 HydrophobicContact CG1-CG2 4.17Å; V479-V498 HydrophobicContact CG2-CG1 4.22Å; V479-V498 HydrophobicContact CG2-CG2 4.09Å; Q496-V498 HydrophobicContact CB-CG2 4.4Å
499A98.8Very high98Very high0 Ų020.3 Ų20.30%011%0.111CC..EExtended strand (participates in β ladder)trans-128.1174.9173.100000111.5P478 Q503 L506 T507P478-A499 WeakPolarHBondContact CD-O 3.36Å; P478-A499 HydrophobicContact CG-CB 4.43Å; P478-A499 PolarHBondContact O-N 2.94Å; A499-Q503 HydrophobicContact CB-CB 4.07Å; A499-L506 HydrophobicContact CB-CB 4.12Å; A499-L506 HydrophobicContact CB-CD1 4.4Å; A499-T507 HydrophobicContact CB-CG2 3.41Å; A499-T507 VanDerWaalsContact CB-CG2 3.41Å
500G98.5Very high98.3Very high5 Ų514.4 Ų14.45%0.0528%0.084CC..SBendtrans-61.6159.3172.900000112.5P478 L502 Q503P478-G500 WeakPolarHBondContact CD-O 3.23Å; P478-G500 WeakPolarHBondContact CG-O 3.45Å; G500-L502 PolarHBondContact O-N 2.75Å; G500-Q503 VanDerWaalsContact O-CB 3.26Å; G500-Q503 WeakPolarHBondContact O-CB 3.2Å; G500-Q503 PolarHBondContact O-N 3.39Å
501K97.4Very high98.5Very high91 Ų9113 Ų1340%0.3967%0.068SC..THydrogen-bonded Turntrans-52.7135.8177-67.2177.2177.6161.80110.7Q431 E435 L475 L477 Q503Q431-K501 VanDerWaalsContact NE2-NZ 3.15Å; E435-K501 IonicContact OE1-NZ 3.49Å; E435-K501 PolarHBondContact OE1-NZ 3.46Å; L475-K501 WeakPolarHBondContact O-CE 3.21Å; L477-K501 HydrophobicContact CD2-CG 4.18Å; K501-Q503 PolarHBondContact O-N 2.92Å; K501-Q503 VanDerWaalsContact O-N 3.11Å
502L97.8Very high98.5Very high67 Ų6716.6 Ų16.635%0.3519%0.087SC..THydrogen-bonded Turntrans62.37.7-177.2-52.9174.4000115.2T243 V246 K290 L291 G500 D504T243-L502 HydrophobicContact CG2-CD2 3.7Å; T243-L502 HydrophobicContact CG2-CG 4.24Å; T243-L502 PolarHBondContact OG1-N 3.18Å; V246-L502 HydrophobicContact CG2-CD2 4.12Å; K290-L502 HydrophobicContact CB-CD2 4.41Å; L291-L502 HydrophobicContact CD2-CB 4.05Å; L291-L502 HydrophobicContact CD2-CD2 3.83Å; G500-L502 PolarHBondContact O-N 2.75Å; L502-D504 VanDerWaalsContact C-N 3.3Å; L502-D504 WeakPolarHBondContact CA-OD2 3.36Å
503Q98.4Very high98.5Very high33 Ų3318 Ų1815%0.1549%0.093CC..  trans-95.927.5174-51-52.2-50.800112.1A499 G500 K501 H505 L506A499-Q503 HydrophobicContact CB-CB 4.07Å; G500-Q503 VanDerWaalsContact O-CB 3.26Å; G500-Q503 WeakPolarHBondContact O-CB 3.2Å; G500-Q503 PolarHBondContact O-N 3.39Å; K501-Q503 PolarHBondContact O-N 2.92Å; K501-Q503 VanDerWaalsContact O-N 3.11Å; Q503-H505 PolarHBondContact O-N 2.89Å; Q503-H505 PolarHBondContact O-ND1 2.63Å; Q503-H505 PolarHBondContact OE1-CE1 2.6Å; Q503-L506 HydrophobicContact CB-CD1 3.86Å; Q503-L506 HydrophobicContact CB-CG 4.06Å; Q503-L506 WeakPolarHBondContact O-CB 3.22Å; Q503-L506 WeakPolarHBondContact O-CG 3.22Å; Q503-L506 PolarHBondContact O-N 3.11Å
