G4VDW1_SCHMA Loading...

Putative topbp1

AlphaFold DB , UniProt , Accession G4VDW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,396 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.9Low79.9Confident109 Ų10952.6 Ų52.654%0.53729%0.288SS..  01070-76.2-168.2179.100106.8D49 C51 L88M1-D49 WeakPolarHBondContact CA-O 3.49Å; M1-D49 HydrophobicContact CG-CB 4.49Å; M1-C51 VanDerWaalsContact CE-SG 3.54Å; M1-L88 HydrophobicContact CE-CB 3.86Å; M1-L88 HydrophobicContact CE-CD1 4.36Å; M1-L88 HydrophobicContact SD-CB 4.44Å; M1-L88 HydrophobicContact SD-CD1 4.18Å
2D61.8Low80.4Confident96 Ų9649.9 Ų49.951%0.51328%0.276SS..  trans-99.9-22.6-169.3-69.629.3000111.6K48 D49D2-K48 HydrophobicContact CB-CB 4.42Å; D2-K48 HydrophobicContact CB-CD 4.18Å; D2-K48 WeakPolarHBondContact OD2-CD 3.4Å; D2-K48 IonicContact OD2-NZ 3.9Å; D2-K48 PolarHBondContact OD2-NZ 2.96Å; D2-D49 PolarHBondContact N-O 3.47Å
3E81.2Confident80.9Confident33 Ų3350 Ų5015%0.15428%0.282CS..EExtended strand (participates in β ladder)trans-155.7137.2-171.5-162.6166.5143.300110.6I5 K31 Y42 V50 C51E3-I5 HydrophobicContact CG-CD1 4.46Å; E3-I5 HydrophobicContact CG-CG1 4.09Å; E3-K31 VanDerWaalsContact OE1-CD 3.28Å; E3-K31 WeakPolarHBondContact OE1-CD 3.49Å; E3-K31 VanDerWaalsContact OE1-CE 3.24Å; E3-K31 WeakPolarHBondContact OE1-CE 3.45Å; E3-K31 IonicContact OE1-NZ 2.71Å; E3-K31 PolarHBondContact OE1-NZ 3.26Å; E3-K31 IonicContact OE2-NZ 3.4Å; E3-K31 PolarHBondContact OE2-NZ 3.06Å; E3-Y42 PolarHBondContact OE1-OH 3.22Å; E3-V50 HydrophobicContact CB-CG1 4.31Å; E3-V50 HydrophobicContact CB-CG2 4.24Å; E3-V50 WeakPolarHBondContact O-CA 3.34Å; E3-C51 PolarHBondContact O-N 3.33Å
4I89.5Confident81.5Confident12 Ų1246.6 Ų46.66%0.06226%0.263CS..EExtended strand (participates in β ladder)trans-119127.5171.3-56.9-177000107.9F6 V22 I28 P30 K31 C51 V53I4-F6 HydrophobicContact CB-CE2 4.38Å; I4-F6 HydrophobicContact CG2-CD2 4.04Å; I4-F6 HydrophobicContact CG2-CE2 3.51Å; I4-F6 HydrophobicContact CG2-CZ 4.21Å; I4-V22 HydrophobicContact CD1-CG1 4.29Å; I4-I28 HydrophobicContact CD1-CG2 4.17Å; I4-I28 HydrophobicContact CG1-CG2 4.41Å; I4-P30 CarbonylContact O-C 3.59Å; I4-P30 WeakPolarHBondContact O-CA 3.44Å; I4-K31 PolarHBondContact O-N 3.15Å; I4-C51 CarbonylContact C-O 3.6Å; I4-C51 WeakPolarHBondContact CA-O 3.32Å; I4-V53 HydrophobicContact CG2-CG2 3.7Å
5I91.5Very high82.1Confident0 Ų043.6 Ų43.60%025%0.246CC..EExtended strand (participates in β ladder)trans-117.9114.8-173.2-60.5-176.9000109.5E3 K31 L33 V38 Y42 V50 C51 F52 V53E3-I5 HydrophobicContact CG-CD1 4.46Å; E3-I5 HydrophobicContact CG-CG1 4.09Å; I5-K31 WeakPolarHBondContact CA-O 3.34Å; I5-L33 HydrophobicContact CD1-CD1 4.43Å; I5-L33 HydrophobicContact CG2-CB 4.34Å; I5-L33 HydrophobicContact CG2-CD1 3.82Å; I5-L33 HydrophobicContact CG2-CG 4.2Å; I5-V38 HydrophobicContact CG2-CG2 4.29Å; I5-Y42 HydrophobicContact CD1-CE2 3.56Å; I5-Y42 VanDerWaalsContact CD1-OH 3.27Å; I5-Y42 WeakPolarHBondContact CD1-OH 3.29Å; I5-V50 HydrophobicContact CD1-CG1 3.51Å; I5-V50 HydrophobicContact CG1-CG1 3.92Å; I5-C51 PolarHBondContact N-O 3.27Å; I5-F52 HydrophobicContact CB-CD1 3.93Å; I5-F52 HydrophobicContact CB-CE1 4.14Å; I5-F52 HydrophobicContact CD1-CD1 4.46Å; I5-F52 HydrophobicContact CD1-CE1 3.8Å; I5-F52 HydrophobicContact CD1-CZ 4.16Å; I5-F52 HydrophobicContact CG1-CE1 4.49Å; I5-F52 HydrophobicContact CG2-CD1 4.01Å; I5-F52 HydrophobicContact CG2-CE1 4.15Å; I5-F52 CarbonylContact O-C 3.55Å; I5-F52 WeakPolarHBondContact O-CA 3.38Å; I5-V53 PolarHBondContact O-N 2.96Å
6F93.2Very high82.6Confident0 Ų045 Ų450%025%0.252CS..EExtended strand (participates in β ladder)trans-92.2121.8176.2-70.6-105.8000109.7I4 L15 A18 F19 V22 P30 K31 R32 L33 V53I4-F6 HydrophobicContact CB-CE2 4.38Å; I4-F6 HydrophobicContact CG2-CD2 4.04Å; I4-F6 HydrophobicContact CG2-CE2 3.51Å; I4-F6 HydrophobicContact CG2-CZ 4.21Å; F6-L15 HydrophobicContact CB-CD1 4.49Å; F6-L15 HydrophobicContact CD1-CD1 3.75Å; F6-L15 HydrophobicContact CD1-CG 4.23Å; F6-A18 HydrophobicContact CE1-CB 3.83Å; F6-F19 HydrophobicContact CB-CD2 4.19Å; F6-F19 HydrophobicContact CD1-CB 3.92Å; F6-F19 HydrophobicContact CD1-CD2 4.34Å; F6-F19 AromaticContact CD2-CD2 3.67Å; F6-F19 HydrophobicContact CD2-CD2 3.67Å; F6-F19 HydrophobicContact CD2-CE2 4.43Å; F6-F19 HydrophobicContact CE1-CB 3.95Å; F6-F19 HydrophobicContact CE2-CD2 4.08Å; F6-F19 HydrophobicContact CG-CB 4.26Å; F6-F19 AromaticContact CG-CD2 3.81Å; F6-F19 HydrophobicContact CG-CD2 3.81Å; F6-F19 HydrophobicContact CZ-CB 4.29Å; F6-V22 HydrophobicContact CZ-CB 4.39Å; F6-V22 HydrophobicContact CZ-CG2 4.21Å; F6-P30 HydrophobicContact CD2-CB 4.05Å; F6-P30 HydrophobicContact CE2-CB 3.76Å; F6-K31 PolarHBondContact N-O 3.28Å; F6-R32 HydrophobicContact CB-CG 4.1Å; F6-R32 WeakPolarHBondContact O-CA 3.21Å; F6-L33 PolarHBondContact O-N 3.44Å; F6-V53 HydrophobicContact CD1-CB 3.81Å; F6-V53 HydrophobicContact CD1-CG1 3.92Å; F6-V53 HydrophobicContact CD1-CG2 4.26Å; F6-V53 HydrophobicContact CD2-CG2 4.46Å; F6-V53 HydrophobicContact CE1-CB 3.99Å; F6-V53 HydrophobicContact CE1-CG1 3.86Å; F6-V53 HydrophobicContact CE1-CG2 4.05Å; F6-V53 HydrophobicContact CE2-CG2 4.28Å; F6-V53 HydrophobicContact CG-CB 4.14Å; F6-V53 HydrophobicContact CG-CG2 4.46Å; F6-V53 HydrophobicContact CZ-CB 4.49Å; F6-V53 HydrophobicContact CZ-CG2 4.06Å
7V91.8Very high83Confident1 Ų142.9 Ų42.91%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-91.6112.5179.9-167.60000109E9 L15 L33 V38 V53 L54V7-E9 PolarHBondContact O-N 3.18Å; V7-L15 VanDerWaalsContact O-CD2 3.23Å; V7-L15 WeakPolarHBondContact O-CD2 3.49Å; V7-L33 WeakPolarHBondContact CA-O 3.24Å; V7-V38 HydrophobicContact CG2-CG2 4.08Å; V7-V53 PolarHBondContact N-O 3.11Å; V7-L54 HydrophobicContact CB-CD2 4.39Å; V7-L54 HydrophobicContact CB-CG 3.98Å; V7-L54 HydrophobicContact CG2-CD1 4.08Å; V7-L54 HydrophobicContact CG2-CD2 4.26Å; V7-L54 HydrophobicContact CG2-CG 3.75Å
8N81.9Confident83.5Confident57 Ų5740.5 Ų40.531%0.30523%0.229SC..  trans-73.67.5-166.7-86-19.7000115.9P10 R32 L33N8-P10 CarbonylContact O-C 3.4Å; N8-R32 WeakPolarHBondContact OD1-CD 3.33Å; N8-R32 WeakPolarHBondContact OD1-CG 3.47Å; N8-R32 PolarHBondContact OD1-NH1 3.17Å; N8-L33 PolarHBondContact N-O 3.26Å
9E78.3Confident83.8Confident92 Ų9240.3 Ų40.343%0.4323%0.225SC..SBendtrans-127.8122.1-171.3-68.3168.8146.400110.4V7 S35V7-E9 PolarHBondContact O-N 3.18Å; E9-S35 WeakPolarHBondContact OE2-CA 3.35Å; E9-S35 WeakPolarHBondContact OE2-CB 3.47Å; E9-S35 PolarHBondContact OE2-N 3.1Å; E9-S35 PolarHBondContact OE2-OG 2.88Å
10P79.6Confident84Confident58 Ų5841.3 Ų41.338%0.37723%0.23SC..SBendcis-70.9159.9-8.533-37.4000112.8N8 S12 A55 R56N8-P10 CarbonylContact O-C 3.4Å; P10-S12 PolarHBondContact O-N 3.43Å; P10-A55 HydrophobicContact CG-CB 4.44Å; P10-R56 HydrophobicContact CG-CG 4.11Å
11P77.7Confident84.1Confident121 Ų12139.4 Ų39.479%0.78622%0.219SC*.  trans-62.6124.5171.926.8-34.5000110.7
12S85.6Confident85.8Confident20 Ų2034.4 Ų34.414%0.1420%0.195CC..  trans-131.1139.1178.9166.80000110.9P10 L14 L15 N16P10-S12 PolarHBondContact O-N 3.43Å; S12-L14 PolarHBondContact OG-N 2.71Å; S12-L15 WeakPolarHBondContact O-CB 3.24Å; S12-L15 PolarHBondContact O-N 2.65Å; S12-L15 PolarHBondContact OG-N 3.42Å; S12-N16 PolarHBondContact O-N 3.43Å; S12-N16 PolarHBondContact O-ND2 3.4Å
13S86.4Confident86.8Confident51 Ų5132.5 Ų32.536%0.35719%0.19SC..Hα-helixtrans-65.6-38174.950.90000112.5N16 A17 L809S13-N16 PolarHBondContact O-N 2.99Å; S13-A17 PolarHBondContact O-N 2.95Å; S13-L809 WeakPolarHBondContact OG-CD2 3.27Å
14L89.9Confident86.6Confident3 Ų334.2 Ų34.22%0.01620%0.198CC..Hα-helixtrans-66.7-38.3175-62.3-179.4000111.1S12 N16 A17 A18 P75 Q76 L79 D177 L809S12-L14 PolarHBondContact OG-N 2.71Å; L14-N16 VanDerWaalsContact C-N 3.32Å; L14-N16 PolarHBondContact O-N 3.02Å; L14-A17 PolarHBondContact O-N 2.74Å; L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.28Å; L14-A18 PolarHBondContact O-N 3.19Å; L14-P75 VanDerWaalsContact C-CB 3.49Å; L14-P75 HydrophobicContact CB-CB 3.93Å; L14-P75 HydrophobicContact CB-CG 4.45Å; L14-P75 WeakPolarHBondContact O-CB 3.45Å; L14-Q76 HydrophobicContact CD1-CG 4.35Å; L14-L79 HydrophobicContact CB-CD1 4.5Å; L14-L79 HydrophobicContact CD2-CD1 4.19Å; L14-D177 HydrophobicContact CD2-CB 3.95Å; L14-L809 HydrophobicContact CD2-CD1 4.13Å
15L91Very high85.8Confident1 Ų136.5 Ų36.51%0.00521%0.206CC..Hα-helixtrans-61.8-40.2173-172.378.4000111.5F6 V7 S12 F19 V53 A55 P75F6-L15 HydrophobicContact CB-CD1 4.49Å; F6-L15 HydrophobicContact CD1-CD1 3.75Å; F6-L15 HydrophobicContact CD1-CG 4.23Å; V7-L15 VanDerWaalsContact O-CD2 3.23Å; V7-L15 WeakPolarHBondContact O-CD2 3.49Å; S12-L15 WeakPolarHBondContact O-CB 3.24Å; S12-L15 PolarHBondContact O-N 2.65Å; S12-L15 PolarHBondContact OG-N 3.42Å; L15-F19 WeakPolarHBondContact O-CB 3.44Å; L15-F19 PolarHBondContact O-N 2.94Å; L15-V53 HydrophobicContact CD1-CB 4.47Å; L15-V53 HydrophobicContact CD1-CG1 3.9Å; L15-A55 HydrophobicContact CB-CB 4.37Å; L15-A55 HydrophobicContact CD2-CB 4.44Å; L15-P75 HydrophobicContact CB-CG 3.98Å; L15-P75 HydrophobicContact CD1-CG 3.9Å
16N89.7Confident84.4Confident66 Ų6643.5 Ų43.535%0.35324%0.239SC..Hα-helixtrans-66.4-47.8175.2-71.9-27.8000112.2S12 S13 L14 A18 F19 N20 R32S12-N16 PolarHBondContact O-N 3.43Å; S12-N16 PolarHBondContact O-ND2 3.4Å; S13-N16 PolarHBondContact O-N 2.99Å; L14-N16 VanDerWaalsContact C-N 3.32Å; L14-N16 PolarHBondContact O-N 3.02Å; N16-A18 VanDerWaalsContact C-N 3.34Å; N16-A18 PolarHBondContact O-N 3.35Å; N16-F19 PolarHBondContact O-N 3.3Å; N16-N20 VanDerWaalsContact O-CG 3.27Å; N16-N20 PolarHBondContact O-N 2.79Å; N16-N20 PolarHBondContact O-OD1 2.9Å; N16-R32 PolarHBondContact OD1-NH1 3.04Å; N16-R32 PolarHBondContact OD1-NH2 2.62Å
17A89.1Confident83.4Confident9 Ų951.3 Ų51.37%0.07428%0.28CS..Hα-helixtrans-61.1-41.3177.400000112.2S13 L14 N20 A21 L79 T806S13-A17 PolarHBondContact O-N 2.95Å; L14-A17 PolarHBondContact O-N 2.74Å; A17-N20 PolarHBondContact O-N 3.05Å; A17-A21 WeakPolarHBondContact O-CB 3.08Å; A17-A21 PolarHBondContact O-N 3.42Å; A17-L79 HydrophobicContact CB-CD1 4.44Å; A17-L79 HydrophobicContact CB-CD2 4.18Å; A17-T806 HydrophobicContact CB-CG2 3.86Å
18A91.3Very high82.5Confident0 Ų054.2 Ų54.20%030%0.295CS..Hα-helixtrans-64.6-39.6175.400000112.4F6 L14 N16 V22 P75 I78 L79F6-A18 HydrophobicContact CE1-CB 3.83Å; L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.28Å; L14-A18 PolarHBondContact O-N 3.19Å; N16-A18 VanDerWaalsContact C-N 3.34Å; N16-A18 PolarHBondContact O-N 3.35Å; A18-V22 WeakPolarHBondContact O-CG2 3.16Å; A18-V22 PolarHBondContact O-N 3.13Å; A18-V22 VanDerWaalsContact O-N 3.16Å; A18-P75 HydrophobicContact CB-CB 3.89Å; A18-I78 HydrophobicContact CB-CB 4.03Å; A18-I78 HydrophobicContact CB-CG2 4.1Å; A18-L79 HydrophobicContact CB-CD2 4.42Å; A18-L79 HydrophobicContact CB-CG 4.08Å
19F90.7Very high82.1Confident37 Ų3756.1 Ų56.116%0.16231%0.312CS..Hα-helixtrans-64.3-45174.4178.8-92000111.5F6 L15 N16 V22 S23 P30 R32F6-F19 HydrophobicContact CB-CD2 4.19Å; F6-F19 HydrophobicContact CD1-CB 3.92Å; F6-F19 HydrophobicContact CD1-CD2 4.34Å; F6-F19 AromaticContact CD2-CD2 3.67Å; F6-F19 HydrophobicContact CD2-CD2 3.67Å; F6-F19 HydrophobicContact CD2-CE2 4.43Å; F6-F19 HydrophobicContact CE1-CB 3.95Å; F6-F19 HydrophobicContact CE2-CD2 4.08Å; F6-F19 HydrophobicContact CG-CB 4.26Å; F6-F19 AromaticContact CG-CD2 3.81Å; F6-F19 HydrophobicContact CG-CD2 3.81Å; F6-F19 HydrophobicContact CZ-CB 4.29Å; L15-F19 WeakPolarHBondContact O-CB 3.44Å; L15-F19 PolarHBondContact O-N 2.94Å; N16-F19 PolarHBondContact O-N 3.3Å; F19-V22 PolarHBondContact O-N 2.99Å; F19-S23 WeakPolarHBondContact CE1-OG 3.35Å; F19-S23 WeakPolarHBondContact O-CB 3.19Å; F19-S23 PolarHBondContact O-N 2.71Å; F19-S23 PolarHBondContact O-OG 3.1Å; F19-P30 HydrophobicContact CD2-CB 4.08Å; F19-P30 HydrophobicContact CD2-CG 4.41Å; F19-P30 HydrophobicContact CE2-CB 3.82Å; F19-P30 HydrophobicContact CE2-CG 3.97Å; F19-P30 HydrophobicContact CZ-CG 4.37Å; F19-R32 VanDerWaalsContact CD1-NE 3.33Å; F19-R32 HydrophobicContact CD2-CG 3.79Å; F19-R32 HydrophobicContact CE2-CG 3.61Å; F19-R32 HydrophobicContact CG-CG 4.49Å; F19-R32 HydrophobicContact CZ-CG 4.17Å
20N87.6Confident82.5Confident59 Ų5952.8 Ų52.832%0.31630%0.298SS..Hα-helixtrans-61.3-50.1178.3-68.61.6000110.6N16 A17 V22 S23 E24 E805N16-N20 VanDerWaalsContact O-CG 3.27Å; N16-N20 PolarHBondContact O-N 2.79Å; N16-N20 PolarHBondContact O-OD1 2.9Å; A17-N20 PolarHBondContact O-N 3.05Å; N20-V22 VanDerWaalsContact C-N 3.27Å; N20-V22 PolarHBondContact O-N 2.72Å; N20-S23 PolarHBondContact O-N 3.34Å; N20-E24 PolarHBondContact O-N 3.02Å; N20-E805 PolarHBondContact ND2-OE2 2.66Å
21A86.5Confident82.8Confident2 Ų254.6 Ų54.62%0.01730%0.3CS..Hα-helixtrans-62.2-28.7-179.600000114.1A17 Y25 L79 V82 A802A17-A21 WeakPolarHBondContact O-CB 3.08Å; A17-A21 PolarHBondContact O-N 3.42Å; A21-Y25 WeakPolarHBondContact O-CD2 3.41Å; A21-Y25 WeakPolarHBondContact O-CE2 3.33Å; A21-L79 HydrophobicContact CB-CD2 4.4Å; A21-V82 HydrophobicContact CB-CG1 4.41Å; A21-A802 HydrophobicContact CB-CB 4.24Å
22V86.7Confident83.3Confident5 Ų552.5 Ų52.53%0.0328%0.276CS..Hα-helixtrans-81.8-33.2172174.50000111.8I4 F6 A18 F19 N20 E24 Y25 I28 P30 I78I4-V22 HydrophobicContact CD1-CG1 4.29Å; F6-V22 HydrophobicContact CZ-CB 4.39Å; F6-V22 HydrophobicContact CZ-CG2 4.21Å; A18-V22 WeakPolarHBondContact O-CG2 3.16Å; A18-V22 PolarHBondContact O-N 3.13Å; A18-V22 VanDerWaalsContact O-N 3.16Å; F19-V22 PolarHBondContact O-N 2.99Å; N20-V22 VanDerWaalsContact C-N 3.27Å; N20-V22 PolarHBondContact O-N 2.72Å; V22-E24 PolarHBondContact O-N 3.44Å; V22-Y25 PolarHBondContact O-N 2.78Å; V22-Y25 VanDerWaalsContact O-N 3.15Å; V22-I28 HydrophobicContact CG1-CB 4.27Å; V22-I28 HydrophobicContact CG1-CD1 4.43Å; V22-I28 HydrophobicContact CG1-CG2 3.68Å; V22-P30 HydrophobicContact CG1-CB 3.97Å; V22-P30 HydrophobicContact CG1-CG 4.01Å; V22-I78 HydrophobicContact CG2-CG2 3.35Å
23S84.6Confident83.5Confident56 Ų5652.6 Ų52.639%0.39228%0.275SS..Hα-helixtrans-68.3-17.6-179.8-58.90000113.9F19 N20 Y25 P30F19-S23 WeakPolarHBondContact CE1-OG 3.35Å; F19-S23 WeakPolarHBondContact O-CB 3.19Å; F19-S23 PolarHBondContact O-N 2.71Å; F19-S23 PolarHBondContact O-OG 3.1Å; N20-S23 PolarHBondContact O-N 3.34Å; S23-Y25 VanDerWaalsContact C-N 3.28Å; S23-P30 WeakPolarHBondContact OG-CG 3.41Å
24E75.8Confident83.7Confident69 Ų6951.5 Ų51.532%0.32227%0.267SS..THydrogen-bonded Turntrans-78.3-7.3173.5-65.5-17612500113.6N20 V22 C798 N801N20-E24 PolarHBondContact O-N 3.02Å; V22-E24 PolarHBondContact O-N 3.44Å; E24-C798 HydrophobicContact CB-CB 4.38Å; E24-C798 WeakPolarHBondContact OE2-CA 3.44Å; E24-C798 WeakPolarHBondContact OE2-CB 3.35Å; E24-N801 PolarHBondContact OE1-ND2 2.83Å
25Y73.5Confident83.6Confident59 Ų5952.6 Ų52.623%0.23128%0.275CS..  trans-89.4111.4175.7-76.4-98.8000111.7A21 V22 S23 N27 I28 V82A21-Y25 WeakPolarHBondContact O-CD2 3.41Å; A21-Y25 WeakPolarHBondContact O-CE2 3.33Å; V22-Y25 PolarHBondContact O-N 2.78Å; V22-Y25 VanDerWaalsContact O-N 3.15Å; S23-Y25 VanDerWaalsContact C-N 3.28Å; Y25-N27 PolarHBondContact O-N 3.43Å; Y25-I28 HydrophobicContact CG-CD1 4.36Å; Y25-I28 PolarHBondContact O-N 3.21Å; Y25-V82 HydrophobicContact CE2-CG1 4.05Å; Y25-V82 HydrophobicContact CE2-CG2 4.39Å
26E62.2Low83.4Confident148 Ų14856.1 Ų56.169%0.69230%0.299SS*.THydrogen-bonded Turntrans-53.8-24.2-177.8-63.5180-175.700114.9Q794E26-Q794 PolarHBondContact OE1-NE2 2.97Å
27N70.8Confident83.4Confident163 Ų16357.2 Ų57.287%0.87230%0.302SS*.THydrogen-bonded Turntrans-96.63-177.3-65.4-28.6000114.5Y25Y25-N27 PolarHBondContact O-N 3.43Å
28I73.1Confident83.4Confident63 Ų6356.8 Ų56.832%0.32330%0.299SS..  trans-125.8127.8-177.3-50.9178.4000109.5I4 V22 Y25 P30I4-I28 HydrophobicContact CD1-CG2 4.17Å; I4-I28 HydrophobicContact CG1-CG2 4.41Å; V22-I28 HydrophobicContact CG1-CB 4.27Å; V22-I28 HydrophobicContact CG1-CD1 4.43Å; V22-I28 HydrophobicContact CG1-CG2 3.68Å; Y25-I28 HydrophobicContact CG-CD1 4.36Å; Y25-I28 PolarHBondContact O-N 3.21Å; I28-P30 WeakPolarHBondContact O-CD 3.45Å
29C74Confident83.3Confident97 Ų9759.4 Ų59.466%0.65531%0.312SS*.  trans-105.684.4174.1-61.90000110.5K31C29-K31 PolarHBondContact O-N 3.48Å
30P86.2Confident83.2Confident21 Ų2165.3 Ų65.314%0.13634%0.338CS..EExtended strand (participates in β ladder)trans-68.3129.3176.130-35000110.3I4 F6 F19 V22 S23 I28I4-P30 CarbonylContact O-C 3.59Å; I4-P30 WeakPolarHBondContact O-CA 3.44Å; F6-P30 HydrophobicContact CD2-CB 4.05Å; F6-P30 HydrophobicContact CE2-CB 3.76Å; F19-P30 HydrophobicContact CD2-CB 4.08Å; F19-P30 HydrophobicContact CD2-CG 4.41Å; F19-P30 HydrophobicContact CE2-CB 3.82Å; F19-P30 HydrophobicContact CE2-CG 3.97Å; F19-P30 HydrophobicContact CZ-CG 4.37Å; V22-P30 HydrophobicContact CG1-CB 3.97Å; V22-P30 HydrophobicContact CG1-CG 4.01Å; S23-P30 WeakPolarHBondContact OG-CG 3.41Å; I28-P30 WeakPolarHBondContact O-CD 3.45Å
31K87.4Confident83.2Confident96 Ų9667.5 Ų67.542%0.41735%0.349SS..EExtended strand (participates in β ladder)trans-101.8151174.1-61.7-173.1-161.51550110.5E3 I4 I5 F6 C29E3-K31 VanDerWaalsContact OE1-CD 3.28Å; E3-K31 WeakPolarHBondContact OE1-CD 3.49Å; E3-K31 VanDerWaalsContact OE1-CE 3.24Å; E3-K31 WeakPolarHBondContact OE1-CE 3.45Å; E3-K31 IonicContact OE1-NZ 2.71Å; E3-K31 PolarHBondContact OE1-NZ 3.26Å; E3-K31 IonicContact OE2-NZ 3.4Å; E3-K31 PolarHBondContact OE2-NZ 3.06Å; I4-K31 PolarHBondContact O-N 3.15Å; I5-K31 WeakPolarHBondContact CA-O 3.34Å; F6-K31 PolarHBondContact N-O 3.28Å; C29-K31 PolarHBondContact O-N 3.48Å
32R88.2Confident83.3Confident77 Ų7769.2 Ų69.229%0.29136%0.355SS..EExtended strand (participates in β ladder)trans-110.9132.8169.4-85.2174.8-175.8-11416.1109.4F6 N8 N16 F19F6-R32 HydrophobicContact CB-CG 4.1Å; F6-R32 WeakPolarHBondContact O-CA 3.21Å; N8-R32 WeakPolarHBondContact OD1-CD 3.33Å; N8-R32 WeakPolarHBondContact OD1-CG 3.47Å; N8-R32 PolarHBondContact OD1-NH1 3.17Å; N16-R32 PolarHBondContact OD1-NH1 3.04Å; N16-R32 PolarHBondContact OD1-NH2 2.62Å; F19-R32 VanDerWaalsContact CD1-NE 3.33Å; F19-R32 HydrophobicContact CD2-CG 3.79Å; F19-R32 HydrophobicContact CE2-CG 3.61Å; F19-R32 HydrophobicContact CG-CG 4.49Å; F19-R32 HydrophobicContact CZ-CG 4.17Å
33L89.5Confident83.1Confident23 Ų2372.9 Ų72.912%0.1238%0.379CS..EExtended strand (participates in β ladder)trans-137.6155.1177-66.4177.6000110I5 F6 V7 N8 E37 V38 L41 Y42I5-L33 HydrophobicContact CD1-CD1 4.43Å; I5-L33 HydrophobicContact CG2-CB 4.34Å; I5-L33 HydrophobicContact CG2-CD1 3.82Å; I5-L33 HydrophobicContact CG2-CG 4.2Å; F6-L33 PolarHBondContact O-N 3.44Å; V7-L33 WeakPolarHBondContact CA-O 3.24Å; N8-L33 PolarHBondContact N-O 3.26Å; L33-E37 HydrophobicContact CB-CB 4.24Å; L33-E37 HydrophobicContact CD2-CB 4.16Å; L33-V38 HydrophobicContact CB-CG2 3.76Å; L33-V38 HydrophobicContact CD1-CG2 3.99Å; L33-L41 HydrophobicContact CD1-CD1 3.92Å; L33-L41 HydrophobicContact CD2-CD1 4.13Å; L33-Y42 HydrophobicContact CD1-CE2 4.21Å
34S89.9Confident83.1Confident27 Ų2776.7 Ų76.719%0.18939%0.394CS..  trans-77.3162163.663.40000111.4C36 E37 V38S34-C36 PolarHBondContact O-N 2.87Å; S34-E37 VanDerWaalsContact CB-OE2 3.3Å; S34-E37 WeakPolarHBondContact CB-OE2 3.48Å; S34-E37 PolarHBondContact N-OE2 3.46Å; S34-E37 PolarHBondContact O-N 3.33Å; S34-E37 VanDerWaalsContact O-N 3.1Å; S34-E37 VanDerWaalsContact OG-CD 3.31Å; S34-E37 VanDerWaalsContact OG-CG 3.31Å; S34-E37 WeakPolarHBondContact OG-CG 3.24Å; S34-E37 PolarHBondContact OG-N 2.9Å; S34-E37 PolarHBondContact OG-OE2 3.26Å; S34-V38 WeakPolarHBondContact O-CG2 3.45Å; S34-V38 PolarHBondContact O-N 3.13Å
35S88Confident83.5Confident26 Ų2679.7 Ų79.718%0.18241%0.406CS..Hα-helixtrans-53.9-42.6172.6-54.20000111.4E9 E37 V38 I39E9-S35 WeakPolarHBondContact OE2-CA 3.35Å; E9-S35 WeakPolarHBondContact OE2-CB 3.47Å; E9-S35 PolarHBondContact OE2-N 3.1Å; E9-S35 PolarHBondContact OE2-OG 2.88Å; S35-E37 VanDerWaalsContact C-N 3.32Å; S35-E37 PolarHBondContact O-N 3.32Å; S35-V38 PolarHBondContact O-N 2.88Å; S35-I39 WeakPolarHBondContact O-CG1 3.35Å; S35-I39 PolarHBondContact O-N 3.3Å; S35-I39 VanDerWaalsContact O-N 3.11Å
36C87.6Confident83.9Confident75 Ų7578.2 Ų78.251%0.50740%0.404SS..Hα-helixtrans-65.1-32.5179.4-72.50000113.1S34 K40S34-C36 PolarHBondContact O-N 2.87Å; C36-K40 WeakPolarHBondContact O-CD 3.47Å; C36-K40 WeakPolarHBondContact O-CG 3.47Å; C36-K40 PolarHBondContact O-N 3.3Å
37E89Confident84.1Confident90 Ų9077.4 Ų77.442%0.42142%0.415SS..Hα-helixtrans-78.2-40.9176-72.6161.7124.900111.5L33 S34 S35 I39 K40 L41L33-E37 HydrophobicContact CB-CB 4.24Å; L33-E37 HydrophobicContact CD2-CB 4.16Å; S34-E37 VanDerWaalsContact CB-OE2 3.3Å; S34-E37 WeakPolarHBondContact CB-OE2 3.48Å; S34-E37 PolarHBondContact N-OE2 3.46Å; S34-E37 PolarHBondContact O-N 3.33Å; S34-E37 VanDerWaalsContact O-N 3.1Å; S34-E37 VanDerWaalsContact OG-CD 3.31Å; S34-E37 VanDerWaalsContact OG-CG 3.31Å; S34-E37 WeakPolarHBondContact OG-CG 3.24Å; S34-E37 PolarHBondContact OG-N 2.9Å; S34-E37 PolarHBondContact OG-OE2 3.26Å; S35-E37 VanDerWaalsContact C-N 3.32Å; S35-E37 PolarHBondContact O-N 3.32Å; E37-I39 PolarHBondContact O-N 2.71Å; E37-K40 PolarHBondContact O-N 3Å; E37-L41 HydrophobicContact CB-CD1 4.35Å; E37-L41 VanDerWaalsContact O-CB 3.31Å; E37-L41 WeakPolarHBondContact O-CB 3.34Å; E37-L41 VanDerWaalsContact O-CG 3.29Å; E37-L41 WeakPolarHBondContact O-CG 3.4Å; E37-L41 PolarHBondContact O-N 3.41Å
38V89.5Confident84Confident0 Ų075.1 Ų75.10%040%0.397CS..Hα-helixtrans-58.3-48.4176.9172.50000111.3I5 V7 L33 S34 S35 K40 L41 Y42 F52 L65I5-V38 HydrophobicContact CG2-CG2 4.29Å; V7-V38 HydrophobicContact CG2-CG2 4.08Å; L33-V38 HydrophobicContact CB-CG2 3.76Å; L33-V38 HydrophobicContact CD1-CG2 3.99Å; S34-V38 WeakPolarHBondContact O-CG2 3.45Å; S34-V38 PolarHBondContact O-N 3.13Å; S35-V38 PolarHBondContact O-N 2.88Å; V38-K40 VanDerWaalsContact C-N 3.29Å; V38-K40 PolarHBondContact O-N 2.93Å; V38-L41 PolarHBondContact O-N 2.59Å; V38-Y42 HydrophobicContact CG1-CD2 4.38Å; V38-Y42 WeakPolarHBondContact O-CB 3.48Å; V38-Y42 PolarHBondContact O-N 2.88Å; V38-F52 HydrophobicContact CG1-CD1 4.21Å; V38-F52 HydrophobicContact CG1-CE1 3.89Å; V38-L65 HydrophobicContact CG1-CD1 4.12Å; V38-L65 HydrophobicContact CG1-CD2 3.81Å; V38-L65 HydrophobicContact CG1-CG 4.16Å
39I88.9Confident84.1Confident54 Ų5477.2 Ų77.228%0.27741%0.409SS..Hα-helixtrans-62.3-36.2179-64.6165.6000111.4S35 E37 E60 C61 H64S35-I39 WeakPolarHBondContact O-CG1 3.35Å; S35-I39 PolarHBondContact O-N 3.3Å; S35-I39 VanDerWaalsContact O-N 3.11Å; E37-I39 PolarHBondContact O-N 2.71Å; I39-E60 HydrophobicContact CD1-CB 4.4Å; I39-C61 HydrophobicContact CD1-CB 4.32Å; I39-H64 HydrophobicContact CG1-CB 4.38Å
40K88.2Confident84.7Confident161 Ų16173 Ų7370%0.738%0.38SS*.Hα-helixtrans-76.6-37.6179.4-72.5170.8-168.9171.30113.8C36 E37 V38C36-K40 WeakPolarHBondContact O-CD 3.47Å; C36-K40 WeakPolarHBondContact O-CG 3.47Å; C36-K40 PolarHBondContact O-N 3.3Å; E37-K40 PolarHBondContact O-N 3Å; V38-K40 VanDerWaalsContact C-N 3.29Å; V38-K40 PolarHBondContact O-N 2.93Å
41L87Confident84.9Confident105 Ų10572.1 Ų72.155%0.5537%0.374SS..Hα-helixtrans-83.4-28.5-176.8-69170.1000112.4L33 E37 V38 P43L33-L41 HydrophobicContact CD1-CD1 3.92Å; L33-L41 HydrophobicContact CD2-CD1 4.13Å; E37-L41 HydrophobicContact CB-CD1 4.35Å; E37-L41 VanDerWaalsContact O-CB 3.31Å; E37-L41 WeakPolarHBondContact O-CB 3.34Å; E37-L41 VanDerWaalsContact O-CG 3.29Å; E37-L41 WeakPolarHBondContact O-CG 3.4Å; E37-L41 PolarHBondContact O-N 3.41Å; V38-L41 PolarHBondContact O-N 2.59Å; L41-P43 WeakPolarHBondContact O-CD 3.31Å
42Y88.2Confident85.2Confident38 Ų3867.5 Ų67.515%0.14935%0.354CS..  trans-121.460.8-178.9-56.9-77.8000112E3 I5 L33 V38 L44 P46 F52 H64 L68E3-Y42 PolarHBondContact OE1-OH 3.22Å; I5-Y42 HydrophobicContact CD1-CE2 3.56Å; I5-Y42 VanDerWaalsContact CD1-OH 3.27Å; I5-Y42 WeakPolarHBondContact CD1-OH 3.29Å; L33-Y42 HydrophobicContact CD1-CE2 4.21Å; V38-Y42 HydrophobicContact CG1-CD2 4.38Å; V38-Y42 WeakPolarHBondContact O-CB 3.48Å; V38-Y42 PolarHBondContact O-N 2.88Å; Y42-L44 PolarHBondContact O-N 3.37Å; Y42-P46 HydrophobicContact CD1-CB 4.21Å; Y42-P46 HydrophobicContact CE1-CB 4.37Å; Y42-F52 HydrophobicContact CD1-CZ 4.34Å; Y42-F52 AromaticContact CD2-CE1 3.99Å; Y42-F52 HydrophobicContact CD2-CE1 3.99Å; Y42-F52 HydrophobicContact CD2-CZ 4.03Å; Y42-F52 HydrophobicContact CE2-CE1 4.21Å; Y42-F52 HydrophobicContact CE2-CZ 4.32Å; Y42-F52 HydrophobicContact CG-CE1 4.45Å; Y42-F52 HydrophobicContact CG-CZ 4.05Å; Y42-H64 PolarHBondContact O-NE2 2.98Å; Y42-L68 WeakPolarHBondContact O-CD1 3.36Å
43P83.6Confident85.4Confident83 Ų8363.9 Ų63.954%0.53934%0.341SS..SBendtrans-71.7-12.3176.932.2-37.1000113.2L41L41-P43 WeakPolarHBondContact O-CD 3.31Å
44L85.1Confident85.6Confident135 Ų13563 Ų6371%0.70734%0.336SS*.SBendtrans-136.4162.4177-67.9173.2000108.8Y42Y42-L44 PolarHBondContact O-N 3.37Å
45K83.5Confident85.6Confident132 Ų13262 Ų6257%0.57433%0.33SS*.  trans-59.1127.9179.9-171.4176.3-175.8150.80110.3L68 G69 V70K45-L68 HydrophobicContact CB-CB 4.43Å; K45-L68 WeakPolarHBondContact CD-O 3.41Å; K45-G69 PolarHBondContact NZ-O 2.95Å; K45-V70 HydrophobicContact CG-CG1 4.01Å
46P81.8Confident85.6Confident28 Ų2864.8 Ų64.818%0.18234%0.336CS..  trans-62.9149178.625.2-33.7000111.8Y42 K48 V50 V70Y42-P46 HydrophobicContact CD1-CB 4.21Å; Y42-P46 HydrophobicContact CE1-CB 4.37Å; P46-K48 VanDerWaalsContact C-N 3.26Å; P46-K48 PolarHBondContact O-N 3.29Å; P46-V50 HydrophobicContact CB-CB 4.44Å; P46-V50 HydrophobicContact CB-CG2 3.98Å; P46-V50 HydrophobicContact CG-CB 4.09Å; P46-V50 HydrophobicContact CG-CG2 4.18Å; P46-V70 HydrophobicContact CG-CG1 4.08Å
47S66.3Low85.8Confident131 Ų13162.4 Ų62.492%0.91632%0.317SS*.SBendtrans-833.4178.754.90000114.4
48K68.7Low85.8Confident116 Ų11662.2 Ų62.250%0.50432%0.319SS..SBendtrans-124.4158.4178-74.7175.3164.4-1090109.5D2 P46 V50D2-K48 HydrophobicContact CB-CB 4.42Å; D2-K48 HydrophobicContact CB-CD 4.18Å; D2-K48 WeakPolarHBondContact OD2-CD 3.4Å; D2-K48 IonicContact OD2-NZ 3.9Å; D2-K48 PolarHBondContact OD2-NZ 2.96Å; P46-K48 VanDerWaalsContact C-N 3.26Å; P46-K48 PolarHBondContact O-N 3.29Å; K48-V50 HydrophobicContact CB-CG2 4.16Å; K48-V50 PolarHBondContact O-N 3.33Å
49D76.1Confident85.8Confident106 Ų10664.3 Ų64.357%0.56734%0.34SS*.  trans-69.782.5168.3-81.4-13.2000110.5M1 D2M1-D49 WeakPolarHBondContact CA-O 3.49Å; M1-D49 HydrophobicContact CG-CB 4.49Å; D2-D49 PolarHBondContact N-O 3.47Å
50V86.7Confident85.8Confident9 Ų969.5 Ų69.56%0.05536%0.363CS..EExtended strand (participates in β ladder)trans-96.5128.1171.8-177.10000108.7E3 I5 P46 K48 F52E3-V50 HydrophobicContact CB-CG1 4.31Å; E3-V50 HydrophobicContact CB-CG2 4.24Å; E3-V50 WeakPolarHBondContact O-CA 3.34Å; I5-V50 HydrophobicContact CD1-CG1 3.51Å; I5-V50 HydrophobicContact CG1-CG1 3.92Å; P46-V50 HydrophobicContact CB-CB 4.44Å; P46-V50 HydrophobicContact CB-CG2 3.98Å; P46-V50 HydrophobicContact CG-CB 4.09Å; P46-V50 HydrophobicContact CG-CG2 4.18Å; K48-V50 HydrophobicContact CB-CG2 4.16Å; K48-V50 PolarHBondContact O-N 3.33Å; V50-F52 HydrophobicContact CB-CE2 4.21Å; V50-F52 HydrophobicContact CG1-CD2 4.39Å; V50-F52 HydrophobicContact CG1-CE1 4.45Å; V50-F52 HydrophobicContact CG1-CE2 3.72Å; V50-F52 HydrophobicContact CG1-CZ 3.76Å
51C90Very high85.9Confident2 Ų262.2 Ų62.21%0.01433%0.333CS..EExtended strand (participates in β ladder)trans-109.8135.5178-63.50000110.8M1 E3 I4 I5 Y73M1-C51 VanDerWaalsContact CE-SG 3.54Å; E3-C51 PolarHBondContact O-N 3.33Å; I4-C51 CarbonylContact C-O 3.6Å; I4-C51 WeakPolarHBondContact CA-O 3.32Å; I5-C51 PolarHBondContact N-O 3.27Å; C51-Y73 HydrophobicContact CB-CD2 4.12Å; C51-Y73 HydrophobicContact CB-CE2 3.93Å
52F92.9Very high86.2Confident0 Ų057.6 Ų57.60%031%0.308CS..EExtended strand (participates in β ladder)trans-107.3134.2-177.9-64.5-95000110.6I5 V38 Y42 V50 L54 L65 V70 S71 I72 Y73I5-F52 HydrophobicContact CB-CD1 3.93Å; I5-F52 HydrophobicContact CB-CE1 4.14Å; I5-F52 HydrophobicContact CD1-CD1 4.46Å; I5-F52 HydrophobicContact CD1-CE1 3.8Å; I5-F52 HydrophobicContact CD1-CZ 4.16Å; I5-F52 HydrophobicContact CG1-CE1 4.49Å; I5-F52 HydrophobicContact CG2-CD1 4.01Å; I5-F52 HydrophobicContact CG2-CE1 4.15Å; I5-F52 CarbonylContact O-C 3.55Å; I5-F52 WeakPolarHBondContact O-CA 3.38Å; V38-F52 HydrophobicContact CG1-CD1 4.21Å; V38-F52 HydrophobicContact CG1-CE1 3.89Å; Y42-F52 HydrophobicContact CD1-CZ 4.34Å; Y42-F52 AromaticContact CD2-CE1 3.99Å; Y42-F52 HydrophobicContact CD2-CE1 3.99Å; Y42-F52 HydrophobicContact CD2-CZ 4.03Å; Y42-F52 HydrophobicContact CE2-CE1 4.21Å; Y42-F52 HydrophobicContact CE2-CZ 4.32Å; Y42-F52 HydrophobicContact CG-CE1 4.45Å; Y42-F52 HydrophobicContact CG-CZ 4.05Å; V50-F52 HydrophobicContact CB-CE2 4.21Å; V50-F52 HydrophobicContact CG1-CD2 4.39Å; V50-F52 HydrophobicContact CG1-CE1 4.45Å; V50-F52 HydrophobicContact CG1-CE2 3.72Å; V50-F52 HydrophobicContact CG1-CZ 3.76Å; F52-L54 HydrophobicContact CB-CD1 3.97Å; F52-L65 HydrophobicContact CB-CD1 3.89Å; F52-L65 HydrophobicContact CD1-CD1 3.83Å; F52-L65 HydrophobicContact CD1-CD2 3.76Å; F52-L65 HydrophobicContact CD1-CG 4.48Å; F52-L65 HydrophobicContact CD2-CD2 3.95Å; F52-L65 HydrophobicContact CE1-CD2 3.7Å; F52-L65 HydrophobicContact CE2-CD2 3.9Å; F52-L65 HydrophobicContact CG-CD1 3.84Å; F52-L65 HydrophobicContact CG-CD2 3.89Å; F52-L65 HydrophobicContact CG-CG 4.5Å; F52-L65 HydrophobicContact CZ-CD2 3.77Å; F52-V70 HydrophobicContact CD2-CB 4.21Å; F52-V70 HydrophobicContact CD2-CG2 3.63Å; F52-V70 HydrophobicContact CE2-CB 4.18Å; F52-V70 HydrophobicContact CE2-CG1 4.38Å; F52-V70 HydrophobicContact CE2-CG2 3.83Å; F52-S71 PolarHBondContact N-O 3.26Å; F52-I72 CarbonylContact O-C 3.36Å; F52-I72 WeakPolarHBondContact O-CA 3.48Å; F52-Y73 PolarHBondContact O-N 3.4Å
53V93.6Very high86.4Confident0 Ų060 Ų600%032%0.323CS..EExtended strand (participates in β ladder)trans-114.8116.3178.6-169.20000109.2I4 I5 F6 V7 L15 Y73 P75 I78I4-V53 HydrophobicContact CG2-CG2 3.7Å; I5-V53 PolarHBondContact O-N 2.96Å; F6-V53 HydrophobicContact CD1-CB 3.81Å; F6-V53 HydrophobicContact CD1-CG1 3.92Å; F6-V53 HydrophobicContact CD1-CG2 4.26Å; F6-V53 HydrophobicContact CD2-CG2 4.46Å; F6-V53 HydrophobicContact CE1-CB 3.99Å; F6-V53 HydrophobicContact CE1-CG1 3.86Å; F6-V53 HydrophobicContact CE1-CG2 4.05Å; F6-V53 HydrophobicContact CE2-CG2 4.28Å; F6-V53 HydrophobicContact CG-CB 4.14Å; F6-V53 HydrophobicContact CG-CG2 4.46Å; F6-V53 HydrophobicContact CZ-CB 4.49Å; F6-V53 HydrophobicContact CZ-CG2 4.06Å; V7-V53 PolarHBondContact N-O 3.11Å; L15-V53 HydrophobicContact CD1-CB 4.47Å; L15-V53 HydrophobicContact CD1-CG1 3.9Å; V53-Y73 VanDerWaalsContact CA-O 3.28Å; V53-Y73 WeakPolarHBondContact CA-O 3.12Å; V53-P75 HydrophobicContact CG1-CG 4.36Å; V53-I78 HydrophobicContact CG1-CG1 4.07Å; V53-I78 HydrophobicContact CG2-CD1 4.02Å; V53-I78 HydrophobicContact CG2-CG1 3.99Å
54L93.1Very high86.8Confident6 Ų658 Ų583%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-121.7135.5-178.9-68.992.2000110.8V7 F52 R56 F57 L65 I72 Y73 P75V7-L54 HydrophobicContact CB-CD2 4.39Å; V7-L54 HydrophobicContact CB-CG 3.98Å; V7-L54 HydrophobicContact CG2-CD1 4.08Å; V7-L54 HydrophobicContact CG2-CD2 4.26Å; V7-L54 HydrophobicContact CG2-CG 3.75Å; F52-L54 HydrophobicContact CB-CD1 3.97Å; L54-R56 WeakPolarHBondContact CB-O 3.38Å; L54-R56 PolarHBondContact O-N 3.04Å; L54-F57 HydrophobicContact CB-CD1 4.36Å; L54-F57 HydrophobicContact CB-CE1 4.4Å; L54-L65 HydrophobicContact CD1-CD1 3.79Å; L54-L65 HydrophobicContact CD2-CD1 4.41Å; L54-I72 HydrophobicContact CD1-CG2 3.75Å; L54-Y73 PolarHBondContact N-O 2.69Å; L54-P75 WeakPolarHBondContact O-CD 3.49Å
55A89.7Confident87.1Confident6 Ų651.5 Ų51.55%0.0527%0.273CS..SBendtrans-68-21.4179.700000113.9P10 L15 F96P10-A55 HydrophobicContact CG-CB 4.44Å; L15-A55 HydrophobicContact CB-CB 4.37Å; L15-A55 HydrophobicContact CD2-CB 4.44Å; A55-F96 WeakPolarHBondContact O-CE2 3.35Å
56R89.1Confident87.5Confident84 Ų8450.9 Ų50.932%0.31727%0.267SS..SBendtrans-142.9154.8175-63.417360.994.6-5.9109.6P10 L54 D58 E174P10-R56 HydrophobicContact CG-CG 4.11Å; L54-R56 WeakPolarHBondContact CB-O 3.38Å; L54-R56 PolarHBondContact O-N 3.04Å; R56-D58 WeakPolarHBondContact CB-OD1 3.34Å; R56-D58 IonicContact CZ-OD1 3.33Å; R56-D58 IonicContact CZ-OD2 2.7Å; R56-D58 IonicContact NE-OD1 2.67Å; R56-D58 PolarHBondContact NE-OD1 3.48Å; R56-D58 IonicContact NE-OD2 3.62Å; R56-D58 PolarHBondContact NE-OD2 3.18Å; R56-D58 IonicContact NH2-OD1 3.34Å; R56-D58 IonicContact NH2-OD2 2.67Å; R56-D58 PolarHBondContact NH2-OD2 3.27Å; R56-E174 IonicContact CZ-OE2 3.72Å; R56-E174 VanDerWaalsContact NH1-CD 3.31Å; R56-E174 IonicContact NH1-OE1 3.52Å; R56-E174 PolarHBondContact NH1-OE1 2.88Å; R56-E174 IonicContact NH1-OE2 3.75Å; R56-E174 PolarHBondContact NH1-OE2 3.09Å
57F91.6Very high87.9Confident25 Ų2553.9 Ų53.911%0.1129%0.289CS..SBendtrans-106.252.3176.9-74.31.8000111.1L54 Y62 I72 P94 F96 M124 W170L54-F57 HydrophobicContact CB-CD1 4.36Å; L54-F57 HydrophobicContact CB-CE1 4.4Å; F57-Y62 VanDerWaalsContact C-CD1 3.46Å; F57-Y62 HydrophobicContact CB-CD1 4.44Å; F57-Y62 HydrophobicContact CB-CD2 3.88Å; F57-Y62 HydrophobicContact CB-CE1 4.18Å; F57-Y62 HydrophobicContact CB-CE2 3.6Å; F57-Y62 HydrophobicContact CB-CG 4.29Å; F57-Y62 AromaticContact CD1-CD2 3.95Å; F57-Y62 HydrophobicContact CD1-CD2 3.95Å; F57-Y62 AromaticContact CD1-CE2 3.95Å; F57-Y62 HydrophobicContact CD1-CE2 3.95Å; F57-Y62 AromaticContact CD2-CE2 3.92Å; F57-Y62 HydrophobicContact CD2-CE2 3.92Å; F57-Y62 AromaticContact CG-CD2 3.94Å; F57-Y62 HydrophobicContact CG-CD2 3.94Å; F57-Y62 AromaticContact CG-CE2 3.56Å; F57-Y62 HydrophobicContact CG-CE2 3.56Å; F57-Y62 VanDerWaalsContact O-CD1 3.31Å; F57-Y62 WeakPolarHBondContact O-CD1 3.34Å; F57-Y62 VanDerWaalsContact O-CE1 3.29Å; F57-Y62 WeakPolarHBondContact O-CE1 3.41Å; F57-I72 HydrophobicContact CD1-CG2 4.25Å; F57-I72 HydrophobicContact CE1-CG2 3.56Å; F57-I72 HydrophobicContact CZ-CG2 3.76Å; F57-P94 HydrophobicContact CD2-CB 3.96Å; F57-P94 HydrophobicContact CE2-CB 3.43Å; F57-P94 VanDerWaalsContact CE2-CB 3.43Å; F57-P94 HydrophobicContact CZ-CB 3.95Å; F57-F96 AromaticContact CD1-CD2 3.83Å; F57-F96 HydrophobicContact CD1-CD2 3.83Å; F57-F96 HydrophobicContact CD1-CE2 4.41Å; F57-F96 HydrophobicContact CD2-CB 3.85Å; F57-F96 HydrophobicContact CD2-CD2 4.03Å; F57-F96 HydrophobicContact CD2-CG 4.32Å; F57-F96 AromaticContact CE1-CD2 3.88Å; F57-F96 HydrophobicContact CE1-CD2 3.88Å; F57-F96 HydrophobicContact CE2-CB 3.57Å; F57-F96 HydrophobicContact CE2-CD2 4.12Å; F57-F96 HydrophobicContact CE2-CG 4.33Å; F57-F96 AromaticContact CG-CD2 3.9Å; F57-F96 HydrophobicContact CG-CD2 3.9Å; F57-F96 HydrophobicContact CZ-CB 4.04Å; F57-F96 HydrophobicContact CZ-CD2 4.04Å; F57-M124 HydrophobicContact CD2-CE 3.72Å; F57-M124 HydrophobicContact CE2-CE 4.37Å; F57-W170 HydrophobicContact CB-CZ3 4.43Å; F57-W170 HydrophobicContact CD2-CH2 4.07Å; F57-W170 HydrophobicContact CD2-CZ3 4.36Å
58D88.5Confident89Confident85 Ų8549 Ų4946%0.45525%0.252SS..  trans-141161.1172.759.8-8.2000111.8R56R56-D58 WeakPolarHBondContact CB-OD1 3.34Å; R56-D58 IonicContact CZ-OD1 3.33Å; R56-D58 IonicContact CZ-OD2 2.7Å; R56-D58 IonicContact NE-OD1 2.67Å; R56-D58 PolarHBondContact NE-OD1 3.48Å; R56-D58 IonicContact NE-OD2 3.62Å; R56-D58 PolarHBondContact NE-OD2 3.18Å; R56-D58 IonicContact NH2-OD1 3.34Å; R56-D58 IonicContact NH2-OD2 2.67Å; R56-D58 PolarHBondContact NH2-OD2 3.27Å
59G88.4Confident89.8Confident44 Ų4445.6 Ų45.645%0.45425%0.25SS..SBendtrans89.4167.1178.500000115.5C61 Y62 D63G59-C61 VanDerWaalsContact C-N 3.28Å; G59-C61 PolarHBondContact O-N 3.3Å; G59-C61 VanDerWaalsContact O-N 3.14Å; G59-Y62 PolarHBondContact O-N 2.78Å; G59-D63 PolarHBondContact O-N 2.94Å; G59-D63 VanDerWaalsContact O-N 3.09Å
60E89.4Confident90.5Very high163 Ų16341.5 Ų41.576%0.76223%0.229SC*.Hα-helixtrans-55.3-37-167.9-60.4-176.3160.900114.1I39 H64I39-E60 HydrophobicContact CD1-CB 4.4Å; E60-H64 WeakPolarHBondContact O-CB 3.34Å; E60-H64 PolarHBondContact O-N 3.42Å
61C91.6Very high90.7Very high8 Ų842.4 Ų42.45%0.05424%0.235CC..Hα-helixtrans-67-42.1178.8-171.90000112.1I39 G59 L65I39-C61 HydrophobicContact CD1-CB 4.32Å; G59-C61 VanDerWaalsContact C-N 3.28Å; G59-C61 PolarHBondContact O-N 3.3Å; G59-C61 VanDerWaalsContact O-N 3.14Å; C61-L65 WeakPolarHBondContact O-CB 3.18Å; C61-L65 VanDerWaalsContact O-CG 3.25Å; C61-L65 WeakPolarHBondContact O-CG 3.32Å; C61-L65 PolarHBondContact O-N 3.5Å
62Y93.4Very high90.8Very high9 Ų942.4 Ų42.44%0.03524%0.235CC..Hα-helixtrans-65.8-47.4176168.9-103.7000111.1F57 G59 H64 L65 R66 I72 P94 M124F57-Y62 VanDerWaalsContact C-CD1 3.46Å; F57-Y62 HydrophobicContact CB-CD1 4.44Å; F57-Y62 HydrophobicContact CB-CD2 3.88Å; F57-Y62 HydrophobicContact CB-CE1 4.18Å; F57-Y62 HydrophobicContact CB-CE2 3.6Å; F57-Y62 HydrophobicContact CB-CG 4.29Å; F57-Y62 AromaticContact CD1-CD2 3.95Å; F57-Y62 HydrophobicContact CD1-CD2 3.95Å; F57-Y62 AromaticContact CD1-CE2 3.95Å; F57-Y62 HydrophobicContact CD1-CE2 3.95Å; F57-Y62 AromaticContact CD2-CE2 3.92Å; F57-Y62 HydrophobicContact CD2-CE2 3.92Å; F57-Y62 AromaticContact CG-CD2 3.94Å; F57-Y62 HydrophobicContact CG-CD2 3.94Å; F57-Y62 AromaticContact CG-CE2 3.56Å; F57-Y62 HydrophobicContact CG-CE2 3.56Å; F57-Y62 VanDerWaalsContact O-CD1 3.31Å; F57-Y62 WeakPolarHBondContact O-CD1 3.34Å; F57-Y62 VanDerWaalsContact O-CE1 3.29Å; F57-Y62 WeakPolarHBondContact O-CE1 3.41Å; G59-Y62 PolarHBondContact O-N 2.78Å; Y62-H64 VanDerWaalsContact C-N 3.35Å; Y62-H64 PolarHBondContact O-N 2.84Å; Y62-L65 PolarHBondContact O-N 3.15Å; Y62-R66 WeakPolarHBondContact O-CB 3.19Å; Y62-R66 PolarHBondContact O-N 3.3Å; Y62-I72 HydrophobicContact CD2-CD1 4.39Å; Y62-I72 HydrophobicContact CD2-CG2 4.38Å; Y62-I72 HydrophobicContact CE2-CD1 4.39Å; Y62-I72 HydrophobicContact CE2-CG2 4.42Å; Y62-P94 HydrophobicContact CE2-CB 4.11Å; Y62-P94 HydrophobicContact CE2-CG 4.02Å; Y62-M124 WeakPolarHBondContact OH-CE 3.25Å
63D92.1Very high90.9Very high87 Ų8742.6 Ų42.647%0.46524%0.236SC..Hα-helixtrans-65.2-37.7179.5-74.9-44.5000112.2G59 R66 S67G59-D63 PolarHBondContact O-N 2.94Å; G59-D63 VanDerWaalsContact O-N 3.09Å; D63-R66 PolarHBondContact O-N 3.45Å; D63-S67 WeakPolarHBondContact O-CB 3.2Å; D63-S67 PolarHBondContact O-N 3.16Å
64H92.3Very high90.9Very high41 Ų4142.6 Ų42.619%0.1924%0.236CC..Hα-helixtrans-60.1-55.7172.5177.365.9000111.6I39 Y42 E60 Y62 R66 S67 L68I39-H64 HydrophobicContact CG1-CB 4.38Å; Y42-H64 PolarHBondContact O-NE2 2.98Å; E60-H64 WeakPolarHBondContact O-CB 3.34Å; E60-H64 PolarHBondContact O-N 3.42Å; Y62-H64 VanDerWaalsContact C-N 3.35Å; Y62-H64 PolarHBondContact O-N 2.84Å; H64-R66 VanDerWaalsContact C-N 3.29Å; H64-R66 PolarHBondContact O-N 3.45Å; H64-S67 WeakPolarHBondContact O-CB 3.31Å; H64-S67 PolarHBondContact O-N 3.23Å; H64-S67 VanDerWaalsContact O-N 3.07Å; H64-S67 PolarHBondContact O-OG 2.85Å; H64-L68 PolarHBondContact O-N 2.79Å
65L91.3Very high90.9Very high0 Ų042.5 Ų42.50%024%0.236CC..Hα-helixtrans-59.6-39.8178.2-69.3171.1000111.9V38 F52 L54 C61 Y62 S67 L68 G69 V70 I72V38-L65 HydrophobicContact CG1-CD1 4.12Å; V38-L65 HydrophobicContact CG1-CD2 3.81Å; V38-L65 HydrophobicContact CG1-CG 4.16Å; F52-L65 HydrophobicContact CB-CD1 3.89Å; F52-L65 HydrophobicContact CD1-CD1 3.83Å; F52-L65 HydrophobicContact CD1-CD2 3.76Å; F52-L65 HydrophobicContact CD1-CG 4.48Å; F52-L65 HydrophobicContact CD2-CD2 3.95Å; F52-L65 HydrophobicContact CE1-CD2 3.7Å; F52-L65 HydrophobicContact CE2-CD2 3.9Å; F52-L65 HydrophobicContact CG-CD1 3.84Å; F52-L65 HydrophobicContact CG-CD2 3.89Å; F52-L65 HydrophobicContact CG-CG 4.5Å; F52-L65 HydrophobicContact CZ-CD2 3.77Å; L54-L65 HydrophobicContact CD1-CD1 3.79Å; L54-L65 HydrophobicContact CD2-CD1 4.41Å; C61-L65 WeakPolarHBondContact O-CB 3.18Å; C61-L65 VanDerWaalsContact O-CG 3.25Å; C61-L65 WeakPolarHBondContact O-CG 3.32Å; C61-L65 PolarHBondContact O-N 3.5Å; Y62-L65 PolarHBondContact O-N 3.15Å; L65-S67 VanDerWaalsContact C-N 3.31Å; L65-S67 PolarHBondContact O-N 3.33Å; L65-L68 PolarHBondContact O-N 2.82Å; L65-L68 VanDerWaalsContact O-N 3.16Å; L65-G69 PolarHBondContact O-N 3.12Å; L65-V70 HydrophobicContact CB-CG2 4.04Å; L65-V70 HydrophobicContact CD2-CG2 4.03Å; L65-I72 HydrophobicContact CB-CD1 3.6Å; L65-I72 HydrophobicContact CB-CG1 4.23Å
66R90.2Very high91Very high118 Ų11842.3 Ų42.345%0.44523%0.234SC..Hα-helixtrans-62.4-37.5176.1-171.2-176-172.9-169.35.6111.7Y62 D63 H64 L68 G69 I72Y62-R66 WeakPolarHBondContact O-CB 3.19Å; Y62-R66 PolarHBondContact O-N 3.3Å; D63-R66 PolarHBondContact O-N 3.45Å; H64-R66 VanDerWaalsContact C-N 3.29Å; H64-R66 PolarHBondContact O-N 3.45Å; R66-L68 VanDerWaalsContact C-N 3.29Å; R66-L68 PolarHBondContact O-N 2.9Å; R66-G69 PolarHBondContact O-N 2.75Å; R66-G69 VanDerWaalsContact O-N 3.15Å; R66-I72 HydrophobicContact CB-CD1 4.38Å
67S90.2Very high91.2Very high92 Ų9238.3 Ų38.364%0.64322%0.219SC*.Hα-helixtrans-65.8-30.4175.682.80000113.2D63 H64 L65 G69D63-S67 WeakPolarHBondContact O-CB 3.2Å; D63-S67 PolarHBondContact O-N 3.16Å; H64-S67 WeakPolarHBondContact O-CB 3.31Å; H64-S67 PolarHBondContact O-N 3.23Å; H64-S67 VanDerWaalsContact O-N 3.07Å; H64-S67 PolarHBondContact O-OG 2.85Å; L65-S67 VanDerWaalsContact C-N 3.31Å; L65-S67 PolarHBondContact O-N 3.33Å; S67-G69 VanDerWaalsContact C-N 3.29Å; S67-G69 PolarHBondContact O-N 2.96Å
68L89.2Confident91.3Very high28 Ų2837.3 Ų37.315%0.14722%0.215CC..Hα-helixtrans-77.7-11.8174.5-59.5-178.9000113.3Y42 K45 H64 L65 R66 V70Y42-L68 WeakPolarHBondContact O-CD1 3.36Å; K45-L68 HydrophobicContact CB-CB 4.43Å; K45-L68 WeakPolarHBondContact CD-O 3.41Å; H64-L68 PolarHBondContact O-N 2.79Å; L65-L68 PolarHBondContact O-N 2.82Å; L65-L68 VanDerWaalsContact O-N 3.16Å; R66-L68 VanDerWaalsContact C-N 3.29Å; R66-L68 PolarHBondContact O-N 2.9Å; L68-V70 HydrophobicContact CB-CG1 4.13Å; L68-V70 PolarHBondContact O-N 3.04Å
69G87.3Confident91.4Very high45 Ų4533.6 Ų33.646%0.46420%0.195SC..THydrogen-bonded Turntrans57.846.2-17800000112.7K45 L65 R66 S67K45-G69 PolarHBondContact NZ-O 2.95Å; L65-G69 PolarHBondContact O-N 3.12Å; R66-G69 PolarHBondContact O-N 2.75Å; R66-G69 VanDerWaalsContact O-N 3.15Å; S67-G69 VanDerWaalsContact C-N 3.29Å; S67-G69 PolarHBondContact O-N 2.96Å
70V89.3Confident91.5Very high20 Ų2033 Ų3312%0.12118%0.18CC..  trans-92.8164.7172.6-62.90000111.3K45 P46 F52 L65 L68 I72K45-V70 HydrophobicContact CG-CG1 4.01Å; P46-V70 HydrophobicContact CG-CG1 4.08Å; F52-V70 HydrophobicContact CD2-CB 4.21Å; F52-V70 HydrophobicContact CD2-CG2 3.63Å; F52-V70 HydrophobicContact CE2-CB 4.18Å; F52-V70 HydrophobicContact CE2-CG1 4.38Å; F52-V70 HydrophobicContact CE2-CG2 3.83Å; L65-V70 HydrophobicContact CB-CG2 4.04Å; L65-V70 HydrophobicContact CD2-CG2 4.03Å; L68-V70 HydrophobicContact CB-CG1 4.13Å; L68-V70 PolarHBondContact O-N 3.04Å; V70-I72 HydrophobicContact CG2-CD1 4.45Å; V70-I72 HydrophobicContact CG2-CG1 4.06Å; V70-I72 PolarHBondContact O-N 3.16Å
71S90.6Very high91.6Very high27 Ų2726.7 Ų26.719%0.18915%0.15CC..EExtended strand (participates in β ladder)trans-72.5115.9176.4-52.90000110.6F52F52-S71 PolarHBondContact N-O 3.26Å
72I93.8Very high91.4Very high2 Ų227.8 Ų27.81%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-119.6126.4-177.5-59.7171.4000109.2F52 L54 F57 Y62 L65 R66 V70 P94 L95F52-I72 CarbonylContact O-C 3.36Å; F52-I72 WeakPolarHBondContact O-CA 3.48Å; L54-I72 HydrophobicContact CD1-CG2 3.75Å; F57-I72 HydrophobicContact CD1-CG2 4.25Å; F57-I72 HydrophobicContact CE1-CG2 3.56Å; F57-I72 HydrophobicContact CZ-CG2 3.76Å; Y62-I72 HydrophobicContact CD2-CD1 4.39Å; Y62-I72 HydrophobicContact CD2-CG2 4.38Å; Y62-I72 HydrophobicContact CE2-CD1 4.39Å; Y62-I72 HydrophobicContact CE2-CG2 4.42Å; L65-I72 HydrophobicContact CB-CD1 3.6Å; L65-I72 HydrophobicContact CB-CG1 4.23Å; R66-I72 HydrophobicContact CB-CD1 4.38Å; V70-I72 HydrophobicContact CG2-CD1 4.45Å; V70-I72 HydrophobicContact CG2-CG1 4.06Å; V70-I72 PolarHBondContact O-N 3.16Å; I72-P94 HydrophobicContact CB-CB 3.96Å; I72-P94 HydrophobicContact CB-CG 4.29Å; I72-P94 HydrophobicContact CD1-CG 4.26Å; I72-P94 HydrophobicContact CG2-CB 4.19Å; I72-P94 CarbonylContact O-C 3.55Å; I72-P94 WeakPolarHBondContact O-CA 3.16Å; I72-L95 PolarHBondContact O-N 2.9Å
73Y94.7Very high91.1Very high4 Ų431.2 Ų31.22%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-123.8152.2-178.9-58.2-75.3000111.8C51 F52 V53 L54 V77 L88 P89 L95C51-Y73 HydrophobicContact CB-CD2 4.12Å; C51-Y73 HydrophobicContact CB-CE2 3.93Å; F52-Y73 PolarHBondContact O-N 3.4Å; V53-Y73 VanDerWaalsContact CA-O 3.28Å; V53-Y73 WeakPolarHBondContact CA-O 3.12Å; L54-Y73 PolarHBondContact N-O 2.69Å; Y73-V77 HydrophobicContact CD1-CB 4.41Å; Y73-V77 HydrophobicContact CD1-CG1 3.94Å; Y73-L88 HydrophobicContact CE2-CD1 4.37Å; Y73-P89 HydrophobicContact CE1-CG 4.43Å; Y73-P89 PolarHBondContact OH-O 3.03Å; Y73-L95 CarbonylContact C-O 3.58Å; Y73-L95 WeakPolarHBondContact CA-O 3.11Å; Y73-L95 HydrophobicContact CD1-CB 4.15Å
74G93.9Very high90.8Very high0 Ų031.1 Ų31.10%017%0.166CC..  trans-92.7162.2163.300000111.7Q76 V77 L95 F96G74-Q76 PolarHBondContact O-N 3.35Å; G74-V77 PolarHBondContact O-N 3.13Å; G74-V77 VanDerWaalsContact O-N 3.12Å; G74-L95 PolarHBondContact N-O 2.93Å; G74-F96 VanDerWaalsContact CA-O 3.25Å; G74-F96 WeakPolarHBondContact CA-O 3.33Å
75P92.8Very high90.4Very high5 Ų534.8 Ų34.83%0.03219%0.186CC..Hα-helixtrans-61.8-31.9-172.9-22.633.7000113.8L14 L15 A18 V53 L54 V77 I78 L79L14-P75 VanDerWaalsContact C-CB 3.49Å; L14-P75 HydrophobicContact CB-CB 3.93Å; L14-P75 HydrophobicContact CB-CG 4.45Å; L14-P75 WeakPolarHBondContact O-CB 3.45Å; L15-P75 HydrophobicContact CB-CG 3.98Å; L15-P75 HydrophobicContact CD1-CG 3.9Å; A18-P75 HydrophobicContact CB-CB 3.89Å; V53-P75 HydrophobicContact CG1-CG 4.36Å; L54-P75 WeakPolarHBondContact O-CD 3.49Å; P75-V77 VanDerWaalsContact C-N 3.3Å; P75-V77 PolarHBondContact O-N 2.9Å; P75-I78 WeakPolarHBondContact O-CB 3.29Å; P75-I78 PolarHBondContact O-N 3.4Å; P75-L79 WeakPolarHBondContact O-CG 3.34Å; P75-L79 PolarHBondContact O-N 3.36Å
76Q91.9Very high90Very high1 Ų140 Ų401%0.00521%0.209CC..Hα-helixtrans-53.9-43.4174.7-70.8-96.1-1.700112.5L14 G74 I78 L79 H80 S173 Q176L14-Q76 HydrophobicContact CD1-CG 4.35Å; G74-Q76 PolarHBondContact O-N 3.35Å; Q76-I78 VanDerWaalsContact C-N 3.34Å; Q76-I78 PolarHBondContact O-N 2.98Å; Q76-L79 PolarHBondContact O-N 3Å; Q76-H80 VanDerWaalsContact O-CB 3.31Å; Q76-H80 WeakPolarHBondContact O-CB 3.29Å; Q76-H80 PolarHBondContact O-N 2.92Å; Q76-S173 WeakPolarHBondContact CG-O 3.48Å; Q76-S173 PolarHBondContact NE2-O 3.27Å; Q76-Q176 VanDerWaalsContact NE2-C 3.27Å; Q76-Q176 PolarHBondContact NE2-O 3.36Å
77V93.3Very high89.7Confident0 Ų039.8 Ų39.80%022%0.223CC..Hα-helixtrans-63.9-44.3179.9-174.60000110.2Y73 G74 P75 H80 Y81 L88 L95Y73-V77 HydrophobicContact CD1-CB 4.41Å; Y73-V77 HydrophobicContact CD1-CG1 3.94Å; G74-V77 PolarHBondContact O-N 3.13Å; G74-V77 VanDerWaalsContact O-N 3.12Å; P75-V77 VanDerWaalsContact C-N 3.3Å; P75-V77 PolarHBondContact O-N 2.9Å; V77-H80 PolarHBondContact O-N 3.47Å; V77-Y81 HydrophobicContact CG1-CD2 3.71Å; V77-Y81 HydrophobicContact CG1-CE2 3.98Å; V77-Y81 WeakPolarHBondContact O-CB 3.36Å; V77-Y81 WeakPolarHBondContact O-CD2 3.48Å; V77-Y81 PolarHBondContact O-N 2.75Å; V77-L88 HydrophobicContact CG1-CD2 3.92Å; V77-L95 HydrophobicContact CB-CD2 4.49Å; V77-L95 HydrophobicContact CG1-CD2 3.79Å; V77-L95 HydrophobicContact CG2-CB 4.36Å; V77-L95 HydrophobicContact CG2-CD2 3.81Å; V77-L95 HydrophobicContact CG2-CG 3.73Å; V77-L95 VanDerWaalsContact CG2-O 3.29Å; V77-L95 WeakPolarHBondContact CG2-O 3.48Å
78I92.1Very high89.5Confident4 Ų437.1 Ų37.12%0.02120%0.202CC..Hα-helixtrans-61.4-49178.5-51.7-55.2000110.2A18 V22 V53 P75 Q76 H80 Y81 V82 L88A18-I78 HydrophobicContact CB-CB 4.03Å; A18-I78 HydrophobicContact CB-CG2 4.1Å; V22-I78 HydrophobicContact CG2-CG2 3.35Å; V53-I78 HydrophobicContact CG1-CG1 4.07Å; V53-I78 HydrophobicContact CG2-CD1 4.02Å; V53-I78 HydrophobicContact CG2-CG1 3.99Å; P75-I78 WeakPolarHBondContact O-CB 3.29Å; P75-I78 PolarHBondContact O-N 3.4Å; Q76-I78 VanDerWaalsContact C-N 3.34Å; Q76-I78 PolarHBondContact O-N 2.98Å; I78-H80 PolarHBondContact O-N 3.47Å; I78-Y81 PolarHBondContact O-N 3.09Å; I78-V82 HydrophobicContact CG2-CG2 4.45Å; I78-V82 WeakPolarHBondContact O-CB 3.24Å; I78-V82 VanDerWaalsContact O-CG2 3.25Å; I78-V82 WeakPolarHBondContact O-CG2 3.46Å; I78-V82 PolarHBondContact O-N 3.43Å; I78-L88 HydrophobicContact CD1-CD1 3.94Å; I78-L88 HydrophobicContact CD1-CD2 4.04Å
79L91.2Very high89.3Confident7 Ų736.9 Ų36.94%0.03720%0.202CC..Hα-helixtrans-61.1-43.4178.2-70.3167.2000112.4L14 A17 A18 A21 P75 Q76 R83 D177L14-L79 HydrophobicContact CB-CD1 4.5Å; L14-L79 HydrophobicContact CD2-CD1 4.19Å; A17-L79 HydrophobicContact CB-CD1 4.44Å; A17-L79 HydrophobicContact CB-CD2 4.18Å; A18-L79 HydrophobicContact CB-CD2 4.42Å; A18-L79 HydrophobicContact CB-CG 4.08Å; A21-L79 HydrophobicContact CB-CD2 4.4Å; P75-L79 WeakPolarHBondContact O-CG 3.34Å; P75-L79 PolarHBondContact O-N 3.36Å; Q76-L79 PolarHBondContact O-N 3Å; L79-R83 WeakPolarHBondContact O-CB 3.28Å; L79-R83 PolarHBondContact O-N 3.47Å; L79-D177 HydrophobicContact CD1-CB 4.22Å
80H91.3Very high89.1Confident31 Ų3141.4 Ų41.414%0.14422%0.215CC..Hα-helixtrans-64.6-50.3177.3-178.297000112.2Q76 V77 I78 V82 R83 E84 T98Q76-H80 VanDerWaalsContact O-CB 3.31Å; Q76-H80 WeakPolarHBondContact O-CB 3.29Å; Q76-H80 PolarHBondContact O-N 2.92Å; V77-H80 PolarHBondContact O-N 3.47Å; I78-H80 PolarHBondContact O-N 3.47Å; H80-V82 PolarHBondContact O-N 2.88Å; H80-R83 WeakPolarHBondContact O-CB 3.46Å; H80-R83 PolarHBondContact O-N 3.19Å; H80-E84 WeakPolarHBondContact O-CB 3.43Å; H80-E84 VanDerWaalsContact O-CG 3.31Å; H80-E84 WeakPolarHBondContact O-CG 3.44Å; H80-E84 PolarHBondContact O-N 2.82Å; H80-T98 HydrophobicContact CB-CG2 3.87Å; H80-T98 PolarHBondContact ND1-OG1 2.82Å
81Y91Very high88.9Confident32 Ų3242.2 Ų42.213%0.12522%0.219CC..Hα-helixtrans-71-30.7-176.3-85.5-99.1000113.1V77 I78 N85 K86 P87 L88 P89 T98 H126V77-Y81 HydrophobicContact CG1-CD2 3.71Å; V77-Y81 HydrophobicContact CG1-CE2 3.98Å; V77-Y81 WeakPolarHBondContact O-CB 3.36Å; V77-Y81 WeakPolarHBondContact O-CD2 3.48Å; V77-Y81 PolarHBondContact O-N 2.75Å; I78-Y81 PolarHBondContact O-N 3.09Å; Y81-N85 PolarHBondContact O-N 3.28Å; Y81-K86 HydrophobicContact CD1-CB 3.72Å; Y81-K86 HydrophobicContact CE1-CB 4.07Å; Y81-K86 PolarHBondContact O-N 2.72Å; Y81-P87 WeakPolarHBondContact CD1-O 3.29Å; Y81-P87 WeakPolarHBondContact CE1-O 3.21Å; Y81-L88 HydrophobicContact CD2-CD2 4.32Å; Y81-L88 HydrophobicContact CG-CD2 3.98Å; Y81-P89 HydrophobicContact CE1-CG 4.43Å; Y81-P89 HydrophobicContact CE2-CG 4.23Å; Y81-T98 HydrophobicContact CE2-CG2 4.4Å; Y81-H126 PolarHBondContact OH-CE1 3Å; Y81-H126 PolarHBondContact OH-NE2 3.21Å
82V87.4Confident88.6Confident31 Ų3147.1 Ų47.119%0.18825%0.25CC..Hα-helixtrans-66.9-44.7168.6169.50000111.1A21 Y25 I78 H80 E84 N85A21-V82 HydrophobicContact CB-CG1 4.41Å; Y25-V82 HydrophobicContact CE2-CG1 4.05Å; Y25-V82 HydrophobicContact CE2-CG2 4.39Å; I78-V82 HydrophobicContact CG2-CG2 4.45Å; I78-V82 WeakPolarHBondContact O-CB 3.24Å; I78-V82 VanDerWaalsContact O-CG2 3.25Å; I78-V82 WeakPolarHBondContact O-CG2 3.46Å; I78-V82 PolarHBondContact O-N 3.43Å; H80-V82 PolarHBondContact O-N 2.88Å; V82-E84 VanDerWaalsContact C-N 3.34Å; V82-E84 PolarHBondContact O-N 3.22Å; V82-N85 PolarHBondContact O-N 3.34Å
83R87.2Confident88.4Confident81 Ų8150.4 Ų50.431%0.30626%0.262SS..Hα-helixtrans-61.3-40.4177178.8-176.7-64.2129.43112.5L79 H80 N85 D177L79-R83 WeakPolarHBondContact O-CB 3.28Å; L79-R83 PolarHBondContact O-N 3.47Å; H80-R83 WeakPolarHBondContact O-CB 3.46Å; H80-R83 PolarHBondContact O-N 3.19Å; R83-N85 VanDerWaalsContact C-N 3.35Å; R83-D177 IonicContact CZ-OD1 2.78Å; R83-D177 IonicContact CZ-OD2 2.72Å; R83-D177 IonicContact NH1-OD1 2.62Å; R83-D177 PolarHBondContact NH1-OD1 2.84Å; R83-D177 IonicContact NH1-OD2 3.49Å; R83-D177 IonicContact NH2-OD1 2.71Å; R83-D177 PolarHBondContact NH2-OD1 2.91Å; R83-D177 IonicContact NH2-OD2 3.35Å; R83-D177 PolarHBondContact NH2-OD2 3.03Å
84E85.6Confident88.3Confident85 Ų8550.9 Ų50.940%0.39727%0.266SS..THydrogen-bonded Turntrans-82.8-7.9179.6-70.1-70.8114.600114H80 V82 K86H80-E84 WeakPolarHBondContact O-CB 3.43Å; H80-E84 VanDerWaalsContact O-CG 3.31Å; H80-E84 WeakPolarHBondContact O-CG 3.44Å; H80-E84 PolarHBondContact O-N 2.82Å; V82-E84 VanDerWaalsContact C-N 3.34Å; V82-E84 PolarHBondContact O-N 3.22Å; E84-K86 HydrophobicContact CB-CB 4.47Å; E84-K86 HydrophobicContact CB-CD 3.82Å; E84-K86 HydrophobicContact CB-CG 4.15Å; E84-K86 PolarHBondContact O-N 3.13Å; E84-K86 IonicContact OE2-NZ 2.65Å; E84-K86 PolarHBondContact OE2-NZ 3.46Å
85N84Confident88.4Confident117 Ų11750.9 Ų50.963%0.62627%0.266SS*.THydrogen-bonded Turntrans51.348.9-173.5-17048.3000113.1Y81 V82 R83Y81-N85 PolarHBondContact O-N 3.28Å; V82-N85 PolarHBondContact O-N 3.34Å; R83-N85 VanDerWaalsContact C-N 3.35Å
86K82.9Confident88.5Confident110 Ų11050.8 Ų50.848%0.47827%0.265SS..  trans-119.5148.8-177.8-73.3168.2-168.31620111.3Y81 E84Y81-K86 HydrophobicContact CD1-CB 3.72Å; Y81-K86 HydrophobicContact CE1-CB 4.07Å; Y81-K86 PolarHBondContact O-N 2.72Å; E84-K86 HydrophobicContact CB-CB 4.47Å; E84-K86 HydrophobicContact CB-CD 3.82Å; E84-K86 HydrophobicContact CB-CG 4.15Å; E84-K86 PolarHBondContact O-N 3.13Å; E84-K86 IonicContact OE2-NZ 2.65Å; E84-K86 PolarHBondContact OE2-NZ 3.46Å
87P83.2Confident88.6Confident114 Ų11450.7 Ų50.774%0.7427%0.265SS*.PPolyproline II helixtrans-66.9142.2173.229.3-34.8000110.9Y81Y81-P87 WeakPolarHBondContact CD1-O 3.29Å; Y81-P87 WeakPolarHBondContact CE1-O 3.21Å
88L85.8Confident88.6Confident36 Ų3651.1 Ų51.119%0.18827%0.267CS..PPolyproline II helixtrans-59.8141.6177.4-74.4172.1000111.4M1 Y73 V77 I78 Y81 N90M1-L88 HydrophobicContact CE-CB 3.86Å; M1-L88 HydrophobicContact CE-CD1 4.36Å; M1-L88 HydrophobicContact SD-CB 4.44Å; M1-L88 HydrophobicContact SD-CD1 4.18Å; Y73-L88 HydrophobicContact CE2-CD1 4.37Å; V77-L88 HydrophobicContact CG1-CD2 3.92Å; I78-L88 HydrophobicContact CD1-CD1 3.94Å; I78-L88 HydrophobicContact CD1-CD2 4.04Å; Y81-L88 HydrophobicContact CD2-CD2 4.32Å; Y81-L88 HydrophobicContact CG-CD2 3.98Å; L88-N90 PolarHBondContact O-N 3.32Å
89P85.4Confident88.7Confident23 Ų2350.9 Ų50.915%0.14927%0.266CS..PPolyproline II helixtrans-78.3126.6-173.732.7-33.7000110.2Y73 Y81 L91 L95Y73-P89 HydrophobicContact CE1-CG 4.43Å; Y73-P89 PolarHBondContact OH-O 3.03Å; Y81-P89 HydrophobicContact CE1-CG 4.43Å; Y81-P89 HydrophobicContact CE2-CG 4.23Å; P89-L91 HydrophobicContact CB-CD1 4.09Å; P89-L91 HydrophobicContact CB-CD2 4.4Å; P89-L91 HydrophobicContact CB-CG 3.98Å; P89-L91 HydrophobicContact CG-CD1 3.92Å; P89-L91 HydrophobicContact CG-CG 4.27Å; P89-L91 PolarHBondContact O-N 3.38Å; P89-L95 HydrophobicContact CG-CD2 3.87Å
90N84.3Confident89Confident139 Ų13950.6 Ų50.674%0.74326%0.264SS*.  trans-79100.3174.6-170.90.8000109.4L88L88-N90 PolarHBondContact O-N 3.32Å
91L85.4Confident89Confident38 Ų3852.3 Ų52.320%0.19928%0.275CS..  trans-119.6141.4-172.7-62.2174.3000111P89 Y93 L95P89-L91 HydrophobicContact CB-CD1 4.09Å; P89-L91 HydrophobicContact CB-CD2 4.4Å; P89-L91 HydrophobicContact CB-CG 3.98Å; P89-L91 HydrophobicContact CG-CD1 3.92Å; P89-L91 HydrophobicContact CG-CG 4.27Å; P89-L91 PolarHBondContact O-N 3.38Å; L91-Y93 HydrophobicContact CB-CD2 4.42Å; L91-Y93 HydrophobicContact CB-CE2 4.27Å; L91-Y93 HydrophobicContact CD1-CE2 3.83Å; L91-Y93 HydrophobicContact CG-CE2 4.47Å; L91-Y93 PolarHBondContact O-N 3.3Å; L91-Y93 VanDerWaalsContact O-N 3.12Å; L91-L95 HydrophobicContact CD1-CB 4.2Å; L91-L95 HydrophobicContact CD1-CD1 4.28Å; L91-L95 HydrophobicContact CD1-CD2 3.84Å; L91-L95 HydrophobicContact CD1-CG 4.33Å
92P84.3Confident89Confident129 Ų12955.2 Ų55.284%0.83829%0.292SS*.SBendtrans-78.313177.833.7-35.4000113.4