504D98.6Very high98.6Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-47.7-40.5-177.8-60.8-130.1000112.5H240 T242 T243 L280 L291 P478 L502 L506 T507 L508H240-D504 IonicContact CE1-OD1 3.36Å; H240-D504 IonicContact NE2-OD1 2.97Å; H240-D504 PolarHBondContact NE2-OD1 2.72Å; T242-D504 VanDerWaalsContact CA-OD1 3.24Å; T242-D504 WeakPolarHBondContact CA-OD1 3.43Å; T243-D504 PolarHBondContact N-OD1 3.35Å; T243-D504 PolarHBondContact OG1-OD2 3.04Å; L280-D504 HydrophobicContact CD2-CB 4.13Å; L291-D504 HydrophobicContact CD1-CB 4.11Å; L291-D504 HydrophobicContact CD2-CB 4.25Å; L291-D504 WeakPolarHBondContact CD2-OD2 3.34Å; P478-D504 HydrophobicContact CB-CB 4.14Å; P478-D504 WeakPolarHBondContact CB-OD1 3.16Å; P478-D504 WeakPolarHBondContact CB-OD2 3.31Å; L502-D504 VanDerWaalsContact C-N 3.3Å; L502-D504 WeakPolarHBondContact CA-OD2 3.36Å; D504-L506 PolarHBondContact O-N 3.11Å; D504-L506 VanDerWaalsContact O-N 3.11Å; D504-T507 PolarHBondContact O-N 3.46Å; D504-T507 VanDerWaalsContact O-N 3.14Å; D504-T507 PolarHBondContact O-OG1 3.18Å; D504-L508 WeakPolarHBondContact O-CG 3.48Å; D504-L508 PolarHBondContact O-N 2.93Å
505H98.4Very high98.6Very high20 Ų2018.7 Ų18.79%0.0939%0.094CC..Hα-helixtrans-54.9-29.1177.272-51.9000114.8S292 L293 V297 Q503 L508 A509S292-H505 PolarHBondContact O-CD2 3.41Å; L293-H505 HydrophobicContact CD2-CB 4.35Å; V297-H505 VanDerWaalsContact CG2-CD2 3.45Å; V297-H505 WeakPolarHBondContact CG2-CD2 3.3Å; Q503-H505 PolarHBondContact O-N 2.89Å; Q503-H505 PolarHBondContact O-ND1 2.63Å; Q503-H505 PolarHBondContact OE1-CE1 2.6Å; H505-L508 PolarHBondContact O-N 2.71Å; H505-A509 WeakPolarHBondContact O-CB 3.27Å; H505-A509 PolarHBondContact O-N 2.95Å
506L98.8Very high98.5Very high6 Ų627.9 Ų27.93%0.03113%0.134CC..Hα-helixtrans-67.7-45.6178.1-59.2-173.1000111.4V297 L302 V443 A499 Q503 D504 L508 A509 V510V297-L506 HydrophobicContact CG1-CD2 3.74Å; V297-L506 HydrophobicContact CG2-CD2 3.94Å; L302-L506 HydrophobicContact CD2-CD1 4.3Å; L302-L506 HydrophobicContact CD2-CD2 3.87Å; V443-L506 HydrophobicContact CG2-CB 4.17Å; A499-L506 HydrophobicContact CB-CB 4.12Å; A499-L506 HydrophobicContact CB-CD1 4.4Å; Q503-L506 HydrophobicContact CB-CD1 3.86Å; Q503-L506 HydrophobicContact CB-CG 4.06Å; Q503-L506 WeakPolarHBondContact O-CB 3.22Å; Q503-L506 WeakPolarHBondContact O-CG 3.22Å; Q503-L506 PolarHBondContact O-N 3.11Å; D504-L506 PolarHBondContact O-N 3.11Å; D504-L506 VanDerWaalsContact O-N 3.11Å; L506-L508 VanDerWaalsContact C-N 3.26Å; L506-L508 PolarHBondContact O-N 3.29Å; L506-A509 PolarHBondContact O-N 3.36Å; L506-V510 WeakPolarHBondContact O-CG2 3.47Å; L506-V510 PolarHBondContact O-N 3.17Å
507T98.7Very high98.5Very high0 Ų028.7 Ų28.70%014%0.141CC..Hα-helixtrans-69.2-30.1-179.468.10000111.2H240 T480 V497 A499 D504 A511H240-T507 PolarHBondContact CE1-OG1 3.22Å; T480-T507 VanDerWaalsContact OG1-CB 3.29Å; T480-T507 WeakPolarHBondContact OG1-CB 3.33Å; T480-T507 PolarHBondContact OG1-OG1 3.24Å; V497-T507 HydrophobicContact CG1-CG2 4.06Å; V497-T507 VanDerWaalsContact O-CG2 3.27Å; V497-T507 WeakPolarHBondContact O-CG2 3.3Å; A499-T507 HydrophobicContact CB-CG2 3.41Å; A499-T507 VanDerWaalsContact CB-CG2 3.41Å; D504-T507 PolarHBondContact O-N 3.46Å; D504-T507 VanDerWaalsContact O-N 3.14Å; D504-T507 PolarHBondContact O-OG1 3.18Å; T507-A511 WeakPolarHBondContact O-CB 3.43Å; T507-A511 PolarHBondContact O-N 2.83Å
508L98.8Very high98.4Very high6 Ų630.9 Ų30.93%0.03115%0.15CC..Hα-helixtrans-68.3-44.6173.1-60.5-175.3000112.4H240 L276 L277 L280 D504 H505 L506 V510 A511 L512H240-L508 HydrophobicContact CB-CD2 4.19Å; L276-L508 HydrophobicContact CB-CD2 3.65Å; L276-L508 HydrophobicContact CD1-CD2 3.8Å; L276-L508 HydrophobicContact CG-CD2 4.32Å; L277-L508 HydrophobicContact CB-CD1 4.24Å; L277-L508 HydrophobicContact CD1-CD1 3.68Å; L280-L508 HydrophobicContact CD2-CD1 3.81Å; D504-L508 WeakPolarHBondContact O-CG 3.48Å; D504-L508 PolarHBondContact O-N 2.93Å; H505-L508 PolarHBondContact O-N 2.71Å; L506-L508 VanDerWaalsContact C-N 3.26Å; L506-L508 PolarHBondContact O-N 3.29Å; L508-V510 VanDerWaalsContact C-N 3.32Å; L508-V510 PolarHBondContact O-N 2.8Å; L508-A511 WeakPolarHBondContact O-CB 3.39Å; L508-A511 PolarHBondContact O-N 3.07Å; L508-L512 PolarHBondContact O-N 2.86Å; L508-L512 VanDerWaalsContact O-N 3.15Å
509A98.7Very high98.1Very high21 Ų2132.5 Ų32.517%0.17417%0.167CC..Hα-helixtrans-63.4-39176.800000112.2V297 L299 H505 L506 L512 Y513V297-A509 HydrophobicContact CB-CB 3.61Å; V297-A509 HydrophobicContact CG1-CB 3.81Å; V297-A509 HydrophobicContact CG2-CB 3.85Å; L299-A509 HydrophobicContact CD2-CB 4.1Å; H505-A509 WeakPolarHBondContact O-CB 3.27Å; H505-A509 PolarHBondContact O-N 2.95Å; L506-A509 PolarHBondContact O-N 3.36Å; A509-L512 PolarHBondContact O-N 3.47Å; A509-Y513 PolarHBondContact O-N 3.38Å