93Y88.9Confident89.4Confident71 Ų7153.8 Ų53.828%0.27828%0.284SS..SBendtrans-143.3152.2-179.551.2-99.1000110.7L91 Q123L91-Y93 HydrophobicContact CB-CD2 4.42Å; L91-Y93 HydrophobicContact CB-CE2 4.27Å; L91-Y93 HydrophobicContact CD1-CE2 3.83Å; L91-Y93 HydrophobicContact CG-CE2 4.47Å; L91-Y93 PolarHBondContact O-N 3.3Å; L91-Y93 VanDerWaalsContact O-N 3.12Å; Y93-Q123 HydrophobicContact CD2-CB 4.26Å; Y93-Q123 HydrophobicContact CE2-CB 3.85Å; Y93-Q123 WeakPolarHBondContact CE2-O 3.38Å
94P92.9Very high89.9Confident14 Ų1451.7 Ų51.79%0.09128%0.28CS..  trans-60.5143.2175.4-24.336000112.3F57 Y62 I72 M124F57-P94 HydrophobicContact CD2-CB 3.96Å; F57-P94 HydrophobicContact CE2-CB 3.43Å; F57-P94 VanDerWaalsContact CE2-CB 3.43Å; F57-P94 HydrophobicContact CZ-CB 3.95Å; Y62-P94 HydrophobicContact CE2-CB 4.11Å; Y62-P94 HydrophobicContact CE2-CG 4.02Å; I72-P94 HydrophobicContact CB-CB 3.96Å; I72-P94 HydrophobicContact CB-CG 4.29Å; I72-P94 HydrophobicContact CD1-CG 4.26Å; I72-P94 HydrophobicContact CG2-CB 4.19Å; I72-P94 CarbonylContact O-C 3.55Å; I72-P94 WeakPolarHBondContact O-CA 3.16Å; P94-M124 HydrophobicContact CB-CE 4.34Å; P94-M124 WeakPolarHBondContact O-CG 3.43Å
95L94.8Very high90.4Very high0 Ų047.6 Ų47.60%026%0.261CS..BIsolated β-bridgetrans-124.5109.7179.9-175.170.6000111.3I72 Y73 G74 V77 P89 L91 Q123 H126I72-L95 PolarHBondContact O-N 2.9Å; Y73-L95 CarbonylContact C-O 3.58Å; Y73-L95 WeakPolarHBondContact CA-O 3.11Å; Y73-L95 HydrophobicContact CD1-CB 4.15Å; G74-L95 PolarHBondContact N-O 2.93Å; V77-L95 HydrophobicContact CB-CD2 4.49Å; V77-L95 HydrophobicContact CG1-CD2 3.79Å; V77-L95 HydrophobicContact CG2-CB 4.36Å; V77-L95 HydrophobicContact CG2-CD2 3.81Å; V77-L95 HydrophobicContact CG2-CG 3.73Å; V77-L95 VanDerWaalsContact CG2-O 3.29Å; V77-L95 WeakPolarHBondContact CG2-O 3.48Å; P89-L95 HydrophobicContact CG-CD2 3.87Å; L91-L95 HydrophobicContact CD1-CB 4.2Å; L91-L95 HydrophobicContact CD1-CD1 4.28Å; L91-L95 HydrophobicContact CD1-CD2 3.84Å; L91-L95 HydrophobicContact CD1-CG 4.33Å; L95-Q123 WeakPolarHBondContact CD1-O 3.31Å; L95-H126 HydrophobicContact CD1-CB 3.78Å; L95-H126 VanDerWaalsContact CD2-CD2 3.42Å; L95-H126 WeakPolarHBondContact CD2-CD2 3.14Å
96F94.7Very high90.9Very high3 Ų342 Ų421%0.01323%0.231CC..  trans-83.6-42.1-172.1-171.1-118.9000113.5A55 F57 G74 M124 L125 W170 E174A55-F96 WeakPolarHBondContact O-CE2 3.35Å; F57-F96 AromaticContact CD1-CD2 3.83Å; F57-F96 HydrophobicContact CD1-CD2 3.83Å; F57-F96 HydrophobicContact CD1-CE2 4.41Å; F57-F96 HydrophobicContact CD2-CB 3.85Å; F57-F96 HydrophobicContact CD2-CD2 4.03Å; F57-F96 HydrophobicContact CD2-CG 4.32Å; F57-F96 AromaticContact CE1-CD2 3.88Å; F57-F96 HydrophobicContact CE1-CD2 3.88Å; F57-F96 HydrophobicContact CE2-CB 3.57Å; F57-F96 HydrophobicContact CE2-CD2 4.12Å; F57-F96 HydrophobicContact CE2-CG 4.33Å; F57-F96 AromaticContact CG-CD2 3.9Å; F57-F96 HydrophobicContact CG-CD2 3.9Å; F57-F96 HydrophobicContact CZ-CB 4.04Å; F57-F96 HydrophobicContact CZ-CD2 4.04Å; G74-F96 VanDerWaalsContact CA-O 3.25Å; G74-F96 WeakPolarHBondContact CA-O 3.33Å; F96-M124 WeakPolarHBondContact CB-O 3.41Å; F96-M124 PolarHBondContact N-O 3.31Å; F96-L125 HydrophobicContact CD1-CD2 4.13Å; F96-W170 HydrophobicContact CB-CE3 4.45Å; F96-W170 HydrophobicContact CB-CH2 3.79Å; F96-W170 HydrophobicContact CB-CZ3 3.6Å; F96-W170 HydrophobicContact CD1-CD2 4.43Å; F96-W170 AromaticContact CD1-CE3 3.39Å; F96-W170 HydrophobicContact CD1-CE3 3.39Å; F96-W170 HydrophobicContact CD1-CH2 4.27Å; F96-W170 AromaticContact CD1-CZ3 3.3Å; F96-W170 HydrophobicContact CD1-CZ3 3.3Å; F96-W170 AromaticContact CD2-CZ3 3.96Å; F96-W170 HydrophobicContact CD2-CZ3 3.96Å; F96-W170 AromaticContact CE1-CE3 3.7Å; F96-W170 HydrophobicContact CE1-CE3 3.7Å; F96-W170 AromaticContact CE1-CZ3 3.9Å; F96-W170 HydrophobicContact CE1-CZ3 3.9Å; F96-W170 HydrophobicContact CE2-CZ3 4.5Å; F96-W170 AromaticContact CG-CE3 3.96Å; F96-W170 HydrophobicContact CG-CE3 3.96Å; F96-W170 HydrophobicContact CG-CH2 4.06Å; F96-W170 AromaticContact CG-CZ3 3.33Å; F96-W170 HydrophobicContact CG-CZ3 3.33Å; F96-W170 HydrophobicContact CZ-CZ3 4.47Å; F96-E174 HydrophobicContact CE1-CG 4.2Å; F96-E174 HydrophobicContact CZ-CG 3.87Å
97S94.2Very high91.4Very high0 Ų036.9 Ų36.90%021%0.208CC..  trans-157.9159.6-167.9179.70000110.9A99 L125 H126 S173S97-A99 PolarHBondContact OG-N 3.11Å; S97-L125 CarbonylContact O-C 3.59Å; S97-L125 WeakPolarHBondContact O-CA 3.37Å; S97-L125 VanDerWaalsContact O-O 3.13Å; S97-H126 WeakPolarHBondContact O-CB 3.43Å; S97-H126 PolarHBondContact O-N 3Å; S97-S173 WeakPolarHBondContact CB-OG 3.31Å; S97-S173 WeakPolarHBondContact OG-CB 3.18Å; S97-S173 PolarHBondContact OG-OG 2.83Å
98T93.8Very high91.8Very high8 Ų832.1 Ų32.15%0.04918%0.177CC..SBendtrans-94.110173.258.80000113.3H80 Y81 L100 L101H80-T98 HydrophobicContact CB-CG2 3.87Å; H80-T98 PolarHBondContact ND1-OG1 2.82Å; Y81-T98 HydrophobicContact CE2-CG2 4.4Å; T98-L100 PolarHBondContact O-N 2.91Å; T98-L101 VanDerWaalsContact O-CB 3.25Å; T98-L101 WeakPolarHBondContact O-CB 3.3Å; T98-L101 PolarHBondContact O-N 2.85Å
99A95.1Very high91.8Very high0 Ų032.9 Ų32.90%019%0.186CC..THydrogen-bonded Turntrans-53.5-26.4-173.700000115.5S97 I179 M181S97-A99 PolarHBondContact OG-N 3.11Å; A99-I179 HydrophobicContact CB-CD1 4.42Å; A99-I179 HydrophobicContact CB-CG1 4.15Å; A99-I179 HydrophobicContact CB-CG2 3.81Å; A99-M181 HydrophobicContact CB-CG 4.12Å; A99-M181 WeakPolarHBondContact O-CB 3.25Å; A99-M181 PolarHBondContact O-N 3.18Å
100L96.3Very high91.6Very high0 Ų032.2 Ų32.20%018%0.181CC..THydrogen-bonded Turntrans-112.816.1178.3-52-169.4000113.6T98 N102 A103 I122 L125 G127 W165 A169 M181T98-L100 PolarHBondContact O-N 2.91Å; L100-N102 PolarHBondContact O-N 3.43Å; L100-A103 HydrophobicContact CB-CB 4.15Å; L100-A103 WeakPolarHBondContact O-CB 3.4Å; L100-A103 PolarHBondContact O-N 3.2Å; L100-I122 HydrophobicContact CD1-CB 4.32Å; L100-I122 HydrophobicContact CD1-CG1 4.14Å; L100-I122 HydrophobicContact CD1-CG2 4.15Å; L100-L125 WeakPolarHBondContact CA-O 3.44Å; L100-L125 HydrophobicContact CB-CB 4.19Å; L100-L125 WeakPolarHBondContact CB-O 3.46Å; L100-L125 HydrophobicContact CD1-CB 3.88Å; L100-L125 HydrophobicContact CD1-CD1 3.95Å; L100-L125 HydrophobicContact CG-CB 3.68Å; L100-L125 HydrophobicContact CG-CD1 4.15Å; L100-L125 PolarHBondContact N-O 3.49Å; L100-G127 WeakPolarHBondContact O-CA 3.4Å; L100-W165 HydrophobicContact CD1-CH2 3.98Å; L100-W165 HydrophobicContact CD1-CZ3 4.02Å; L100-W165 HydrophobicContact CD2-CH2 3.57Å; L100-W165 HydrophobicContact CD2-CZ2 3.53Å; L100-W165 HydrophobicContact CD2-CZ3 4.18Å; L100-W165 HydrophobicContact CG-CH2 4.28Å; L100-A169 HydrophobicContact CD2-CB 3.96Å; L100-M181 HydrophobicContact CD2-CB 3.62Å; L100-M181 HydrophobicContact CD2-CG 4.01Å
101L92Very high91.3Very high68 Ų6827.1 Ų27.136%0.35616%0.155SC..THydrogen-bonded Turntrans-46.3-40.1-176.2166.763.4000114.2T98 H126T98-L101 VanDerWaalsContact O-CB 3.25Å; T98-L101 WeakPolarHBondContact O-CB 3.3Å; T98-L101 PolarHBondContact O-N 2.85Å; L101-H126 WeakPolarHBondContact CD1-ND1 3.31Å
102N92Very high90.8Very high93 Ų9326.8 Ų26.850%0.49716%0.161SC..THydrogen-bonded Turntrans-90.62-178.1-65.2-39.8000114L100 N138 D180 M182L100-N102 PolarHBondContact O-N 3.43Å; N102-N138 PolarHBondContact O-ND2 2.67Å; N102-D180 PolarHBondContact ND2-OD2 3.35Å; N102-M182 HydrophobicContact CB-CG 4.12Å
103A95.8Very high90.7Very high1 Ų123.5 Ų23.51%0.00815%0.145CC..  trans-93.3125-179.300000111.7L100 S128 V139 W165 M182L100-A103 HydrophobicContact CB-CB 4.15Å; L100-A103 WeakPolarHBondContact O-CB 3.4Å; L100-A103 PolarHBondContact O-N 3.2Å; A103-S128 PolarHBondContact O-N 3.43Å; A103-V139 HydrophobicContact CB-CG2 4.25Å; A103-W165 HydrophobicContact CB-CH2 3.85Å; A103-W165 HydrophobicContact CB-CZ2 4.45Å; A103-M182 HydrophobicContact CB-CG 4.38Å; A103-M182 HydrophobicContact CB-SD 3.73Å
104T95.9Very high90.6Very high36 Ų3624.6 Ų24.622%0.22115%0.152CC..EExtended strand (participates in β ladder)trans-112.1103.8163.4-62.10000107.6S128 N136 V137 N138 V139T104-S128 WeakPolarHBondContact CA-O 3.38Å; T104-N136 VanDerWaalsContact CB-O 3.3Å; T104-N136 WeakPolarHBondContact CB-O 3.41Å; T104-N136 WeakPolarHBondContact CG2-O 3.25Å; T104-V137 HydrophobicContact CG2-CG2 4.32Å; T104-V137 WeakPolarHBondContact O-CA 3.25Å; T104-N138 PolarHBondContact N-OD1 2.99Å; T104-N138 PolarHBondContact O-N 3.48Å; T104-N138 PolarHBondContact O-OD1 2.65Å; T104-V139 PolarHBondContact O-N 3.2Å
105A96Very high90.5Very high0 Ų027.6 Ų27.60%016%0.162CC..EExtended strand (participates in β ladder)trans-110.9141.2-165.400000113.1I122 S128 V129 S130 V139A105-I122 HydrophobicContact CB-CD1 3.99Å; A105-I122 HydrophobicContact CB-CG2 4.43Å; A105-S128 PolarHBondContact N-O 3.41Å; A105-V129 WeakPolarHBondContact O-CA 3.49Å; A105-S130 PolarHBondContact O-N 2.89Å; A105-V139 VanDerWaalsContact CA-O 3.31Å; A105-V139 WeakPolarHBondContact CA-O 3.38Å; A105-V139 HydrophobicContact CB-CB 4.02Å; A105-V139 HydrophobicContact CB-CG1 4.18Å
106T94.8Very high90.3Very high0 Ų033.8 Ų33.80%019%0.189CC..EExtended strand (participates in β ladder)trans-116.3154162.2-159.80000110.8S130 L133 V137 V139 I140 V141 K149T106-S130 WeakPolarHBondContact CA-O 3.44Å; T106-S130 VanDerWaalsContact CB-O 3.31Å; T106-S130 WeakPolarHBondContact CB-O 3.3Å; T106-S130 PolarHBondContact OG1-O 3.46Å; T106-L133 HydrophobicContact CG2-CD1 4.18Å; T106-V137 HydrophobicContact CG2-CG1 3.96Å; T106-V139 PolarHBondContact N-O 3.11Å; T106-I140 HydrophobicContact CG2-CD1 4.41Å; T106-I140 HydrophobicContact CG2-CG1 4.06Å; T106-I140 HydrophobicContact CG2-CG2 4.34Å; T106-I140 WeakPolarHBondContact O-CA 3.47Å; T106-V141 PolarHBondContact O-N 2.84Å; T106-K149 HydrophobicContact CG2-CD 4.23Å; T106-K149 PolarHBondContact OG1-NZ 2.96Å
107V94Very high90.2Very high1 Ų139.9 Ų39.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-108.9138.8178.4176.10000109.5V110 R115 I118 F119 V141V107-V110 HydrophobicContact CG1-CB 3.71Å; V107-V110 HydrophobicContact CG1-CG1 4.32Å; V107-V110 HydrophobicContact CG1-CG2 4.16Å; V107-R115 HydrophobicContact CB-CG 4.03Å; V107-R115 HydrophobicContact CG1-CB 4.48Å; V107-R115 HydrophobicContact CG1-CG 3.96Å; V107-I118 HydrophobicContact CG2-CB 4.3Å; V107-I118 HydrophobicContact CG2-CG2 3.41Å; V107-I118 VanDerWaalsContact CG2-CG2 3.41Å; V107-F119 HydrophobicContact CB-CE1 3.91Å; V107-F119 HydrophobicContact CB-CZ 4.27Å; V107-F119 HydrophobicContact CG2-CD1 3.81Å; V107-F119 HydrophobicContact CG2-CE1 3.5Å; V107-F119 VanDerWaalsContact CG2-CE1 3.5Å; V107-F119 HydrophobicContact CG2-CZ 4.31Å; V107-V141 WeakPolarHBondContact CA-O 3.45Å; V107-V141 HydrophobicContact CG2-CB 4.28Å
108T92.7Very high90.2Very high14 Ų1440.5 Ų40.59%0.08622%0.22CC..  trans-135.6165.4171.8-166.10000111.2V110 I140 V141 T142 S147 K149T108-V110 PolarHBondContact O-N 3.24Å; T108-I140 HydrophobicContact CG2-CG2 3.71Å; T108-V141 PolarHBondContact N-O 3.38Å; T108-V141 VanDerWaalsContact N-O 3.08Å; T108-T142 HydrophobicContact CG2-CG2 4.16Å; T108-T142 PolarHBondContact O-OG1 3.42Å; T108-S147 VanDerWaalsContact CG2-OG 3.25Å; T108-S147 WeakPolarHBondContact CG2-OG 3.25Å; T108-S147 WeakPolarHBondContact OG1-CB 3.49Å; T108-S147 PolarHBondContact OG1-OG 3.13Å; T108-K149 HydrophobicContact CG2-CB 4.29Å
109S84.1Confident90.2Very high53 Ų5341.3 Ų41.337%0.37122%0.223SC..SBendtrans54.118.2-177.6-470000116.2T142 K144S109-T142 WeakPolarHBondContact CB-OG1 3.43Å; S109-T142 PolarHBondContact OG-OG1 3.01Å; S109-K144 PolarHBondContact OG-O 3.42Å
110V81.4Confident90.1Very high8 Ų843.4 Ų43.45%0.04823%0.234CC..  trans-127.6143.2-178.3174.20000111V107 T108 Q114 R115 I118V107-V110 HydrophobicContact CG1-CB 3.71Å; V107-V110 HydrophobicContact CG1-CG1 4.32Å; V107-V110 HydrophobicContact CG1-CG2 4.16Å; T108-V110 PolarHBondContact O-N 3.24Å; V110-Q114 HydrophobicContact CG1-CB 3.64Å; V110-Q114 HydrophobicContact CG1-CG 3.61Å; V110-R115 HydrophobicContact CG1-CB 4.33Å; V110-R115 PolarHBondContact O-NE 3.4Å; V110-R115 VanDerWaalsContact O-NE 3.11Å; V110-R115 PolarHBondContact O-NH2 2.82Å; V110-I118 HydrophobicContact CG1-CD1 4.12Å
111T78.5Confident90.1Very high32 Ų3244.4 Ų44.420%0.19624%0.242CC..  trans-87.5166.1-167.463.50000113.4A113 Q114 R115 N455 F458T111-A113 PolarHBondContact O-N 3.07Å; T111-Q114 PolarHBondContact O-N 3.33Å; T111-R115 WeakPolarHBondContact O-CB 3.43Å; T111-R115 PolarHBondContact O-N 3.47Å; T111-N455 WeakPolarHBondContact CA-OD1 3.38Å; T111-N455 VanDerWaalsContact CB-OD1 3.24Å; T111-N455 WeakPolarHBondContact CB-OD1 3.25Å; T111-F458 WeakPolarHBondContact CB-O 3.34Å; T111-F458 HydrophobicContact CG2-CB 3.58Å; T111-F458 WeakPolarHBondContact CG2-O 3.35Å; T111-F458 PolarHBondContact OG1-O 3.1Å
112G75Confident90.3Very high31 Ų3141.2 Ų41.232%0.3223%0.225SC..Hα-helixtrans-51.6-50.3-163.200000115.7K116 N455G112-K116 PolarHBondContact O-N 2.61Å; G112-N455 PolarHBondContact N-OD1 3.43Å
113A81.2Confident90.5Very high60 Ų6039.4 Ų39.450%0.49621%0.213SC..Hα-helixtrans-68.2-47.4-179.200000112.3T111 R115 K116 Q117 T459T111-A113 PolarHBondContact O-N 3.07Å; A113-R115 VanDerWaalsContact C-N 3.33Å; A113-R115 PolarHBondContact O-N 2.85Å; A113-K116 PolarHBondContact O-N 2.96Å; A113-Q117 PolarHBondContact O-N 2.94Å; A113-T459 HydrophobicContact CB-CG2 3.82Å
114Q86.8Confident90.4Very high94 Ų9440.2 Ų40.244%0.43922%0.217SC..Hα-helixtrans-67.1-34.5178.9-170.8-177.71100111.6V110 T111 Q117 I118V110-Q114 HydrophobicContact CG1-CB 3.64Å; V110-Q114 HydrophobicContact CG1-CG 3.61Å; T111-Q114 PolarHBondContact O-N 3.33Å; Q114-Q117 PolarHBondContact O-N 2.82Å; Q114-I118 HydrophobicContact CG-CD1 4.25Å; Q114-I118 WeakPolarHBondContact O-CB 3.28Å; Q114-I118 VanDerWaalsContact O-CG1 3.3Å; Q114-I118 WeakPolarHBondContact O-CG1 3.21Å; Q114-I118 PolarHBondContact O-N 3.11Å
115R91.3Very high90.5Very high77 Ų7738.5 Ų38.529%0.29121%0.207SC..Hα-helixtrans-64.6-41.8173.4-173.6-175.1-55.5-172.52.9111.2V107 V110 T111 A113 I118 F119V107-R115 HydrophobicContact CB-CG 4.03Å; V107-R115 HydrophobicContact CG1-CB 4.48Å; V107-R115 HydrophobicContact CG1-CG 3.96Å; V110-R115 HydrophobicContact CG1-CB 4.33Å; V110-R115 PolarHBondContact O-NE 3.4Å; V110-R115 VanDerWaalsContact O-NE 3.11Å; V110-R115 PolarHBondContact O-NH2 2.82Å; T111-R115 WeakPolarHBondContact O-CB 3.43Å; T111-R115 PolarHBondContact O-N 3.47Å; A113-R115 VanDerWaalsContact C-N 3.33Å; A113-R115 PolarHBondContact O-N 2.85Å; R115-I118 PolarHBondContact O-N 2.92Å; R115-F119 HydrophobicContact CG-CD2 4.19Å; R115-F119 HydrophobicContact CG-CE2 3.88Å; R115-F119 HydrophobicContact CG-CZ 4.16Å; R115-F119 WeakPolarHBondContact O-CG 3.42Å; R115-F119 PolarHBondContact O-N 3.01Å
116K91Very high90.4Very high130 Ų13039.9 Ų39.957%0.56521%0.213SC*.Hα-helixtrans-61.7-51.2171.9-172.7-173175.8-164.80110.5G112 A113 I118 F119 D120G112-K116 PolarHBondContact O-N 2.61Å; A113-K116 PolarHBondContact O-N 2.96Å; K116-I118 PolarHBondContact O-N 3.05Å; K116-F119 PolarHBondContact O-N 2.92Å; K116-D120 WeakPolarHBondContact CE-OD1 3.47Å; K116-D120 VanDerWaalsContact CE-OD2 3.25Å; K116-D120 WeakPolarHBondContact CE-OD2 3.34Å; K116-D120 WeakPolarHBondContact CG-OD1 3.39Å; K116-D120 IonicContact NZ-OD2 3.09Å; K116-D120 WeakPolarHBondContact O-CB 3.25Å; K116-D120 VanDerWaalsContact O-CG 3.3Å; K116-D120 PolarHBondContact O-N 2.82Å
117Q91.5Very high90.4Very high131 Ų13140 Ų4061%0.61221%0.214SC*.Hα-helixtrans-54.4-41178.4-175.5-175.94.700112.5A113 Q114 S121A113-Q117 PolarHBondContact O-N 2.94Å; Q114-Q117 PolarHBondContact O-N 2.82Å; Q117-S121 VanDerWaalsContact O-CB 3.28Å; Q117-S121 WeakPolarHBondContact O-CB 3.46Å; Q117-S121 PolarHBondContact O-N 3.16Å; Q117-S121 PolarHBondContact O-OG 3.5Å
118I94.3Very high90.4Very high13 Ų1343.1 Ų43.17%0.06724%0.236CC..Hα-helixtrans-67.4-45.9175.2-73171.2000111.6V107 V110 Q114 R115 K116 S121 I122 I166V107-I118 HydrophobicContact CG2-CB 4.3Å; V107-I118 HydrophobicContact CG2-CG2 3.41Å; V107-I118 VanDerWaalsContact CG2-CG2 3.41Å; V110-I118 HydrophobicContact CG1-CD1 4.12Å; Q114-I118 HydrophobicContact CG-CD1 4.25Å; Q114-I118 WeakPolarHBondContact O-CB 3.28Å; Q114-I118 VanDerWaalsContact O-CG1 3.3Å; Q114-I118 WeakPolarHBondContact O-CG1 3.21Å; Q114-I118 PolarHBondContact O-N 3.11Å; R115-I118 PolarHBondContact O-N 2.92Å; K116-I118 PolarHBondContact O-N 3.05Å; I118-S121 WeakPolarHBondContact O-CB 3.4Å; I118-S121 PolarHBondContact O-N 3.11Å; I118-I122 HydrophobicContact CG2-CD1 3.67Å; I118-I122 HydrophobicContact CG2-CG1 4.46Å; I118-I122 WeakPolarHBondContact O-CD1 3.48Å; I118-I122 VanDerWaalsContact O-CG1 3.26Å; I118-I122 WeakPolarHBondContact O-CG1 3.36Å; I118-I122 PolarHBondContact O-N 3.3Å; I118-I166 HydrophobicContact CG2-CD1 3.57Å
119F94.9Very high90.4Very high25 Ų2544.6 Ų44.611%0.1125%0.245CC..Hα-helixtrans-63.1-48.4177-74.5-23.2000112.2V107 R115 K116 S121 I122 Q123 V129 S130 R131V107-F119 HydrophobicContact CB-CE1 3.91Å; V107-F119 HydrophobicContact CB-CZ 4.27Å; V107-F119 HydrophobicContact CG2-CD1 3.81Å; V107-F119 HydrophobicContact CG2-CE1 3.5Å; V107-F119 VanDerWaalsContact CG2-CE1 3.5Å; V107-F119 HydrophobicContact CG2-CZ 4.31Å; R115-F119 HydrophobicContact CG-CD2 4.19Å; R115-F119 HydrophobicContact CG-CE2 3.88Å; R115-F119 HydrophobicContact CG-CZ 4.16Å; R115-F119 WeakPolarHBondContact O-CG 3.42Å; R115-F119 PolarHBondContact O-N 3.01Å; K116-F119 PolarHBondContact O-N 2.92Å; F119-S121 VanDerWaalsContact C-N 3.26Å; F119-S121 PolarHBondContact O-N 2.9Å; F119-I122 PolarHBondContact O-N 2.82Å; F119-I122 VanDerWaalsContact O-N 3.14Å; F119-Q123 WeakPolarHBondContact O-CG 3.34Å; F119-Q123 PolarHBondContact O-N 3.01Å; F119-V129 HydrophobicContact CB-CB 4.43Å; F119-V129 HydrophobicContact CB-CG1 4.16Å; F119-V129 HydrophobicContact CB-CG2 4.48Å; F119-V129 HydrophobicContact CD1-CB 3.85Å; F119-V129 HydrophobicContact CD1-CG1 3.8Å; F119-V129 HydrophobicContact CE1-CB 4.29Å; F119-V129 HydrophobicContact CG-CB 4.22Å; F119-V129 HydrophobicContact CG-CG1 4.27Å; F119-S130 WeakPolarHBondContact CZ-O 3.29Å; F119-R131 HydrophobicContact CE2-CG 4.25Å
120D93.7Very high90.8Very high44 Ų4443 Ų4324%0.23523%0.234CC..Hα-helixtrans-53.3-47173.7-66.78.5000109.5K116 I122 Q123 M124K116-D120 WeakPolarHBondContact CE-OD1 3.47Å; K116-D120 VanDerWaalsContact CE-OD2 3.25Å; K116-D120 WeakPolarHBondContact CE-OD2 3.34Å; K116-D120 WeakPolarHBondContact CG-OD1 3.39Å; K116-D120 IonicContact NZ-OD2 3.09Å; K116-D120 WeakPolarHBondContact O-CB 3.25Å; K116-D120 VanDerWaalsContact O-CG 3.3Å; K116-D120 PolarHBondContact O-N 2.82Å; D120-I122 PolarHBondContact O-N 2.84Å; D120-Q123 PolarHBondContact O-N 2.92Å; D120-M124 HydrophobicContact CB-SD 4.5Å; D120-M124 WeakPolarHBondContact O-CB 3.46Å; D120-M124 WeakPolarHBondContact O-CG 3.2Å; D120-M124 PolarHBondContact O-N 2.99Å
121S95.8Very high91.2Very high22 Ų2252.2 Ų52.215%0.15427%0.268CS..Hα-helixtrans-61-40.8177.6-63.40000113.9Q117 I118 F119 M124 L125Q117-S121 VanDerWaalsContact O-CB 3.28Å; Q117-S121 WeakPolarHBondContact O-CB 3.46Å; Q117-S121 PolarHBondContact O-N 3.16Å; Q117-S121 PolarHBondContact O-OG 3.5Å; I118-S121 WeakPolarHBondContact O-CB 3.4Å; I118-S121 PolarHBondContact O-N 3.11Å; F119-S121 VanDerWaalsContact C-N 3.26Å; F119-S121 PolarHBondContact O-N 2.9Å; S121-M124 PolarHBondContact O-N 3.21Å; S121-L125 WeakPolarHBondContact O-CG 3.47Å; S121-L125 PolarHBondContact O-N 3.22Å; S121-L125 VanDerWaalsContact O-N 3.14Å
122I96.2Very high91.6Very high0 Ų055.5 Ų55.50%028%0.284CS..Hα-helixtrans-66.7-44.6-179.9-68.5158.4000110.1L100 A105 I118 F119 D120 M124 L125 H126 G127 V129 I166L100-I122 HydrophobicContact CD1-CB 4.32Å; L100-I122 HydrophobicContact CD1-CG1 4.14Å; L100-I122 HydrophobicContact CD1-CG2 4.15Å; A105-I122 HydrophobicContact CB-CD1 3.99Å; A105-I122 HydrophobicContact CB-CG2 4.43Å; I118-I122 HydrophobicContact CG2-CD1 3.67Å; I118-I122 HydrophobicContact CG2-CG1 4.46Å; I118-I122 WeakPolarHBondContact O-CD1 3.48Å; I118-I122 VanDerWaalsContact O-CG1 3.26Å; I118-I122 WeakPolarHBondContact O-CG1 3.36Å; I118-I122 PolarHBondContact O-N 3.3Å; F119-I122 PolarHBondContact O-N 2.82Å; F119-I122 VanDerWaalsContact O-N 3.14Å; D120-I122 PolarHBondContact O-N 2.84Å; I122-M124 VanDerWaalsContact C-N 3.34Å; I122-M124 PolarHBondContact O-N 3.21Å; I122-L125 CarbonylContact O-C 3.6Å; I122-L125 PolarHBondContact O-N 3.26Å; I122-L125 VanDerWaalsContact O-N 3.09Å; I122-H126 PolarHBondContact O-N 3.03Å; I122-G127 WeakPolarHBondContact O-CA 3.23Å; I122-G127 PolarHBondContact O-N 2.76Å; I122-V129 HydrophobicContact CB-CG1 3.62Å; I122-V129 HydrophobicContact CD1-CG1 4.2Å; I122-V129 HydrophobicContact CG2-CG1 3.52Å; I122-I166 HydrophobicContact CD1-CD1 3.91Å; I122-I166 HydrophobicContact CG1-CD1 3.81Å; I122-I166 HydrophobicContact CG1-CG1 4.49Å
123Q95.2Very high92.3Very high55 Ų5555.9 Ų55.926%0.25728%0.279SS..Hα-helixtrans-62.6-40.8176.3-65.8-174.4-82.300111.9Y93 L95 F119 D120 L125 H126 G127 V129Y93-Q123 HydrophobicContact CD2-CB 4.26Å; Y93-Q123 HydrophobicContact CE2-CB 3.85Å; Y93-Q123 WeakPolarHBondContact CE2-O 3.38Å; L95-Q123 WeakPolarHBondContact CD1-O 3.31Å; F119-Q123 WeakPolarHBondContact O-CG 3.34Å; F119-Q123 PolarHBondContact O-N 3.01Å; D120-Q123 PolarHBondContact O-N 2.92Å; Q123-L125 PolarHBondContact O-N 3.12Å; Q123-H126 PolarHBondContact O-N 3.39Å; Q123-G127 WeakPolarHBondContact CA-O 3.44Å; Q123-V129 HydrophobicContact CG-CB 4.49Å; Q123-V129 HydrophobicContact CG-CG1 4Å; Q123-V129 HydrophobicContact CG-CG2 3.66Å
124M95.1Very high92.7Very high19 Ų1956.1 Ų56.19%0.09427%0.274CS..Hα-helixtrans-67.9-14.6176.1-66.1168.378.600113.2F57 Y62 P94 F96 D120 S121 I122 W170F57-M124 HydrophobicContact CD2-CE 3.72Å; F57-M124 HydrophobicContact CE2-CE 4.37Å; Y62-M124 WeakPolarHBondContact OH-CE 3.25Å; P94-M124 HydrophobicContact CB-CE 4.34Å; P94-M124 WeakPolarHBondContact O-CG 3.43Å; F96-M124 WeakPolarHBondContact CB-O 3.41Å; F96-M124 PolarHBondContact N-O 3.31Å; D120-M124 HydrophobicContact CB-SD 4.5Å; D120-M124 WeakPolarHBondContact O-CB 3.46Å; D120-M124 WeakPolarHBondContact O-CG 3.2Å; D120-M124 PolarHBondContact O-N 2.99Å; S121-M124 PolarHBondContact O-N 3.21Å; I122-M124 VanDerWaalsContact C-N 3.34Å; I122-M124 PolarHBondContact O-N 3.21Å; M124-W170 HydrophobicContact CB-CH2 4.04Å; M124-W170 HydrophobicContact CB-CZ2 3.84Å; M124-W170 HydrophobicContact CE-CH2 4.07Å; M124-W170 HydrophobicContact CE-CZ2 4.42Å
125L96.3Very high92.8Very high0 Ų057.6 Ų57.60%029%0.285CS..THydrogen-bonded Turntrans-106.120.7171.1-61.8170.5000112.8F96 S97 L100 S121 I122 Q123 G127 I166 A169 W170F96-L125 HydrophobicContact CD1-CD2 4.13Å; S97-L125 CarbonylContact O-C 3.59Å; S97-L125 WeakPolarHBondContact O-CA 3.37Å; S97-L125 VanDerWaalsContact O-O 3.13Å; L100-L125 WeakPolarHBondContact CA-O 3.44Å; L100-L125 HydrophobicContact CB-CB 4.19Å; L100-L125 WeakPolarHBondContact CB-O 3.46Å; L100-L125 HydrophobicContact CD1-CB 3.88Å; L100-L125 HydrophobicContact CD1-CD1 3.95Å; L100-L125 HydrophobicContact CG-CB 3.68Å; L100-L125 HydrophobicContact CG-CD1 4.15Å; L100-L125 PolarHBondContact N-O 3.49Å; S121-L125 WeakPolarHBondContact O-CG 3.47Å; S121-L125 PolarHBondContact O-N 3.22Å; S121-L125 VanDerWaalsContact O-N 3.14Å; I122-L125 CarbonylContact O-C 3.6Å; I122-L125 PolarHBondContact O-N 3.26Å; I122-L125 VanDerWaalsContact O-N 3.09Å; Q123-L125 PolarHBondContact O-N 3.12Å; L125-G127 VanDerWaalsContact C-N 3.27Å; L125-G127 PolarHBondContact O-N 2.88Å; L125-I166 HydrophobicContact CD1-CG2 4.11Å; L125-A169 HydrophobicContact CD1-CB 3.72Å; L125-W170 HydrophobicContact CD1-CD2 4.44Å; L125-W170 HydrophobicContact CD1-CG 4.17Å; L125-W170 HydrophobicContact CD2-CD2 4.01Å; L125-W170 HydrophobicContact CD2-CE3 4.33Å; L125-W170 HydrophobicContact CD2-CG 4.32Å; L125-W170 HydrophobicContact CD2-CZ2 4.48Å; L125-W170 HydrophobicContact CG-CD2 4.41Å; L125-W170 HydrophobicContact CG-CZ2 4.37Å
126H94.2Very high92.7Very high28 Ų2860.3 Ų60.313%0.1331%0.305CS..THydrogen-bonded Turntrans69.79.1177.8-143-144.5000116.6Y81 L95 S97 L101 I122 Q123Y81-H126 PolarHBondContact OH-CE1 3Å; Y81-H126 PolarHBondContact OH-NE2 3.21Å; L95-H126 HydrophobicContact CD1-CB 3.78Å; L95-H126 VanDerWaalsContact CD2-CD2 3.42Å; L95-H126 WeakPolarHBondContact CD2-CD2 3.14Å; S97-H126 WeakPolarHBondContact O-CB 3.43Å; S97-H126 PolarHBondContact O-N 3Å; L101-H126 WeakPolarHBondContact CD1-ND1 3.31Å; I122-H126 PolarHBondContact O-N 3.03Å; Q123-H126 PolarHBondContact O-N 3.39Å
127G94.8Very high92.9Very high2 Ų254.2 Ų54.22%0.02128%0.279CS..  trans-80.7149.4174.500000112.9L100 I122 Q123 L125L100-G127 WeakPolarHBondContact O-CA 3.4Å; I122-G127 WeakPolarHBondContact O-CA 3.23Å; I122-G127 PolarHBondContact O-N 2.76Å; Q123-G127 WeakPolarHBondContact CA-O 3.44Å; L125-G127 VanDerWaalsContact C-N 3.27Å; L125-G127 PolarHBondContact O-N 2.88Å
128S93.8Very high93.1Very high67 Ų6750.4 Ų50.447%0.46926%0.263SS..EExtended strand (participates in β ladder)trans-83.2143.2172-710000111A103 T104 A105A103-S128 PolarHBondContact O-N 3.43Å; T104-S128 WeakPolarHBondContact CA-O 3.38Å; A105-S128 PolarHBondContact N-O 3.41Å
129V94.1Very high93.2Very high45 Ų4549.8 Ų49.827%0.27326%0.26SS..EExtended strand (participates in β ladder)trans-119.2133.5-179.7-66.40000111.6A105 F119 I122 Q123A105-V129 WeakPolarHBondContact O-CA 3.49Å; F119-V129 HydrophobicContact CB-CB 4.43Å; F119-V129 HydrophobicContact CB-CG1 4.16Å; F119-V129 HydrophobicContact CB-CG2 4.48Å; F119-V129 HydrophobicContact CD1-CB 3.85Å; F119-V129 HydrophobicContact CD1-CG1 3.8Å; F119-V129 HydrophobicContact CE1-CB 4.29Å; F119-V129 HydrophobicContact CG-CB 4.22Å; F119-V129 HydrophobicContact CG-CG1 4.27Å; I122-V129 HydrophobicContact CB-CG1 3.62Å; I122-V129 HydrophobicContact CD1-CG1 4.2Å; I122-V129 HydrophobicContact CG2-CG1 3.52Å; Q123-V129 HydrophobicContact CG-CB 4.49Å; Q123-V129 HydrophobicContact CG-CG1 4Å; Q123-V129 HydrophobicContact CG-CG2 3.66Å
130S93Very high93.3Very high20 Ų2048.6 Ų48.614%0.1426%0.255CS..EExtended strand (participates in β ladder)trans-120.1132.6172.8-175.30000111.2A105 T106 F119 D132A105-S130 PolarHBondContact O-N 2.89Å; T106-S130 WeakPolarHBondContact CA-O 3.44Å; T106-S130 VanDerWaalsContact CB-O 3.31Å; T106-S130 WeakPolarHBondContact CB-O 3.3Å; T106-S130 PolarHBondContact OG1-O 3.46Å; F119-S130 WeakPolarHBondContact CZ-O 3.29Å; S130-D132 WeakPolarHBondContact CB-O 3.34Å; S130-D132 PolarHBondContact O-N 2.92Å; S130-D132 PolarHBondContact OG-N 3.27Å; S130-D132 PolarHBondContact OG-O 2.79Å
131R88.5Confident93.4Very high201 Ų20146.5 Ų46.576%0.75824%0.243SC*.SBendtrans-66.5-26.7170.6-70.7-173.3177.6-172.72.9112F119 K149F119-R131 HydrophobicContact CE2-CG 4.25Å; R131-K149 PolarHBondContact O-NZ 2.7Å
132D86.8Confident93.3Very high102 Ų10245.5 Ų45.555%0.54524%0.236SC..SBendtrans-125.2160.5-170.8-58.8-62.8000111.7S130 T134S130-D132 WeakPolarHBondContact CB-O 3.34Å; S130-D132 PolarHBondContact O-N 2.92Å; S130-D132 PolarHBondContact OG-N 3.27Å; S130-D132 PolarHBondContact OG-O 2.79Å; D132-T134 VanDerWaalsContact C-N 3.32Å; D132-T134 PolarHBondContact O-N 3.38Å; D132-T134 VanDerWaalsContact O-N 3.08Å
133L89.7Confident93Very high38 Ų3846.9 Ų46.920%0.19925%0.248CC..  trans-86.476.1-179-175.158000109.7T106 V137 I140 K149 V152 L158T106-L133 HydrophobicContact CG2-CD1 4.18Å; L133-V137 HydrophobicContact CD1-CB 4.05Å; L133-V137 HydrophobicContact CD1-CG1 3.88Å; L133-I140 HydrophobicContact CD1-CD1 3.84Å; L133-I140 HydrophobicContact CD1-CG1 4.37Å; L133-I140 HydrophobicContact CD2-CD1 4.27Å; L133-K149 HydrophobicContact CB-CG 4.35Å; L133-K149 HydrophobicContact CD2-CB 4.43Å; L133-V152 HydrophobicContact CD2-CB 3.83Å; L133-V152 HydrophobicContact CD2-CG1 3.68Å; L133-L158 HydrophobicContact CD1-CD1 3.87Å
134T90.1Very high92.8Very high65 Ų6547.6 Ų47.640%0.39925%0.25SS..  trans-82.5161.8174.860.10000110.9D132 N136 V137D132-T134 VanDerWaalsContact C-N 3.32Å; D132-T134 PolarHBondContact O-N 3.38Å; D132-T134 VanDerWaalsContact O-N 3.08Å; T134-N136 PolarHBondContact O-N 2.93Å; T134-N136 VanDerWaalsContact O-N 3.13Å; T134-V137 WeakPolarHBondContact O-CB 3.25Å; T134-V137 WeakPolarHBondContact O-CG2 3.5Å; T134-V137 PolarHBondContact O-N 3.08Å
135D88.1Confident92.7Very high125 Ų12547 Ų4767%0.66825%0.247SC*.THydrogen-bonded Turntrans-66.4-16.4-175.1-55.3-50000114.1V137 R156D135-V137 VanDerWaalsContact C-N 3.33Å; D135-R156 IonicContact OD1-CZ 3.41Å; D135-R156 IonicContact OD1-NH1 2.66Å; D135-R156 PolarHBondContact OD1-NH1 2.93Å; D135-R156 IonicContact OD1-NH2 2.77Å; D135-R156 PolarHBondContact OD1-NH2 2.93Å
136N90.4Very high92.3Very high134 Ų13448 Ų4872%0.71726%0.258SS*.THydrogen-bonded Turntrans-79.7-10.5173.5-65.9-5.4000113.4T104 T134 N138T104-N136 VanDerWaalsContact CB-O 3.3Å; T104-N136 WeakPolarHBondContact CB-O 3.41Å; T104-N136 WeakPolarHBondContact CG2-O 3.25Å; T134-N136 PolarHBondContact O-N 2.93Å; T134-N136 VanDerWaalsContact O-N 3.13Å; N136-N138 PolarHBondContact O-N 3.49Å
137V95.3Very high92.1Very high3 Ų347.9 Ų47.92%0.01826%0.26CS..  trans-74.3118.4-179.7174.80000110T104 T106 L133 T134 D135 V139 L158T104-V137 HydrophobicContact CG2-CG2 4.32Å; T104-V137 WeakPolarHBondContact O-CA 3.25Å; T106-V137 HydrophobicContact CG2-CG1 3.96Å; L133-V137 HydrophobicContact CD1-CB 4.05Å; L133-V137 HydrophobicContact CD1-CG1 3.88Å; T134-V137 WeakPolarHBondContact O-CB 3.25Å; T134-V137 WeakPolarHBondContact O-CG2 3.5Å; T134-V137 PolarHBondContact O-N 3.08Å; D135-V137 VanDerWaalsContact C-N 3.33Å; V137-V139 WeakPolarHBondContact CG1-O 3.34Å; V137-L158 WeakPolarHBondContact O-CD1 3.3Å; V137-L158 WeakPolarHBondContact O-CD2 3.5Å
138N95.1Very high91.9Very high51 Ų5155 Ų5527%0.27329%0.291SS..  trans-105.3-15.1176.463.82.9000113.7N102 T104 N136 H159N102-N138 PolarHBondContact O-ND2 2.67Å; T104-N138 PolarHBondContact N-OD1 2.99Å; T104-N138 PolarHBondContact O-N 3.48Å; T104-N138 PolarHBondContact O-OD1 2.65Å; N136-N138 PolarHBondContact O-N 3.49Å; N138-H159 PolarHBondContact O-N 2.87Å
139V96.8Very high91.8Very high0 Ų053.9 Ų53.90%028%0.277CS..EExtended strand (participates in β ladder)trans-123.9136.6178.3177.40000111.5A103 T104 A105 T106 V137 V141 H159 L161 W165 M182A103-V139 HydrophobicContact CB-CG2 4.25Å; T104-V139 PolarHBondContact O-N 3.2Å; A105-V139 VanDerWaalsContact CA-O 3.31Å; A105-V139 WeakPolarHBondContact CA-O 3.38Å; A105-V139 HydrophobicContact CB-CB 4.02Å; A105-V139 HydrophobicContact CB-CG1 4.18Å; T106-V139 PolarHBondContact N-O 3.11Å; V137-V139 WeakPolarHBondContact CG1-O 3.34Å; V139-V141 HydrophobicContact CG1-CG2 3.96Å; V139-H159 CarbonylContact C-O 3.57Å; V139-H159 WeakPolarHBondContact CA-O 3.05Å; V139-H159 HydrophobicContact CG2-CB 4.23Å; V139-L161 HydrophobicContact CG1-CD1 3.91Å; V139-L161 HydrophobicContact CG1-CG 4.28Å; V139-W165 HydrophobicContact CG1-CH2 4.19Å; V139-W165 HydrophobicContact CG1-CZ3 4.06Å; V139-W165 HydrophobicContact CG2-CH2 4.29Å; V139-M182 HydrophobicContact CG2-CE 3.67Å; V139-M182 HydrophobicContact CG2-SD 3.68Å
140I96.3Very high91.9Very high0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-118.1119.9165.9-54.2-165.3000109.3T106 T108 L133 K149 L158 H159 I160 L161T106-I140 HydrophobicContact CG2-CD1 4.41Å; T106-I140 HydrophobicContact CG2-CG1 4.06Å; T106-I140 HydrophobicContact CG2-CG2 4.34Å; T106-I140 WeakPolarHBondContact O-CA 3.47Å; T108-I140 HydrophobicContact CG2-CG2 3.71Å; L133-I140 HydrophobicContact CD1-CD1 3.84Å; L133-I140 HydrophobicContact CD1-CG1 4.37Å; L133-I140 HydrophobicContact CD2-CD1 4.27Å; I140-K149 VanDerWaalsContact CD1-O 3.22Å; I140-K149 WeakPolarHBondContact CD1-O 3.41Å; I140-L158 HydrophobicContact CD1-CD1 4.23Å; I140-L158 HydrophobicContact CG1-CD1 4.28Å; I140-H159 PolarHBondContact N-O 2.88Å; I140-I160 HydrophobicContact CB-CG1 4.25Å; I140-I160 CarbonylContact O-C 2.99Å; I140-I160 WeakPolarHBondContact O-CA 3.19Å; I140-L161 PolarHBondContact O-N 2.85Å
141V96.4Very high91.9Very high0 Ų052.1 Ų52.10%026%0.264CS..EExtended strand (participates in β ladder)trans-94.9121.7176.7-175.90000109.8T106 V107 T108 V139 L161 P163 W165 I166T106-V141 PolarHBondContact O-N 2.84Å; V107-V141 WeakPolarHBondContact CA-O 3.45Å; V107-V141 HydrophobicContact CG2-CB 4.28Å; T108-V141 PolarHBondContact N-O 3.38Å; T108-V141 VanDerWaalsContact N-O 3.08Å; V139-V141 HydrophobicContact CG1-CG2 3.96Å; V141-L161 WeakPolarHBondContact CA-O 3.49Å; V141-P163 HydrophobicContact CG1-CB 4.34Å; V141-P163 HydrophobicContact CG1-CG 4.18Å; V141-W165 HydrophobicContact CG2-CE3 4.39Å; V141-W165 HydrophobicContact CG2-CZ3 4.35Å; V141-I166 HydrophobicContact CG1-CD1 4.15Å; V141-I166 HydrophobicContact CG2-CD1 4.28Å
142T93.8Very high92.1Very high0 Ų045.7 Ų45.70%025%0.247CC..  trans-157.1151.8176.8-176.10000112.8T108 S109 K144 Y150 I160 L161 V192T108-T142 HydrophobicContact CG2-CG2 4.16Å; T108-T142 PolarHBondContact O-OG1 3.42Å; S109-T142 WeakPolarHBondContact CB-OG1 3.43Å; S109-T142 PolarHBondContact OG-OG1 3.01Å; T142-K144 PolarHBondContact OG1-N 3.39Å; T142-K144 VanDerWaalsContact OG1-N 3.1Å; T142-K144 PolarHBondContact OG1-O 2.88Å; T142-Y150 HydrophobicContact CG2-CD2 4.18Å; T142-I160 HydrophobicContact CG2-CG2 3.79Å; T142-L161 PolarHBondContact N-O 3.33Å; T142-V192 HydrophobicContact CG2-CG2 4.04Å; T142-V192 VanDerWaalsContact O-CG2 3.31Å; T142-V192 WeakPolarHBondContact O-CG2 3.29Å
143A90.3Very high92.4Very high30 Ų3040.8 Ų40.825%0.24822%0.221CC..SBendtrans-101-18.2167.700000113.7P163 S196 Q197A143-P163 HydrophobicContact CB-CG 4.34Å; A143-S196 PolarHBondContact O-OG 3.4Å; A143-Q197 WeakPolarHBondContact O-CG 3.49Å
144K91.1Very high92.6Very high69 Ų6939.6 Ų39.630%0.322%0.216SC..SBendtrans-126130-177.1-178.3174.9-179.6177.20110.5S109 T142 Q197 D464S109-K144 PolarHBondContact OG-O 3.42Å; T142-K144 PolarHBondContact OG1-N 3.39Å; T142-K144 VanDerWaalsContact OG1-N 3.1Å; T142-K144 PolarHBondContact OG1-O 2.88Å; K144-Q197 HydrophobicContact CB-CB 3.89Å; K144-Q197 HydrophobicContact CB-CG 4.34Å; K144-Q197 HydrophobicContact CG-CB 3.99Å; K144-D464 IonicContact NZ-OD2 3.24Å; K144-D464 PolarHBondContact NZ-OD2 2.82Å
145V93.1Very high92.6Very high6 Ų640.4 Ų40.44%0.03623%0.225CC..  trans-74.8-177.3179.5-55.50000112S147 Y150 V192 L198 A271V145-S147 VanDerWaalsContact C-N 3.29Å; V145-S147 PolarHBondContact O-N 2.71Å; V145-Y150 HydrophobicContact CB-CD1 4.25Å; V145-Y150 HydrophobicContact CB-CD2 4.29Å; V145-Y150 HydrophobicContact CB-CE1 3.81Å; V145-Y150 HydrophobicContact CB-CE2 3.86Å; V145-Y150 HydrophobicContact CB-CG 4.49Å; V145-Y150 HydrophobicContact CG1-CD2 4.29Å; V145-Y150 HydrophobicContact CG1-CE1 4.3Å; V145-Y150 HydrophobicContact CG1-CE2 3.55Å; V145-V192 HydrophobicContact CG1-CG1 3.86Å; V145-L198 HydrophobicContact CG2-CD1 3.6Å; V145-L198 HydrophobicContact CG2-CD2 3.83Å; V145-L198 HydrophobicContact CG2-CG 3.65Å; V145-A271 HydrophobicContact CB-CB 4.13Å; V145-A271 HydrophobicContact CG2-CB 3.9Å
146G87.2Confident92.8Very high21 Ų2140.1 Ų40.122%0.21621%0.214CC..  trans78.5-10.6172.600000116.9
147S90.7Very high92.8Very high26 Ų2640.2 Ų40.218%0.18222%0.215CC..  trans-66.5146.7174.474.10000112.1T108 V145 K149 Y150 L151T108-S147 VanDerWaalsContact CG2-OG 3.25Å; T108-S147 WeakPolarHBondContact CG2-OG 3.25Å; T108-S147 WeakPolarHBondContact OG1-CB 3.49Å; T108-S147 PolarHBondContact OG1-OG 3.13Å; V145-S147 VanDerWaalsContact C-N 3.29Å; V145-S147 PolarHBondContact O-N 2.71Å; S147-K149 PolarHBondContact O-N 2.87Å; S147-K149 VanDerWaalsContact O-N 3.07Å; S147-Y150 WeakPolarHBondContact O-CA 3.29Å; S147-Y150 VanDerWaalsContact O-CB 3.28Å; S147-Y150 WeakPolarHBondContact O-CB 3.29Å; S147-Y150 PolarHBondContact O-N 2.87Å; S147-Y150 WeakPolarHBondContact OG-CB 3.3Å; S147-Y150 PolarHBondContact OG-N 3Å; S147-L151 PolarHBondContact O-N 2.85Å
148K89.8Confident92.8Very high152 Ų15241.9 Ų41.966%0.66122%0.224SC*.Hα-helixtrans-53.9-34.2180-63.9-171.3177.4-176.20113.2V152K148-V152 WeakPolarHBondContact O-CG2 3.46Å; K148-V152 PolarHBondContact O-N 3.38Å; K148-V152 VanDerWaalsContact O-N 3.16Å
149K92.1Very high92.8Very high44 Ų4443.1 Ų43.119%0.19123%0.228CC..Hα-helixtrans-67.1-39.1171.1-76.1-171.4173.8-172.50114T106 T108 R131 L133 I140 S147 G153T106-K149 HydrophobicContact CG2-CD 4.23Å; T106-K149 PolarHBondContact OG1-NZ 2.96Å; T108-K149 HydrophobicContact CG2-CB 4.29Å; R131-K149 PolarHBondContact O-NZ 2.7Å; L133-K149 HydrophobicContact CB-CG 4.35Å; L133-K149 HydrophobicContact CD2-CB 4.43Å; I140-K149 VanDerWaalsContact CD1-O 3.22Å; I140-K149 WeakPolarHBondContact CD1-O 3.41Å; S147-K149 PolarHBondContact O-N 2.87Å; S147-K149 VanDerWaalsContact O-N 3.07Å; K149-G153 PolarHBondContact O-N 3.04Å
150Y94.9Very high92.8Very high4 Ų444 Ų442%0.01623%0.232CC..Hα-helixtrans-62.9-47.3176167.1-85.5000110.4T142 V145 S147 G153 A154 I160 A271T142-Y150 HydrophobicContact CG2-CD2 4.18Å; V145-Y150 HydrophobicContact CB-CD1 4.25Å; V145-Y150 HydrophobicContact CB-CD2 4.29Å; V145-Y150 HydrophobicContact CB-CE1 3.81Å; V145-Y150 HydrophobicContact CB-CE2 3.86Å; V145-Y150 HydrophobicContact CB-CG 4.49Å; V145-Y150 HydrophobicContact CG1-CD2 4.29Å; V145-Y150 HydrophobicContact CG1-CE1 4.3Å; V145-Y150 HydrophobicContact CG1-CE2 3.55Å; S147-Y150 WeakPolarHBondContact O-CA 3.29Å; S147-Y150 VanDerWaalsContact O-CB 3.28Å; S147-Y150 WeakPolarHBondContact O-CB 3.29Å; S147-Y150 PolarHBondContact O-N 2.87Å; S147-Y150 WeakPolarHBondContact OG-CB 3.3Å; S147-Y150 PolarHBondContact OG-N 3Å; Y150-G153 PolarHBondContact O-N 3.04Å; Y150-A154 VanDerWaalsContact O-CB 3.31Å; Y150-A154 WeakPolarHBondContact O-CB 3.33Å; Y150-A154 PolarHBondContact O-N 3.14Å; Y150-I160 HydrophobicContact CD2-CD1 3.99Å; Y150-I160 HydrophobicContact CD2-CG2 3.82Å; Y150-I160 HydrophobicContact CE2-CD1 4.06Å; Y150-I160 HydrophobicContact CE2-CG2 3.95Å; Y150-A271 HydrophobicContact CE1-CB 4.04Å; Y150-A271 WeakPolarHBondContact CE1-O 3.44Å; Y150-A271 PolarHBondContact OH-N 3.48Å
151L93.4Very high92.8Very high24 Ų2444 Ų4413%0.12623%0.232CC..Hα-helixtrans-61-50.4-179.8-64.8169.7000111.7S147 G153 A154 S155 A271 D273S147-L151 PolarHBondContact O-N 2.85Å; L151-G153 VanDerWaalsContact C-N 3.35Å; L151-G153 PolarHBondContact O-N 2.82Å; L151-A154 PolarHBondContact O-N 3.31Å; L151-S155 PolarHBondContact O-N 3.46Å; L151-S155 PolarHBondContact O-OG 2.75Å; L151-A271 VanDerWaalsContact CD2-O 3.28Å; L151-A271 WeakPolarHBondContact CD2-O 3.31Å; L151-D273 HydrophobicContact CD1-CB 4Å; L151-D273 WeakPolarHBondContact CD1-OD2 3.42Å; L151-D273 HydrophobicContact CD2-CB 4.44Å
152V93Very high92.8Very high65 Ų6545.6 Ų45.639%0.39424%0.241SC..Hα-helixtrans-66.3-35.3177.8175.90000112.2L133 K148 S155 R156L133-V152 HydrophobicContact CD2-CB 3.83Å; L133-V152 HydrophobicContact CD2-CG1 3.68Å; K148-V152 WeakPolarHBondContact O-CG2 3.46Å; K148-V152 PolarHBondContact O-N 3.38Å; K148-V152 VanDerWaalsContact O-N 3.16Å; V152-S155 PolarHBondContact O-OG 2.87Å; V152-R156 WeakPolarHBondContact O-CB 3.49Å; V152-R156 WeakPolarHBondContact O-CD 3.46Å; V152-R156 VanDerWaalsContact O-CG 3.23Å; V152-R156 WeakPolarHBondContact O-CG 3.48Å; V152-R156 PolarHBondContact O-N 3.41Å; V152-R156 VanDerWaalsContact O-N 3.15Å
153G92.9Very high92.8Very high0 Ų046.7 Ų46.70%025%0.248CC..Hα-helixtrans-67.6-37.4174.400000113.1K149 Y150 L151 R156 N157 L158K149-G153 PolarHBondContact O-N 3.04Å; Y150-G153 PolarHBondContact O-N 3.04Å; L151-G153 VanDerWaalsContact C-N 3.35Å; L151-G153 PolarHBondContact O-N 2.82Å; G153-R156 CarbonylContact O-C 3.51Å; G153-R156 PolarHBondContact O-N 3.36Å; G153-N157 PolarHBondContact O-N 3.03Å; G153-N157 VanDerWaalsContact O-N 3.12Å; G153-L158 PolarHBondContact O-N 2.68Å
154A93.3Very high93Very high12 Ų1249.6 Ų49.610%0.09926%0.259CS..Hα-helixtrans-71.6-42.217900000111.4Y150 L151 R156 N157 I160 Y270Y150-A154 VanDerWaalsContact O-CB 3.31Å; Y150-A154 WeakPolarHBondContact O-CB 3.33Å; Y150-A154 PolarHBondContact O-N 3.14Å; L151-A154 PolarHBondContact O-N 3.31Å; A154-R156 PolarHBondContact O-N 3.35Å; A154-N157 PolarHBondContact O-N 2.68Å; A154-I160 HydrophobicContact CB-CD1 3.69Å; A154-Y270 HydrophobicContact CB-CD1 3.96Å; A154-Y270 HydrophobicContact CB-CD2 3.38Å; A154-Y270 HydrophobicContact CB-CE1 4.22Å; A154-Y270 HydrophobicContact CB-CE2 3.68Å; A154-Y270 HydrophobicContact CB-CG 3.53Å
155S90.4Very high93.2Very high83 Ų8346.3 Ų46.358%0.5825%0.245SC*.Hα-helixtrans-64.5-25.1173.366.60000113.1L151 V152L151-S155 PolarHBondContact O-N 3.46Å; L151-S155 PolarHBondContact O-OG 2.75Å; V152-S155 PolarHBondContact O-OG 2.87Å
156R91.8Very high93.4Very high118 Ų11846.4 Ų46.445%0.44525%0.245SC..THydrogen-bonded Turntrans-891.8172.6-72173.5168.9-140.6-6.3114D135 V152 G153 A154 L158D135-R156 IonicContact OD1-CZ 3.41Å; D135-R156 IonicContact OD1-NH1 2.66Å; D135-R156 PolarHBondContact OD1-NH1 2.93Å; D135-R156 IonicContact OD1-NH2 2.77Å; D135-R156 PolarHBondContact OD1-NH2 2.93Å; V152-R156 WeakPolarHBondContact O-CB 3.49Å; V152-R156 WeakPolarHBondContact O-CD 3.46Å; V152-R156 VanDerWaalsContact O-CG 3.23Å; V152-R156 WeakPolarHBondContact O-CG 3.48Å; V152-R156 PolarHBondContact O-N 3.41Å; V152-R156 VanDerWaalsContact O-N 3.15Å; G153-R156 CarbonylContact O-C 3.51Å; G153-R156 PolarHBondContact O-N 3.36Å; A154-R156 PolarHBondContact O-N 3.35Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-L158 HydrophobicContact CB-CD2 4.23Å; R156-L158 HydrophobicContact CB-CG 3.97Å; R156-L158 PolarHBondContact O-N 2.8Å
157N91.6Very high93.7Very high137 Ų13749.8 Ų49.873%0.73326%0.262SS*.THydrogen-bonded Turntrans53.938.8-177.8-163.639.1000114.4G153 A154G153-N157 PolarHBondContact O-N 3.03Å; G153-N157 VanDerWaalsContact O-N 3.12Å; A154-N157 PolarHBondContact O-N 2.68Å
158L95Very high93.9Very high37 Ų3749.9 Ų49.919%0.19426%0.259CS..  trans-76.1159175.2-54.3-175.8000111.5L133 V137 I140 G153 R156 I160L133-L158 HydrophobicContact CD1-CD1 3.87Å; V137-L158 WeakPolarHBondContact O-CD1 3.3Å; V137-L158 WeakPolarHBondContact O-CD2 3.5Å; I140-L158 HydrophobicContact CD1-CD1 4.23Å; I140-L158 HydrophobicContact CG1-CD1 4.28Å; G153-L158 PolarHBondContact O-N 2.68Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-L158 HydrophobicContact CB-CD2 4.23Å; R156-L158 HydrophobicContact CB-CG 3.97Å; R156-L158 PolarHBondContact O-N 2.8Å; L158-I160 PolarHBondContact O-N 3.37Å
159H95.8Very high94.2Very high78 Ų7842.6 Ų42.636%0.36123%0.227SC..EExtended strand (participates in β ladder)trans-72.598.6175.7-65.2-78.5000110.5N138 V139 I140 L161N138-H159 PolarHBondContact O-N 2.87Å; V139-H159 CarbonylContact C-O 3.57Å; V139-H159 WeakPolarHBondContact CA-O 3.05Å; V139-H159 HydrophobicContact CG2-CB 4.23Å; I140-H159 PolarHBondContact N-O 2.88Å; H159-L161 HydrophobicContact CB-CD1 4.37Å; H159-L161 HydrophobicContact CB-CD2 4.32Å; H159-L161 HydrophobicContact CB-CG 4.21Å
160I95.8Very high94.3Very high18 Ų1843.1 Ų43.19%0.09223%0.228CC..EExtended strand (participates in β ladder)trans-90.6107.9176.1-56.8168.6000109.4I140 T142 Y150 A154 L158 R191 V192I140-I160 HydrophobicContact CB-CG1 4.25Å; I140-I160 CarbonylContact O-C 2.99Å; I140-I160 WeakPolarHBondContact O-CA 3.19Å; T142-I160 HydrophobicContact CG2-CG2 3.79Å; Y150-I160 HydrophobicContact CD2-CD1 3.99Å; Y150-I160 HydrophobicContact CD2-CG2 3.82Å; Y150-I160 HydrophobicContact CE2-CD1 4.06Å; Y150-I160 HydrophobicContact CE2-CG2 3.95Å; A154-I160 HydrophobicContact CB-CD1 3.69Å; L158-I160 PolarHBondContact O-N 3.37Å; I160-R191 WeakPolarHBondContact O-CA 3.49Å; I160-V192 HydrophobicContact CG2-CB 4.02Å; I160-V192 HydrophobicContact CG2-CG2 3.73Å; I160-V192 PolarHBondContact O-N 2.96Å
161L96.8Very high94.2Very high1 Ų148.3 Ų48.31%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-119.4147.1-167.3-54.2-179.2000112.9V139 I140 V141 T142 H159 W165 T187 Y190 V192V139-L161 HydrophobicContact CG1-CD1 3.91Å; V139-L161 HydrophobicContact CG1-CG 4.28Å; I140-L161 PolarHBondContact O-N 2.85Å; V141-L161 WeakPolarHBondContact CA-O 3.49Å; T142-L161 PolarHBondContact N-O 3.33Å; H159-L161 HydrophobicContact CB-CD1 4.37Å; H159-L161 HydrophobicContact CB-CD2 4.32Å; H159-L161 HydrophobicContact CB-CG 4.21Å; L161-W165 HydrophobicContact CB-CB 4.36Å; L161-W165 HydrophobicContact CB-CG 4.43Å; L161-W165 HydrophobicContact CD1-CD2 3.55Å; L161-W165 VanDerWaalsContact CD1-CE2 3.5Å; L161-W165 HydrophobicContact CD1-CE3 4.06Å; L161-W165 HydrophobicContact CD1-CG 3.78Å; L161-W165 HydrophobicContact CD1-CH2 4.48Å; L161-W165 HydrophobicContact CD1-CZ2 4Å; L161-T187 HydrophobicContact CD1-CG2 4.25Å; L161-T187 WeakPolarHBondContact CD2-O 3.28Å; L161-Y190 CarbonylContact C-O 3.54Å; L161-Y190 WeakPolarHBondContact CA-O 3.45Å; L161-V192 VanDerWaalsContact C-CG2 3.41Å
162L95.6Very high94.2Very high33 Ų3347.7 Ų47.717%0.17324%0.244CC..  trans-69.5149.8171.7-68.9168.7000110.8D164 W165 Y190 V192L162-D164 PolarHBondContact O-N 2.99Å; L162-D164 VanDerWaalsContact O-N 3.08Å; L162-W165 VanDerWaalsContact O-CB 3.26Å; L162-W165 WeakPolarHBondContact O-CB 3.42Å; L162-W165 PolarHBondContact O-N 2.85Å; L162-W165 VanDerWaalsContact O-N 3.08Å; L162-Y190 PolarHBondContact N-O 3.43Å; L162-V192 HydrophobicContact CD2-CB 4.49Å; L162-V192 HydrophobicContact CD2-CG1 4.4Å; L162-V192 HydrophobicContact CD2-CG2 3.99Å; L162-V192 HydrophobicContact CG-CG2 4.06Å
163P94.3Very high94.1Very high23 Ų2344.7 Ų44.715%0.14923%0.226CC..THydrogen-bonded Turntrans-56-26.7176.3-25.835.6000114.1V141 A143 W165 I166V141-P163 HydrophobicContact CG1-CB 4.34Å; V141-P163 HydrophobicContact CG1-CG 4.18Å; A143-P163 HydrophobicContact CB-CG 4.34Å; P163-W165 PolarHBondContact O-N 3.24Å; P163-W165 VanDerWaalsContact O-N 3.15Å; P163-I166 WeakPolarHBondContact O-CB 3.2Å; P163-I166 PolarHBondContact O-N 3.01Å
164D94.4Very high93.9Very high91 Ų9147.9 Ų47.949%0.48724%0.241SC..Hα-helixtrans-61-20.3178-56.6-53.5000113.9L162 I166 T167 E168 Y190L162-D164 PolarHBondContact O-N 2.99Å; L162-D164 VanDerWaalsContact O-N 3.08Å; D164-I166 PolarHBondContact O-N 2.93Å; D164-T167 PolarHBondContact O-N 2.85Å; D164-E168 WeakPolarHBondContact O-CB 3.25Å; D164-E168 PolarHBondContact O-N 2.7Å; D164-Y190 HydrophobicContact CB-CD1 3.95Å; D164-Y190 HydrophobicContact CB-CE1 3.81Å
165W95.9Very high93.6Very high0 Ų052.1 Ų52.10%026%0.261CS..Hα-helixtrans-56.1-40.4169.1175.372.6000111.6L100 A103 V139 V141 L161 L162 P163 A169 M181 M182 Y190L100-W165 HydrophobicContact CD1-CH2 3.98Å; L100-W165 HydrophobicContact CD1-CZ3 4.02Å; L100-W165 HydrophobicContact CD2-CH2 3.57Å; L100-W165 HydrophobicContact CD2-CZ2 3.53Å; L100-W165 HydrophobicContact CD2-CZ3 4.18Å; L100-W165 HydrophobicContact CG-CH2 4.28Å; A103-W165 HydrophobicContact CB-CH2 3.85Å; A103-W165 HydrophobicContact CB-CZ2 4.45Å; V139-W165 HydrophobicContact CG1-CH2 4.19Å; V139-W165 HydrophobicContact CG1-CZ3 4.06Å; V139-W165 HydrophobicContact CG2-CH2 4.29Å; V141-W165 HydrophobicContact CG2-CE3 4.39Å; V141-W165 HydrophobicContact CG2-CZ3 4.35Å; L161-W165 HydrophobicContact CB-CB 4.36Å; L161-W165 HydrophobicContact CB-CG 4.43Å; L161-W165 HydrophobicContact CD1-CD2 3.55Å; L161-W165 VanDerWaalsContact CD1-CE2 3.5Å; L161-W165 HydrophobicContact CD1-CE3 4.06Å; L161-W165 HydrophobicContact CD1-CG 3.78Å; L161-W165 HydrophobicContact CD1-CH2 4.48Å; L161-W165 HydrophobicContact CD1-CZ2 4Å; L162-W165 VanDerWaalsContact O-CB 3.26Å; L162-W165 WeakPolarHBondContact O-CB 3.42Å; L162-W165 PolarHBondContact O-N 2.85Å; L162-W165 VanDerWaalsContact O-N 3.08Å; P163-W165 PolarHBondContact O-N 3.24Å; P163-W165 VanDerWaalsContact O-N 3.15Å; W165-A169 WeakPolarHBondContact O-CB 3.42Å; W165-A169 PolarHBondContact O-N 2.84Å; W165-M181 HydrophobicContact CG-CE 4.41Å; W165-M181 HydrophobicContact CZ2-CB 4.16Å; W165-M181 PolarHBondContact NE1-O 2.77Å; W165-M181 WeakPolarHBondContact O-CE 3.42Å; W165-M182 HydrophobicContact CH2-SD 4.43Å; W165-M182 HydrophobicContact CZ2-SD 3.9Å; W165-Y190 HydrophobicContact CB-CD1 4.36Å; W165-Y190 HydrophobicContact CB-CD2 4.28Å; W165-Y190 HydrophobicContact CB-CG 3.89Å
166I95.8Very high93.4Very high8 Ų851.2 Ų51.24%0.04125%0.248CC..Hα-helixtrans-74.8-40.5179.8-52.4175.7000110.1I118 I122 L125 V141 P163 D164 E168 A169 W170I118-I166 HydrophobicContact CG2-CD1 3.57Å; I122-I166 HydrophobicContact CD1-CD1 3.91Å; I122-I166 HydrophobicContact CG1-CD1 3.81Å; I122-I166 HydrophobicContact CG1-CG1 4.49Å; L125-I166 HydrophobicContact CD1-CG2 4.11Å; V141-I166 HydrophobicContact CG1-CD1 4.15Å; V141-I166 HydrophobicContact CG2-CD1 4.28Å; P163-I166 WeakPolarHBondContact O-CB 3.2Å; P163-I166 PolarHBondContact O-N 3.01Å; D164-I166 PolarHBondContact O-N 2.93Å; I166-E168 VanDerWaalsContact C-N 3.31Å; I166-E168 PolarHBondContact O-N 3.1Å; I166-A169 WeakPolarHBondContact O-CB 3.29Å; I166-A169 PolarHBondContact O-N 3.39Å; I166-W170 VanDerWaalsContact O-CD1 3.3Å; I166-W170 PolarHBondContact O-N 2.76Å
167T94.5Very high93.2Very high92 Ų9246.6 Ų46.656%0.56423%0.232SC*.Hα-helixtrans-59.6-42.3174.9-470000111.4D164 R171D164-T167 PolarHBondContact O-N 2.85Å; T167-R171 WeakPolarHBondContact O-CB 3.31Å; T167-R171 PolarHBondContact O-N 3.04Å; T167-R171 VanDerWaalsContact O-N 3.07Å
168E94.8Very high93Very high27 Ų2744.4 Ų44.413%0.12623%0.225CC..Hα-helixtrans-69.3-37.7174.4-174.479.2151.900112D164 I166 W170 R171 L172 M181 K189 Y190D164-E168 WeakPolarHBondContact O-CB 3.25Å; D164-E168 PolarHBondContact O-N 2.7Å; I166-E168 VanDerWaalsContact C-N 3.31Å; I166-E168 PolarHBondContact O-N 3.1Å; E168-W170 VanDerWaalsContact C-N 3.34Å; E168-W170 PolarHBondContact O-N 2.94Å; E168-R171 PolarHBondContact O-N 3.04Å; E168-R171 IonicContact OE1-CZ 3.62Å; E168-R171 IonicContact OE1-NH2 3.56Å; E168-R171 PolarHBondContact OE1-NH2 2.91Å; E168-R171 IonicContact OE2-CZ 3.64Å; E168-R171 VanDerWaalsContact OE2-CZ 3.25Å; E168-R171 IonicContact OE2-NE 2.69Å; E168-R171 PolarHBondContact OE2-NE 2.93Å; E168-R171 IonicContact OE2-NH2 3.58Å; E168-R171 PolarHBondContact OE2-NH2 2.89Å; E168-L172 HydrophobicContact CG-CD1 3.75Å; E168-L172 HydrophobicContact CG-CG 4.14Å; E168-L172 WeakPolarHBondContact O-CB 3.39Å; E168-L172 WeakPolarHBondContact O-CG 3.23Å; E168-L172 PolarHBondContact O-N 3.46Å; E168-M181 HydrophobicContact CB-CE 4.2Å; E168-M181 HydrophobicContact CG-CE 4.17Å; E168-K189 IonicContact OE1-NZ 2.68Å; E168-K189 PolarHBondContact OE1-NZ 2.91Å; E168-Y190 HydrophobicContact CB-CE1 4.47Å; E168-Y190 HydrophobicContact CB-CE2 3.96Å; E168-Y190 VanDerWaalsContact CB-OH 3.26Å; E168-Y190 WeakPolarHBondContact CB-OH 3.4Å; E168-Y190 HydrophobicContact CG-CE2 3.89Å; E168-Y190 WeakPolarHBondContact CG-OH 3.33Å; E168-Y190 PolarHBondContact OE1-OH 3.1Å
169A95.5Very high92.7Very high0 Ų043.2 Ų43.20%022%0.219CC..Hα-helixtrans-59.3-43.2175.900000111.9L100 L125 W165 I166 S173 M181L100-A169 HydrophobicContact CD2-CB 3.96Å; L125-A169 HydrophobicContact CD1-CB 3.72Å; W165-A169 WeakPolarHBondContact O-CB 3.42Å; W165-A169 PolarHBondContact O-N 2.84Å; I166-A169 WeakPolarHBondContact O-CB 3.29Å; I166-A169 PolarHBondContact O-N 3.39Å; A169-S173 VanDerWaalsContact O-CB 3.23Å; A169-S173 WeakPolarHBondContact O-CB 3.43Å; A169-S173 PolarHBondContact O-N 3.25Å; A169-S173 VanDerWaalsContact O-N 3.08Å; A169-S173 PolarHBondContact O-OG 3.17Å; A169-M181 HydrophobicContact CB-CE 4.09Å; A169-M181 HydrophobicContact CB-CG 3.73Å; A169-M181 HydrophobicContact CB-SD 4.28Å
170W94.5Very high92.5Very high55 Ų5541.7 Ų41.721%0.20821%0.214CC..Hα-helixtrans-60.3-54.3169.3-81.6103.4000111.6F57 F96 M124 L125 I166 E168 L172 S173 E174F57-W170 HydrophobicContact CB-CZ3 4.43Å; F57-W170 HydrophobicContact CD2-CH2 4.07Å; F57-W170 HydrophobicContact CD2-CZ3 4.36Å; F96-W170 HydrophobicContact CB-CE3 4.45Å; F96-W170 HydrophobicContact CB-CH2 3.79Å; F96-W170 HydrophobicContact CB-CZ3 3.6Å; F96-W170 HydrophobicContact CD1-CD2 4.43Å; F96-W170 AromaticContact CD1-CE3 3.39Å; F96-W170 HydrophobicContact CD1-CE3 3.39Å; F96-W170 HydrophobicContact CD1-CH2 4.27Å; F96-W170 AromaticContact CD1-CZ3 3.3Å; F96-W170 HydrophobicContact CD1-CZ3 3.3Å; F96-W170 AromaticContact CD2-CZ3 3.96Å; F96-W170 HydrophobicContact CD2-CZ3 3.96Å; F96-W170 AromaticContact CE1-CE3 3.7Å; F96-W170 HydrophobicContact CE1-CE3 3.7Å; F96-W170 AromaticContact CE1-CZ3 3.9Å; F96-W170 HydrophobicContact CE1-CZ3 3.9Å; F96-W170 HydrophobicContact CE2-CZ3 4.5Å; F96-W170 AromaticContact CG-CE3 3.96Å; F96-W170 HydrophobicContact CG-CE3 3.96Å; F96-W170 HydrophobicContact CG-CH2 4.06Å; F96-W170 AromaticContact CG-CZ3 3.33Å; F96-W170 HydrophobicContact CG-CZ3 3.33Å; F96-W170 HydrophobicContact CZ-CZ3 4.47Å; M124-W170 HydrophobicContact CB-CH2 4.04Å; M124-W170 HydrophobicContact CB-CZ2 3.84Å; M124-W170 HydrophobicContact CE-CH2 4.07Å; M124-W170 HydrophobicContact CE-CZ2 4.42Å; L125-W170 HydrophobicContact CD1-CD2 4.44Å; L125-W170 HydrophobicContact CD1-CG 4.17Å; L125-W170 HydrophobicContact CD2-CD2 4.01Å; L125-W170 HydrophobicContact CD2-CE3 4.33Å; L125-W170 HydrophobicContact CD2-CG 4.32Å; L125-W170 HydrophobicContact CD2-CZ2 4.48Å; L125-W170 HydrophobicContact CG-CD2 4.41Å; L125-W170 HydrophobicContact CG-CZ2 4.37Å; I166-W170 VanDerWaalsContact O-CD1 3.3Å; I166-W170 PolarHBondContact O-N 2.76Å; E168-W170 VanDerWaalsContact C-N 3.34Å; E168-W170 PolarHBondContact O-N 2.94Å; W170-L172 VanDerWaalsContact C-N 3.32Å; W170-L172 PolarHBondContact O-N 3.09Å; W170-S173 WeakPolarHBondContact O-CB 3.09Å; W170-S173 PolarHBondContact O-N 3.37Å; W170-E174 PolarHBondContact O-N 3.3Å
171R93.7Very high92.5Very high112 Ų11240.9 Ų40.942%0.42321%0.209SC..Hα-helixtrans-61.2-35.6-174.5-165.5-158.458.765.2-3113.5T167 E168T167-R171 WeakPolarHBondContact O-CB 3.31Å; T167-R171 PolarHBondContact O-N 3.04Å; T167-R171 VanDerWaalsContact O-N 3.07Å; E168-R171 PolarHBondContact O-N 3.04Å; E168-R171 IonicContact OE1-CZ 3.62Å; E168-R171 IonicContact OE1-NH2 3.56Å; E168-R171 PolarHBondContact OE1-NH2 2.91Å; E168-R171 IonicContact OE2-CZ 3.64Å; E168-R171 VanDerWaalsContact OE2-CZ 3.25Å; E168-R171 IonicContact OE2-NE 2.69Å; E168-R171 PolarHBondContact OE2-NE 2.93Å; E168-R171 IonicContact OE2-NH2 3.58Å; E168-R171 PolarHBondContact OE2-NH2 2.89Å
172L92Very high92.4Very high11 Ų1142.2 Ų42.26%0.05822%0.216CC..Hα-helixtrans-78.4-33.4175.1-71171.8000112E168 W170 E174 I175 Q176 I179 M181 Y186E168-L172 HydrophobicContact CG-CD1 3.75Å; E168-L172 HydrophobicContact CG-CG 4.14Å; E168-L172 WeakPolarHBondContact O-CB 3.39Å; E168-L172 WeakPolarHBondContact O-CG 3.23Å; E168-L172 PolarHBondContact O-N 3.46Å; W170-L172 VanDerWaalsContact C-N 3.32Å; W170-L172 PolarHBondContact O-N 3.09Å; L172-E174 PolarHBondContact O-N 3.46Å; L172-I175 HydrophobicContact CD2-CD1 4.42Å; L172-I175 WeakPolarHBondContact O-CG1 3.4Å; L172-I175 PolarHBondContact O-N 3.39Å; L172-Q176 PolarHBondContact O-N 3.24Å; L172-I179 HydrophobicContact CB-CD1 3.28Å; L172-I179 HydrophobicContact CD1-CD1 3.8Å; L172-I179 HydrophobicContact CG-CD1 4.18Å; L172-M181 HydrophobicContact CD1-SD 3.96Å; L172-Y186 HydrophobicContact CD1-CE1 3.64Å
173S92.4Very high92.2Very high2 Ų244.6 Ų44.61%0.01423%0.229CC..Hα-helixtrans-62.2-28.1177.6-67.10000113.4Q76 S97 A169 W170 I175Q76-S173 WeakPolarHBondContact CG-O 3.48Å; Q76-S173 PolarHBondContact NE2-O 3.27Å; S97-S173 WeakPolarHBondContact CB-OG 3.31Å; S97-S173 WeakPolarHBondContact OG-CB 3.18Å; S97-S173 PolarHBondContact OG-OG 2.83Å; A169-S173 VanDerWaalsContact O-CB 3.23Å; A169-S173 WeakPolarHBondContact O-CB 3.43Å; A169-S173 PolarHBondContact O-N 3.25Å; A169-S173 VanDerWaalsContact O-N 3.08Å; A169-S173 PolarHBondContact O-OG 3.17Å; W170-S173 WeakPolarHBondContact O-CB 3.09Å; W170-S173 PolarHBondContact O-N 3.37Å; S173-I175 PolarHBondContact O-N 3.29Å
174E88.8Confident91.9Very high68 Ų6845.2 Ų45.232%0.31824%0.239SC..THydrogen-bonded Turntrans-65-21.4171.9-75.1-172.3-121.800113.8R56 F96 W170 L172R56-E174 IonicContact CZ-OE2 3.72Å; R56-E174 VanDerWaalsContact NH1-CD 3.31Å; R56-E174 IonicContact NH1-OE1 3.52Å; R56-E174 PolarHBondContact NH1-OE1 2.88Å; R56-E174 IonicContact NH1-OE2 3.75Å; R56-E174 PolarHBondContact NH1-OE2 3.09Å; F96-E174 HydrophobicContact CE1-CG 4.2Å; F96-E174 HydrophobicContact CZ-CG 3.87Å; W170-E174 PolarHBondContact O-N 3.3Å; L172-E174 PolarHBondContact O-N 3.46Å
175I87.1Confident91.7Very high101 Ų10145.6 Ų45.652%0.51824%0.24SC..THydrogen-bonded Turntrans-132.9-16.4-165.263.7171.4000116.8L172 S173L172-I175 HydrophobicContact CD2-CD1 4.42Å; L172-I175 WeakPolarHBondContact O-CG1 3.4Å; L172-I175 PolarHBondContact O-N 3.39Å; S173-I175 PolarHBondContact O-N 3.29Å