510V98.8Very high97.9Very high0 Ų032.6 Ų32.60%017%0.168CC..Hα-helixtrans-67.3-37.1174.3173.50000111.2L299 L302 F304 V443 V497 L506 L508 L512 Y513 L514L299-V510 HydrophobicContact CD2-CG2 3.83Å; L302-V510 HydrophobicContact CD1-CG2 4.32Å; F304-V510 HydrophobicContact CE1-CG2 4.01Å; F304-V510 HydrophobicContact CZ-CG2 4.34Å; V443-V510 HydrophobicContact CG1-CG2 4.3Å; V443-V510 HydrophobicContact CG2-CG2 4.31Å; V497-V510 HydrophobicContact CG1-CB 3.9Å; V497-V510 HydrophobicContact CG1-CG1 3.73Å; V497-V510 HydrophobicContact CG1-CG2 4.45Å; V497-V510 HydrophobicContact CG2-CG1 3.98Å; L506-V510 WeakPolarHBondContact O-CG2 3.47Å; L506-V510 PolarHBondContact O-N 3.17Å; L508-V510 VanDerWaalsContact C-N 3.32Å; L508-V510 PolarHBondContact O-N 2.8Å; V510-L512 PolarHBondContact O-N 2.82Å; V510-Y513 WeakPolarHBondContact O-CB 3.45Å; V510-Y513 PolarHBondContact O-N 3.15Å; V510-Y513 VanDerWaalsContact O-N 3.16Å; V510-L514 HydrophobicContact CG1-CD1 4.03Å; V510-L514 HydrophobicContact CG1-CG 4.14Å; V510-L514 WeakPolarHBondContact O-CG 3.4Å; V510-L514 PolarHBondContact O-N 3.48Å
511A98.8Very high97.8Very high0 Ų033.4 Ų33.40%017%0.169CC..Hα-helixtrans-60.3-42.9176.100000112.6F238 A273 L276 T480 C482 T507 L508 Y513 L514 E515F238-A511 HydrophobicContact CD1-CB 4.3Å; F238-A511 HydrophobicContact CE1-CB 4.35Å; A273-A511 HydrophobicContact CB-CB 4.18Å; L276-A511 HydrophobicContact CD1-CB 4.18Å; T480-A511 HydrophobicContact CG2-CB 3.77Å; C482-A511 VanDerWaalsContact SG-CB 3.56Å; T507-A511 WeakPolarHBondContact O-CB 3.43Å; T507-A511 PolarHBondContact O-N 2.83Å; L508-A511 WeakPolarHBondContact O-CB 3.39Å; L508-A511 PolarHBondContact O-N 3.07Å; A511-Y513 VanDerWaalsContact C-N 3.31Å; A511-Y513 PolarHBondContact O-N 3.2Å; A511-L514 PolarHBondContact O-N 3.43Å; A511-E515 WeakPolarHBondContact O-CB 3.36Å; A511-E515 PolarHBondContact O-N 3.3Å
512L98.6Very high97.8Very high79 Ų7934.7 Ų34.741%0.41417%0.172SC..Hα-helixtrans-57.2-43.8172.8-77.1170000112.3A273 E274 L508 A509 V510 K516A273-L512 HydrophobicContact CB-CD2 4.07Å; A273-L512 HydrophobicContact CB-CG 4.37Å; E274-L512 HydrophobicContact CB-CD2 3.9Å; L508-L512 PolarHBondContact O-N 2.86Å; L508-L512 VanDerWaalsContact O-N 3.15Å; A509-L512 PolarHBondContact O-N 3.47Å; V510-L512 PolarHBondContact O-N 2.82Å; L512-K516 PolarHBondContact O-N 3.28Å
513Y98.7Very high97.7Very high30 Ų3032.9 Ų32.912%0.11816%0.163CC..Hα-helixtrans-63.8-45.6176.2166.4-92.4000112L299 R333 L334 D337 L338 A509 V510 A511 K516 A517L299-Y513 HydrophobicContact CD1-CD2 4.12Å; L299-Y513 HydrophobicContact CD1-CG 3.94Å; R333-Y513 PolarHBondContact O-OH 3.48Å; R333-Y513 VanDerWaalsContact O-OH 3.05Å; L334-Y513 HydrophobicContact CD2-CD1 3.82Å; L334-Y513 HydrophobicContact CD2-CE1 3.32Å; L334-Y513 HydrophobicContact CG-CE1 3.95Å; D337-Y513 HydrophobicContact CB-CE2 4.08Å; D337-Y513 WeakPolarHBondContact CB-OH 3.43Å; D337-Y513 PolarHBondContact OD2-OH 2.89Å; L338-Y513 HydrophobicContact CD2-CE2 4.34Å; L338-Y513 HydrophobicContact CG-CE2 4.48Å; A509-Y513 PolarHBondContact O-N 3.38Å; V510-Y513 WeakPolarHBondContact O-CB 3.45Å; V510-Y513 PolarHBondContact O-N 3.15Å; V510-Y513 VanDerWaalsContact O-N 3.16Å; A511-Y513 VanDerWaalsContact C-N 3.31Å; A511-Y513 PolarHBondContact O-N 3.2Å; Y513-K516 PolarHBondContact O-N 2.83Å; Y513-A517 HydrophobicContact CE1-CB 4.5Å; Y513-A517 WeakPolarHBondContact O-CB 3.49Å; Y513-A517 PolarHBondContact O-N 3.13Å
514L98.7Very high97.5Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-66.1-39.4-179.3-67.6179.7000112V330 C482 V495 V497 V510 A511 K516 A517 F518V330-L514 HydrophobicContact CG1-CD2 3.62Å; V330-L514 HydrophobicContact CG2-CD2 4.25Å; C482-L514 HydrophobicContact CB-CD1 3.85Å; V495-L514 HydrophobicContact CG1-CD1 3.95Å; V497-L514 HydrophobicContact CG2-CD1 3.82Å; V510-L514 HydrophobicContact CG1-CD1 4.03Å; V510-L514 HydrophobicContact CG1-CG 4.14Å; V510-L514 WeakPolarHBondContact O-CG 3.4Å; V510-L514 PolarHBondContact O-N 3.48Å; A511-L514 PolarHBondContact O-N 3.43Å; L514-K516 VanDerWaalsContact C-N 3.34Å; L514-K516 PolarHBondContact O-N 3.42Å; L514-A517 PolarHBondContact O-N 3.08Å; L514-F518 HydrophobicContact CD2-CD2 4.15Å; L514-F518 HydrophobicContact CD2-CE2 3.97Å; L514-F518 WeakPolarHBondContact O-CB 3.47Å; L514-F518 WeakPolarHBondContact O-CD2 3.4Å; L514-F518 PolarHBondContact O-N 3.14Å
515E98.4Very high97.1Very high33 Ų3332.7 Ų32.715%0.15417%0.167CC..Hα-helixtrans-56.6-49.5172.8-175.3171.8-125.200111.1F238 Y272 A273 A511 A517 G519F238-E515 HydrophobicContact CE1-CB 4.31Å; F238-E515 HydrophobicContact CE2-CG 4.28Å; F238-E515 VanDerWaalsContact CE2-OE1 3.3Å; F238-E515 WeakPolarHBondContact CE2-OE1 3.44Å; F238-E515 HydrophobicContact CZ-CB 3.67Å; F238-E515 HydrophobicContact CZ-CG 3.88Å; Y272-E515 VanDerWaalsContact CA-OE1 3.23Å; Y272-E515 WeakPolarHBondContact CA-OE1 3.38Å; A273-E515 HydrophobicContact CB-CB 4.02Å; A273-E515 WeakPolarHBondContact CB-OE2 3.49Å; A273-E515 PolarHBondContact N-OE1 3.34Å; A273-E515 PolarHBondContact N-OE2 2.86Å; A511-E515 WeakPolarHBondContact O-CB 3.36Å; A511-E515 PolarHBondContact O-N 3.3Å; E515-A517 VanDerWaalsContact C-N 3.29Å; E515-A517 PolarHBondContact O-N 3.35Å; E515-G519 WeakPolarHBondContact O-CA 3.44Å; E515-G519 PolarHBondContact O-N 2.94Å
516K97.8Very high96.6Very high194 Ų19434.5 Ų34.584%0.84319%0.185SC*.Hα-helixtrans-62.3-36.4177.6-174.1179.2179.5-179.30112.7L512 Y513 L514L512-K516 PolarHBondContact O-N 3.28Å; Y513-K516 PolarHBondContact O-N 2.83Å; L514-K516 VanDerWaalsContact C-N 3.34Å; L514-K516 PolarHBondContact O-N 3.42Å