176Q86.3Confident91.6Very high63 Ų6346.8 Ų46.829%0.29425%0.245SC..  trans-137.2108.2-170-176.8-167.5-44.200112.6Q76 L172 P178 I179Q76-Q176 VanDerWaalsContact NE2-C 3.27Å; Q76-Q176 PolarHBondContact NE2-O 3.36Å; L172-Q176 PolarHBondContact O-N 3.24Å; Q176-P178 PolarHBondContact NE2-O 3.14Å; Q176-I179 WeakPolarHBondContact O-CG2 3.5Å
177D85.8Confident91.5Very high21 Ų2146.9 Ų46.911%0.11225%0.245CC..SBendtrans-113.4136.2164.3164.457000109.2L14 L79 R83L14-D177 HydrophobicContact CD2-CB 3.95Å; L79-D177 HydrophobicContact CD1-CB 4.22Å; R83-D177 IonicContact CZ-OD1 2.78Å; R83-D177 IonicContact CZ-OD2 2.72Å; R83-D177 IonicContact NH1-OD1 2.62Å; R83-D177 PolarHBondContact NH1-OD1 2.84Å; R83-D177 IonicContact NH1-OD2 3.49Å; R83-D177 IonicContact NH2-OD1 2.71Å; R83-D177 PolarHBondContact NH2-OD1 2.91Å; R83-D177 IonicContact NH2-OD2 3.35Å; R83-D177 PolarHBondContact NH2-OD2 3.03Å
178P87.5Confident91.4Very high91 Ų9149.6 Ų49.659%0.59125%0.252SS*.SBendcis-74.1160.4-9.432.2-35.8000113.3Q176Q176-P178 PolarHBondContact NE2-O 3.14Å
179I89.9Confident91.3Very high12 Ų1253.8 Ų53.86%0.06227%0.269CS..  trans-139.5134.8172177.8159000110.8A99 L172 Q176 M181A99-I179 HydrophobicContact CB-CD1 4.42Å; A99-I179 HydrophobicContact CB-CG1 4.15Å; A99-I179 HydrophobicContact CB-CG2 3.81Å; L172-I179 HydrophobicContact CB-CD1 3.28Å; L172-I179 HydrophobicContact CD1-CD1 3.8Å; L172-I179 HydrophobicContact CG-CD1 4.18Å; Q176-I179 WeakPolarHBondContact O-CG2 3.5Å; I179-M181 HydrophobicContact CD1-CG 4.13Å; I179-M181 HydrophobicContact CD1-SD 3.81Å; I179-M181 HydrophobicContact CG1-CG 4.14Å; I179-M181 HydrophobicContact CG1-SD 4.24Å
180D92.3Very high91.3Very high47 Ų4755 Ų5525%0.25127%0.274SS..  trans-132.5117.3165.1-176.3-7.8000108.2N102 M182 L183 Y186N102-D180 PolarHBondContact ND2-OD2 3.35Å; D180-M182 VanDerWaalsContact C-N 3.29Å; D180-M182 VanDerWaalsContact OD1-CB 3.27Å; D180-M182 WeakPolarHBondContact OD1-CB 3.28Å; D180-M182 PolarHBondContact OD1-N 2.66Å; D180-L183 HydrophobicContact CB-CD1 4.39Å; D180-L183 HydrophobicContact CB-CG 4.17Å; D180-L183 WeakPolarHBondContact O-CD1 3.4Å; D180-L183 WeakPolarHBondContact O-CG 3.5Å; D180-Y186 WeakPolarHBondContact O-CD2 3.32Å
181M95Very high91.3Very high0 Ų059 Ų590%029%0.289CS..THydrogen-bonded Turntrans-84.8-0.9-179.2-67.9-69-6300113.5A99 L100 W165 E168 A169 L172 I179 Y186A99-M181 HydrophobicContact CB-CG 4.12Å; A99-M181 WeakPolarHBondContact O-CB 3.25Å; A99-M181 PolarHBondContact O-N 3.18Å; L100-M181 HydrophobicContact CD2-CB 3.62Å; L100-M181 HydrophobicContact CD2-CG 4.01Å; W165-M181 HydrophobicContact CG-CE 4.41Å; W165-M181 HydrophobicContact CZ2-CB 4.16Å; W165-M181 PolarHBondContact NE1-O 2.77Å; W165-M181 WeakPolarHBondContact O-CE 3.42Å; E168-M181 HydrophobicContact CB-CE 4.2Å; E168-M181 HydrophobicContact CG-CE 4.17Å; A169-M181 HydrophobicContact CB-CE 4.09Å; A169-M181 HydrophobicContact CB-CG 3.73Å; A169-M181 HydrophobicContact CB-SD 4.28Å; L172-M181 HydrophobicContact CD1-SD 3.96Å; I179-M181 HydrophobicContact CD1-CG 4.13Å; I179-M181 HydrophobicContact CD1-SD 3.81Å; I179-M181 HydrophobicContact CG1-CG 4.14Å; I179-M181 HydrophobicContact CG1-SD 4.24Å; M181-Y186 HydrophobicContact CE-CD1 4.1Å; M181-Y186 HydrophobicContact CE-CG 4.08Å; M181-Y186 HydrophobicContact SD-CD1 4.02Å; M181-Y186 HydrophobicContact SD-CD2 3.98Å; M181-Y186 HydrophobicContact SD-CE1 4.23Å; M181-Y186 HydrophobicContact SD-CE2 4.21Å; M181-Y186 HydrophobicContact SD-CG 3.89Å
182M95.1Very high91.4Very high29 Ų2954.1 Ų54.114%0.14327%0.272CS..THydrogen-bonded Turntrans-83.7-11.4171.1-63.7-58.8-61.500113N102 A103 V139 W165 D180 T187N102-M182 HydrophobicContact CB-CG 4.12Å; A103-M182 HydrophobicContact CB-CG 4.38Å; A103-M182 HydrophobicContact CB-SD 3.73Å; V139-M182 HydrophobicContact CG2-CE 3.67Å; V139-M182 HydrophobicContact CG2-SD 3.68Å; W165-M182 HydrophobicContact CH2-SD 4.43Å; W165-M182 HydrophobicContact CZ2-SD 3.9Å; D180-M182 VanDerWaalsContact C-N 3.29Å; D180-M182 VanDerWaalsContact OD1-CB 3.27Å; D180-M182 WeakPolarHBondContact OD1-CB 3.28Å; D180-M182 PolarHBondContact OD1-N 2.66Å; M182-T187 WeakPolarHBondContact O-CG2 3.42Å
183L91.3Very high91.5Very high84 Ų8455.8 Ų55.844%0.4428%0.283SS..SBendtrans-56.8143.5173.9-65173.2000111.4D180 I185 Y186 T187D180-L183 HydrophobicContact CB-CD1 4.39Å; D180-L183 HydrophobicContact CB-CG 4.17Å; D180-L183 WeakPolarHBondContact O-CD1 3.4Å; D180-L183 WeakPolarHBondContact O-CG 3.5Å; L183-I185 VanDerWaalsContact C-N 3.25Å; L183-I185 HydrophobicContact CB-CG1 4.17Å; L183-I185 PolarHBondContact O-N 3Å; L183-I185 VanDerWaalsContact O-N 3.14Å; L183-Y186 HydrophobicContact CB-CD2 4.15Å; L183-Y186 PolarHBondContact O-N 3.49Å; L183-T187 PolarHBondContact O-N 3.04Å; L183-T187 VanDerWaalsContact O-N 3.09Å; L183-T187 PolarHBondContact O-OG1 2.8Å
184G87.2Confident91.7Very high35 Ų3556.7 Ų56.736%0.36129%0.288SS..Hα-helixtrans-50.7-42-176.300000113.7Y186 T187 E188G184-Y186 PolarHBondContact O-N 2.57Å; G184-T187 WeakPolarHBondContact CA-OG1 3.41Å; G184-T187 PolarHBondContact O-N 2.88Å; G184-E188 VanDerWaalsContact O-CB 3.29Å; G184-E188 WeakPolarHBondContact O-CB 3.43Å; G184-E188 WeakPolarHBondContact O-CG 3.49Å; G184-E188 PolarHBondContact O-N 3.23Å
185I91Very high92Very high100 Ų10053.4 Ų53.451%0.51327%0.273SS..Hα-helixtrans-56.7-23178.164.6173.9000114.5L183 K189L183-I185 VanDerWaalsContact C-N 3.25Å; L183-I185 HydrophobicContact CB-CG1 4.17Å; L183-I185 PolarHBondContact O-N 3Å; L183-I185 VanDerWaalsContact O-N 3.14Å; I185-K189 WeakPolarHBondContact O-CB 3.35Å
186Y93Very high92.3Very high25 Ų2549.3 Ų49.310%0.09825%0.253CS..Hα-helixtrans-100.6-43.7175.4-60-62.3000111.5L172 D180 M181 L183 G184 E188 K189 Y190L172-Y186 HydrophobicContact CD1-CE1 3.64Å; D180-Y186 WeakPolarHBondContact O-CD2 3.32Å; M181-Y186 HydrophobicContact CE-CD1 4.1Å; M181-Y186 HydrophobicContact CE-CG 4.08Å; M181-Y186 HydrophobicContact SD-CD1 4.02Å; M181-Y186 HydrophobicContact SD-CD2 3.98Å; M181-Y186 HydrophobicContact SD-CE1 4.23Å; M181-Y186 HydrophobicContact SD-CE2 4.21Å; M181-Y186 HydrophobicContact SD-CG 3.89Å; L183-Y186 HydrophobicContact CB-CD2 4.15Å; L183-Y186 PolarHBondContact O-N 3.49Å; G184-Y186 PolarHBondContact O-N 2.57Å; Y186-E188 VanDerWaalsContact C-N 3.31Å; Y186-E188 PolarHBondContact O-N 3.06Å; Y186-K189 PolarHBondContact O-N 2.69Å; Y186-Y190 WeakPolarHBondContact O-CD2 3.46Å; Y186-Y190 PolarHBondContact O-N 2.95Å
187T93Very high92.6Very high9 Ų950.3 Ų50.36%0.05526%0.257CS..Hα-helixtrans-69.1-27.1-178.5560000113.1L161 M182 L183 G184 R191L161-T187 HydrophobicContact CD1-CG2 4.25Å; L161-T187 WeakPolarHBondContact CD2-O 3.28Å; M182-T187 WeakPolarHBondContact O-CG2 3.42Å; L183-T187 PolarHBondContact O-N 3.04Å; L183-T187 VanDerWaalsContact O-N 3.09Å; L183-T187 PolarHBondContact O-OG1 2.8Å; G184-T187 WeakPolarHBondContact CA-OG1 3.41Å; G184-T187 PolarHBondContact O-N 2.88Å; T187-R191 PolarHBondContact O-N 3.39Å
188E92.8Very high93Very high150 Ų15049.6 Ų49.670%0.70125%0.253SS*.THydrogen-bonded Turntrans-78.4-47.2170.3-66.4175.9-173.400111.8G184 Y186 Y190 R191G184-E188 VanDerWaalsContact O-CB 3.29Å; G184-E188 WeakPolarHBondContact O-CB 3.43Å; G184-E188 WeakPolarHBondContact O-CG 3.49Å; G184-E188 PolarHBondContact O-N 3.23Å; Y186-E188 VanDerWaalsContact C-N 3.31Å; Y186-E188 PolarHBondContact O-N 3.06Å; E188-Y190 PolarHBondContact O-N 3.37Å; E188-R191 VanDerWaalsContact O-CB 3.31Å; E188-R191 WeakPolarHBondContact O-CB 3.38Å; E188-R191 PolarHBondContact O-N 2.86Å; E188-R191 VanDerWaalsContact O-N 3.1Å
189K93.5Very high93.4Very high114 Ų11446.1 Ų46.150%0.49623%0.231SC..THydrogen-bonded Turntrans-55.9-36.2179.2177.7-171.4174-156.40112.7E168 I185 Y186E168-K189 IonicContact OE1-NZ 2.68Å; E168-K189 PolarHBondContact OE1-NZ 2.91Å; I185-K189 WeakPolarHBondContact O-CB 3.35Å; Y186-K189 PolarHBondContact O-N 2.69Å
190Y95.6Very high93.6Very high26 Ų2645.6 Ų45.610%0.10223%0.228CC..THydrogen-bonded Turntrans-103.610.9-179.8-66.9-76000114.1L161 L162 D164 W165 E168 Y186 E188 V192L161-Y190 CarbonylContact C-O 3.54Å; L161-Y190 WeakPolarHBondContact CA-O 3.45Å; L162-Y190 PolarHBondContact N-O 3.43Å; D164-Y190 HydrophobicContact CB-CD1 3.95Å; D164-Y190 HydrophobicContact CB-CE1 3.81Å; W165-Y190 HydrophobicContact CB-CD1 4.36Å; W165-Y190 HydrophobicContact CB-CD2 4.28Å; W165-Y190 HydrophobicContact CB-CG 3.89Å; E168-Y190 HydrophobicContact CB-CE1 4.47Å; E168-Y190 HydrophobicContact CB-CE2 3.96Å; E168-Y190 VanDerWaalsContact CB-OH 3.26Å; E168-Y190 WeakPolarHBondContact CB-OH 3.4Å; E168-Y190 HydrophobicContact CG-CE2 3.89Å; E168-Y190 WeakPolarHBondContact CG-OH 3.33Å; E168-Y190 PolarHBondContact OE1-OH 3.1Å; Y186-Y190 WeakPolarHBondContact O-CD2 3.46Å; Y186-Y190 PolarHBondContact O-N 2.95Å; E188-Y190 PolarHBondContact O-N 3.37Å; Y190-V192 PolarHBondContact O-N 3.33Å
191R94.9Very high93.6Very high139 Ų13943.3 Ų43.353%0.52522%0.216SC..BIsolated β-bridgetrans-59134.6175.1-178.9173.8172151.6-2110.7I160 T187 E188 P193 G269I160-R191 WeakPolarHBondContact O-CA 3.49Å; T187-R191 PolarHBondContact O-N 3.39Å; E188-R191 VanDerWaalsContact O-CB 3.31Å; E188-R191 WeakPolarHBondContact O-CB 3.38Å; E188-R191 PolarHBondContact O-N 2.86Å; E188-R191 VanDerWaalsContact O-N 3.1Å; R191-P193 WeakPolarHBondContact O-CD 3.31Å; R191-G269 PolarHBondContact NH2-O 3.23Å
192V95.2Very high93.5Very high9 Ų943.5 Ų43.56%0.05522%0.217CC..PPolyproline II helixtrans-65.5125.1178.8-179.10000110.4T142 V145 I160 L161 L162 Y190T142-V192 HydrophobicContact CG2-CG2 4.04Å; T142-V192 VanDerWaalsContact O-CG2 3.31Å; T142-V192 WeakPolarHBondContact O-CG2 3.29Å; V145-V192 HydrophobicContact CG1-CG1 3.86Å; I160-V192 HydrophobicContact CG2-CB 4.02Å; I160-V192 HydrophobicContact CG2-CG2 3.73Å; I160-V192 PolarHBondContact O-N 2.96Å; L161-V192 VanDerWaalsContact C-CG2 3.41Å; L162-V192 HydrophobicContact CD2-CB 4.49Å; L162-V192 HydrophobicContact CD2-CG1 4.4Å; L162-V192 HydrophobicContact CD2-CG2 3.99Å; L162-V192 HydrophobicContact CG-CG2 4.06Å; Y190-V192 PolarHBondContact O-N 3.33Å
193P95.1Very high93.2Very high47 Ų4743.2 Ų43.231%0.30522%0.218SC..PPolyproline II helixtrans-59.7147.2174.7-24.934.3000112.7R191 F195 S196 H220R191-P193 WeakPolarHBondContact O-CD 3.31Å; P193-F195 VanDerWaalsContact C-N 3.25Å; P193-F195 PolarHBondContact O-N 3.05Å; P193-F195 VanDerWaalsContact O-N 3.12Å; P193-S196 WeakPolarHBondContact O-CB 3.42Å; P193-S196 PolarHBondContact O-N 3.14Å; P193-H220 VanDerWaalsContact CB-O 3.32Å; P193-H220 WeakPolarHBondContact CB-O 3.4Å
194I95Very high92.7Very high20 Ų2042 Ų4210%0.10323%0.225CC..THydrogen-bonded Turntrans-51.4-43-172-51.6-175.1000111.9H220 V266 A271I194-H220 HydrophobicContact CB-CB 4.1Å; I194-H220 HydrophobicContact CD1-CB 4.43Å; I194-H220 HydrophobicContact CG1-CB 4.36Å; I194-H220 PolarHBondContact N-O 3.36Å; I194-V266 HydrophobicContact CD1-CG2 4.35Å; I194-A271 WeakPolarHBondContact O-CB 3.42Å
195F95.8Very high92.5Very high0 Ų040.7 Ų40.70%021%0.21CC..THydrogen-bonded Turntrans-109.228.1-178.3-54.4-48.4000113.3P193 Q197 L198 I200 H220 G222 W261 L262 V266P193-F195 VanDerWaalsContact C-N 3.25Å; P193-F195 PolarHBondContact O-N 3.05Å; P193-F195 VanDerWaalsContact O-N 3.12Å; F195-Q197 PolarHBondContact O-N 3.33Å; F195-L198 HydrophobicContact CB-CB 4.39Å; F195-L198 HydrophobicContact CB-CD1 4.27Å; F195-L198 HydrophobicContact CD1-CD1 4.22Å; F195-L198 WeakPolarHBondContact O-CB 3.31Å; F195-L198 PolarHBondContact O-N 3.47Å; F195-I200 HydrophobicContact CG-CD1 4.46Å; F195-H220 HydrophobicContact CD2-CB 3.77Å; F195-H220 HydrophobicContact CE2-CB 4.07Å; F195-H220 PolarHBondContact N-O 2.71Å; F195-G222 WeakPolarHBondContact O-CA 3.45Å; F195-W261 AromaticContact CD1-CH2 3.72Å; F195-W261 HydrophobicContact CD1-CH2 3.72Å; F195-W261 AromaticContact CD1-CZ3 3.76Å; F195-W261 HydrophobicContact CD1-CZ3 3.76Å; F195-W261 HydrophobicContact CE1-CE3 4.23Å; F195-W261 AromaticContact CE1-CH2 3.72Å; F195-W261 HydrophobicContact CE1-CH2 3.72Å; F195-W261 AromaticContact CE1-CZ3 3.45Å; F195-W261 HydrophobicContact CE1-CZ3 3.45Å; F195-W261 VanDerWaalsContact CE1-CZ3 3.45Å; F195-W261 HydrophobicContact CZ-CZ3 4.36Å; F195-L262 HydrophobicContact CE1-CD2 4Å; F195-L262 HydrophobicContact CE2-CD2 3.89Å; F195-L262 HydrophobicContact CZ-CD2 3.59Å; F195-V266 HydrophobicContact CE2-CG2 3.87Å; F195-V266 HydrophobicContact CZ-CG2 3.84Å
196S94.2Very high92.2Very high14 Ų1437.9 Ų37.910%0.09820%0.199CC..THydrogen-bonded Turntrans-60.2131.2-175.3-157.60000113.1A143 P193 L198A143-S196 PolarHBondContact O-OG 3.4Å; P193-S196 WeakPolarHBondContact O-CB 3.42Å; P193-S196 PolarHBondContact O-N 3.14Å; S196-L198 PolarHBondContact O-N 3.44Å
197Q91.5Very high91.8Very high85 Ų8541.6 Ų41.640%0.39722%0.224SC..THydrogen-bonded Turntrans59.520-172.2-59.7-71.6-600115.1A143 K144 F195A143-Q197 WeakPolarHBondContact O-CG 3.49Å; K144-Q197 HydrophobicContact CB-CB 3.89Å; K144-Q197 HydrophobicContact CB-CG 4.34Å; K144-Q197 HydrophobicContact CG-CB 3.99Å; F195-Q197 PolarHBondContact O-N 3.33Å
198L94.7Very high91.5Very high5 Ų546.4 Ų46.43%0.02625%0.246CC..  trans-97.5135.2169.8-54.9-171.6000111.5V145 F195 S196 I200 K223 W261V145-L198 HydrophobicContact CG2-CD1 3.6Å; V145-L198 HydrophobicContact CG2-CD2 3.83Å; V145-L198 HydrophobicContact CG2-CG 3.65Å; F195-L198 HydrophobicContact CB-CB 4.39Å; F195-L198 HydrophobicContact CB-CD1 4.27Å; F195-L198 HydrophobicContact CD1-CD1 4.22Å; F195-L198 WeakPolarHBondContact O-CB 3.31Å; F195-L198 PolarHBondContact O-N 3.47Å; S196-L198 PolarHBondContact O-N 3.44Å; L198-I200 HydrophobicContact CB-CD1 4.36Å; L198-I200 HydrophobicContact CB-CG1 4.21Å; L198-K223 PolarHBondContact O-N 2.88Å; L198-W261 HydrophobicContact CD1-CH2 3.56Å; L198-W261 HydrophobicContact CD1-CZ2 4.38Å; L198-W261 HydrophobicContact CD1-CZ3 4.44Å
199V94.8Very high91.2Very high19 Ų1940 Ų4012%0.11522%0.216CC..EExtended strand (participates in β ladder)trans-112.4119.7169.1-173.20000108.7K223 E232 T234 H235V199-K223 CarbonylContact C-O 3.39Å; V199-K223 VanDerWaalsContact CA-O 3.28Å; V199-K223 WeakPolarHBondContact CA-O 3.35Å; V199-K223 HydrophobicContact CG1-CB 4.43Å; V199-K223 HydrophobicContact CG1-CD 4.29Å; V199-K223 HydrophobicContact CG1-CG 4.42Å; V199-K223 HydrophobicContact CG2-CB 4.17Å; V199-K223 HydrophobicContact CG2-CD 4.09Å; V199-E232 WeakPolarHBondContact CB-O 3.32Å; V199-E232 HydrophobicContact CG2-CG 4.49Å; V199-E232 WeakPolarHBondContact CG2-O 3.46Å; V199-T234 PolarHBondContact N-OG1 3.38Å; V199-T234 PolarHBondContact O-N 3.24Å; V199-T234 PolarHBondContact O-OG1 3.41Å; V199-H235 PolarHBondContact O-N 3.32Å; V199-H235 VanDerWaalsContact O-N 3.07Å
200I94.9Very high91.1Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-118.3121.5-167-50.5-168.1000109.6F195 L198 V217 K223 S225 H235 V237 W261 L262F195-I200 HydrophobicContact CG-CD1 4.46Å; L198-I200 HydrophobicContact CB-CD1 4.36Å; L198-I200 HydrophobicContact CB-CG1 4.21Å; I200-V217 HydrophobicContact CB-CG1 4.27Å; I200-V217 HydrophobicContact CB-CG2 4.37Å; I200-V217 HydrophobicContact CD1-CG1 4.04Å; I200-V217 HydrophobicContact CD1-CG2 3.95Å; I200-V217 HydrophobicContact CG1-CG1 4.17Å; I200-V217 HydrophobicContact CG2-CG2 4.5Å; I200-K223 PolarHBondContact N-O 3.09Å; I200-S225 PolarHBondContact O-N 3.47Å; I200-H235 HydrophobicContact CB-CB 4.45Å; I200-H235 HydrophobicContact CG1-CB 4.16Å; I200-H235 HydrophobicContact CG2-CB 4.22Å; I200-V237 HydrophobicContact CG2-CG2 3.74Å; I200-W261 HydrophobicContact CD1-CZ3 4.1Å; I200-L262 HydrophobicContact CD1-CD2 3.81Å
201C92.9Very high90.8Very high0 Ų045.3 Ų45.30%024%0.237CC..EExtended strand (participates in β ladder)trans-110.2150.7176-165.80000110.4S225 T233 H235 L236 V237 K245C201-S225 WeakPolarHBondContact CA-O 3.44Å; C201-S225 PolarHBondContact SG-O 3.35Å; C201-T233 HydrophobicContact CB-CG2 3.62Å; C201-H235 PolarHBondContact N-O 3Å; C201-L236 CarbonylContact O-C 3.02Å; C201-L236 WeakPolarHBondContact O-CA 3.09Å; C201-V237 PolarHBondContact O-N 2.94Å; C201-K245 PolarHBondContact SG-NZ 3.46Å
202V92.5Very high90.6Very high4 Ų439.8 Ų39.82%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-120.8146.6-175.5-68.40000113L205 R210 V213 Y224 V237 K245V202-L205 HydrophobicContact CB-CD1 3.93Å; V202-L205 HydrophobicContact CG1-CD1 3.86Å; V202-R210 HydrophobicContact CG2-CG 3.76Å; V202-V213 HydrophobicContact CG1-CB 4.38Å; V202-V213 HydrophobicContact CG1-CG1 3.72Å; V202-Y224 HydrophobicContact CB-CE2 4.45Å; V202-Y224 HydrophobicContact CG1-CE2 4.02Å; V202-Y224 HydrophobicContact CG2-CE2 3.58Å; V202-Y224 VanDerWaalsContact CG2-OH 3.27Å; V202-Y224 WeakPolarHBondContact CG2-OH 3.47Å; V202-V237 CarbonylContact C-O 3.6Å; V202-V237 WeakPolarHBondContact CA-O 3.41Å; V202-V237 HydrophobicContact CG1-CB 4.14Å; V202-V237 HydrophobicContact CG1-CG1 4.43Å; V202-K245 WeakPolarHBondContact O-CD 3.41Å; V202-K245 PolarHBondContact O-NZ 3.14Å
203S88.4Confident90.5Very high23 Ų2339.4 Ų39.416%0.16121%0.214CC..EExtended strand (participates in β ladder)trans-137.5148.4172.6-169.70000111.2L205 V237S203-L205 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 3.3Å; S203-V237 PolarHBondContact N-O 3.29Å
204G80.8Confident90.4Very high57 Ų5738.5 Ų38.559%0.58821%0.209SC*.SBendtrans6922.9176.200000115.9
205L83.8Confident90.2Very high8 Ų840.7 Ų40.74%0.04222%0.221CC..  trans-112152178.2-60.2-172.9000112V202 S203 E209 R210 V213 R239 I259V202-L205 HydrophobicContact CB-CD1 3.93Å; V202-L205 HydrophobicContact CG1-CD1 3.86Å; S203-L205 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 3.3Å; L205-E209 VanDerWaalsContact CA-OE2 3.22Å; L205-E209 WeakPolarHBondContact CA-OE2 3.45Å; L205-E209 HydrophobicContact CB-CB 3.89Å; L205-E209 HydrophobicContact CD1-CB 4.42Å; L205-R210 HydrophobicContact CB-CG 4.05Å; L205-R210 VanDerWaalsContact O-CZ 3.28Å; L205-R210 PolarHBondContact O-NE 3.48Å; L205-R210 PolarHBondContact O-NH2 3.27Å; L205-V213 HydrophobicContact CD1-CG2 4.1Å; L205-R239 HydrophobicContact CD2-CG 4.23Å; L205-I259 HydrophobicContact CD1-CD1 3.95Å; L205-I259 HydrophobicContact CD2-CD1 4.11Å
206S84.7Confident90.2Very high42 Ų4241 Ų4129%0.29422%0.223SC..  trans-65.9177.3173.891.70000112.2E208 E209 R210S206-E208 VanDerWaalsContact C-N 3.34Å; S206-E208 WeakPolarHBondContact CB-OE2 3.18Å; S206-E208 PolarHBondContact OG-N 3.04Å; S206-E208 PolarHBondContact OG-OE2 3.41Å; S206-E209 PolarHBondContact N-OE2 3.3Å; S206-E209 WeakPolarHBondContact OG-CG 3.4Å; S206-E209 PolarHBondContact OG-N 3.35Å; S206-E209 VanDerWaalsContact OG-N 3.09Å; S206-R210 WeakPolarHBondContact O-CB 3.48Å; S206-R210 WeakPolarHBondContact O-CD 3.4Å; S206-R210 WeakPolarHBondContact O-CG 3.34Å; S206-R210 PolarHBondContact O-N 3.45Å; S206-R210 VanDerWaalsContact O-N 3.15Å; S206-R210 PolarHBondContact O-NE 3.23Å; S206-R210 VanDerWaalsContact O-NE 3.13Å
207V83.2Confident90.2Very high103 Ų10340.4 Ų40.462%0.62422%0.218SC*.Hα-helixtrans-71.8-36.1177.9179.70000110.6K211V207-K211 PolarHBondContact O-N 2.97Å; V207-K211 VanDerWaalsContact O-N 3.15Å
208E87.2Confident90.3Very high110 Ų11039.4 Ų39.451%0.51422%0.221SC..Hα-helixtrans-68.8-50.6178.7-52.466.7-141.600110.2S206 R210 K211 E212S206-E208 VanDerWaalsContact C-N 3.34Å; S206-E208 WeakPolarHBondContact CB-OE2 3.18Å; S206-E208 PolarHBondContact OG-N 3.04Å; S206-E208 PolarHBondContact OG-OE2 3.41Å; E208-R210 VanDerWaalsContact C-N 3.3Å; E208-R210 PolarHBondContact O-N 2.97Å; E208-K211 WeakPolarHBondContact O-CB 3.21Å; E208-K211 PolarHBondContact O-N 2.89Å; E208-E212 PolarHBondContact O-N 3.06Å
209E87.7Confident90.3Very high16 Ų1643 Ų438%0.07524%0.236CC..Hα-helixtrans-58.9-39.2175.8-71.3171.8162.600112.3L205 S206 K211 E212 V213 R239 M974L205-E209 VanDerWaalsContact CA-OE2 3.22Å; L205-E209 WeakPolarHBondContact CA-OE2 3.45Å; L205-E209 HydrophobicContact CB-CB 3.89Å; L205-E209 HydrophobicContact CD1-CB 4.42Å; S206-E209 PolarHBondContact N-OE2 3.3Å; S206-E209 WeakPolarHBondContact OG-CG 3.4Å; S206-E209 PolarHBondContact OG-N 3.35Å; S206-E209 VanDerWaalsContact OG-N 3.09Å; E209-K211 VanDerWaalsContact C-N 3.33Å; E209-E212 PolarHBondContact O-N 3.24Å; E209-V213 WeakPolarHBondContact O-CB 3.39Å; E209-V213 WeakPolarHBondContact O-CG2 3.33Å; E209-V213 PolarHBondContact O-N 2.89Å; E209-R239 IonicContact OE1-CZ 3.63Å; E209-R239 VanDerWaalsContact OE1-CZ 3.23Å; E209-R239 IonicContact OE1-NH1 3.37Å; E209-R239 PolarHBondContact OE1-NH1 3.32Å; E209-R239 IonicContact OE1-NH2 2.72Å; E209-R239 PolarHBondContact OE1-NH2 2.95Å; E209-R239 IonicContact OE2-CZ 2.73Å; E209-R239 IonicContact OE2-NH1 2.78Å; E209-R239 PolarHBondContact OE2-NH1 2.82Å; E209-R239 IonicContact OE2-NH2 3.17Å; E209-M974 HydrophobicContact CG-SD 3.53Å; E209-M974 VanDerWaalsContact CG-SD 3.53Å
210R90.1Very high90.3Very high114 Ų11443.5 Ų43.543%0.4324%0.237SC..Hα-helixtrans-63.5-38.3174.3-76.7177.2-129.9175.83.1112.2V202 L205 S206 E208 S214V202-R210 HydrophobicContact CG2-CG 3.76Å; L205-R210 HydrophobicContact CB-CG 4.05Å; L205-R210 VanDerWaalsContact O-CZ 3.28Å; L205-R210 PolarHBondContact O-NE 3.48Å; L205-R210 PolarHBondContact O-NH2 3.27Å; S206-R210 WeakPolarHBondContact O-CB 3.48Å; S206-R210 WeakPolarHBondContact O-CD 3.4Å; S206-R210 WeakPolarHBondContact O-CG 3.34Å; S206-R210 PolarHBondContact O-N 3.45Å; S206-R210 VanDerWaalsContact O-N 3.15Å; S206-R210 PolarHBondContact O-NE 3.23Å; S206-R210 VanDerWaalsContact O-NE 3.13Å; E208-R210 VanDerWaalsContact C-N 3.3Å; E208-R210 PolarHBondContact O-N 2.97Å; R210-S214 VanDerWaalsContact O-CB 3.24Å; R210-S214 WeakPolarHBondContact O-CB 3.49Å; R210-S214 PolarHBondContact O-N 2.72Å
211K89.6Confident90.1Very high137 Ų13745.3 Ų45.360%0.59626%0.256SS*.Hα-helixtrans-67.9-46.7175.7-171.3-174173.5-171.70110.6V207 E208 E209 V213 S214 D215V207-K211 PolarHBondContact O-N 2.97Å; V207-K211 VanDerWaalsContact O-N 3.15Å; E208-K211 WeakPolarHBondContact O-CB 3.21Å; E208-K211 PolarHBondContact O-N 2.89Å; E209-K211 VanDerWaalsContact C-N 3.33Å; K211-V213 VanDerWaalsContact C-N 3.35Å; K211-V213 PolarHBondContact O-N 3.08Å; K211-S214 WeakPolarHBondContact O-CA 3.46Å; K211-S214 WeakPolarHBondContact O-CB 3.45Å; K211-S214 PolarHBondContact O-N 3Å; K211-D215 WeakPolarHBondContact CE-OD2 3.5Å; K211-D215 WeakPolarHBondContact O-CB 2.99Å; K211-D215 PolarHBondContact O-N 2.93Å
212E91.3Very high90.2Very high22 Ų2246 Ų4610%0.10326%0.262CS..Hα-helixtrans-61.8-41.1-179.9-72.8169.9-154.700112.1E208 E209 L216 R970E208-E212 PolarHBondContact O-N 3.06Å; E209-E212 PolarHBondContact O-N 3.24Å; E212-L216 WeakPolarHBondContact O-CB 3.22Å; E212-L216 PolarHBondContact O-N 2.68Å; E212-R970 IonicContact OE1-CZ 3.19Å; E212-R970 IonicContact OE1-NH1 3.96Å; E212-R970 PolarHBondContact OE1-NH1 2.95Å; E212-R970 IonicContact OE1-NH2 2.96Å; E212-R970 PolarHBondContact OE1-NH2 2.87Å; E212-R970 IonicContact OE2-CZ 3.69Å; E212-R970 IonicContact OE2-NH1 2.72Å; E212-R970 PolarHBondContact OE2-NH1 2.92Å; E212-R970 IonicContact OE2-NH2 3.25Å
213V92.4Very high90.3Very high1 Ų150.8 Ų50.81%0.00628%0.283CS..Hα-helixtrans-66.5-40171.2171.60000112V202 L205 E209 K211 L216 V217 Y224 I259 L262 L971V202-V213 HydrophobicContact CG1-CB 4.38Å; V202-V213 HydrophobicContact CG1-CG1 3.72Å; L205-V213 HydrophobicContact CD1-CG2 4.1Å; E209-V213 WeakPolarHBondContact O-CB 3.39Å; E209-V213 WeakPolarHBondContact O-CG2 3.33Å; E209-V213 PolarHBondContact O-N 2.89Å; K211-V213 VanDerWaalsContact C-N 3.35Å; K211-V213 PolarHBondContact O-N 3.08Å; V213-L216 PolarHBondContact O-N 3.42Å; V213-V217 HydrophobicContact CG1-CG2 4.06Å; V213-V217 WeakPolarHBondContact O-CB 3.42Å; V213-V217 VanDerWaalsContact O-CG2 3.25Å; V213-V217 WeakPolarHBondContact O-CG2 3.46Å; V213-V217 PolarHBondContact O-N 3.25Å; V213-Y224 HydrophobicContact CG1-CD2 4.45Å; V213-I259 HydrophobicContact CG2-CD1 3.83Å; V213-I259 HydrophobicContact CG2-CG1 4.41Å; V213-L262 HydrophobicContact CG1-CD1 3.65Å; V213-L262 HydrophobicContact CG2-CD1 4.21Å; V213-L971 HydrophobicContact CG2-CD2 4.3Å
214S92.7Very high90.6Very high28 Ų2852.1 Ų52.120%0.19629%0.285CS..Hα-helixtrans-60-47.3176.5-178.90000112R210 K211 S218 Y224R210-S214 VanDerWaalsContact O-CB 3.24Å; R210-S214 WeakPolarHBondContact O-CB 3.49Å; R210-S214 PolarHBondContact O-N 2.72Å; K211-S214 WeakPolarHBondContact O-CA 3.46Å; K211-S214 WeakPolarHBondContact O-CB 3.45Å; K211-S214 PolarHBondContact O-N 3Å; S214-S218 VanDerWaalsContact O-CB 3.28Å; S214-S218 WeakPolarHBondContact O-CB 3.44Å; S214-S218 PolarHBondContact O-N 2.78Å; S214-S218 VanDerWaalsContact O-N 3.08Å; S214-S218 PolarHBondContact O-OG 2.77Å; S214-Y224 VanDerWaalsContact CB-CD1 3.49Å; S214-Y224 WeakPolarHBondContact OG-CD1 3.24Å
215D92.3Very high91Very high66 Ų6650.4 Ų50.435%0.35326%0.264SS..Hα-helixtrans-66.1-45.1179-66.9-17.7000110.2K211 K219K211-D215 WeakPolarHBondContact CE-OD2 3.5Å; K211-D215 WeakPolarHBondContact O-CB 2.99Å; K211-D215 PolarHBondContact O-N 2.93Å; D215-K219 WeakPolarHBondContact O-CB 3.25Å; D215-K219 PolarHBondContact O-N 3.37Å
216L94.2Very high90.8Very high8 Ų852 Ų524%0.04228%0.282CS..Hα-helixtrans-62.2-46178.7-172.673.6000112.8E212 V213 H220 L262 V266 I967 L971E212-L216 WeakPolarHBondContact O-CB 3.22Å; E212-L216 PolarHBondContact O-N 2.68Å; V213-L216 PolarHBondContact O-N 3.42Å; L216-H220 PolarHBondContact O-N 3.49Å; L216-H220 PolarHBondContact O-ND1 3.02Å; L216-L262 HydrophobicContact CD2-CB 4.26Å; L216-V266 HydrophobicContact CD1-CG1 4.47Å; L216-V266 HydrophobicContact CD1-CG2 4.18Å; L216-V266 HydrophobicContact CG-CG2 4.33Å; L216-I967 HydrophobicContact CD1-CG2 4.43Å; L216-L971 HydrophobicContact CD2-CD1 4.07Å
217V95Very high90.6Very high0 Ų054.6 Ų54.60%030%0.296CS..Hα-helixtrans-67.2-46-179.4169.10000110.9I200 V213 K219 H220 G221 G222 L262I200-V217 HydrophobicContact CB-CG1 4.27Å; I200-V217 HydrophobicContact CB-CG2 4.37Å; I200-V217 HydrophobicContact CD1-CG1 4.04Å; I200-V217 HydrophobicContact CD1-CG2 3.95Å; I200-V217 HydrophobicContact CG1-CG1 4.17Å; I200-V217 HydrophobicContact CG2-CG2 4.5Å; V213-V217 HydrophobicContact CG1-CG2 4.06Å; V213-V217 WeakPolarHBondContact O-CB 3.42Å; V213-V217 VanDerWaalsContact O-CG2 3.25Å; V213-V217 WeakPolarHBondContact O-CG2 3.46Å; V213-V217 PolarHBondContact O-N 3.25Å; V217-K219 VanDerWaalsContact C-N 3.35Å; V217-K219 PolarHBondContact O-N 2.99Å; V217-H220 PolarHBondContact O-N 3.37Å; V217-G221 PolarHBondContact O-N 3.04Å; V217-G222 PolarHBondContact O-N 3.31Å; V217-L262 HydrophobicContact CG2-CD1 4.29Å; V217-L262 HydrophobicContact CG2-CD2 3.74Å
218S93.8Very high90.6Very high64 Ų6450.9 Ų50.945%0.44827%0.272SS..Hα-helixtrans-65.3-38.9-178.9-53.20000111.8S214 H220 G221 G222S214-S218 VanDerWaalsContact O-CB 3.28Å; S214-S218 WeakPolarHBondContact O-CB 3.44Å; S214-S218 PolarHBondContact O-N 2.78Å; S214-S218 VanDerWaalsContact O-N 3.08Å; S214-S218 PolarHBondContact O-OG 2.77Å; S218-H220 VanDerWaalsContact C-N 3.27Å; S218-H220 PolarHBondContact O-N 2.9Å; S218-G221 PolarHBondContact O-N 2.97Å; S218-G222 WeakPolarHBondContact CA-O 3.27Å
219K93.6Very high90.2Very high81 Ų8150.2 Ų50.235%0.35227%0.268SS..Hα-helixtrans-64-28.8178.7-166.7174.6-160.7-177.20113.5D215 V217 F964D215-K219 WeakPolarHBondContact O-CB 3.25Å; D215-K219 PolarHBondContact O-N 3.37Å; V217-K219 VanDerWaalsContact C-N 3.35Å; V217-K219 PolarHBondContact O-N 2.99Å; K219-F964 HydrophobicContact CD-CE1 3.78Å; K219-F964 HydrophobicContact CD-CZ 4.16Å; K219-F964 VanDerWaalsContact NZ-CE1 3.28Å
220H94.7Very high89.8Confident30 Ų3053.2 Ų53.214%0.13928%0.283CS..THydrogen-bonded Turntrans-104.524.1-179.9-57.599.6000113.5P193 I194 F195 L216 V217 S218 G222P193-H220 VanDerWaalsContact CB-O 3.32Å; P193-H220 WeakPolarHBondContact CB-O 3.4Å; I194-H220 HydrophobicContact CB-CB 4.1Å; I194-H220 HydrophobicContact CD1-CB 4.43Å; I194-H220 HydrophobicContact CG1-CB 4.36Å; I194-H220 PolarHBondContact N-O 3.36Å; F195-H220 HydrophobicContact CD2-CB 3.77Å; F195-H220 HydrophobicContact CE2-CB 4.07Å; F195-H220 PolarHBondContact N-O 2.71Å; L216-H220 PolarHBondContact O-N 3.49Å; L216-H220 PolarHBondContact O-ND1 3.02Å; V217-H220 PolarHBondContact O-N 3.37Å; S218-H220 VanDerWaalsContact C-N 3.27Å; S218-H220 PolarHBondContact O-N 2.9Å; H220-G222 PolarHBondContact O-N 2.86Å
221G92.3Very high89Confident38 Ų3849.1 Ų49.139%0.39228%0.277SS..THydrogen-bonded Turntrans80.511.216900000116V217 S218V217-G221 PolarHBondContact O-N 3.04Å; S218-G221 PolarHBondContact O-N 2.97Å
222G93.8Very high88.8Confident13 Ų1345.5 Ų45.513%0.13426%0.262CS..  trans-92.1172.9168.700000112.2F195 V217 S218 H220F195-G222 WeakPolarHBondContact O-CA 3.45Å; V217-G222 PolarHBondContact O-N 3.31Å; S218-G222 WeakPolarHBondContact CA-O 3.27Å; H220-G222 PolarHBondContact O-N 2.86Å
223K94.6Very high88.7Confident106 Ų10644.9 Ų44.946%0.46126%0.26SS..EExtended strand (participates in β ladder)trans-114.6116.4178-175.1-176.4-173.1-176.60110.6L198 V199 I200 E232L198-K223 PolarHBondContact O-N 2.88Å; V199-K223 CarbonylContact C-O 3.39Å; V199-K223 VanDerWaalsContact CA-O 3.28Å; V199-K223 WeakPolarHBondContact CA-O 3.35Å; V199-K223 HydrophobicContact CG1-CB 4.43Å; V199-K223 HydrophobicContact CG1-CD 4.29Å; V199-K223 HydrophobicContact CG1-CG 4.42Å; V199-K223 HydrophobicContact CG2-CB 4.17Å; V199-K223 HydrophobicContact CG2-CD 4.09Å; I200-K223 PolarHBondContact N-O 3.09Å; K223-E232 IonicContact NZ-OE1 3.35Å; K223-E232 PolarHBondContact NZ-OE1 2.85Å
224Y94.6Very high88.7Confident51 Ų5146.1 Ų46.120%0.227%0.268CS..EExtended strand (participates in β ladder)trans-75.2142.1169.8177.1-103.8000111.4V202 V213 S214V202-Y224 HydrophobicContact CB-CE2 4.45Å; V202-Y224 HydrophobicContact CG1-CE2 4.02Å; V202-Y224 HydrophobicContact CG2-CE2 3.58Å; V202-Y224 VanDerWaalsContact CG2-OH 3.27Å; V202-Y224 WeakPolarHBondContact CG2-OH 3.47Å; V213-Y224 HydrophobicContact CG1-CD2 4.45Å; S214-Y224 VanDerWaalsContact CB-CD1 3.49Å; S214-Y224 WeakPolarHBondContact OG-CD1 3.24Å
225S88.9Confident88.7Confident20 Ų2045 Ų4514%0.1426%0.259CS..EExtended strand (participates in β ladder)trans-138.6119.9168.9-173.70000112.2I200 C201 V227I200-S225 PolarHBondContact O-N 3.47Å; C201-S225 WeakPolarHBondContact CA-O 3.44Å; C201-S225 PolarHBondContact SG-O 3.35Å; S225-V227 VanDerWaalsContact C-N 3.26Å; S225-V227 WeakPolarHBondContact CB-O 3.47Å; S225-V227 PolarHBondContact O-N 3.41Å; S225-V227 PolarHBondContact OG-N 3.44Å; S225-V227 PolarHBondContact OG-O 3.2Å
226G80.6Confident88.8Confident42 Ų4241.9 Ų41.943%0.43324%0.242SC..SBendtrans-66.5-27.5172.700000113.5K245G226-K245 PolarHBondContact O-NZ 3.17Å
227V81.1Confident88.8Confident97 Ų9741.5 Ų41.559%0.58824%0.24SC*.SBendtrans-98.7133.6176.9-177.60000109.3S225 K229S225-V227 VanDerWaalsContact C-N 3.26Å; S225-V227 WeakPolarHBondContact CB-O 3.47Å; S225-V227 PolarHBondContact O-N 3.41Å; S225-V227 PolarHBondContact OG-N 3.44Å; S225-V227 PolarHBondContact OG-O 3.2Å; V227-K229 HydrophobicContact CG1-CG 4.42Å
228M82.6Confident88.6Confident24 Ų2441.6 Ų41.612%0.11824%0.241CC..  trans-84.6133.1171.9-171.9-178.6-77.900109.4T233 L236 K245 H248 A249 W252 I254M228-T233 HydrophobicContact CG-CG2 4.35Å; M228-L236 HydrophobicContact CE-CB 4.09Å; M228-L236 HydrophobicContact CE-CD1 3.67Å; M228-L236 HydrophobicContact CE-CD2 3.87Å; M228-L236 HydrophobicContact CE-CG 4.06Å; M228-K245 HydrophobicContact CE-CB 3.84Å; M228-K245 HydrophobicContact CE-CD 4.31Å; M228-K245 HydrophobicContact CE-CG 4.12Å; M228-K245 WeakPolarHBondContact CE-O 3.35Å; M228-H248 HydrophobicContact SD-CB 4.19Å; M228-A249 HydrophobicContact CE-CB 3.82Å; M228-A249 HydrophobicContact SD-CB 3.6Å; M228-A249 VanDerWaalsContact SD-CB 3.6Å; M228-W252 HydrophobicContact CG-CE3 4.08Å; M228-W252 HydrophobicContact CG-CZ3 3.84Å; M228-W252 HydrophobicContact SD-CE3 3.94Å; M228-W252 HydrophobicContact SD-CZ3 3.97Å; M228-I254 HydrophobicContact CG-CD1 4.28Å; M228-I254 HydrophobicContact SD-CD1 4.4Å
229K78.9Confident88.1Confident96 Ų9643.3 Ų43.342%0.41724%0.238SC..  trans-133.5131.9177.7-66.6175.2178.1-174.10109.9V227 E232 T233V227-K229 HydrophobicContact CG1-CG 4.42Å; K229-E232 HydrophobicContact CB-CB 4.1Å; K229-E232 HydrophobicContact CD-CB 4.2Å; K229-E232 WeakPolarHBondContact CD-OE2 3.35Å; K229-E232 WeakPolarHBondContact CE-OE2 3.48Å; K229-E232 IonicContact NZ-OE2 2.69Å; K229-E232 PolarHBondContact NZ-OE2 3Å; K229-T233 PolarHBondContact N-OG1 3.14Å; K229-T233 WeakPolarHBondContact O-CB 3.14Å; K229-T233 PolarHBondContact O-N 3.31Å; K229-T233 PolarHBondContact O-OG1 2.81Å
230I78.2Confident87.5Confident79 Ų7945.7 Ų45.741%0.40525%0.25SS..THydrogen-bonded Turntrans-52.4143.4163-164.2168.6000110.2E232 W252 F467I230-E232 PolarHBondContact O-N 2.98Å; I230-W252 HydrophobicContact CB-CD2 4.21Å; I230-W252 HydrophobicContact CB-CE3 4.4Å; I230-W252 HydrophobicContact CB-CZ2 4.43Å; I230-W252 HydrophobicContact CG1-CD2 4.48Å; I230-W252 HydrophobicContact CG1-CG 4.43Å; I230-F467 HydrophobicContact CD1-CD2 3.88Å; I230-F467 HydrophobicContact CG1-CD2 4.09Å
231G74.6Confident87.1Confident29 Ų2945.2 Ų45.230%0.29925%0.252SS..THydrogen-bonded Turntrans68.5-29.6178.700000117.4D464G231-D464 WeakPolarHBondContact CA-O 3.37Å
232E85.2Confident86.5Confident60 Ų6046 Ų4628%0.2825%0.251SS..THydrogen-bonded Turntrans-93.7-35.5175.2-168.6-179.7166.400112.6V199 K223 K229 I230V199-E232 WeakPolarHBondContact CB-O 3.32Å; V199-E232 HydrophobicContact CG2-CG 4.49Å; V199-E232 WeakPolarHBondContact CG2-O 3.46Å; K223-E232 IonicContact NZ-OE1 3.35Å; K223-E232 PolarHBondContact NZ-OE1 2.85Å; K229-E232 HydrophobicContact CB-CB 4.1Å; K229-E232 HydrophobicContact CD-CB 4.2Å; K229-E232 WeakPolarHBondContact CD-OE2 3.35Å; K229-E232 WeakPolarHBondContact CE-OE2 3.48Å; K229-E232 IonicContact NZ-OE2 2.69Å; K229-E232 PolarHBondContact NZ-OE2 3Å; I230-E232 PolarHBondContact O-N 2.98Å
233T88.7Confident85.8Confident10 Ų1047.6 Ų47.66%0.06127%0.268CS..  trans-87.3124.1-176-52.90000111.3C201 M228 K229 H235 I254C201-T233 HydrophobicContact CB-CG2 3.62Å; M228-T233 HydrophobicContact CG-CG2 4.35Å; K229-T233 PolarHBondContact N-OG1 3.14Å; K229-T233 WeakPolarHBondContact O-CB 3.14Å; K229-T233 PolarHBondContact O-N 3.31Å; K229-T233 PolarHBondContact O-OG1 2.81Å; T233-H235 WeakPolarHBondContact CG2-O 3.35Å; T233-I254 HydrophobicContact CG2-CD1 4.09Å; T233-I254 WeakPolarHBondContact O-CD1 3.17Å
234T92.1Very high85.3Confident26 Ų2647.9 Ų47.916%0.1628%0.279CS..  trans-93.8-34.1179.762.60000113.3V199 Q255V199-T234 PolarHBondContact N-OG1 3.38Å; V199-T234 PolarHBondContact O-N 3.24Å; V199-T234 PolarHBondContact O-OG1 3.41Å; T234-Q255 PolarHBondContact O-N 3.1Å; T234-Q255 VanDerWaalsContact O-N 3.15Å
235H94.2Very high84.9Confident5 Ų547.8 Ų47.82%0.02328%0.279CS..EExtended strand (participates in β ladder)trans-134.3139-170.4-7383.8000111.7V199 I200 C201 T233 Q255 I257 E274V199-H235 PolarHBondContact O-N 3.32Å; V199-H235 VanDerWaalsContact O-N 3.07Å; I200-H235 HydrophobicContact CB-CB 4.45Å; I200-H235 HydrophobicContact CG1-CB 4.16Å; I200-H235 HydrophobicContact CG2-CB 4.22Å; C201-H235 PolarHBondContact N-O 3Å; T233-H235 WeakPolarHBondContact CG2-O 3.35Å; H235-Q255 WeakPolarHBondContact CA-O 3.33Å; H235-I257 HydrophobicContact CB-CD1 4.36Å; H235-E274 WeakPolarHBondContact NE2-CG 3.21Å; H235-E274 IonicContact NE2-OE1 2.91Å
236L94Very high84.8Confident0 Ų047.6 Ų47.60%028%0.275CS..EExtended strand (participates in β ladder)trans-111.6109.8166170.658.9000109.1C201 M228 K245 A249 I254 Q255 I256 I257C201-L236 CarbonylContact O-C 3.02Å; C201-L236 WeakPolarHBondContact O-CA 3.09Å; M228-L236 HydrophobicContact CE-CB 4.09Å; M228-L236 HydrophobicContact CE-CD1 3.67Å; M228-L236 HydrophobicContact CE-CD2 3.87Å; M228-L236 HydrophobicContact CE-CG 4.06Å; L236-K245 HydrophobicContact CD1-CB 4.45Å; L236-K245 WeakPolarHBondContact CD2-O 3.37Å; L236-A249 HydrophobicContact CD2-CB 4.3Å; L236-I254 HydrophobicContact CB-CG2 3.99Å; L236-Q255 PolarHBondContact N-O 3.25Å; L236-I256 HydrophobicContact CD2-CD1 4.47Å; L236-I256 HydrophobicContact CD2-CG1 4.34Å; L236-I256 HydrophobicContact CD2-CG2 4.08Å; L236-I256 HydrophobicContact CG-CG2 4.29Å; L236-I256 WeakPolarHBondContact O-CA 3.27Å; L236-I257 PolarHBondContact O-N 3.07Å
237V93.4Very high85Confident0 Ų050 Ų500%028%0.282CS..EExtended strand (participates in β ladder)trans-86.6122.7169171.20000109.4I200 C201 V202 S203 I257 I259 L262I200-V237 HydrophobicContact CG2-CG2 3.74Å; C201-V237 PolarHBondContact O-N 2.94Å; V202-V237 CarbonylContact C-O 3.6Å; V202-V237 WeakPolarHBondContact CA-O 3.41Å; V202-V237 HydrophobicContact CG1-CB 4.14Å; V202-V237 HydrophobicContact CG1-CG1 4.43Å; S203-V237 PolarHBondContact N-O 3.29Å; V237-I257 WeakPolarHBondContact CA-O 3.34Å; V237-I257 HydrophobicContact CG2-CD1 3.78Å; V237-I257 HydrophobicContact CG2-CG1 3.91Å; V237-I259 HydrophobicContact CG1-CB 3.78Å; V237-I259 HydrophobicContact CG1-CG1 4.07Å; V237-L262 HydrophobicContact CG1-CD1 4.4Å; V237-L262 HydrophobicContact CG2-CD1 3.98Å; V237-L262 HydrophobicContact CG2-CG 4.29Å
238T90.2Very high85.3Confident2 Ų249.6 Ų49.61%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-145154.8178.1-1750000112.2Q240 I256 I257 V279T238-Q240 VanDerWaalsContact CG2-O 3.27Å; T238-Q240 WeakPolarHBondContact CG2-O 3.26Å; T238-Q240 PolarHBondContact OG1-N 3.25Å; T238-Q240 PolarHBondContact OG1-O 2.96Å; T238-I256 HydrophobicContact CG2-CG2 3.74Å; T238-I257 PolarHBondContact N-O 2.96Å; T238-I257 VanDerWaalsContact N-O 3.08Å; T238-V279 HydrophobicContact CG2-CB 4.17Å; T238-V279 HydrophobicContact CG2-CG1 4.17Å; T238-V279 HydrophobicContact CG2-CG2 4.01Å
239R84.5Confident85.5Confident100 Ų10048.5 Ų48.538%0.37727%0.268SS..SBendtrans-80.8-26.2171.3-83.3-171.4167.8112.8-4.3113.5L205 E209 M974L205-R239 HydrophobicContact CD2-CG 4.23Å; E209-R239 IonicContact OE1-CZ 3.63Å; E209-R239 VanDerWaalsContact OE1-CZ 3.23Å; E209-R239 IonicContact OE1-NH1 3.37Å; E209-R239 PolarHBondContact OE1-NH1 3.32Å; E209-R239 IonicContact OE1-NH2 2.72Å; E209-R239 PolarHBondContact OE1-NH2 2.95Å; E209-R239 IonicContact OE2-CZ 2.73Å; E209-R239 IonicContact OE2-NH1 2.78Å; E209-R239 PolarHBondContact OE2-NH1 2.82Å; E209-R239 IonicContact OE2-NH2 3.17Å; R239-M974 PolarHBondContact NH2-O 2.63Å
240Q81.3Confident85.9Confident131 Ų13149.5 Ų49.561%0.61227%0.272SS*.SBendtrans-144.3152.3-172.1-67-178-2.200110.6T238 S242T238-Q240 VanDerWaalsContact CG2-O 3.27Å; T238-Q240 WeakPolarHBondContact CG2-O 3.26Å; T238-Q240 PolarHBondContact OG1-N 3.25Å; T238-Q240 PolarHBondContact OG1-O 2.96Å; Q240-S242 WeakPolarHBondContact CB-OG 3.22Å; Q240-S242 PolarHBondContact O-N 3.31Å; Q240-S242 PolarHBondContact OE1-OG 2.96Å
241A85.1Confident86.1Confident21 Ų2151 Ų5117%0.17428%0.275CS..SBendtrans-7852.6176.700000112.6Y246 V279 D280 Q281A241-Y246 VanDerWaalsContact CA-CD2 3.46Å; A241-Y246 VanDerWaalsContact CA-CE2 3.48Å; A241-Y246 HydrophobicContact CB-CD2 4.07Å; A241-Y246 HydrophobicContact CB-CE1 4.14Å; A241-Y246 HydrophobicContact CB-CE2 3.53Å; A241-V279 HydrophobicContact CB-CG1 4.22Å; A241-D280 VanDerWaalsContact CB-O 3.28Å; A241-D280 WeakPolarHBondContact CB-O 3.4Å; A241-Q281 HydrophobicContact CB-CB 4.38Å; A241-Q281 HydrophobicContact CB-CG 3.81Å
242S80.1Confident86.7Confident54 Ų5452.5 Ų52.538%0.37827%0.272SS..  trans-144.9161.3-167.562.80000113.4Q240 Y246Q240-S242 WeakPolarHBondContact CB-OG 3.22Å; Q240-S242 PolarHBondContact O-N 3.31Å; Q240-S242 PolarHBondContact OE1-OG 2.96Å; S242-Y246 VanDerWaalsContact O-CB 3.28Å; S242-Y246 WeakPolarHBondContact O-CB 3.3Å
243G80.2Confident86.9Confident47 Ų4755.1 Ų55.149%0.48528%0.283SS..SBendtrans85.3164.517900000114.7K245 Y246 V247G243-K245 VanDerWaalsContact C-N 3.31Å; G243-K245 PolarHBondContact O-N 3.16Å; G243-Y246 WeakPolarHBondContact O-CB 3.41Å; G243-Y246 PolarHBondContact O-N 3.41Å; G243-V247 PolarHBondContact O-N 2.99Å
244T82.2Confident86.9Confident112 Ų11255.4 Ų55.469%0.68728%0.284SS*.Hα-helixtrans-56.4-41.4-174.151.70000113Y246 V247 H248T244-Y246 VanDerWaalsContact C-N 3.33Å; T244-Y246 PolarHBondContact O-N 3.47Å; T244-V247 PolarHBondContact O-N 2.92Å; T244-H248 PolarHBondContact O-N 2.67Å; T244-H248 PolarHBondContact O-ND1 2.66Å
245K86.6Confident86.9Confident49 Ų4956.7 Ų56.721%0.21329%0.288CS..Hα-helixtrans-60.5-36.3174.8-78-168177.8-166.60113.2C201 V202 G226 M228 L236 G243 A249C201-K245 PolarHBondContact SG-NZ 3.46Å; V202-K245 WeakPolarHBondContact O-CD 3.41Å; V202-K245 PolarHBondContact O-NZ 3.14Å; G226-K245 PolarHBondContact O-NZ 3.17Å; M228-K245 HydrophobicContact CE-CB 3.84Å; M228-K245 HydrophobicContact CE-CD 4.31Å; M228-K245 HydrophobicContact CE-CG 4.12Å; M228-K245 WeakPolarHBondContact CE-O 3.35Å; L236-K245 HydrophobicContact CD1-CB 4.45Å; L236-K245 WeakPolarHBondContact CD2-O 3.37Å; G243-K245 VanDerWaalsContact C-N 3.31Å; G243-K245 PolarHBondContact O-N 3.16Å; K245-A249 WeakPolarHBondContact O-CA 3.48Å; K245-A249 PolarHBondContact O-N 3.02Å
246Y88.3Confident86.8Confident15 Ų1557.4 Ų57.46%0.05929%0.292CS..Hα-helixtrans-69.3-42.9176.8175.2-89000111.7A241 S242 G243 T244 A249 K250 I256 Q281A241-Y246 VanDerWaalsContact CA-CD2 3.46Å; A241-Y246 VanDerWaalsContact CA-CE2 3.48Å; A241-Y246 HydrophobicContact CB-CD2 4.07Å; A241-Y246 HydrophobicContact CB-CE1 4.14Å; A241-Y246 HydrophobicContact CB-CE2 3.53Å; S242-Y246 VanDerWaalsContact O-CB 3.28Å; S242-Y246 WeakPolarHBondContact O-CB 3.3Å; G243-Y246 WeakPolarHBondContact O-CB 3.41Å; G243-Y246 PolarHBondContact O-N 3.41Å; T244-Y246 VanDerWaalsContact C-N 3.33Å; T244-Y246 PolarHBondContact O-N 3.47Å; Y246-A249 CarbonylContact O-C 3.42Å; Y246-A249 VanDerWaalsContact O-CA 3.31Å; Y246-A249 WeakPolarHBondContact O-CA 3.14Å; Y246-A249 PolarHBondContact O-N 2.83Å; Y246-A249 VanDerWaalsContact O-N 3.16Å; Y246-K250 HydrophobicContact CE1-CD 4.37Å; Y246-K250 PolarHBondContact O-N 3.14Å; Y246-I256 HydrophobicContact CD2-CD1 3.71Å; Y246-I256 HydrophobicContact CD2-CG2 3.79Å; Y246-I256 HydrophobicContact CE2-CD1 3.54Å; Y246-I256 HydrophobicContact CE2-CG2 3.83Å; Y246-I256 HydrophobicContact CG-CD1 4.46Å; Y246-Q281 HydrophobicContact CE1-CG 4.17Å; Y246-Q281 WeakPolarHBondContact OH-CG 3.42Å
247V84.7Confident86.8Confident93 Ų9357.4 Ų57.456%0.56429%0.292SS*.Hα-helixtrans-63.8-45.5179.4179.70000111G243 T244 A249 K250 K251G243-V247 PolarHBondContact O-N 2.99Å; T244-V247 PolarHBondContact O-N 2.92Å; V247-A249 VanDerWaalsContact C-N 3.34Å; V247-K250 PolarHBondContact O-N 3.1Å; V247-K251 PolarHBondContact O-N 2.9Å
248H85.9Confident86.7Confident89 Ų8959 Ų5941%0.41230%0.302SS..Hα-helixtrans-64.9-40.2171.8-69.278.5000111.1M228 T244 K250 K251 W252M228-H248 HydrophobicContact SD-CB 4.19Å; T244-H248 PolarHBondContact O-N 2.67Å; T244-H248 PolarHBondContact O-ND1 2.66Å; H248-K250 VanDerWaalsContact C-N 3.33Å; H248-K250 PolarHBondContact O-N 2.8Å; H248-K251 CarbonylContact O-C 3.5Å; H248-K251 PolarHBondContact O-N 3.23Å; H248-W252 HydrophobicContact CB-CD2 4.25Å; H248-W252 HydrophobicContact CB-CE3 4.06Å; H248-W252 HydrophobicContact CB-CH2 4.37Å; H248-W252 HydrophobicContact CB-CZ3 4.12Å; H248-W252 AromaticContact CD2-CH2 3.99Å; H248-W252 AromaticContact CD2-CZ2 3.78Å; H248-W252 WeakPolarHBondContact O-CB 3.32Å; H248-W252 VanDerWaalsContact O-CG 3.25Å; H248-W252 PolarHBondContact O-N 2.92Å
249A87.5Confident86.8Confident0 Ų059.3 Ų59.30%030%0.304CS..Hα-helixtrans-41.9-57.4168.300000112.9M228 L236 K245 Y246 V247 W252 K253 I254M228-A249 HydrophobicContact CE-CB 3.82Å; M228-A249 HydrophobicContact SD-CB 3.6Å; M228-A249 VanDerWaalsContact SD-CB 3.6Å; L236-A249 HydrophobicContact CD2-CB 4.3Å; K245-A249 WeakPolarHBondContact O-CA 3.48Å; K245-A249 PolarHBondContact O-N 3.02Å; Y246-A249 CarbonylContact O-C 3.42Å; Y246-A249 VanDerWaalsContact O-CA 3.31Å; Y246-A249 WeakPolarHBondContact O-CA 3.14Å; Y246-A249 PolarHBondContact O-N 2.83Å; Y246-A249 VanDerWaalsContact O-N 3.16Å; V247-A249 VanDerWaalsContact C-N 3.34Å; A249-W252 HydrophobicContact CB-CB 4.5Å; A249-W252 CarbonylContact O-C 3.54Å; A249-W252 PolarHBondContact O-N 3.04Å; A249-K253 PolarHBondContact O-N 3.27Å; A249-I254 HydrophobicContact CB-CB 4.12Å; A249-I254 HydrophobicContact CB-CD1 3.56Å; A249-I254 HydrophobicContact CB-CG1 3.53Å; A249-I254 HydrophobicContact CB-CG2 3.78Å; A249-I254 PolarHBondContact O-N 3Å
250K87Confident87.1Confident117 Ų11759.5 Ų59.551%0.50931%0.308SS..Hα-helixtrans-70.7-41.7-177.5-166.3175.2-176.9179.50112Y246 V247 H248 W252 K253 I256 Q281Y246-K250 HydrophobicContact CE1-CD 4.37Å; Y246-K250 PolarHBondContact O-N 3.14Å; V247-K250 PolarHBondContact O-N 3.1Å; H248-K250 VanDerWaalsContact C-N 3.33Å; H248-K250 PolarHBondContact O-N 2.8Å; K250-W252 PolarHBondContact O-N 3.15Å; K250-K253 PolarHBondContact O-N 2.9Å; K250-I256 HydrophobicContact CB-CD1 4.24Å; K250-Q281 VanDerWaalsContact NZ-OE1 3.11Å
251K83.6Confident87.8Confident110 Ų11053.2 Ų53.248%0.47828%0.278SS..Hα-helixtrans-65.5-21.9173-174.1162.6-174170.60112.6V247 H248 F467 E470V247-K251 PolarHBondContact O-N 2.9Å; H248-K251 CarbonylContact O-C 3.5Å; H248-K251 PolarHBondContact O-N 3.23Å; K251-F467 WeakPolarHBondContact O-CD1 3.35Å; K251-F467 VanDerWaalsContact O-CE1 3.3Å; K251-F467 WeakPolarHBondContact O-CE1 3.31Å; K251-E470 IonicContact NZ-OE1 3.8Å; K251-E470 PolarHBondContact NZ-OE1 3.1Å
252W86.8Confident88.2Confident62 Ų6252.3 Ų52.324%0.23527%0.27CS..THydrogen-bonded Turntrans-10916.5-179.7-61.4-20.3000114M228 I230 H248 A249 K250 I254 F467M228-W252 HydrophobicContact CG-CE3 4.08Å; M228-W252 HydrophobicContact CG-CZ3 3.84Å; M228-W252 HydrophobicContact SD-CE3 3.94Å; M228-W252 HydrophobicContact SD-CZ3 3.97Å; I230-W252 HydrophobicContact CB-CD2 4.21Å; I230-W252 HydrophobicContact CB-CE3 4.4Å; I230-W252 HydrophobicContact CB-CZ2 4.43Å; I230-W252 HydrophobicContact CG1-CD2 4.48Å; I230-W252 HydrophobicContact CG1-CG 4.43Å; H248-W252 HydrophobicContact CB-CD2 4.25Å; H248-W252 HydrophobicContact CB-CE3 4.06Å; H248-W252 HydrophobicContact CB-CH2 4.37Å; H248-W252 HydrophobicContact CB-CZ3 4.12Å; H248-W252 AromaticContact CD2-CH2 3.99Å; H248-W252 AromaticContact CD2-CZ2 3.78Å; H248-W252 WeakPolarHBondContact O-CB 3.32Å; H248-W252 VanDerWaalsContact O-CG 3.25Å; H248-W252 PolarHBondContact O-N 2.92Å; A249-W252 HydrophobicContact CB-CB 4.5Å; A249-W252 CarbonylContact O-C 3.54Å; A249-W252 PolarHBondContact O-N 3.04Å; K250-W252 PolarHBondContact O-N 3.15Å; W252-I254 HydrophobicContact CB-CD1 4.09Å; W252-I254 HydrophobicContact CB-CG1 3.86Å; W252-I254 HydrophobicContact CE3-CD1 4.29Å; W252-I254 WeakPolarHBondContact O-CG1 3.42Å; W252-I254 PolarHBondContact O-N 3.32Å; W252-F467 VanDerWaalsContact CA-CE1 3.44Å; W252-F467 HydrophobicContact CB-CD2 4.46Å; W252-F467 HydrophobicContact CB-CE2 4.08Å; W252-F467 HydrophobicContact CB-CZ 4.29Å; W252-F467 VanDerWaalsContact O-CE2 3.28Å; W252-F467 WeakPolarHBondContact O-CE2 3.26Å; W252-F467 WeakPolarHBondContact O-CZ 3.38Å
253K87.8Confident88.8Confident115 Ų11550.3 Ų50.350%0.526%0.255SS..THydrogen-bonded Turntrans37.730.7176.3-65170.2177.3165.90115.6A249 K250 F467 Q468 D469A249-K253 PolarHBondContact O-N 3.27Å; K250-K253 PolarHBondContact O-N 2.9Å; K253-F467 HydrophobicContact CB-CE1 3.74Å; K253-F467 HydrophobicContact CB-CZ 3.77Å; K253-F467 HydrophobicContact CD-CE1 3.87Å; K253-F467 HydrophobicContact CG-CE1 3.74Å; K253-F467 HydrophobicContact CG-CZ 4.3Å; K253-Q468 WeakPolarHBondContact CE-O 3.44Å; K253-Q468 PolarHBondContact NZ-O 3.28Å; K253-D469 WeakPolarHBondContact CE-OD2 3.17Å; K253-D469 IonicContact NZ-OD1 3.72Å; K253-D469 PolarHBondContact NZ-OD1 2.86Å; K253-D469 IonicContact NZ-OD2 2.72Å; K253-D469 PolarHBondContact NZ-OD2 3.37Å
254I89.5Confident89.5Confident15 Ų1550.6 Ų50.68%0.07725%0.246CC..  trans-81.3142.6173.4-11.8176.1000106.8M228 T233 L236 A249 W252 I256M228-I254 HydrophobicContact CG-CD1 4.28Å; M228-I254 HydrophobicContact SD-CD1 4.4Å; T233-I254 HydrophobicContact CG2-CD1 4.09Å; T233-I254 WeakPolarHBondContact O-CD1 3.17Å; L236-I254 HydrophobicContact CB-CG2 3.99Å; A249-I254 HydrophobicContact CB-CB 4.12Å; A249-I254 HydrophobicContact CB-CD1 3.56Å; A249-I254 HydrophobicContact CB-CG1 3.53Å; A249-I254 HydrophobicContact CB-CG2 3.78Å; A249-I254 PolarHBondContact O-N 3Å; W252-I254 HydrophobicContact CB-CD1 4.09Å; W252-I254 HydrophobicContact CB-CG1 3.86Å; W252-I254 HydrophobicContact CE3-CD1 4.29Å; W252-I254 WeakPolarHBondContact O-CG1 3.42Å; W252-I254 PolarHBondContact O-N 3.32Å; I254-I256 WeakPolarHBondContact O-CG1 3.17Å; I254-I256 PolarHBondContact O-N 3.14Å; I254-I256 VanDerWaalsContact O-N 3.07Å
255Q91.4Very high90.1Very high53 Ų5345.2 Ų45.225%0.24821%0.213CC..EExtended strand (participates in β ladder)trans-61115.8-174.4-65.6-7542.700110.4T234 H235 L236 I257 E274T234-Q255 PolarHBondContact O-N 3.1Å; T234-Q255 VanDerWaalsContact O-N 3.15Å; H235-Q255 WeakPolarHBondContact CA-O 3.33Å; L236-Q255 PolarHBondContact N-O 3.25Å; Q255-I257 HydrophobicContact CB-CG2 4.49Å; Q255-E274 HydrophobicContact CB-CB 4.39Å; Q255-E274 HydrophobicContact CB-CG 4.25Å; Q255-E274 HydrophobicContact CG-CB 4.23Å; Q255-E274 HydrophobicContact CG-CG 4.06Å; Q255-E274 PolarHBondContact NE2-OE2 3.07Å
256I93.1Very high90.5Very high21 Ų2143.9 Ų43.911%0.10821%0.209CC..EExtended strand (participates in β ladder)trans-95.5100.8179.7-48.1-175.9000109.1L236 T238 Y246 K250 I254 R278 V279L236-I256 HydrophobicContact CD2-CD1 4.47Å; L236-I256 HydrophobicContact CD2-CG1 4.34Å; L236-I256 HydrophobicContact CD2-CG2 4.08Å; L236-I256 HydrophobicContact CG-CG2 4.29Å; L236-I256 WeakPolarHBondContact O-CA 3.27Å; T238-I256 HydrophobicContact CG2-CG2 3.74Å; Y246-I256 HydrophobicContact CD2-CD1 3.71Å; Y246-I256 HydrophobicContact CD2-CG2 3.79Å; Y246-I256 HydrophobicContact CE2-CD1 3.54Å; Y246-I256 HydrophobicContact CE2-CG2 3.83Å; Y246-I256 HydrophobicContact CG-CD1 4.46Å; K250-I256 HydrophobicContact CB-CD1 4.24Å; I254-I256 WeakPolarHBondContact O-CG1 3.17Å; I254-I256 PolarHBondContact O-N 3.14Å; I254-I256 VanDerWaalsContact O-N 3.07Å; I256-R278 WeakPolarHBondContact O-CA 3.38Å; I256-V279 HydrophobicContact CG2-CB 4.18Å; I256-V279 PolarHBondContact O-N 3.31Å
257I93.5Very high90.7Very high0 Ų048.4 Ų48.40%023%0.234CC..EExtended strand (participates in β ladder)trans-119.2153-169.548.6160.3000112.3H235 L236 V237 T238 Q255 W261 E274 Y277H235-I257 HydrophobicContact CB-CD1 4.36Å; L236-I257 PolarHBondContact O-N 3.07Å; V237-I257 WeakPolarHBondContact CA-O 3.34Å; V237-I257 HydrophobicContact CG2-CD1 3.78Å; V237-I257 HydrophobicContact CG2-CG1 3.91Å; T238-I257 PolarHBondContact N-O 2.96Å; T238-I257 VanDerWaalsContact N-O 3.08Å; Q255-I257 HydrophobicContact CB-CG2 4.49Å; I257-W261 HydrophobicContact CB-CB 4.39Å; I257-W261 HydrophobicContact CD1-CB 4.04Å; I257-W261 HydrophobicContact CD1-CD2 3.55Å; I257-W261 HydrophobicContact CD1-CE3 3.36Å; I257-W261 HydrophobicContact CD1-CG 3.87Å; I257-W261 HydrophobicContact CD1-CZ3 4.02Å; I257-E274 HydrophobicContact CG2-CB 3.96Å; I257-E274 HydrophobicContact CG2-CG 4.33Å; I257-Y277 CarbonylContact C-O 3.56Å; I257-Y277 WeakPolarHBondContact CA-O 3.49Å
258S92.5Very high91.1Very high32 Ų3250.5 Ų50.522%0.22424%0.236CC..  trans-76.6153.7172.571.60000110.8K260 W261 Y277S258-K260 PolarHBondContact O-N 3.4Å; S258-W261 WeakPolarHBondContact O-CB 3.16Å; S258-W261 PolarHBondContact O-N 3.2Å; S258-W261 VanDerWaalsContact O-N 3.11Å; S258-Y277 PolarHBondContact N-O 2.99Å; S258-Y277 PolarHBondContact OG-O 3.17Å
259I91Very high91.4Very high10 Ų1047.3 Ų47.35%0.05123%0.227CC..THydrogen-bonded Turntrans-60.6-19-179.8-168.3166.4000113.8L205 V213 V237 W261 L262 L971 I975L205-I259 HydrophobicContact CD1-CD1 3.95Å; L205-I259 HydrophobicContact CD2-CD1 4.11Å; V213-I259 HydrophobicContact CG2-CD1 3.83Å; V213-I259 HydrophobicContact CG2-CG1 4.41Å; V237-I259 HydrophobicContact CG1-CB 3.78Å; V237-I259 HydrophobicContact CG1-CG1 4.07Å; I259-W261 VanDerWaalsContact C-N 3.28Å; I259-W261 PolarHBondContact O-N 3.41Å; I259-L262 PolarHBondContact O-N 2.64Å; I259-L971 HydrophobicContact CD1-CD2 3.77Å; I259-L971 HydrophobicContact CG1-CD2 4.49Å; I259-I975 HydrophobicContact CG2-CD1 3.81Å; I259-I975 HydrophobicContact CG2-CG1 3.83Å
260K91.4Very high91.7Very high103 Ų10349.6 Ų49.645%0.44824%0.236SC..Hα-helixtrans-59.1-36.8173.5-71.1-173.3174.1-1740112.8S258 L262 I263 D264 Y277 I975S258-K260 PolarHBondContact O-N 3.4Å; K260-L262 PolarHBondContact O-N 3.23Å; K260-L262 VanDerWaalsContact O-N 3.15Å; K260-I263 PolarHBondContact O-N 2.89Å; K260-D264 WeakPolarHBondContact O-CB 3.31Å; K260-D264 VanDerWaalsContact O-CG 3.3Å; K260-D264 PolarHBondContact O-N 2.93Å; K260-Y277 HydrophobicContact CB-CD1 3.91Å; K260-Y277 HydrophobicContact CB-CE1 3.8Å; K260-I975 HydrophobicContact CG-CD1 3.92Å
261W94.9Very high92Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-55-37.7-179-179.488.9000112.4F195 L198 I200 I257 S258 I259 S265 A271 L272 D273 E274 Y277F195-W261 AromaticContact CD1-CH2 3.72Å; F195-W261 HydrophobicContact CD1-CH2 3.72Å; F195-W261 AromaticContact CD1-CZ3 3.76Å; F195-W261 HydrophobicContact CD1-CZ3 3.76Å; F195-W261 HydrophobicContact CE1-CE3 4.23Å; F195-W261 AromaticContact CE1-CH2 3.72Å; F195-W261 HydrophobicContact CE1-CH2 3.72Å; F195-W261 AromaticContact CE1-CZ3 3.45Å; F195-W261 HydrophobicContact CE1-CZ3 3.45Å; F195-W261 VanDerWaalsContact CE1-CZ3 3.45Å; F195-W261 HydrophobicContact CZ-CZ3 4.36Å; L198-W261 HydrophobicContact CD1-CH2 3.56Å; L198-W261 HydrophobicContact CD1-CZ2 4.38Å; L198-W261 HydrophobicContact CD1-CZ3 4.44Å; I200-W261 HydrophobicContact CD1-CZ3 4.1Å; I257-W261 HydrophobicContact CB-CB 4.39Å; I257-W261 HydrophobicContact CD1-CB 4.04Å; I257-W261 HydrophobicContact CD1-CD2 3.55Å; I257-W261 HydrophobicContact CD1-CE3 3.36Å; I257-W261 HydrophobicContact CD1-CG 3.87Å; I257-W261 HydrophobicContact CD1-CZ3 4.02Å; S258-W261 WeakPolarHBondContact O-CB 3.16Å; S258-W261 PolarHBondContact O-N 3.2Å; S258-W261 VanDerWaalsContact O-N 3.11Å; I259-W261 VanDerWaalsContact C-N 3.28Å; I259-W261 PolarHBondContact O-N 3.41Å; W261-S265 WeakPolarHBondContact O-CB 3.28Å; W261-S265 PolarHBondContact O-N 3.12Å; W261-S265 PolarHBondContact O-OG 3.08Å; W261-A271 HydrophobicContact CH2-CB 4.28Å; W261-A271 HydrophobicContact CZ2-CB 3.96Å; W261-L272 PolarHBondContact NE1-O 3.22Å; W261-D273 PolarHBondContact NE1-O 3.13Å; W261-E274 HydrophobicContact CZ2-CG 4.33Å; W261-Y277 HydrophobicContact CB-CD1 3.74Å; W261-Y277 HydrophobicContact CB-CD2 4.28Å; W261-Y277 HydrophobicContact CB-CE1 4.39Å; W261-Y277 HydrophobicContact CB-CG 3.66Å; W261-Y277 AromaticContact CD1-CD2 3.6Å; W261-Y277 AromaticContact CD1-CG 3.82Å; W261-Y277 HydrophobicContact CG-CD2 4.35Å; W261-Y277 HydrophobicContact CG-CG 4.16Å
262L93.7Very high92.5Very high1 Ų139.9 Ų39.91%0.00520%0.195CC..Hα-helixtrans-66.8-41.9176-73.9173.9000112.7F195 I200 V213 L216 V217 V237 I259 K260 V266F195-L262 HydrophobicContact CE1-CD2 4Å; F195-L262 HydrophobicContact CE2-CD2 3.89Å; F195-L262 HydrophobicContact CZ-CD2 3.59Å; I200-L262 HydrophobicContact CD1-CD2 3.81Å; V213-L262 HydrophobicContact CG1-CD1 3.65Å; V213-L262 HydrophobicContact CG2-CD1 4.21Å; L216-L262 HydrophobicContact CD2-CB 4.26Å; V217-L262 HydrophobicContact CG2-CD1 4.29Å; V217-L262 HydrophobicContact CG2-CD2 3.74Å; V237-L262 HydrophobicContact CG1-CD1 4.4Å; V237-L262 HydrophobicContact CG2-CD1 3.98Å; V237-L262 HydrophobicContact CG2-CG 4.29Å; I259-L262 PolarHBondContact O-N 2.64Å; K260-L262 PolarHBondContact O-N 3.23Å; K260-L262 VanDerWaalsContact O-N 3.15Å; L262-V266 VanDerWaalsContact O-CG2 3.27Å; L262-V266 WeakPolarHBondContact O-CG2 3.3Å; L262-V266 PolarHBondContact O-N 2.89Å
263I92.8Very high92.8Very high12 Ų1239.5 Ų39.56%0.06220%0.197CC..Hα-helixtrans-71.5-54.3-176.7-52.9169.9000108.7K260 S265 V266 D267 N968 L971 I975K260-I263 PolarHBondContact O-N 2.89Å; I263-S265 VanDerWaalsContact C-N 3.3Å; I263-S265 PolarHBondContact O-N 3.13Å; I263-V266 PolarHBondContact O-N 2.75Å; I263-D267 PolarHBondContact O-N 2.86Å; I263-N968 HydrophobicContact CG2-CB 4.27Å; I263-L971 HydrophobicContact CD1-CB 3.8Å; I263-L971 HydrophobicContact CG1-CB 4.29Å; I263-I975 HydrophobicContact CD1-CD1 3.68Å