517A97.8Very high94.7Very high18 Ų1847.5 Ų47.515%0.14924%0.241CC..Hα-helixtrans-80.3-32.2-175.500000113.9R333 Y513 L514 E515R333-A517 HydrophobicContact CG-CB 4.26Å; R333-A517 PolarHBondContact NH1-O 2.91Å; Y513-A517 HydrophobicContact CE1-CB 4.5Å; Y513-A517 WeakPolarHBondContact O-CB 3.49Å; Y513-A517 PolarHBondContact O-N 3.13Å; L514-A517 PolarHBondContact O-N 3.08Å; E515-A517 VanDerWaalsContact C-N 3.29Å; E515-A517 PolarHBondContact O-N 3.35Å
518F97.3Very high94.5Very high45 Ų4549.9 Ų49.920%0.19725%0.253CS..Hα-helixtrans-121.5-10.2-171.3-64.3-85.3000114.3K329 V330 R333 L484 L514 R522K329-F518 HydrophobicContact CB-CE1 4.24Å; V330-F518 HydrophobicContact CB-CZ 4.42Å; V330-F518 HydrophobicContact CG2-CE1 4.49Å; V330-F518 HydrophobicContact CG2-CE2 3.86Å; V330-F518 HydrophobicContact CG2-CZ 3.86Å; R333-F518 HydrophobicContact CB-CE2 4.33Å; R333-F518 HydrophobicContact CB-CZ 3.92Å; R333-F518 HydrophobicContact CG-CE2 4.33Å; R333-F518 HydrophobicContact CG-CZ 4.21Å; L484-F518 HydrophobicContact CD2-CB 4.16Å; L484-F518 HydrophobicContact CD2-CD2 3.85Å; L484-F518 HydrophobicContact CD2-CE2 4.43Å; L484-F518 HydrophobicContact CD2-CG 3.91Å; L514-F518 HydrophobicContact CD2-CD2 4.15Å; L514-F518 HydrophobicContact CD2-CE2 3.97Å; L514-F518 WeakPolarHBondContact O-CB 3.47Å; L514-F518 WeakPolarHBondContact O-CD2 3.4Å; L514-F518 PolarHBondContact O-N 3.14Å; F518-R522 PolarHBondContact O-NH2 3.45Å
519G92Very high94.3Very high35 Ų3552.2 Ų52.236%0.36127%0.265SS..  trans87.64173.700000115.9E515E515-G519 WeakPolarHBondContact O-CA 3.44Å; E515-G519 PolarHBondContact O-N 2.94Å
520G94.7Very high94.1Very high1 Ų153.9 Ų53.91%0.0127%0.27CS..  trans58.4-134.9170.600000114.9
521W97.4Very high93.8Very high22 Ų2257.1 Ų57.18%0.08329%0.286CS..  trans-64.7147.4178.5169.680.2000112.5I41 L47 G212 A214 G236 V237 R271 D523I41-W521 HydrophobicContact CD1-CH2 3.5Å; I41-W521 HydrophobicContact CD1-CZ2 3.95Å; L47-W521 HydrophobicContact CD2-CH2 4.01Å; L47-W521 HydrophobicContact CD2-CZ3 4.05Å; G212-W521 PolarHBondContact O-NE1 3.31Å; A214-W521 HydrophobicContact CB-CH2 4.13Å; A214-W521 HydrophobicContact CB-CZ2 3.95Å; G236-W521 VanDerWaalsContact O-CA 3.31Å; G236-W521 WeakPolarHBondContact O-CA 3.47Å; G236-W521 WeakPolarHBondContact O-CB 3.32Å; V237-W521 HydrophobicContact CG1-CG 4.48Å; R271-W521 HydrophobicContact CB-CD2 4.44Å; R271-W521 HydrophobicContact CB-CG 4.39Å; R271-W521 HydrophobicContact CG-CD2 4.39Å; R271-W521 HydrophobicContact CG-CG 4.43Å; W521-D523 HydrophobicContact CH2-CB 4.28Å; W521-D523 HydrophobicContact CZ2-CB 4.44Å