264D94.4Very high93Very high53 Ų5335 Ų3528%0.28318%0.178SC..Hα-helixtrans-62.8-36.1-176.5-59.911.8000111.2K260 K268 L272 Y277K260-D264 WeakPolarHBondContact O-CB 3.31Å; K260-D264 VanDerWaalsContact O-CG 3.3Å; K260-D264 PolarHBondContact O-N 2.93Å; D264-K268 VanDerWaalsContact O-CB 3.27Å; D264-K268 WeakPolarHBondContact O-CB 3.43Å; D264-K268 WeakPolarHBondContact O-CG 3.42Å; D264-K268 PolarHBondContact O-N 3.29Å; D264-L272 HydrophobicContact CB-CD1 3.6Å; D264-Y277 HydrophobicContact CB-CE1 4.27Å; D264-Y277 VanDerWaalsContact CB-OH 3.3Å; D264-Y277 WeakPolarHBondContact CB-OH 3.44Å; D264-Y277 VanDerWaalsContact OD2-CE1 3.23Å; D264-Y277 WeakPolarHBondContact OD2-CE1 3.4Å; D264-Y277 PolarHBondContact OD2-OH 3.26Å
265S95.5Very high92.9Very high0 Ų037.5 Ų37.50%019%0.189CC..Hα-helixtrans-67.5-35.8173.2-64.30000113.4W261 I263 G269 Y270 L272W261-S265 WeakPolarHBondContact O-CB 3.28Å; W261-S265 PolarHBondContact O-N 3.12Å; W261-S265 PolarHBondContact O-OG 3.08Å; I263-S265 VanDerWaalsContact C-N 3.3Å; I263-S265 PolarHBondContact O-N 3.13Å; S265-G269 PolarHBondContact O-N 3.49Å; S265-Y270 CarbonylContact C-O 3.43Å; S265-Y270 VanDerWaalsContact CA-O 3.3Å; S265-Y270 WeakPolarHBondContact CA-O 3.43Å; S265-Y270 WeakPolarHBondContact CB-O 3.26Å; S265-Y270 PolarHBondContact O-N 3.29Å; S265-L272 PolarHBondContact OG-N 3.27Å
266V94.4Very high92.6Very high21 Ų2141.7 Ų41.713%0.12721%0.213CC..Hα-helixtrans-70.2-46175.21670000110.3I194 F195 L216 L262 I263 K268 G269I194-V266 HydrophobicContact CD1-CG2 4.35Å; F195-V266 HydrophobicContact CE2-CG2 3.87Å; F195-V266 HydrophobicContact CZ-CG2 3.84Å; L216-V266 HydrophobicContact CD1-CG1 4.47Å; L216-V266 HydrophobicContact CD1-CG2 4.18Å; L216-V266 HydrophobicContact CG-CG2 4.33Å; L262-V266 VanDerWaalsContact O-CG2 3.27Å; L262-V266 WeakPolarHBondContact O-CG2 3.3Å; L262-V266 PolarHBondContact O-N 2.89Å; I263-V266 PolarHBondContact O-N 2.75Å; V266-K268 PolarHBondContact O-N 3.34Å; V266-G269 PolarHBondContact O-N 3.24Å; V266-G269 VanDerWaalsContact O-N 3.09Å
267D93.1Very high92.5Very high110 Ų11042.5 Ų42.559%0.58822%0.215SC*.Hα-helixtrans-65.5-26.1178-71.2-14.3000112.5I263 N968I263-D267 PolarHBondContact O-N 2.86Å; D267-N968 PolarHBondContact OD1-ND2 2.84Å
268K92.2Very high92.3Very high136 Ų13648.2 Ų48.259%0.59124%0.237SC*.Hα-helixtrans-86.6-17.2172-70.1-70.4-172.4-175.90114.5D264 V266 Y270 L272D264-K268 VanDerWaalsContact O-CB 3.27Å; D264-K268 WeakPolarHBondContact O-CB 3.43Å; D264-K268 WeakPolarHBondContact O-CG 3.42Å; D264-K268 PolarHBondContact O-N 3.29Å; V266-K268 PolarHBondContact O-N 3.34Å; K268-Y270 HydrophobicContact CB-CD1 4.16Å; K268-Y270 HydrophobicContact CB-CE1 4.04Å; K268-Y270 VanDerWaalsContact O-CD1 3.31Å; K268-Y270 WeakPolarHBondContact O-CD1 3.45Å; K268-L272 HydrophobicContact CB-CD2 4.44Å; K268-L272 HydrophobicContact CG-CD1 4.27Å; K268-L272 HydrophobicContact CG-CD2 4.19Å
269G92.4Very high91.9Very high22 Ų2247.7 Ų47.723%0.22723%0.232CC..THydrogen-bonded Turntrans74.817.4-17900000115.5R191 S265 V266R191-G269 PolarHBondContact NH2-O 3.23Å; S265-G269 PolarHBondContact O-N 3.49Å; V266-G269 PolarHBondContact O-N 3.24Å; V266-G269 VanDerWaalsContact O-N 3.09Å
270Y93.9Very high91Very high49 Ų4953.8 Ų53.819%0.19227%0.265CS..SBendtrans-159.7154.6174.265.9-90.8000110.8A154 S265 K268 L272A154-Y270 HydrophobicContact CB-CD1 3.96Å; A154-Y270 HydrophobicContact CB-CD2 3.38Å; A154-Y270 HydrophobicContact CB-CE1 4.22Å; A154-Y270 HydrophobicContact CB-CE2 3.68Å; A154-Y270 HydrophobicContact CB-CG 3.53Å; S265-Y270 CarbonylContact C-O 3.43Å; S265-Y270 VanDerWaalsContact CA-O 3.3Å; S265-Y270 WeakPolarHBondContact CA-O 3.43Å; S265-Y270 WeakPolarHBondContact CB-O 3.26Å; S265-Y270 PolarHBondContact O-N 3.29Å; K268-Y270 HydrophobicContact CB-CD1 4.16Å; K268-Y270 HydrophobicContact CB-CE1 4.04Å; K268-Y270 VanDerWaalsContact O-CD1 3.31Å; K268-Y270 WeakPolarHBondContact O-CD1 3.45Å; Y270-L272 HydrophobicContact CD2-CD2 4.46Å; Y270-L272 HydrophobicContact CE2-CD2 3.79Å; Y270-L272 PolarHBondContact O-N 3.23Å
271A94.4Very high89.7Confident0 Ų053.9 Ų53.90%027%0.267CS..PPolyproline II helixtrans-66.3122.5177.200000110.8V145 Y150 L151 I194 W261V145-A271 HydrophobicContact CB-CB 4.13Å; V145-A271 HydrophobicContact CG2-CB 3.9Å; Y150-A271 HydrophobicContact CE1-CB 4.04Å; Y150-A271 WeakPolarHBondContact CE1-O 3.44Å; Y150-A271 PolarHBondContact OH-N 3.48Å; L151-A271 VanDerWaalsContact CD2-O 3.28Å; L151-A271 WeakPolarHBondContact CD2-O 3.31Å; I194-A271 WeakPolarHBondContact O-CB 3.42Å; W261-A271 HydrophobicContact CH2-CB 4.28Å; W261-A271 HydrophobicContact CZ2-CB 3.96Å
272L94.2Very high87.7Confident23 Ų2358.5 Ų58.512%0.1231%0.305CS..PPolyproline II helixtrans-74.5166175-67.1172.7000111.4W261 D264 S265 K268 Y270 Y277W261-L272 PolarHBondContact NE1-O 3.22Å; D264-L272 HydrophobicContact CB-CD1 3.6Å; S265-L272 PolarHBondContact OG-N 3.27Å; K268-L272 HydrophobicContact CB-CD2 4.44Å; K268-L272 HydrophobicContact CG-CD1 4.27Å; K268-L272 HydrophobicContact CG-CD2 4.19Å; Y270-L272 HydrophobicContact CD2-CD2 4.46Å; Y270-L272 HydrophobicContact CE2-CD2 3.79Å; Y270-L272 PolarHBondContact O-N 3.23Å; L272-Y277 HydrophobicContact CB-CE2 4.22Å; L272-Y277 HydrophobicContact CD1-CE2 4.11Å; L272-Y277 WeakPolarHBondContact CD1-OH 3.23Å
273D92.7Very high85.2Confident54 Ų5467.2 Ų67.229%0.28934%0.343SS..PPolyproline II helixtrans-60.2139.4172.7-158.5-48.3000109.9L151 W261 E275 Y277L151-D273 HydrophobicContact CD1-CB 4Å; L151-D273 WeakPolarHBondContact CD1-OD2 3.42Å; L151-D273 HydrophobicContact CD2-CB 4.44Å; W261-D273 PolarHBondContact NE1-O 3.13Å; D273-E275 VanDerWaalsContact C-N 3.33Å; D273-E275 WeakPolarHBondContact OD1-CG 3.36Å; D273-E275 PolarHBondContact OD1-N 3.42Å; D273-Y277 WeakPolarHBondContact O-CD2 3.41Å
274E91.6Very high82.4Confident19 Ų1973.2 Ų73.29%0.08938%0.38CS..SBendtrans-76.9-21.5179.6-62.9103.9-151.900112.5H235 Q255 I257 W261 Y277 R278H235-E274 WeakPolarHBondContact NE2-CG 3.21Å; H235-E274 IonicContact NE2-OE1 2.91Å; Q255-E274 HydrophobicContact CB-CB 4.39Å; Q255-E274 HydrophobicContact CB-CG 4.25Å; Q255-E274 HydrophobicContact CG-CB 4.23Å; Q255-E274 HydrophobicContact CG-CG 4.06Å; Q255-E274 PolarHBondContact NE2-OE2 3.07Å; I257-E274 HydrophobicContact CG2-CB 3.96Å; I257-E274 HydrophobicContact CG2-CG 4.33Å; W261-E274 HydrophobicContact CZ2-CG 4.33Å; E274-Y277 PolarHBondContact O-N 3.42Å; E274-R278 PolarHBondContact O-N 2.7Å
275E87.2Confident79.4Confident68 Ų6879.8 Ų79.832%0.31841%0.406SS..G310 helixtrans-63.1-45-174.6-61.2-137.3126.500112.6D273 Y277 R278D273-E275 VanDerWaalsContact C-N 3.33Å; D273-E275 WeakPolarHBondContact OD1-CG 3.36Å; D273-E275 PolarHBondContact OD1-N 3.42Å; E275-Y277 PolarHBondContact O-N 3.07Å; E275-R278 PolarHBondContact O-N 2.9Å; E275-R278 IonicContact OE1-CZ 3.19Å; E275-R278 IonicContact OE1-NH1 2.8Å; E275-R278 PolarHBondContact OE1-NH1 2.88Å; E275-R278 IonicContact OE1-NH2 2.68Å; E275-R278 PolarHBondContact OE1-NH2 2.98Å
276D85Confident76.3Confident142 Ų14284.1 Ų84.176%0.75944%0.436SS*.G310 helixtrans-62.2-14.5179.6-75.8-34000113.7
277Y92.3Very high73.2Confident37 Ų3788.7 Ų88.715%0.14547%0.469CS..G310 helixtrans-117.45.9-171.6-67.6-92.7000114.1I257 S258 K260 W261 D264 L272 D273 E274 E275I257-Y277 CarbonylContact C-O 3.56Å; I257-Y277 WeakPolarHBondContact CA-O 3.49Å; S258-Y277 PolarHBondContact N-O 2.99Å; S258-Y277 PolarHBondContact OG-O 3.17Å; K260-Y277 HydrophobicContact CB-CD1 3.91Å; K260-Y277 HydrophobicContact CB-CE1 3.8Å; W261-Y277 HydrophobicContact CB-CD1 3.74Å; W261-Y277 HydrophobicContact CB-CD2 4.28Å; W261-Y277 HydrophobicContact CB-CE1 4.39Å; W261-Y277 HydrophobicContact CB-CG 3.66Å; W261-Y277 AromaticContact CD1-CD2 3.6Å; W261-Y277 AromaticContact CD1-CG 3.82Å; W261-Y277 HydrophobicContact CG-CD2 4.35Å; W261-Y277 HydrophobicContact CG-CG 4.16Å; D264-Y277 HydrophobicContact CB-CE1 4.27Å; D264-Y277 VanDerWaalsContact CB-OH 3.3Å; D264-Y277 WeakPolarHBondContact CB-OH 3.44Å; D264-Y277 VanDerWaalsContact OD2-CE1 3.23Å; D264-Y277 WeakPolarHBondContact OD2-CE1 3.4Å; D264-Y277 PolarHBondContact OD2-OH 3.26Å; L272-Y277 HydrophobicContact CB-CE2 4.22Å; L272-Y277 HydrophobicContact CD1-CE2 4.11Å; L272-Y277 WeakPolarHBondContact CD1-OH 3.23Å; D273-Y277 WeakPolarHBondContact O-CD2 3.41Å; E274-Y277 PolarHBondContact O-N 3.42Å; E275-Y277 PolarHBondContact O-N 3.07Å
278R89.1Confident70.4Confident120 Ų12088.7 Ų88.745%0.45347%0.474SS..BIsolated β-bridgetrans-59140.3-177.6-77.5-177.6174.1143.65.4113.3I256 E274 E275 D280I256-R278 WeakPolarHBondContact O-CA 3.38Å; E274-R278 PolarHBondContact O-N 2.7Å; E275-R278 PolarHBondContact O-N 2.9Å; E275-R278 IonicContact OE1-CZ 3.19Å; E275-R278 IonicContact OE1-NH1 2.8Å; E275-R278 PolarHBondContact OE1-NH1 2.88Å; E275-R278 IonicContact OE1-NH2 2.68Å; E275-R278 PolarHBondContact OE1-NH2 2.98Å; R278-D280 PolarHBondContact O-N 3.35Å
279V84.2Confident67.5Low21 Ų2188.2 Ų88.213%0.12748%0.484CS..  trans-94.191.2178.7-171.10000110.7T238 A241 I256T238-V279 HydrophobicContact CG2-CB 4.17Å; T238-V279 HydrophobicContact CG2-CG1 4.17Å; T238-V279 HydrophobicContact CG2-CG2 4.01Å; A241-V279 HydrophobicContact CB-CG1 4.22Å; I256-V279 HydrophobicContact CG2-CB 4.18Å; I256-V279 PolarHBondContact O-N 3.31Å
280D72.3Confident64.9Low138 Ų13893.8 Ų93.874%0.73851%0.514SS*.  trans-60.9147.6176-100.7-13.7000113.4A241 R278 A282A241-D280 VanDerWaalsContact CB-O 3.28Å; A241-D280 WeakPolarHBondContact CB-O 3.4Å; R278-D280 PolarHBondContact O-N 3.35Å; D280-A282 PolarHBondContact O-N 2.72Å
281Q64.2Low62Low106 Ų10696.7 Ų96.750%0.49554%0.539SS..  trans-66.2126.1162.7-72.2-179.1-59.500108.8A241 Y246 K250 K283A241-Q281 HydrophobicContact CB-CB 4.38Å; A241-Q281 HydrophobicContact CB-CG 3.81Å; Y246-Q281 HydrophobicContact CE1-CG 4.17Å; Y246-Q281 WeakPolarHBondContact OH-CG 3.42Å; K250-Q281 VanDerWaalsContact NZ-OE1 3.11Å; Q281-K283 VanDerWaalsContact C-N 3.34Å; Q281-K283 PolarHBondContact O-N 3.24Å
282A52.8Low58.9Low96 Ų96103.8 Ų103.879%0.79358%0.577SS**  trans-64.490.2-176.900000111.2D280 T284D280-A282 PolarHBondContact O-N 2.72Å; A282-T284 PolarHBondContact O-N 2.8Å; A282-T284 VanDerWaalsContact O-N 3.09Å
283K41.4Very low55.8Low185 Ų185107.7 Ų107.780%0.80460%0.602SS**  trans-53.5116.8163.9-70.4177.9-179.7171.40107.1Q281 K285Q281-K283 VanDerWaalsContact C-N 3.34Å; Q281-K283 PolarHBondContact O-N 3.24Å; K283-K285 VanDerWaalsContact C-N 3.29Å; K283-K285 PolarHBondContact O-N 3.46Å
284T33.7Very low52.9Low137 Ų137112.8 Ų112.884%0.8462%0.624SS**  trans-66.585.5-177.331.40000110.6A282 S286A282-T284 PolarHBondContact O-N 2.8Å; A282-T284 VanDerWaalsContact O-N 3.09Å; T284-S286 PolarHBondContact O-N 3.02Å
285K31.2Very low49.9Very low191 Ų191119.6 Ų119.683%0.8366%0.656SS**  trans-69.768.6167.6-68.9-175.2178.6-179.90109.7K283 S287K283-K285 VanDerWaalsContact C-N 3.29Å; K283-K285 PolarHBondContact O-N 3.46Å; K285-S287 PolarHBondContact O-N 2.75Å
286S29.4Very low46.9Very low91 Ų91122 Ų12264%0.63667%0.671SS**  trans-73.8103.4170.7-171.50000108.5T284 T288T284-S286 PolarHBondContact O-N 3.02Å; S286-T288 PolarHBondContact O-N 2.95Å
287S29.3Very low44.1Very low117 Ų117123.4 Ų123.482%0.81867%0.673SS**  trans-78.252.5-176.4-60.10000113.3K285K285-S287 PolarHBondContact O-N 2.75Å
288T35.1Very low41.1Very low111 Ų111128.9 Ų128.968%0.68170%0.703SS**  trans-156.8119.5173.917.50000110.6S286S286-T288 PolarHBondContact O-N 2.95Å
289P31.9Very low38.1Very low125 Ų125128.5 Ų128.581%0.81272%0.719SS**  trans-102.6124.7176.735-28.8000113.1
290T37.5Very low35.3Very low140 Ų140136.6 Ų136.686%0.85975%0.752SS**  trans-150.1133.1155.219.70000109
291P33Very low33.2Very low110 Ų110137 Ų13771%0.71476%0.755SS**  trans-97.9173.4-171.638.8-36.9000114.2
292N28Very low31.6Very low149 Ų149139.5 Ų139.580%0.79777%0.772SS**  trans71.1143.3166.9-66.31.5000115.7
293T30.1Very low30.6Very low105 Ų105142.3 Ų142.364%0.64477%0.772SS**  cis-159.4167.41-108.60000110.7
294Q32.3Very low29.9Very low160 Ų160139.2 Ų139.275%0.74877%0.773SS**  trans80.7108.2165.2-87.2157.6-3.700121.1
295Q27.6Very low29.8Very low163 Ų163136.9 Ų136.976%0.76277%0.768SS**  67.1121.3124.1-69.9177.3-46.800123.6
296N25.7Very low29.8Very low117 Ų117135.8 Ų135.863%0.62677%0.769SS**  trans64.5123.3133.9-67.348.9000123.4
297E25.6Very low29.8Very low173 Ų173136.4 Ų136.481%0.80877%0.774SS**  42.798.8126.1-57.3176.4130.400120.6
298I28.4Very low29.8Very low152 Ų152141.4 Ų141.478%0.77978%0.776SS**  trans-143.7107.8147.7-22.8175.5000104.7
299S26.5Very low29.6Very low111 Ų111142 Ų14278%0.77678%0.78SS**  59.7121.866.2-161.70000112.8
300F26.3Very low29.6Very low191 Ų191139.3 Ų139.384%0.83877%0.774SS**  trans-121.2115177.1-81.4-91.9000109.1
301D27.5Very low29.2Very low147 Ų147137.4 Ų137.479%0.78677%0.772SS**  173.4118.7124.4-92.6-17.7000110
302N31.2Very low29Very low159 Ų159137.2 Ų137.285%0.8578%0.781SS**  176159.5129.7-101.1-66.1000114.1
303I31Very low29.4Very low155 Ų155136 Ų13680%0.79578%0.784SS**  trans87.1119.2171.5-56.8165.8000116.6
304S27.5Very low29.6Very low119 Ų119140.4 Ų140.483%0.83279%0.794SS**  trans-120.3159.4166.1-70.20000109.7
305A31.6Very low29.7Very low88 Ų88140 Ų14073%0.72780%0.802SS**  trans69.8154.6-174.400000113.9
306I31Very low29.8Very low168 Ų168138.3 Ų138.386%0.86280%0.798SS**  cis-127.9162.519.1-68.3169000111.7
307S28.5Very low30.1Very low105 Ų105142 Ų14273%0.73481%0.812SS**  trans-89162.3-174-47.90000115.9
308Y28.6Very low30.3Very low221 Ų221139.4 Ų139.487%0.86781%0.808SS**  trans72148158-118.6-138.4000115.3
309V31.5Very low30.4Very low125 Ų125143.6 Ų143.676%0.75881%0.814SS**  cis-148.7171.310.3-144.60000110.1
310G31.7Very low30.5Very low68 Ų68143.7 Ų143.770%0.70182%0.815SS**  trans118.287.413300000121.4
311A30.3Very low30.4Very low99 Ų99140.6 Ų140.682%0.81881%0.811SS**  trans36.7105.7138.700000122.9
312A28.8Very low30.3Very low107 Ų107138.8 Ų138.888%0.88481%0.808SS**  46.8122.6123.400000122.8
313S36Very low30Very low123 Ų123140 Ų14086%0.8681%0.806SS**  trans-139.9156.2134.7-171.60000110.1
314K34.2Very low29.8Very low197 Ų197141.8 Ų141.886%0.85780%0.803SS**  trans-111.1141.5177.1-71.8-177.1176.9-176.40110.4
315V34.7Very low29.5Very low153 Ų153142.9 Ų142.993%0.92780%0.795SS**  trans-135.7125.9144.4-175.80000107.8
316D28.9Very low29.4Very low127 Ų127144.9 Ų144.968%0.67980%0.804SS**  trans-143.4131.5166.1166.924.1000104.9T318D316-T318 PolarHBondContact OD1-OG1 2.9Å
317E31.4Very low29.1Very low195 Ų195141.1 Ų141.191%0.91180%0.798SS**  trans-153145.1144.8-126.6173.2-130.600110.2
318T30.6Very low29.1Very low118 Ų118144.6 Ų144.672%0.72480%0.802SS**  trans-129.3155.4-170.8-59.90000109.4D316D316-T318 PolarHBondContact OD1-OG1 2.9Å
319R30.8Very low28.9Very low240 Ų240140.1 Ų140.191%0.90680%0.798SS**  trans90.9110.7153-163.1-179.5-177.9169-1.4118.6
320S27.5Very low28.9Very low113 Ų113139 Ų13979%0.7979%0.791SS**  -157.5149.1120.1-165.10000113.7
321V24.3Very low28.7Very low126 Ų126140.5 Ų140.576%0.76479%0.791SS**  trans-79.3172.4168.2-72.10000110.3
322C25.6Very low28.9Very low108 Ų108142.6 Ų142.673%0.7379%0.787SS**  cis-162.4-167.723.9-150.80000113.5
323F25.8Very low29.1Very low184 Ų184145.3 Ų145.381%0.80778%0.781SS**  trans94.985.9164.6-72.3-80.9000121.8
324R25.8Very low29.2Very low194 Ų194145.6 Ų145.673%0.73278%0.783SS**  48.2134.1118-99.5176.5170.5-113-2.4123.4
325E22.7Very low29.5Very low141 Ų141139.5 Ų139.566%0.65978%0.776SS**  trans64.4103.8139.6-74.6161.8148.600121.7
326S28.9Very low30.2Very low131 Ų131136.4 Ų136.492%0.91676%0.761SS**  -157.9158.4120.1-83.10000110.5
327A23.7Very low31.8Very low88 Ų88133.7 Ų133.773%0.72775%0.752SS**  trans-108.5132-164.600000115
328Q28.4Very low34.1Very low178 Ų178125.7 Ų125.783%0.83272%0.715SS**  trans-142.1117.5150.4-66.1-175.5-16.900104.6V330Q328-V330 HydrophobicContact CB-CG2 4.46Å
329V24.7Very low36.7Very low128 Ų128120 Ų12078%0.77668%0.681SS**  cis58.860.435-162.10000112.1
330V31.4Very low39Very low102 Ų102112.4 Ų112.462%0.61866%0.664SS**  trans-128103.9158179.80000104.2Q328 I332Q328-V330 HydrophobicContact CB-CG2 4.46Å; V330-I332 HydrophobicContact CG1-CD1 3.85Å; V330-I332 HydrophobicContact CG1-CG1 3.71Å
331S27.9Very low41.3Very low98 Ų98109.8 Ų109.869%0.68566%0.655SS**  cis63.438.230.4-147.50000114.1
332I34.5Very low44.1Very low144 Ų144103.9 Ų103.974%0.73862%0.619SS**  trans-97.985.7144.3-67.5156.3000103.9V330V330-I332 HydrophobicContact CG1-CD1 3.85Å; V330-I332 HydrophobicContact CG1-CG1 3.71Å
333Q33.8Very low46.9Very low164 Ų16499 Ų9977%0.76659%0.586SS**  58.9110.895-71.2-168.4-17.800112.1G335Q333-G335 VanDerWaalsContact C-N 3.29Å; Q333-G335 PolarHBondContact O-N 3.47Å
334S36.7Very low49.8Very low128 Ų12890.2 Ų90.290%0.89555%0.548SS*.  trans-6388.6169.7-49.60000109.6S336S334-S336 PolarHBondContact O-N 2.97Å
335G40.8Very low52.7Low69 Ų6986.1 Ų86.171%0.71153%0.532SS*.  trans-56.8112.617000000108.5Q333 S337Q333-G335 VanDerWaalsContact C-N 3.29Å; Q333-G335 PolarHBondContact O-N 3.47Å; G335-S337 PolarHBondContact O-N 2.69Å; G335-S337 VanDerWaalsContact O-N 3.15Å
336S50Low55.8Low88 Ų8880.7 Ų80.762%0.61551%0.506SS*.  trans-60.8118.4-179.950.60000109.3S334 I338S334-S336 PolarHBondContact O-N 2.97Å; S336-I338 WeakPolarHBondContact O-CG1 3.46Å; S336-I338 PolarHBondContact O-N 3.36Å
337S62.6Low58.4Low71 Ų7175.5 Ų75.550%0.49747%0.47SS..  trans-65.287.6170.5-58.40000109.1G335 L339 S340 L364G335-S337 PolarHBondContact O-N 2.69Å; G335-S337 VanDerWaalsContact O-N 3.15Å; S337-L339 PolarHBondContact O-N 3.28Å; S337-S340 WeakPolarHBondContact O-CB 3.45Å; S337-S340 PolarHBondContact O-N 3.43Å; S337-L364 CarbonylContact C-O 3.56Å
338I80.5Confident61.2Low26 Ų2673.4 Ų73.413%0.13345%0.447CS..THydrogen-bonded Turntrans-56.9-35.6-174.7-75.1148.6000111.2S336 L364 K415 R417S336-I338 WeakPolarHBondContact O-CG1 3.46Å; S336-I338 PolarHBondContact O-N 3.36Å; I338-L364 HydrophobicContact CB-CB 4.24Å; I338-L364 HydrophobicContact CD1-CD2 3.82Å; I338-L364 HydrophobicContact CG2-CB 4.46Å; I338-L364 HydrophobicContact CG2-CD1 4.39Å; I338-L364 PolarHBondContact N-O 2.71Å; I338-L364 VanDerWaalsContact N-O 3.1Å; I338-K415 VanDerWaalsContact CD1-C 3.5Å; I338-K415 HydrophobicContact CD1-CB 4.47Å; I338-K415 VanDerWaalsContact CD1-O 3.24Å; I338-K415 WeakPolarHBondContact CD1-O 3.44Å; I338-R417 HydrophobicContact CG2-CB 4.14Å
339L83.4Confident63.8Low0 Ų065.9 Ų65.90%041%0.414CS..THydrogen-bonded Turntrans-101.926.6175.3-60.5-176.3000113S337 G341 C342 I344 L364 G366 W407 L408S337-L339 PolarHBondContact O-N 3.28Å; L339-G341 PolarHBondContact O-N 3.03Å; L339-C342 HydrophobicContact CB-CB 4.14Å; L339-C342 WeakPolarHBondContact O-CB 3.33Å; L339-C342 PolarHBondContact O-N 3.1Å; L339-I344 HydrophobicContact CD1-CD1 4.05Å; L339-L364 HydrophobicContact CB-CB 4.34Å; L339-L364 HydrophobicContact CD1-CB 3.83Å; L339-L364 HydrophobicContact CD1-CD1 4.08Å; L339-L364 HydrophobicContact CG-CB 3.76Å; L339-L364 HydrophobicContact CG-CD1 4.28Å; L339-L364 PolarHBondContact N-O 2.58Å; L339-G366 WeakPolarHBondContact O-CA 3.39Å; L339-W407 HydrophobicContact CD2-CH2 3.45Å; L339-W407 VanDerWaalsContact CD2-CH2 3.45Å; L339-W407 HydrophobicContact CD2-CZ2 4.21Å; L339-W407 HydrophobicContact CD2-CZ3 3.86Å; L339-L408 HydrophobicContact CD1-CD2 3.74Å
340S79.1Confident66.4Low80 Ų8065 Ų6556%0.55940%0.4SS*.THydrogen-bonded Turntrans-52.1135.5172.1-172.50000111.2S337 C342S337-S340 WeakPolarHBondContact O-CB 3.45Å; S337-S340 PolarHBondContact O-N 3.43Å; S340-C342 PolarHBondContact O-N 2.99Å; S340-C342 VanDerWaalsContact O-N 3.17Å
341G76.3Confident68.6Low57 Ų5768 Ų6859%0.58840%0.404SS*.THydrogen-bonded Turntrans683.8-176.900000115.3L339 S343L339-G341 PolarHBondContact O-N 3.03Å; G341-S343 PolarHBondContact O-N 3.33Å
342C83.1Confident71.2Confident2 Ų269.3 Ų69.31%0.01440%0.404CS..  trans-92.4101.3178.3-56.90000110.7L339 S340 I344 K367 T381 R417L339-C342 HydrophobicContact CB-CB 4.14Å; L339-C342 WeakPolarHBondContact O-CB 3.33Å; L339-C342 PolarHBondContact O-N 3.1Å; S340-C342 PolarHBondContact O-N 2.99Å; S340-C342 VanDerWaalsContact O-N 3.17Å; C342-I344 HydrophobicContact CB-CD1 4.07Å; C342-I344 HydrophobicContact CB-CG1 4.09Å; C342-K367 PolarHBondContact O-N 3.1Å; C342-T381 WeakPolarHBondContact CA-OG1 3.49Å; C342-R417 PolarHBondContact SG-NH1 3.43Å; C342-R417 VanDerWaalsContact SG-NH1 3.35Å
343S84.1Confident73.7Confident6 Ų663.5 Ų63.54%0.04237%0.373CS..EExtended strand (participates in β ladder)trans-81.6117.8163.2-67.90000109.7G341 T381 H382G341-S343 PolarHBondContact O-N 3.33Å; S343-T381 PolarHBondContact N-OG1 3.46Å; S343-T381 PolarHBondContact O-N 3.12Å; S343-T381 PolarHBondContact O-OG1 3.31Å; S343-H382 PolarHBondContact O-N 3.15Å
344I88.1Confident76.1Confident0 Ų058.1 Ų58.10%035%0.352CS..EExtended strand (participates in β ladder)trans-122.7134.4-168.6-55.5180000111.1L339 C342 F346 V361 K367 C369 H382 V384 W407 L408L339-I344 HydrophobicContact CD1-CD1 4.05Å; C342-I344 HydrophobicContact CB-CD1 4.07Å; C342-I344 HydrophobicContact CB-CG1 4.09Å; I344-F346 HydrophobicContact CG2-CE1 4.32Å; I344-V361 HydrophobicContact CD1-CG1 4.29Å; I344-V361 HydrophobicContact CD1-CG2 3.92Å; I344-V361 HydrophobicContact CG2-CG2 4.45Å; I344-K367 PolarHBondContact N-O 2.94Å; I344-C369 PolarHBondContact O-N 2.71Å; I344-C369 PolarHBondContact O-SG 3.04Å; I344-H382 WeakPolarHBondContact CA-O 3.41Å; I344-H382 HydrophobicContact CG1-CB 4.31Å; I344-V384 HydrophobicContact CG2-CB 4.39Å; I344-V384 HydrophobicContact CG2-CG2 3.84Å; I344-W407 HydrophobicContact CD1-CZ3 4.29Å; I344-L408 HydrophobicContact CD1-CD2 4.27Å
345R86.3Confident78.4Confident107 Ų10758.6 Ų58.640%0.40434%0.339SS..EExtended strand (participates in β ladder)trans-117.1140.6172.6-178.7-172.8-74.2156.7-2.1109.7C369 L380 H382 V383 V384 E397R345-C369 HydrophobicContact CB-CB 4.36Å; R345-L380 HydrophobicContact CB-CD1 3.75Å; R345-L380 HydrophobicContact CB-CD2 4.35Å; R345-H382 PolarHBondContact N-O 3.03Å; R345-V383 HydrophobicContact CB-CG2 4.43Å; R345-V383 WeakPolarHBondContact O-CA 3.46Å; R345-V384 PolarHBondContact O-N 3Å; R345-E397 IonicContact NH1-OE1 3.37Å; R345-E397 PolarHBondContact NH1-OE1 3.24Å
346F87.9Confident80.7Confident27 Ų2759 Ų5912%0.11833%0.325CS..EExtended strand (participates in β ladder)trans-90.9146.3171.1-60.3-51.6000111.5I344 V354 Y357 S358 V361 L368 V384 L408I344-F346 HydrophobicContact CG2-CE1 4.32Å; F346-V354 HydrophobicContact CD2-CG1 4.24Å; F346-Y357 HydrophobicContact CD1-CD2 4.32Å; F346-Y357 HydrophobicContact CE1-CD2 4.25Å; F346-Y357 HydrophobicContact CE1-CG 4.23Å; F346-Y357 VanDerWaalsContact CZ-CB 3.43Å; F346-S358 WeakPolarHBondContact CE2-OG 3.37Å; F346-V361 HydrophobicContact CZ-CG2 4.03Å; F346-L368 HydrophobicContact CD2-CD1 3.77Å; F346-L368 HydrophobicContact CE2-CD1 3.3Å; F346-L368 HydrophobicContact CE2-CD2 4.25Å; F346-L368 HydrophobicContact CE2-CG 4.43Å; F346-L368 HydrophobicContact CZ-CD1 3.91Å; F346-V384 WeakPolarHBondContact CA-O 3.37Å; F346-V384 HydrophobicContact CD1-CB 3.82Å; F346-V384 HydrophobicContact CD1-CG1 3.91Å; F346-V384 HydrophobicContact CE1-CB 4.04Å; F346-V384 HydrophobicContact CE1-CG1 4.08Å; F346-L408 HydrophobicContact CE1-CD1 3.98Å
347S83.6Confident82.7Confident23 Ų2355.7 Ų55.716%0.16130%0.299CS..EExtended strand (participates in β ladder)trans-146147.2175.3-165.30000109.7C349 V384 V385 G386 M394S347-C349 PolarHBondContact O-N 2.98Å; S347-C349 PolarHBondContact O-SG 3.11Å; S347-C349 VanDerWaalsContact O-SG 3.33Å; S347-V384 PolarHBondContact N-O 3.34Å; S347-V385 VanDerWaalsContact O-CA 3.28Å; S347-V385 WeakPolarHBondContact O-CA 3.39Å; S347-G386 PolarHBondContact O-N 2.92Å; S347-M394 WeakPolarHBondContact OG-CE 3.37Å
348D82.5Confident84Confident44 Ų4453.2 Ų53.224%0.23528%0.282CS..SBendtrans48.631.6179.7-56.6-27.2000115.2V385 G386 S387 I388 S390D348-V385 HydrophobicContact CB-CG1 4Å; D348-G386 CarbonylContact O-C 3.57Å; D348-G386 WeakPolarHBondContact O-CA 3.22Å; D348-S387 PolarHBondContact O-N 2.8Å; D348-I388 HydrophobicContact CB-CB 4.15Å; D348-I388 VanDerWaalsContact O-CB 3.27Å; D348-I388 WeakPolarHBondContact O-CB 3.36Å; D348-I388 WeakPolarHBondContact O-CG1 3.36Å; D348-I388 PolarHBondContact O-N 3Å; D348-S390 VanDerWaalsContact OD2-CB 3.28Å; D348-S390 WeakPolarHBondContact OD2-CB 3.43Å; D348-S390 PolarHBondContact OD2-OG 3.37Å
349C81.6Confident84.3Confident20 Ų2055.4 Ų55.414%0.13530%0.299CS..  trans-97.2138.7177.5-67.10000111.8S347 E353 V354 G386S347-C349 PolarHBondContact O-N 2.98Å; S347-C349 PolarHBondContact O-SG 3.11Å; S347-C349 VanDerWaalsContact O-SG 3.33Å; C349-E353 HydrophobicContact CB-CB 4.02Å; C349-V354 HydrophobicContact CB-CG2 3.49Å; C349-V354 VanDerWaalsContact CB-CG2 3.49Å; C349-G386 VanDerWaalsContact SG-CA 3.54Å; C349-G386 PolarHBondContact SG-N 3.14Å; C349-G386 VanDerWaalsContact SG-N 3.43Å
350K81.3Confident84.5Confident110 Ų11055.5 Ų55.548%0.47830%0.3SS..  trans-67.2159.9166.1-62.2174.2-176.5175.10110.7D352 E353 V354 I388K350-D352 VanDerWaalsContact C-N 3.25Å; K350-D352 PolarHBondContact O-N 2.92Å; K350-E353 HydrophobicContact CB-CG 4.22Å; K350-E353 WeakPolarHBondContact CB-OE2 3.33Å; K350-E353 WeakPolarHBondContact CG-OE2 3.48Å; K350-E353 PolarHBondContact N-OE2 3.06Å; K350-E353 WeakPolarHBondContact O-CB 3.31Å; K350-E353 PolarHBondContact O-N 3.19Å; K350-E353 VanDerWaalsContact O-N 3.07Å; K350-V354 WeakPolarHBondContact O-CG2 3.29Å; K350-V354 PolarHBondContact O-N 3.02Å; K350-I388 HydrophobicContact CG-CD1 4.25Å; K350-I388 HydrophobicContact CG-CG1 3.93Å
351K76.2Confident84.9Confident165 Ų16551.7 Ų51.772%0.71727%0.273SS*.Hα-helixtrans-51.7-44.1178.6-74.4-175176.6178.70112.1V354 H355K351-V354 PolarHBondContact O-N 3.34Å; K351-H355 PolarHBondContact O-CD2 3.08Å; K351-H355 PolarHBondContact O-N 2.89Å
352D83Confident85.4Confident125 Ų12555.8 Ų55.867%0.66827%0.271SS*.Hα-helixtrans-67.7-38.2-179.2-42.4-51.7000112.4K350 H355 L356K350-D352 VanDerWaalsContact C-N 3.25Å; K350-D352 PolarHBondContact O-N 2.92Å; D352-H355 PolarHBondContact O-N 3.45Å; D352-L356 VanDerWaalsContact O-CB 3.3Å; D352-L356 WeakPolarHBondContact O-CB 3.49Å; D352-L356 PolarHBondContact O-N 3.44Å
353E86.4Confident85.5Confident22 Ų2261.5 Ų61.510%0.10330%0.297CS..Hα-helixtrans-64.7-43.5173.5-66.4179.3119.700111C349 K350 H355 L356 Y357 S387C349-E353 HydrophobicContact CB-CB 4.02Å; K350-E353 HydrophobicContact CB-CG 4.22Å; K350-E353 WeakPolarHBondContact CB-OE2 3.33Å; K350-E353 WeakPolarHBondContact CG-OE2 3.48Å; K350-E353 PolarHBondContact N-OE2 3.06Å; K350-E353 WeakPolarHBondContact O-CB 3.31Å; K350-E353 PolarHBondContact O-N 3.19Å; K350-E353 VanDerWaalsContact O-N 3.07Å; E353-H355 PolarHBondContact O-N 3.27Å; E353-L356 PolarHBondContact O-N 3.27Å; E353-Y357 HydrophobicContact CB-CD2 4.17Å; E353-Y357 HydrophobicContact CB-CE2 3.81Å; E353-Y357 HydrophobicContact CG-CE2 4.39Å; E353-Y357 VanDerWaalsContact O-CB 3.29Å; E353-Y357 WeakPolarHBondContact O-CB 3.34Å; E353-Y357 WeakPolarHBondContact O-CD2 3.47Å; E353-Y357 PolarHBondContact O-N 3.3Å; E353-S387 WeakPolarHBondContact OE1-CB 3.49Å; E353-S387 PolarHBondContact OE1-N 3.09Å; E353-S387 PolarHBondContact OE1-OG 3.29Å; E353-S387 PolarHBondContact OE2-N 3.27Å; E353-S387 VanDerWaalsContact OE2-N 3.1Å
354V84.6Confident85.6Confident51 Ų5161.8 Ų61.831%0.30930%0.298SS..Hα-helixtrans-60.1-45175175.10000110.8F346 C349 K350 K351 S358F346-V354 HydrophobicContact CD2-CG1 4.24Å; C349-V354 HydrophobicContact CB-CG2 3.49Å; C349-V354 VanDerWaalsContact CB-CG2 3.49Å; K350-V354 WeakPolarHBondContact O-CG2 3.29Å; K350-V354 PolarHBondContact O-N 3.02Å; K351-V354 PolarHBondContact O-N 3.34Å; V354-S358 WeakPolarHBondContact O-CB 3.37Å; V354-S358 PolarHBondContact O-N 2.84Å; V354-S358 PolarHBondContact O-OG 3.27Å
355H84.9Confident85.3Confident138 Ų13863.4 Ų63.464%0.63932%0.315SS*.Hα-helixtrans-64.6-46.8177.3-76.8-63.4000112.4K351 D352 E353 S358 S359K351-H355 PolarHBondContact O-CD2 3.08Å; K351-H355 PolarHBondContact O-N 2.89Å; D352-H355 PolarHBondContact O-N 3.45Å; E353-H355 PolarHBondContact O-N 3.27Å; H355-S358 PolarHBondContact O-N 3.08Å; H355-S359 PolarHBondContact O-N 2.97Å; H355-S359 VanDerWaalsContact O-N 3.08Å
356L89.6Confident85.1Confident78 Ų7859 Ų5941%0.40830%0.303SS..Hα-helixtrans-60-53.7178.1176.859000111.4D352 E353 S358 S359 I360 L409D352-L356 VanDerWaalsContact O-CB 3.3Å; D352-L356 WeakPolarHBondContact O-CB 3.49Å; D352-L356 PolarHBondContact O-N 3.44Å; E353-L356 PolarHBondContact O-N 3.27Å; L356-S358 PolarHBondContact O-N 2.94Å; L356-S359 WeakPolarHBondContact O-CB 3.23Å; L356-S359 PolarHBondContact O-N 3.14Å; L356-I360 HydrophobicContact CD1-CD1 4.08Å; L356-I360 HydrophobicContact CG-CD1 4.17Å; L356-I360 WeakPolarHBondContact O-CG1 3.37Å; L356-I360 PolarHBondContact O-N 3.05Å; L356-I360 VanDerWaalsContact O-N 3.12Å; L356-L409 HydrophobicContact CD2-CD2 4.31Å
357Y92.7Very high84.7Confident17 Ų1762.1 Ų62.17%0.06732%0.317CS..Hα-helixtrans-67.9-34.5-178.5-59.6-28.9000112.4F346 E353 S359 I360 V361 V384 L408 L409F346-Y357 HydrophobicContact CD1-CD2 4.32Å; F346-Y357 HydrophobicContact CE1-CD2 4.25Å; F346-Y357 HydrophobicContact CE1-CG 4.23Å; F346-Y357 VanDerWaalsContact CZ-CB 3.43Å; E353-Y357 HydrophobicContact CB-CD2 4.17Å; E353-Y357 HydrophobicContact CB-CE2 3.81Å; E353-Y357 HydrophobicContact CG-CE2 4.39Å; E353-Y357 VanDerWaalsContact O-CB 3.29Å; E353-Y357 WeakPolarHBondContact O-CB 3.34Å; E353-Y357 WeakPolarHBondContact O-CD2 3.47Å; E353-Y357 PolarHBondContact O-N 3.3Å; Y357-S359 VanDerWaalsContact C-N 3.3Å; Y357-S359 PolarHBondContact O-N 3.41Å; Y357-I360 HydrophobicContact CD1-CD1 4.41Å; Y357-I360 PolarHBondContact O-N 3.48Å; Y357-V361 WeakPolarHBondContact O-CG2 3.4Å; Y357-V361 PolarHBondContact O-N 2.66Å; Y357-V384 HydrophobicContact CD2-CG1 4.03Å; Y357-V384 HydrophobicContact CE2-CG1 4.26Å; Y357-L408 HydrophobicContact CD1-CB 4.47Å; Y357-L408 HydrophobicContact CD1-CD1 4.17Å; Y357-L408 HydrophobicContact CG-CD1 3.98Å; Y357-L409 HydrophobicContact CE1-CG 4.4Å
358S87.9Confident84.5Confident19 Ų1961.7 Ų61.713%0.13331%0.312CS..Hα-helixtrans-61.1-38.9172.4-62.80000112.2F346 V354 H355 L356 R362F346-S358 WeakPolarHBondContact CE2-OG 3.37Å; V354-S358 WeakPolarHBondContact O-CB 3.37Å; V354-S358 PolarHBondContact O-N 2.84Å; V354-S358 PolarHBondContact O-OG 3.27Å; H355-S358 PolarHBondContact O-N 3.08Å; L356-S358 PolarHBondContact O-N 2.94Å; S358-R362 WeakPolarHBondContact O-CG 3.42Å; S358-R362 PolarHBondContact O-N 2.88Å
359S86.9Confident83.9Confident73 Ų7360.8 Ų60.851%0.5131%0.31SS..Hα-helixtrans-62.6-48.7175.2-1630000110.7H355 L356 Y357 R362 E363H355-S359 PolarHBondContact O-N 2.97Å; H355-S359 VanDerWaalsContact O-N 3.08Å; L356-S359 WeakPolarHBondContact O-CB 3.23Å; L356-S359 PolarHBondContact O-N 3.14Å; Y357-S359 VanDerWaalsContact C-N 3.3Å; Y357-S359 PolarHBondContact O-N 3.41Å; S359-R362 PolarHBondContact O-N 2.87Å; S359-E363 WeakPolarHBondContact O-CB 3.49Å; S359-E363 PolarHBondContact O-N 3.16Å
360I88.6Confident82.8Confident1 Ų163.6 Ų63.61%0.00533%0.326CS..Hα-helixtrans-64.7-43-178.4-61.8170.2000112.1L356 Y357 R362 E363 L364 L408 L409 R412L356-I360 HydrophobicContact CD1-CD1 4.08Å; L356-I360 HydrophobicContact CG-CD1 4.17Å; L356-I360 WeakPolarHBondContact O-CG1 3.37Å; L356-I360 PolarHBondContact O-N 3.05Å; L356-I360 VanDerWaalsContact O-N 3.12Å; Y357-I360 HydrophobicContact CD1-CD1 4.41Å; Y357-I360 PolarHBondContact O-N 3.48Å; I360-R362 VanDerWaalsContact C-N 3.26Å; I360-R362 PolarHBondContact O-N 2.91Å; I360-E363 PolarHBondContact O-N 3.02Å; I360-L364 HydrophobicContact CG2-CD1 3.7Å; I360-L364 HydrophobicContact CG2-CG 4.17Å; I360-L364 WeakPolarHBondContact O-CB 3.49Å; I360-L364 WeakPolarHBondContact O-CG 3.42Å; I360-L364 PolarHBondContact O-N 2.93Å; I360-L408 HydrophobicContact CG2-CB 4.02Å; I360-L408 WeakPolarHBondContact CG2-O 3.24Å; I360-L409 HydrophobicContact CD1-CD2 3.64Å; I360-L409 HydrophobicContact CD1-CG 4.4Å; I360-R412 HydrophobicContact CG2-CB 3.99Å
361V88.4Confident81.1Confident0 Ų064.2 Ų64.20%033%0.33CS..Hα-helixtrans-60.2-39.3178170.60000110.9I344 F346 Y357 G365 G366 L368 L408I344-V361 HydrophobicContact CD1-CG1 4.29Å; I344-V361 HydrophobicContact CD1-CG2 3.92Å; I344-V361 HydrophobicContact CG2-CG2 4.45Å; F346-V361 HydrophobicContact CZ-CG2 4.03Å; Y357-V361 WeakPolarHBondContact O-CG2 3.4Å; Y357-V361 PolarHBondContact O-N 2.66Å; V361-G365 PolarHBondContact O-N 3.07Å; V361-G366 PolarHBondContact O-N 2.94Å; V361-L368 HydrophobicContact CG1-CB 4.44Å; V361-L408 HydrophobicContact CG2-CD1 3.78Å; V361-L408 HydrophobicContact CG2-CD2 3.83Å
362R85.9Confident79.5Confident143 Ų14360.1 Ų60.154%0.5432%0.316SS..Hα-helixtrans-71.9-42.5175.7-70.6173.6174178.8-1.2112.8S358 S359 I360 L364 G365 E371S358-R362 WeakPolarHBondContact O-CG 3.42Å; S358-R362 PolarHBondContact O-N 2.88Å; S359-R362 PolarHBondContact O-N 2.87Å; I360-R362 VanDerWaalsContact C-N 3.26Å; I360-R362 PolarHBondContact O-N 2.91Å; R362-L364 VanDerWaalsContact C-N 3.28Å; R362-L364 PolarHBondContact O-N 2.85Å; R362-G365 PolarHBondContact O-N 2.87Å; R362-E371 IonicContact CZ-OE1 3.95Å; R362-E371 IonicContact CZ-OE2 2.73Å; R362-E371 IonicContact NE-OE2 3.94Å; R362-E371 IonicContact NH2-OE1 2.61Å; R362-E371 PolarHBondContact NH2-OE1 3.38Å; R362-E371 IonicContact NH2-OE2 3.4Å; R362-E371 PolarHBondContact NH2-OE2 3.27Å
363E85.3Confident77.3Confident122 Ų12263.2 Ų63.257%0.5732%0.324SS*.Hα-helixtrans-56.9-40.3176.8-174.6-175.1168.400112S359 I360 R412S359-E363 WeakPolarHBondContact O-CB 3.49Å; S359-E363 PolarHBondContact O-N 3.16Å; I360-E363 PolarHBondContact O-N 3.02Å; E363-R412 VanDerWaalsContact OE2-CD 3.31Å; E363-R412 WeakPolarHBondContact OE2-CD 3.38Å
364L86.3Confident74.8Confident12 Ų1267.7 Ų67.76%0.06335%0.349CS..THydrogen-bonded Turntrans-94.35.5-177.3-56.2-179.4000114.3S337 I338 L339 I360 R362 C411 R412S337-L364 CarbonylContact C-O 3.56Å; I338-L364 HydrophobicContact CB-CB 4.24Å; I338-L364 HydrophobicContact CD1-CD2 3.82Å; I338-L364 HydrophobicContact CG2-CB 4.46Å; I338-L364 HydrophobicContact CG2-CD1 4.39Å; I338-L364 PolarHBondContact N-O 2.71Å; I338-L364 VanDerWaalsContact N-O 3.1Å; L339-L364 HydrophobicContact CB-CB 4.34Å; L339-L364 HydrophobicContact CD1-CB 3.83Å; L339-L364 HydrophobicContact CD1-CD1 4.08Å; L339-L364 HydrophobicContact CG-CB 3.76Å; L339-L364 HydrophobicContact CG-CD1 4.28Å; L339-L364 PolarHBondContact N-O 2.58Å; I360-L364 HydrophobicContact CG2-CD1 3.7Å; I360-L364 HydrophobicContact CG2-CG 4.17Å; I360-L364 WeakPolarHBondContact O-CB 3.49Å; I360-L364 WeakPolarHBondContact O-CG 3.42Å; I360-L364 PolarHBondContact O-N 2.93Å; R362-L364 VanDerWaalsContact C-N 3.28Å; R362-L364 PolarHBondContact O-N 2.85Å; L364-C411 HydrophobicContact CD1-CB 4.04Å; L364-R412 HydrophobicContact CD1-CB 4.05Å; L364-R412 HydrophobicContact CD2-CB 4.41Å; L364-R412 HydrophobicContact CD2-CG 4.47Å
365G80.5Confident72.4Confident35 Ų3571.6 Ų71.636%0.36136%0.364SS..THydrogen-bonded Turntrans77.525.9173.500000116.1V361 R362V361-G365 PolarHBondContact O-N 3.07Å; R362-G365 PolarHBondContact O-N 2.87Å
366G82.2Confident70Confident14 Ų1472.2 Ų72.214%0.14438%0.377CS..PPolyproline II helixtrans-89.5163.7173.200000113.4L339 V361L339-G366 WeakPolarHBondContact O-CA 3.39Å; V361-G366 PolarHBondContact O-N 2.94Å
367K79.8Confident67.7Low92 Ų9272.6 Ų72.640%0.438%0.382SS..EExtended strand (participates in β ladder)trans-99.3128.3178.9-68.1-178.8-179.5173.60110.6C342 I344 E378C342-K367 PolarHBondContact O-N 3.1Å; I344-K367 PolarHBondContact N-O 2.94Å; K367-E378 IonicContact NZ-OE1 3.41Å; K367-E378 PolarHBondContact NZ-OE1 3.3Å; K367-E378 IonicContact NZ-OE2 3.13Å; K367-E378 PolarHBondContact NZ-OE2 3.27Å
368L79.4Confident65.6Low14 Ų1477.1 Ų77.17%0.07340%0.404CS..EExtended strand (participates in β ladder)trans-96.5117.9178.4-179.960.3000110.9F346 V361 T370 E371F346-L368 HydrophobicContact CD2-CD1 3.77Å; F346-L368 HydrophobicContact CE2-CD1 3.3Å; F346-L368 HydrophobicContact CE2-CD2 4.25Å; F346-L368 HydrophobicContact CE2-CG 4.43Å; F346-L368 HydrophobicContact CZ-CD1 3.91Å; V361-L368 HydrophobicContact CG1-CB 4.44Å; L368-T370 HydrophobicContact CD1-CG2 4.46Å; L368-T370 WeakPolarHBondContact CD2-OG1 3.42Å; L368-T370 WeakPolarHBondContact CG-OG1 3.38Å; L368-T370 PolarHBondContact O-N 2.98Å; L368-E371 PolarHBondContact O-N 2.66Å
369C70.3Confident64.4Low26 Ų2684.2 Ų84.218%0.17644%0.437CS..G310 helixtrans-70.3-2.3-173.1-64.40000115.3I344 R345 E371I344-C369 PolarHBondContact O-N 2.71Å; I344-C369 PolarHBondContact O-SG 3.04Å; R345-C369 HydrophobicContact CB-CB 4.36Å; C369-E371 VanDerWaalsContact C-N 3.33Å
370T59.1Low63.9Low78 Ų7882 Ų8248%0.47942%0.419SS..G310 helixtrans-82-9177.760.90000113.8L368L368-T370 HydrophobicContact CD1-CG2 4.46Å; L368-T370 WeakPolarHBondContact CD2-OG1 3.42Å; L368-T370 WeakPolarHBondContact CG-OG1 3.38Å; L368-T370 PolarHBondContact O-N 2.98Å
371E44.2Very low63.7Low123 Ų12383.7 Ų83.758%0.57543%0.43SS*.G310 helixtrans-102.81.6-177.6-61.4-170.610900113.8R362 L368 C369R362-E371 IonicContact CZ-OE1 3.95Å; R362-E371 IonicContact CZ-OE2 2.73Å; R362-E371 IonicContact NE-OE2 3.94Å; R362-E371 IonicContact NH2-OE1 2.61Å; R362-E371 PolarHBondContact NH2-OE1 3.38Å; R362-E371 IonicContact NH2-OE2 3.4Å; R362-E371 PolarHBondContact NH2-OE2 3.27Å; L368-E371 PolarHBondContact O-N 2.66Å; C369-E371 VanDerWaalsContact C-N 3.33Å
372L42.5Very low63.6Low79 Ų7984 Ų8441%0.41443%0.431SS..  trans-125.880.8-173.5-64.5174000110.8T377L372-T377 HydrophobicContact CB-CG2 4.46Å
373F37.6Very low63.7Low190 Ų19077.3 Ų77.383%0.83341%0.407SS*.SBendtrans-95.1-10.5-172.9-108.2-81000116.2
374D34.9Very low63.9Low117 Ų11771.5 Ų71.563%0.62638%0.379SS*.SBendtrans-139.5-3.4-175.2-115.5-52.9000115.9
375Q33.9Very low63.9Low133 Ų13372 Ų7262%0.62138%0.383SS*.SBendtrans-100.2147.9175.5-68.5-172.7-6.300111.2T377Q375-T377 PolarHBondContact O-N 3.34Å
376V33.6Very low64Low151 Ų15171.1 Ų71.192%0.91537%0.374SS*.  trans-58.9110.4-178.5-178.30000109.2E378V376-E378 PolarHBondContact O-N 2.85Å
377T42.3Very low63.7Low86 Ų8674 Ų7453%0.52839%0.392SS..PPolyproline II helixtrans-72.5127.1-173.234.70000111.7L372 Q375 M379L372-T377 HydrophobicContact CB-CG2 4.46Å; Q375-T377 PolarHBondContact O-N 3.34Å; T377-M379 PolarHBondContact O-N 2.86Å
378E48.1Very low63.4Low111 Ų11173.2 Ų73.252%0.51939%0.391SS..PPolyproline II helixtrans-51.3133.5158-67.9169.2-156.800108.8K367 V376 L380K367-E378 IonicContact NZ-OE1 3.41Å; K367-E378 PolarHBondContact NZ-OE1 3.3Å; K367-E378 IonicContact NZ-OE2 3.13Å; K367-E378 PolarHBondContact NZ-OE2 3.27Å; V376-E378 PolarHBondContact O-N 2.85Å; E378-L380 PolarHBondContact O-N 3.34Å
379M61.9Low62.2Low169 Ų16978.2 Ų78.283%0.83343%0.425SS*.PPolyproline II helixtrans-49.8132.7-166.9-62.5-162.7-63.300112.3T377 T381T377-M379 PolarHBondContact O-N 2.86Å; M379-T381 WeakPolarHBondContact O-CG2 3.36Å; M379-T381 PolarHBondContact O-N 2.95Å
380L76.6Confident61.5Low25 Ų2580.3 Ų80.313%0.13144%0.44CS..PPolyproline II helixtrans-59.1128.6177.5-179.264.3000109.1R345 E378 V383 V400R345-L380 HydrophobicContact CB-CD1 3.75Å; R345-L380 HydrophobicContact CB-CD2 4.35Å; E378-L380 PolarHBondContact O-N 3.34Å; L380-V383 HydrophobicContact CD2-CG2 3.94Å; L380-V400 HydrophobicContact CB-CG2 4.37Å; L380-V400 HydrophobicContact CD2-CG1 4.01Å; L380-V400 HydrophobicContact CD2-CG2 4.44Å; L380-V400 HydrophobicContact CG-CG1 3.88Å; L380-V400 HydrophobicContact CG-CG2 4.38Å
381T84Confident60.4Low37 Ų3782.1 Ų82.123%0.22746%0.455CS..  trans-105.3-39.6-17462.10000112.4C342 S343 M379 K401C342-T381 WeakPolarHBondContact CA-OG1 3.49Å; S343-T381 PolarHBondContact N-OG1 3.46Å; S343-T381 PolarHBondContact O-N 3.12Å; S343-T381 PolarHBondContact O-OG1 3.31Å; M379-T381 WeakPolarHBondContact O-CG2 3.36Å; M379-T381 PolarHBondContact O-N 2.95Å; T381-K401 PolarHBondContact O-N 3.4Å
382H87.7Confident60.4Low6 Ų682.8 Ų82.83%0.02846%0.463CS..EExtended strand (participates in β ladder)trans-139.2139.1-176.4-53.581.9000111.3S343 I344 R345 K401 I403 E420S343-H382 PolarHBondContact O-N 3.15Å; I344-H382 WeakPolarHBondContact CA-O 3.41Å; I344-H382 HydrophobicContact CG1-CB 4.31Å; R345-H382 PolarHBondContact N-O 3.03Å; H382-K401 CarbonylContact C-O 3.6Å; H382-K401 VanDerWaalsContact CA-O 3.31Å; H382-K401 WeakPolarHBondContact CA-O 3.24Å; H382-I403 HydrophobicContact CB-CD1 4.04Å; H382-I403 HydrophobicContact CB-CG1 4.4Å; H382-E420 IonicContact NE2-OE1 2.89Å
383V87.3Confident60.5Low4 Ų486.9 Ų86.92%0.02449%0.485CS..EExtended strand (participates in β ladder)trans-108.1116.5163.1173.90000107.6R345 L380 V385 V400 K401 Y402 I403R345-V383 HydrophobicContact CB-CG2 4.43Å; R345-V383 WeakPolarHBondContact O-CA 3.46Å; L380-V383 HydrophobicContact CD2-CG2 3.94Å; V383-V385 HydrophobicContact CG1-CG2 4.19Å; V383-V400 HydrophobicContact CG2-CG1 3.85Å; V383-K401 PolarHBondContact N-O 3.49Å; V383-Y402 HydrophobicContact CB-CD1 3.74Å; V383-Y402 HydrophobicContact CB-CE1 3.74Å; V383-Y402 HydrophobicContact CB-CG 4.3Å; V383-Y402 HydrophobicContact CG1-CD1 3.83Å; V383-Y402 HydrophobicContact CG1-CE1 3.79Å; V383-Y402 HydrophobicContact CG2-CD1 4.38Å; V383-Y402 HydrophobicContact CG2-CE1 3.89Å; V383-I403 WeakPolarHBondContact O-CG1 3.33Å; V383-I403 PolarHBondContact O-N 2.93Å
384V89.1Confident61.1Low0 Ų082.2 Ų82.20%047%0.467CS..EExtended strand (participates in β ladder)trans-90.9117.3174.6167.40000108.6I344 R345 F346 S347 Y357 I403 L408I344-V384 HydrophobicContact CG2-CB 4.39Å; I344-V384 HydrophobicContact CG2-CG2 3.84Å; R345-V384 PolarHBondContact O-N 3Å; F346-V384 WeakPolarHBondContact CA-O 3.37Å; F346-V384 HydrophobicContact CD1-CB 3.82Å; F346-V384 HydrophobicContact CD1-CG1 3.91Å; F346-V384 HydrophobicContact CE1-CB 4.04Å; F346-V384 HydrophobicContact CE1-CG1 4.08Å; S347-V384 PolarHBondContact N-O 3.34Å; Y357-V384 HydrophobicContact CD2-CG1 4.03Å; Y357-V384 HydrophobicContact CE2-CG1 4.26Å; V384-I403 WeakPolarHBondContact CA-O 3.5Å; V384-I403 HydrophobicContact CG2-CD1 3.74Å; V384-I403 HydrophobicContact CG2-CG1 3.89Å; V384-L408 HydrophobicContact CG1-CD1 4.17Å; V384-L408 HydrophobicContact CG2-CD1 4.01Å; V384-L408 HydrophobicContact CG2-CG 4.24Å
385V86.1Confident61.9Low22 Ų2281.9 Ų81.913%0.13347%0.474CS..EExtended strand (participates in β ladder)trans-97.9132.1179.7-170.30000109.8S347 D348 V383 I403 G405 I425S347-V385 VanDerWaalsContact O-CA 3.28Å; S347-V385 WeakPolarHBondContact O-CA 3.39Å; D348-V385 HydrophobicContact CB-CG1 4Å; V383-V385 HydrophobicContact CG1-CG2 4.19Å; V385-I403 PolarHBondContact N-O 3.33Å; V385-G405 PolarHBondContact O-N 3.42Å; V385-G405 VanDerWaalsContact O-N 3.1Å; V385-I425 HydrophobicContact CB-CD1 3.52Å; V385-I425 HydrophobicContact CG1-CD1 4.11Å; V385-I425 HydrophobicContact CG2-CD1 3.47Å; V385-I425 VanDerWaalsContact CG2-CD1 3.47Å
386G82.8Confident63.6Low17 Ų1780.6 Ų80.618%0.17546%0.464CS..  trans-94.1-157.9-179.800000114.6S347 D348 C349S347-G386 PolarHBondContact O-N 2.92Å; D348-G386 CarbonylContact O-C 3.57Å; D348-G386 WeakPolarHBondContact O-CA 3.22Å; C349-G386 VanDerWaalsContact SG-CA 3.54Å; C349-G386 PolarHBondContact SG-N 3.14Å; C349-G386 VanDerWaalsContact SG-N 3.43Å
387S77.1Confident65Low75 Ų7577.5 Ų77.552%0.52444%0.439SS..SBendtrans-97.222.3-170.3-53.50000114.9D348 E353D348-S387 PolarHBondContact O-N 2.8Å; E353-S387 WeakPolarHBondContact OE1-CB 3.49Å; E353-S387 PolarHBondContact OE1-N 3.09Å; E353-S387 PolarHBondContact OE1-OG 3.29Å; E353-S387 PolarHBondContact OE2-N 3.27Å; E353-S387 VanDerWaalsContact OE2-N 3.1Å
388I72.6Confident66.1Low75 Ų7583.8 Ų83.839%0.38546%0.459SS..SBendtrans-94.8125.2172-56174.8000108.9D348 K350 S390D348-I388 HydrophobicContact CB-CB 4.15Å; D348-I388 VanDerWaalsContact O-CB 3.27Å; D348-I388 WeakPolarHBondContact O-CB 3.36Å; D348-I388 WeakPolarHBondContact O-CG1 3.36Å; D348-I388 PolarHBondContact O-N 3Å; K350-I388 HydrophobicContact CG-CD1 4.25Å; K350-I388 HydrophobicContact CG-CG1 3.93Å; I388-S390 PolarHBondContact O-N 3.37Å
389P54.9Low67.2Low119 Ų11982.3 Ų82.377%0.77347%0.474SS*.  trans-72112.4176.528.4-32.9000110.9
390S54.6Low68.1Low70 Ų7075.1 Ų75.149%0.4944%0.44SS..  trans-67.7128.7-177.7-19.40000111.9D348 I388D348-S390 VanDerWaalsContact OD2-CB 3.28Å; D348-S390 WeakPolarHBondContact OD2-CB 3.43Å; D348-S390 PolarHBondContact OD2-OG 3.37Å; I388-S390 PolarHBondContact O-N 3.37Å
391S37.4Very low68.5Low116 Ų11677.1 Ų77.181%0.81145%0.447SS*.  trans-106.919.7174.872.70000113.9
392N43.3Very low68.7Low137 Ų13776.1 Ų76.173%0.73344%0.439SS*.SBendtrans-136.7140-178.4-85.8-36.8000111.2M394N392-M394 PolarHBondContact O-N 2.84Å
393N44.2Very low68.8Low165 Ų16575.9 Ų75.988%0.88244%0.438SS*.  trans-71.295.2175.4-72.3-6.1000110.5S395N393-S395 PolarHBondContact O-N 2.79Å
394M50.1Low68.8Low91 Ų9180.6 Ų80.645%0.44846%0.458SS..  trans-84.1112.5179.2-179.5159.244.200111.1S347 N392 R396S347-M394 WeakPolarHBondContact OG-CE 3.37Å; N392-M394 PolarHBondContact O-N 2.84Å; M394-R396 PolarHBondContact O-N 3.42Å; M394-R396 VanDerWaalsContact O-N 3.11Å
395S52.3Low68.6Low111 Ų11180.7 Ų80.778%0.77646%0.46SS*.  trans-54.8112.2176-52.40000111.3N393N393-S395 PolarHBondContact O-N 2.79Å
396R69Low68.7Low106 Ų10681.9 Ų81.940%0.447%0.472SS..PPolyproline II helixtrans-74.2125.1177.7-68.8-172.9178.3-168.5-1.4110.6M394 K398 Y402 I425M394-R396 PolarHBondContact O-N 3.42Å; M394-R396 VanDerWaalsContact O-N 3.11Å; R396-K398 PolarHBondContact O-N 3.03Å; R396-Y402 WeakPolarHBondContact CA-OH 3.4Å; R396-Y402 HydrophobicContact CB-CD2 4.24Å; R396-Y402 HydrophobicContact CB-CE2 3.69Å; R396-Y402 HydrophobicContact CG-CD1 4.44Å; R396-Y402 HydrophobicContact CG-CD2 4.02Å; R396-Y402 HydrophobicContact CG-CE1 4.24Å; R396-Y402 HydrophobicContact CG-CE2 3.82Å; R396-Y402 HydrophobicContact CG-CG 4.35Å; R396-I425 PolarHBondContact NH1-O 3.17Å; R396-I425 PolarHBondContact NH2-O 2.97Å; R396-I425 VanDerWaalsContact NH2-O 3.16Å
397E64.3Low69.2Low86 Ų8681.1 Ų81.140%0.40246%0.463SS..PPolyproline II helixtrans-69127.1175.2-72.4175.7-153.100110.3R345 G399 V400 Y402R345-E397 IonicContact NH1-OE1 3.37Å; R345-E397 PolarHBondContact NH1-OE1 3.24Å; E397-G399 PolarHBondContact O-N 3.34Å; E397-V400 HydrophobicContact CB-CB 4.15Å; E397-V400 HydrophobicContact CB-CG2 3.53Å; E397-V400 PolarHBondContact O-N 3.13Å; E397-Y402 PolarHBondContact N-OH 3.42Å; E397-Y402 VanDerWaalsContact N-OH 3.11Å
398K64.3Low69.8Low217 Ų21777.5 Ų77.594%0.94344%0.438SS*.THydrogen-bonded Turntrans-63.2124.6178.8-80.5-174175.7179.20110.6R396R396-K398 PolarHBondContact O-N 3.03Å
399G71.8Confident70.6Confident81 Ų8176.3 Ų76.384%0.83543%0.432SS*.THydrogen-bonded Turntrans96.1-5.7-179.400000114.9E397E397-G399 PolarHBondContact O-N 3.34Å
400V81.6Confident72.2Confident18 Ų1871.5 Ų71.511%0.10940%0.403CS..  trans-97.1129-179.9-172.70000110.6L380 V383 E397 Y402L380-V400 HydrophobicContact CB-CG2 4.37Å; L380-V400 HydrophobicContact CD2-CG1 4.01Å; L380-V400 HydrophobicContact CD2-CG2 4.44Å; L380-V400 HydrophobicContact CG-CG1 3.88Å; L380-V400 HydrophobicContact CG-CG2 4.38Å; V383-V400 HydrophobicContact CG2-CG1 3.85Å; E397-V400 HydrophobicContact CB-CB 4.15Å; E397-V400 HydrophobicContact CB-CG2 3.53Å; E397-V400 PolarHBondContact O-N 3.13Å; V400-Y402 HydrophobicContact CB-CE2 4.16Å; V400-Y402 HydrophobicContact CG1-CE2 4.35Å; V400-Y402 WeakPolarHBondContact O-CD2 3.5Å; V400-Y402 PolarHBondContact O-N 3.1Å
401K84.7Confident73.9Confident66 Ų6668.1 Ų68.129%0.28738%0.379SS..EExtended strand (participates in β ladder)trans-80.9117.9178.9-70.6-162.9174.2-161.50111.2T381 H382 V383 I403 E420 D421 L424T381-K401 PolarHBondContact O-N 3.4Å; H382-K401 CarbonylContact C-O 3.6Å; H382-K401 VanDerWaalsContact CA-O 3.31Å; H382-K401 WeakPolarHBondContact CA-O 3.24Å; V383-K401 PolarHBondContact N-O 3.49Å; K401-I403 HydrophobicContact CB-CG2 4.44Å; K401-E420 HydrophobicContact CD-CB 3.6Å; K401-E420 HydrophobicContact CD-CG 3.73Å; K401-E420 IonicContact NZ-OE2 2.66Å; K401-E420 PolarHBondContact NZ-OE2 2.85Å; K401-D421 IonicContact NZ-OD1 2.9Å; K401-D421 PolarHBondContact NZ-OD1 3.23Å; K401-D421 VanDerWaalsContact NZ-OD1 3.09Å; K401-L424 HydrophobicContact CB-CD2 4.21Å; K401-L424 HydrophobicContact CG-CD2 4.45Å
402Y87.5Confident76.4Confident17 Ų1765.7 Ų65.77%0.06735%0.352CS..EExtended strand (participates in β ladder)trans-92.3108.5175.1-73.5-100.6000110V383 R396 E397 V400 L424 I425V383-Y402 HydrophobicContact CB-CD1 3.74Å; V383-Y402 HydrophobicContact CB-CE1 3.74Å; V383-Y402 HydrophobicContact CB-CG 4.3Å; V383-Y402 HydrophobicContact CG1-CD1 3.83Å; V383-Y402 HydrophobicContact CG1-CE1 3.79Å; V383-Y402 HydrophobicContact CG2-CD1 4.38Å; V383-Y402 HydrophobicContact CG2-CE1 3.89Å; R396-Y402 WeakPolarHBondContact CA-OH 3.4Å; R396-Y402 HydrophobicContact CB-CD2 4.24Å; R396-Y402 HydrophobicContact CB-CE2 3.69Å; R396-Y402 HydrophobicContact CG-CD1 4.44Å; R396-Y402 HydrophobicContact CG-CD2 4.02Å; R396-Y402 HydrophobicContact CG-CE1 4.24Å; R396-Y402 HydrophobicContact CG-CE2 3.82Å; R396-Y402 HydrophobicContact CG-CG 4.35Å; E397-Y402 PolarHBondContact N-OH 3.42Å; E397-Y402 VanDerWaalsContact N-OH 3.11Å; V400-Y402 HydrophobicContact CB-CE2 4.16Å; V400-Y402 HydrophobicContact CG1-CE2 4.35Å; V400-Y402 WeakPolarHBondContact O-CD2 3.5Å; V400-Y402 PolarHBondContact O-N 3.1Å; Y402-L424 WeakPolarHBondContact O-CA 3.14Å; Y402-I425 PolarHBondContact O-N 2.8Å
403I89.1Confident78.5Confident0 Ų064.1 Ų64.10%034%0.344CS..EExtended strand (participates in β ladder)trans-127.3151.5-168.249.1165.7000112.3H382 V383 V384 V385 K401 W407 E420 Y423 L424H382-I403 HydrophobicContact CB-CD1 4.04Å; H382-I403 HydrophobicContact CB-CG1 4.4Å; V383-I403 WeakPolarHBondContact O-CG1 3.33Å; V383-I403 PolarHBondContact O-N 2.93Å; V384-I403 WeakPolarHBondContact CA-O 3.5Å; V384-I403 HydrophobicContact CG2-CD1 3.74Å; V384-I403 HydrophobicContact CG2-CG1 3.89Å; V385-I403 PolarHBondContact N-O 3.33Å; K401-I403 HydrophobicContact CB-CG2 4.44Å; I403-W407 HydrophobicContact CD1-CB 4.21Å; I403-W407 HydrophobicContact CD1-CD2 3.62Å; I403-W407 HydrophobicContact CD1-CE3 3.29Å; I403-W407 HydrophobicContact CD1-CG 4.04Å; I403-W407 HydrophobicContact CD1-CZ3 3.79Å; I403-E420 HydrophobicContact CG2-CB 4.06Å; I403-Y423 WeakPolarHBondContact CA-O 3.3Å; I403-L424 HydrophobicContact CG2-CD2 3.91Å
404K89Confident80.4Confident103 Ų10359.6 Ų59.645%0.44833%0.325SS..EExtended strand (participates in β ladder)trans-74.8144.4174.9-60.9169.4-172.11650110.9A406 W407 Y423 I425K404-A406 PolarHBondContact O-N 3.18Å; K404-W407 WeakPolarHBondContact O-CB 3.4Å; K404-W407 PolarHBondContact O-N 3.38Å; K404-Y423 PolarHBondContact N-O 2.98Å; K404-I425 HydrophobicContact CG-CD1 4.25Å; K404-I425 HydrophobicContact CG-CG1 3.79Å
405G84.7Confident82Confident3 Ų362.8 Ų62.83%0.03134%0.337CS..THydrogen-bonded Turntrans-54.9-19.1176.300000116.4V385 W407 L408V385-G405 PolarHBondContact O-N 3.42Å; V385-G405 VanDerWaalsContact O-N 3.1Å; G405-W407 PolarHBondContact O-N 3.1Å; G405-L408 PolarHBondContact O-N 3.48Å
406A87.7Confident83.5Confident47 Ų4762 Ų6239%0.38833%0.327SS..Hα-helixtrans-57.4-27.1170.200000114.1K404 L409 A410 Y423K404-A406 PolarHBondContact O-N 3.18Å; A406-L409 PolarHBondContact O-N 2.99Å; A406-A410 WeakPolarHBondContact O-CB 3.24Å; A406-A410 PolarHBondContact O-N 3.1Å; A406-Y423 HydrophobicContact CB-CD1 4.06Å; A406-Y423 HydrophobicContact CB-CE1 4.06Å
407W92.9Very high84.3Confident0 Ų061.9 Ų61.90%033%0.326CS..Hα-helixtrans-62.6-42.5177.1-179.875.6000112.5L339 I344 I403 K404 G405 L409 A410 C411 R417 I418 E420 Y423L339-W407 HydrophobicContact CD2-CH2 3.45Å; L339-W407 VanDerWaalsContact CD2-CH2 3.45Å; L339-W407 HydrophobicContact CD2-CZ2 4.21Å; L339-W407 HydrophobicContact CD2-CZ3 3.86Å; I344-W407 HydrophobicContact CD1-CZ3 4.29Å; I403-W407 HydrophobicContact CD1-CB 4.21Å; I403-W407 HydrophobicContact CD1-CD2 3.62Å; I403-W407 HydrophobicContact CD1-CE3 3.29Å; I403-W407 HydrophobicContact CD1-CG 4.04Å; I403-W407 HydrophobicContact CD1-CZ3 3.79Å; K404-W407 WeakPolarHBondContact O-CB 3.4Å; K404-W407 PolarHBondContact O-N 3.38Å; G405-W407 PolarHBondContact O-N 3.1Å; W407-L409 VanDerWaalsContact C-N 3.35Å; W407-L409 PolarHBondContact O-N 3.17Å; W407-A410 PolarHBondContact O-N 3.37Å; W407-C411 VanDerWaalsContact CE2-SG 3.59Å; W407-C411 WeakPolarHBondContact O-CB 2.98Å; W407-C411 PolarHBondContact O-N 2.84Å; W407-C411 PolarHBondContact O-SG 3.3Å; W407-C411 VanDerWaalsContact O-SG 3.37Å; W407-R417 HydrophobicContact CZ2-CG 4.24Å; W407-I418 PolarHBondContact NE1-O 3.29Å; W407-E420 HydrophobicContact CZ2-CG 3.77Å; W407-Y423 HydrophobicContact CB-CD1 3.81Å; W407-Y423 HydrophobicContact CB-CD2 4.4Å; W407-Y423 HydrophobicContact CB-CG 3.73Å; W407-Y423 AromaticContact CD1-CD2 3.72Å; W407-Y423 AromaticContact CD1-CG 3.9Å; W407-Y423 HydrophobicContact CG-CD2 4.47Å; W407-Y423 HydrophobicContact CG-CG 4.23Å
408L89.1Confident85.5Confident0 Ų059.2 Ų59.20%032%0.315CS..Hα-helixtrans-64.6-41178.1-73.3177.3000111.6L339 I344 F346 Y357 I360 V361 V384 G405 R412L339-L408 HydrophobicContact CD1-CD2 3.74Å; I344-L408 HydrophobicContact CD1-CD2 4.27Å; F346-L408 HydrophobicContact CE1-CD1 3.98Å; Y357-L408 HydrophobicContact CD1-CB 4.47Å; Y357-L408 HydrophobicContact CD1-CD1 4.17Å; Y357-L408 HydrophobicContact CG-CD1 3.98Å; I360-L408 HydrophobicContact CG2-CB 4.02Å; I360-L408 WeakPolarHBondContact CG2-O 3.24Å; V361-L408 HydrophobicContact CG2-CD1 3.78Å; V361-L408 HydrophobicContact CG2-CD2 3.83Å; V384-L408 HydrophobicContact CG1-CD1 4.17Å; V384-L408 HydrophobicContact CG2-CD1 4.01Å; V384-L408 HydrophobicContact CG2-CG 4.24Å; G405-L408 PolarHBondContact O-N 3.48Å; L408-R412 PolarHBondContact O-N 3.17Å
409L90.3Very high86.5Confident49 Ų4952.8 Ų52.826%0.25730%0.295SS..Hα-helixtrans-59.9-51.9174.9-65.2169.2000110.4L356 Y357 I360 A406 W407 C411 R412 D413L356-L409 HydrophobicContact CD2-CD2 4.31Å; Y357-L409 HydrophobicContact CE1-CG 4.4Å; I360-L409 HydrophobicContact CD1-CD2 3.64Å; I360-L409 HydrophobicContact CD1-CG 4.4Å; A406-L409 PolarHBondContact O-N 2.99Å; W407-L409 VanDerWaalsContact C-N 3.35Å; W407-L409 PolarHBondContact O-N 3.17Å; L409-C411 PolarHBondContact O-N 3.37Å; L409-R412 PolarHBondContact O-N 2.78Å; L409-R412 VanDerWaalsContact O-N 3.14Å; L409-D413 WeakPolarHBondContact O-CB 3.48Å; L409-D413 PolarHBondContact O-N 2.72Å
410A88.4Confident87.1Confident18 Ų1849.7 Ų49.715%0.14926%0.259CS..Hα-helixtrans-64-39-178.200000112.9A406 W407 D413 S414 I418 Y423A406-A410 WeakPolarHBondContact O-CB 3.24Å; A406-A410 PolarHBondContact O-N 3.1Å; W407-A410 PolarHBondContact O-N 3.37Å; A410-D413 PolarHBondContact O-N 2.78Å; A410-S414 VanDerWaalsContact O-CB 3.25Å; A410-S414 WeakPolarHBondContact O-CB 3.48Å; A410-S414 PolarHBondContact O-N 2.91Å; A410-S414 PolarHBondContact O-OG 3.18Å; A410-I418 VanDerWaalsContact C-CD1 3.44Å; A410-I418 HydrophobicContact CB-CD1 3.54Å; A410-I418 WeakPolarHBondContact O-CD1 3.48Å; A410-Y423 HydrophobicContact CB-CE1 4.22Å; A410-Y423 WeakPolarHBondContact CB-OH 3.29Å
411C90.1Very high87.1Confident0 Ų053.8 Ų53.80%028%0.28CS..Hα-helixtrans-62.1-37.9172.7-78.40000113.2L364 W407 L409 K415 V416 I418L364-C411 HydrophobicContact CD1-CB 4.04Å; W407-C411 VanDerWaalsContact CE2-SG 3.59Å; W407-C411 WeakPolarHBondContact O-CB 2.98Å; W407-C411 PolarHBondContact O-N 2.84Å; W407-C411 PolarHBondContact O-SG 3.3Å; W407-C411 VanDerWaalsContact O-SG 3.37Å; L409-C411 PolarHBondContact O-N 3.37Å; C411-K415 WeakPolarHBondContact O-CA 3.06Å; C411-K415 PolarHBondContact O-N 2.83Å; C411-K415 VanDerWaalsContact O-N 3.16Å; C411-V416 PolarHBondContact O-N 3.22Å; C411-I418 PolarHBondContact SG-N 3.4Å
412R89.2Confident86.9Confident64 Ų6458.4 Ų58.424%0.24230%0.303CS..Hα-helixtrans-69.2-52.3174-176.3-16559.3-157.3-7.2110.8I360 E363 L364 L408 L409 S414 K415I360-R412 HydrophobicContact CG2-CB 3.99Å; E363-R412 VanDerWaalsContact OE2-CD 3.31Å; E363-R412 WeakPolarHBondContact OE2-CD 3.38Å; L364-R412 HydrophobicContact CD1-CB 4.05Å; L364-R412 HydrophobicContact CD2-CB 4.41Å; L364-R412 HydrophobicContact CD2-CG 4.47Å; L408-R412 PolarHBondContact O-N 3.17Å; L409-R412 PolarHBondContact O-N 2.78Å; L409-R412 VanDerWaalsContact O-N 3.14Å; R412-S414 VanDerWaalsContact C-N 3.25Å; R412-S414 PolarHBondContact O-N 2.87Å; R412-K415 WeakPolarHBondContact O-CG 3.44Å; R412-K415 PolarHBondContact O-N 3.33Å
413D88.1Confident86.8Confident105 Ų10559.9 Ų59.956%0.56131%0.309SS*.Hα-helixtrans-67.5-30.3-170.1-60.9-13000111L409 A410L409-D413 WeakPolarHBondContact O-CB 3.48Å; L409-D413 PolarHBondContact O-N 2.72Å; A410-D413 PolarHBondContact O-N 2.78Å
414S84Confident86.5Confident70 Ų7063 Ų6349%0.4933%0.325SS..THydrogen-bonded Turntrans-89.5-10.8173.5-50.90000114.6A410 R412 V416A410-S414 VanDerWaalsContact O-CB 3.25Å; A410-S414 WeakPolarHBondContact O-CB 3.48Å; A410-S414 PolarHBondContact O-N 2.91Å; A410-S414 PolarHBondContact O-OG 3.18Å; R412-S414 VanDerWaalsContact C-N 3.25Å; R412-S414 PolarHBondContact O-N 2.87Å; S414-V416 PolarHBondContact O-N 3.33Å; S414-V416 VanDerWaalsContact O-N 3.14Å
415K83.4Confident86Confident158 Ų15860.1 Ų60.169%0.68731%0.314SS*.THydrogen-bonded Turntrans53.227-176.6-57.3-175.5178.5-1770115.2I338 C411 R412I338-K415 VanDerWaalsContact CD1-C 3.5Å; I338-K415 HydrophobicContact CD1-CB 4.47Å; I338-K415 VanDerWaalsContact CD1-O 3.24Å; I338-K415 WeakPolarHBondContact CD1-O 3.44Å; C411-K415 WeakPolarHBondContact O-CA 3.06Å; C411-K415 PolarHBondContact O-N 2.83Å; C411-K415 VanDerWaalsContact O-N 3.16Å; R412-K415 WeakPolarHBondContact O-CG 3.44Å; R412-K415 PolarHBondContact O-N 3.33Å
416V85.1Confident85Confident95 Ų9564.7 Ų64.758%0.57634%0.343SS*.SBendtrans-144148.9178.9179.80000107.6C411 S414 I418C411-V416 PolarHBondContact O-N 3.22Å; S414-V416 PolarHBondContact O-N 3.33Å; S414-V416 VanDerWaalsContact O-N 3.14Å; V416-I418 PolarHBondContact O-N 3.33Å; V416-I418 VanDerWaalsContact O-N 3.14Å
417R86.1Confident83.4Confident102 Ų10270.2 Ų70.239%0.38536%0.361SS..  trans-69.4110.5175.1-177.2175.6173.8170.9-2109.3I338 C342 W407 E420I338-R417 HydrophobicContact CG2-CB 4.14Å; C342-R417 PolarHBondContact SG-NH1 3.43Å; C342-R417 VanDerWaalsContact SG-NH1 3.35Å; W407-R417 HydrophobicContact CZ2-CG 4.24Å; R417-E420 IonicContact CZ-OE1 3.59Å; R417-E420 IonicContact NE-OE1 2.7Å; R417-E420 PolarHBondContact NE-OE1 3.07Å; R417-E420 IonicContact NH2-OE1 2.63Å; R417-E420 PolarHBondContact NH2-OE1 3.45Å
418I87.5Confident81Confident31 Ų3177.4 Ų77.416%0.15940%0.398CS..  trans-77.8142175.6-62.4-176.5000108.9W407 A410 C411 V416 E420 Y423W407-I418 PolarHBondContact NE1-O 3.29Å; A410-I418 VanDerWaalsContact C-CD1 3.44Å; A410-I418 HydrophobicContact CB-CD1 3.54Å; A410-I418 WeakPolarHBondContact O-CD1 3.48Å; C411-I418 PolarHBondContact SG-N 3.4Å; V416-I418 PolarHBondContact O-N 3.33Å; V416-I418 VanDerWaalsContact O-N 3.14Å; I418-E420 PolarHBondContact O-N 3.28Å; I418-Y423 HydrophobicContact CG2-CE2 3.77Å
419P85.4Confident78.1Confident82 Ų8283.8 Ų83.853%0.53243%0.432SS..  trans-50.9136.3172.2-27.435.8000111.8D421P419-D421 PolarHBondContact O-N 2.8Å
420E84.8Confident75.4Confident15 Ų1589.6 Ų89.67%0.0746%0.458CS..SBendtrans-72-17.5-176.7-59.781.9-16100112.8H382 K401 I403 W407 R417 I418 E422 Y423 L424H382-E420 IonicContact NE2-OE1 2.89Å; K401-E420 HydrophobicContact CD-CB 3.6Å; K401-E420 HydrophobicContact CD-CG 3.73Å; K401-E420 IonicContact NZ-OE2 2.66Å; K401-E420 PolarHBondContact NZ-OE2 2.85Å; I403-E420 HydrophobicContact CG2-CB 4.06Å; W407-E420 HydrophobicContact CZ2-CG 3.77Å; R417-E420 IonicContact CZ-OE1 3.59Å; R417-E420 IonicContact NE-OE1 2.7Å; R417-E420 PolarHBondContact NE-OE1 3.07Å; R417-E420 IonicContact NH2-OE1 2.63Å; R417-E420 PolarHBondContact NH2-OE1 3.45Å; I418-E420 PolarHBondContact O-N 3.28Å; E420-E422 PolarHBondContact O-N 3.21Å; E420-Y423 CarbonylContact O-C 3.56Å; E420-Y423 WeakPolarHBondContact O-CA 3.45Å; E420-Y423 PolarHBondContact O-N 3.29Å; E420-L424 PolarHBondContact O-N 3.22Å; E420-L424 VanDerWaalsContact O-N 3.08Å
421D81.1Confident72.4Confident104 Ų10494.4 Ų94.456%0.55648%0.481SS*.G310 helixtrans-68.9-33-160.7-49.7-40.3000113.3K401 P419 Y423 L424K401-D421 IonicContact NZ-OD1 2.9Å; K401-D421 PolarHBondContact NZ-OD1 3.23Å; K401-D421 VanDerWaalsContact NZ-OD1 3.09Å; P419-D421 PolarHBondContact O-N 2.8Å; D421-Y423 PolarHBondContact O-N 2.96Å; D421-L424 HydrophobicContact CB-CD1 4.41Å
422E81.2Confident69.5Low164 Ų164104.5 Ų104.577%0.76653%0.525SS*.G310 helixtrans-70.2-17.5172.4-64.1-176.9175.700113.3E420E420-E422 PolarHBondContact O-N 3.21Å
423Y85.6Confident66.7Low48 Ų48108.8 Ų108.819%0.18855%0.548CS..G310 helixtrans-110-2.9-174.2-61.4-96.1000113.2I403 K404 A406 W407 A410 I418 E420 D421I403-Y423 WeakPolarHBondContact CA-O 3.3Å; K404-Y423 PolarHBondContact N-O 2.98Å; A406-Y423 HydrophobicContact CB-CD1 4.06Å; A406-Y423 HydrophobicContact CB-CE1 4.06Å; W407-Y423 HydrophobicContact CB-CD1 3.81Å; W407-Y423 HydrophobicContact CB-CD2 4.4Å; W407-Y423 HydrophobicContact CB-CG 3.73Å; W407-Y423 AromaticContact CD1-CD2 3.72Å; W407-Y423 AromaticContact CD1-CG 3.9Å; W407-Y423 HydrophobicContact CG-CD2 4.47Å; W407-Y423 HydrophobicContact CG-CG 4.23Å; A410-Y423 HydrophobicContact CB-CE1 4.22Å; A410-Y423 WeakPolarHBondContact CB-OH 3.29Å; I418-Y423 HydrophobicContact CG2-CE2 3.77Å; E420-Y423 CarbonylContact O-C 3.56Å; E420-Y423 WeakPolarHBondContact O-CA 3.45Å; E420-Y423 PolarHBondContact O-N 3.29Å; D421-Y423 PolarHBondContact O-N 2.96Å
424L83.9Confident63.6Low65 Ų65112.1 Ų112.134%0.3455%0.553SS.*BIsolated β-bridgetrans-58.1148.6173.7-73.1172.7000111.5K401 Y402 I403 E420 D421K401-L424 HydrophobicContact CB-CD2 4.21Å; K401-L424 HydrophobicContact CG-CD2 4.45Å; Y402-L424 WeakPolarHBondContact O-CA 3.14Å; I403-L424 HydrophobicContact CG2-CD2 3.91Å; E420-L424 PolarHBondContact O-N 3.22Å; E420-L424 VanDerWaalsContact O-N 3.08Å; D421-L424 HydrophobicContact CB-CD1 4.41Å
425I77.2Confident61Low42 Ų42117.3 Ų117.322%0.21557%0.574CS.*  trans-93.9111.5174.5-61.5170000107.8V385 R396 Y402 K404V385-I425 HydrophobicContact CB-CD1 3.52Å; V385-I425 HydrophobicContact CG1-CD1 4.11Å; V385-I425 HydrophobicContact CG2-CD1 3.47Å; V385-I425 VanDerWaalsContact CG2-CD1 3.47Å; R396-I425 PolarHBondContact NH1-O 3.17Å; R396-I425 PolarHBondContact NH2-O 2.97Å; R396-I425 VanDerWaalsContact NH2-O 3.16Å; Y402-I425 PolarHBondContact O-N 2.8Å; K404-I425 HydrophobicContact CG-CD1 4.25Å; K404-I425 HydrophobicContact CG-CG1 3.79Å
426P64.4Low58.1Low99 Ų99115.8 Ų115.864%0.64357%0.57SS**  trans-55.8148.5-171.122.4-33.5000111.8
427E53.4Low55.3Low164 Ų164119.2 Ų119.277%0.76658%0.584SS**  trans-76.4130.5179.5-60.2-171.7141.100109.8N429E427-N429 PolarHBondContact O-N 3Å
428I43.8Very low52.3Low151 Ų151123 Ų12377%0.77461%0.607SS**  trans-77.6115.3175.1-62177.8000107.3E430I428-E430 HydrophobicContact CG2-CG 4.34Å; I428-E430 PolarHBondContact O-N 3.35Å; I428-E430 VanDerWaalsContact O-N 3.1Å
429N27.8Very low49.4Very low133 Ų133128.3 Ų128.371%0.71164%0.64SS**  trans-84.679.1-169.4-174.919.6000111.9E427 N431E427-N429 PolarHBondContact O-N 3Å; N429-N431 VanDerWaalsContact C-N 3.34Å; N429-N431 PolarHBondContact O-N 3.12Å
430E32.8Very low46.5Very low171 Ų171131.2 Ų131.280%0.79965%0.651SS**  trans-77.580.8175.8-66.5-155.6152.900112.4I428 F432I428-E430 HydrophobicContact CG2-CG 4.34Å; I428-E430 PolarHBondContact O-N 3.35Å; I428-E430 VanDerWaalsContact O-N 3.1Å; E430-F432 PolarHBondContact O-N 3.47Å; E430-F432 VanDerWaalsContact O-N 3.13Å
431N24.8Very low43.6Very low119 Ų119136.1 Ų136.164%0.63668%0.682SS**  trans-7096.2163.3-95.3-48.4000110.6N429N429-N431 VanDerWaalsContact C-N 3.34Å; N429-N431 PolarHBondContact O-N 3.12Å
432F30.9Very low40.9Very low212 Ų212137.5 Ų137.593%0.9369%0.694SS**  trans-135.7126153.5-103.4-79.9000111.2E430E430-F432 PolarHBondContact O-N 3.47Å; E430-F432 VanDerWaalsContact O-N 3.13Å
433Q28.7Very low38.2Very low155 Ų155134.4 Ų134.472%0.72469%0.691SS**  trans-95.2132.4-174.4-71.9-179.2-3500112.1
434R24.3Very low35.4Very low174 Ų174137.7 Ų137.766%0.65772%0.716SS**  trans50121.2142.9-64.6-179.3164.6112.94.1119.1E436R434-E436 HydrophobicContact CG-CG 4.22Å; R434-E436 IonicContact CZ-OE1 3.51Å; R434-E436 IonicContact NE-OE1 3.15Å; R434-E436 PolarHBondContact NE-OE1 2.96Å; R434-E436 IonicContact NE-OE2 2.77Å; R434-E436 IonicContact NH2-OE1 4Å; R434-E436 PolarHBondContact NH2-OE1 3.22Å
435L28Very low32.7Very low180 Ų180140.8 Ų140.894%0.94273%0.733SS**  -129.7144.996-103157.9000108.4
436E23.6Very low30.2Very low126 Ų126147.1 Ų147.159%0.58977%0.765SS**  trans-106.2148.8-170-67.6164169.400109.8R434R434-E436 HydrophobicContact CG-CG 4.22Å; R434-E436 IonicContact CZ-OE1 3.51Å; R434-E436 IonicContact NE-OE1 3.15Å; R434-E436 PolarHBondContact NE-OE1 2.96Å; R434-E436 IonicContact NE-OE2 2.77Å; R434-E436 IonicContact NH2-OE1 4Å; R434-E436 PolarHBondContact NH2-OE1 3.22Å
437D25.6Very low28.6Very low166 Ų166147.9 Ų147.989%0.88876%0.764SS**  trans-162.7159.2137.4-99-24.2000109.7
438E24.1Very low27.6Very low182 Ų182142.4 Ų142.485%0.8575%0.747SS**  trans-59.5152.9-162.7-54.5179.8141.700114.6
439V27.1Very low27.1Very low142 Ų142138.4 Ų138.486%0.86174%0.736SS**  -156.3161.972158.70000112.7
440D22.9Very low27.4Very low144 Ų144136.5 Ų136.577%0.7773%0.726SS**  trans-72.8167.9-162.6-154.55.9000118.1
441V24.1Very low27.5Very low117 Ų117135.2 Ų135.271%0.70972%0.718SS**  trans-34.6134.5175.3167.70000116.9
442T24.3Very low28.1Very low134 Ų134136.1 Ų136.182%0.82272%0.718SS**  -160.2157.3129.63.40000113.5
443S25.6Very low28.4Very low98 Ų98128.3 Ų128.369%0.68569%0.686SS**  trans-85.5112-179.553.10000113
444T26.8Very low28.7Very low117 Ų117125.5 Ų125.572%0.71868%0.675SS**  trans-97.1109.3163.254.30000107.7
445N26.1Very low29.3Very low131 Ų131118.5 Ų118.570%0.70165%0.651SS**  cis48.1120.345.1-88.1-14.5000112D447N445-D447 VanDerWaalsContact C-N 3.33Å; N445-D447 PolarHBondContact O-N 3.25Å
446I26.3Very low29.6Very low175 Ų175114.6 Ų114.690%0.89763%0.628SS**SBendtrans-78.687.5-173.2-58.5175.8000108.2
447D29.9Very low30Very low114 Ų114111.7 Ų111.761%0.6161%0.612SS**  trans-86164.5-160.8-126-40000114.6N445 A449N445-D447 VanDerWaalsContact C-N 3.33Å; N445-D447 PolarHBondContact O-N 3.25Å; D447-A449 PolarHBondContact O-N 2.8Å
448A32.7Very low30.4Very low50 Ų50107.6 Ų107.641%0.41359%0.586SS.*THydrogen-bonded Turntrans-36.5-12.1-170.100000121.2F451 Q452A448-F451 PolarHBondContact O-N 2.76Å; A448-Q452 WeakPolarHBondContact O-CG 3.4Å; A448-Q452 PolarHBondContact O-N 3.19Å
449A33.1Very low30.9Very low67 Ų67103.8 Ų103.855%0.55458%0.575SS**Hα-helixtrans-60.6-47.8-173.400000113.8D447 F451 Q452 L453D447-A449 PolarHBondContact O-N 2.8Å; A449-F451 VanDerWaalsContact C-N 3.32Å; A449-F451 PolarHBondContact O-N 3.07Å; A449-Q452 PolarHBondContact O-N 3.21Å; A449-L453 PolarHBondContact O-N 2.91Å
450D33.4Very low30.9Very low92 Ų9299.7 Ų99.749%0.49256%0.562SS.*Hα-helixtrans-64.1-38.9179.8-78.2-10.7000111.6L453 I454D450-L453 PolarHBondContact O-N 3.07Å; D450-I454 PolarHBondContact O-N 3.19Å
451F34.3Very low31Very low145 Ų14595.8 Ų95.864%0.63656%0.556SS**Hα-helixtrans-67.4-35.7171.7-94-76.5000112.3A448 A449 N455A448-F451 PolarHBondContact O-N 2.76Å; A449-F451 VanDerWaalsContact C-N 3.32Å; A449-F451 PolarHBondContact O-N 3.07Å; F451-N455 VanDerWaalsContact O-CB 3.31Å; F451-N455 WeakPolarHBondContact O-CB 3.41Å; F451-N455 PolarHBondContact O-N 2.9Å; F451-N455 PolarHBondContact O-ND2 2.63Å
452Q37.9Very low31.1Very low137 Ų13796.7 Ų96.764%0.6456%0.556SS**Hα-helixtrans-67.1-37.4174.9-77.8-174.87.300112.3A448 A449 N455 Q456A448-Q452 WeakPolarHBondContact O-CG 3.4Å; A448-Q452 PolarHBondContact O-N 3.19Å; A449-Q452 PolarHBondContact O-N 3.21Å; Q452-N455 CarbonylContact O-C 3.49Å; Q452-N455 PolarHBondContact O-N 2.99Å; Q452-N455 VanDerWaalsContact O-N 3.17Å; Q452-Q456 PolarHBondContact O-N 3.31Å
453L38.4Very low31.1Very low48 Ų4892.1 Ų92.125%0.25153%0.532SS..Hα-helixtrans-65-41.9178.9-15776.8000111.8A449 D450 Q456 L638 V642A449-L453 PolarHBondContact O-N 2.91Å; D450-L453 PolarHBondContact O-N 3.07Å; L453-Q456 PolarHBondContact O-N 3.3Å; L453-L638 HydrophobicContact CD2-CD2 4.47Å; L453-V642 HydrophobicContact CD2-CG2 3.32Å
454I33.9Very low31.1Very low96 Ų9692 Ų9249%0.49252%0.524SS..Hα-helixtrans-61.4-48.7169.2-69.5172.9000110.1D450 Q456 Y457 F458D450-I454 PolarHBondContact O-N 3.19Å; I454-Q456 PolarHBondContact O-N 3.39Å; I454-Q456 VanDerWaalsContact O-N 3.12Å; I454-Y457 PolarHBondContact O-N 3.47Å; I454-F458 HydrophobicContact CG2-CD2 3.94Å; I454-F458 HydrophobicContact CG2-CE2 3.88Å; I454-F458 VanDerWaalsContact O-CD2 3.24Å; I454-F458 WeakPolarHBondContact O-CD2 3.44Å
455N36.3Very low31Very low28 Ų2892.2 Ų92.215%0.1552%0.52CS..Hα-helixtrans-64.1-18.1-177.5-82.6-64.2000114.9T111 G112 F451 Q452 Y457T111-N455 WeakPolarHBondContact CA-OD1 3.38Å; T111-N455 VanDerWaalsContact CB-OD1 3.24Å; T111-N455 WeakPolarHBondContact CB-OD1 3.25Å; G112-N455 PolarHBondContact N-OD1 3.43Å; F451-N455 VanDerWaalsContact O-CB 3.31Å; F451-N455 WeakPolarHBondContact O-CB 3.41Å; F451-N455 PolarHBondContact O-N 2.9Å; F451-N455 PolarHBondContact O-ND2 2.63Å; Q452-N455 CarbonylContact O-C 3.49Å; Q452-N455 PolarHBondContact O-N 2.99Å; Q452-N455 VanDerWaalsContact O-N 3.17Å; N455-Y457 PolarHBondContact O-N 2.84Å
456Q35.4Very low31Very low97 Ų9790.8 Ų90.845%0.45351%0.509SS..THydrogen-bonded Turntrans-71.5-11.2173.1-168.2156.850.900113.2Q452 L453 I454Q452-Q456 PolarHBondContact O-N 3.31Å; L453-Q456 PolarHBondContact O-N 3.3Å; I454-Q456 PolarHBondContact O-N 3.39Å; I454-Q456 VanDerWaalsContact O-N 3.12Å
457Y31.5Very low31Very low66 Ų6686.3 Ų86.326%0.25948%0.483SS..THydrogen-bonded Turntrans-101.6-18.3178.9-99.2-68.9000116.1I454 N455 F637 A665 W669I454-Y457 PolarHBondContact O-N 3.47Å; N455-Y457 PolarHBondContact O-N 2.84Å; Y457-F637 VanDerWaalsContact CE2-O 3.26Å; Y457-F637 WeakPolarHBondContact CE2-O 3.11Å; Y457-F637 WeakPolarHBondContact OH-CB 3.23Å; Y457-F637 WeakPolarHBondContact OH-CD1 3.46Å; Y457-F637 PolarHBondContact OH-O 3.25Å; Y457-A665 HydrophobicContact CE1-CB 4.32Å; Y457-W669 HydrophobicContact CE1-CH2 4.37Å; Y457-W669 AromaticContact CE2-CH2 3.65Å; Y457-W669 HydrophobicContact CE2-CH2 3.65Å; Y457-W669 HydrophobicContact CE2-CZ2 4.26Å; Y457-W669 AromaticContact CZ-CH2 3.45Å; Y457-W669 VanDerWaalsContact CZ-CH2 3.45Å; Y457-W669 WeakPolarHBondContact OH-CH2 3.43Å; Y457-W669 WeakPolarHBondContact OH-CZ3 3.3Å
458F35Very low30.7Very low80 Ų8086.1 Ų86.135%0.35148%0.479SS..  trans-117.843.8-167.1-61.4-78.5000113.7T111 I454 G460T111-F458 WeakPolarHBondContact CB-O 3.34Å; T111-F458 HydrophobicContact CG2-CB 3.58Å; T111-F458 WeakPolarHBondContact CG2-O 3.35Å; T111-F458 PolarHBondContact OG1-O 3.1Å; I454-F458 HydrophobicContact CG2-CD2 3.94Å; I454-F458 HydrophobicContact CG2-CE2 3.88Å; I454-F458 VanDerWaalsContact O-CD2 3.24Å; I454-F458 WeakPolarHBondContact O-CD2 3.44Å; F458-G460 PolarHBondContact O-N 3.06Å
459T33.5Very low30.3Very low101 Ų10188.9 Ų88.962%0.6249%0.487SS*.SBendtrans-8859.6167.556.90000110.9A113A113-T459 HydrophobicContact CB-CG2 3.82Å
460G26.6Very low29.8Very low56 Ų5692.9 Ų92.958%0.57749%0.494SS*.SBendtrans172.5140.7-176.900000109.9F458F458-G460 PolarHBondContact O-N 3.06Å
461G25.6Very low29.3Very low62 Ų6293.6 Ų93.664%0.63951%0.513SS*.  trans-70.7150.9-168.400000115.3
462L25.9Very low28.9Very low137 Ų13792.2 Ų92.272%0.71752%0.516SS*.  trans39.8100.5159.6-66.5174.7000118.1R661L462-R661 VanDerWaalsContact C-NH2 3.29Å; L462-R661 PolarHBondContact O-NH2 3.32Å
463A25.8Very low28.2Very low38 Ų3894.2 Ų94.231%0.31453%0.525SS..  -171.4134.9118.500000107.4R661A463-R661 VanDerWaalsContact CB-NH2 3.31Å; A463-R661 PolarHBondContact O-NH1 3.03Å
464D24.7Very low27.5Very low96 Ų9698.6 Ų98.651%0.51355%0.554SS.*  trans-74.9134.5161.8-65.5-51.1000106.8K144 G231K144-D464 IonicContact NZ-OD2 3.24Å; K144-D464 PolarHBondContact NZ-OD2 2.82Å; G231-D464 WeakPolarHBondContact CA-O 3.37Å
465D24.3Very low27.1Very low121 Ų121105.4 Ų105.465%0.64757%0.574SS**  trans-154.3159.9179.2-123.4-29.6000110
466E26.9Very low26.6Very low100 Ų100107.7 Ų107.747%0.46760%0.604SS.*  trans67.5115.8-175.4-85.4168.2-164.700117.9K662E466-K662 WeakPolarHBondContact OE1-CE 3.39Å; E466-K662 IonicContact OE1-NZ 3.88Å; E466-K662 PolarHBondContact OE1-NZ 3.13Å; E466-K662 WeakPolarHBondContact OE2-CE 3.27Å; E466-K662 IonicContact OE2-NZ 2.96Å; E466-K662 PolarHBondContact OE2-NZ 3.24Å
467F25.3Very low26Very low81 Ų81109.9 Ų109.936%0.35562%0.623SS.*  trans-82.4140176.4-110.8-81.2000113.2I230 K251 W252 K253I230-F467 HydrophobicContact CD1-CD2 3.88Å; I230-F467 HydrophobicContact CG1-CD2 4.09Å; K251-F467 WeakPolarHBondContact O-CD1 3.35Å; K251-F467 VanDerWaalsContact O-CE1 3.3Å; K251-F467 WeakPolarHBondContact O-CE1 3.31Å; W252-F467 VanDerWaalsContact CA-CE1 3.44Å; W252-F467 HydrophobicContact CB-CD2 4.46Å; W252-F467 HydrophobicContact CB-CE2 4.08Å; W252-F467 HydrophobicContact CB-CZ 4.29Å; W252-F467 VanDerWaalsContact O-CE2 3.28Å; W252-F467 WeakPolarHBondContact O-CE2 3.26Å; W252-F467 WeakPolarHBondContact O-CZ 3.38Å; K253-F467 HydrophobicContact CB-CE1 3.74Å; K253-F467 HydrophobicContact CB-CZ 3.77Å; K253-F467 HydrophobicContact CD-CE1 3.87Å; K253-F467 HydrophobicContact CG-CE1 3.74Å; K253-F467 HydrophobicContact CG-CZ 4.3Å
468Q24.1Very low25.7Very low111 Ų111114.1 Ų114.152%0.51965%0.649SS.*  trans-107.9118.6149.2-67.8-166-51.300108.3K253K253-Q468 WeakPolarHBondContact CE-O 3.44Å; K253-Q468 PolarHBondContact NZ-O 3.28Å
469D23.9Very low25.3Very low108 Ų108119.3 Ų119.358%0.57868%0.675SS**  175.488.6122.5-81.1-2.5000109.9K253K253-D469 WeakPolarHBondContact CE-OD2 3.17Å; K253-D469 IonicContact NZ-OD1 3.72Å; K253-D469 PolarHBondContact NZ-OD1 2.86Å; K253-D469 IonicContact NZ-OD2 2.72Å; K253-D469 PolarHBondContact NZ-OD2 3.37Å
470E23.6Very low24.9Very low150 Ų150117.4 Ų117.470%0.70167%0.674SS**  trans-12281.4150.3-77.7-168.5-17400108.7K251 V472K251-E470 IonicContact NZ-OE1 3.8Å; K251-E470 PolarHBondContact NZ-OE1 3.1Å; E470-V472 VanDerWaalsContact C-N 3.31Å; E470-V472 PolarHBondContact O-N 3.43Å
471A22.4Very low24.8Very low107 Ų107124.5 Ų124.588%0.88469%0.69SS**  trans-80.583162.600000108.6
472V25Very low24.7Very low117 Ų117126.4 Ų126.471%0.70969%0.686SS**  trans-110.2142.3166.8179.40000108.3E470 T474E470-V472 VanDerWaalsContact C-N 3.31Å; E470-V472 PolarHBondContact O-N 3.43Å; V472-T474 PolarHBondContact O-N 2.82Å
473E23.6Very low24.7Very low178 Ų178127.7 Ų127.783%0.83269%0.685SS**  trans-75.2114.4-167.1-63.6166.5122.600112.7
474T24.5Very low24.7Very low140 Ų140132.2 Ų132.286%0.85971%0.709SS**  trans-155.372.6157.910.70000112.7V472V472-T474 PolarHBondContact O-N 2.82Å
475R25.7Very low24.7Very low240 Ų240132.8 Ų132.891%0.90672%0.721SS**  trans-99.8103.8148.9-99.4-170.8173-169.4-2107.7
476G24.8Very low24.9Very low76 Ų76134.6 Ų134.678%0.78473%0.729SS**  trans-64.2143.4-18000000112.3
477V23.5Very low24.6Very low142 Ų142137.9 Ų137.986%0.86174%0.737SS**  trans-111.6107.2171.4175.60000108.1
478I24.4Very low24.7Very low156 Ų156140 Ų14080%0.876%0.758SS**  trans-138.4100.4164.4-54.7-177.9000108.9
479Q28.2Very low24.6Very low189 Ų189140.8 Ų140.888%0.88376%0.762SS**  trans-171.1100.4130.9-105.7177.315.100112.3
480G24.8Very low25Very low60 Ų60143.6 Ų143.662%0.61978%0.775SS**  77.5107.7117.600000121.1
481F23.6Very low25Very low205 Ų205140.8 Ų140.890%0.89978%0.778SS**  trans69.4149.6150.6-60.3-87000117.4
482D24.6Very low25.2Very low103 Ų103143.6 Ų143.655%0.55178%0.778SS**  cis-148.6156.112.5-153.5-1.5000112.5
483K25.1Very low25.2Very low163 Ų163146.6 Ų146.671%0.70978%0.784SS**  trans31.4129.9160-71146.3-160.1146.90119.6
484T26.3Very low25.4Very low134 Ų134145.1 Ų145.182%0.82279%0.787SS**  -174.1158.360.8-1.60000112.1
485S24.1Very low25.6Very low107 Ų107147.4 Ų147.475%0.74879%0.785SS**  trans32.1131150-138.50000119.9
486I27.8Very low25.7Very low159 Ų159144.9 Ų144.982%0.81578%0.783SS**  -148.2154.359-78.6164000111.6
487R22.3Very low25.9Very low170 Ų170146.4 Ų146.464%0.64278%0.78SS**  trans-105.6148.8-178.6-173.4-173-165.7-136-0.5111.1E489R487-E489 IonicContact CZ-OE1 3.41Å; R487-E489 IonicContact CZ-OE2 3.1Å; R487-E489 IonicContact NH1-OE1 2.77Å; R487-E489 PolarHBondContact NH1-OE1 3.08Å; R487-E489 IonicContact NH1-OE2 2.64Å; R487-E489 PolarHBondContact NH1-OE2 2.99Å; R487-E489 IonicContact NH2-OE1 2.96Å; R487-E489 PolarHBondContact NH2-OE1 3.08Å; R487-E489 IonicContact NH2-OE2 3.74Å
488P27.2Very low26Very low124 Ų124148.5 Ų148.581%0.80578%0.78SS**  trans-121.4124.6147.633.6-23.5000111.7
489E22.3Very low26Very low129 Ų129145.5 Ų145.560%0.60378%0.779SS**  trans-92.8138.4150.3-79.9173146.500107.7R487R487-E489 IonicContact CZ-OE1 3.41Å; R487-E489 IonicContact CZ-OE2 3.1Å; R487-E489 IonicContact NH1-OE1 2.77Å; R487-E489 PolarHBondContact NH1-OE1 3.08Å; R487-E489 IonicContact NH1-OE2 2.64Å; R487-E489 PolarHBondContact NH1-OE2 2.99Å; R487-E489 IonicContact NH2-OE1 2.96Å; R487-E489 PolarHBondContact NH2-OE1 3.08Å; R487-E489 IonicContact NH2-OE2 3.74Å
490I30.5Very low25.9Very low166 Ų166141.8 Ų141.885%0.85177%0.773SS**  -172.7141.1105.6-91.6155.9000106.6
491A23.6Very low25.9Very low91 Ų91148.1 Ų148.175%0.75279%0.787SS**  trans-92156.7175.500000110.4
492D28.5Very low26.2Very low166 Ų166145.9 Ų145.989%0.88878%0.783SS**  trans-146.2150.1152.2-118.3-32.4000110.2
493E23.9Very low26.5Very low180 Ų180145.9 Ų145.984%0.84179%0.791SS**  trans-91.9133.5-167.8-51.4176.7111.900113.2
494V28.9Very low26.9Very low148 Ų148147 Ų14790%0.89780%0.798SS**  trans-139.1133.2144-172.70000110.9
495K27.3Very low27.6Very low187 Ų187148.6 Ų148.681%0.81380%0.801SS**  trans-68.8147.8-174.3-60.6148.2-178.3168.60113.4
496H28.8Very low29Very low187 Ų187146.1 Ų146.187%0.86679%0.792SS**  trans-65.9157.8151.6-73-74.1000110.7
497P29.3Very low30.9Very low109 Ų109139.8 Ų139.871%0.70877%0.766SS**  -143.1153.1105.738-25000116.1
498E24.3Very low34Very low185 Ų185133.2 Ų133.286%0.86475%0.746SS**  trans53.6108.5138.9-62.6177.3169.200122.1
499A24.7Very low37Very low94 Ų94127.3 Ų127.378%0.77771%0.707SS**  45.8120.2129.300000121.6
500S25.9Very low40Very low110 Ų110123.5 Ų123.577%0.76970%0.695SS**  -169.5153.8107-79.90000113.1
501E26Very low42.6Very low193 Ų193122.6 Ų122.690%0.90269%0.692SS**  trans44.593.3157-62.7-176.6166.600119.6
502I29.9Very low45.7Very low158 Ų158119.6 Ų119.681%0.8166%0.663SS**  trans-117125.8147.8-62.4179000107.7
503S30.2Very low48.6Very low103 Ų103113.3 Ų113.372%0.7263%0.631SS**  trans-75.7129.3-178.940.90000111.9L505S503-L505 PolarHBondContact O-N 3.4Å; S503-L505 VanDerWaalsContact O-N 3.1Å
504H33.6Very low51.9Low187 Ų187104.8 Ų104.887%0.86659%0.591SS**  trans-68.1105.9-176.4-66.2-90.7000112.8G506H504-G506 PolarHBondContact O-N 2.97Å
505L40.6Very low54.9Low167 Ų16798.5 Ų98.587%0.87455%0.553SS**  trans-8592.5148.1-85.480.2000108S503 G507S503-L505 PolarHBondContact O-N 3.4Å; S503-L505 VanDerWaalsContact O-N 3.1Å; L505-G507 PolarHBondContact O-N 3.15Å
506G52.9Low57.9Low56 Ų5691.6 Ų91.658%0.57752%0.523SS*.  trans-69.3107.9178.900000112H504H504-G506 PolarHBondContact O-N 2.97Å
507G69.2Low60.8Low25 Ų2583 Ų8326%0.25848%0.484SS..  trans-72.9175.6168.400000112.8L505 F509 S510 A535L505-G507 PolarHBondContact O-N 3.15Å; G507-F509 PolarHBondContact O-N 2.96Å; G507-S510 WeakPolarHBondContact O-CB 3.47Å; G507-S510 PolarHBondContact O-N 2.83Å; G507-S510 PolarHBondContact O-OG 2.89Å; G507-A535 CarbonylContact C-O 3.45Å; G507-A535 WeakPolarHBondContact CA-O 3.29Å
508C85.9Confident63.6Low32 Ų3285.5 Ų85.522%0.21648%0.484CS..THydrogen-bonded Turntrans-66.1-9.7-17457.10000115.2A535C508-A535 PolarHBondContact N-O 2.84Å
509F90.7Very high66.6Low0 Ų079.8 Ų79.80%046%0.457CS..THydrogen-bonded Turntrans-10911.3174-61.8-29000113.8G507 N511 L512 F514 I532 A535 G537 I572 C575 I576 L581G507-F509 PolarHBondContact O-N 2.96Å; F509-N511 PolarHBondContact O-N 2.72Å; F509-L512 HydrophobicContact CD1-CD1 4.5Å; F509-L512 WeakPolarHBondContact O-CB 3.26Å; F509-L512 PolarHBondContact O-N 2.95Å; F509-L512 VanDerWaalsContact O-N 3.1Å; F509-F514 HydrophobicContact CB-CE2 3.94Å; F509-F514 HydrophobicContact CB-CZ 4.15Å; F509-F514 AromaticContact CD1-CZ 3.88Å; F509-F514 HydrophobicContact CD1-CZ 3.88Å; F509-F514 HydrophobicContact CD2-CE2 4.33Å; F509-F514 HydrophobicContact CD2-CZ 4.1Å; F509-F514 HydrophobicContact CE1-CZ 4.27Å; F509-F514 HydrophobicContact CE2-CZ 4.47Å; F509-F514 HydrophobicContact CG-CE2 4.06Å; F509-F514 AromaticContact CG-CZ 3.8Å; F509-F514 HydrophobicContact CG-CZ 3.8Å; F509-I532 HydrophobicContact CD2-CB 4.38Å; F509-I532 HydrophobicContact CD2-CG1 4.16Å; F509-I532 HydrophobicContact CD2-CG2 4.38Å; F509-I532 HydrophobicContact CE2-CG1 4.01Å; F509-A535 HydrophobicContact CB-CB 4.27Å; F509-A535 HydrophobicContact CD2-CB 3.59Å; F509-A535 HydrophobicContact CE2-CB 4.2Å; F509-A535 HydrophobicContact CG-CB 4.1Å; F509-A535 PolarHBondContact N-O 2.95Å; F509-G537 WeakPolarHBondContact O-CA 3.34Å; F509-I572 HydrophobicContact CE2-CG2 4.24Å; F509-I572 HydrophobicContact CZ-CD1 4.23Å; F509-I572 HydrophobicContact CZ-CG2 4.37Å; F509-C575 HydrophobicContact CE1-CB 3.59Å; F509-C575 HydrophobicContact CZ-CB 3.76Å; F509-I576 HydrophobicContact CD2-CD1 4.32Å; F509-I576 HydrophobicContact CE2-CD1 3.71Å; F509-I576 HydrophobicContact CE2-CG1 3.96Å; F509-I576 HydrophobicContact CZ-CD1 4.2Å; F509-I576 HydrophobicContact CZ-CG1 4.1Å; F509-L581 HydrophobicContact CD1-CD1 3.83Å; F509-L581 HydrophobicContact CE1-CD1 4.05Å
510S85.9Confident69.7Low49 Ų4975.8 Ų75.834%0.34342%0.422SS..THydrogen-bonded Turntrans-54.4134.7178.149.50000113G507 L512 G536G507-S510 WeakPolarHBondContact O-CB 3.47Å; G507-S510 PolarHBondContact O-N 2.83Å; G507-S510 PolarHBondContact O-OG 2.89Å; S510-L512 VanDerWaalsContact C-N 3.27Å; S510-L512 PolarHBondContact O-N 3.28Å; S510-G536 WeakPolarHBondContact CA-O 3.36Å
511N84.3Confident72.7Confident148 Ų14872.9 Ų72.979%0.79140%0.402SS*.THydrogen-bonded Turntrans65.214.9-175.1-47-58.9000116.1F509F509-N511 PolarHBondContact O-N 2.72Å
512L89.7Confident75.6Confident28 Ų2869.8 Ų69.815%0.14739%0.391CS..  trans-106137.4175.1-58.1177.4000111.8F509 S510 F514 C538 F548 L581F509-L512 HydrophobicContact CD1-CD1 4.5Å; F509-L512 WeakPolarHBondContact O-CB 3.26Å; F509-L512 PolarHBondContact O-N 2.95Å; F509-L512 VanDerWaalsContact O-N 3.1Å; S510-L512 VanDerWaalsContact C-N 3.27Å; S510-L512 PolarHBondContact O-N 3.28Å; L512-F514 HydrophobicContact CB-CD2 4.45Å; L512-F514 HydrophobicContact CB-CE2 3.67Å; L512-F514 HydrophobicContact CB-CZ 4.18Å; L512-F514 HydrophobicContact CD1-CZ 4.36Å; L512-C538 PolarHBondContact O-N 3.2Å; L512-F548 HydrophobicContact CD1-CD2 4.49Å; L512-F548 HydrophobicContact CD1-CE2 3.9Å; L512-F548 HydrophobicContact CD2-CE2 4.13Å; L512-F548 HydrophobicContact CG-CE2 4.44Å; L512-L581 HydrophobicContact CD1-CD1 3.45Å; L512-L581 VanDerWaalsContact CD1-CD1 3.45Å; L512-L581 HydrophobicContact CD1-CD2 3.87Å; L512-L581 HydrophobicContact CD1-CG 4.32Å
513V89.7Confident78.3Confident34 Ų3465.5 Ų65.521%0.20638%0.38CS..EExtended strand (participates in β ladder)trans-104.6127.4175.7-174.90000109.9C538 V546 N547 F548V513-C538 WeakPolarHBondContact CA-O 3.38Å; V513-C538 HydrophobicContact CG2-CB 4.24Å; V513-V546 HydrophobicContact CG1-CG2 4.29Å; V513-N547 PolarHBondContact N-OD1 3.32Å; V513-N547 WeakPolarHBondContact O-CB 3.36Å; V513-N547 PolarHBondContact O-N 3.29Å; V513-F548 PolarHBondContact O-N 2.81Å
514F93.1Very high81Confident0 Ų063.2 Ų63.20%036%0.36CS..EExtended strand (participates in β ladder)trans-112.4152.7177.5-61.8-101.2000110.7F509 L512 I532 C538 I539 S540 F548 V550 W571 I572F509-F514 HydrophobicContact CB-CE2 3.94Å; F509-F514 HydrophobicContact CB-CZ 4.15Å; F509-F514 AromaticContact CD1-CZ 3.88Å; F509-F514 HydrophobicContact CD1-CZ 3.88Å; F509-F514 HydrophobicContact CD2-CE2 4.33Å; F509-F514 HydrophobicContact CD2-CZ 4.1Å; F509-F514 HydrophobicContact CE1-CZ 4.27Å; F509-F514 HydrophobicContact CE2-CZ 4.47Å; F509-F514 HydrophobicContact CG-CE2 4.06Å; F509-F514 AromaticContact CG-CZ 3.8Å; F509-F514 HydrophobicContact CG-CZ 3.8Å; L512-F514 HydrophobicContact CB-CD2 4.45Å; L512-F514 HydrophobicContact CB-CE2 3.67Å; L512-F514 HydrophobicContact CB-CZ 4.18Å; L512-F514 HydrophobicContact CD1-CZ 4.36Å; F514-I532 HydrophobicContact CB-CD1 4.21Å; F514-I532 HydrophobicContact CB-CG2 4.48Å; F514-I532 HydrophobicContact CD1-CD1 3.99Å; F514-I532 HydrophobicContact CD2-CG2 3.5Å; F514-I532 VanDerWaalsContact CD2-CG2 3.5Å; F514-I532 HydrophobicContact CE2-CG2 3.85Å; F514-I532 HydrophobicContact CG-CD1 3.99Å; F514-I532 HydrophobicContact CG-CG2 4.02Å; F514-C538 PolarHBondContact N-O 3.12Å; F514-I539 CarbonylContact O-C 3.56Å; F514-I539 WeakPolarHBondContact O-CA 3.38Å; F514-S540 PolarHBondContact O-N 3.09Å; F514-F548 WeakPolarHBondContact CA-O 3.26Å; F514-F548 HydrophobicContact CD1-CB 3.66Å; F514-F548 HydrophobicContact CD1-CD2 4.39Å; F514-F548 HydrophobicContact CD1-CG 4.37Å; F514-F548 HydrophobicContact CE1-CB 3.85Å; F514-F548 AromaticContact CE1-CD2 3.89Å; F514-F548 HydrophobicContact CE1-CD2 3.89Å; F514-F548 HydrophobicContact CE1-CG 4.07Å; F514-F548 HydrophobicContact CG-CB 4.47Å; F514-F548 HydrophobicContact CZ-CD2 4.11Å; F514-V550 HydrophobicContact CB-CG2 4.46Å; F514-V550 HydrophobicContact CD1-CG2 3.82Å; F514-W571 HydrophobicContact CE1-CZ3 4.28Å; F514-I572 HydrophobicContact CD1-CD1 4.03Å; F514-I572 HydrophobicContact CE1-CD1 3.6Å
515S90.9Very high83.7Confident16 Ų1656.5 Ų56.511%0.11233%0.33CS..EExtended strand (participates in β ladder)trans-136.5166161.170.70000110.1S540 F548 L549 V550S515-S540 WeakPolarHBondContact CB-O 3.41Å; S515-F548 PolarHBondContact N-O 2.95Å; S515-L549 VanDerWaalsContact OG-CD1 3.22Å; S515-L549 WeakPolarHBondContact OG-CD1 3.4Å; S515-V550 PolarHBondContact O-N 3.43Å
516F91.3Very high86.1Confident42 Ų4253.6 Ų53.618%0.18431%0.314CS..EExtended strand (participates in β ladder)trans-108139.6-176.9-61.1-69.3000111.4L520 I525 C528 T529 I532 I539 V550F516-L520 HydrophobicContact CB-CD2 4.32Å; F516-L520 HydrophobicContact CD1-CD2 3.59Å; F516-L520 HydrophobicContact CE1-CD2 4.35Å; F516-L520 HydrophobicContact CG-CD2 4.31Å; F516-I525 HydrophobicContact CB-CG1 4.14Å; F516-I525 HydrophobicContact CD1-CG1 4.4Å; F516-I525 HydrophobicContact CD2-CG2 3.9Å; F516-I525 HydrophobicContact CE2-CG2 4.08Å; F516-I525 HydrophobicContact CG-CG1 4.1Å; F516-I525 HydrophobicContact CG-CG2 4.33Å; F516-C528 HydrophobicContact CE1-CB 3.7Å; F516-C528 HydrophobicContact CZ-CB 4.12Å; F516-T529 VanDerWaalsContact CE2-OG1 3.3Å; F516-T529 WeakPolarHBondContact CE2-OG1 2.94Å; F516-T529 WeakPolarHBondContact CZ-OG1 3.23Å; F516-I532 HydrophobicContact CE1-CD1 4.28Å; F516-I532 HydrophobicContact CZ-CD1 4.26Å; F516-I539 HydrophobicContact CD2-CG2 4.35Å; F516-I539 HydrophobicContact CE2-CD1 4.03Å; F516-I539 HydrophobicContact CE2-CG2 3.85Å; F516-I539 HydrophobicContact CZ-CD1 4.12Å; F516-V550 HydrophobicContact CD1-CB 3.82Å; F516-V550 HydrophobicContact CD1-CG1 4.13Å; F516-V550 HydrophobicContact CD1-CG2 4.45Å; F516-V550 HydrophobicContact CE1-CB 4.13Å; F516-V550 HydrophobicContact CE1-CG1 4.24Å; F516-V550 HydrophobicContact CE1-CG2 4.38Å
517H89.5Confident87.8Confident7 Ų756.7 Ų56.73%0.03231%0.311CS..  trans-74.5138.5172-167.3-120.4000111.1E519 L520 L549 V550 T551 N557H517-E519 IonicContact CE1-OE1 3.74Å; H517-E519 PolarHBondContact O-N 3.47Å; H517-L520 WeakPolarHBondContact O-CB 3.28Å; H517-L520 PolarHBondContact O-N 3.08Å; H517-L549 HydrophobicContact CB-CD1 4.41Å; H517-L549 HydrophobicContact CB-CD2 4.41Å; H517-L549 HydrophobicContact CB-CG 4.36Å; H517-V550 PolarHBondContact N-O 3.2Å; H517-T551 HydrophobicContact CB-CG2 3.77Å; H517-N557 PolarHBondContact CE1-O 3.18Å; H517-N557 VanDerWaalsContact CE1-O 3.25Å
518K86.7Confident88.8Confident162 Ų16255.8 Ų55.870%0.70430%0.301SS*.THydrogen-bonded Turntrans-58.1-1.9178.162.8-160.1164.8-163.70117.2
519E88.5Confident89.1Confident64 Ų6455.3 Ų55.330%0.29930%0.297SS..THydrogen-bonded Turntrans-106.6-0.8172.8-63.1178.4-156.500112.6H517 P552 V555 T556H517-E519 IonicContact CE1-OE1 3.74Å; H517-E519 PolarHBondContact O-N 3.47Å; E519-P552 HydrophobicContact CB-CG 4.38Å; E519-V555 WeakPolarHBondContact OE2-CA 3.38Å; E519-V555 WeakPolarHBondContact OE2-CB 3.34Å; E519-T556 PolarHBondContact OE1-N 3.49Å; E519-T556 PolarHBondContact OE1-OG1 3.44Å; E519-T556 PolarHBondContact OE2-N 2.9Å
520L89.1Confident89Confident11 Ų1159.7 Ų59.76%0.05832%0.321CS..SBendtrans-76.8144.5174.2-168.662.7000110.3F516 H517 D524 I525 V550 P552 V569F516-L520 HydrophobicContact CB-CD2 4.32Å; F516-L520 HydrophobicContact CD1-CD2 3.59Å; F516-L520 HydrophobicContact CE1-CD2 4.35Å; F516-L520 HydrophobicContact CG-CD2 4.31Å; H517-L520 WeakPolarHBondContact O-CB 3.28Å; H517-L520 PolarHBondContact O-N 3.08Å; L520-D524 HydrophobicContact CD1-CB 3.73Å; L520-D524 HydrophobicContact CD2-CB 4.37Å; L520-D524 HydrophobicContact CG-CB 3.89Å; L520-I525 HydrophobicContact CB-CD1 4.37Å; L520-I525 HydrophobicContact CB-CG1 4.13Å; L520-I525 HydrophobicContact CD2-CG1 3.8Å; L520-I525 HydrophobicContact CG-CG1 3.96Å; L520-V550 HydrophobicContact CD2-CG1 4.22Å; L520-P552 HydrophobicContact CD1-CB 4.14Å; L520-V569 HydrophobicContact CD1-CG1 3.67Å; L520-V569 HydrophobicContact CD2-CG1 4.2Å
521S88.5Confident89.2Confident48 Ų4859.8 Ų59.834%0.33632%0.317SS..  trans-73.9148.5-178.887.30000112.1A523 D524 I525S521-A523 PolarHBondContact O-N 2.81Å; S521-D524 PolarHBondContact O-N 2.83Å; S521-D524 VanDerWaalsContact OG-CG 3.29Å; S521-D524 PolarHBondContact OG-N 3.46Å; S521-D524 VanDerWaalsContact OG-N 3.13Å; S521-D524 PolarHBondContact OG-OD2 2.7Å; S521-I525 WeakPolarHBondContact O-CG1 3.14Å; S521-I525 PolarHBondContact O-N 3.28Å
522D87.2Confident89.5Confident128 Ų12852.8 Ų52.868%0.68428%0.279SS*.Hα-helixtrans-54.9-36.2176.4-61.7-48.2000112.1I525 I526D522-I525 PolarHBondContact O-N 3.43Å; D522-I526 WeakPolarHBondContact O-CB 3.33Å; D522-I526 WeakPolarHBondContact O-CD1 3.35Å; D522-I526 VanDerWaalsContact O-CG1 3.23Å; D522-I526 WeakPolarHBondContact O-CG1 3.35Å; D522-I526 PolarHBondContact O-N 3.03Å
523A86.5Confident89.6Confident69 Ų6957.2 Ų57.257%0.5730%0.297SS*.Hα-helixtrans-66.6-40.1177.400000112.3S521 K527S521-A523 PolarHBondContact O-N 2.81Å; A523-K527 WeakPolarHBondContact O-CB 3.28Å; A523-K527 PolarHBondContact O-N 3.17Å
524D87.4Confident89.5Confident55 Ų5561.6 Ų61.629%0.29432%0.324SS..Hα-helixtrans-72.8-35.8175-65.3-58.1000111.7L520 S521 K527 C528 V569L520-D524 HydrophobicContact CD1-CB 3.73Å; L520-D524 HydrophobicContact CD2-CB 4.37Å; L520-D524 HydrophobicContact CG-CB 3.89Å; S521-D524 PolarHBondContact O-N 2.83Å; S521-D524 VanDerWaalsContact OG-CG 3.29Å; S521-D524 PolarHBondContact OG-N 3.46Å; S521-D524 VanDerWaalsContact OG-N 3.13Å; S521-D524 PolarHBondContact OG-OD2 2.7Å; D524-K527 PolarHBondContact O-N 3.42Å; D524-C528 VanDerWaalsContact O-CB 3.23Å; D524-C528 WeakPolarHBondContact O-CB 3.31Å; D524-C528 PolarHBondContact O-N 2.98Å; D524-C528 PolarHBondContact O-SG 2.76Å; D524-V569 HydrophobicContact CB-CG1 4.48Å
525I90.9Very high89.2Confident46 Ų4662 Ų6224%0.23633%0.328CS..Hα-helixtrans-60.5-49.7173.8-70.1166.6000110.3F516 L520 S521 D522 T529F516-I525 HydrophobicContact CB-CG1 4.14Å; F516-I525 HydrophobicContact CD1-CG1 4.4Å; F516-I525 HydrophobicContact CD2-CG2 3.9Å; F516-I525 HydrophobicContact CE2-CG2 4.08Å; F516-I525 HydrophobicContact CG-CG1 4.1Å; F516-I525 HydrophobicContact CG-CG2 4.33Å; L520-I525 HydrophobicContact CB-CD1 4.37Å; L520-I525 HydrophobicContact CB-CG1 4.13Å; L520-I525 HydrophobicContact CD2-CG1 3.8Å; L520-I525 HydrophobicContact CG-CG1 3.96Å; S521-I525 WeakPolarHBondContact O-CG1 3.14Å; S521-I525 PolarHBondContact O-N 3.28Å; D522-I525 PolarHBondContact O-N 3.43Å; I525-T529 WeakPolarHBondContact O-CB 3.46Å; I525-T529 PolarHBondContact O-N 2.87Å; I525-T529 PolarHBondContact O-OG1 3.27Å
526I89.5Confident89Confident105 Ų10562.9 Ų62.954%0.53834%0.339SS..Hα-helixtrans-60.9-51.8176.9-68.6163.1000110.1D522 C528 T529 D530D522-I526 WeakPolarHBondContact O-CB 3.33Å; D522-I526 WeakPolarHBondContact O-CD1 3.35Å; D522-I526 VanDerWaalsContact O-CG1 3.23Å; D522-I526 WeakPolarHBondContact O-CG1 3.35Å; D522-I526 PolarHBondContact O-N 3.03Å; I526-C528 PolarHBondContact O-N 2.85Å; I526-T529 WeakPolarHBondContact O-CB 3.37Å; I526-T529 PolarHBondContact O-N 2.99Å; I526-T529 VanDerWaalsContact O-N 3.12Å; I526-D530 PolarHBondContact O-N 3.39Å; I526-D530 VanDerWaalsContact O-N 3.15Å
527K89.1Confident88.9Confident122 Ų12261.2 Ų61.253%0.5333%0.334SS..Hα-helixtrans-59.3-46.9-178.6-178.5-179.6176.2-172.70112.5A523 D524 T529 I531A523-K527 WeakPolarHBondContact O-CB 3.28Å; A523-K527 PolarHBondContact O-N 3.17Å; D524-K527 PolarHBondContact O-N 3.42Å; K527-T529 VanDerWaalsContact C-N 3.35Å; K527-I531 HydrophobicContact CG-CD1 3.95Å; K527-I531 WeakPolarHBondContact O-CB 3.29Å; K527-I531 VanDerWaalsContact O-CD1 3.3Å; K527-I531 WeakPolarHBondContact O-CD1 2.86Å; K527-I531 WeakPolarHBondContact O-CG1 3.22Å; K527-I531 PolarHBondContact O-N 3.4Å
528C91.2Very high88.8Confident6 Ų664.2 Ų64.24%0.04136%0.355CS..Hα-helixtrans-70.6-31176.3-72.50000112.2F516 D524 I526 I531 I532F516-C528 HydrophobicContact CE1-CB 3.7Å; F516-C528 HydrophobicContact CZ-CB 4.12Å; D524-C528 VanDerWaalsContact O-CB 3.23Å; D524-C528 WeakPolarHBondContact O-CB 3.31Å; D524-C528 PolarHBondContact O-N 2.98Å; D524-C528 PolarHBondContact O-SG 2.76Å; I526-C528 PolarHBondContact O-N 2.85Å; C528-I531 PolarHBondContact O-N 3.12Å; C528-I532 HydrophobicContact CB-CD1 4.26Å; C528-I532 VanDerWaalsContact O-CB 3.23Å; C528-I532 WeakPolarHBondContact O-CB 3.25Å; C528-I532 WeakPolarHBondContact O-CD1 3.46Å; C528-I532 WeakPolarHBondContact O-CG1 3.36Å; C528-I532 PolarHBondContact O-N 3.35Å
529T92Very high88.9Confident22 Ų2258.8 Ų58.814%0.13533%0.333CS..Hα-helixtrans-59.1-52176.8-74.70000111.8F516 I525 I526 K527 K533 I539F516-T529 VanDerWaalsContact CE2-OG1 3.3Å; F516-T529 WeakPolarHBondContact CE2-OG1 2.94Å; F516-T529 WeakPolarHBondContact CZ-OG1 3.23Å; I525-T529 WeakPolarHBondContact O-CB 3.46Å; I525-T529 PolarHBondContact O-N 2.87Å; I525-T529 PolarHBondContact O-OG1 3.27Å; I526-T529 WeakPolarHBondContact O-CB 3.37Å; I526-T529 PolarHBondContact O-N 2.99Å; I526-T529 VanDerWaalsContact O-N 3.12Å; K527-T529 VanDerWaalsContact C-N 3.35Å; T529-K533 HydrophobicContact CG2-CD 3.95Å; T529-K533 VanDerWaalsContact CG2-NZ 3.31Å; T529-K533 WeakPolarHBondContact O-CB 3.31Å; T529-K533 VanDerWaalsContact O-CG 3.31Å; T529-K533 WeakPolarHBondContact O-CG 3.35Å; T529-K533 PolarHBondContact O-N 3.23Å; T529-K533 VanDerWaalsContact O-N 3.08Å; T529-I539 HydrophobicContact CG2-CD1 3.82Å
530D87.3Confident88.8Confident92 Ų9257 Ų5749%0.49233%0.327SS..Hα-helixtrans-66.7-43-178.9-68.6-19000111.1I526 T534I526-D530 PolarHBondContact O-N 3.39Å; I526-D530 VanDerWaalsContact O-N 3.15Å; D530-T534 VanDerWaalsContact O-CB 3.24Å; D530-T534 WeakPolarHBondContact O-CB 3.36Å; D530-T534 PolarHBondContact O-N 3.37Å; D530-T534 PolarHBondContact O-OG1 3.02Å
531I90.7Very high88.1Confident51 Ų5164.2 Ų64.226%0.26237%0.366SS..Hα-helixtrans-61.4-45.7178-70172.1000111.9K527 C528 T534 A535 I572 I576K527-I531 HydrophobicContact CG-CD1 3.95Å; K527-I531 WeakPolarHBondContact O-CB 3.29Å; K527-I531 VanDerWaalsContact O-CD1 3.3Å; K527-I531 WeakPolarHBondContact O-CD1 2.86Å; K527-I531 WeakPolarHBondContact O-CG1 3.22Å; K527-I531 PolarHBondContact O-N 3.4Å; C528-I531 PolarHBondContact O-N 3.12Å; I531-T534 PolarHBondContact O-N 2.88Å; I531-A535 WeakPolarHBondContact O-CB 3.25Å; I531-A535 PolarHBondContact O-N 2.82Å; I531-A535 VanDerWaalsContact O-N 3.1Å; I531-I572 HydrophobicContact CG2-CG2 4.32Å; I531-I576 HydrophobicContact CG2-CB 4.33Å; I531-I576 HydrophobicContact CG2-CD1 3.55Å; I531-I576 HydrophobicContact CG2-CG1 3.45Å; I531-I576 VanDerWaalsContact CG2-CG1 3.45Å; I531-I576 HydrophobicContact CG2-CG2 4.22Å
532I91.9Very high87.1Confident0 Ų067.7 Ų67.70%038%0.381CS..Hα-helixtrans-65.7-47-179.6-72.5165.6000110.7F509 F514 F516 C528 T534 A535 G536 G537 I539 V550 I572F509-I532 HydrophobicContact CD2-CB 4.38Å; F509-I532 HydrophobicContact CD2-CG1 4.16Å; F509-I532 HydrophobicContact CD2-CG2 4.38Å; F509-I532 HydrophobicContact CE2-CG1 4.01Å; F514-I532 HydrophobicContact CB-CD1 4.21Å; F514-I532 HydrophobicContact CB-CG2 4.48Å; F514-I532 HydrophobicContact CD1-CD1 3.99Å; F514-I532 HydrophobicContact CD2-CG2 3.5Å; F514-I532 VanDerWaalsContact CD2-CG2 3.5Å; F514-I532 HydrophobicContact CE2-CG2 3.85Å; F514-I532 HydrophobicContact CG-CD1 3.99Å; F514-I532 HydrophobicContact CG-CG2 4.02Å; F516-I532 HydrophobicContact CE1-CD1 4.28Å; F516-I532 HydrophobicContact CZ-CD1 4.26Å; C528-I532 HydrophobicContact CB-CD1 4.26Å; C528-I532 VanDerWaalsContact O-CB 3.23Å; C528-I532 WeakPolarHBondContact O-CB 3.25Å; C528-I532 WeakPolarHBondContact O-CD1 3.46Å; C528-I532 WeakPolarHBondContact O-CG1 3.36Å; C528-I532 PolarHBondContact O-N 3.35Å; I532-T534 PolarHBondContact O-N 2.97Å; I532-A535 CarbonylContact O-C 3.55Å; I532-A535 PolarHBondContact O-N 2.63Å; I532-G536 PolarHBondContact O-N 2.85Å; I532-G537 WeakPolarHBondContact O-CA 3.47Å; I532-G537 PolarHBondContact O-N 2.84Å; I532-I539 HydrophobicContact CG2-CD1 4.45Å; I532-I539 HydrophobicContact CG2-CG1 4.14Å; I532-V550 HydrophobicContact CD1-CG2 4.34Å; I532-I572 HydrophobicContact CD1-CD1 4.22Å; I532-I572 HydrophobicContact CD1-CG2 4.42Å; I532-I572 HydrophobicContact CG1-CD1 4.49Å; I532-I572 HydrophobicContact CG1-CG2 4.11Å
533K90.4Very high86.1Confident122 Ų12266.8 Ų66.853%0.5337%0.373SS..Hα-helixtrans-61-43.5177.1-73.8171.1177.4168.60112T529 A535 G536 I539T529-K533 HydrophobicContact CG2-CD 3.95Å; T529-K533 VanDerWaalsContact CG2-NZ 3.31Å; T529-K533 WeakPolarHBondContact O-CB 3.31Å; T529-K533 VanDerWaalsContact O-CG 3.31Å; T529-K533 WeakPolarHBondContact O-CG 3.35Å; T529-K533 PolarHBondContact O-N 3.23Å; T529-K533 VanDerWaalsContact O-N 3.08Å; K533-A535 PolarHBondContact O-N 3.45Å; K533-G536 PolarHBondContact O-N 3.48Å; K533-I539 HydrophobicContact CG-CD1 4.25Å
534T87.6Confident84.9Confident125 Ų12571.1 Ų71.177%0.76738%0.381SS*.Hα-helixtrans-64.2-30.8178.9-55.70000111.9D530 I531 I532 G536D530-T534 VanDerWaalsContact O-CB 3.24Å; D530-T534 WeakPolarHBondContact O-CB 3.36Å; D530-T534 PolarHBondContact O-N 3.37Å; D530-T534 PolarHBondContact O-OG1 3.02Å; I531-T534 PolarHBondContact O-N 2.88Å; I532-T534 PolarHBondContact O-N 2.97Å; T534-G536 VanDerWaalsContact C-N 3.29Å; T534-G536 PolarHBondContact O-N 3.04Å
535A87.7Confident84.1Confident10 Ų1075.7 Ų75.78%0.08341%0.405CS..THydrogen-bonded Turntrans-86.811.6172.900000114.4G507 C508 F509 I531 I532 K533 I576G507-A535 CarbonylContact C-O 3.45Å; G507-A535 WeakPolarHBondContact CA-O 3.29Å; C508-A535 PolarHBondContact N-O 2.84Å; F509-A535 HydrophobicContact CB-CB 4.27Å; F509-A535 HydrophobicContact CD2-CB 3.59Å; F509-A535 HydrophobicContact CE2-CB 4.2Å; F509-A535 HydrophobicContact CG-CB 4.1Å; F509-A535 PolarHBondContact N-O 2.95Å; I531-A535 WeakPolarHBondContact O-CB 3.25Å; I531-A535 PolarHBondContact O-N 2.82Å; I531-A535 VanDerWaalsContact O-N 3.1Å; I532-A535 CarbonylContact O-C 3.55Å; I532-A535 PolarHBondContact O-N 2.63Å; K533-A535 PolarHBondContact O-N 3.45Å; A535-I576 HydrophobicContact CB-CD1 3.45Å; A535-I576 VanDerWaalsContact CB-CD1 3.45Å
536G85.5Confident83.7Confident34 Ų3473.8 Ų73.835%0.35140%0.396SS..THydrogen-bonded Turntrans82.88.7174.900000115.6S510 I532 K533 T534S510-G536 WeakPolarHBondContact CA-O 3.36Å; I532-G536 PolarHBondContact O-N 2.85Å; K533-G536 PolarHBondContact O-N 3.48Å; T534-G536 VanDerWaalsContact C-N 3.29Å; T534-G536 PolarHBondContact O-N 3.04Å
537G89.4Confident83.5Confident6 Ų672 Ų726%0.06239%0.387CS..  trans-82.1148.6176.900000113.2F509 I532F509-G537 WeakPolarHBondContact O-CA 3.34Å; I532-G537 WeakPolarHBondContact O-CA 3.47Å; I532-G537 PolarHBondContact O-N 2.84Å
538C88.4Confident83.6Confident70 Ų7066.9 Ų66.947%0.47337%0.365SS..EExtended strand (participates in β ladder)trans-95.9153.6176.1-630000110.8L512 V513 F514L512-C538 PolarHBondContact O-N 3.2Å; V513-C538 WeakPolarHBondContact CA-O 3.38Å; V513-C538 HydrophobicContact CG2-CB 4.24Å; F514-C538 PolarHBondContact N-O 3.12Å
539I89.1Confident83.6Confident49 Ų4967 Ų6725%0.25137%0.365SS..EExtended strand (participates in β ladder)trans-124.1135.3176.8-55.9178.3000108.5F514 F516 T529 I532 K533F514-I539 CarbonylContact O-C 3.56Å; F514-I539 WeakPolarHBondContact O-CA 3.38Å; F516-I539 HydrophobicContact CD2-CG2 4.35Å; F516-I539 HydrophobicContact CE2-CD1 4.03Å; F516-I539 HydrophobicContact CE2-CG2 3.85Å; F516-I539 HydrophobicContact CZ-CD1 4.12Å; T529-I539 HydrophobicContact CG2-CD1 3.82Å; I532-I539 HydrophobicContact CG2-CD1 4.45Å; I532-I539 HydrophobicContact CG2-CG1 4.14Å; K533-I539 HydrophobicContact CG-CD1 4.25Å
540S86Confident83.6Confident26 Ų2666 Ų6618%0.18236%0.359CS..  trans-131.3128-178.2174.40000111F514 S515 N542F514-S540 PolarHBondContact O-N 3.09Å; S515-S540 WeakPolarHBondContact CB-O 3.41Å; S540-N542 VanDerWaalsContact C-N 3.3Å; S540-N542 PolarHBondContact OG-N 3.09Å; S540-N542 PolarHBondContact OG-O 3.06Å
541D74.1Confident83.8Confident163 Ų16361.6 Ų61.687%0.87234%0.335SS*.SBendtrans-78.7-16.8171.6-52.5-42.4000112
542N68.1Low83.9Confident121 Ų12160.4 Ų60.465%0.64733%0.331SS*.SBendtrans-80125.8173-75.1-45.6000110.3S540 H544 V546S540-N542 VanDerWaalsContact C-N 3.3Å; S540-N542 PolarHBondContact OG-N 3.09Å; S540-N542 PolarHBondContact OG-O 3.06Å; N542-H544 PolarHBondContact O-N 3.28Å; N542-V546 WeakPolarHBondContact O-CG2 3.31Å
543E64.9Low83.9Confident109 Ų10961.1 Ų61.151%0.50933%0.334SS..SBendtrans-65.5-14.5176.1-64.9-172.2155.700113.7I561E543-I561 HydrophobicContact CB-CD1 4.04Å; E543-I561 HydrophobicContact CG-CD1 4.21Å
544H61.2Low84Confident160 Ų16056.2 Ų56.274%0.74131%0.313SS*.THydrogen-bonded Turntrans-88.7131.3178.4-60.7-25.2000111.3N542N542-H544 PolarHBondContact O-N 3.28Å
545N71.2Confident84.1Confident150 Ų15050.3 Ų50.380%0.80228%0.276SS*.THydrogen-bonded Turntrans71.830.4178.4-140.536.4000115.9
546V81.5Confident83.9Confident7 Ų754 Ų544%0.04230%0.298CS..  trans-90.9139.6171.6179.10000110.9V513 N542 F548V513-V546 HydrophobicContact CG1-CG2 4.29Å; N542-V546 WeakPolarHBondContact O-CG2 3.31Å; V546-F548 VanDerWaalsContact CG1-O 3.31Å; V546-F548 WeakPolarHBondContact CG1-O 3.32Å
547N86.9Confident83.8Confident67 Ų6757.2 Ų57.236%0.35831%0.307SS..SBendtrans-84.6-46.6174.4-58.1109.7000112.3V513 C564 E565V513-N547 PolarHBondContact N-OD1 3.32Å; V513-N547 WeakPolarHBondContact O-CB 3.36Å; V513-N547 PolarHBondContact O-N 3.29Å; N547-C564 WeakPolarHBondContact O-CA 3.36Å; N547-E565 PolarHBondContact O-N 3.09Å
548F90.8Very high83.5Confident14 Ų1458.7 Ų58.76%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-127.5127.6-174-64.2-76.2000112.3L512 V513 F514 S515 V546 E565 V567 W571 L583L512-F548 HydrophobicContact CD1-CD2 4.49Å; L512-F548 HydrophobicContact CD1-CE2 3.9Å; L512-F548 HydrophobicContact CD2-CE2 4.13Å; L512-F548 HydrophobicContact CG-CE2 4.44Å; V513-F548 PolarHBondContact O-N 2.81Å; F514-F548 WeakPolarHBondContact CA-O 3.26Å; F514-F548 HydrophobicContact CD1-CB 3.66Å; F514-F548 HydrophobicContact CD1-CD2 4.39Å; F514-F548 HydrophobicContact CD1-CG 4.37Å; F514-F548 HydrophobicContact CE1-CB 3.85Å; F514-F548 AromaticContact CE1-CD2 3.89Å; F514-F548 HydrophobicContact CE1-CD2 3.89Å; F514-F548 HydrophobicContact CE1-CG 4.07Å; F514-F548 HydrophobicContact CG-CB 4.47Å; F514-F548 HydrophobicContact CZ-CD2 4.11Å; S515-F548 PolarHBondContact N-O 2.95Å; V546-F548 VanDerWaalsContact CG1-O 3.31Å; V546-F548 WeakPolarHBondContact CG1-O 3.32Å; F548-E565 WeakPolarHBondContact CA-O 3.32Å; F548-E565 HydrophobicContact CD1-CB 4.01Å; F548-E565 HydrophobicContact CE1-CB 3.94Å; F548-E565 HydrophobicContact CE1-CG 4.45Å; F548-V567 HydrophobicContact CB-CG2 3.98Å; F548-V567 HydrophobicContact CD1-CG1 3.84Å; F548-V567 HydrophobicContact CD1-CG2 4.15Å; F548-V567 HydrophobicContact CE1-CG1 4.37Å; F548-V567 HydrophobicContact CG-CG2 4.42Å; F548-W571 HydrophobicContact CD1-CH2 4.3Å; F548-W571 HydrophobicContact CD1-CZ3 4.13Å; F548-W571 HydrophobicContact CE1-CH2 4.03Å; F548-W571 HydrophobicContact CE1-CZ3 4.33Å; F548-W571 HydrophobicContact CE2-CH2 4.48Å; F548-W571 HydrophobicContact CG-CZ3 4.33Å; F548-W571 HydrophobicContact CZ-CH2 4.16Å; F548-L583 HydrophobicContact CE1-CD2 4.05Å; F548-L583 HydrophobicContact CZ-CD2 3.74Å
549L90.3Very high82.8Confident10 Ų1056.4 Ų56.45%0.05230%0.298CS..EExtended strand (participates in β ladder)trans-94.9113.2167.8-176.167.6000109S515 H517 T551 P559 E565 F566 V567S515-L549 VanDerWaalsContact OG-CD1 3.22Å; S515-L549 WeakPolarHBondContact OG-CD1 3.4Å; H517-L549 HydrophobicContact CB-CD1 4.41Å; H517-L549 HydrophobicContact CB-CD2 4.41Å; H517-L549 HydrophobicContact CB-CG 4.36Å; L549-T551 HydrophobicContact CG-CG2 4.39Å; L549-P559 HydrophobicContact CD2-CG 3.6Å; L549-E565 PolarHBondContact N-O 3.39Å; L549-E565 VanDerWaalsContact N-O 3.1Å; L549-F566 HydrophobicContact CB-CD1 4.03Å; L549-F566 HydrophobicContact CB-CE1 4.39Å; L549-F566 HydrophobicContact CD2-CD1 3.79Å; L549-F566 HydrophobicContact CD2-CE1 3.66Å; L549-F566 HydrophobicContact CG-CD1 4.4Å; L549-V567 PolarHBondContact O-N 3.47Å; L549-V567 VanDerWaalsContact O-N 3.08Å
550V92.3Very high81.6Confident0 Ų062.2 Ų62.20%033%0.329CS..EExtended strand (participates in β ladder)trans-82.5125.9179.7-176.20000109.8F514 S515 F516 H517 L520 I532 V567 V569 I572F514-V550 HydrophobicContact CB-CG2 4.46Å; F514-V550 HydrophobicContact CD1-CG2 3.82Å; S515-V550 PolarHBondContact O-N 3.43Å; F516-V550 HydrophobicContact CD1-CB 3.82Å; F516-V550 HydrophobicContact CD1-CG1 4.13Å; F516-V550 HydrophobicContact CD1-CG2 4.45Å; F516-V550 HydrophobicContact CE1-CB 4.13Å; F516-V550 HydrophobicContact CE1-CG1 4.24Å; F516-V550 HydrophobicContact CE1-CG2 4.38Å; H517-V550 PolarHBondContact N-O 3.2Å; L520-V550 HydrophobicContact CD2-CG1 4.22Å; I532-V550 HydrophobicContact CD1-CG2 4.34Å; V550-V567 CarbonylContact C-O 3.58Å; V550-V567 WeakPolarHBondContact CA-O 3.38Å; V550-V567 HydrophobicContact CG2-CG2 4.37Å; V550-V569 HydrophobicContact CG1-CG1 3.92Å; V550-I572 HydrophobicContact CG1-CG1 4.12Å; V550-I572 HydrophobicContact CG2-CD1 4.02Å; V550-I572 HydrophobicContact CG2-CG1 4.18Å
551T92.3Very high80.6Confident0 Ų062.9 Ų62.90%033%0.329CS..EExtended strand (participates in β ladder)trans-125.7156.3-171.849.80000111.9H517 L549 L558 V567 T568 V569 P594H517-T551 HydrophobicContact CB-CG2 3.77Å; L549-T551 HydrophobicContact CG-CG2 4.39Å; T551-L558 HydrophobicContact CG2-CD2 4.37Å; T551-V567 PolarHBondContact N-O 2.86Å; T551-V567 PolarHBondContact OG1-O 3.41Å; T551-T568 CarbonylContact O-C 3.55Å; T551-T568 VanDerWaalsContact O-CA 3.26Å; T551-T568 WeakPolarHBondContact O-CA 3.4Å; T551-V569 PolarHBondContact O-N 3.42Å; T551-P594 HydrophobicContact CG2-CB 4.32Å; T551-P594 HydrophobicContact CG2-CG 4.17Å; T551-P594 WeakPolarHBondContact OG1-CB 3.33Å; T551-P594 WeakPolarHBondContact OG1-CG 3.41Å
552P91.5Very high79.7Confident25 Ų2561.3 Ų61.316%0.16233%0.331CS..  trans-65.8165.6157.931.2-34.5000109.8E519 L520 F554 V555E519-P552 HydrophobicContact CB-CG 4.38Å; L520-P552 HydrophobicContact CD1-CB 4.14Å; P552-F554 WeakPolarHBondContact CG-O 3.34Å; P552-F554 PolarHBondContact O-N 3.27Å; P552-V555 HydrophobicContact CG-CG1 3.66Å
553F92.6Very high79.8Confident16 Ų1659.7 Ų59.77%0.0733%0.329CS..SBendtrans-58.9-30.2-179.6-62.9-63.3000113.7T568 V569 A591 P594 V595 L621 Y625 A628F553-T568 HydrophobicContact CD1-CG2 3.96Å; F553-V569 HydrophobicContact CE2-CG2 4.47Å; F553-V569 HydrophobicContact CZ-CG2 4.41Å; F553-A591 VanDerWaalsContact CD1-O 3.3Å; F553-A591 WeakPolarHBondContact CD1-O 3.44Å; F553-A591 HydrophobicContact CE1-CB 4.42Å; F553-A591 WeakPolarHBondContact CE1-O 3.26Å; F553-P594 WeakPolarHBondContact O-CA 3.16Å; F553-V595 PolarHBondContact O-N 2.87Å; F553-L621 HydrophobicContact CE1-CD1 4.02Å; F553-L621 HydrophobicContact CZ-CD1 4.09Å; F553-Y625 HydrophobicContact CB-CD2 3.99Å; F553-Y625 HydrophobicContact CB-CE2 3.99Å; F553-Y625 AromaticContact CD1-CD2 3.53Å; F553-Y625 HydrophobicContact CD1-CD2 3.53Å; F553-Y625 AromaticContact CD1-CE2 3.93Å; F553-Y625 HydrophobicContact CD1-CE2 3.93Å; F553-Y625 HydrophobicContact CD2-CD2 4.19Å; F553-Y625 AromaticContact CE1-CD2 3.98Å; F553-Y625 HydrophobicContact CE1-CD2 3.98Å; F553-Y625 AromaticContact CG-CD2 3.64Å; F553-Y625 HydrophobicContact CG-CD2 3.64Å; F553-Y625 HydrophobicContact CG-CE2 4.09Å; F553-Y625 HydrophobicContact CZ-CD2 4.49Å; F553-A628 HydrophobicContact CD2-CB 4.14Å
554F92.1Very high80.4Confident19 Ų1955.4 Ų55.48%0.08331%0.311CS..EExtended strand (participates in β ladder)trans-130.4132.5-175.2-46.6-51.9000108.9P552 V595 H597 Y625 A628 L629 A683 W686P552-F554 WeakPolarHBondContact CG-O 3.34Å; P552-F554 PolarHBondContact O-N 3.27Å; F554-V595 WeakPolarHBondContact CA-O 3.27Å; F554-V595 HydrophobicContact CD1-CB 4.12Å; F554-H597 HydrophobicContact CB-CB 4.46Å; F554-Y625 HydrophobicContact CE1-CE1 4.15Å; F554-Y625 AromaticContact CE1-CE2 3.8Å; F554-Y625 HydrophobicContact CE1-CE2 3.8Å; F554-Y625 AromaticContact CE1-CZ 3.58Å; F554-Y625 HydrophobicContact CZ-CD1 4.12Å; F554-Y625 HydrophobicContact CZ-CD2 4.08Å; F554-Y625 AromaticContact CZ-CE1 3.78Å; F554-Y625 HydrophobicContact CZ-CE1 3.78Å; F554-Y625 AromaticContact CZ-CE2 3.74Å; F554-Y625 HydrophobicContact CZ-CE2 3.74Å; F554-Y625 HydrophobicContact CZ-CG 4.28Å; F554-Y625 AromaticContact CZ-CZ 3.61Å; F554-A628 HydrophobicContact CD2-CB 3.91Å; F554-A628 HydrophobicContact CE2-CB 3.52Å; F554-L629 HydrophobicContact CD2-CD2 4.27Å; F554-L629 HydrophobicContact CE1-CD2 3.99Å; F554-L629 HydrophobicContact CE2-CD2 3.54Å; F554-L629 HydrophobicContact CE2-CG 3.64Å; F554-L629 HydrophobicContact CZ-CD1 4.29Å; F554-L629 HydrophobicContact CZ-CD2 3.4Å; F554-L629 HydrophobicContact CZ-CG 3.56Å; F554-A683 HydrophobicContact CD1-CB 4.45Å; F554-A683 HydrophobicContact CE1-CB 3.65Å; F554-A683 HydrophobicContact CZ-CB 4.2Å; F554-W686 HydrophobicContact CB-CH2 3.84Å; F554-W686 HydrophobicContact CB-CZ3 3.92Å; F554-W686 HydrophobicContact CD1-CH2 4.39Å; F554-W686 AromaticContact CD1-CZ3 3.76Å; F554-W686 HydrophobicContact CD1-CZ3 3.76Å; F554-W686 AromaticContact CD2-CH2 3.82Å; F554-W686 HydrophobicContact CD2-CH2 3.82Å; F554-W686 AromaticContact CD2-CZ3 3.95Å; F554-W686 HydrophobicContact CD2-CZ3 3.95Å; F554-W686 HydrophobicContact CE1-CZ3 4.37Å; F554-W686 AromaticContact CG-CH2 3.72Å; F554-W686 HydrophobicContact CG-CH2 3.72Å; F554-W686 AromaticContact CG-CZ3 3.56Å; F554-W686 HydrophobicContact CG-CZ3 3.56Å
555V89.7Confident81.6Confident0 Ų051 Ų510%029%0.291CS..EExtended strand (participates in β ladder)trans-134.6151.2-179.5-69.60000111.6E519 P552 L558 P594 V595 L596 H597E519-V555 WeakPolarHBondContact OE2-CA 3.38Å; E519-V555 WeakPolarHBondContact OE2-CB 3.34Å; P552-V555 HydrophobicContact CG-CG1 3.66Å; V555-L558 HydrophobicContact CG2-CD1 4.47Å; V555-L558 HydrophobicContact CG2-CD2 3.9Å; V555-L558 HydrophobicContact CG2-CG 3.86Å; V555-P594 HydrophobicContact CG2-CB 4.05Å; V555-V595 PolarHBondContact N-O 3.01Å; V555-V595 VanDerWaalsContact N-O 3.07Å; V555-L596 HydrophobicContact CG2-CD2 4.18Å; V555-L596 WeakPolarHBondContact O-CA 3Å; V555-H597 VanDerWaalsContact C-CD2 3.47Å; V555-H597 PolarHBondContact O-CD2 3.31Å; V555-H597 PolarHBondContact O-N 2.87Å
556T84.9Confident82.4Confident89 Ų8946.4 Ų46.455%0.54626%0.264SS..SBendtrans-78.2-30.6176.375.50000112.3E519E519-T556 PolarHBondContact OE1-N 3.49Å; E519-T556 PolarHBondContact OE1-OG1 3.44Å; E519-T556 PolarHBondContact OE2-N 2.9Å
557N83.4Confident82.9Confident100 Ų10046.1 Ų46.154%0.53526%0.262SS..  trans-152153.3-177.5-162.5-3.3000110.4H517H517-N557 PolarHBondContact CE1-O 3.18Å; H517-N557 VanDerWaalsContact CE1-O 3.25Å