522R96.9Very high93.5Very high118 Ų11860.6 Ų60.645%0.44530%0.304SS..  trans-128.9140.4178.9-61.4-64-178.3167.10110Y194 L486 F518 P524Y194-R522 PolarHBondContact OH-O 3.47Å; L486-R522 HydrophobicContact CD1-CB 4.23Å; L486-R522 HydrophobicContact CD2-CB 4.47Å; L486-R522 HydrophobicContact CG-CB 4.27Å; L486-R522 HydrophobicContact CG-CG 4.23Å; F518-R522 PolarHBondContact O-NH2 3.45Å; R522-P524 VanDerWaalsContact O-CD 3.3Å; R522-P524 WeakPolarHBondContact O-CD 3.4Å
523D95.9Very high93.1Very high29 Ų2959.4 Ų59.416%0.15530%0.297CS..  trans-62.7118.2176.91779.2000110.4I41 W521 G525 A526I41-D523 WeakPolarHBondContact CB-OD2 3.4Å; I41-D523 HydrophobicContact CD1-CB 3.98Å; I41-D523 VanDerWaalsContact CD1-CG 3.47Å; I41-D523 WeakPolarHBondContact CG1-OD2 3.16Å; I41-D523 PolarHBondContact N-OD2 3.48Å; I41-D523 VanDerWaalsContact N-OD2 3.07Å; W521-D523 HydrophobicContact CH2-CB 4.28Å; W521-D523 HydrophobicContact CZ2-CB 4.44Å; D523-G525 PolarHBondContact O-N 2.97Å; D523-G525 PolarHBondContact OD1-N 2.87Å; D523-A526 HydrophobicContact CB-CB 3.95Å; D523-A526 WeakPolarHBondContact O-CB 3.48Å; D523-A526 PolarHBondContact O-N 3.38Å; D523-A526 VanDerWaalsContact O-N 3.17Å
524P94.3Very high92.7Very high16 Ų1661.5 Ų61.510%0.10431%0.309CS..THydrogen-bonded Turntrans-66.9-19.117927.3-35.6000113.6P193 Y194 G212 R522P193-P524 HydrophobicContact CB-CB 4.13Å; P193-P524 HydrophobicContact CB-CG 3.98Å; P193-P524 WeakPolarHBondContact O-CB 3.39Å; Y194-P524 HydrophobicContact CD1-CB 3.96Å; Y194-P524 HydrophobicContact CE1-CB 4.08Å; Y194-P524 HydrophobicContact CG-CB 4.2Å; G212-P524 VanDerWaalsContact O-CD 3.29Å; G212-P524 WeakPolarHBondContact O-CD 3.41Å; G212-P524 WeakPolarHBondContact O-CG 3.33Å; R522-P524 VanDerWaalsContact O-CD 3.3Å; R522-P524 WeakPolarHBondContact O-CD 3.4Å
525G89.9Confident92.3Very high13 Ų1366.2 Ų66.213%0.13433%0.333CS..THydrogen-bonded Turntrans-89.6-7.8175.700000114.2L38 P40 D523L38-G525 WeakPolarHBondContact O-CA 3.24Å; P40-G525 WeakPolarHBondContact CB-O 3.48Å; D523-G525 PolarHBondContact O-N 2.97Å; D523-G525 PolarHBondContact OD1-N 2.87Å
526A87Confident91.8Very high59 Ų5969 Ų6949%0.48835%0.348SS..  trans-71148.7178.100000111.7D523D523-A526 HydrophobicContact CB-CB 3.95Å; D523-A526 WeakPolarHBondContact O-CB 3.48Å; D523-A526 PolarHBondContact O-N 3.38Å; D523-A526 VanDerWaalsContact O-N 3.17Å
527K60Low91.2Very high278 Ų27857.6 Ų57.6100%1.20930%0.303SS*.  trans-80.70-179-76-173179.1178.70113.2

Retrieved 527 of 527 residues in 486.4 ms (Link to these results)

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