558L81.9Confident83.2Confident37 Ų3742.9 Ų42.919%0.19425%0.245CC..  trans-120.3131173.6-77.2167.8000109.1T551 V555 F566 P594 L596T551-L558 HydrophobicContact CG2-CD2 4.37Å; V555-L558 HydrophobicContact CG2-CD1 4.47Å; V555-L558 HydrophobicContact CG2-CD2 3.9Å; V555-L558 HydrophobicContact CG2-CG 3.86Å; L558-F566 HydrophobicContact CD2-CD1 3.84Å; L558-F566 HydrophobicContact CD2-CE1 4.1Å; L558-F566 HydrophobicContact CD2-CG 4.32Å; L558-P594 HydrophobicContact CD1-CG 4.39Å; L558-P594 HydrophobicContact CD2-CG 4.03Å; L558-L596 HydrophobicContact CD1-CD1 4.21Å; L558-L596 HydrophobicContact CD1-CD2 4.36Å; L558-L596 HydrophobicContact CD1-CG 4.03Å; L558-L596 HydrophobicContact CG-CD2 4.18Å; L558-L596 HydrophobicContact CG-CG 4.4Å
559P74.1Confident83.2Confident22 Ų2243.1 Ų43.114%0.14325%0.248CC..  trans-66.4141.5-179.829.1-34.6000110.7L549 I561 F566L549-P559 HydrophobicContact CD2-CG 3.6Å; P559-I561 HydrophobicContact CB-CD1 3.9Å; P559-I561 HydrophobicContact CB-CG1 4.16Å; P559-I561 HydrophobicContact CG-CD1 4.08Å; P559-I561 PolarHBondContact O-N 2.93Å; P559-F566 HydrophobicContact CG-CE1 4.29Å
560L64.2Low83.2Confident172 Ų17243 Ų4390%0.90125%0.248SC*.  trans-77.633.8-170.2-145.488.3000114.1S562L560-S562 PolarHBondContact O-N 2.66Å
561I64.4Low83.3Confident39 Ų3943 Ų4320%0.225%0.248CC..  trans-83.9110.6-172.1-59.4164.3000109.3E543 P559 S563E543-I561 HydrophobicContact CB-CD1 4.04Å; E543-I561 HydrophobicContact CG-CD1 4.21Å; P559-I561 HydrophobicContact CB-CD1 3.9Å; P559-I561 HydrophobicContact CB-CG1 4.16Å; P559-I561 HydrophobicContact CG-CD1 4.08Å; P559-I561 PolarHBondContact O-N 2.93Å; I561-S563 PolarHBondContact O-N 3.41Å; I561-S563 VanDerWaalsContact O-N 3.13Å
562S56Low83.2Confident130 Ų13043 Ų4391%0.90925%0.248SC*.THydrogen-bonded Turntrans-78.29.8-170.7-42.10000115.7L560L560-S562 PolarHBondContact O-N 2.66Å
563S69.9Low83.2Confident87 Ų8744.2 Ų44.261%0.60826%0.257SS*.THydrogen-bonded Turntrans-125.1-4.7-167.561.60000116.4I561I561-S563 PolarHBondContact O-N 3.41Å; I561-S563 VanDerWaalsContact O-N 3.13Å
564C77.9Confident83Confident19 Ų1945.6 Ų45.613%0.12826%0.263CS..SBendtrans-118.9145.4-179.5580000111.7N547N547-C564 WeakPolarHBondContact O-CA 3.36Å
565E85.1Confident83Confident69 Ų6944.7 Ų44.732%0.32226%0.259SS..EExtended strand (participates in β ladder)trans-88.1130.7173.8-170.9160.6-146.700110.6N547 F548 L549N547-E565 PolarHBondContact O-N 3.09Å; F548-E565 WeakPolarHBondContact CA-O 3.32Å; F548-E565 HydrophobicContact CD1-CB 4.01Å; F548-E565 HydrophobicContact CE1-CB 3.94Å; F548-E565 HydrophobicContact CE1-CG 4.45Å; L549-E565 PolarHBondContact N-O 3.39Å; L549-E565 VanDerWaalsContact N-O 3.1Å
566F88.5Confident82.9Confident53 Ų5347.3 Ų47.323%0.23227%0.272CS..EExtended strand (participates in β ladder)trans-84.4121.2-178.4-57.8-75.6000110.7L549 L558 P559 P594L549-F566 HydrophobicContact CB-CD1 4.03Å; L549-F566 HydrophobicContact CB-CE1 4.39Å; L549-F566 HydrophobicContact CD2-CD1 3.79Å; L549-F566 HydrophobicContact CD2-CE1 3.66Å; L549-F566 HydrophobicContact CG-CD1 4.4Å; L558-F566 HydrophobicContact CD2-CD1 3.84Å; L558-F566 HydrophobicContact CD2-CE1 4.1Å; L558-F566 HydrophobicContact CD2-CG 4.32Å; P559-F566 HydrophobicContact CG-CE1 4.29Å; F566-P594 HydrophobicContact CB-CG 3.86Å
567V91.8Very high82.9Confident0 Ų048.3 Ų48.30%027%0.27CS..EExtended strand (participates in β ladder)trans-133.5149.6-176.6-65.90000111.2F548 L549 V550 T551 W571 I586 F592F548-V567 HydrophobicContact CB-CG2 3.98Å; F548-V567 HydrophobicContact CD1-CG1 3.84Å; F548-V567 HydrophobicContact CD1-CG2 4.15Å; F548-V567 HydrophobicContact CE1-CG1 4.37Å; F548-V567 HydrophobicContact CG-CG2 4.42Å; L549-V567 PolarHBondContact O-N 3.47Å; L549-V567 VanDerWaalsContact O-N 3.08Å; V550-V567 CarbonylContact C-O 3.58Å; V550-V567 WeakPolarHBondContact CA-O 3.38Å; V550-V567 HydrophobicContact CG2-CG2 4.37Å; T551-V567 PolarHBondContact N-O 2.86Å; T551-V567 PolarHBondContact OG1-O 3.41Å; V567-W571 HydrophobicContact CB-CB 4.4Å; V567-W571 HydrophobicContact CB-CD2 4.21Å; V567-W571 HydrophobicContact CB-CE3 3.66Å; V567-W571 HydrophobicContact CB-CZ3 4.3Å; V567-W571 HydrophobicContact CG1-CD2 4.05Å; V567-W571 HydrophobicContact CG1-CE3 3.71Å; V567-W571 HydrophobicContact CG1-CZ3 4.06Å; V567-W571 HydrophobicContact CG2-CE3 3.74Å; V567-W571 HydrophobicContact CG2-CZ3 4.04Å; V567-I586 HydrophobicContact CG1-CD1 3.95Å; V567-F592 WeakPolarHBondContact CA-O 3.4Å
568T93.7Very high83Confident0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-92.2162.8178.270.30000112.5T551 F553 G570 W571 I572 A591 F592T551-T568 CarbonylContact O-C 3.55Å; T551-T568 VanDerWaalsContact O-CA 3.26Å; T551-T568 WeakPolarHBondContact O-CA 3.4Å; F553-T568 HydrophobicContact CD1-CG2 3.96Å; T568-G570 PolarHBondContact O-N 2.73Å; T568-G570 VanDerWaalsContact O-N 3.11Å; T568-G570 PolarHBondContact OG1-N 3.1Å; T568-W571 PolarHBondContact O-N 2.96Å; T568-I572 PolarHBondContact O-N 2.92Å; T568-A591 WeakPolarHBondContact CG2-O 3.41Å; T568-A591 PolarHBondContact OG1-O 2.82Å; T568-F592 PolarHBondContact N-O 3.48Å; T568-F592 WeakPolarHBondContact OG1-CA 3.48Å
569V91.8Very high83.2Confident19 Ų1954.6 Ų54.612%0.11529%0.293CS..Hα-helixtrans-54.4-23.8167.4-68.60000114.1L520 D524 V550 T551 F553 S573L520-V569 HydrophobicContact CD1-CG1 3.67Å; L520-V569 HydrophobicContact CD2-CG1 4.2Å; D524-V569 HydrophobicContact CB-CG1 4.48Å; V550-V569 HydrophobicContact CG1-CG1 3.92Å; T551-V569 PolarHBondContact O-N 3.42Å; F553-V569 HydrophobicContact CE2-CG2 4.47Å; F553-V569 HydrophobicContact CZ-CG2 4.41Å; V569-S573 PolarHBondContact O-N 3.39Å; V569-S573 VanDerWaalsContact O-N 3.13Å; V569-S573 PolarHBondContact O-OG 3.45Å
570G89.7Confident83.8Confident6 Ų656.5 Ų56.56%0.06231%0.307CS..Hα-helixtrans-65.8-39.2172.200000112.9T568 S573 Y574T568-G570 PolarHBondContact O-N 2.73Å; T568-G570 VanDerWaalsContact O-N 3.11Å; T568-G570 PolarHBondContact OG1-N 3.1Å; G570-S573 PolarHBondContact O-N 3.18Å; G570-Y574 PolarHBondContact O-N 3.04Å
571W93.4Very high84.8Confident0 Ų051 Ų510%028%0.278CS..Hα-helixtrans-70.5-40.9177.6-178.171.6000112.4F514 F548 V567 T568 S573 Y574 C575 L581 C582 L583 I586 F592F514-W571 HydrophobicContact CE1-CZ3 4.28Å; F548-W571 HydrophobicContact CD1-CH2 4.3Å; F548-W571 HydrophobicContact CD1-CZ3 4.13Å; F548-W571 HydrophobicContact CE1-CH2 4.03Å; F548-W571 HydrophobicContact CE1-CZ3 4.33Å; F548-W571 HydrophobicContact CE2-CH2 4.48Å; F548-W571 HydrophobicContact CG-CZ3 4.33Å; F548-W571 HydrophobicContact CZ-CH2 4.16Å; V567-W571 HydrophobicContact CB-CB 4.4Å; V567-W571 HydrophobicContact CB-CD2 4.21Å; V567-W571 HydrophobicContact CB-CE3 3.66Å; V567-W571 HydrophobicContact CB-CZ3 4.3Å; V567-W571 HydrophobicContact CG1-CD2 4.05Å; V567-W571 HydrophobicContact CG1-CE3 3.71Å; V567-W571 HydrophobicContact CG1-CZ3 4.06Å; V567-W571 HydrophobicContact CG2-CE3 3.74Å; V567-W571 HydrophobicContact CG2-CZ3 4.04Å; T568-W571 PolarHBondContact O-N 2.96Å; W571-S573 VanDerWaalsContact C-N 3.28Å; W571-S573 PolarHBondContact O-N 3.01Å; W571-Y574 WeakPolarHBondContact O-CB 3.36Å; W571-Y574 PolarHBondContact O-N 3.49Å; W571-Y574 VanDerWaalsContact O-N 3.08Å; W571-C575 VanDerWaalsContact CZ2-SG 3.52Å; W571-C575 PolarHBondContact NE1-SG 3.28Å; W571-C575 VanDerWaalsContact NE1-SG 3.45Å; W571-C575 PolarHBondContact O-N 3.23Å; W571-L581 HydrophobicContact CH2-CD1 3.84Å; W571-L581 HydrophobicContact CZ2-CD1 4.15Å; W571-C582 PolarHBondContact NE1-O 3.14Å; W571-L583 HydrophobicContact CH2-CD2 4.4Å; W571-L583 HydrophobicContact CZ2-CD2 4.1Å; W571-I586 HydrophobicContact CD2-CD1 4.25Å; W571-I586 HydrophobicContact CD2-CG1 4.21Å; W571-I586 HydrophobicContact CG-CG1 4.17Å; W571-I586 HydrophobicContact CH2-CD1 4.37Å; W571-I586 HydrophobicContact CZ2-CD1 3.71Å; W571-I586 HydrophobicContact CZ2-CG1 4.24Å; W571-F592 HydrophobicContact CB-CB 3.91Å; W571-F592 HydrophobicContact CB-CD1 3.88Å; W571-F592 HydrophobicContact CB-CD2 4.5Å; W571-F592 HydrophobicContact CB-CG 3.84Å; W571-F592 AromaticContact CD1-CD2 3.74Å; W571-F592 AromaticContact CD1-CG 3.92Å; W571-F592 HydrophobicContact CG-CB 4.36Å; W571-F592 HydrophobicContact CG-CG 4.29Å
572I91.6Very high85.8Confident1 Ų150 Ų501%0.00527%0.274CS..Hα-helixtrans-56.9-46.1173.4-59.5-64.1000110.1F509 F514 I531 I532 V550 T568 Y574 I576F509-I572 HydrophobicContact CE2-CG2 4.24Å; F509-I572 HydrophobicContact CZ-CD1 4.23Å; F509-I572 HydrophobicContact CZ-CG2 4.37Å; F514-I572 HydrophobicContact CD1-CD1 4.03Å; F514-I572 HydrophobicContact CE1-CD1 3.6Å; I531-I572 HydrophobicContact CG2-CG2 4.32Å; I532-I572 HydrophobicContact CD1-CD1 4.22Å; I532-I572 HydrophobicContact CD1-CG2 4.42Å; I532-I572 HydrophobicContact CG1-CD1 4.49Å; I532-I572 HydrophobicContact CG1-CG2 4.11Å; V550-I572 HydrophobicContact CG1-CG1 4.12Å; V550-I572 HydrophobicContact CG2-CD1 4.02Å; V550-I572 HydrophobicContact CG2-CG1 4.18Å; T568-I572 PolarHBondContact O-N 2.92Å; I572-Y574 VanDerWaalsContact C-N 3.31Å; I572-Y574 PolarHBondContact O-N 3.24Å; I572-I576 WeakPolarHBondContact O-CG1 3.31Å; I572-I576 PolarHBondContact O-N 3.43Å
573S90.4Very high87Confident50 Ų5047.3 Ų47.335%0.3525%0.249SC..Hα-helixtrans-61.6-37.8176.5-55.60000112.3V569 G570 W571 H577V569-S573 PolarHBondContact O-N 3.39Å; V569-S573 VanDerWaalsContact O-N 3.13Å; V569-S573 PolarHBondContact O-OG 3.45Å; G570-S573 PolarHBondContact O-N 3.18Å; W571-S573 VanDerWaalsContact C-N 3.28Å; W571-S573 PolarHBondContact O-N 3.01Å; S573-H577 PolarHBondContact O-N 3.48Å; S573-H577 VanDerWaalsContact O-N 3.12Å
574Y89.5Confident87.5Confident46 Ų4650.5 Ų50.518%0.1826%0.255CS..Hα-helixtrans-67.9-49.4178.5-169.5-83.4000113.5G570 W571 I572 I576 H577 E578 C582 E585 F592 N617G570-Y574 PolarHBondContact O-N 3.04Å; W571-Y574 WeakPolarHBondContact O-CB 3.36Å; W571-Y574 PolarHBondContact O-N 3.49Å; W571-Y574 VanDerWaalsContact O-N 3.08Å; I572-Y574 VanDerWaalsContact C-N 3.31Å; I572-Y574 PolarHBondContact O-N 3.24Å; Y574-I576 PolarHBondContact O-N 3.17Å; Y574-H577 PolarHBondContact O-N 2.85Å; Y574-H577 VanDerWaalsContact O-N 3.16Å; Y574-E578 HydrophobicContact CD1-CG 4.06Å; Y574-E578 HydrophobicContact CE1-CG 3.66Å; Y574-E578 PolarHBondContact O-N 3.32Å; Y574-C582 HydrophobicContact CD1-CB 3.83Å; Y574-C582 HydrophobicContact CE1-CB 3.83Å; Y574-E585 HydrophobicContact CE1-CG 4.08Å; Y574-F592 HydrophobicContact CD1-CE2 4.33Å; Y574-F592 HydrophobicContact CD1-CZ 4.28Å; Y574-F592 HydrophobicContact CD2-CE1 4.36Å; Y574-F592 HydrophobicContact CD2-CE2 4.15Å; Y574-F592 AromaticContact CD2-CZ 3.44Å; Y574-F592 HydrophobicContact CD2-CZ 3.44Å; Y574-F592 VanDerWaalsContact CD2-CZ 3.44Å; Y574-F592 HydrophobicContact CE2-CZ 4.12Å; Y574-F592 HydrophobicContact CG-CE1 4.37Å; Y574-F592 HydrophobicContact CG-CE2 4.04Å; Y574-F592 AromaticContact CG-CZ 3.54Å; Y574-F592 HydrophobicContact CG-CZ 3.54Å; Y574-N617 WeakPolarHBondContact CA-ND2 3.3Å; Y574-N617 WeakPolarHBondContact CD2-ND2 3.42Å
575C90.4Very high87.8Confident0 Ų051.7 Ų51.70%026%0.258CS..Hα-helixtrans-62.1-27.6178.8-68.90000113.6F509 W571 K579 S580 C582F509-C575 HydrophobicContact CE1-CB 3.59Å; F509-C575 HydrophobicContact CZ-CB 3.76Å; W571-C575 VanDerWaalsContact CZ2-SG 3.52Å; W571-C575 PolarHBondContact NE1-SG 3.28Å; W571-C575 VanDerWaalsContact NE1-SG 3.45Å; W571-C575 PolarHBondContact O-N 3.23Å; C575-K579 CarbonylContact O-C 3.55Å; C575-K579 WeakPolarHBondContact O-CA 3.3Å; C575-K579 PolarHBondContact O-N 2.97Å; C575-S580 VanDerWaalsContact CA-O 3.25Å; C575-S580 WeakPolarHBondContact CA-O 3.27Å; C575-S580 WeakPolarHBondContact CB-O 3.34Å; C575-S580 PolarHBondContact O-N 3.36Å; C575-C582 PolarHBondContact SG-N 2.85Å
576I88.3Confident87.7Confident55 Ų5548.6 Ų48.628%0.28224%0.244SC..Hα-helixtrans-78.3-39.2176.8-66.2-76.3000111.2F509 I531 A535 I572 Y574 K579F509-I576 HydrophobicContact CD2-CD1 4.32Å; F509-I576 HydrophobicContact CE2-CD1 3.71Å; F509-I576 HydrophobicContact CE2-CG1 3.96Å; F509-I576 HydrophobicContact CZ-CD1 4.2Å; F509-I576 HydrophobicContact CZ-CG1 4.1Å; I531-I576 HydrophobicContact CG2-CB 4.33Å; I531-I576 HydrophobicContact CG2-CD1 3.55Å; I531-I576 HydrophobicContact CG2-CG1 3.45Å; I531-I576 VanDerWaalsContact CG2-CG1 3.45Å; I531-I576 HydrophobicContact CG2-CG2 4.22Å; A535-I576 HydrophobicContact CB-CD1 3.45Å; A535-I576 VanDerWaalsContact CB-CD1 3.45Å; I572-I576 WeakPolarHBondContact O-CG1 3.31Å; I572-I576 PolarHBondContact O-N 3.43Å; Y574-I576 PolarHBondContact O-N 3.17Å; I576-K579 PolarHBondContact O-N 3.23Å
577H85.6Confident87.3Confident109 Ų10955.9 Ų55.951%0.50527%0.27SS..Hα-helixtrans-62.3-49.2173.1-175.1-84.7000111.6S573 Y574 K579S573-H577 PolarHBondContact O-N 3.48Å; S573-H577 VanDerWaalsContact O-N 3.12Å; Y574-H577 PolarHBondContact O-N 2.85Å; Y574-H577 VanDerWaalsContact O-N 3.16Å; H577-K579 PolarHBondContact O-N 2.9Å
578E84.9Confident86.9Confident94 Ų9462.4 Ų62.444%0.43930%0.298SS..THydrogen-bonded Turntrans-77.7-5.9178.1-61.8-51.4113.400113.7Y574 S580Y574-E578 HydrophobicContact CD1-CG 4.06Å; Y574-E578 HydrophobicContact CE1-CG 3.66Å; Y574-E578 PolarHBondContact O-N 3.32Å; E578-S580 PolarHBondContact O-N 3.18Å; E578-S580 VanDerWaalsContact O-N 3.16Å
579K85.8Confident86.7Confident175 Ų17563.6 Ų63.676%0.76130%0.303SS*.THydrogen-bonded Turntrans52.232.6-176.8-53.8-176.9-178.7-1750113.4C575 I576 H577C575-K579 CarbonylContact O-C 3.55Å; C575-K579 WeakPolarHBondContact O-CA 3.3Å; C575-K579 PolarHBondContact O-N 2.97Å; I576-K579 PolarHBondContact O-N 3.23Å; H577-K579 PolarHBondContact O-N 2.9Å
580S86.8Confident86.5Confident63 Ų6365.9 Ų65.944%0.44132%0.32SS..SBendtrans-150.4152.9-168.6-172.20000111.4C575 E578 C582C575-S580 VanDerWaalsContact CA-O 3.25Å; C575-S580 WeakPolarHBondContact CA-O 3.27Å; C575-S580 WeakPolarHBondContact CB-O 3.34Å; C575-S580 PolarHBondContact O-N 3.36Å; E578-S580 PolarHBondContact O-N 3.18Å; E578-S580 VanDerWaalsContact O-N 3.16Å; S580-C582 PolarHBondContact O-N 3.4Å; S580-C582 VanDerWaalsContact O-N 3.12Å; S580-C582 PolarHBondContact O-SG 2.77Å; S580-C582 VanDerWaalsContact O-SG 3.38Å
581L86Confident86.5Confident56 Ų5665.6 Ų65.629%0.29332%0.317SS..  trans-83.586.7-179.3-168.874.9000110.9F509 L512 W571 L583F509-L581 HydrophobicContact CD1-CD1 3.83Å; F509-L581 HydrophobicContact CE1-CD1 4.05Å; L512-L581 HydrophobicContact CD1-CD1 3.45Å; L512-L581 VanDerWaalsContact CD1-CD1 3.45Å; L512-L581 HydrophobicContact CD1-CD2 3.87Å; L512-L581 HydrophobicContact CD1-CG 4.32Å; W571-L581 HydrophobicContact CH2-CD1 3.84Å; W571-L581 HydrophobicContact CZ2-CD1 4.15Å; L581-L583 HydrophobicContact CD2-CD1 3.95Å; L581-L583 HydrophobicContact CD2-CD2 4.39Å; L581-L583 HydrophobicContact CD2-CG 4Å; L581-L583 HydrophobicContact CG-CD2 4.4Å; L581-L583 HydrophobicContact CG-CG 4.04Å; L581-L583 PolarHBondContact O-N 2.9Å
582C83.9Confident86.5Confident19 Ų1965.7 Ų65.713%0.12832%0.317CS..  trans-78.156.4-172-56.50000114W571 Y574 C575 S580 Q584 E585W571-C582 PolarHBondContact NE1-O 3.14Å; Y574-C582 HydrophobicContact CD1-CB 3.83Å; Y574-C582 HydrophobicContact CE1-CB 3.83Å; C575-C582 PolarHBondContact SG-N 2.85Å; S580-C582 PolarHBondContact O-N 3.4Å; S580-C582 VanDerWaalsContact O-N 3.12Å; S580-C582 PolarHBondContact O-SG 2.77Å; S580-C582 VanDerWaalsContact O-SG 3.38Å; C582-Q584 VanDerWaalsContact C-N 3.29Å; C582-Q584 PolarHBondContact O-N 2.99Å; C582-E585 HydrophobicContact CB-CB 4.45Å; C582-E585 HydrophobicContact CB-CG 4.14Å; C582-E585 PolarHBondContact O-N 3.45Å
583L83Confident86.4Confident72 Ų7270 Ų7038%0.37734%0.336SS..G310 helixtrans-58.2-37179.2-69.5174.9000113.6F548 W571 L581 E585 I586F548-L583 HydrophobicContact CE1-CD2 4.05Å; F548-L583 HydrophobicContact CZ-CD2 3.74Å; W571-L583 HydrophobicContact CH2-CD2 4.4Å; W571-L583 HydrophobicContact CZ2-CD2 4.1Å; L581-L583 HydrophobicContact CD2-CD1 3.95Å; L581-L583 HydrophobicContact CD2-CD2 4.39Å; L581-L583 HydrophobicContact CD2-CG 4Å; L581-L583 HydrophobicContact CG-CD2 4.4Å; L581-L583 HydrophobicContact CG-CG 4.04Å; L581-L583 PolarHBondContact O-N 2.9Å; L583-E585 VanDerWaalsContact C-N 3.26Å; L583-E585 PolarHBondContact O-N 2.66Å; L583-I586 HydrophobicContact CD2-CD1 3.88Å; L583-I586 WeakPolarHBondContact O-CB 3.39Å; L583-I586 WeakPolarHBondContact O-CG1 3.4Å; L583-I586 PolarHBondContact O-N 3.12Å
584Q79.7Confident86.5Confident155 Ų15568.5 Ų68.572%0.72433%0.325SS*.G310 helixtrans-68.7-25.3-177.3-71176.3-24.300112.7C582C582-Q584 VanDerWaalsContact C-N 3.29Å; C582-Q584 PolarHBondContact O-N 2.99Å
585E83.6Confident86.5Confident44 Ų4467.9 Ų67.921%0.20633%0.326CS..G310 helixtrans-79.1-21.7179.7-52.5-4612700112.8Y574 C582 L583 R587 K588 E589 F592Y574-E585 HydrophobicContact CE1-CG 4.08Å; C582-E585 HydrophobicContact CB-CB 4.45Å; C582-E585 HydrophobicContact CB-CG 4.14Å; C582-E585 PolarHBondContact O-N 3.45Å; L583-E585 VanDerWaalsContact C-N 3.26Å; L583-E585 PolarHBondContact O-N 2.66Å; E585-R587 PolarHBondContact O-N 2.98Å; E585-K588 PolarHBondContact O-N 3.21Å; E585-K588 IonicContact OE1-NZ 2.8Å; E585-K588 PolarHBondContact OE1-NZ 2.75Å; E585-K588 WeakPolarHBondContact OE2-CD 3.15Å; E585-K588 WeakPolarHBondContact OE2-CE 3.41Å; E585-K588 IonicContact OE2-NZ 2.73Å; E585-K588 PolarHBondContact OE2-NZ 3.01Å; E585-E589 PolarHBondContact O-N 3.02Å; E585-F592 HydrophobicContact CB-CD2 4.17Å; E585-F592 HydrophobicContact CB-CE2 3.87Å
586I83.5Confident86.4Confident3 Ų372.7 Ų72.72%0.01535%0.351CS..G310 helixtrans-54-26.2172.1-57.2173.8000111.5V567 W571 L583 K593V567-I586 HydrophobicContact CG1-CD1 3.95Å; W571-I586 HydrophobicContact CD2-CD1 4.25Å; W571-I586 HydrophobicContact CD2-CG1 4.21Å; W571-I586 HydrophobicContact CG-CG1 4.17Å; W571-I586 HydrophobicContact CH2-CD1 4.37Å; W571-I586 HydrophobicContact CZ2-CD1 3.71Å; W571-I586 HydrophobicContact CZ2-CG1 4.24Å; L583-I586 HydrophobicContact CD2-CD1 3.88Å; L583-I586 WeakPolarHBondContact O-CB 3.39Å; L583-I586 WeakPolarHBondContact O-CG1 3.4Å; L583-I586 PolarHBondContact O-N 3.12Å; I586-K593 HydrophobicContact CG2-CD 4.46Å; I586-K593 HydrophobicContact CG2-CG 4.05Å; I586-K593 VanDerWaalsContact O-CE 3.28Å; I586-K593 WeakPolarHBondContact O-CE 3.44Å
587R79.6Confident86.2Confident207 Ų20772.3 Ų72.378%0.78135%0.348SS*.G310 helixtrans-95-12.2179.3-59.3-173.8-175.8-172.71.2114.4E585E585-R587 PolarHBondContact O-N 2.98Å
588K83.3Confident85.8Confident137 Ų13773.5 Ų73.560%0.59635%0.351SS*.THydrogen-bonded Turntrans-103.7-41.8-178.4-58-169.7-145.3143.80112.7E585E585-K588 PolarHBondContact O-N 3.21Å; E585-K588 IonicContact OE1-NZ 2.8Å; E585-K588 PolarHBondContact OE1-NZ 2.75Å; E585-K588 WeakPolarHBondContact OE2-CD 3.15Å; E585-K588 WeakPolarHBondContact OE2-CE 3.41Å; E585-K588 IonicContact OE2-NZ 2.73Å; E585-K588 PolarHBondContact OE2-NZ 3.01Å
589E89.1Confident85.4Confident24 Ų2475.7 Ų75.711%0.11237%0.374CS..  trans-100.4113.3-174.7-175.152.2-73.600110.5E585 A591 F592 L621 R676 Y680E585-E589 PolarHBondContact O-N 3.02Å; E589-A591 HydrophobicContact CG-CB 4.45Å; E589-A591 PolarHBondContact O-N 2.97Å; E589-F592 HydrophobicContact CB-CD2 3.71Å; E589-F592 HydrophobicContact CB-CE2 3.68Å; E589-F592 HydrophobicContact CB-CG 4.22Å; E589-F592 HydrophobicContact CB-CZ 4.17Å; E589-F592 HydrophobicContact CG-CD1 4.38Å; E589-F592 HydrophobicContact CG-CD2 4.2Å; E589-F592 HydrophobicContact CG-CE1 4.18Å; E589-F592 HydrophobicContact CG-CE2 3.99Å; E589-F592 HydrophobicContact CG-CG 4.37Å; E589-F592 HydrophobicContact CG-CZ 3.95Å; E589-F592 WeakPolarHBondContact O-CB 3.11Å; E589-F592 PolarHBondContact O-N 3.21Å; E589-L621 HydrophobicContact CG-CD2 3.91Å; E589-R676 IonicContact OE2-CZ 2.71Å; E589-R676 IonicContact OE2-NH1 2.85Å; E589-R676 PolarHBondContact OE2-NH1 3.24Å; E589-Y680 WeakPolarHBondContact OE1-CE2 3.28Å; E589-Y680 PolarHBondContact OE1-OH 3.34Å; E589-Y680 PolarHBondContact OE2-OH 3.17Å; E589-Y680 VanDerWaalsContact OE2-OH 3.08Å
590C87.5Confident85.1Confident67 Ų6769.5 Ų69.545%0.45336%0.36SS..G310 helixtrans-63.1-30-170.9-63.60000111.9F592 K593 Y680C590-F592 PolarHBondContact O-N 3.37Å; C590-K593 PolarHBondContact O-N 3.05Å; C590-Y680 HydrophobicContact CB-CD1 4.38Å; C590-Y680 HydrophobicContact CB-CD2 3.56Å; C590-Y680 HydrophobicContact CB-CE2 3.94Å; C590-Y680 HydrophobicContact CB-CG 3.81Å
591A90.9Very high85Confident0 Ų071.5 Ų71.50%037%0.371CS..G310 helixtrans-67.2-10.1177.700000114.4F553 T568 E589 L621 Y625 Y680F553-A591 VanDerWaalsContact CD1-O 3.3Å; F553-A591 WeakPolarHBondContact CD1-O 3.44Å; F553-A591 HydrophobicContact CE1-CB 4.42Å; F553-A591 WeakPolarHBondContact CE1-O 3.26Å; T568-A591 WeakPolarHBondContact CG2-O 3.41Å; T568-A591 PolarHBondContact OG1-O 2.82Å; E589-A591 HydrophobicContact CG-CB 4.45Å; E589-A591 PolarHBondContact O-N 2.97Å; A591-L621 HydrophobicContact CB-CD1 3.96Å; A591-L621 HydrophobicContact CB-CD2 4.17Å; A591-L621 HydrophobicContact CB-CG 4.1Å; A591-Y625 HydrophobicContact CB-CD2 3.55Å; A591-Y625 HydrophobicContact CB-CE2 3.7Å; A591-Y625 HydrophobicContact CB-CG 4.3Å; A591-Y680 HydrophobicContact CB-CE1 4.27Å
592F93.2Very high85.1Confident2 Ų271.3 Ų71.31%0.00937%0.373CS..G310 helixtrans-86.9-9.4177.9-65-16.7000114.5V567 T568 W571 Y574 E585 E589 C590 L621V567-F592 WeakPolarHBondContact CA-O 3.4Å; T568-F592 PolarHBondContact N-O 3.48Å; T568-F592 WeakPolarHBondContact OG1-CA 3.48Å; W571-F592 HydrophobicContact CB-CB 3.91Å; W571-F592 HydrophobicContact CB-CD1 3.88Å; W571-F592 HydrophobicContact CB-CD2 4.5Å; W571-F592 HydrophobicContact CB-CG 3.84Å; W571-F592 AromaticContact CD1-CD2 3.74Å; W571-F592 AromaticContact CD1-CG 3.92Å; W571-F592 HydrophobicContact CG-CB 4.36Å; W571-F592 HydrophobicContact CG-CG 4.29Å; Y574-F592 HydrophobicContact CD1-CE2 4.33Å; Y574-F592 HydrophobicContact CD1-CZ 4.28Å; Y574-F592 HydrophobicContact CD2-CE1 4.36Å; Y574-F592 HydrophobicContact CD2-CE2 4.15Å; Y574-F592 AromaticContact CD2-CZ 3.44Å; Y574-F592 HydrophobicContact CD2-CZ 3.44Å; Y574-F592 VanDerWaalsContact CD2-CZ 3.44Å; Y574-F592 HydrophobicContact CE2-CZ 4.12Å; Y574-F592 HydrophobicContact CG-CE1 4.37Å; Y574-F592 HydrophobicContact CG-CE2 4.04Å; Y574-F592 AromaticContact CG-CZ 3.54Å; Y574-F592 HydrophobicContact CG-CZ 3.54Å; E585-F592 HydrophobicContact CB-CD2 4.17Å; E585-F592 HydrophobicContact CB-CE2 3.87Å; E589-F592 HydrophobicContact CB-CD2 3.71Å; E589-F592 HydrophobicContact CB-CE2 3.68Å; E589-F592 HydrophobicContact CB-CG 4.22Å; E589-F592 HydrophobicContact CB-CZ 4.17Å; E589-F592 HydrophobicContact CG-CD1 4.38Å; E589-F592 HydrophobicContact CG-CD2 4.2Å; E589-F592 HydrophobicContact CG-CE1 4.18Å; E589-F592 HydrophobicContact CG-CE2 3.99Å; E589-F592 HydrophobicContact CG-CG 4.37Å; E589-F592 HydrophobicContact CG-CZ 3.95Å; E589-F592 WeakPolarHBondContact O-CB 3.11Å; E589-F592 PolarHBondContact O-N 3.21Å; C590-F592 PolarHBondContact O-N 3.37Å; F592-L621 HydrophobicContact CD1-CD1 4.41Å; F592-L621 HydrophobicContact CD1-CD2 4.42Å; F592-L621 HydrophobicContact CE1-CD1 3.95Å; F592-L621 HydrophobicContact CE1-CD2 3.57Å; F592-L621 HydrophobicContact CE1-CG 4.43Å; F592-L621 HydrophobicContact CZ-CD2 4.02Å
593K90.4Very high85.5Confident93 Ų9371.3 Ų71.340%0.40437%0.374SS..SBendtrans-111.5143.4172-66.5-169.1174.5-169.20111.1I586 C590I586-K593 HydrophobicContact CG2-CD 4.46Å; I586-K593 HydrophobicContact CG2-CG 4.05Å; I586-K593 VanDerWaalsContact O-CE 3.28Å; I586-K593 WeakPolarHBondContact O-CE 3.44Å; C590-K593 PolarHBondContact O-N 3.05Å
594P90.7Very high86Confident17 Ų1767.9 Ų67.911%0.1136%0.356CS..PPolyproline II helixtrans-67139172.526.6-33.1000111T551 F553 V555 L558 F566T551-P594 HydrophobicContact CG2-CB 4.32Å; T551-P594 HydrophobicContact CG2-CG 4.17Å; T551-P594 WeakPolarHBondContact OG1-CB 3.33Å; T551-P594 WeakPolarHBondContact OG1-CG 3.41Å; F553-P594 WeakPolarHBondContact O-CA 3.16Å; V555-P594 HydrophobicContact CG2-CB 4.05Å; L558-P594 HydrophobicContact CD1-CG 4.39Å; L558-P594 HydrophobicContact CD2-CG 4.03Å; F566-P594 HydrophobicContact CB-CG 3.86Å
595V89.7Confident86.6Confident34 Ų3463.9 Ų63.921%0.20634%0.344CS..EExtended strand (participates in β ladder)trans-101.2131.8170.7-176.10000109F553 F554 V555 H597F553-V595 PolarHBondContact O-N 2.87Å; F554-V595 WeakPolarHBondContact CA-O 3.27Å; F554-V595 HydrophobicContact CD1-CB 4.12Å; V555-V595 PolarHBondContact N-O 3.01Å; V555-V595 VanDerWaalsContact N-O 3.07Å; V595-H597 PolarHBondContact O-N 3.01Å
596L88.5Confident86.8Confident100 Ų10064.8 Ų64.852%0.52437%0.366SS..EExtended strand (participates in β ladder)trans-72.9116.5173.3-82164.5000109.8V555 L558V555-L596 HydrophobicContact CG2-CD2 4.18Å; V555-L596 WeakPolarHBondContact O-CA 3Å; L558-L596 HydrophobicContact CD1-CD1 4.21Å; L558-L596 HydrophobicContact CD1-CD2 4.36Å; L558-L596 HydrophobicContact CD1-CG 4.03Å; L558-L596 HydrophobicContact CG-CD2 4.18Å; L558-L596 HydrophobicContact CG-CG 4.4Å
597H83.7Confident87.4Confident48 Ų4865.3 Ų65.322%0.22237%0.37CS..PPolyproline II helixtrans-98.2152.3-177.287.684.8000112.8F554 V555 V595 W686F554-H597 HydrophobicContact CB-CB 4.46Å; V555-H597 VanDerWaalsContact C-CD2 3.47Å; V555-H597 PolarHBondContact O-CD2 3.31Å; V555-H597 PolarHBondContact O-N 2.87Å; V595-H597 PolarHBondContact O-N 3.01Å; H597-W686 HydrophobicContact CB-CD2 3.62Å; H597-W686 HydrophobicContact CB-CE3 3.54Å; H597-W686 HydrophobicContact CB-CG 4.32Å; H597-W686 HydrophobicContact CB-CH2 3.78Å; H597-W686 HydrophobicContact CB-CZ2 3.86Å; H597-W686 HydrophobicContact CB-CZ3 3.62Å; H597-W686 AromaticContact CG-CZ2 3.9Å; H597-W686 AromaticContact ND1-CE2 3.88Å; H597-W686 AromaticContact ND1-CZ2 3.83Å
598K77.8Confident88.1Confident133 Ų13356.1 Ų56.158%0.57834%0.337SS*.PPolyproline II helixtrans-84.6151.1175.3-66.8168.6-170.8153.90110.1G600 T685K598-G600 PolarHBondContact O-N 3.1Å; K598-G600 VanDerWaalsContact O-N 3.17Å; K598-T685 PolarHBondContact NZ-O 3.06Å
599P75.8Confident88.7Confident140 Ų14049.7 Ų49.791%0.90931%0.309SS*.SBendtrans-60.4118172.1-22.533.8000111
600G79.8Confident89Confident46 Ų4648.5 Ų48.547%0.47430%0.303SS..SBendtrans165.5172.1-176.800000112.1K598K598-G600 PolarHBondContact O-N 3.1Å; K598-G600 VanDerWaalsContact O-N 3.17Å
601P85.2Confident89.3Confident104 Ų10445.5 Ų45.568%0.67528%0.283SS*.SBendtrans-64.1155.9174.429.3-35.2000111.4W686P601-W686 PolarHBondContact O-NE1 3.45Å
602P89.1Confident89.2Confident52 Ų5245.9 Ų45.934%0.33829%0.285SS..  trans-61.3137.7174.7-22.433.6000111.8L604 S605 L629P602-L604 VanDerWaalsContact C-N 3.28Å; P602-L604 PolarHBondContact O-N 2.97Å; P602-S605 WeakPolarHBondContact O-CB 3.37Å; P602-S605 PolarHBondContact O-N 3.46Å; P602-S605 VanDerWaalsContact O-N 3.16Å; P602-S605 PolarHBondContact O-OG 3.39Å; P602-L629 CarbonylContact C-O 3.6Å; P602-L629 VanDerWaalsContact CB-C 3.4Å; P602-L629 WeakPolarHBondContact CB-O 3.35Å
603P91.4Very high88.8Confident20 Ų2048.1 Ų48.113%0.1331%0.308CS..THydrogen-bonded Turntrans-70.8-17.4-164.227.4-36.3000115L629 W686P603-L629 HydrophobicContact CG-CB 4.48Å; P603-L629 HydrophobicContact CG-CD2 3.74Å; P603-W686 HydrophobicContact CG-CD2 4.33Å; P603-W686 HydrophobicContact CG-CE3 4.37Å
604L94.5Very high88.5Confident0 Ų044 Ų440%029%0.291CS..THydrogen-bonded Turntrans-106.520178.3-54.3-177.8000112.3P602 G606 C607 I609 L629 G630 A631 W678 L679 C682 L688P602-L604 VanDerWaalsContact C-N 3.28Å; P602-L604 PolarHBondContact O-N 2.97Å; L604-G606 PolarHBondContact O-N 2.62Å; L604-G606 VanDerWaalsContact O-N 3.09Å; L604-C607 HydrophobicContact CB-CB 4.08Å; L604-C607 VanDerWaalsContact O-CB 3.27Å; L604-C607 WeakPolarHBondContact O-CB 3.48Å; L604-C607 PolarHBondContact O-N 3.04Å; L604-I609 HydrophobicContact CD1-CD1 4.06Å; L604-L629 WeakPolarHBondContact CA-O 3.39Å; L604-L629 HydrophobicContact CB-CB 4.2Å; L604-L629 WeakPolarHBondContact CB-O 3.37Å; L604-L629 HydrophobicContact CD1-CB 3.76Å; L604-L629 HydrophobicContact CD1-CD1 3.78Å; L604-L629 HydrophobicContact CD1-CG 4.43Å; L604-L629 HydrophobicContact CG-CB 3.93Å; L604-L629 HydrophobicContact CG-CD1 4.45Å; L604-L629 PolarHBondContact N-O 2.79Å; L604-G630 CarbonylContact O-C 3.51Å; L604-A631 HydrophobicContact CB-CB 3.87Å; L604-A631 HydrophobicContact CD1-CB 4.29Å; L604-W678 HydrophobicContact CD1-CH2 4.5Å; L604-W678 HydrophobicContact CD1-CZ3 4.18Å; L604-W678 HydrophobicContact CD2-CH2 3.65Å; L604-W678 HydrophobicContact CD2-CZ2 4.18Å; L604-W678 HydrophobicContact CD2-CZ3 4.12Å; L604-L679 HydrophobicContact CD1-CD2 3.57Å; L604-C682 HydrophobicContact CD2-CB 4.14Å; L604-L688 HydrophobicContact CD2-CD1 3.51Å
605S90.4Very high88Confident70 Ų7048.9 Ų48.949%0.4932%0.32SS..THydrogen-bonded Turntrans-57.3112.3177.4-65.60000111.4P602P602-S605 WeakPolarHBondContact O-CB 3.37Å; P602-S605 PolarHBondContact O-N 3.46Å; P602-S605 VanDerWaalsContact O-N 3.16Å; P602-S605 PolarHBondContact O-OG 3.39Å
606G89.4Confident87.6Confident64 Ų6450 Ų5066%0.6634%0.339SS*.THydrogen-bonded Turntrans93.5-6.7-176.800000114.8L604L604-G606 PolarHBondContact O-N 2.62Å; L604-G606 VanDerWaalsContact O-N 3.09Å
607C94.5Very high87.3Confident14 Ų1447 Ų4710%0.09532%0.323CS..  trans-71.6129.6167.8-60.70000110L604 I609 A631 V632L604-C607 HydrophobicContact CB-CB 4.08Å; L604-C607 VanDerWaalsContact O-CB 3.27Å; L604-C607 WeakPolarHBondContact O-CB 3.48Å; L604-C607 PolarHBondContact O-N 3.04Å; C607-I609 HydrophobicContact CB-CG1 4.41Å; C607-A631 HydrophobicContact CB-CB 4.34Å; C607-A631 CarbonylContact O-C 3.49Å; C607-A631 VanDerWaalsContact O-CA 3.31Å; C607-A631 WeakPolarHBondContact O-CA 3.5Å; C607-V632 PolarHBondContact O-N 3.17Å
608V96Very high87.4Confident14 Ų1447 Ų479%0.08533%0.325CS..EExtended strand (participates in β ladder)trans-103.2122.6168.8-176.10000108.2V632 Q634 A648 A649 T651 H652V608-V632 CarbonylContact C-O 3.51Å; V608-V632 VanDerWaalsContact CA-O 3.32Å; V608-V632 WeakPolarHBondContact CA-O 3.5Å; V608-V632 HydrophobicContact CG2-CB 4.36Å; V608-Q634 VanDerWaalsContact CG1-CD 3.46Å; V608-Q634 HydrophobicContact CG1-CG 3.75Å; V608-A648 HydrophobicContact CB-CB 4.45Å; V608-A648 HydrophobicContact CG1-CB 3.99Å; V608-A648 HydrophobicContact CG2-CB 3.65Å; V608-A649 VanDerWaalsContact CB-O 3.24Å; V608-A649 WeakPolarHBondContact CB-O 3.49Å; V608-A649 WeakPolarHBondContact CG2-O 3.49Å; V608-T651 HydrophobicContact CB-CG2 4.17Å; V608-T651 HydrophobicContact CG2-CG2 4.38Å; V608-T651 PolarHBondContact N-OG1 2.69Å; V608-T651 PolarHBondContact O-N 2.98Å; V608-T651 PolarHBondContact O-OG1 3.06Å; V608-H652 PolarHBondContact O-N 3.09Å; V608-H652 VanDerWaalsContact O-N 3.1Å
609I95.9Very high88Confident1 Ų142.5 Ų42.51%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-119.1137.6-170.5-61.9-175.8000110.3L604 C607 A626 A631 V632 V633 Q634 H652 V654 W678 L679L604-I609 HydrophobicContact CD1-CD1 4.06Å; C607-I609 HydrophobicContact CB-CG1 4.41Å; I609-A626 HydrophobicContact CD1-CB 4.31Å; I609-A631 HydrophobicContact CD1-CB 3.53Å; I609-A631 HydrophobicContact CG1-CB 3.96Å; I609-V632 PolarHBondContact N-O 3.24Å; I609-V633 CarbonylContact O-C 3.52Å; I609-V633 WeakPolarHBondContact O-CA 3.32Å; I609-Q634 PolarHBondContact O-N 2.72Å; I609-H652 HydrophobicContact CG1-CB 4.3Å; I609-V654 HydrophobicContact CG2-CB 4.17Å; I609-V654 HydrophobicContact CG2-CG2 3.66Å; I609-W678 HydrophobicContact CD1-CZ3 4Å; I609-L679 HydrophobicContact CD1-CD2 3.91Å
610S94.6Very high88.6Confident0 Ų037.5 Ų37.50%028%0.278CS..EExtended strand (participates in β ladder)trans-120.8139.4168.1-60.10000110.8Q634 C636 S650 H652 V654S610-Q634 WeakPolarHBondContact CA-O 3.31Å; S610-Q634 WeakPolarHBondContact CB-O 3.33Å; S610-Q634 PolarHBondContact OG-O 3Å; S610-C636 PolarHBondContact OG-O 2.95Å; S610-S650 PolarHBondContact OG-OG 3.35Å; S610-H652 PolarHBondContact N-O 3.37Å; S610-H652 VanDerWaalsContact N-O 3.16Å; S610-V654 PolarHBondContact O-N 3.15Å
611L93.4Very high89.2Confident4 Ų435.7 Ų35.72%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-98.8125.8-175.8-72.2164.9000111.5F614 R619 L622 T623 V633 V654L611-F614 HydrophobicContact CB-CD2 4.28Å; L611-F614 HydrophobicContact CD2-CD2 3.82Å; L611-F614 HydrophobicContact CD2-CE2 4.12Å; L611-R619 HydrophobicContact CD1-CG 4.12Å; L611-R619 PolarHBondContact O-NH1 3.14Å; L611-R619 PolarHBondContact O-NH2 2.85Å; L611-L622 HydrophobicContact CD1-CB 4.21Å; L611-L622 HydrophobicContact CD2-CB 4.01Å; L611-L622 HydrophobicContact CD2-CD1 4.22Å; L611-T623 WeakPolarHBondContact CD1-OG1 3.33Å; L611-V633 HydrophobicContact CD1-CG1 4.06Å; L611-V633 HydrophobicContact CG-CG1 4.49Å; L611-V654 CarbonylContact C-O 3.19Å; L611-V654 WeakPolarHBondContact CA-O 3.49Å; L611-V654 HydrophobicContact CD2-CB 3.92Å; L611-V654 HydrophobicContact CD2-CG1 3.86Å
612S89.5Confident89.7Confident8 Ų830.8 Ų30.86%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-118.7136.1177.9-164.30000112.1F614 V654 A655 A656S612-F614 WeakPolarHBondContact O-CD2 3.37Å; S612-F614 WeakPolarHBondContact O-CE2 3.39Å; S612-F614 PolarHBondContact O-N 3.32Å; S612-V654 PolarHBondContact N-O 2.86Å; S612-A655 WeakPolarHBondContact O-CA 3.33Å; S612-A656 PolarHBondContact O-N 3.17Å
613G83.7Confident89.9Confident48 Ų4829.7 Ų29.750%0.49522%0.218SC..SBendtrans73.9-4.1177.800000116.2
614F85.2Confident90Very high8 Ų831.4 Ų31.44%0.03523%0.23CC..  trans-91.9133.8172.3-55.5-80.9000111.1L611 S612 R619 L622 V654 A655 A656 R676L611-F614 HydrophobicContact CB-CD2 4.28Å; L611-F614 HydrophobicContact CD2-CD2 3.82Å; L611-F614 HydrophobicContact CD2-CE2 4.12Å; S612-F614 WeakPolarHBondContact O-CD2 3.37Å; S612-F614 WeakPolarHBondContact O-CE2 3.39Å; S612-F614 PolarHBondContact O-N 3.32Å; F614-R619 HydrophobicContact CB-CB 4.28Å; F614-R619 PolarHBondContact O-NH1 3.35Å; F614-L622 HydrophobicContact CB-CD1 4.49Å; F614-L622 HydrophobicContact CD1-CD1 3.43Å; F614-L622 VanDerWaalsContact CD1-CD1 3.43Å; F614-L622 HydrophobicContact CD2-CD1 4.06Å; F614-L622 HydrophobicContact CE1-CD1 3.48Å; F614-L622 VanDerWaalsContact CE1-CD1 3.48Å; F614-L622 HydrophobicContact CE2-CD1 4.11Å; F614-L622 HydrophobicContact CG-CD1 3.73Å; F614-L622 HydrophobicContact CZ-CD1 3.84Å; F614-V654 HydrophobicContact CE2-CG1 3.93Å; F614-V654 HydrophobicContact CZ-CG1 4.31Å; F614-A655 VanDerWaalsContact CE2-C 3.49Å; F614-A656 HydrophobicContact CD1-CB 3.95Å; F614-A656 HydrophobicContact CD2-CB 4.29Å; F614-A656 HydrophobicContact CE1-CB 3.65Å; F614-A656 HydrophobicContact CE2-CB 4.01Å; F614-A656 VanDerWaalsContact CE2-N 3.3Å; F614-A656 HydrophobicContact CG-CB 4.26Å; F614-A656 HydrophobicContact CZ-CB 3.69Å; F614-R676 HydrophobicContact CE1-CB 4.29Å; F614-R676 HydrophobicContact CZ-CB 4.08Å
615V79.4Confident90Very high118 Ų11831.4 Ų31.472%0.71523%0.23SC*.  trans-135.1156.2-176.7-69.50000111
616G80.9Confident90.2Very high59 Ų5928.1 Ų28.161%0.60821%0.207SC*.THydrogen-bonded Turntrans59.2-138.1176.600000113.1D618 R619 G620G616-D618 PolarHBondContact O-N 2.79Å; G616-R619 WeakPolarHBondContact O-CB 3.4Å; G616-R619 PolarHBondContact O-N 3.3Å; G616-G620 PolarHBondContact O-N 3.05Å
617N83.1Confident90.5Very high35 Ų3530 Ų3019%0.18720%0.199CC..Hα-helixtrans-61-39.5-172.7-164.229.9000113.6Y574 R619 G620 L621Y574-N617 WeakPolarHBondContact CA-ND2 3.3Å; Y574-N617 WeakPolarHBondContact CD2-ND2 3.42Å; N617-R619 PolarHBondContact O-N 3.26Å; N617-G620 PolarHBondContact O-N 3.36Å; N617-G620 VanDerWaalsContact O-N 3.09Å; N617-L621 WeakPolarHBondContact O-CB 3.46Å; N617-L621 PolarHBondContact O-N 3.22Å
618D85Confident90.4Very high49 Ų4931.5 Ų31.526%0.26221%0.212SC..Hα-helixtrans-54.6-38.1174-89.136.5000112.4G616 L622 R676G616-D618 PolarHBondContact O-N 2.79Å; D618-L622 WeakPolarHBondContact O-CB 3.1Å; D618-L622 VanDerWaalsContact O-CG 3.29Å; D618-L622 WeakPolarHBondContact O-CG 3.48Å; D618-L622 PolarHBondContact O-N 3.25Å; D618-R676 IonicContact OD2-CZ 3.56Å; D618-R676 VanDerWaalsContact OD2-CZ 3.24Å; D618-R676 IonicContact OD2-NH1 2.79Å; D618-R676 PolarHBondContact OD2-NH1 3.46Å; D618-R676 IonicContact OD2-NH2 3.83Å; D618-R676 PolarHBondContact OD2-NH2 3.42Å
619R91.1Very high90.3Very high38 Ų3830.8 Ų30.814%0.14321%0.208CC..Hα-helixtrans-69.2-42.3178.5-165.6-179.9-166.975.27.6111.3L611 F614 G616 N617 T623 E635L611-R619 HydrophobicContact CD1-CG 4.12Å; L611-R619 PolarHBondContact O-NH1 3.14Å; L611-R619 PolarHBondContact O-NH2 2.85Å; F614-R619 HydrophobicContact CB-CB 4.28Å; F614-R619 PolarHBondContact O-NH1 3.35Å; G616-R619 WeakPolarHBondContact O-CB 3.4Å; G616-R619 PolarHBondContact O-N 3.3Å; N617-R619 PolarHBondContact O-N 3.26Å; R619-T623 VanDerWaalsContact O-CB 3.3Å; R619-T623 WeakPolarHBondContact O-CB 3.33Å; R619-T623 PolarHBondContact O-N 3.18Å; R619-T623 PolarHBondContact O-OG1 2.95Å; R619-E635 IonicContact CZ-OE1 2.69Å; R619-E635 IonicContact CZ-OE2 2.67Å; R619-E635 IonicContact NE-OE1 3.52Å; R619-E635 PolarHBondContact NE-OE1 3.35Å; R619-E635 IonicContact NE-OE2 2.87Å; R619-E635 PolarHBondContact NE-OE2 3.31Å; R619-E635 VanDerWaalsContact NH2-CD 3.26Å; R619-E635 IonicContact NH2-OE1 3.45Å; R619-E635 PolarHBondContact NH2-OE1 3.15Å; R619-E635 VanDerWaalsContact NH2-OE1 3.13Å; R619-E635 IonicContact NH2-OE2 3.38Å; R619-E635 PolarHBondContact NH2-OE2 3Å
620G89Confident90.2Very high35 Ų3532 Ų3236%0.36122%0.22SC..Hα-helixtrans-62.2-49.6174.900000111.8G616 N617 L622 T623 S624G616-G620 PolarHBondContact O-N 3.05Å; N617-G620 PolarHBondContact O-N 3.36Å; N617-G620 VanDerWaalsContact O-N 3.09Å; G620-L622 PolarHBondContact O-N 3.16Å; G620-T623 WeakPolarHBondContact O-CB 2.99Å; G620-T623 PolarHBondContact O-N 2.91Å; G620-S624 PolarHBondContact O-N 3.37Å; G620-S624 PolarHBondContact O-OG 3Å
621L92.8Very high90.3Very high9 Ų932.2 Ų32.25%0.04722%0.222CC..Hα-helixtrans-55-52.8177.8-178.464.9000112F553 E589 A591 F592 N617 T623 S624 Y625F553-L621 HydrophobicContact CE1-CD1 4.02Å; F553-L621 HydrophobicContact CZ-CD1 4.09Å; E589-L621 HydrophobicContact CG-CD2 3.91Å; A591-L621 HydrophobicContact CB-CD1 3.96Å; A591-L621 HydrophobicContact CB-CD2 4.17Å; A591-L621 HydrophobicContact CB-CG 4.1Å; F592-L621 HydrophobicContact CD1-CD1 4.41Å; F592-L621 HydrophobicContact CD1-CD2 4.42Å; F592-L621 HydrophobicContact CE1-CD1 3.95Å; F592-L621 HydrophobicContact CE1-CD2 3.57Å; F592-L621 HydrophobicContact CE1-CG 4.43Å; F592-L621 HydrophobicContact CZ-CD2 4.02Å; N617-L621 WeakPolarHBondContact O-CB 3.46Å; N617-L621 PolarHBondContact O-N 3.22Å; L621-T623 VanDerWaalsContact C-N 3.31Å; L621-T623 PolarHBondContact O-N 2.91Å; L621-S624 PolarHBondContact O-N 3.31Å; L621-Y625 VanDerWaalsContact O-CB 3.3Å; L621-Y625 WeakPolarHBondContact O-CB 3.42Å; L621-Y625 PolarHBondContact O-N 2.88Å
622L94.1Very high90.3Very high0 Ų035.8 Ų35.80%024%0.244CC..Hα-helixtrans-67-31.7179.9-68.4172.9000112.7L611 F614 D618 G620 A626 R676 L679 Y680L611-L622 HydrophobicContact CD1-CB 4.21Å; L611-L622 HydrophobicContact CD2-CB 4.01Å; L611-L622 HydrophobicContact CD2-CD1 4.22Å; F614-L622 HydrophobicContact CB-CD1 4.49Å; F614-L622 HydrophobicContact CD1-CD1 3.43Å; F614-L622 VanDerWaalsContact CD1-CD1 3.43Å; F614-L622 HydrophobicContact CD2-CD1 4.06Å; F614-L622 HydrophobicContact CE1-CD1 3.48Å; F614-L622 VanDerWaalsContact CE1-CD1 3.48Å; F614-L622 HydrophobicContact CE2-CD1 4.11Å; F614-L622 HydrophobicContact CG-CD1 3.73Å; F614-L622 HydrophobicContact CZ-CD1 3.84Å; D618-L622 WeakPolarHBondContact O-CB 3.1Å; D618-L622 VanDerWaalsContact O-CG 3.29Å; D618-L622 WeakPolarHBondContact O-CG 3.48Å; D618-L622 PolarHBondContact O-N 3.25Å; G620-L622 PolarHBondContact O-N 3.16Å; L622-A626 VanDerWaalsContact O-CB 3.27Å; L622-A626 WeakPolarHBondContact O-CB 3.46Å; L622-A626 PolarHBondContact O-N 3.16Å; L622-R676 HydrophobicContact CD1-CB 4.23Å; L622-R676 HydrophobicContact CD2-CB 4.03Å; L622-L679 HydrophobicContact CD2-CD1 4.12Å; L622-Y680 HydrophobicContact CD2-CE1 4.13Å; L622-Y680 WeakPolarHBondContact CD2-OH 3.48Å
623T94.3Very high90.6Very high29 Ų2936.5 Ų36.518%0.17825%0.248CC..Hα-helixtrans-63.1-53.5173.6-62.20000110.6L611 R619 G620 L621 Y625 A626 Q627 V633L611-T623 WeakPolarHBondContact CD1-OG1 3.33Å; R619-T623 VanDerWaalsContact O-CB 3.3Å; R619-T623 WeakPolarHBondContact O-CB 3.33Å; R619-T623 PolarHBondContact O-N 3.18Å; R619-T623 PolarHBondContact O-OG1 2.95Å; G620-T623 WeakPolarHBondContact O-CB 2.99Å; G620-T623 PolarHBondContact O-N 2.91Å; L621-T623 VanDerWaalsContact C-N 3.31Å; L621-T623 PolarHBondContact O-N 2.91Å; T623-Y625 PolarHBondContact O-N 2.92Å; T623-A626 PolarHBondContact O-N 2.86Å; T623-Q627 WeakPolarHBondContact O-CB 3.38Å; T623-Q627 VanDerWaalsContact O-CG 3.26Å; T623-Q627 WeakPolarHBondContact O-CG 3.32Å; T623-Q627 PolarHBondContact O-N 2.88Å; T623-V633 HydrophobicContact CG2-CB 4.12Å; T623-V633 HydrophobicContact CG2-CG1 3.98Å
624S92.5Very high90.9Very high56 Ų5635 Ų3539%0.39223%0.228SC..Hα-helixtrans-64.2-38.7179.6-56.60000112.6G620 L621 A628G620-S624 PolarHBondContact O-N 3.37Å; G620-S624 PolarHBondContact O-OG 3Å; L621-S624 PolarHBondContact O-N 3.31Å; S624-A628 WeakPolarHBondContact O-CB 3.2Å; S624-A628 PolarHBondContact O-N 2.93Å
625Y95.3Very high90.8Very high1 Ų138.4 Ų38.40%0.00424%0.244CC..Hα-helixtrans-65.9-45.9178.8-162.8-91.6000112F553 F554 A591 L621 T623 A628 L629 L679 Y680 A683F553-Y625 HydrophobicContact CB-CD2 3.99Å; F553-Y625 HydrophobicContact CB-CE2 3.99Å; F553-Y625 AromaticContact CD1-CD2 3.53Å; F553-Y625 HydrophobicContact CD1-CD2 3.53Å; F553-Y625 AromaticContact CD1-CE2 3.93Å; F553-Y625 HydrophobicContact CD1-CE2 3.93Å; F553-Y625 HydrophobicContact CD2-CD2 4.19Å; F553-Y625 AromaticContact CE1-CD2 3.98Å; F553-Y625 HydrophobicContact CE1-CD2 3.98Å; F553-Y625 AromaticContact CG-CD2 3.64Å; F553-Y625 HydrophobicContact CG-CD2 3.64Å; F553-Y625 HydrophobicContact CG-CE2 4.09Å; F553-Y625 HydrophobicContact CZ-CD2 4.49Å; F554-Y625 HydrophobicContact CE1-CE1 4.15Å; F554-Y625 AromaticContact CE1-CE2 3.8Å; F554-Y625 HydrophobicContact CE1-CE2 3.8Å; F554-Y625 AromaticContact CE1-CZ 3.58Å; F554-Y625 HydrophobicContact CZ-CD1 4.12Å; F554-Y625 HydrophobicContact CZ-CD2 4.08Å; F554-Y625 AromaticContact CZ-CE1 3.78Å; F554-Y625 HydrophobicContact CZ-CE1 3.78Å; F554-Y625 AromaticContact CZ-CE2 3.74Å; F554-Y625 HydrophobicContact CZ-CE2 3.74Å; F554-Y625 HydrophobicContact CZ-CG 4.28Å; F554-Y625 AromaticContact CZ-CZ 3.61Å; A591-Y625 HydrophobicContact CB-CD2 3.55Å; A591-Y625 HydrophobicContact CB-CE2 3.7Å; A591-Y625 HydrophobicContact CB-CG 4.3Å; L621-Y625 VanDerWaalsContact O-CB 3.3Å; L621-Y625 WeakPolarHBondContact O-CB 3.42Å; L621-Y625 PolarHBondContact O-N 2.88Å; T623-Y625 PolarHBondContact O-N 2.92Å; Y625-A628 PolarHBondContact O-N 3.33Å; Y625-L629 HydrophobicContact CD1-CD1 3.95Å; Y625-L629 HydrophobicContact CE1-CD1 3.89Å; Y625-L629 WeakPolarHBondContact O-CG 3.25Å; Y625-L629 PolarHBondContact O-N 2.75Å; Y625-L629 VanDerWaalsContact O-N 3.13Å; Y625-L679 HydrophobicContact CD1-CB 4.4Å; Y625-Y680 HydrophobicContact CD1-CD1 4.13Å; Y625-Y680 HydrophobicContact CD1-CE1 4.12Å; Y625-Y680 AromaticContact CE1-CD1 3.56Å; Y625-Y680 HydrophobicContact CE1-CD1 3.56Å; Y625-Y680 AromaticContact CE1-CE1 3.97Å; Y625-Y680 HydrophobicContact CE1-CE1 3.97Å; Y625-Y680 AromaticContact CZ-CD1 3.9Å; Y625-A683 HydrophobicContact CE1-CB 4.05Å; Y625-A683 VanDerWaalsContact OH-CB 3.32Å; Y625-A683 WeakPolarHBondContact OH-CB 3.39Å
626A95.7Very high90.8Very high1 Ų134.8 Ų34.81%0.00822%0.223CC..Hα-helixtrans-69-36.1177.500000112.7I609 L622 T623 L629 G630 A631 V633 L679I609-A626 HydrophobicContact CD1-CB 4.31Å; L622-A626 VanDerWaalsContact O-CB 3.27Å; L622-A626 WeakPolarHBondContact O-CB 3.46Å; L622-A626 PolarHBondContact O-N 3.16Å; T623-A626 PolarHBondContact O-N 2.86Å; A626-L629 PolarHBondContact O-N 2.63Å; A626-G630 PolarHBondContact O-N 2.87Å; A626-A631 HydrophobicContact CB-CB 4.32Å; A626-A631 VanDerWaalsContact O-CB 3.31Å; A626-A631 WeakPolarHBondContact O-CB 3.36Å; A626-A631 PolarHBondContact O-N 2.77Å; A626-V633 HydrophobicContact CB-CG2 3.62Å; A626-L679 HydrophobicContact CB-CD1 4.29Å; A626-L679 HydrophobicContact CB-CD2 4.05Å
627Q95.1Very high91.1Very high104 Ų10432.1 Ų32.149%0.48620%0.195SC..Hα-helixtrans-61.7-42.3171.8-76.2172.5-15.900111.9T623 L629 G630 A631 V633T623-Q627 WeakPolarHBondContact O-CB 3.38Å; T623-Q627 VanDerWaalsContact O-CG 3.26Å; T623-Q627 WeakPolarHBondContact O-CG 3.32Å; T623-Q627 PolarHBondContact O-N 2.88Å; Q627-L629 PolarHBondContact O-N 2.7Å; Q627-G630 WeakPolarHBondContact O-CA 3.39Å; Q627-G630 PolarHBondContact O-N 2.89Å; Q627-A631 WeakPolarHBondContact CA-O 3.45Å; Q627-V633 HydrophobicContact CG-CB 4.39Å; Q627-V633 HydrophobicContact CG-CG2 4.03Å
628A92.1Very high91.2Very high44 Ų4431.2 Ų31.236%0.36419%0.19SC..Hα-helixtrans-66.9-22.4175.200000113.3F553 F554 S624 Y625 G630F553-A628 HydrophobicContact CD2-CB 4.14Å; F554-A628 HydrophobicContact CD2-CB 3.91Å; F554-A628 HydrophobicContact CE2-CB 3.52Å; S624-A628 WeakPolarHBondContact O-CB 3.2Å; S624-A628 PolarHBondContact O-N 2.93Å; Y625-A628 PolarHBondContact O-N 3.33Å; A628-G630 VanDerWaalsContact C-N 3.27Å
629L94.4Very high91Very high0 Ų035.4 Ų35.40%020%0.202CC..THydrogen-bonded Turntrans-821.6169-68.1172.2000113.7F554 P602 P603 L604 Y625 A626 Q627 L679 A683 W686F554-L629 HydrophobicContact CD2-CD2 4.27Å; F554-L629 HydrophobicContact CE1-CD2 3.99Å; F554-L629 HydrophobicContact CE2-CD2 3.54Å; F554-L629 HydrophobicContact CE2-CG 3.64Å; F554-L629 HydrophobicContact CZ-CD1 4.29Å; F554-L629 HydrophobicContact CZ-CD2 3.4Å; F554-L629 HydrophobicContact CZ-CG 3.56Å; P602-L629 CarbonylContact C-O 3.6Å; P602-L629 VanDerWaalsContact CB-C 3.4Å; P602-L629 WeakPolarHBondContact CB-O 3.35Å; P603-L629 HydrophobicContact CG-CB 4.48Å; P603-L629 HydrophobicContact CG-CD2 3.74Å; L604-L629 WeakPolarHBondContact CA-O 3.39Å; L604-L629 HydrophobicContact CB-CB 4.2Å; L604-L629 WeakPolarHBondContact CB-O 3.37Å; L604-L629 HydrophobicContact CD1-CB 3.76Å; L604-L629 HydrophobicContact CD1-CD1 3.78Å; L604-L629 HydrophobicContact CD1-CG 4.43Å; L604-L629 HydrophobicContact CG-CB 3.93Å; L604-L629 HydrophobicContact CG-CD1 4.45Å; L604-L629 PolarHBondContact N-O 2.79Å; Y625-L629 HydrophobicContact CD1-CD1 3.95Å; Y625-L629 HydrophobicContact CE1-CD1 3.89Å; Y625-L629 WeakPolarHBondContact O-CG 3.25Å; Y625-L629 PolarHBondContact O-N 2.75Å; Y625-L629 VanDerWaalsContact O-N 3.13Å; A626-L629 PolarHBondContact O-N 2.63Å; Q627-L629 PolarHBondContact O-N 2.7Å; L629-L679 HydrophobicContact CD1-CB 4.45Å; L629-L679 WeakPolarHBondContact CD1-O 3.13Å; L629-A683 HydrophobicContact CD1-CB 4.4Å; L629-A683 HydrophobicContact CD2-CB 3.87Å; L629-W686 HydrophobicContact CD2-CE3 4.44Å; L629-W686 HydrophobicContact CD2-CH2 4.34Å; L629-W686 HydrophobicContact CD2-CZ3 3.84Å
630G93.5Very high90.6Very high25 Ų2540.7 Ų40.726%0.25823%0.226SC..THydrogen-bonded Turntrans91.64.9178.600000115.6L604 A626 Q627 A628L604-G630 CarbonylContact O-C 3.51Å; A626-G630 PolarHBondContact O-N 2.87Å; Q627-G630 WeakPolarHBondContact O-CA 3.39Å; Q627-G630 PolarHBondContact O-N 2.89Å; A628-G630 VanDerWaalsContact C-N 3.27Å
631A95.6Very high90.3Very high5 Ų543 Ų434%0.04124%0.237CC..  trans-82.4142.5-179.900000112.8L604 C607 I609 A626 Q627 V633L604-A631 HydrophobicContact CB-CB 3.87Å; L604-A631 HydrophobicContact CD1-CB 4.29Å; C607-A631 HydrophobicContact CB-CB 4.34Å; C607-A631 CarbonylContact O-C 3.49Å; C607-A631 VanDerWaalsContact O-CA 3.31Å; C607-A631 WeakPolarHBondContact O-CA 3.5Å; I609-A631 HydrophobicContact CD1-CB 3.53Å; I609-A631 HydrophobicContact CG1-CB 3.96Å; A626-A631 HydrophobicContact CB-CB 4.32Å; A626-A631 VanDerWaalsContact O-CB 3.31Å; A626-A631 WeakPolarHBondContact O-CB 3.36Å; A626-A631 PolarHBondContact O-N 2.77Å; Q627-A631 WeakPolarHBondContact CA-O 3.45Å; A631-V633 PolarHBondContact O-N 3.22Å
632V94.4Very high89.6Confident79 Ų7943.5 Ų43.548%0.47924%0.24SC..EExtended strand (participates in β ladder)trans-83101.8167.8179.80000108.5C607 V608 I609C607-V632 PolarHBondContact O-N 3.17Å; V608-V632 CarbonylContact C-O 3.51Å; V608-V632 VanDerWaalsContact CA-O 3.32Å; V608-V632 WeakPolarHBondContact CA-O 3.5Å; V608-V632 HydrophobicContact CG2-CB 4.36Å; I609-V632 PolarHBondContact N-O 3.24Å
633V94.7Very high88.7Confident23 Ų2347.6 Ų47.614%0.13927%0.274CS..EExtended strand (participates in β ladder)trans-82.6126.9174.1-175.10000109.8I609 L611 T623 A626 Q627 A631I609-V633 CarbonylContact O-C 3.52Å; I609-V633 WeakPolarHBondContact O-CA 3.32Å; L611-V633 HydrophobicContact CD1-CG1 4.06Å; L611-V633 HydrophobicContact CG-CG1 4.49Å; T623-V633 HydrophobicContact CG2-CB 4.12Å; T623-V633 HydrophobicContact CG2-CG1 3.98Å; A626-V633 HydrophobicContact CB-CG2 3.62Å; Q627-V633 HydrophobicContact CG-CB 4.39Å; Q627-V633 HydrophobicContact CG-CG2 4.03Å; A631-V633 PolarHBondContact O-N 3.22Å
634Q91.3Very high87.4Confident16 Ų1650.8 Ų50.88%0.07530%0.298CS..  trans-138.5139.3177.261.5176.848.400112.3V608 I609 S610 C636 A648 S650V608-Q634 VanDerWaalsContact CG1-CD 3.46Å; V608-Q634 HydrophobicContact CG1-CG 3.75Å; I609-Q634 PolarHBondContact O-N 2.72Å; S610-Q634 WeakPolarHBondContact CA-O 3.31Å; S610-Q634 WeakPolarHBondContact CB-O 3.33Å; S610-Q634 PolarHBondContact OG-O 3Å; Q634-C636 PolarHBondContact NE2-O 3.39Å; Q634-A648 PolarHBondContact NE2-O 3.25Å; Q634-A648 PolarHBondContact OE1-O 3.06Å; Q634-S650 PolarHBondContact NE2-OG 3.11Å
635E82Confident86.1Confident80 Ų8056.3 Ų56.337%0.37431%0.31SS..SBendtrans-59.9-49.7178-75.2-59.3146.800112.2R619 F637 K662R619-E635 IonicContact CZ-OE1 2.69Å; R619-E635 IonicContact CZ-OE2 2.67Å; R619-E635 IonicContact NE-OE1 3.52Å; R619-E635 PolarHBondContact NE-OE1 3.35Å; R619-E635 IonicContact NE-OE2 2.87Å; R619-E635 PolarHBondContact NE-OE2 3.31Å; R619-E635 VanDerWaalsContact NH2-CD 3.26Å; R619-E635 IonicContact NH2-OE1 3.45Å; R619-E635 PolarHBondContact NH2-OE1 3.15Å; R619-E635 VanDerWaalsContact NH2-OE1 3.13Å; R619-E635 IonicContact NH2-OE2 3.38Å; R619-E635 PolarHBondContact NH2-OE2 3Å; E635-F637 PolarHBondContact O-N 3.42Å; E635-K662 PolarHBondContact O-NZ 3.39Å
636C79.8Confident85.3Confident42 Ų4263.3 Ų63.328%0.28435%0.348SS..SBendtrans-67.1113.9178.9-55.20000110.5S610 Q634 L638 L647 S650S610-C636 PolarHBondContact OG-O 2.95Å; Q634-C636 PolarHBondContact NE2-O 3.39Å; C636-L638 HydrophobicContact CB-CD1 4.11Å; C636-L638 HydrophobicContact CB-CG 4Å; C636-L647 HydrophobicContact CB-CD1 4.2Å; C636-L647 HydrophobicContact CB-CD2 4.47Å; C636-S650 PolarHBondContact O-OG 3.35Å
637F88.5Confident84.6Confident4 Ų465 Ų652%0.01836%0.357CS..  trans-72.4133.1162.4-165.4-130.6000107.7Y457 E635 S650 L653 K662 A665 A666 W669 L671Y457-F637 VanDerWaalsContact CE2-O 3.26Å; Y457-F637 WeakPolarHBondContact CE2-O 3.11Å; Y457-F637 WeakPolarHBondContact OH-CB 3.23Å; Y457-F637 WeakPolarHBondContact OH-CD1 3.46Å; Y457-F637 PolarHBondContact OH-O 3.25Å; E635-F637 PolarHBondContact O-N 3.42Å; F637-S650 WeakPolarHBondContact CA-OG 3.45Å; F637-S650 WeakPolarHBondContact CD2-OG 3.48Å; F637-L653 HydrophobicContact CD1-CD1 4.49Å; F637-L653 HydrophobicContact CD2-CD1 3.88Å; F637-L653 HydrophobicContact CE2-CB 4.02Å; F637-L653 HydrophobicContact CE2-CD1 3.98Å; F637-L653 HydrophobicContact CG-CD1 4.18Å; F637-L653 HydrophobicContact CZ-CB 4.17Å; F637-L653 HydrophobicContact CZ-CD1 4.35Å; F637-K662 HydrophobicContact CB-CB 4.45Å; F637-K662 HydrophobicContact CB-CD 4.15Å; F637-K662 HydrophobicContact CB-CG 4.12Å; F637-K662 HydrophobicContact CD1-CB 4.2Å; F637-K662 WeakPolarHBondContact CE1-O 3.45Å; F637-K662 HydrophobicContact CG-CB 4.46Å; F637-A665 HydrophobicContact CD1-CB 4.25Å; F637-A665 HydrophobicContact CE1-CB 4.06Å; F637-A666 HydrophobicContact CE1-CB 3.85Å; F637-A666 HydrophobicContact CZ-CB 3.61Å; F637-W669 HydrophobicContact CD1-CE3 4.43Å; F637-W669 AromaticContact CD1-CZ3 3.99Å; F637-W669 HydrophobicContact CD1-CZ3 3.99Å; F637-W669 AromaticContact CE1-CE3 3.92Å; F637-W669 HydrophobicContact CE1-CE3 3.92Å; F637-W669 AromaticContact CE1-CZ3 3.95Å; F637-W669 HydrophobicContact CE1-CZ3 3.95Å; F637-W669 HydrophobicContact CZ-CE3 4.31Å; F637-L671 HydrophobicContact CE2-CD1 3.9Å; F637-L671 HydrophobicContact CZ-CB 4.37Å; F637-L671 HydrophobicContact CZ-CD1 3.64Å
638L83.3Confident84.1Confident16 Ų1661.5 Ų61.58%0.08435%0.345CS..  trans-150137.6-170.3-73.6177000112.6L453 C636 V642 L647 A648 S650 W669L453-L638 HydrophobicContact CD2-CD2 4.47Å; C636-L638 HydrophobicContact CB-CD1 4.11Å; C636-L638 HydrophobicContact CB-CG 4Å; L638-V642 HydrophobicContact CD1-CG2 4.2Å; L638-L647 HydrophobicContact CD1-CB 3.59Å; L638-L647 HydrophobicContact CD1-CD1 4.12Å; L638-L647 HydrophobicContact CD1-CG 4.41Å; L638-A648 WeakPolarHBondContact CD1-O 3.33Å; L638-S650 PolarHBondContact N-OG 2.95Å; L638-S650 WeakPolarHBondContact O-CB 3.27Å; L638-S650 PolarHBondContact O-N 3.1Å; L638-W669 VanDerWaalsContact C-CZ3 3.48Å
639R81.8Confident84Confident137 Ų13761 Ų6152%0.51734%0.341SS..SBendtrans-88.3-15.5176.6-152.4-179.8-179.7-160.2-0.8114.3W669R639-W669 HydrophobicContact CB-CD2 3.94Å; R639-W669 HydrophobicContact CB-CE3 3.69Å; R639-W669 HydrophobicContact CB-CH2 3.76Å; R639-W669 HydrophobicContact CB-CZ2 4.06Å; R639-W669 HydrophobicContact CB-CZ3 3.62Å; R639-W669 HydrophobicContact CG-CD2 3.83Å; R639-W669 HydrophobicContact CG-CE3 3.85Å; R639-W669 HydrophobicContact CG-CG 4.14Å; R639-W669 HydrophobicContact CG-CZ3 4.31Å; R639-W669 VanDerWaalsContact N-CZ3 3.27Å
640K82Confident83.9Confident149 Ų14961.3 Ų61.365%0.64834%0.343SS*.SBendtrans-140.8149178-70.9-172.2175.6-174.30108.8
641S83.1Confident83.9Confident84 Ų8462.3 Ų62.359%0.58734%0.344SS*.  trans-68.4147173.544.10000111.7L647S641-L647 CarbonylContact C-O 3.57Å; S641-L647 WeakPolarHBondContact CA-O 3.49Å
642V77.3Confident83.9Confident18 Ų1862.6 Ų62.611%0.10935%0.345CS..BIsolated β-bridgetrans-121.483.4176.9-174.70000107.2L453 L638 S644 R645 N646 L647L453-V642 HydrophobicContact CD2-CG2 3.32Å; L638-V642 HydrophobicContact CD1-CG2 4.2Å; V642-S644 WeakPolarHBondContact CG1-OG 3.28Å; V642-S644 PolarHBondContact O-N 3.22Å; V642-R645 HydrophobicContact CG1-CB 4.24Å; V642-R645 HydrophobicContact CG1-CG 4.29Å; V642-R645 PolarHBondContact O-N 3.46Å; V642-N646 PolarHBondContact O-N 2.87Å; V642-L647 HydrophobicContact CB-CB 4.34Å; V642-L647 PolarHBondContact N-O 3.43Å; V642-L647 PolarHBondContact O-N 3.45Å
643A75.6Confident84Confident87 Ų8758.8 Ų58.872%0.71932%0.322SS*.G310 helixtrans-56.8-35.9-174.800000112.5R645 N646A643-R645 PolarHBondContact O-N 2.95Å; A643-N646 PolarHBondContact O-N 3.38Å; A643-N646 VanDerWaalsContact O-N 3.13Å
644S67.2Low84Confident96 Ų9657.7 Ų57.767%0.67132%0.315SS*.G310 helixtrans-60.8-14.3175.954.50000114.8V642V642-S644 WeakPolarHBondContact CG1-OG 3.28Å; V642-S644 PolarHBondContact O-N 3.22Å
645R65.5Low84.1Confident171 Ų17157 Ų5765%0.64531%0.312SS*.G310 helixtrans-123.310.2175.8-64.5-168178.4-143.3-0113.8V642 A643 L647V642-R645 HydrophobicContact CG1-CB 4.24Å; V642-R645 HydrophobicContact CG1-CG 4.29Å; V642-R645 PolarHBondContact O-N 3.46Å; A643-R645 PolarHBondContact O-N 2.95Å; R645-L647 HydrophobicContact CB-CD1 4.03Å; R645-L647 HydrophobicContact CB-CG 4.13Å; R645-L647 PolarHBondContact O-N 2.83Å
646N77.8Confident84.4Confident149 Ų14955.1 Ų55.180%0.79731%0.31SS*.THydrogen-bonded Turntrans5328.8-171.5-72.8-42.1000114.4V642 A643V642-N646 PolarHBondContact O-N 2.87Å; A643-N646 PolarHBondContact O-N 3.38Å; A643-N646 VanDerWaalsContact O-N 3.13Å
647L80.6Confident84.7Confident37 Ų3757.8 Ų57.819%0.19432%0.317CS..BIsolated β-bridgetrans-97.2133.1176.7-64.3169.9000110.2C636 L638 S641 V642 R645C636-L647 HydrophobicContact CB-CD1 4.2Å; C636-L647 HydrophobicContact CB-CD2 4.47Å; L638-L647 HydrophobicContact CD1-CB 3.59Å; L638-L647 HydrophobicContact CD1-CD1 4.12Å; L638-L647 HydrophobicContact CD1-CG 4.41Å; S641-L647 CarbonylContact C-O 3.57Å; S641-L647 WeakPolarHBondContact CA-O 3.49Å; V642-L647 HydrophobicContact CB-CB 4.34Å; V642-L647 PolarHBondContact N-O 3.43Å; V642-L647 PolarHBondContact O-N 3.45Å; R645-L647 HydrophobicContact CB-CD1 4.03Å; R645-L647 HydrophobicContact CB-CG 4.13Å; R645-L647 PolarHBondContact O-N 2.83Å
648A85.9Confident84.5Confident29 Ų2959.2 Ų59.224%0.2433%0.326CS..PPolyproline II helixtrans-91.6170.8179.200000111.6V608 Q634 L638V608-A648 HydrophobicContact CB-CB 4.45Å; V608-A648 HydrophobicContact CG1-CB 3.99Å; V608-A648 HydrophobicContact CG2-CB 3.65Å; Q634-A648 PolarHBondContact NE2-O 3.25Å; Q634-A648 PolarHBondContact OE1-O 3.06Å; L638-A648 WeakPolarHBondContact CD1-O 3.33Å
649A88.9Confident84.2Confident35 Ų3562.2 Ų62.229%0.28934%0.343SS..PPolyproline II helixtrans-74.6127.9166.500000108.6V608V608-A649 VanDerWaalsContact CB-O 3.24Å; V608-A649 WeakPolarHBondContact CB-O 3.49Å; V608-A649 WeakPolarHBondContact CG2-O 3.49Å
650S93.3Very high83.7Confident5 Ų558 Ų584%0.03534%0.341CS..PPolyproline II helixtrans-64.4134175.4-58.60000110.3S610 Q634 C636 F637 L638 L671S610-S650 PolarHBondContact OG-OG 3.35Å; Q634-S650 PolarHBondContact NE2-OG 3.11Å; C636-S650 PolarHBondContact O-OG 3.35Å; F637-S650 WeakPolarHBondContact CA-OG 3.45Å; F637-S650 WeakPolarHBondContact CD2-OG 3.48Å; L638-S650 PolarHBondContact N-OG 2.95Å; L638-S650 WeakPolarHBondContact O-CB 3.27Å; L638-S650 PolarHBondContact O-N 3.1Å; S650-L671 VanDerWaalsContact O-CD1 3.26Å; S650-L671 WeakPolarHBondContact O-CD1 3.37Å
651T94.3Very high83.3Confident46 Ų4656 Ų5628%0.28233%0.33SS..  trans-98.7-35.917664.70000111.8V608 P672V608-T651 HydrophobicContact CB-CG2 4.17Å; V608-T651 HydrophobicContact CG2-CG2 4.38Å; V608-T651 PolarHBondContact N-OG1 2.69Å; V608-T651 PolarHBondContact O-N 2.98Å; V608-T651 PolarHBondContact O-OG1 3.06Å; T651-P672 WeakPolarHBondContact O-CD 3.44Å
652H95.6Very high83.5Confident11 Ų1153.1 Ų53.15%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-135.8146.8-174.4-69.272.9000110.6V608 I609 S610 P672 W678 E691V608-H652 PolarHBondContact O-N 3.09Å; V608-H652 VanDerWaalsContact O-N 3.1Å; I609-H652 HydrophobicContact CG1-CB 4.3Å; S610-H652 PolarHBondContact N-O 3.37Å; S610-H652 VanDerWaalsContact N-O 3.16Å; H652-P672 VanDerWaalsContact CD2-CG 3.47Å; H652-P672 WeakPolarHBondContact CD2-CG 3.35Å; H652-W678 AromaticContact CD2-CH2 3.37Å; H652-W678 WeakPolarHBondContact CD2-CH2 2.97Å; H652-W678 AromaticContact CD2-CZ2 3.53Å; H652-W678 AromaticContact CG-CH2 3.89Å; H652-W678 AromaticContact NE2-CH2 3.48Å; H652-W678 WeakPolarHBondContact NE2-CH2 2.86Å; H652-W678 AromaticContact NE2-CZ2 3.35Å; H652-W678 VanDerWaalsContact NE2-CZ2 3.35Å; H652-W678 WeakPolarHBondContact NE2-CZ2 3.3Å; H652-E691 IonicContact NE2-OE1 3.89Å; H652-E691 PolarHBondContact NE2-OE1 2.93Å
653L94.9Very high83.9Confident0 Ų054.9 Ų54.90%031%0.311CS..EExtended strand (participates in β ladder)trans-109.1114.7165.4-170.679.3000109.6F637 A655 K662 W663 A666 P672 A673 V674F637-L653 HydrophobicContact CD1-CD1 4.49Å; F637-L653 HydrophobicContact CD2-CD1 3.88Å; F637-L653 HydrophobicContact CE2-CB 4.02Å; F637-L653 HydrophobicContact CE2-CD1 3.98Å; F637-L653 HydrophobicContact CG-CD1 4.18Å; F637-L653 HydrophobicContact CZ-CB 4.17Å; F637-L653 HydrophobicContact CZ-CD1 4.35Å; L653-A655 HydrophobicContact CD2-CB 4.23Å; L653-A655 HydrophobicContact CG-CB 4.45Å; L653-K662 HydrophobicContact CD1-CB 3.65Å; L653-K662 HydrophobicContact CD2-CB 4.11Å; L653-W663 VanDerWaalsContact CD2-CA 3.49Å; L653-W663 HydrophobicContact CD2-CB 4.02Å; L653-A666 HydrophobicContact CB-CB 4.11Å; L653-A666 HydrophobicContact CD2-CB 4.05Å; L653-P672 PolarHBondContact N-O 3.11Å; L653-A673 HydrophobicContact CB-CB 4.4Å; L653-A673 HydrophobicContact CD2-CB 4.46Å; L653-A673 CarbonylContact O-C 3.53Å; L653-A673 WeakPolarHBondContact O-CA 3.5Å; L653-V674 PolarHBondContact O-N 2.97Å
654V95.3Very high84.1Confident0 Ų053.8 Ų53.80%030%0.297CS..EExtended strand (participates in β ladder)trans-91.1115.2169.4176.10000107.2I609 S610 L611 S612 F614 V674 W678 L679I609-V654 HydrophobicContact CG2-CB 4.17Å; I609-V654 HydrophobicContact CG2-CG2 3.66Å; S610-V654 PolarHBondContact O-N 3.15Å; L611-V654 CarbonylContact C-O 3.19Å; L611-V654 WeakPolarHBondContact CA-O 3.49Å; L611-V654 HydrophobicContact CD2-CB 3.92Å; L611-V654 HydrophobicContact CD2-CG1 3.86Å; S612-V654 PolarHBondContact N-O 2.86Å; F614-V654 HydrophobicContact CE2-CG1 3.93Å; F614-V654 HydrophobicContact CZ-CG1 4.31Å; V654-V674 CarbonylContact C-O 3.59Å; V654-V674 WeakPolarHBondContact CA-O 3.2Å; V654-V674 HydrophobicContact CG2-CG2 3.93Å; V654-W678 HydrophobicContact CG2-CE3 4.43Å; V654-L679 HydrophobicContact CG1-CD1 4.19Å; V654-L679 HydrophobicContact CG2-CD1 4.32Å; V654-L679 HydrophobicContact CG2-CD2 4.46Å; V654-L679 HydrophobicContact CG2-CG 4.34Å
655A92.9Very high84.7Confident1 Ų149.8 Ų49.81%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-125.7140.2-172.700000112.9S612 F614 L653 V674 V696S612-A655 WeakPolarHBondContact O-CA 3.33Å; F614-A655 VanDerWaalsContact CE2-C 3.49Å; L653-A655 HydrophobicContact CD2-CB 4.23Å; L653-A655 HydrophobicContact CG-CB 4.45Å; A655-V674 PolarHBondContact N-O 2.93Å; A655-V696 HydrophobicContact CB-CG1 4.09Å; A655-V696 HydrophobicContact CB-CG2 4.01Å
656A89.1Confident85.8Confident41 Ų4141.6 Ų41.634%0.33924%0.239SC..SBendtrans-75.4-30.5178.100000112.9S612 F614S612-A656 PolarHBondContact O-N 3.17Å; F614-A656 HydrophobicContact CD1-CB 3.95Å; F614-A656 HydrophobicContact CD2-CB 4.29Å; F614-A656 HydrophobicContact CE1-CB 3.65Å; F614-A656 HydrophobicContact CE2-CB 4.01Å; F614-A656 VanDerWaalsContact CE2-N 3.3Å; F614-A656 HydrophobicContact CG-CB 4.26Å; F614-A656 HydrophobicContact CZ-CB 3.69Å
657K85.8Confident86.2Confident98 Ų9840.1 Ų40.143%0.42623%0.227SC..SBendtrans-151158.8-175.2-66.5-177.8-177.1174.30109.5D659 V696K657-D659 HydrophobicContact CB-CB 4.46Å; K657-D659 PolarHBondContact O-N 3.26Å; K657-V696 WeakPolarHBondContact O-CG1 3.35Å
658P84.8Confident86.2Confident33 Ų3345.6 Ų45.621%0.21425%0.252CS..SBendtrans-7854.6173.933.1-34.3000110.9W663 V696 Y697 D698P658-W663 HydrophobicContact CB-CD2 3.97Å; P658-W663 VanDerWaalsContact CB-CE2 3.45Å; P658-W663 HydrophobicContact CB-CE3 4.39Å; P658-W663 HydrophobicContact CB-CH2 3.91Å; P658-W663 HydrophobicContact CB-CZ2 3.42Å; P658-W663 VanDerWaalsContact CB-CZ2 3.42Å; P658-W663 HydrophobicContact CB-CZ3 4.37Å; P658-V696 HydrophobicContact CB-CG1 4.49Å; P658-Y697 WeakPolarHBondContact CD-O 3.43Å; P658-D698 HydrophobicContact CG-CB 3.82Å
659D77.6Confident86.2Confident80 Ų8045.4 Ų45.443%0.42825%0.245SC..  trans-136.7-175.9-177.282.4-8000113K657 W663K657-D659 HydrophobicContact CB-CB 4.46Å; K657-D659 PolarHBondContact O-N 3.26Å; D659-W663 WeakPolarHBondContact O-CB 3.35Å
660G70.6Confident86.1Confident47 Ų4746.9 Ų46.949%0.48526%0.263SS..THydrogen-bonded Turntrans70.5-176.9-173.400000113.4P664G660-P664 WeakPolarHBondContact O-CD 3.46Å
661R73.2Confident86Confident108 Ų10848.6 Ų48.641%0.40827%0.272SS..THydrogen-bonded Turntrans-85.1-23.4-176.6-66.2179.3178.6156.7-1.4113.9L462 A463L462-R661 VanDerWaalsContact C-NH2 3.29Å; L462-R661 PolarHBondContact O-NH2 3.32Å; A463-R661 VanDerWaalsContact CB-NH2 3.31Å; A463-R661 PolarHBondContact O-NH1 3.03Å
662K87Confident85.9Confident23 Ų2348.1 Ų48.110%0.127%0.27CS..Hα-helixtrans-75.5-33.8-175.3-59.7179.2178.1179.70111.5E466 E635 F637 L653 A666E466-K662 WeakPolarHBondContact OE1-CE 3.39Å; E466-K662 IonicContact OE1-NZ 3.88Å; E466-K662 PolarHBondContact OE1-NZ 3.13Å; E466-K662 WeakPolarHBondContact OE2-CE 3.27Å; E466-K662 IonicContact OE2-NZ 2.96Å; E466-K662 PolarHBondContact OE2-NZ 3.24Å; E635-K662 PolarHBondContact O-NZ 3.39Å; F637-K662 HydrophobicContact CB-CB 4.45Å; F637-K662 HydrophobicContact CB-CD 4.15Å; F637-K662 HydrophobicContact CB-CG 4.12Å; F637-K662 HydrophobicContact CD1-CB 4.2Å; F637-K662 WeakPolarHBondContact CE1-O 3.45Å; F637-K662 HydrophobicContact CG-CB 4.46Å; L653-K662 HydrophobicContact CD1-CB 3.65Å; L653-K662 HydrophobicContact CD2-CB 4.11Å; K662-A666 PolarHBondContact O-N 2.89Å
663W85.6Confident85.7Confident55 Ų5548.7 Ų48.721%0.20828%0.276CS..Hα-helixtrans-68.2-48.2-179.1-175.994000114.5L653 P658 D659 A665 A666 Q667L653-W663 VanDerWaalsContact CD2-CA 3.49Å; L653-W663 HydrophobicContact CD2-CB 4.02Å; P658-W663 HydrophobicContact CB-CD2 3.97Å; P658-W663 VanDerWaalsContact CB-CE2 3.45Å; P658-W663 HydrophobicContact CB-CE3 4.39Å; P658-W663 HydrophobicContact CB-CH2 3.91Å; P658-W663 HydrophobicContact CB-CZ2 3.42Å; P658-W663 VanDerWaalsContact CB-CZ2 3.42Å; P658-W663 HydrophobicContact CB-CZ3 4.37Å; D659-W663 WeakPolarHBondContact O-CB 3.35Å; W663-A665 VanDerWaalsContact C-N 3.29Å; W663-A665 PolarHBondContact O-N 2.75Å; W663-A666 WeakPolarHBondContact O-CB 3.26Å; W663-A666 PolarHBondContact O-N 3.31Å; W663-Q667 PolarHBondContact O-N 3.15Å
664P80.1Confident85.7Confident65 Ų6548.7 Ų48.742%0.42228%0.276SS..Hα-helixtrans-62.1-36.2174.4-22.733.7000112.9G660 Q667 Q668G660-P664 WeakPolarHBondContact O-CD 3.46Å; P664-Q667 PolarHBondContact O-N 3.31Å; P664-Q668 WeakPolarHBondContact O-CB 3.39Å; P664-Q668 PolarHBondContact O-N 3.24Å
665A80.8Confident85.7Confident11 Ų1149.6 Ų49.69%0.09128%0.282CS..Hα-helixtrans-64.2-39.1175.600000111.9Y457 F637 W663 Q668 W669Y457-A665 HydrophobicContact CE1-CB 4.32Å; F637-A665 HydrophobicContact CD1-CB 4.25Å; F637-A665 HydrophobicContact CE1-CB 4.06Å; W663-A665 VanDerWaalsContact C-N 3.29Å; W663-A665 PolarHBondContact O-N 2.75Å; A665-Q668 PolarHBondContact O-N 3.22Å; A665-W669 WeakPolarHBondContact O-CB 3.38Å; A665-W669 PolarHBondContact O-N 3.34Å
666A87.8Confident85.8Confident0 Ų052.5 Ų52.50%029%0.293CS..Hα-helixtrans-61-47.8176.900000111.1F637 L653 K662 W663 Q668 W669 G670 L671 A673F637-A666 HydrophobicContact CE1-CB 3.85Å; F637-A666 HydrophobicContact CZ-CB 3.61Å; L653-A666 HydrophobicContact CB-CB 4.11Å; L653-A666 HydrophobicContact CD2-CB 4.05Å; K662-A666 PolarHBondContact O-N 2.89Å; W663-A666 WeakPolarHBondContact O-CB 3.26Å; W663-A666 PolarHBondContact O-N 3.31Å; A666-Q668 PolarHBondContact O-N 3.37Å; A666-W669 PolarHBondContact O-N 3.22Å; A666-G670 PolarHBondContact O-N 3.05Å; A666-L671 HydrophobicContact CB-CB 4.48Å; A666-L671 PolarHBondContact O-N 3.18Å; A666-A673 HydrophobicContact CB-CB 4.22Å
667Q85.6Confident86Confident117 Ų11755.2 Ų55.255%0.54730%0.301SS..Hα-helixtrans-58.8-47.6174.4-66-169.4-34.100112.2W663 P664 W669 G670W663-Q667 PolarHBondContact O-N 3.15Å; P664-Q667 PolarHBondContact O-N 3.31Å; Q667-W669 PolarHBondContact O-N 3.13Å; Q667-G670 PolarHBondContact O-N 3.37Å
668Q81.1Confident86.4Confident152 Ų15250.6 Ų50.671%0.7128%0.281SS*.Hα-helixtrans-62.7-29.7179.5-167.5-172.321.200112.8P664 A665 A666P664-Q668 WeakPolarHBondContact O-CB 3.39Å; P664-Q668 PolarHBondContact O-N 3.24Å; A665-Q668 PolarHBondContact O-N 3.22Å; A666-Q668 PolarHBondContact O-N 3.37Å
669W85.6Confident86.9Confident26 Ų2649 Ų4910%0.09827%0.271CS..Hα-helixtrans-92-9.8-177.7-63.7-2.8000113.8Y457 F637 L638 R639 A665 A666 Q667 L671Y457-W669 HydrophobicContact CE1-CH2 4.37Å; Y457-W669 AromaticContact CE2-CH2 3.65Å; Y457-W669 HydrophobicContact CE2-CH2 3.65Å; Y457-W669 HydrophobicContact CE2-CZ2 4.26Å; Y457-W669 AromaticContact CZ-CH2 3.45Å; Y457-W669 VanDerWaalsContact CZ-CH2 3.45Å; Y457-W669 WeakPolarHBondContact OH-CH2 3.43Å; Y457-W669 WeakPolarHBondContact OH-CZ3 3.3Å; F637-W669 HydrophobicContact CD1-CE3 4.43Å; F637-W669 AromaticContact CD1-CZ3 3.99Å; F637-W669 HydrophobicContact CD1-CZ3 3.99Å; F637-W669 AromaticContact CE1-CE3 3.92Å; F637-W669 HydrophobicContact CE1-CE3 3.92Å; F637-W669 AromaticContact CE1-CZ3 3.95Å; F637-W669 HydrophobicContact CE1-CZ3 3.95Å; F637-W669 HydrophobicContact CZ-CE3 4.31Å; L638-W669 VanDerWaalsContact C-CZ3 3.48Å; R639-W669 HydrophobicContact CB-CD2 3.94Å; R639-W669 HydrophobicContact CB-CE3 3.69Å; R639-W669 HydrophobicContact CB-CH2 3.76Å; R639-W669 HydrophobicContact CB-CZ2 4.06Å; R639-W669 HydrophobicContact CB-CZ3 3.62Å; R639-W669 HydrophobicContact CG-CD2 3.83Å; R639-W669 HydrophobicContact CG-CE3 3.85Å; R639-W669 HydrophobicContact CG-CG 4.14Å; R639-W669 HydrophobicContact CG-CZ3 4.31Å; R639-W669 VanDerWaalsContact N-CZ3 3.27Å; A665-W669 WeakPolarHBondContact O-CB 3.38Å; A665-W669 PolarHBondContact O-N 3.34Å; A666-W669 PolarHBondContact O-N 3.22Å; Q667-W669 PolarHBondContact O-N 3.13Å; W669-L671 HydrophobicContact CB-CG 4.2Å; W669-L671 HydrophobicContact CE3-CD1 4Å
670G88.1Confident87.7Confident65 Ų6546 Ų4667%0.6725%0.254SS*.THydrogen-bonded Turntrans74.824.6-17400000113.6A666 Q667A666-G670 PolarHBondContact O-N 3.05Å; Q667-G670 PolarHBondContact O-N 3.37Å
671L90.6Very high88.8Confident41 Ų4146.8 Ų46.822%0.21524%0.244CC..  trans-92.5137.9175.9-63-178.3000110.6F637 S650 A666 W669 A673F637-L671 HydrophobicContact CE2-CD1 3.9Å; F637-L671 HydrophobicContact CZ-CB 4.37Å; F637-L671 HydrophobicContact CZ-CD1 3.64Å; S650-L671 VanDerWaalsContact O-CD1 3.26Å; S650-L671 WeakPolarHBondContact O-CD1 3.37Å; A666-L671 HydrophobicContact CB-CB 4.48Å; A666-L671 PolarHBondContact O-N 3.18Å; W669-L671 HydrophobicContact CB-CG 4.2Å; W669-L671 HydrophobicContact CE3-CD1 4Å; L671-A673 PolarHBondContact O-N 3.44Å
672P91.3Very high89.8Confident37 Ų3741.7 Ų41.724%0.2423%0.225CC..  trans-60.2130.617723-33.4000112.2T651 H652 L653 V674 E691T651-P672 WeakPolarHBondContact O-CD 3.44Å; H652-P672 VanDerWaalsContact CD2-CG 3.47Å; H652-P672 WeakPolarHBondContact CD2-CG 3.35Å; L653-P672 PolarHBondContact N-O 3.11Å; P672-V674 HydrophobicContact CB-CG1 4.49Å; P672-E691 HydrophobicContact CB-CB 3.64Å; P672-E691 HydrophobicContact CB-CG 3.72Å; P672-E691 HydrophobicContact CG-CB 4.47Å; P672-E691 HydrophobicContact CG-CG 4.01Å
673A92.9Very high90.1Very high22 Ų2240.6 Ų40.618%0.18222%0.22CC..EExtended strand (participates in β ladder)trans-113.5112.9172.200000109.1L653 A666 L671 V696L653-A673 HydrophobicContact CB-CB 4.4Å; L653-A673 HydrophobicContact CD2-CB 4.46Å; L653-A673 CarbonylContact O-C 3.53Å; L653-A673 WeakPolarHBondContact O-CA 3.5Å; A666-A673 HydrophobicContact CB-CB 4.22Å; L671-A673 PolarHBondContact O-N 3.44Å; A673-V696 HydrophobicContact CB-CG2 4.45Å
674V94.9Very high90.3Very high1 Ų143.6 Ų43.61%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-127.3156.3-168.6-61.80000112.3L653 V654 A655 P672 W678 E691 F694 V696L653-V674 PolarHBondContact O-N 2.97Å; V654-V674 CarbonylContact C-O 3.59Å; V654-V674 WeakPolarHBondContact CA-O 3.2Å; V654-V674 HydrophobicContact CG2-CG2 3.93Å; A655-V674 PolarHBondContact N-O 2.93Å; P672-V674 HydrophobicContact CB-CG1 4.49Å; V674-W678 HydrophobicContact CB-CB 3.94Å; V674-W678 HydrophobicContact CB-CG 4.12Å; V674-W678 HydrophobicContact CG1-CG 4.3Å; V674-W678 HydrophobicContact CG2-CB 3.9Å; V674-W678 HydrophobicContact CG2-CD2 3.87Å; V674-W678 HydrophobicContact CG2-CE3 3.83Å; V674-W678 HydrophobicContact CG2-CG 3.93Å; V674-E691 HydrophobicContact CG1-CB 3.77Å; V674-E691 HydrophobicContact CG1-CG 4.46Å; V674-F694 CarbonylContact C-O 3.57Å; V674-F694 WeakPolarHBondContact CA-O 3.46Å; V674-V696 VanDerWaalsContact C-CG2 3.42Å
675S94.2Very high90.8Very high19 Ų1942.4 Ų42.413%0.13323%0.228CC..  trans-79.5168.4174.9690000112.5L677 W678 F694S675-L677 PolarHBondContact O-N 3.23Å; S675-L677 VanDerWaalsContact O-N 3.08Å; S675-W678 WeakPolarHBondContact O-CB 3.44Å; S675-W678 PolarHBondContact O-N 3.29Å; S675-F694 PolarHBondContact N-O 2.73Å; S675-F694 PolarHBondContact OG-O 3.48Å
676R94.1Very high91.4Very high62 Ų6243.5 Ų43.523%0.23423%0.23CC..THydrogen-bonded Turntrans-57.1-26.6178.184.5170.780.8-165.2-4.9113.4E589 F614 D618 L622 W678 L679 Y680E589-R676 IonicContact OE2-CZ 2.71Å; E589-R676 IonicContact OE2-NH1 2.85Å; E589-R676 PolarHBondContact OE2-NH1 3.24Å; F614-R676 HydrophobicContact CE1-CB 4.29Å; F614-R676 HydrophobicContact CZ-CB 4.08Å; D618-R676 IonicContact OD2-CZ 3.56Å; D618-R676 VanDerWaalsContact OD2-CZ 3.24Å; D618-R676 IonicContact OD2-NH1 2.79Å; D618-R676 PolarHBondContact OD2-NH1 3.46Å; D618-R676 IonicContact OD2-NH2 3.83Å; D618-R676 PolarHBondContact OD2-NH2 3.42Å; L622-R676 HydrophobicContact CD1-CB 4.23Å; L622-R676 HydrophobicContact CD2-CB 4.03Å; R676-W678 PolarHBondContact O-N 3.21Å; R676-L679 WeakPolarHBondContact O-CB 2.96Å; R676-L679 PolarHBondContact O-N 3.08Å; R676-Y680 WeakPolarHBondContact CD-OH 3.17Å; R676-Y680 HydrophobicContact CG-CE2 3.86Å
677L93.7Very high91.6Very high98 Ų9846 Ų4651%0.51325%0.247SC..Hα-helixtrans-61.6-28-179-60.3175.8000113.1S675 L679 Y680 K681 F694S675-L677 PolarHBondContact O-N 3.23Å; S675-L677 VanDerWaalsContact O-N 3.08Å; L677-L679 VanDerWaalsContact C-N 3.34Å; L677-L679 PolarHBondContact O-N 2.87Å; L677-Y680 HydrophobicContact CD2-CD2 4.28Å; L677-Y680 PolarHBondContact O-N 3.4Å; L677-K681 PolarHBondContact O-N 3.13Å; L677-F694 HydrophobicContact CB-CD1 3.9Å; L677-F694 HydrophobicContact CB-CE1 4.38Å
678W95.6Very high91.8Very high0 Ų044.7 Ų44.70%024%0.243CC..Hα-helixtrans-60.8-42.1176.4179.376.5000112.2L604 I609 H652 V654 V674 S675 R676 Y680 K681 C682 L688 V689 E691 F694L604-W678 HydrophobicContact CD1-CH2 4.5Å; L604-W678 HydrophobicContact CD1-CZ3 4.18Å; L604-W678 HydrophobicContact CD2-CH2 3.65Å; L604-W678 HydrophobicContact CD2-CZ2 4.18Å; L604-W678 HydrophobicContact CD2-CZ3 4.12Å; I609-W678 HydrophobicContact CD1-CZ3 4Å; H652-W678 AromaticContact CD2-CH2 3.37Å; H652-W678 WeakPolarHBondContact CD2-CH2 2.97Å; H652-W678 AromaticContact CD2-CZ2 3.53Å; H652-W678 AromaticContact CG-CH2 3.89Å; H652-W678 AromaticContact NE2-CH2 3.48Å; H652-W678 WeakPolarHBondContact NE2-CH2 2.86Å; H652-W678 AromaticContact NE2-CZ2 3.35Å; H652-W678 VanDerWaalsContact NE2-CZ2 3.35Å; H652-W678 WeakPolarHBondContact NE2-CZ2 3.3Å; V654-W678 HydrophobicContact CG2-CE3 4.43Å; V674-W678 HydrophobicContact CB-CB 3.94Å; V674-W678 HydrophobicContact CB-CG 4.12Å; V674-W678 HydrophobicContact CG1-CG 4.3Å; V674-W678 HydrophobicContact CG2-CB 3.9Å; V674-W678 HydrophobicContact CG2-CD2 3.87Å; V674-W678 HydrophobicContact CG2-CE3 3.83Å; V674-W678 HydrophobicContact CG2-CG 3.93Å; S675-W678 WeakPolarHBondContact O-CB 3.44Å; S675-W678 PolarHBondContact O-N 3.29Å; R676-W678 PolarHBondContact O-N 3.21Å; W678-Y680 VanDerWaalsContact C-N 3.29Å; W678-Y680 PolarHBondContact O-N 3.18Å; W678-K681 PolarHBondContact O-N 2.98Å; W678-C682 WeakPolarHBondContact O-CB 3.19Å; W678-C682 PolarHBondContact O-N 2.98Å; W678-C682 PolarHBondContact O-SG 3.02Å; W678-L688 HydrophobicContact CH2-CD1 4.03Å; W678-L688 HydrophobicContact CZ2-CD1 3.6Å; W678-V689 PolarHBondContact NE1-O 3.41Å; W678-E691 HydrophobicContact CZ2-CG 4.28Å; W678-F694 HydrophobicContact CB-CB 3.74Å; W678-F694 HydrophobicContact CB-CD2 4.32Å; W678-F694 HydrophobicContact CB-CG 3.93Å; W678-F694 AromaticContact CD1-CD2 3.75Å; W678-F694 HydrophobicContact CG-CB 4.41Å; W678-F694 HydrophobicContact CG-CD2 4.45Å
679L95.3Very high92.4Very high1 Ų138.5 Ų38.51%0.00522%0.216CC..Hα-helixtrans-61.7-40.2175.9-65.4172.4000111.2L604 I609 L622 Y625 A626 L629 V654 R676 L677 C682 A683L604-L679 HydrophobicContact CD1-CD2 3.57Å; I609-L679 HydrophobicContact CD1-CD2 3.91Å; L622-L679 HydrophobicContact CD2-CD1 4.12Å; Y625-L679 HydrophobicContact CD1-CB 4.4Å; A626-L679 HydrophobicContact CB-CD1 4.29Å; A626-L679 HydrophobicContact CB-CD2 4.05Å; L629-L679 HydrophobicContact CD1-CB 4.45Å; L629-L679 WeakPolarHBondContact CD1-O 3.13Å; V654-L679 HydrophobicContact CG1-CD1 4.19Å; V654-L679 HydrophobicContact CG2-CD1 4.32Å; V654-L679 HydrophobicContact CG2-CD2 4.46Å; V654-L679 HydrophobicContact CG2-CG 4.34Å; R676-L679 WeakPolarHBondContact O-CB 2.96Å; R676-L679 PolarHBondContact O-N 3.08Å; L677-L679 VanDerWaalsContact C-N 3.34Å; L677-L679 PolarHBondContact O-N 2.87Å; L679-C682 PolarHBondContact O-N 3.47Å; L679-A683 PolarHBondContact O-N 2.84Å
680Y94.5Very high92.6Very high15 Ų1540.9 Ų40.96%0.05923%0.231CC..Hα-helixtrans-71.8-37.2-178.7-54.8-19.1000111.5E589 C590 A591 L622 Y625 R676 L677 W678 A683 E684E589-Y680 WeakPolarHBondContact OE1-CE2 3.28Å; E589-Y680 PolarHBondContact OE1-OH 3.34Å; E589-Y680 PolarHBondContact OE2-OH 3.17Å; E589-Y680 VanDerWaalsContact OE2-OH 3.08Å; C590-Y680 HydrophobicContact CB-CD1 4.38Å; C590-Y680 HydrophobicContact CB-CD2 3.56Å; C590-Y680 HydrophobicContact CB-CE2 3.94Å; C590-Y680 HydrophobicContact CB-CG 3.81Å; A591-Y680 HydrophobicContact CB-CE1 4.27Å; L622-Y680 HydrophobicContact CD2-CE1 4.13Å; L622-Y680 WeakPolarHBondContact CD2-OH 3.48Å; Y625-Y680 HydrophobicContact CD1-CD1 4.13Å; Y625-Y680 HydrophobicContact CD1-CE1 4.12Å; Y625-Y680 AromaticContact CE1-CD1 3.56Å; Y625-Y680 HydrophobicContact CE1-CD1 3.56Å; Y625-Y680 AromaticContact CE1-CE1 3.97Å; Y625-Y680 HydrophobicContact CE1-CE1 3.97Å; Y625-Y680 AromaticContact CZ-CD1 3.9Å; R676-Y680 WeakPolarHBondContact CD-OH 3.17Å; R676-Y680 HydrophobicContact CG-CE2 3.86Å; L677-Y680 HydrophobicContact CD2-CD2 4.28Å; L677-Y680 PolarHBondContact O-N 3.4Å; W678-Y680 VanDerWaalsContact C-N 3.29Å; W678-Y680 PolarHBondContact O-N 3.18Å; Y680-A683 WeakPolarHBondContact O-CB 3.49Å; Y680-A683 PolarHBondContact O-N 2.96Å; Y680-E684 WeakPolarHBondContact O-CB 3.35Å; Y680-E684 PolarHBondContact O-N 2.88Å
681K93.1Very high92.8Very high65 Ų6540.6 Ų40.628%0.28321%0.212SC..Hα-helixtrans-68.9-39173.4-159.581.2-157169.80112L677 W678 A683 E684 T685 V689 F694L677-K681 PolarHBondContact O-N 3.13Å; W678-K681 PolarHBondContact O-N 2.98Å; K681-A683 VanDerWaalsContact C-N 3.26Å; K681-A683 PolarHBondContact O-N 2.69Å; K681-E684 WeakPolarHBondContact CD-OE2 3.13Å; K681-E684 WeakPolarHBondContact CE-OE2 3.08Å; K681-E684 IonicContact NZ-OE1 2.75Å; K681-E684 PolarHBondContact NZ-OE1 2.93Å; K681-E684 IonicContact NZ-OE2 2.91Å; K681-E684 PolarHBondContact NZ-OE2 3.19Å; K681-E684 PolarHBondContact O-N 3.35Å; K681-T685 HydrophobicContact CG-CG2 4.41Å; K681-T685 PolarHBondContact O-N 2.88Å; K681-T685 PolarHBondContact O-OG1 2.66Å; K681-T685 VanDerWaalsContact O-OG1 3.13Å; K681-V689 HydrophobicContact CB-CG2 3.91Å; K681-V689 HydrophobicContact CG-CG1 4.39Å; K681-V689 HydrophobicContact CG-CG2 4.03Å; K681-F694 HydrophobicContact CB-CE1 3.96Å; K681-F694 HydrophobicContact CB-CE2 4.19Å; K681-F694 HydrophobicContact CB-CZ 3.57Å; K681-F694 HydrophobicContact CD-CZ 4.1Å; K681-F694 HydrophobicContact CG-CE1 4.35Å; K681-F694 HydrophobicContact CG-CE2 4.25Å; K681-F694 HydrophobicContact CG-CZ 3.59Å
682C94Very high92.7Very high0 Ų043.8 Ų43.80%024%0.237CC..Hα-helixtrans-59.2-37.5172.6-68.90000112.4L604 W678 L679 W686 S687 V689L604-C682 HydrophobicContact CD2-CB 4.14Å; W678-C682 WeakPolarHBondContact O-CB 3.19Å; W678-C682 PolarHBondContact O-N 2.98Å; W678-C682 PolarHBondContact O-SG 3.02Å; L679-C682 PolarHBondContact O-N 3.47Å; C682-W686 VanDerWaalsContact O-CA 3.28Å; C682-W686 WeakPolarHBondContact O-CA 3.28Å; C682-W686 PolarHBondContact O-N 2.82Å; C682-W686 VanDerWaalsContact O-N 3.15Å; C682-S687 WeakPolarHBondContact CA-O 3.42Å; C682-S687 PolarHBondContact O-N 2.83Å; C682-V689 WeakPolarHBondContact SG-CG2 3.33Å
683A92.9Very high92.5Very high1 Ų147.8 Ų47.81%0.00825%0.252CS..Hα-helixtrans-68-48.5172.800000112.3F554 Y625 L629 L679 Y680 K681 T685 W686F554-A683 HydrophobicContact CD1-CB 4.45Å; F554-A683 HydrophobicContact CE1-CB 3.65Å; F554-A683 HydrophobicContact CZ-CB 4.2Å; Y625-A683 HydrophobicContact CE1-CB 4.05Å; Y625-A683 VanDerWaalsContact OH-CB 3.32Å; Y625-A683 WeakPolarHBondContact OH-CB 3.39Å; L629-A683 HydrophobicContact CD1-CB 4.4Å; L629-A683 HydrophobicContact CD2-CB 3.87Å; L679-A683 PolarHBondContact O-N 2.84Å; Y680-A683 WeakPolarHBondContact O-CB 3.49Å; Y680-A683 PolarHBondContact O-N 2.96Å; K681-A683 VanDerWaalsContact C-N 3.26Å; K681-A683 PolarHBondContact O-N 2.69Å; A683-T685 PolarHBondContact O-N 3.49Å; A683-W686 PolarHBondContact O-N 3.03Å
684E90.2Very high92.4Very high117 Ų11748.3 Ų48.355%0.54725%0.25SS..Hα-helixtrans-61.3-41.9-177-168.8-158.9132.400113Y680 K681Y680-E684 WeakPolarHBondContact O-CB 3.35Å; Y680-E684 PolarHBondContact O-N 2.88Å; K681-E684 WeakPolarHBondContact CD-OE2 3.13Å; K681-E684 WeakPolarHBondContact CE-OE2 3.08Å; K681-E684 IonicContact NZ-OE1 2.75Å; K681-E684 PolarHBondContact NZ-OE1 2.93Å; K681-E684 IonicContact NZ-OE2 2.91Å; K681-E684 PolarHBondContact NZ-OE2 3.19Å; K681-E684 PolarHBondContact O-N 3.35Å
685T90.4Very high92.1Very high40 Ų4050.5 Ų50.525%0.24526%0.264CS..Hα-helixtrans-82-21.7177.762.40000112.9K598 K681 A683 S687 V689K598-T685 PolarHBondContact NZ-O 3.06Å; K681-T685 HydrophobicContact CG-CG2 4.41Å; K681-T685 PolarHBondContact O-N 2.88Å; K681-T685 PolarHBondContact O-OG1 2.66Å; K681-T685 VanDerWaalsContact O-OG1 3.13Å; A683-T685 PolarHBondContact O-N 3.49Å; T685-S687 WeakPolarHBondContact CB-OG 3.44Å; T685-S687 PolarHBondContact OG1-N 2.77Å; T685-S687 PolarHBondContact OG1-O 3.13Å; T685-S687 PolarHBondContact OG1-OG 3.37Å; T685-V689 HydrophobicContact CG2-CG1 4.07Å
686W92.8Very high91.6Very high34 Ų3450.3 Ų50.313%0.12926%0.263CS..THydrogen-bonded Turntrans55.144.9-162.6-151.8-104000113F554 H597 P601 P603 L629 C682 A683F554-W686 HydrophobicContact CB-CH2 3.84Å; F554-W686 HydrophobicContact CB-CZ3 3.92Å; F554-W686 HydrophobicContact CD1-CH2 4.39Å; F554-W686 AromaticContact CD1-CZ3 3.76Å; F554-W686 HydrophobicContact CD1-CZ3 3.76Å; F554-W686 AromaticContact CD2-CH2 3.82Å; F554-W686 HydrophobicContact CD2-CH2 3.82Å; F554-W686 AromaticContact CD2-CZ3 3.95Å; F554-W686 HydrophobicContact CD2-CZ3 3.95Å; F554-W686 HydrophobicContact CE1-CZ3 4.37Å; F554-W686 AromaticContact CG-CH2 3.72Å; F554-W686 HydrophobicContact CG-CH2 3.72Å; F554-W686 AromaticContact CG-CZ3 3.56Å; F554-W686 HydrophobicContact CG-CZ3 3.56Å; H597-W686 HydrophobicContact CB-CD2 3.62Å; H597-W686 HydrophobicContact CB-CE3 3.54Å; H597-W686 HydrophobicContact CB-CG 4.32Å; H597-W686 HydrophobicContact CB-CH2 3.78Å; H597-W686 HydrophobicContact CB-CZ2 3.86Å; H597-W686 HydrophobicContact CB-CZ3 3.62Å; H597-W686 AromaticContact CG-CZ2 3.9Å; H597-W686 AromaticContact ND1-CE2 3.88Å; H597-W686 AromaticContact ND1-CZ2 3.83Å; P601-W686 PolarHBondContact O-NE1 3.45Å; P603-W686 HydrophobicContact CG-CD2 4.33Å; P603-W686 HydrophobicContact CG-CE3 4.37Å; L629-W686 HydrophobicContact CD2-CE3 4.44Å; L629-W686 HydrophobicContact CD2-CH2 4.34Å; L629-W686 HydrophobicContact CD2-CZ3 3.84Å; C682-W686 VanDerWaalsContact O-CA 3.28Å; C682-W686 WeakPolarHBondContact O-CA 3.28Å; C682-W686 PolarHBondContact O-N 2.82Å; C682-W686 VanDerWaalsContact O-N 3.15Å; A683-W686 PolarHBondContact O-N 3.03Å
687S91.8Very high90.6Very high52 Ų5255.3 Ų55.336%0.36428%0.283SS..SBendtrans-152.1153.2179.668.30000111.6C682 T685 V689C682-S687 WeakPolarHBondContact CA-O 3.42Å; C682-S687 PolarHBondContact O-N 2.83Å; T685-S687 WeakPolarHBondContact CB-OG 3.44Å; T685-S687 PolarHBondContact OG1-N 2.77Å; T685-S687 PolarHBondContact OG1-O 3.13Å; T685-S687 PolarHBondContact OG1-OG 3.37Å; S687-V689 PolarHBondContact O-N 3.21Å; S687-V689 VanDerWaalsContact O-N 3.14Å
688L91.6Very high88.8Confident90 Ų9054 Ų5447%0.47128%0.276SS..  trans-62.9113.5167-170.572.9000109.1L604 W678L604-L688 HydrophobicContact CD2-CD1 3.51Å; W678-L688 HydrophobicContact CH2-CD1 4.03Å; W678-L688 HydrophobicContact CZ2-CD1 3.6Å
689V92.2Very high86.7Confident23 Ų2358.9 Ų58.914%0.13931%0.306CS..  trans-98.5155.3176-76.10000111.8W678 K681 C682 T685 S687 E691 F694W678-V689 PolarHBondContact NE1-O 3.41Å; K681-V689 HydrophobicContact CB-CG2 3.91Å; K681-V689 HydrophobicContact CG-CG1 4.39Å; K681-V689 HydrophobicContact CG-CG2 4.03Å; C682-V689 WeakPolarHBondContact SG-CG2 3.33Å; T685-V689 HydrophobicContact CG2-CG1 4.07Å; S687-V689 PolarHBondContact O-N 3.21Å; S687-V689 VanDerWaalsContact O-N 3.14Å; V689-E691 PolarHBondContact O-N 3.32Å; V689-F694 HydrophobicContact CG2-CE2 4.13Å
690N90.1Very high84.1Confident75 Ų7563.1 Ų63.140%0.40134%0.336SS..  trans-56.3124-175.4-178.1-4.5000112.4C692 E693 F694N690-C692 VanDerWaalsContact C-N 3.27Å; N690-C692 PolarHBondContact O-N 2.83Å; N690-C692 WeakPolarHBondContact OD1-CB 3.43Å; N690-C692 PolarHBondContact OD1-N 2.96Å; N690-E693 HydrophobicContact CB-CG 4.23Å; N690-E693 WeakPolarHBondContact CB-OE1 3.39Å; N690-E693 PolarHBondContact ND2-OE1 2.77Å; N690-E693 PolarHBondContact O-N 3.05Å; N690-F694 WeakPolarHBondContact O-CD2 3.48Å
691E92.9Very high81.5Confident60 Ų6070 Ų7028%0.2837%0.366SS..G310 helixtrans-66.8-30.1-176.2-52.889.8157.200111.9H652 P672 V674 W678 V689 E693 F694H652-E691 IonicContact NE2-OE1 3.89Å; H652-E691 PolarHBondContact NE2-OE1 2.93Å; P672-E691 HydrophobicContact CB-CB 3.64Å; P672-E691 HydrophobicContact CB-CG 3.72Å; P672-E691 HydrophobicContact CG-CB 4.47Å; P672-E691 HydrophobicContact CG-CG 4.01Å; V674-E691 HydrophobicContact CG1-CB 3.77Å; V674-E691 HydrophobicContact CG1-CG 4.46Å; W678-E691 HydrophobicContact CZ2-CG 4.28Å; V689-E691 PolarHBondContact O-N 3.32Å; E691-E693 PolarHBondContact O-N 3.26Å; E691-F694 PolarHBondContact O-N 2.77Å
692C87.7Confident78.4Confident108 Ų10872.3 Ų72.373%0.7338%0.381SS*.G310 helixtrans-69-14.9179.6-64.40000114N690 F694N690-C692 VanDerWaalsContact C-N 3.27Å; N690-C692 PolarHBondContact O-N 2.83Å; N690-C692 WeakPolarHBondContact OD1-CB 3.43Å; N690-C692 PolarHBondContact OD1-N 2.96Å; C692-F694 VanDerWaalsContact C-N 3.34Å
693E87.4Confident75.4Confident121 Ų12177.9 Ų77.957%0.56542%0.42SS*.G310 helixtrans-81.4-14176.4-68.8169.4-150.600112.6N690 E691N690-E693 HydrophobicContact CB-CG 4.23Å; N690-E693 WeakPolarHBondContact CB-OE1 3.39Å; N690-E693 PolarHBondContact ND2-OE1 2.77Å; N690-E693 PolarHBondContact O-N 3.05Å; E691-E693 PolarHBondContact O-N 3.26Å
694F91.6Very high72.3Confident32 Ų3288.6 Ų88.614%0.1446%0.461CS..SBendtrans-126.144.2-172.8-60.6-85.5000114.7V674 S675 L677 W678 K681 V689 N690 E691 C692V674-F694 CarbonylContact C-O 3.57Å; V674-F694 WeakPolarHBondContact CA-O 3.46Å; S675-F694 PolarHBondContact N-O 2.73Å; S675-F694 PolarHBondContact OG-O 3.48Å; L677-F694 HydrophobicContact CB-CD1 3.9Å; L677-F694 HydrophobicContact CB-CE1 4.38Å; W678-F694 HydrophobicContact CB-CB 3.74Å; W678-F694 HydrophobicContact CB-CD2 4.32Å; W678-F694 HydrophobicContact CB-CG 3.93Å; W678-F694 AromaticContact CD1-CD2 3.75Å; W678-F694 HydrophobicContact CG-CB 4.41Å; W678-F694 HydrophobicContact CG-CD2 4.45Å; K681-F694 HydrophobicContact CB-CE1 3.96Å; K681-F694 HydrophobicContact CB-CE2 4.19Å; K681-F694 HydrophobicContact CB-CZ 3.57Å; K681-F694 HydrophobicContact CD-CZ 4.1Å; K681-F694 HydrophobicContact CG-CE1 4.35Å; K681-F694 HydrophobicContact CG-CE2 4.25Å; K681-F694 HydrophobicContact CG-CZ 3.59Å; V689-F694 HydrophobicContact CG2-CE2 4.13Å; N690-F694 WeakPolarHBondContact O-CD2 3.48Å; E691-F694 PolarHBondContact O-N 2.77Å; C692-F694 VanDerWaalsContact C-N 3.34Å
695P87.4Confident69.2Low47 Ų4789.5 Ų89.531%0.30547%0.468SS..BIsolated β-bridgetrans-66.1165.2-174.831.8-37.1000112.9Y697P695-Y697 HydrophobicContact CG-CE1 4.09Å; P695-Y697 HydrophobicContact CG-CE2 4.07Å; P695-Y697 WeakPolarHBondContact CG-OH 3.3Å; P695-Y697 VanDerWaalsContact O-CD2 3.31Å; P695-Y697 WeakPolarHBondContact O-CD2 3.36Å; P695-Y697 WeakPolarHBondContact O-CE2 3.43Å; P695-Y697 PolarHBondContact O-N 2.91Å
696V85Confident66.1Low16 Ų1693 Ų9310%0.09749%0.494CS..  trans-92.6103.9-174-1700000110.5A655 K657 P658 A673 V674A655-V696 HydrophobicContact CB-CG1 4.09Å; A655-V696 HydrophobicContact CB-CG2 4.01Å; K657-V696 WeakPolarHBondContact O-CG1 3.35Å; P658-V696 HydrophobicContact CB-CG1 4.49Å; A673-V696 HydrophobicContact CB-CG2 4.45Å; V674-V696 VanDerWaalsContact C-CG2 3.42Å
697Y73.4Confident62.7Low167 Ų16798.6 Ų98.666%0.65553%0.526SS*.  trans-84.2148.2-175.6-58.8-80000113.9P658 P695 T699P658-Y697 WeakPolarHBondContact CD-O 3.43Å; P695-Y697 HydrophobicContact CG-CE1 4.09Å; P695-Y697 HydrophobicContact CG-CE2 4.07Å; P695-Y697 WeakPolarHBondContact CG-OH 3.3Å; P695-Y697 VanDerWaalsContact O-CD2 3.31Å; P695-Y697 WeakPolarHBondContact O-CD2 3.36Å; P695-Y697 WeakPolarHBondContact O-CE2 3.43Å; P695-Y697 PolarHBondContact O-N 2.91Å; Y697-T699 PolarHBondContact O-N 3.43Å
698D55.2Low59.6Low69 Ų69102.6 Ų102.637%0.36954%0.544SS..  trans-87.5101.9174.6179.72.6000111.3P658 S700 K701P658-D698 HydrophobicContact CG-CB 3.82Å; D698-S700 PolarHBondContact O-N 3.36Å; D698-S700 VanDerWaalsContact OD1-CB 3.22Å; D698-S700 WeakPolarHBondContact OD1-CB 3.17Å; D698-S700 PolarHBondContact OD1-N 3.26Å; D698-S700 PolarHBondContact OD1-OG 2.96Å; D698-S700 PolarHBondContact OD2-OG 3.33Å; D698-K701 PolarHBondContact O-N 2.88Å
699T50.9Low56.4Low103 Ų103106.2 Ų106.263%0.63256%0.558SS**THydrogen-bonded Turntrans-59.1-8.4177.248.60000115.3Y697Y697-T699 PolarHBondContact O-N 3.43Å
700S42Very low53.1Low90 Ų90112.6 Ų112.663%0.62959%0.592SS**THydrogen-bonded Turntrans-78.4-13.5-178.672.80000114.9D698D698-S700 PolarHBondContact O-N 3.36Å; D698-S700 VanDerWaalsContact OD1-CB 3.22Å; D698-S700 WeakPolarHBondContact OD1-CB 3.17Å; D698-S700 PolarHBondContact OD1-N 3.26Å; D698-S700 PolarHBondContact OD1-OG 2.96Å; D698-S700 PolarHBondContact OD2-OG 3.33Å
701K39Very low49.9Very low159 Ų159117 Ų11769%0.69161%0.614SS**SBendtrans-99.5-26.6-174.1-69.7-177.9-178171.90115.4D698D698-K701 PolarHBondContact O-N 2.88Å
702D29.2Very low46.5Very low114 Ų114121.1 Ų121.161%0.6164%0.644SS**  trans-106.173.2-174.5-79-61.6000113.7
703S29.7Very low43.4Very low117 Ų117122.1 Ų122.182%0.81865%0.646SS**SBendtrans-88.320.9162.656.80000113
704R28Very low40.4Very low226 Ų226124.1 Ų124.185%0.85366%0.659SS**SBendtrans-125.1-8-173-70.3-170.9176.1-174.5-0.3116.1
705I25.9Very low37Very low136 Ų136127 Ų12770%0.69768%0.683SS**  trans-13293174.1-52.1-179.4000109.1
706S23.8Very low33.9Very low115 Ų115133.5 Ų133.580%0.80471%0.709SS**  trans-160.865.4168.6-78.70000109.4
707N22.5Very low30.9Very low150 Ų150141 Ų14180%0.80274%0.743SS**  trans-143.2147.5165.4-91.9-22.2000107.2
708N26.2Very low28.5Very low136 Ų136138.5 Ų138.573%0.72775%0.745SS**  trans73.893.9174.9-58.731.9000116.8
709E24.6Very low26.9Very low167 Ų167144.1 Ų144.178%0.7877%0.766SS**  55.6124.9107.7-65.2172.4159.300121.6
710D23.3Very low25.5Very low157 Ų157145 Ų14584%0.8477%0.771SS**  trans76.2144.1136.1-72.53.3000124.1
711L22.2Very low24.7Very low167 Ų167152.1 Ų152.187%0.87478%0.784SS**  trans-79.2142.5179-66.2144000111.1
712T22.1Very low23.9Very low147 Ų147153 Ų15390%0.90279%0.791SS**  trans-153.5150.2145.15.10000111.9
713V22.2Very low23.6Very low128 Ų128154.1 Ų154.178%0.77681%0.806SS**  trans-89.2131.3-177.3174.20000110.6
714I24.2Very low23.4Very low164 Ų164151.7 Ų151.784%0.84180%0.799SS**  trans-137.3140.5152.9-63.2-174.3000108.2
715S21.2Very low23.2Very low91 Ų91149.6 Ų149.664%0.63680%0.802SS**  trans-105.3168.5173.1-57.50000110.8
716E22.2Very low23.1Very low185 Ų185149.8 Ų149.886%0.86480%0.803SS**  trans71.9153.3173-53.2176.1154.500114
717E21.8Very low23.3Very low173 Ų173152.9 Ų152.981%0.80880%0.802SS**  cis-147.81714.7-146-168.3-176.500112.4
718V21.6Very low23.4Very low114 Ų114151.9 Ų151.969%0.69180%0.797SS**  trans-50.8139.7176.1175.60000114
719K22.5Very low23.4Very low187 Ų187152.2 Ų152.281%0.81380%0.797SS**  trans-148.7101.9151.9-125.1150.2-161.1136.20115.7
720V22.2Very low23.4Very low122 Ų122149.8 Ų149.874%0.73980%0.796SS**  trans-59.4135.4161.1175.40000110
721R25.1Very low23.3Very low240 Ų240148 Ų14891%0.90680%0.796SS**  trans-140.689.8161.2-85.6-166.1166.6165.3-2.7111.8
722E21.1Very low23.4Very low177 Ų177150 Ų15083%0.82780%0.798SS**  trans-91.8123.4157.5179.8178.7-153.800108.6
723C23.4Very low23.3Very low137 Ų137154 Ų15493%0.92680%0.796SS**  trans-176115.6159.3-123.10000109.8
724G25.3Very low23.4Very low66 Ų66157.2 Ų157.268%0.6880%0.8SS**  cis-178.7173.9-5.900000112.8
725M24.2Very low23.3Very low182 Ų182154.8 Ų154.890%0.89780%0.798SS**  trans-72167.4161-61.2-164.4-176.800109.6
726L24Very low23.5Very low141 Ų141154.9 Ų154.974%0.73880%0.804SS**  cis-140.3164.428.8-72.6158.3000109
727K28.2Very low23.5Very low180 Ų180151.9 Ų151.978%0.78380%0.803SS**  cis-158.2140.647.7-69.2168.8179.2172.40113.2
728N24.7Very low23.6Very low129 Ų129147 Ų14769%0.6980%0.799SS**  trans59.9140.3132.7-61.512.4000120.1
729I25.4Very low23.7Very low143 Ų143151.5 Ų151.573%0.73381%0.809SS**  cis-150.9149.31.3-108.7154.6000108.7
730P24.2Very low23.9Very low116 Ų116148.7 Ų148.775%0.75381%0.808SS**  trans-84.6174.2178.635.3-36.2000114.2
731S22.6Very low24Very low120 Ų120148.1 Ų148.184%0.83981%0.805SS**  trans-74.6159.5-173.651.40000115.3
732F22.8Very low24Very low209 Ų209144.7 Ų144.792%0.91780%0.799SS**  trans-133.2152.2176.3-129.6-90.5000111.9
733R21.6Very low24.2Very low229 Ų229143 Ų14386%0.86480%0.796SS**  trans-122.4148.8173.8-84.2-178.2167.2-179.5-3.7110.7
734K23Very low24.5Very low197 Ų197141.2 Ų141.286%0.85778%0.783SS**  trans118.995.9154.3-68.6-174.9173.4-177.10118.1
735S22.2Very low24.4Very low113 Ų113145.1 Ų145.179%0.7978%0.783SS**  29.1112.8120.160.70000122.1
736A25.6Very low24.5Very low92 Ų92147.7 Ų147.776%0.7679%0.785SS**  trans-172.4128.5137.800000106.8
737S22.5Very low24.6Very low123 Ų123146.4 Ų146.486%0.8678%0.778SS**  cis84.6102.642.478.50000115
738G24.5Very low24.6Very low70 Ų70146.1 Ų146.172%0.72279%0.785SS**  trans137.7101.1173.800000111.1
739K23.9Very low24.8Very low208 Ų208144.8 Ų144.890%0.90479%0.792SS**  83.7108.862.7-82.3-166171.2-171.80114.4
740T26.2Very low24.6Very low128 Ų128145.8 Ų145.879%0.78580%0.798SS**  trans178.1112.2132.932.20000106.7
741T24.2Very low24.8Very low110 Ų110145 Ų14568%0.67580%0.795SS**  53.8129.290.759.60000111.7
742E25Very low25.1Very low168 Ų168146.1 Ų146.179%0.78579%0.791SS**  cis169.7169.430.9-108.9162.2-135.600104.6
743N24.2Very low25.2Very low142 Ų142143 Ų14376%0.75978%0.783SS**  cis-153.4-146.1-21.2-149.8-2.2000108.1
744P30.6Very low25.5Very low99 Ų99136.3 Ų136.364%0.64378%0.777SS**  trans-126-178.9-142.242.3-21.7000118.4
745E22.3Very low25.7Very low148 Ų148135.1 Ų135.169%0.69278%0.775SS**  trans38.7127.9148.5-73.5-174.8-168.500124.1N747E745-N747 PolarHBondContact OE2-ND2 3.41Å
746Y27.3Very low25.8Very low237 Ų237135.8 Ų135.893%0.92977%0.774SS**  -152.3115.1129-97.5-81.7000107.3
747N25.8Very low25.8Very low113 Ų113140.2 Ų140.260%0.60478%0.781SS**  cis85101.848.9-85.2-55.3000116.6E745E745-N747 PolarHBondContact OE2-ND2 3.41Å
748L27.3Very low26.1Very low175 Ų175142.5 Ų142.592%0.91678%0.778SS**  trans-171.3133.3150-129.573.3000107.6
749A29.2Very low26.1Very low101 Ų101145 Ų14584%0.83578%0.78SS**  cis-144.1-179.1-1.700000111.2
750L22.2Very low26.2Very low164 Ų164140.4 Ų140.486%0.85977%0.771SS**  trans-104.4175.3-163.2-147.287.9000115.4
751S27.4Very low26.3Very low100 Ų100141.8 Ų141.870%0.69977%0.774SS**  trans75137171.875.40000115.7
752N29.2Very low26.7Very low143 Ų143147.2 Ų147.277%0.76578%0.782SS**  cis-162.4166.92.6-117.310000108.6
753L25.5Very low26.9Very low143 Ų143144.9 Ų144.975%0.74977%0.774SS**  cis-163.5158.2-1.9175.961.5000108.5
754A27.6Very low27Very low88 Ų88146.8 Ų146.873%0.72778%0.778SS**  trans65.3117.1172.800000116.6
755E26.4Very low26.9Very low173 Ų173149.8 Ų149.881%0.80879%0.789SS**  cis101.6110.116.6-160.4171.3-124.700115.6
756T25.6Very low27.2Very low126 Ų126152.3 Ų152.377%0.77380%0.798SS**  trans65.9151.8164.4530000118.6
757M25.4Very low27.3Very low185 Ų185152.2 Ų152.291%0.91180%0.796SS**  cis-123.2175.627.4-56.6-153.7-58.100116.8
758Q28Very low27.3Very low171 Ų171156.7 Ų156.780%0.79981%0.814SS**  trans-104.7162.5-177.8-63.1175.3-47.400112.9
759T24.3Very low27.3Very low124 Ų124151.5 Ų151.576%0.76180%0.802SS**  trans37.3130.9151.249.90000121.7
760P26.3Very low27.3Very low110 Ų110158.4 Ų158.471%0.71481%0.806SS**  trans-98154.5-176.218.50.3000116.1W762P760-W762 PolarHBondContact O-N 3.07Å
761D28.5Very low27.5Very low158 Ų158155.6 Ų155.685%0.84580%0.8SS**  trans-83.875.2-172.4-61.7-61.9000115.5L763D761-L763 PolarHBondContact O-N 2.73Å; D761-L763 VanDerWaalsContact O-N 3.11Å
762W33.4Very low27.4Very low224 Ų224155.1 Ų155.185%0.84880%0.797SS**  trans-7924.4169.261.2-81.5000113.6P760P760-W762 PolarHBondContact O-N 3.07Å
763L28.4Very low27.5Very low119 Ų119157 Ų15762%0.62380%0.799SS**SBendtrans-144.126.8-153.5-126.7169.3000116D761D761-L763 PolarHBondContact O-N 2.73Å; D761-L763 VanDerWaalsContact O-N 3.11Å
764Q26.9Very low27.6Very low181 Ų181156.4 Ų156.485%0.84680%0.795SS**  trans-156.674.1169.4-133.7143.4114.100115.7
765D28.5Very low27.6Very low162 Ų162159 Ų15987%0.86680%0.797SS**  trans-137.561.4158.8-131.5-20.7000111.6
766F27.5Very low27.7Very low201 Ų201154.9 Ų154.988%0.88279%0.787SS**SBendtrans-141119.5166.8-105.9-84.7000108.6
767R29.2Very low27.8Very low236 Ų236153.7 Ų153.789%0.89178%0.784SS**  trans80.995.3-175.9-53.7179.1176.7-176.40116.6G769R767-G769 PolarHBondContact O-N 2.9Å
768E27Very low28Very low207 Ų207151.8 Ų151.897%0.96778%0.777SS**  trans-57.5129.2137.4-61.8-173.3118.800109.1
769G25.9Very low28.1Very low65 Ų65151 Ų15167%0.6777%0.773SS**  trans-174.446.6-163.900000119.8R767R767-G769 PolarHBondContact O-N 2.9Å
770R29.6Very low28.2Very low246 Ų246150.2 Ų150.293%0.92877%0.772SS**  trans77.4106.6164.9-47.9179.5-165.1-161.63.4118.9
771S26.8Very low28.3Very low105 Ų105153.1 Ų153.173%0.73478%0.781SS**  79.393.3112.9-147.80000121.8
772S25.5Very low28.1Very low90 Ų90150.3 Ų150.363%0.62977%0.774SS**  99.2147.7111.480.10000122
773K31.1Very low27.9Very low184 Ų184150.3 Ų150.380%0.878%0.775SS**  trans77.5142.2161.6-57.6178.9-175.4177.10116.6
774L28.3Very low27.8Very low130 Ų130150.3 Ų150.368%0.68179%0.785SS**  cis-162.3146-9.7-111.4166.9000109.3
775N26.8Very low27.8Very low142 Ų142152.2 Ų152.276%0.75979%0.786SS**  trans39.2147.9141.4-72.316.5000122.9
776S29.3Very low27.9Very low87 Ų87153 Ų15361%0.60878%0.782SS**  cis-177.8158.4-5.246.60000112.6
777S27.6Very low28Very low101 Ų101149.2 Ų149.271%0.70678%0.777SS**  trans66.9149.4145.363.30000119.6
778L28.2Very low27.9Very low144 Ų144142.5 Ų142.575%0.75477%0.767SS**  cis-161.2176.31.8-125.1170.2000112
779H31.4Very low28.1Very low156 Ų156135.8 Ų135.872%0.72274%0.741SS**  trans73.682.4161.4-75.6-68.1000121.9
780S25Very low28.6Very low106 Ų106137.3 Ų137.374%0.74174%0.737SS**  45.1114.5105.4171.90000120.4
781L29.2Very low28.8Very low172 Ų172132.2 Ų132.290%0.90172%0.722SS**  trans-144.2154.6131.3-111.8167.1000110
782S24Very low29Very low99 Ų99130.8 Ų130.869%0.69271%0.712SS**  trans-99.3128.8-156.856.60000115.4
783Y29.5Very low29.8Very low224 Ų224129.6 Ų129.688%0.87870%0.701SS**  trans-128.4144.2155.2-92.9-87.8000110.9Y785Y783-Y785 PolarHBondContact O-N 2.89Å
784S26.3Very low30.3Very low119 Ų119123.5 Ų123.583%0.83268%0.675SS**  trans-83.592.6-169.4-170.80000112.2K786S784-K786 PolarHBondContact O-N 3.07Å
785Y27.3Very low30.7Very low220 Ų220119.1 Ų119.186%0.86365%0.654SS**  trans-77.6111.5164.5-90.6-93.9000110.1Y783Y783-Y785 PolarHBondContact O-N 2.89Å
786K29.5Very low31.4Very low180 Ų180116 Ų11678%0.78364%0.643SS**PPolyproline II helixtrans-70.3136.6155.8-69.5-179.2178.8177.60107.7S784 S788S784-K786 PolarHBondContact O-N 3.07Å; K786-S788 PolarHBondContact O-N 3.44Å
787P31Very low32.2Very low121 Ų121119.6 Ų119.679%0.78664%0.643SS**PPolyproline II helixtrans-64.9132.8174.827.3-33.5000109.9
788S26.5Very low33.1Very low95 Ų95115.9 Ų115.966%0.66462%0.617SS**PPolyproline II helixtrans-56.9143.5167.5-55.60000109.7K786K786-S788 PolarHBondContact O-N 3.44Å
789P31.4Very low33.7Very low65 Ų65112.5 Ų112.542%0.42260%0.6SS.*PPolyproline II helixtrans-62.8152.3172.530.6-35.6000109.8V793 Q794P789-V793 HydrophobicContact CB-CB 4.11Å; P789-V793 HydrophobicContact CB-CG1 3.96Å; P789-Q794 HydrophobicContact CG-CG 4.33Å
790T35.4Very low34.4Very low98 Ų98112 Ų11260%0.60160%0.596SS**PPolyproline II helixtrans-57.9149-178.948.50000111.9S792 V793 Q794T790-S792 PolarHBondContact O-N 2.61Å; T790-V793 WeakPolarHBondContact O-CA 3.41Å; T790-V793 WeakPolarHBondContact O-CB 3.45Å; T790-V793 PolarHBondContact O-N 2.8Å; T790-Q794 PolarHBondContact O-N 3.1Å
791F33.7Very low35.5Very low138 Ų138110.1 Ų110.161%0.60558%0.577SS**Hα-helixtrans-48.6-38.8-175.9-174.4-109.1000113.9V793 Q794 V795F791-V793 VanDerWaalsContact C-N 3.28Å; F791-V793 PolarHBondContact O-N 3.44Å; F791-Q794 PolarHBondContact O-N 3.38Å; F791-V795 HydrophobicContact CD1-CG2 4.25Å; F791-V795 HydrophobicContact CE1-CG2 3.98Å; F791-V795 HydrophobicContact CZ-CG2 4.14Å; F791-V795 WeakPolarHBondContact O-CG2 3.28Å; F791-V795 PolarHBondContact O-N 2.87Å
792S32.8Very low36Very low75 Ų75102.9 Ų102.952%0.52454%0.542SS..Hα-helixtrans-63.8-27.9176.160.30000114.1T790 S796T790-S792 PolarHBondContact O-N 2.61Å; S792-S796 WeakPolarHBondContact O-CB 3.44Å; S792-S796 PolarHBondContact O-N 3.44Å; S792-S796 PolarHBondContact O-OG 2.84Å
793V40.8Very low36.9Very low65 Ų65101.9 Ų101.939%0.39453%0.531SS..Hα-helixtrans-78.1-34.2175.5177.70000111.1P789 T790 F791 R797P789-V793 HydrophobicContact CB-CB 4.11Å; P789-V793 HydrophobicContact CB-CG1 3.96Å; T790-V793 WeakPolarHBondContact O-CA 3.41Å; T790-V793 WeakPolarHBondContact O-CB 3.45Å; T790-V793 PolarHBondContact O-N 2.8Å; F791-V793 VanDerWaalsContact C-N 3.28Å; F791-V793 PolarHBondContact O-N 3.44Å; V793-R797 WeakPolarHBondContact O-CB 3.25Å; V793-R797 PolarHBondContact O-N 2.85Å; V793-R797 VanDerWaalsContact O-N 3.13Å
794Q41.4Very low37.6Very low57 Ų5797.1 Ų97.127%0.26652%0.517SS..Hα-helixtrans-63.4-55.1168.6-73.3174.7-64.500110E26 P789 T790 F791 S796 R797 C798E26-Q794 PolarHBondContact OE1-NE2 2.97Å; P789-Q794 HydrophobicContact CG-CG 4.33Å; T790-Q794 PolarHBondContact O-N 3.1Å; F791-Q794 PolarHBondContact O-N 3.38Å; Q794-S796 VanDerWaalsContact C-N 3.29Å; Q794-S796 PolarHBondContact O-N 3.03Å; Q794-R797 WeakPolarHBondContact O-CA 3.34Å; Q794-R797 WeakPolarHBondContact O-CB 3.29Å; Q794-R797 PolarHBondContact O-N 3.12Å; Q794-C798 PolarHBondContact O-N 2.85Å; Q794-C798 PolarHBondContact O-SG 2.62Å
795V38.2Very low38.3Very low37 Ų3796 Ų9622%0.22450%0.499CS..Hα-helixtrans-55.7-41.4177.8173.80000112.1F791 R797 C798 L799F791-V795 HydrophobicContact CD1-CG2 4.25Å; F791-V795 HydrophobicContact CE1-CG2 3.98Å; F791-V795 HydrophobicContact CZ-CG2 4.14Å; F791-V795 WeakPolarHBondContact O-CG2 3.28Å; F791-V795 PolarHBondContact O-N 2.87Å; V795-R797 VanDerWaalsContact C-N 3.26Å; V795-R797 PolarHBondContact O-N 2.69Å; V795-C798 PolarHBondContact O-N 2.84Å; V795-L799 HydrophobicContact CG1-CD1 3.94Å; V795-L799 PolarHBondContact O-N 3.1Å
796S41.3Very low38.7Very low77 Ų7786.8 Ų86.854%0.53847%0.465SS..Hα-helixtrans-65.4-26.8175.8-62.40000113.7S792 Q794 K800S792-S796 WeakPolarHBondContact O-CB 3.44Å; S792-S796 PolarHBondContact O-N 3.44Å; S792-S796 PolarHBondContact O-OG 2.84Å; Q794-S796 VanDerWaalsContact C-N 3.29Å; Q794-S796 PolarHBondContact O-N 3.03Å; S796-K800 PolarHBondContact O-N 3.31Å
797R44.9Very low39Very low162 Ų16279.9 Ų79.961%0.61144%0.44SS*.Hα-helixtrans-80.3-42.4175.4-152.1179-142.3137.32110.7V793 Q794 V795 K800 N801V793-R797 WeakPolarHBondContact O-CB 3.25Å; V793-R797 PolarHBondContact O-N 2.85Å; V793-R797 VanDerWaalsContact O-N 3.13Å; Q794-R797 WeakPolarHBondContact O-CA 3.34Å; Q794-R797 WeakPolarHBondContact O-CB 3.29Å; Q794-R797 PolarHBondContact O-N 3.12Å; V795-R797 VanDerWaalsContact C-N 3.26Å; V795-R797 PolarHBondContact O-N 2.69Å; R797-K800 CarbonylContact O-C 3.57Å; R797-K800 WeakPolarHBondContact O-CB 3.34Å; R797-K800 PolarHBondContact O-N 2.92Å; R797-K800 VanDerWaalsContact O-N 3.13Å; R797-N801 VanDerWaalsContact O-CG 3.27Å; R797-N801 PolarHBondContact O-N 2.77Å; R797-N801 PolarHBondContact O-OD1 2.89Å
798C46.6Very low39.3Very low24 Ų2478.2 Ų78.216%0.16244%0.436CS..Hα-helixtrans-62.1-47.6176.2-55.30000111E24 Q794 V795 K800 N801 A802E24-C798 HydrophobicContact CB-CB 4.38Å; E24-C798 WeakPolarHBondContact OE2-CA 3.44Å; E24-C798 WeakPolarHBondContact OE2-CB 3.35Å; Q794-C798 PolarHBondContact O-N 2.85Å; Q794-C798 PolarHBondContact O-SG 2.62Å; V795-C798 PolarHBondContact O-N 2.84Å; C798-K800 VanDerWaalsContact C-N 3.29Å; C798-K800 PolarHBondContact O-N 3.01Å; C798-N801 PolarHBondContact O-N 3.37Å; C798-A802 WeakPolarHBondContact O-CB 3.42Å; C798-A802 PolarHBondContact O-N 3.49Å
799L41.9Very low39.4Very low73 Ų7376.2 Ų76.238%0.38242%0.418SS..Hα-helixtrans-58.6-40.3172.3-10385.5000111.7V795 V803V795-L799 HydrophobicContact CG1-CD1 3.94Å; V795-L799 PolarHBondContact O-N 3.1Å; L799-V803 WeakPolarHBondContact O-CB 3.49Å; L799-V803 WeakPolarHBondContact O-CG2 3.42Å; L799-V803 PolarHBondContact O-N 3.37Å
800K46.2Very low39.2Very low146 Ų14678.4 Ų78.464%0.63543%0.432SS*.Hα-helixtrans-64.1-43.6175.3-100.5-176.2172.6-1790112.6S796 R797 C798 Q804S796-K800 PolarHBondContact O-N 3.31Å; R797-K800 CarbonylContact O-C 3.57Å; R797-K800 WeakPolarHBondContact O-CB 3.34Å; R797-K800 PolarHBondContact O-N 2.92Å; R797-K800 VanDerWaalsContact O-N 3.13Å; C798-K800 VanDerWaalsContact C-N 3.29Å; C798-K800 PolarHBondContact O-N 3.01Å; K800-Q804 VanDerWaalsContact O-CB 3.25Å; K800-Q804 WeakPolarHBondContact O-CB 3.33Å; K800-Q804 VanDerWaalsContact O-CG 3.25Å; K800-Q804 WeakPolarHBondContact O-CG 3.27Å; K800-Q804 PolarHBondContact O-N 3.31Å
801N47Very low38.9Very low65 Ų6579.3 Ų79.335%0.34843%0.428SS..Hα-helixtrans-65.3-55.9178.6-68.3-10.8000111.1E24 R797 C798 V803 Q804 E805E24-N801 PolarHBondContact OE1-ND2 2.83Å; R797-N801 VanDerWaalsContact O-CG 3.27Å; R797-N801 PolarHBondContact O-N 2.77Å; R797-N801 PolarHBondContact O-OD1 2.89Å; C798-N801 PolarHBondContact O-N 3.37Å; N801-V803 VanDerWaalsContact C-N 3.32Å; N801-V803 PolarHBondContact O-N 3.47Å; N801-Q804 PolarHBondContact O-N 3.43Å; N801-E805 PolarHBondContact O-N 3.47Å
802A39.3Very low38.6Very low21 Ų2181.3 Ų81.317%0.17443%0.431CS..Hα-helixtrans-62.4-36.4-179.500000112.5A21 C798 T806A21-A802 HydrophobicContact CB-CB 4.24Å; C798-A802 WeakPolarHBondContact O-CB 3.42Å; C798-A802 PolarHBondContact O-N 3.49Å; A802-T806 WeakPolarHBondContact O-CB 3.42Å; A802-T806 WeakPolarHBondContact O-CG2 3.46Å; A802-T806 PolarHBondContact O-N 3.03Å; A802-T806 PolarHBondContact O-OG1 3.08Å
803V43.6Very low38.5Very low77 Ų7783.7 Ų83.747%0.46743%0.432SS..Hα-helixtrans-68.7-44.9169.9172.90000110.5L799 N801 E805 T806 S807L799-V803 WeakPolarHBondContact O-CB 3.49Å; L799-V803 WeakPolarHBondContact O-CG2 3.42Å; L799-V803 PolarHBondContact O-N 3.37Å; N801-V803 VanDerWaalsContact C-N 3.32Å; N801-V803 PolarHBondContact O-N 3.47Å; V803-E805 PolarHBondContact O-N 2.98Å; V803-T806 WeakPolarHBondContact CA-OG1 3.49Å; V803-T806 PolarHBondContact O-OG1 2.85Å; V803-S807 WeakPolarHBondContact O-CA 3.3Å; V803-S807 WeakPolarHBondContact O-CB 3.5Å; V803-S807 PolarHBondContact O-N 3.4Å; V803-S807 PolarHBondContact O-OG 3.3Å
804Q44.9Very low38Very low124 Ų12487 Ų8758%0.57945%0.447SS*.Hα-helixtrans-58.7-46.4178.2-81.1-174.5-97.100112.1K800 N801 S807 A808K800-Q804 VanDerWaalsContact O-CB 3.25Å; K800-Q804 WeakPolarHBondContact O-CB 3.33Å; K800-Q804 VanDerWaalsContact O-CG 3.25Å; K800-Q804 WeakPolarHBondContact O-CG 3.27Å; K800-Q804 PolarHBondContact O-N 3.31Å; N801-Q804 PolarHBondContact O-N 3.43Å; Q804-S807 CarbonylContact O-C 3.58Å; Q804-S807 PolarHBondContact O-N 3.19Å; Q804-S807 PolarHBondContact O-OG 3.33Å; Q804-A808 PolarHBondContact O-N 3.34Å; Q804-A808 VanDerWaalsContact O-N 3.07Å
805E40Very low37.3Very low97 Ų9787.9 Ų87.945%0.45345%0.451SS..Hα-helixtrans-65.9-49178.5-68.8-165.7152.200113.1N20 N801 V803 S807 A808N20-E805 PolarHBondContact ND2-OE2 2.66Å; N801-E805 PolarHBondContact O-N 3.47Å; V803-E805 PolarHBondContact O-N 2.98Å; E805-S807 PolarHBondContact O-N 2.79Å; E805-A808 WeakPolarHBondContact O-CB 3.01Å; E805-A808 PolarHBondContact O-N 3.46Å
806T35.6Very low36.9Very low25 Ų2591.2 Ų91.215%0.15347%0.467CS..Hα-helixtrans-63.4-30.1174.751.80000111.8A17 A802 V803 A808 L809A17-T806 HydrophobicContact CB-CG2 3.86Å; A802-T806 WeakPolarHBondContact O-CB 3.42Å; A802-T806 WeakPolarHBondContact O-CG2 3.46Å; A802-T806 PolarHBondContact O-N 3.03Å; A802-T806 PolarHBondContact O-OG1 3.08Å; V803-T806 WeakPolarHBondContact CA-OG1 3.49Å; V803-T806 PolarHBondContact O-OG1 2.85Å; T806-A808 VanDerWaalsContact C-N 3.27Å; T806-A808 PolarHBondContact O-N 2.91Å; T806-L809 WeakPolarHBondContact O-CB 3.42Å; T806-L809 PolarHBondContact O-N 2.82Å
807S37.6Very low36.4Very low36 Ų3689.5 Ų89.525%0.25246%0.455SS..THydrogen-bonded Turntrans-77.9-6.7174.596.20000114.2V803 Q804 E805 K811V803-S807 WeakPolarHBondContact O-CA 3.3Å; V803-S807 WeakPolarHBondContact O-CB 3.5Å; V803-S807 PolarHBondContact O-N 3.4Å; V803-S807 PolarHBondContact O-OG 3.3Å; Q804-S807 CarbonylContact O-C 3.58Å; Q804-S807 PolarHBondContact O-N 3.19Å; Q804-S807 PolarHBondContact O-OG 3.33Å; E805-S807 PolarHBondContact O-N 2.79Å; S807-K811 VanDerWaalsContact CB-CE 3.47Å; S807-K811 VanDerWaalsContact O-CE 3.29Å; S807-K811 WeakPolarHBondContact O-CE 3.5Å; S807-K811 WeakPolarHBondContact O-CG 3.38Å; S807-K811 PolarHBondContact O-NZ 2.8Å; S807-K811 PolarHBondContact OG-NZ 3.07Å
808A35.8Very low35.8Very low85 Ų8585.2 Ų85.270%0.70244%0.444SS*.THydrogen-bonded Turntrans-93.1-9.6172.100000113Q804 E805 T806Q804-A808 PolarHBondContact O-N 3.34Å; Q804-A808 VanDerWaalsContact O-N 3.07Å; E805-A808 WeakPolarHBondContact O-CB 3.01Å; E805-A808 PolarHBondContact O-N 3.46Å; T806-A808 VanDerWaalsContact C-N 3.27Å; T806-A808 PolarHBondContact O-N 2.91Å
809L29.2Very low35.2Very low53 Ų5390.9 Ų90.928%0.27747%0.473SS..SBendtrans-61.9165159.7-76.7166.2000110.6S13 L14 T806 K811S13-L809 WeakPolarHBondContact OG-CD2 3.27Å; L14-L809 HydrophobicContact CD2-CD1 4.13Å; T806-L809 WeakPolarHBondContact O-CB 3.42Å; T806-L809 PolarHBondContact O-N 2.82Å; L809-K811 VanDerWaalsContact C-N 3.26Å; L809-K811 PolarHBondContact O-N 3.03Å
810P26.5Very low35Very low111 Ų11194.8 Ų94.872%0.72149%0.489SS*.  trans-62.581.8-178.5-2536.2000113.3R812P810-R812 VanDerWaalsContact C-N 3.33Å; P810-R812 PolarHBondContact O-N 2.95Å
811K29.1Very low34.5Very low117 Ų11790.2 Ų90.251%0.50947%0.47SS..  trans-51.195.4166.7-76-178.9173.1109.10108.3S807 L809 K813 K1097S807-K811 VanDerWaalsContact CB-CE 3.47Å; S807-K811 VanDerWaalsContact O-CE 3.29Å; S807-K811 WeakPolarHBondContact O-CE 3.5Å; S807-K811 WeakPolarHBondContact O-CG 3.38Å; S807-K811 PolarHBondContact O-NZ 2.8Å; S807-K811 PolarHBondContact OG-NZ 3.07Å; L809-K811 VanDerWaalsContact C-N 3.26Å; L809-K811 PolarHBondContact O-N 3.03Å; K811-K813 VanDerWaalsContact C-N 3.33Å; K811-K813 PolarHBondContact O-N 3.24Å; K811-K813 VanDerWaalsContact O-N 3.12Å; K811-K1097 WeakPolarHBondContact O-CE 3.15Å; K811-K1097 PolarHBondContact O-NZ 3.26Å
812R28.4Very low34.2Very low180 Ų18093.8 Ų93.868%0.67949%0.489SS*.  trans-62.1111145.1-92.5-168.5168122.21.5104.2P810 L814P810-R812 VanDerWaalsContact C-N 3.33Å; P810-R812 PolarHBondContact O-N 2.95Å; R812-L814 PolarHBondContact O-N 2.9Å
813K29.3Very low34.8Very low126 Ų12697.8 Ų97.855%0.54852%0.516SS..  trans-51.8103.9170.7-103.7169.9158.1-138.60106.9K811 E815 R1095K811-K813 VanDerWaalsContact C-N 3.33Å; K811-K813 PolarHBondContact O-N 3.24Å; K811-K813 VanDerWaalsContact O-N 3.12Å; K813-E815 HydrophobicContact CB-CB 4.17Å; K813-E815 VanDerWaalsContact CD-OE2 3.23Å; K813-E815 WeakPolarHBondContact CD-OE2 3.41Å; K813-E815 VanDerWaalsContact CE-CD 3.46Å; K813-E815 WeakPolarHBondContact CE-OE1 3.39Å; K813-E815 WeakPolarHBondContact CE-OE2 3.42Å; K813-E815 HydrophobicContact CG-CG 4.41Å; K813-E815 IonicContact NZ-OE1 2.75Å; K813-E815 PolarHBondContact NZ-OE1 3.25Å; K813-E815 IonicContact NZ-OE2 3.46Å; K813-E815 PolarHBondContact NZ-OE2 2.93Å; K813-E815 PolarHBondContact O-N 3.27Å; K813-R1095 PolarHBondContact O-NH1 3.15Å
814L31.2Very low35.7Very low133 Ų13397.6 Ų97.670%0.69651%0.512SS*.  trans-82.328.3160.3-113.2169.6000110.3R812 L816R812-L814 PolarHBondContact O-N 2.9Å; L814-L816 PolarHBondContact O-N 3.14Å
815E27.4Very low37.1Very low76 Ų7692.7 Ų92.736%0.35549%0.491SS..  trans-50.5122.1133.6-85.4168.8-159.400107.5K813 R1095K813-E815 HydrophobicContact CB-CB 4.17Å; K813-E815 VanDerWaalsContact CD-OE2 3.23Å; K813-E815 WeakPolarHBondContact CD-OE2 3.41Å; K813-E815 VanDerWaalsContact CE-CD 3.46Å; K813-E815 WeakPolarHBondContact CE-OE1 3.39Å; K813-E815 WeakPolarHBondContact CE-OE2 3.42Å; K813-E815 HydrophobicContact CG-CG 4.41Å; K813-E815 IonicContact NZ-OE1 2.75Å; K813-E815 PolarHBondContact NZ-OE1 3.25Å; K813-E815 IonicContact NZ-OE2 3.46Å; K813-E815 PolarHBondContact NZ-OE2 2.93Å; K813-E815 PolarHBondContact O-N 3.27Å; E815-R1095 PolarHBondContact O-NH1 2.97Å; E815-R1095 IonicContact OE2-CZ 2.7Å; E815-R1095 IonicContact OE2-NH1 3.57Å; E815-R1095 PolarHBondContact OE2-NH1 3.12Å; E815-R1095 IonicContact OE2-NH2 3.51Å; E815-R1095 PolarHBondContact OE2-NH2 3.38Å
816L29.8Very low39.2Very low107 Ų10788.1 Ų88.156%0.5647%0.47SS*.  trans-49.3155.4143.4-67.2152.3000107.9L814 D818L814-L816 PolarHBondContact O-N 3.14Å; L816-D818 PolarHBondContact O-N 3.25Å
817S30.4Very low41.2Very low41 Ų4193 Ų9329%0.28749%0.485SS..  trans-6990.8165.841.50000108.1D819 E820S817-D819 PolarHBondContact O-N 2.97Å; S817-E820 PolarHBondContact O-N 3.22Å
818D32.5Very low43.3Very low72 Ų7294.4 Ų94.439%0.38551%0.506SS..Hα-helixtrans-53-24.2172.8-71.4-66.1000110.9L816 E820 E821 R827L816-D818 PolarHBondContact O-N 3.25Å; D818-E820 PolarHBondContact O-N 2.9Å; D818-E821 PolarHBondContact O-N 2.86Å; D818-E821 VanDerWaalsContact O-N 3.09Å; D818-R827 IonicContact OD1-NH2 2.87Å
819D34Very low45.9Very low143 Ų14390.4 Ų90.477%0.76547%0.473SS*.Hα-helixtrans-57.9-8.2170.2-46.2-71.3000115.7S817S817-D819 PolarHBondContact O-N 2.97Å
820E37.4Very low48.8Very low156 Ų15688.8 Ų88.873%0.72947%0.465SS*.Hα-helixtrans-124.4-4.5167.5-73.3-163.9162.800114.6S817 D818S817-E820 PolarHBondContact O-N 3.22Å; D818-E820 PolarHBondContact O-N 2.9Å
821E36Very low52Low49 Ų4983.5 Ų83.523%0.22943%0.431CS..Hα-helixtrans-91.6-12.4-179.7-79.6-153.7172.300115.2D818 S823 L824 R827D818-E821 PolarHBondContact O-N 2.86Å; D818-E821 VanDerWaalsContact O-N 3.09Å; E821-S823 PolarHBondContact O-N 2.79Å; E821-L824 HydrophobicContact CG-CD1 4.09Å; E821-L824 PolarHBondContact O-N 3.17Å; E821-R827 IonicContact OE2-CZ 2.8Å; E821-R827 IonicContact OE2-NE 2.76Å; E821-R827 IonicContact OE2-NH2 2.63Å; E821-R827 PolarHBondContact OE2-NH2 3.35Å
822D40.3Very low55Low140 Ų14078 Ų7875%0.74941%0.407SS*.THydrogen-bonded Turntrans-70.224.9-179-100.44.7000114.5
823S52Low58Low106 Ų10669.7 Ų69.774%0.74138%0.376SS*.THydrogen-bonded Turntrans-146.110.5176.8-68.60000114.7E821 C825E821-S823 PolarHBondContact O-N 2.79Å; S823-C825 PolarHBondContact O-N 3.26Å
824L61.6Low60.9Low72 Ų7263.7 Ų63.738%0.37735%0.35SS..  trans-81.1106.4176.7-69.6177.4000111.9E821 L826 R827 L851E821-L824 HydrophobicContact CG-CD1 4.09Å; E821-L824 PolarHBondContact O-N 3.17Å; L824-L826 VanDerWaalsContact C-N 3.34Å; L824-L826 PolarHBondContact O-N 3.1Å; L824-R827 PolarHBondContact O-N 2.83Å; L824-L851 CarbonylContact C-O 3.55Å
825C75.8Confident63.5Low22 Ų2264.6 Ų64.615%0.14935%0.348CS..THydrogen-bonded Turntrans-68.5-17.9-161630000116.9S823 L851 R927S823-C825 PolarHBondContact O-N 3.26Å; C825-L851 PolarHBondContact N-O 3.07Å; C825-R927 WeakPolarHBondContact O-CB 3.32Å
826L84.3Confident66.2Low0 Ų063.6 Ų63.60%034%0.344CS..THydrogen-bonded Turntrans-111.120.3178.2-66-171.5000114L824 G828 V829 L851 G852 G853 W917 L918 R927L824-L826 VanDerWaalsContact C-N 3.34Å; L824-L826 PolarHBondContact O-N 3.1Å; L826-G828 PolarHBondContact O-N 2.92Å; L826-V829 HydrophobicContact CB-CB 4.2Å; L826-V829 HydrophobicContact CB-CG2 4.43Å; L826-V829 HydrophobicContact CD2-CG2 4.23Å; L826-V829 VanDerWaalsContact O-CB 3.3Å; L826-V829 WeakPolarHBondContact O-CB 3.47Å; L826-V829 PolarHBondContact O-N 2.96Å; L826-L851 HydrophobicContact CB-CB 4.07Å; L826-L851 HydrophobicContact CD1-CB 3.78Å; L826-L851 HydrophobicContact CD1-CD1 3.68Å; L826-L851 HydrophobicContact CD1-CG 4.38Å; L826-L851 HydrophobicContact CG-CB 3.78Å; L826-L851 HydrophobicContact CG-CD1 4.16Å; L826-L851 PolarHBondContact N-O 2.8Å; L826-G852 CarbonylContact C-O 3.59Å; L826-G853 WeakPolarHBondContact O-CA 3.49Å; L826-W917 HydrophobicContact CD1-CH2 4.4Å; L826-W917 HydrophobicContact CD1-CZ3 4.2Å; L826-W917 HydrophobicContact CD2-CH2 3.54Å; L826-W917 HydrophobicContact CD2-CZ2 4.04Å; L826-W917 HydrophobicContact CD2-CZ3 4.13Å; L826-L918 HydrophobicContact CD1-CD2 3.66Å; L826-R927 HydrophobicContact CD2-CG 4.15Å
827R77.4Confident68.9Low127 Ų12759.1 Ų59.148%0.47932%0.32SS..THydrogen-bonded Turntrans-51.2123.5176.3-156.6178.6-158.7-172.48.7111D818 E821 L824 G852D818-R827 IonicContact OD1-NH2 2.87Å; E821-R827 IonicContact OE2-CZ 2.8Å; E821-R827 IonicContact OE2-NE 2.76Å; E821-R827 IonicContact OE2-NH2 2.63Å; E821-R827 PolarHBondContact OE2-NH2 3.35Å; L824-R827 PolarHBondContact O-N 2.83Å; R827-G852 WeakPolarHBondContact CA-O 3.44Å
828G82.1Confident71.4Confident67 Ų6760.5 Ų60.569%0.69133%0.33SS*.THydrogen-bonded Turntrans81.22-178.300000116.1L826L826-G828 PolarHBondContact O-N 2.92Å
829V89Confident73.8Confident1 Ų162.3 Ų62.31%0.00635%0.348CS..  trans-86.3131169.9172.40000109.6L826 I831 D854 W917L826-V829 HydrophobicContact CB-CB 4.2Å; L826-V829 HydrophobicContact CB-CG2 4.43Å; L826-V829 HydrophobicContact CD2-CG2 4.23Å; L826-V829 VanDerWaalsContact O-CB 3.3Å; L826-V829 WeakPolarHBondContact O-CB 3.47Å; L826-V829 PolarHBondContact O-N 2.96Å; V829-I831 HydrophobicContact CG1-CD1 3.83Å; V829-I831 HydrophobicContact CG1-CG1 3.57Å; V829-D854 PolarHBondContact O-N 2.63Å; V829-W917 HydrophobicContact CG1-CH2 4.26Å
830V91.1Very high76.3Confident19 Ų1959.2 Ų59.212%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-122.5117.6174.7-172.30000109D854 K856 V863 T865 H866V830-D854 CarbonylContact C-O 3.6Å; V830-D854 VanDerWaalsContact CA-O 3.29Å; V830-D854 WeakPolarHBondContact CA-O 3.44Å; V830-D854 HydrophobicContact CG2-CB 4.36Å; V830-K856 HydrophobicContact CG1-CG 4.16Å; V830-V863 VanDerWaalsContact CB-O 3.24Å; V830-V863 WeakPolarHBondContact CB-O 3.47Å; V830-V863 HydrophobicContact CG1-CG1 4.38Å; V830-V863 WeakPolarHBondContact CG1-O 3.43Å; V830-T865 PolarHBondContact N-OG1 3.21Å; V830-T865 PolarHBondContact O-N 3.45Å; V830-T865 PolarHBondContact O-OG1 3Å; V830-H866 PolarHBondContact O-N 2.7Å; V830-H866 VanDerWaalsContact O-N 3.1Å
831I92.4Very high78.7Confident0 Ų053 Ų530%030%0.297CS..EExtended strand (participates in β ladder)trans-106.5139.5-171.2-50.2-155.4000112.1V829 V848 D854 F855 K856 H866 I868 W917 L918V829-I831 HydrophobicContact CG1-CD1 3.83Å; V829-I831 HydrophobicContact CG1-CG1 3.57Å; I831-V848 HydrophobicContact CB-CG2 4.26Å; I831-V848 HydrophobicContact CD1-CG2 3.61Å; I831-V848 HydrophobicContact CG1-CG1 4.3Å; I831-V848 HydrophobicContact CG1-CG2 4.06Å; I831-D854 PolarHBondContact N-O 2.67Å; I831-F855 CarbonylContact O-C 3.58Å; I831-F855 WeakPolarHBondContact O-CA 3.4Å; I831-F855 WeakPolarHBondContact O-CB 3.31Å; I831-K856 PolarHBondContact O-N 2.98Å; I831-H866 WeakPolarHBondContact CA-O 3.45Å; I831-H866 HydrophobicContact CD1-CB 4.5Å; I831-H866 HydrophobicContact CG1-CB 4.26Å; I831-I868 HydrophobicContact CD1-CD1 4.36Å; I831-I868 HydrophobicContact CG2-CD1 3.7Å; I831-I868 HydrophobicContact CG2-CG1 3.73Å; I831-W917 HydrophobicContact CD1-CZ3 3.78Å; I831-L918 HydrophobicContact CD1-CD2 3.9Å
832C92.1Very high81.1Confident2 Ų254.9 Ų54.91%0.01431%0.311CS..EExtended strand (participates in β ladder)trans-107.9145.1155.8-169.70000109.7Y859 H866 M867 I868C832-Y859 HydrophobicContact CB-CD2 4.19Å; C832-Y859 VanDerWaalsContact SG-CA 3.59Å; C832-Y859 PolarHBondContact SG-N 2.93Å; C832-H866 PolarHBondContact N-O 2.66Å; C832-M867 HydrophobicContact CB-CE 4.22Å; C832-M867 CarbonylContact O-C 3.53Å; C832-M867 VanDerWaalsContact O-CA 3.25Å; C832-M867 WeakPolarHBondContact O-CA 3.39Å; C832-I868 PolarHBondContact O-N 2.97Å
833V91.8Very high83.5Confident5 Ų552.3 Ų52.33%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-94.3135.5167.31800000107.9L837 Q841 L844V833-L837 HydrophobicContact CG1-CB 3.52Å; V833-Q841 HydrophobicContact CB-CB 4.24Å; V833-Q841 HydrophobicContact CB-CG 3.86Å; V833-Q841 HydrophobicContact CG1-CB 4.27Å; V833-Q841 HydrophobicContact CG1-CG 4.43Å; V833-Q841 HydrophobicContact CG2-CB 4.44Å; V833-Q841 HydrophobicContact CG2-CG 3.98Å; V833-L844 HydrophobicContact CG1-CD1 3.99Å; V833-L844 HydrophobicContact CG2-CB 4.1Å; V833-L844 HydrophobicContact CG2-CD1 4.01Å
834A90.5Very high85.3Confident0 Ų047.3 Ų47.30%026%0.26CS..  trans-66.5148.6177.100000111.7H836 L837 M867 I868 D901 V902A834-H836 VanDerWaalsContact C-N 3.25Å; A834-H836 WeakPolarHBondContact CB-ND1 3.48Å; A834-H836 PolarHBondContact O-N 3.38Å; A834-H836 VanDerWaalsContact O-N 3.1Å; A834-L837 WeakPolarHBondContact O-CA 3.33Å; A834-L837 PolarHBondContact O-N 3.44Å; A834-M867 HydrophobicContact CB-CG 4.26Å; A834-M867 HydrophobicContact CB-SD 4.01Å; A834-I868 VanDerWaalsContact CB-O 3.29Å; A834-I868 WeakPolarHBondContact CB-O 3.31Å; A834-I868 PolarHBondContact N-O 2.79Å; A834-D901 WeakPolarHBondContact CA-OD2 3.49Å; A834-V902 HydrophobicContact CB-CG2 3.58Å
835K85.2Confident86.6Confident151 Ų15143.9 Ų43.966%0.65724%0.242SC*.G310 helixtrans-55.1-32.7-171.8-78165.1-177.6174.20114.9L837 S838 D901K835-L837 VanDerWaalsContact C-N 3.28Å; K835-L837 PolarHBondContact O-N 2.91Å; K835-S838 WeakPolarHBondContact O-CB 3.22Å; K835-S838 PolarHBondContact O-N 3.07Å; K835-S838 PolarHBondContact O-OG 2.91Å; K835-D901 VanDerWaalsContact CG-OD2 3.29Å; K835-D901 WeakPolarHBondContact CG-OD2 3.3Å; K835-D901 PolarHBondContact N-OD2 3.16Å
836H84.7Confident87.2Confident55 Ų5546.5 Ų46.526%0.25525%0.254SS..G310 helixtrans-73.2-20178.371-58.6000113.5A834 E870 Y899A834-H836 VanDerWaalsContact C-N 3.25Å; A834-H836 WeakPolarHBondContact CB-ND1 3.48Å; A834-H836 PolarHBondContact O-N 3.38Å; A834-H836 VanDerWaalsContact O-N 3.1Å; H836-E870 PolarHBondContact NE2-O 3.34Å; H836-Y899 HydrophobicContact CB-CD1 4.16Å; H836-Y899 HydrophobicContact CB-CE1 3.72Å; H836-Y899 HydrophobicContact CB-CE2 4.21Å; H836-Y899 AromaticContact CD2-CE2 3.64Å; H836-Y899 AromaticContact CD2-CZ 3.89Å; H836-Y899 AromaticContact CE1-CD2 3.97Å; H836-Y899 AromaticContact CG-CE2 3.75Å; H836-Y899 AromaticContact CG-CZ 3.82Å; H836-Y899 AromaticContact ND1-CD2 3.92Å; H836-Y899 AromaticContact NE2-CE2 3.88Å
837L86Confident87.4Confident14 Ų1447.2 Ų47.27%0.07326%0.258CS..G310 helixtrans-9612172-67.7177.7000113.1V833 A834 K835 S839 R840 Q841 I868 E870 P915V833-L837 HydrophobicContact CG1-CB 3.52Å; A834-L837 WeakPolarHBondContact O-CA 3.33Å; A834-L837 PolarHBondContact O-N 3.44Å; K835-L837 VanDerWaalsContact C-N 3.28Å; K835-L837 PolarHBondContact O-N 2.91Å; L837-S839 PolarHBondContact O-N 3.37Å; L837-S839 VanDerWaalsContact O-N 3.14Å; L837-R840 CarbonylContact O-C 3.58Å; L837-R840 PolarHBondContact O-N 2.93Å; L837-Q841 PolarHBondContact O-N 3.19Å; L837-I868 HydrophobicContact CD1-CG2 3.96Å; L837-E870 HydrophobicContact CD1-CB 4.06Å; L837-E870 HydrophobicContact CD2-CB 4.31Å; L837-P915 HydrophobicContact CD1-CG 3.92Å
838S82.9Confident88Confident69 Ų6941.1 Ų41.148%0.48324%0.235SC..G310 helixtrans-53.9-33.1-18049.70000113.9K835 R840 Q841K835-S838 WeakPolarHBondContact O-CB 3.22Å; K835-S838 PolarHBondContact O-N 3.07Å; K835-S838 PolarHBondContact O-OG 2.91Å; S838-R840 PolarHBondContact O-N 3.18Å; S838-Q841 VanDerWaalsContact O-CB 3.26Å; S838-Q841 WeakPolarHBondContact O-CB 3.23Å; S838-Q841 PolarHBondContact O-N 3.37Å; S838-Q841 VanDerWaalsContact O-N 3.1Å
839S83.1Confident88.1Confident110 Ų11044.1 Ų44.177%0.76923%0.229SC*.G310 helixtrans-61.6-26174.256.20000114.3L837L837-S839 PolarHBondContact O-N 3.37Å; L837-S839 VanDerWaalsContact O-N 3.14Å
840R86.2Confident87.9Confident78 Ų7851.1 Ų51.129%0.29426%0.259SS..G310 helixtrans-104.13.9175.6-63.9-175.766.7-161-0.2113L837 S838 V842 E843 L844L837-R840 CarbonylContact O-C 3.58Å; L837-R840 PolarHBondContact O-N 2.93Å; S838-R840 PolarHBondContact O-N 3.18Å; R840-V842 VanDerWaalsContact C-N 3.29Å; R840-V842 PolarHBondContact O-N 2.91Å; R840-E843 IonicContact CZ-OE1 2.63Å; R840-E843 IonicContact CZ-OE2 3.19Å; R840-E843 IonicContact NE-OE1 3.26Å; R840-E843 IonicContact NE-OE2 2.65Å; R840-E843 PolarHBondContact NE-OE2 2.7Å; R840-E843 IonicContact NH2-OE1 2.74Å; R840-E843 PolarHBondContact NH2-OE1 2.92Å; R840-E843 IonicContact NH2-OE2 2.71Å; R840-E843 PolarHBondContact NH2-OE2 2.93Å; R840-E843 WeakPolarHBondContact O-CB 3.44Å; R840-E843 PolarHBondContact O-N 2.98Å; R840-E843 VanDerWaalsContact O-N 3.17Å; R840-L844 HydrophobicContact CB-CD1 4.18Å; R840-L844 HydrophobicContact CB-CG 4.41Å; R840-L844 WeakPolarHBondContact O-CG 3.49Å; R840-L844 PolarHBondContact O-N 3.41Å
841Q89.4Confident87.6Confident26 Ų2650.9 Ų50.912%0.12126%0.257CS..Hα-helixtrans-60.9-37.3-172.7-174.316829.300112.6V833 L837 S838 N845 W857V833-Q841 HydrophobicContact CB-CB 4.24Å; V833-Q841 HydrophobicContact CB-CG 3.86Å; V833-Q841 HydrophobicContact CG1-CB 4.27Å; V833-Q841 HydrophobicContact CG1-CG 4.43Å; V833-Q841 HydrophobicContact CG2-CB 4.44Å; V833-Q841 HydrophobicContact CG2-CG 3.98Å; L837-Q841 PolarHBondContact O-N 3.19Å; S838-Q841 VanDerWaalsContact O-CB 3.26Å; S838-Q841 WeakPolarHBondContact O-CB 3.23Å; S838-Q841 PolarHBondContact O-N 3.37Å; S838-Q841 VanDerWaalsContact O-N 3.1Å; Q841-N845 WeakPolarHBondContact O-CB 3.29Å; Q841-N845 PolarHBondContact O-N 3.25Å; Q841-N845 PolarHBondContact O-ND2 2.85Å; Q841-N845 PolarHBondContact O-OD1 3.48Å; Q841-W857 HydrophobicContact CB-CZ3 4.47Å; Q841-W857 HydrophobicContact CG-CE3 3.85Å; Q841-W857 HydrophobicContact CG-CZ3 3.77Å; Q841-W857 PolarHBondContact NE2-O 3.28Å
842V84.9Confident87.2Confident88 Ų8852.2 Ų52.253%0.53327%0.271SS..Hα-helixtrans-65.5-47.4175.8-174.20000111.7R840 L844 N845 D846 W857R840-V842 VanDerWaalsContact C-N 3.29Å; R840-V842 PolarHBondContact O-N 2.91Å; V842-L844 PolarHBondContact O-N 3.13Å; V842-N845 PolarHBondContact O-N 3.46Å; V842-D846 PolarHBondContact O-N 3.45Å; V842-W857 HydrophobicContact CG2-CH2 4.27Å; V842-W857 HydrophobicContact CG2-CZ3 4.38Å
843E90.3Very high86.9Confident87 Ų8752.6 Ų52.641%0.40728%0.275SS..Hα-helixtrans-55.3-49.3177.8-178.7-154152.500111.5R840 D846 I847R840-E843 IonicContact CZ-OE1 2.63Å; R840-E843 IonicContact CZ-OE2 3.19Å; R840-E843 IonicContact NE-OE1 3.26Å; R840-E843 IonicContact NE-OE2 2.65Å; R840-E843 PolarHBondContact NE-OE2 2.7Å; R840-E843 IonicContact NH2-OE1 2.74Å; R840-E843 PolarHBondContact NH2-OE1 2.92Å; R840-E843 IonicContact NH2-OE2 2.71Å; R840-E843 PolarHBondContact NH2-OE2 2.93Å; R840-E843 WeakPolarHBondContact O-CB 3.44Å; R840-E843 PolarHBondContact O-N 2.98Å; R840-E843 VanDerWaalsContact O-N 3.17Å; E843-D846 PolarHBondContact O-N 3.25Å; E843-I847 WeakPolarHBondContact O-CG1 3.35Å; E843-I847 PolarHBondContact O-N 3.42Å
844L90.8Very high86.7Confident0 Ų056.3 Ų56.30%030%0.295CS..Hα-helixtrans-69.4-42.6-178.4-61.8170000111.3V833 R840 V842 D846 I847 V848 I868 P915 L918V833-L844 HydrophobicContact CG1-CD1 3.99Å; V833-L844 HydrophobicContact CG2-CB 4.1Å; V833-L844 HydrophobicContact CG2-CD1 4.01Å; R840-L844 HydrophobicContact CB-CD1 4.18Å; R840-L844 HydrophobicContact CB-CG 4.41Å; R840-L844 WeakPolarHBondContact O-CG 3.49Å; R840-L844 PolarHBondContact O-N 3.41Å; V842-L844 PolarHBondContact O-N 3.13Å; L844-D846 VanDerWaalsContact C-N 3.31Å; L844-D846 PolarHBondContact O-N 3.37Å; L844-I847 PolarHBondContact O-N 3.2Å; L844-I847 VanDerWaalsContact O-N 3.13Å; L844-V848 WeakPolarHBondContact O-CG2 3.34Å; L844-V848 PolarHBondContact O-N 3.02Å; L844-I868 HydrophobicContact CB-CD1 4.39Å; L844-I868 HydrophobicContact CD1-CD1 4.45Å; L844-I868 HydrophobicContact CD1-CG2 4.07Å; L844-P915 HydrophobicContact CD2-CB 4.1Å; L844-L918 HydrophobicContact CB-CD1 4.15Å; L844-L918 HydrophobicContact CD2-CD1 4.13Å
845N89.7Confident86.7Confident1 Ų157.3 Ų57.31%0.00530%0.299CS..Hα-helixtrans-61.1-36.6176.9-78.7-2.7000112.8Q841 V842 V848 K849 F855 W857Q841-N845 WeakPolarHBondContact O-CB 3.29Å; Q841-N845 PolarHBondContact O-N 3.25Å; Q841-N845 PolarHBondContact O-ND2 2.85Å; Q841-N845 PolarHBondContact O-OD1 3.48Å; V842-N845 PolarHBondContact O-N 3.46Å; N845-V848 PolarHBondContact O-N 3.17Å; N845-K849 PolarHBondContact O-N 2.61Å; N845-K849 VanDerWaalsContact O-N 3.1Å; N845-F855 HydrophobicContact CB-CD1 3.64Å; N845-F855 HydrophobicContact CB-CD2 4.22Å; N845-F855 HydrophobicContact CB-CE1 3.47Å; N845-F855 VanDerWaalsContact CB-CE1 3.47Å; N845-F855 HydrophobicContact CB-CE2 4.11Å; N845-F855 HydrophobicContact CB-CG 4.02Å; N845-F855 HydrophobicContact CB-CZ 3.74Å; N845-F855 VanDerWaalsContact ND2-CD2 3.35Å; N845-F855 WeakPolarHBondContact ND2-CD2 3.47Å; N845-F855 VanDerWaalsContact ND2-CE2 3.35Å; N845-F855 WeakPolarHBondContact ND2-CE2 3.48Å; N845-F855 WeakPolarHBondContact O-CE1 3.36Å; N845-W857 WeakPolarHBondContact ND2-CH2 3.16Å; N845-W857 VanDerWaalsContact ND2-CZ3 3.32Å; N845-W857 WeakPolarHBondContact ND2-CZ3 3.35Å
846D87Confident86.9Confident76 Ų7653.6 Ų53.641%0.40628%0.283SS..Hα-helixtrans-71.2-30.8174.9-80.1-11.2000112.7V842 E843 L844 K850V842-D846 PolarHBondContact O-N 3.45Å; E843-D846 PolarHBondContact O-N 3.25Å; L844-D846 VanDerWaalsContact C-N 3.31Å; L844-D846 PolarHBondContact O-N 3.37Å; D846-K850 WeakPolarHBondContact O-CD 3.19Å; D846-K850 VanDerWaalsContact O-CG 3.25Å; D846-K850 WeakPolarHBondContact O-CG 3.41Å; D846-K850 PolarHBondContact O-N 2.97Å
847I88.6Confident86.9Confident15 Ų1558 Ų588%0.07730%0.298CS..Hα-helixtrans-69.2-45.8170.5-62.4163.8000109.8E843 L844 K849 K850 L851 L918 T919 M922E843-I847 WeakPolarHBondContact O-CG1 3.35Å; E843-I847 PolarHBondContact O-N 3.42Å; L844-I847 PolarHBondContact O-N 3.2Å; L844-I847 VanDerWaalsContact O-N 3.13Å; I847-K849 VanDerWaalsContact C-N 3.33Å; I847-K849 PolarHBondContact O-N 3.09Å; I847-K850 PolarHBondContact O-N 3.02Å; I847-K850 VanDerWaalsContact O-N 3.1Å; I847-L851 HydrophobicContact CG2-CD1 3.93Å; I847-L851 HydrophobicContact CG2-CG 4.33Å; I847-L851 WeakPolarHBondContact O-CG 3.37Å; I847-L851 PolarHBondContact O-N 3.47Å; I847-L851 VanDerWaalsContact O-N 3.17Å; I847-L918 HydrophobicContact CB-CD1 4.34Å; I847-L918 HydrophobicContact CG2-CB 3.92Å; I847-L918 HydrophobicContact CG2-CD1 4.36Å; I847-T919 HydrophobicContact CD1-CG2 4.39Å; I847-M922 HydrophobicContact CG2-CB 4.48Å; I847-M922 HydrophobicContact CG2-SD 4.06Å
848V89.9Confident86.8Confident0 Ų062.5 Ų62.50%033%0.326CS..Hα-helixtrans-53.3-48.5177.7171.30000111.8I831 L844 N845 K850 L851 G852 G853 D854 F855 L918I831-V848 HydrophobicContact CB-CG2 4.26Å; I831-V848 HydrophobicContact CD1-CG2 3.61Å; I831-V848 HydrophobicContact CG1-CG1 4.3Å; I831-V848 HydrophobicContact CG1-CG2 4.06Å; L844-V848 WeakPolarHBondContact O-CG2 3.34Å; L844-V848 PolarHBondContact O-N 3.02Å; N845-V848 PolarHBondContact O-N 3.17Å; V848-K850 PolarHBondContact O-N 3.04Å; V848-L851 PolarHBondContact O-N 2.86Å; V848-G852 PolarHBondContact O-N 2.67Å; V848-G853 VanDerWaalsContact CG1-C 3.43Å; V848-G853 WeakPolarHBondContact CG1-O 3.18Å; V848-G853 PolarHBondContact O-N 3.02Å; V848-D854 WeakPolarHBondContact CG1-O 3.03Å; V848-F855 HydrophobicContact CG1-CB 4.39Å; V848-F855 HydrophobicContact CG1-CD1 4.47Å; V848-L918 HydrophobicContact CG2-CD1 3.64Å; V848-L918 HydrophobicContact CG2-CD2 3.81Å; V848-L918 HydrophobicContact CG2-CG 4.4Å
849K85.5Confident87Confident129 Ų12961.3 Ų61.356%0.56131%0.311SS*.Hα-helixtrans-59.5-44.5175.8-83.8178.8170.71750113.4N845 I847 L851 G852 F855N845-K849 PolarHBondContact O-N 2.61Å; N845-K849 VanDerWaalsContact O-N 3.1Å; I847-K849 VanDerWaalsContact C-N 3.33Å; I847-K849 PolarHBondContact O-N 3.09Å; K849-L851 PolarHBondContact O-N 3.33Å; K849-G852 PolarHBondContact O-N 3.23Å; K849-G852 VanDerWaalsContact O-N 3.09Å; K849-F855 HydrophobicContact CD-CE1 3.75Å; K849-F855 HydrophobicContact CD-CZ 4.5Å; K849-F855 VanDerWaalsContact CE-CE1 3.41Å; K849-F855 HydrophobicContact CG-CD1 4.25Å; K849-F855 HydrophobicContact CG-CE1 3.83Å
850K84.3Confident87.2Confident149 Ų14958.6 Ų58.665%0.64829%0.288SS*.Hα-helixtrans-62.3-23178.6-73.5165.7-172.3166.30113.3D846 I847 V848D846-K850 WeakPolarHBondContact O-CD 3.19Å; D846-K850 VanDerWaalsContact O-CG 3.25Å; D846-K850 WeakPolarHBondContact O-CG 3.41Å; D846-K850 PolarHBondContact O-N 2.97Å; I847-K850 PolarHBondContact O-N 3.02Å; I847-K850 VanDerWaalsContact O-N 3.1Å; V848-K850 PolarHBondContact O-N 3.04Å
851L85Confident87.2Confident13 Ų1357.9 Ų57.97%0.06829%0.294CS..THydrogen-bonded Turntrans-95.82.6178.8-59.4-178.4000113.4L824 C825 L826 I847 V848 K849 G853 L918 C921 M922L824-L851 CarbonylContact C-O 3.55Å; C825-L851 PolarHBondContact N-O 3.07Å; L826-L851 HydrophobicContact CB-CB 4.07Å; L826-L851 HydrophobicContact CD1-CB 3.78Å; L826-L851 HydrophobicContact CD1-CD1 3.68Å; L826-L851 HydrophobicContact CD1-CG 4.38Å; L826-L851 HydrophobicContact CG-CB 3.78Å; L826-L851 HydrophobicContact CG-CD1 4.16Å; L826-L851 PolarHBondContact N-O 2.8Å; I847-L851 HydrophobicContact CG2-CD1 3.93Å; I847-L851 HydrophobicContact CG2-CG 4.33Å; I847-L851 WeakPolarHBondContact O-CG 3.37Å; I847-L851 PolarHBondContact O-N 3.47Å; I847-L851 VanDerWaalsContact O-N 3.17Å; V848-L851 PolarHBondContact O-N 2.86Å; K849-L851 PolarHBondContact O-N 3.33Å; L851-G853 VanDerWaalsContact C-N 3.34Å; L851-L918 HydrophobicContact CD1-CD2 4.42Å; L851-C921 HydrophobicContact CD1-CB 4.1Å; L851-M922 HydrophobicContact CD1-CB 4.2Å; L851-M922 HydrophobicContact CD2-CB 3.83Å; L851-M922 HydrophobicContact CD2-CG 4.08Å; L851-M922 HydrophobicContact CG-CB 4.5Å
852G82.9Confident87Confident29 Ų2965 Ų6530%0.29933%0.327SS..THydrogen-bonded Turntrans75.818.3-177.400000114.8L826 R827 V848 K849L826-G852 CarbonylContact C-O 3.59Å; R827-G852 WeakPolarHBondContact CA-O 3.44Å; V848-G852 PolarHBondContact O-N 2.67Å; K849-G852 PolarHBondContact O-N 3.23Å; K849-G852 VanDerWaalsContact O-N 3.09Å
853G86.8Confident87.1Confident9 Ų963.6 Ų63.69%0.09332%0.318CS..  trans-90.9163.2168.200000112.1L826 V848 L851L826-G853 WeakPolarHBondContact O-CA 3.49Å; V848-G853 VanDerWaalsContact CG1-C 3.43Å; V848-G853 WeakPolarHBondContact CG1-O 3.18Å; V848-G853 PolarHBondContact O-N 3.02Å; L851-G853 VanDerWaalsContact C-N 3.34Å
854D86.5Confident87.1Confident83 Ų8359.4 Ų59.444%0.44430%0.299SS..EExtended strand (participates in β ladder)trans-110.9166.3176-164.17.2000110.6V829 V830 I831 V848V829-D854 PolarHBondContact O-N 2.63Å; V830-D854 CarbonylContact C-O 3.6Å; V830-D854 VanDerWaalsContact CA-O 3.29Å; V830-D854 WeakPolarHBondContact CA-O 3.44Å; V830-D854 HydrophobicContact CG2-CB 4.36Å; I831-D854 PolarHBondContact N-O 2.67Å; V848-D854 WeakPolarHBondContact CG1-O 3.03Å
855F91.5Very high87.1Confident22 Ų2261.8 Ų61.810%0.09631%0.313CS..EExtended strand (participates in β ladder)trans-144.6162.1-178.966.5-108.8000114.8I831 N845 V848 K849 W857I831-F855 CarbonylContact O-C 3.58Å; I831-F855 WeakPolarHBondContact O-CA 3.4Å; I831-F855 WeakPolarHBondContact O-CB 3.31Å; N845-F855 HydrophobicContact CB-CD1 3.64Å; N845-F855 HydrophobicContact CB-CD2 4.22Å; N845-F855 HydrophobicContact CB-CE1 3.47Å; N845-F855 VanDerWaalsContact CB-CE1 3.47Å; N845-F855 HydrophobicContact CB-CE2 4.11Å; N845-F855 HydrophobicContact CB-CG 4.02Å; N845-F855 HydrophobicContact CB-CZ 3.74Å; N845-F855 VanDerWaalsContact ND2-CD2 3.35Å; N845-F855 WeakPolarHBondContact ND2-CD2 3.47Å; N845-F855 VanDerWaalsContact ND2-CE2 3.35Å; N845-F855 WeakPolarHBondContact ND2-CE2 3.48Å; N845-F855 WeakPolarHBondContact O-CE1 3.36Å; V848-F855 HydrophobicContact CG1-CB 4.39Å; V848-F855 HydrophobicContact CG1-CD1 4.47Å; K849-F855 HydrophobicContact CD-CE1 3.75Å; K849-F855 HydrophobicContact CD-CZ 4.5Å; K849-F855 VanDerWaalsContact CE-CE1 3.41Å; K849-F855 HydrophobicContact CG-CD1 4.25Å; K849-F855 HydrophobicContact CG-CE1 3.83Å; F855-W857 HydrophobicContact CE2-CD2 4.36Å; F855-W857 AromaticContact CE2-CE2 3.68Å; F855-W857 HydrophobicContact CE2-CH2 4.47Å; F855-W857 AromaticContact CE2-CZ2 3.74Å; F855-W857 HydrophobicContact CE2-CZ2 3.74Å; F855-W857 AromaticContact CE2-NE1 3.78Å; F855-W857 HydrophobicContact CZ-CZ2 4.14Å
856K88.5Confident87.3Confident73 Ų7361.8 Ų61.832%0.31731%0.313SS..EExtended strand (participates in β ladder)trans-126.3139.4169.1-58.7-62.2174.6-148.80110.5V830 I831 T858V830-K856 HydrophobicContact CG1-CG 4.16Å; I831-K856 PolarHBondContact O-N 2.98Å; K856-T858 VanDerWaalsContact C-N 3.3Å; K856-T858 WeakPolarHBondContact CB-O 3.42Å
857W85.1Confident87.5Confident146 Ų14658.2 Ų58.255%0.55329%0.294SS*.SBendtrans-69.9-29175.4-64.8106.7000112.8Q841 V842 N845 F855Q841-W857 HydrophobicContact CB-CZ3 4.47Å; Q841-W857 HydrophobicContact CG-CE3 3.85Å; Q841-W857 HydrophobicContact CG-CZ3 3.77Å; Q841-W857 PolarHBondContact NE2-O 3.28Å; V842-W857 HydrophobicContact CG2-CH2 4.27Å; V842-W857 HydrophobicContact CG2-CZ3 4.38Å; N845-W857 WeakPolarHBondContact ND2-CH2 3.16Å; N845-W857 VanDerWaalsContact ND2-CZ3 3.32Å; N845-W857 WeakPolarHBondContact ND2-CZ3 3.35Å; F855-W857 HydrophobicContact CE2-CD2 4.36Å; F855-W857 AromaticContact CE2-CE2 3.68Å; F855-W857 HydrophobicContact CE2-CH2 4.47Å; F855-W857 AromaticContact CE2-CZ2 3.74Å; F855-W857 HydrophobicContact CE2-CZ2 3.74Å; F855-W857 AromaticContact CE2-NE1 3.78Å; F855-W857 HydrophobicContact CZ-CZ2 4.14Å
858T84.4Confident87.7Confident109 Ų10957.5 Ų57.567%0.66929%0.29SS*.SBendtrans-125.5141.2177.552.50000109.6K856 N860K856-T858 VanDerWaalsContact C-N 3.3Å; K856-T858 WeakPolarHBondContact CB-O 3.42Å; T858-N860 PolarHBondContact O-N 3.3Å
859Y87.8Confident87.7Confident44 Ų4457.5 Ų57.517%0.17329%0.29CS..  trans-62.5129.4179.2179-111.3000111.6C832 P861 C864 M867 A904 A905 D908 K910C832-Y859 HydrophobicContact CB-CD2 4.19Å; C832-Y859 VanDerWaalsContact SG-CA 3.59Å; C832-Y859 PolarHBondContact SG-N 2.93Å; Y859-P861 HydrophobicContact CE1-CB 4.29Å; Y859-C864 HydrophobicContact CD2-CB 3.94Å; Y859-C864 HydrophobicContact CE2-CB 3.82Å; Y859-M867 HydrophobicContact CD1-CE 4.49Å; Y859-M867 HydrophobicContact CD2-CE 3.51Å; Y859-M867 HydrophobicContact CE2-CE 4.29Å; Y859-M867 HydrophobicContact CG-CE 3.65Å; Y859-A904 HydrophobicContact CD1-CB 4.38Å; Y859-A904 HydrophobicContact CE1-CB 4.08Å; Y859-A905 HydrophobicContact CD2-CB 4.46Å; Y859-A905 HydrophobicContact CE2-CB 3.95Å; Y859-D908 VanDerWaalsContact CE1-OD2 3.24Å; Y859-D908 WeakPolarHBondContact CE1-OD2 3.31Å; Y859-D908 VanDerWaalsContact OH-CB 3.24Å; Y859-D908 WeakPolarHBondContact OH-CB 3.34Å; Y859-D908 PolarHBondContact OH-OD2 2.95Å; Y859-K910 HydrophobicContact CE2-CG 4.16Å; Y859-K910 WeakPolarHBondContact OH-CG 3.4Å
860N87.2Confident87.6Confident54 Ų5455 Ų5529%0.28928%0.281SS..  trans-130.9119.8172.9177.4-25.4000108.7T858 E862 V863 C864T858-N860 PolarHBondContact O-N 3.3Å; N860-E862 VanDerWaalsContact C-N 3.28Å; N860-E862 PolarHBondContact O-N 2.76Å; N860-E862 WeakPolarHBondContact OD1-CB 3.39Å; N860-E862 PolarHBondContact OD1-N 2.96Å; N860-V863 PolarHBondContact O-N 3.01Å; N860-C864 VanDerWaalsContact O-CB 3.28Å; N860-C864 WeakPolarHBondContact O-CB 3.42Å; N860-C864 PolarHBondContact O-N 3.47Å
861P85.1Confident86.9Confident63 Ų6348.9 Ų48.941%0.40926%0.256SS..THydrogen-bonded Turntrans-67.2-22.8-175.629-36.8000114.2Y859 D908 K910Y859-P861 HydrophobicContact CE1-CB 4.29Å; P861-D908 HydrophobicContact CB-CB 4.46Å; P861-D908 WeakPolarHBondContact CB-OD2 3.39Å; P861-K910 WeakPolarHBondContact O-CE 3.49Å; P861-K910 PolarHBondContact O-NZ 3.35Å
862E84.9Confident85.6Confident174 Ų17451 Ų5181%0.81327%0.272SS*.THydrogen-bonded Turntrans-78.2-28.3179.2-59.1-177.9152.500112.3N860N860-E862 VanDerWaalsContact C-N 3.28Å; N860-E862 PolarHBondContact O-N 2.76Å; N860-E862 WeakPolarHBondContact OD1-CB 3.39Å; N860-E862 PolarHBondContact OD1-N 2.96Å
863V86.6Confident84.1Confident59 Ų5954.1 Ų54.136%0.35829%0.287SS..THydrogen-bonded Turntrans-118-34-167.4-163.60000113.2V830 N860V830-V863 VanDerWaalsContact CB-O 3.24Å; V830-V863 WeakPolarHBondContact CB-O 3.47Å; V830-V863 HydrophobicContact CG1-CG1 4.38Å; V830-V863 WeakPolarHBondContact CG1-O 3.43Å; N860-V863 PolarHBondContact O-N 3.01Å
864C90.9Very high82.3Confident0 Ų060.2 Ų60.20%032%0.317CS..  trans-73137.5176.6-64.10000110.8Y859 N860 K910Y859-C864 HydrophobicContact CD2-CB 3.94Å; Y859-C864 HydrophobicContact CE2-CB 3.82Å; N860-C864 VanDerWaalsContact O-CB 3.28Å; N860-C864 WeakPolarHBondContact O-CB 3.42Å; N860-C864 PolarHBondContact O-N 3.47Å; C864-K910 WeakPolarHBondContact O-CD 3.21Å; C864-K910 VanDerWaalsContact O-CE 3.29Å; C864-K910 WeakPolarHBondContact O-CE 3.29Å; C864-K910 PolarHBondContact O-NZ 2.71Å
865T91.6Very high80.3Confident49 Ų4959.9 Ų59.930%0.30132%0.315SS..  trans-109.5-27.2173.161.80000112.5V830 Y911V830-T865 PolarHBondContact N-OG1 3.21Å; V830-T865 PolarHBondContact O-N 3.45Å; V830-T865 PolarHBondContact O-OG1 3Å; T865-Y911 PolarHBondContact O-N 3.06Å; T865-Y911 VanDerWaalsContact O-N 3.17Å
866H92.6Very high77.7Confident2 Ų264.2 Ų64.21%0.00934%0.344CS..EExtended strand (participates in β ladder)trans-129.9151.7179.3-58.452.1000110.8V830 I831 C832 Y911 W917 R927 E930V830-H866 PolarHBondContact O-N 2.7Å; V830-H866 VanDerWaalsContact O-N 3.1Å; I831-H866 WeakPolarHBondContact CA-O 3.45Å; I831-H866 HydrophobicContact CD1-CB 4.5Å; I831-H866 HydrophobicContact CG1-CB 4.26Å; C832-H866 PolarHBondContact N-O 2.66Å; H866-Y911 CarbonylContact C-O 3.56Å; H866-Y911 VanDerWaalsContact CA-O 3.3Å; H866-Y911 WeakPolarHBondContact CA-O 3.49Å; H866-Y911 AromaticContact CE1-CD2 3.83Å; H866-Y911 AromaticContact NE2-CD2 3.95Å; H866-W917 AromaticContact CD2-CH2 3.62Å; H866-W917 AromaticContact NE2-CH2 3.76Å; H866-R927 PolarHBondContact CE1-NH2 2.96Å; H866-R927 VanDerWaalsContact CE1-NH2 3.25Å; H866-R927 PolarHBondContact NE2-NH2 2.96Å; H866-R927 VanDerWaalsContact NE2-NH2 3.12Å; H866-E930 IonicContact NE2-OE1 2.72Å; H866-E930 PolarHBondContact NE2-OE1 2.65Å
867M91.9Very high75.2Confident0 Ų068.8 Ų68.80%037%0.371CS..EExtended strand (participates in β ladder)trans-126.4127.5165.9-179.6174.4-75.700111C832 A834 Y859 D901 V902 A905 Y911 L912 V913C832-M867 HydrophobicContact CB-CE 4.22Å; C832-M867 CarbonylContact O-C 3.53Å; C832-M867 VanDerWaalsContact O-CA 3.25Å; C832-M867 WeakPolarHBondContact O-CA 3.39Å; A834-M867 HydrophobicContact CB-CG 4.26Å; A834-M867 HydrophobicContact CB-SD 4.01Å; Y859-M867 HydrophobicContact CD1-CE 4.49Å; Y859-M867 HydrophobicContact CD2-CE 3.51Å; Y859-M867 HydrophobicContact CE2-CE 4.29Å; Y859-M867 HydrophobicContact CG-CE 3.65Å; M867-D901 HydrophobicContact CE-CB 4.13Å; M867-D901 WeakPolarHBondContact CE-O 3.38Å; M867-V902 HydrophobicContact SD-CB 4.31Å; M867-V902 HydrophobicContact SD-CG2 3.9Å; M867-A905 HydrophobicContact CB-CB 3.91Å; M867-A905 HydrophobicContact CE-CB 3.78Å; M867-A905 HydrophobicContact CG-CB 4.45Å; M867-A905 HydrophobicContact SD-CB 3.74Å; M867-Y911 PolarHBondContact N-O 2.63Å; M867-L912 HydrophobicContact CB-CD2 3.94Å; M867-L912 WeakPolarHBondContact O-CA 3.33Å; M867-V913 PolarHBondContact O-N 3.25Å; M867-V913 VanDerWaalsContact O-N 3.09Å
868I92.1Very high72.9Confident0 Ų067.1 Ų67.10%038%0.379CS..EExtended strand (participates in β ladder)trans-83.4122.1172.7-63.4171.2000109.3I831 C832 A834 L837 L844 V913 P915 L918I831-I868 HydrophobicContact CD1-CD1 4.36Å; I831-I868 HydrophobicContact CG2-CD1 3.7Å; I831-I868 HydrophobicContact CG2-CG1 3.73Å; C832-I868 PolarHBondContact O-N 2.97Å; A834-I868 VanDerWaalsContact CB-O 3.29Å; A834-I868 WeakPolarHBondContact CB-O 3.31Å; A834-I868 PolarHBondContact N-O 2.79Å; L837-I868 HydrophobicContact CD1-CG2 3.96Å; L844-I868 HydrophobicContact CB-CD1 4.39Å; L844-I868 HydrophobicContact CD1-CD1 4.45Å; L844-I868 HydrophobicContact CD1-CG2 4.07Å; I868-V913 VanDerWaalsContact CA-O 3.29Å; I868-V913 WeakPolarHBondContact CA-O 3.26Å; I868-V913 HydrophobicContact CG1-CG2 4.08Å; I868-P915 HydrophobicContact CG2-CB 4.3Å; I868-P915 HydrophobicContact CG2-CG 3.75Å; I868-L918 HydrophobicContact CD1-CD1 3.38Å; I868-L918 HydrophobicContact CD1-CG 3.83Å
869S90.3Very high70.5Confident0 Ų068 Ų680%039%0.387CS..  trans-146.1145.7177.255.60000110.8V913 N914 P935S869-V913 PolarHBondContact N-O 3.17Å; S869-N914 WeakPolarHBondContact O-CA 3.48Å; S869-P935 WeakPolarHBondContact O-CA 3.28Å; S869-P935 VanDerWaalsContact O-CB 3.31Å; S869-P935 WeakPolarHBondContact O-CB 3.43Å; S869-P935 WeakPolarHBondContact OG-CB 3.39Å
870E84.2Confident67.8Low77 Ų7771.4 Ų71.436%0.3642%0.417SS..  trans-127.8114.1179.2-173.1159.7-143.100107.4H836 L837 P915H836-E870 PolarHBondContact NE2-O 3.34Å; L837-E870 HydrophobicContact CD1-CB 4.06Å; L837-E870 HydrophobicContact CD2-CB 4.31Å; E870-P915 HydrophobicContact CB-CG 4.34Å
871T69Low65.2Low21 Ų2175.4 Ų75.413%0.12944%0.444CS..BIsolated β-bridgetrans-114.2119.2-174.649.50000109.7P935 T936T871-P935 PolarHBondContact N-O 3.35Å; T871-P935 VanDerWaalsContact OG1-C 3.25Å; T871-P935 PolarHBondContact OG1-O 3.32Å; T871-P935 VanDerWaalsContact OG1-O 3.04Å; T871-T936 WeakPolarHBondContact OG1-CA 3.24Å; T871-T936 VanDerWaalsContact OG1-CG2 3.3Å; T871-T936 WeakPolarHBondContact OG1-CG2 3.48Å; T871-T936 PolarHBondContact OG1-N 3.34Å
872S57.1Low62.9Low56 Ų5678 Ų7839%0.39246%0.46SS..  trans-76.8143.8177.1-172.90000110.5D874 D875S872-D874 PolarHBondContact O-N 3.04Å; S872-D874 PolarHBondContact OG-N 3.03Å; S872-D875 WeakPolarHBondContact CB-OD2 3.4Å; S872-D875 PolarHBondContact N-OD2 3.25Å; S872-D875 PolarHBondContact O-N 3.4Å
873P51.1Low60.3Low96 Ų9675.1 Ų75.162%0.62346%0.46SS*.THydrogen-bonded Turntrans-63.8-19.9168.227.8-35000113.1
874D49.9Very low57.7Low137 Ų13777.8 Ų77.873%0.73348%0.476SS*.THydrogen-bonded Turntrans-83.4-3.7-179-69.4-38.3000114.3S872 T876S872-D874 PolarHBondContact O-N 3.04Å; S872-D874 PolarHBondContact OG-N 3.03Å; D874-T876 PolarHBondContact O-N 3.5Å
875D43.8Very low55.2Low75 Ų7585.1 Ų85.140%0.40151%0.513SS..  trans-74.633.3177.5-70-43.2000113.1S872 V898S872-D875 WeakPolarHBondContact CB-OD2 3.4Å; S872-D875 PolarHBondContact N-OD2 3.25Å; S872-D875 PolarHBondContact O-N 3.4Å; D875-V898 HydrophobicContact CB-CG2 4.39Å
876T37.4Very low52.6Low114 Ų11487.6 Ų87.670%0.69953%0.53SS*.  trans-107121.1174.951.60000110.9D874D874-T876 PolarHBondContact O-N 3.5Å
877L37.1Very low49.8Very low168 Ų16893.3 Ų93.388%0.8857%0.565SS**PPolyproline II helixtrans-63.2135.9-178.1-75.8165.4000111.9
878P35.6Very low47.1Very low111 Ų11199.2 Ų99.272%0.72160%0.602SS**PPolyproline II helixtrans-67.7142.2173.828.6-34.3000111S880P878-S880 PolarHBondContact O-N 2.9Å
879P34.2Very low44.3Very low128 Ų128104.9 Ų104.983%0.83164%0.638SS**PPolyproline II helixtrans-75.2123.3-172.629-34.9000112.6
880S31.4Very low41.6Very low116 Ų116110.2 Ų110.281%0.81168%0.675SS**PPolyproline II helixtrans-73.2130.4168.553.70000111.3P878P878-S880 PolarHBondContact O-N 2.9Å
881T32.5Very low39.2Very low138 Ų138112.9 Ų112.985%0.84770%0.697SS**PPolyproline II helixtrans-74152.5177.831.80000113
882P36.1Very low37.4Very low116 Ų116117.8 Ų117.875%0.75373%0.731SS**  trans-109.3150.1-145.338.5-33.9000116.7
883S30.5Very low36.3Very low115 Ų115121.2 Ų121.280%0.80475%0.752SS**  trans-167.9145.9156.2-79.60000109.9
884T32.2Very low35.6Very low114 Ų114126 Ų12670%0.69977%0.766SS**  cis-159.3116.9-14-86.20000108.7
885I39.3Very low35Very low154 Ų154122.8 Ų122.879%0.7977%0.765SS**  trans43.8139.7134.7-86.1154.1000120.3
886P37.3Very low35Very low101 Ų101128.2 Ų128.266%0.65679%0.788SS**  cis-149.8-169.1-16.644.8-25.5000117.5
887V33.5Very low35.8Very low123 Ų123125.4 Ų125.475%0.74577%0.769SS**  trans84133.1152.1168.40000119.9
888T33.6Very low36.8Very low124 Ų124121.8 Ų121.876%0.76175%0.753SS**  cis-154.8-159.1-36.355.80000108.4
889P34.4Very low38.7Very low118 Ų118119.6 Ų119.677%0.76673%0.731SS**  -138.2170.7-117.840.9-17.9000119.1
890S32.6Very low40.9Very low112 Ų112117.4 Ų117.478%0.78372%0.724SS**  trans-166.1131.1144.256.20000115
891T35.5Very low43.3Very low133 Ų133112.6 Ų112.682%0.81669%0.689SS**  trans68.694.7152.3-39.40000121.1
892C29.5Very low45.8Very low124 Ų124106.1 Ų106.184%0.83865%0.649SS**  trans24134.9144.9-55.20000123.4
893P34.9Very low48Very low129 Ų129102.3 Ų102.384%0.83863%0.628SS**  trans-106.3161.2175.340.4-33.9000115.6
894E35.4Very low50.7Low196 Ų19698.3 Ų98.392%0.91660%0.602SS**  trans-131.2142.8158.4-77-164.3142.100111.3Q896E894-Q896 PolarHBondContact O-N 3.42Å
895G39.2Very low53.2Low69 Ų6992.9 Ų92.971%0.71157%0.568SS**  trans15.681.5168.300000119.2L897G895-L897 PolarHBondContact O-N 3.49Å
896Q43.7Very low55.4Low190 Ų19091.8 Ų91.889%0.88856%0.558SS**  trans-72.5105.6177.4-168.8167.610.500111.7E894E894-Q896 PolarHBondContact O-N 3.42Å
897L52.4Low57.8Low55 Ų5595 Ų9529%0.28856%0.564SS.*  trans-68.2134.6175.3-82.2161.1000111.4G895 Y899 V902 A903 K906G895-L897 PolarHBondContact O-N 3.49Å; L897-Y899 VanDerWaalsContact C-N 3.26Å; L897-Y899 PolarHBondContact O-N 3.16Å; L897-V902 HydrophobicContact CD1-CG1 4.25Å; L897-V902 HydrophobicContact CD2-CG1 4.26Å; L897-A903 HydrophobicContact CB-CB 4.25Å; L897-K906 HydrophobicContact CD1-CB 4.29Å; L897-K906 HydrophobicContact CD1-CD 3.66Å
898V59.1Low60.3Low91 Ų9192.6 Ų92.655%0.55255%0.547SS*.SBendtrans-67.9-22.6-173.4-179.90000113.3D875D875-V898 HydrophobicContact CB-CG2 4.39Å
899Y75.5Confident62.8Low65 Ų6589.8 Ų89.826%0.25554%0.543SS..SBendtrans-117.7120.6-175.4-55-68000111.3H836 L897 D901 V902 A903H836-Y899 HydrophobicContact CB-CD1 4.16Å; H836-Y899 HydrophobicContact CB-CE1 3.72Å; H836-Y899 HydrophobicContact CB-CE2 4.21Å; H836-Y899 AromaticContact CD2-CE2 3.64Å; H836-Y899 AromaticContact CD2-CZ 3.89Å; H836-Y899 AromaticContact CE1-CD2 3.97Å; H836-Y899 AromaticContact CG-CE2 3.75Å; H836-Y899 AromaticContact CG-CZ 3.82Å; H836-Y899 AromaticContact ND1-CD2 3.92Å; H836-Y899 AromaticContact NE2-CE2 3.88Å; L897-Y899 VanDerWaalsContact C-N 3.26Å; L897-Y899 PolarHBondContact O-N 3.16Å; Y899-D901 VanDerWaalsContact C-N 3.3Å; Y899-D901 PolarHBondContact O-N 3.42Å; Y899-V902 PolarHBondContact O-N 2.79Å; Y899-V902 VanDerWaalsContact O-N 3.11Å; Y899-A903 PolarHBondContact O-N 3.48Å
900A80.1Confident65.4Low82 Ų8286.4 Ų86.468%0.67852%0.516SS*.Hα-helixtrans-66.1-27.5-170.100000114.4A904A900-A904 WeakPolarHBondContact O-CB 3.27Å; A900-A904 PolarHBondContact O-N 3Å
901D81.3Confident68.1Low16 Ų1687 Ų879%0.08650%0.502CS..Hα-helixtrans-73.9-37172.952.9-31.3000112.3A834 K835 M867 Y899 A903 A904 A905A834-D901 WeakPolarHBondContact CA-OD2 3.49Å; K835-D901 VanDerWaalsContact CG-OD2 3.29Å; K835-D901 WeakPolarHBondContact CG-OD2 3.3Å; K835-D901 PolarHBondContact N-OD2 3.16Å; M867-D901 HydrophobicContact CE-CB 4.13Å; M867-D901 WeakPolarHBondContact CE-O 3.38Å; Y899-D901 VanDerWaalsContact C-N 3.3Å; Y899-D901 PolarHBondContact O-N 3.42Å; D901-A903 VanDerWaalsContact C-N 3.35Å; D901-A904 PolarHBondContact O-N 3.24Å; D901-A905 WeakPolarHBondContact O-CB 3.35Å; D901-A905 PolarHBondContact O-N 3.38Å
902V85.8Confident70.8Confident1 Ų182.2 Ų82.21%0.00647%0.471CS..Hα-helixtrans-67.8-37.3171.5-173.40000110.9A834 M867 L897 Y899 K906 L912A834-V902 HydrophobicContact CB-CG2 3.58Å; M867-V902 HydrophobicContact SD-CB 4.31Å; M867-V902 HydrophobicContact SD-CG2 3.9Å; L897-V902 HydrophobicContact CD1-CG1 4.25Å; L897-V902 HydrophobicContact CD2-CG1 4.26Å; Y899-V902 PolarHBondContact O-N 2.79Å; Y899-V902 VanDerWaalsContact O-N 3.11Å; V902-K906 WeakPolarHBondContact O-CB 3.17Å; V902-K906 PolarHBondContact O-N 2.74Å; V902-L912 HydrophobicContact CG1-CD1 3.79Å; V902-L912 HydrophobicContact CG1-CD2 4.12Å
903A82.8Confident73.7Confident37 Ų3776.3 Ų76.331%0.30643%0.431SS..Hα-helixtrans-63.3-45.4172.800000112L897 Y899 D901 K906 Q907L897-A903 HydrophobicContact CB-CB 4.25Å; Y899-A903 PolarHBondContact O-N 3.48Å; D901-A903 VanDerWaalsContact C-N 3.35Å; A903-K906 PolarHBondContact O-N 3.02Å; A903-Q907 WeakPolarHBondContact O-CB 3.2Å; A903-Q907 PolarHBondContact O-N 3.32Å
904A85.7Confident76.4Confident31 Ų3171 Ų7126%0.25640%0.396SS..Hα-helixtrans-61-50175.100000111.8Y859 A900 D901 K906 Q907 D908Y859-A904 HydrophobicContact CD1-CB 4.38Å; Y859-A904 HydrophobicContact CE1-CB 4.08Å; A900-A904 WeakPolarHBondContact O-CB 3.27Å; A900-A904 PolarHBondContact O-N 3Å; D901-A904 PolarHBondContact O-N 3.24Å; A904-K906 PolarHBondContact O-N 3.02Å; A904-Q907 WeakPolarHBondContact O-CA 3.49Å; A904-Q907 WeakPolarHBondContact O-CB 3.28Å; A904-Q907 PolarHBondContact O-N 3.42Å; A904-D908 VanDerWaalsContact O-CG 3.27Å; A904-D908 PolarHBondContact O-N 2.98Å; A904-D908 VanDerWaalsContact O-OD2 3.11Å
905A86.3Confident79Confident0 Ų062 Ų620%035%0.354CS..Hα-helixtrans-58.2-35.1177.400000113Y859 M867 D901 G909 K910 L912Y859-A905 HydrophobicContact CD2-CB 4.46Å; Y859-A905 HydrophobicContact CE2-CB 3.95Å; M867-A905 HydrophobicContact CB-CB 3.91Å; M867-A905 HydrophobicContact CE-CB 3.78Å; M867-A905 HydrophobicContact CG-CB 4.45Å; M867-A905 HydrophobicContact SD-CB 3.74Å; D901-A905 WeakPolarHBondContact O-CB 3.35Å; D901-A905 PolarHBondContact O-N 3.38Å; A905-G909 PolarHBondContact O-N 3.34Å; A905-K910 HydrophobicContact CB-CB 4.29Å; A905-K910 HydrophobicContact CB-CG 4.47Å; A905-K910 VanDerWaalsContact O-CB 3.29Å; A905-K910 WeakPolarHBondContact O-CB 3.2Å; A905-K910 WeakPolarHBondContact O-CG 3.5Å; A905-K910 PolarHBondContact O-N 3.05Å; A905-L912 HydrophobicContact CB-CD2 3.88Å
906K85.8Confident81.3Confident130 Ų13063.3 Ų63.357%0.56534%0.34SS*.Hα-helixtrans-68.5-41.7172.1-169177.4173.7-171.90112.5L897 V902 A903 A904 D908 G909 L912L897-K906 HydrophobicContact CD1-CB 4.29Å; L897-K906 HydrophobicContact CD1-CD 3.66Å; V902-K906 WeakPolarHBondContact O-CB 3.17Å; V902-K906 PolarHBondContact O-N 2.74Å; A903-K906 PolarHBondContact O-N 3.02Å; A904-K906 PolarHBondContact O-N 3.02Å; K906-D908 VanDerWaalsContact C-N 3.34Å; K906-G909 PolarHBondContact O-N 3.26Å; K906-L912 HydrophobicContact CB-CD1 4.12Å; K906-L912 HydrophobicContact CG-CD1 4.47Å
907Q85.9Confident83.7Confident170 Ų17054.2 Ų54.279%0.79430%0.298SS*.Hα-helixtrans-65.1-36.9178.4-177.1173.3-5.200112.1A903 A904 G909A903-Q907 WeakPolarHBondContact O-CB 3.2Å; A903-Q907 PolarHBondContact O-N 3.32Å; A904-Q907 WeakPolarHBondContact O-CA 3.49Å; A904-Q907 WeakPolarHBondContact O-CB 3.28Å; A904-Q907 PolarHBondContact O-N 3.42Å; Q907-G909 PolarHBondContact O-N 2.69Å
908D87.4Confident85.5Confident71 Ų7151.7 Ų51.738%0.3829%0.285SS..THydrogen-bonded Turntrans-82.39.5177.4-57-40.6000113.5Y859 P861 A904 K906 K910Y859-D908 VanDerWaalsContact CE1-OD2 3.24Å; Y859-D908 WeakPolarHBondContact CE1-OD2 3.31Å; Y859-D908 VanDerWaalsContact OH-CB 3.24Å; Y859-D908 WeakPolarHBondContact OH-CB 3.34Å; Y859-D908 PolarHBondContact OH-OD2 2.95Å; P861-D908 HydrophobicContact CB-CB 4.46Å; P861-D908 WeakPolarHBondContact CB-OD2 3.39Å; A904-D908 VanDerWaalsContact O-CG 3.27Å; A904-D908 PolarHBondContact O-N 2.98Å; A904-D908 VanDerWaalsContact O-OD2 3.11Å; K906-D908 VanDerWaalsContact C-N 3.34Å; D908-K910 VanDerWaalsContact C-N 3.34Å; D908-K910 HydrophobicContact CB-CD 4.44Å; D908-K910 HydrophobicContact CB-CG 4.11Å; D908-K910 WeakPolarHBondContact O-CE 3.39Å; D908-K910 PolarHBondContact O-N 2.83Å
909G86.2Confident86.9Confident66 Ų6649.8 Ų49.868%0.6827%0.273SS*.THydrogen-bonded Turntrans67.725.7175.900000115.2A905 K906 Q907A905-G909 PolarHBondContact O-N 3.34Å; K906-G909 PolarHBondContact O-N 3.26Å; Q907-G909 PolarHBondContact O-N 2.69Å
910K88.8Confident87.5Confident47 Ų4748.4 Ų48.420%0.20427%0.273CS..  trans-83.1152.7-179.3-48.4-54.9-179.11600111.7Y859 P861 C864 A905 D908 L912Y859-K910 HydrophobicContact CE2-CG 4.16Å; Y859-K910 WeakPolarHBondContact OH-CG 3.4Å; P861-K910 WeakPolarHBondContact O-CE 3.49Å; P861-K910 PolarHBondContact O-NZ 3.35Å; C864-K910 WeakPolarHBondContact O-CD 3.21Å; C864-K910 VanDerWaalsContact O-CE 3.29Å; C864-K910 WeakPolarHBondContact O-CE 3.29Å; C864-K910 PolarHBondContact O-NZ 2.71Å; A905-K910 HydrophobicContact CB-CB 4.29Å; A905-K910 HydrophobicContact CB-CG 4.47Å; A905-K910 VanDerWaalsContact O-CB 3.29Å; A905-K910 WeakPolarHBondContact O-CB 3.2Å; A905-K910 WeakPolarHBondContact O-CG 3.5Å; A905-K910 PolarHBondContact O-N 3.05Å; D908-K910 VanDerWaalsContact C-N 3.34Å; D908-K910 HydrophobicContact CB-CD 4.44Å; D908-K910 HydrophobicContact CB-CG 4.11Å; D908-K910 WeakPolarHBondContact O-CE 3.39Å; D908-K910 PolarHBondContact O-N 2.83Å; K910-L912 PolarHBondContact O-N 3.28Å
911Y89.9Confident87.9Confident123 Ų12344.5 Ų44.548%0.48224%0.241SC..EExtended strand (participates in β ladder)trans-70.2111.8176.8-68.5-83.4000110.8T865 H866 M867 E930T865-Y911 PolarHBondContact O-N 3.06Å; T865-Y911 VanDerWaalsContact O-N 3.17Å; H866-Y911 CarbonylContact C-O 3.56Å; H866-Y911 VanDerWaalsContact CA-O 3.3Å; H866-Y911 WeakPolarHBondContact CA-O 3.49Å; H866-Y911 AromaticContact CE1-CD2 3.83Å; H866-Y911 AromaticContact NE2-CD2 3.95Å; M867-Y911 PolarHBondContact N-O 2.63Å; Y911-E930 HydrophobicContact CD1-CB 3.57Å; Y911-E930 HydrophobicContact CD1-CG 3.71Å; Y911-E930 HydrophobicContact CE1-CB 4.22Å; Y911-E930 HydrophobicContact CE1-CG 4.31Å; Y911-E930 HydrophobicContact CG-CB 4.23Å; Y911-E930 HydrophobicContact CG-CG 3.96Å
912L90.3Very high88.1Confident33 Ų3347.5 Ų47.517%0.17326%0.256CS..EExtended strand (participates in β ladder)trans-85.7119168.4-59.9-171.8000109.3M867 V902 A905 K906 K910 P935M867-L912 HydrophobicContact CB-CD2 3.94Å; M867-L912 WeakPolarHBondContact O-CA 3.33Å; V902-L912 HydrophobicContact CG1-CD1 3.79Å; V902-L912 HydrophobicContact CG1-CD2 4.12Å; A905-L912 HydrophobicContact CB-CD2 3.88Å; K906-L912 HydrophobicContact CB-CD1 4.12Å; K906-L912 HydrophobicContact CG-CD1 4.47Å; K910-L912 PolarHBondContact O-N 3.28Å; L912-P935 HydrophobicContact CB-CG 4.06Å; L912-P935 HydrophobicContact CD1-CG 4.49Å
913V91.4Very high88Confident0 Ų053.4 Ų53.40%029%0.291CS..EExtended strand (participates in β ladder)trans-130.1150.5179.1-68.60000111.5M867 I868 S869 W917 E930 F933M867-V913 PolarHBondContact O-N 3.25Å; M867-V913 VanDerWaalsContact O-N 3.09Å; I868-V913 VanDerWaalsContact CA-O 3.29Å; I868-V913 WeakPolarHBondContact CA-O 3.26Å; I868-V913 HydrophobicContact CG1-CG2 4.08Å; S869-V913 PolarHBondContact N-O 3.17Å; V913-W917 HydrophobicContact CB-CB 4.07Å; V913-W917 HydrophobicContact CB-CD2 4.4Å; V913-W917 HydrophobicContact CB-CG 4.2Å; V913-W917 HydrophobicContact CG1-CD2 4.3Å; V913-W917 HydrophobicContact CG1-CG 4.21Å; V913-W917 HydrophobicContact CG2-CB 4.41Å; V913-W917 HydrophobicContact CG2-CD2 4.21Å; V913-W917 HydrophobicContact CG2-CE3 3.93Å; V913-W917 HydrophobicContact CG2-CG 4.45Å; V913-E930 HydrophobicContact CG1-CB 3.71Å; V913-E930 HydrophobicContact CG1-CG 4Å; V913-F933 CarbonylContact C-O 3.57Å; V913-F933 WeakPolarHBondContact CA-O 3.3Å
914N91.1Very high88Confident19 Ų1953.8 Ų53.810%0.10230%0.295CS..  trans-79.8160.8172.271.754.1000112S869 K916 W917 F933 P934S869-N914 WeakPolarHBondContact O-CA 3.48Å; N914-K916 PolarHBondContact O-N 3.2Å; N914-K916 VanDerWaalsContact O-N 3.08Å; N914-K916 WeakPolarHBondContact OD1-CA 3.31Å; N914-K916 WeakPolarHBondContact OD1-CB 3.47Å; N914-K916 PolarHBondContact OD1-N 3.09Å; N914-W917 WeakPolarHBondContact O-CB 3.43Å; N914-W917 PolarHBondContact O-N 2.94Å; N914-W917 VanDerWaalsContact O-N 3.13Å; N914-F933 PolarHBondContact N-O 2.9Å; N914-F933 VanDerWaalsContact ND2-C 3.3Å; N914-F933 PolarHBondContact ND2-O 2.92Å; N914-P934 WeakPolarHBondContact CB-O 3.08Å; N914-P934 PolarHBondContact ND2-O 3.19Å
915P90.9Very high87.7Confident5 Ų557 Ų573%0.03231%0.314CS..THydrogen-bonded Turntrans-57.5-22.9179.9-27.936.1000115.4L837 L844 I868 E870 W917L837-P915 HydrophobicContact CD1-CG 3.92Å; L844-P915 HydrophobicContact CD2-CB 4.1Å; I868-P915 HydrophobicContact CG2-CB 4.3Å; I868-P915 HydrophobicContact CG2-CG 3.75Å; E870-P915 HydrophobicContact CB-CG 4.34Å; P915-W917 VanDerWaalsContact C-N 3.25Å; P915-W917 PolarHBondContact O-N 2.95Å
916K88Confident87.6Confident97 Ų9759.9 Ų59.942%0.42233%0.333SS..Hα-helixtrans-66.1-29179.5-51.7174.6-178169.90111.4N914 L918 T919 S920 F933N914-K916 PolarHBondContact O-N 3.2Å; N914-K916 VanDerWaalsContact O-N 3.08Å; N914-K916 WeakPolarHBondContact OD1-CA 3.31Å; N914-K916 WeakPolarHBondContact OD1-CB 3.47Å; N914-K916 PolarHBondContact OD1-N 3.09Å; K916-L918 VanDerWaalsContact C-N 3.34Å; K916-L918 PolarHBondContact O-N 2.92Å; K916-T919 WeakPolarHBondContact CA-OG1 3.27Å; K916-T919 PolarHBondContact O-N 3.39Å; K916-T919 VanDerWaalsContact O-N 3.1Å; K916-T919 PolarHBondContact O-OG1 2.82Å; K916-S920 WeakPolarHBondContact O-CB 3.24Å; K916-S920 PolarHBondContact O-N 3.34Å; K916-S920 PolarHBondContact O-OG 2.93Å; K916-F933 HydrophobicContact CB-CD1 4.08Å; K916-F933 HydrophobicContact CB-CE1 4.26Å
917W93.4Very high87.6Confident0 Ų058.7 Ų58.70%033%0.325CS..Hα-helixtrans-53-48.1178.5-177.372.4000112.3L826 V829 I831 H866 V913 N914 P915 S920 C921 R927 L928 E930 F933L826-W917 HydrophobicContact CD1-CH2 4.4Å; L826-W917 HydrophobicContact CD1-CZ3 4.2Å; L826-W917 HydrophobicContact CD2-CH2 3.54Å; L826-W917 HydrophobicContact CD2-CZ2 4.04Å; L826-W917 HydrophobicContact CD2-CZ3 4.13Å; V829-W917 HydrophobicContact CG1-CH2 4.26Å; I831-W917 HydrophobicContact CD1-CZ3 3.78Å; H866-W917 AromaticContact CD2-CH2 3.62Å; H866-W917 AromaticContact NE2-CH2 3.76Å; V913-W917 HydrophobicContact CB-CB 4.07Å; V913-W917 HydrophobicContact CB-CD2 4.4Å; V913-W917 HydrophobicContact CB-CG 4.2Å; V913-W917 HydrophobicContact CG1-CD2 4.3Å; V913-W917 HydrophobicContact CG1-CG 4.21Å; V913-W917 HydrophobicContact CG2-CB 4.41Å; V913-W917 HydrophobicContact CG2-CD2 4.21Å; V913-W917 HydrophobicContact CG2-CE3 3.93Å; V913-W917 HydrophobicContact CG2-CG 4.45Å; N914-W917 WeakPolarHBondContact O-CB 3.43Å; N914-W917 PolarHBondContact O-N 2.94Å; N914-W917 VanDerWaalsContact O-N 3.13Å; P915-W917 VanDerWaalsContact C-N 3.25Å; P915-W917 PolarHBondContact O-N 2.95Å; W917-S920 PolarHBondContact O-N 3.07Å; W917-C921 WeakPolarHBondContact O-CB 3.3Å; W917-C921 PolarHBondContact O-N 3.44Å; W917-C921 PolarHBondContact O-SG 2.69Å; W917-R927 HydrophobicContact CZ2-CG 4.23Å; W917-L928 PolarHBondContact NE1-O 3.08Å; W917-E930 HydrophobicContact CZ2-CG 3.93Å; W917-F933 HydrophobicContact CB-CB 3.69Å; W917-F933 HydrophobicContact CB-CD1 4.03Å; W917-F933 HydrophobicContact CB-CD2 4.36Å; W917-F933 HydrophobicContact CB-CG 3.77Å; W917-F933 AromaticContact CD1-CD2 3.53Å; W917-F933 AromaticContact CD1-CG 3.82Å; W917-F933 HydrophobicContact CG-CB 4.2Å; W917-F933 HydrophobicContact CG-CD2 4.35Å; W917-F933 HydrophobicContact CG-CG 4.22Å
918L90.2Very high87.7Confident1 Ų152.5 Ų52.51%0.00530%0.297CS..Hα-helixtrans-61.9-46.4176.6-75.1-172.9000112.2L826 I831 L844 I847 V848 L851 I868 K916 S920 C921 M922L826-L918 HydrophobicContact CD1-CD2 3.66Å; I831-L918 HydrophobicContact CD1-CD2 3.9Å; L844-L918 HydrophobicContact CB-CD1 4.15Å; L844-L918 HydrophobicContact CD2-CD1 4.13Å; I847-L918 HydrophobicContact CB-CD1 4.34Å; I847-L918 HydrophobicContact CG2-CB 3.92Å; I847-L918 HydrophobicContact CG2-CD1 4.36Å; V848-L918 HydrophobicContact CG2-CD1 3.64Å; V848-L918 HydrophobicContact CG2-CD2 3.81Å; V848-L918 HydrophobicContact CG2-CG 4.4Å; L851-L918 HydrophobicContact CD1-CD2 4.42Å; I868-L918 HydrophobicContact CD1-CD1 3.38Å; I868-L918 HydrophobicContact CD1-CG 3.83Å; K916-L918 VanDerWaalsContact C-N 3.34Å; K916-L918 PolarHBondContact O-N 2.92Å; L918-S920 VanDerWaalsContact C-N 3.28Å; L918-S920 PolarHBondContact O-N 2.83Å; L918-C921 PolarHBondContact O-N 3.26Å; L918-M922 WeakPolarHBondContact O-CB 3.24Å; L918-M922 PolarHBondContact O-N 3.1Å
919T87.5Confident87.5Confident51 Ų5152 Ų5231%0.31330%0.298SS..Hα-helixtrans-65.3-34179.655.60000112.2I847 K916 V923I847-T919 HydrophobicContact CD1-CG2 4.39Å; K916-T919 WeakPolarHBondContact CA-OG1 3.27Å; K916-T919 PolarHBondContact O-N 3.39Å; K916-T919 VanDerWaalsContact O-N 3.1Å; K916-T919 PolarHBondContact O-OG1 2.82Å; T919-V923 VanDerWaalsContact O-CG2 3.29Å; T919-V923 WeakPolarHBondContact O-CG2 3.2Å; T919-V923 PolarHBondContact O-N 2.73Å
920S88Confident87.7Confident37 Ų3750.2 Ų50.226%0.25927%0.272SS..Hα-helixtrans-76.5-37.9177.7-64.10000112.3K916 W917 L918 M922 V923 A924 L928 F933K916-S920 WeakPolarHBondContact O-CB 3.24Å; K916-S920 PolarHBondContact O-N 3.34Å; K916-S920 PolarHBondContact O-OG 2.93Å; W917-S920 PolarHBondContact O-N 3.07Å; L918-S920 VanDerWaalsContact C-N 3.28Å; L918-S920 PolarHBondContact O-N 2.83Å; S920-M922 VanDerWaalsContact C-N 3.3Å; S920-M922 PolarHBondContact O-N 3.48Å; S920-V923 PolarHBondContact O-N 2.68Å; S920-A924 VanDerWaalsContact O-CB 3.25Å; S920-A924 WeakPolarHBondContact O-CB 3.39Å; S920-A924 PolarHBondContact O-N 3Å; S920-L928 VanDerWaalsContact CB-CD1 3.44Å; S920-F933 VanDerWaalsContact CB-CZ 3.47Å; S920-F933 WeakPolarHBondContact OG-CE1 3.41Å
921C89.1Confident87.4Confident0 Ų052.3 Ų52.30%029%0.293CS..Hα-helixtrans-61.4-40.2169.8-65.20000111.3L851 W917 L918 A924 C925 C926 L928L851-C921 HydrophobicContact CD1-CB 4.1Å; W917-C921 WeakPolarHBondContact O-CB 3.3Å; W917-C921 PolarHBondContact O-N 3.44Å; W917-C921 PolarHBondContact O-SG 2.69Å; L918-C921 PolarHBondContact O-N 3.26Å; C921-A924 PolarHBondContact O-N 2.94Å; C921-C925 WeakPolarHBondContact O-CA 3.35Å; C921-C925 PolarHBondContact O-N 3.41Å; C921-C926 WeakPolarHBondContact CA-O 3.24Å; C921-C926 WeakPolarHBondContact CB-O 3.45Å; C921-C926 PolarHBondContact O-N 2.93Å; C921-L928 PolarHBondContact SG-N 2.98Å; C921-L928 VanDerWaalsContact SG-N 3.4Å
922M85.6Confident87.1Confident79 Ų7951.3 Ų51.339%0.38930%0.296SS..Hα-helixtrans-65.2-35.2175.3-174.9172.662.600113.4I847 L851 L918 S920I847-M922 HydrophobicContact CG2-CB 4.48Å; I847-M922 HydrophobicContact CG2-SD 4.06Å; L851-M922 HydrophobicContact CD1-CB 4.2Å; L851-M922 HydrophobicContact CD2-CB 3.83Å; L851-M922 HydrophobicContact CD2-CG 4.08Å; L851-M922 HydrophobicContact CG-CB 4.5Å; L918-M922 WeakPolarHBondContact O-CB 3.24Å; L918-M922 PolarHBondContact O-N 3.1Å; S920-M922 VanDerWaalsContact C-N 3.3Å; S920-M922 PolarHBondContact O-N 3.48Å
923V83.8Confident87Confident124 Ų12451.1 Ų51.175%0.75229%0.294SS*.Hα-helixtrans-79.2-31.1176.6168.10000112.2T919 S920T919-V923 VanDerWaalsContact O-CG2 3.29Å; T919-V923 WeakPolarHBondContact O-CG2 3.2Å; T919-V923 PolarHBondContact O-N 2.73Å; S920-V923 PolarHBondContact O-N 2.68Å
924A82.4Confident86.6Confident46 Ų4653.5 Ų53.538%0.3831%0.309SS..Hα-helixtrans-86.1-13.2178.800000114S920 C921 C926 L928S920-A924 VanDerWaalsContact O-CB 3.25Å; S920-A924 WeakPolarHBondContact O-CB 3.39Å; S920-A924 PolarHBondContact O-N 3Å; C921-A924 PolarHBondContact O-N 2.94Å; A924-C926 PolarHBondContact O-N 2.61Å; A924-L928 HydrophobicContact CB-CD1 4.33Å; A924-L928 HydrophobicContact CB-CD2 4.01Å; A924-L928 HydrophobicContact CB-CG 4.33Å
925C80.2Confident85.7Confident99 Ų9953.8 Ų53.867%0.66931%0.312SS*.THydrogen-bonded Turntrans54.124.4-170.6-60.70000114.1C921C921-C925 WeakPolarHBondContact O-CA 3.35Å; C921-C925 PolarHBondContact O-N 3.41Å
926C83.5Confident84.6Confident59 Ų5957 Ų5740%0.39933%0.331SS..SBendtrans-148.3162.4-178.371.40000111.1C921 A924 L928C921-C926 WeakPolarHBondContact CA-O 3.24Å; C921-C926 WeakPolarHBondContact CB-O 3.45Å; C921-C926 PolarHBondContact O-N 2.93Å; A924-C926 PolarHBondContact O-N 2.61Å; C926-L928 PolarHBondContact O-N 3.03Å
927R86.3Confident82.7Confident105 Ų10555.4 Ų55.440%0.39633%0.332SS..  trans-75115.7175.6-168.2169.4170.9176.3-3.9109.4C825 L826 H866 W917 E930C825-R927 WeakPolarHBondContact O-CB 3.32Å; L826-R927 HydrophobicContact CD2-CG 4.15Å; H866-R927 PolarHBondContact CE1-NH2 2.96Å; H866-R927 VanDerWaalsContact CE1-NH2 3.25Å; H866-R927 PolarHBondContact NE2-NH2 2.96Å; H866-R927 VanDerWaalsContact NE2-NH2 3.12Å; W917-R927 HydrophobicContact CZ2-CG 4.23Å; R927-E930 IonicContact CZ-OE1 3.22Å; R927-E930 IonicContact NE-OE1 2.69Å; R927-E930 PolarHBondContact NE-OE1 3.27Å; R927-E930 IonicContact NH2-OE1 2.71Å; R927-E930 PolarHBondContact NH2-OE1 3.46Å
928L87.2Confident79.9Confident40 Ų4062.9 Ų62.921%0.20937%0.371CS..  trans-85.7150.5172.6-59179.2000110.4W917 S920 C921 A924 C926 E930 F933W917-L928 PolarHBondContact NE1-O 3.08Å; S920-L928 VanDerWaalsContact CB-CD1 3.44Å; C921-L928 PolarHBondContact SG-N 2.98Å; C921-L928 VanDerWaalsContact SG-N 3.4Å; A924-L928 HydrophobicContact CB-CD1 4.33Å; A924-L928 HydrophobicContact CB-CD2 4.01Å; A924-L928 HydrophobicContact CB-CG 4.33Å; C926-L928 PolarHBondContact O-N 3.03Å; L928-E930 PolarHBondContact O-N 2.9Å; L928-F933 HydrophobicContact CB-CE2 3.99Å; L928-F933 HydrophobicContact CD1-CE2 3.95Å; L928-F933 HydrophobicContact CD1-CZ 3.86Å
929P84.9Confident77.2Confident61 Ų6169.2 Ų69.240%0.39641%0.405SS..  trans-58.7134.6178.8-22.633.9000112S931 D932P929-S931 VanDerWaalsContact CB-OG 3.32Å; P929-S931 WeakPolarHBondContact CB-OG 3.15Å; P929-S931 PolarHBondContact O-N 3.47Å; P929-D932 PolarHBondContact O-N 2.94Å
930E89.1Confident74.7Confident28 Ų2870.2 Ų70.213%0.13143%0.426CS..G310 helixtrans-66.4-25178.9-60.675.5-164.200111.7H866 Y911 V913 W917 R927 L928 D932 F933H866-E930 IonicContact NE2-OE1 2.72Å; H866-E930 PolarHBondContact NE2-OE1 2.65Å; Y911-E930 HydrophobicContact CD1-CB 3.57Å; Y911-E930 HydrophobicContact CD1-CG 3.71Å; Y911-E930 HydrophobicContact CE1-CB 4.22Å; Y911-E930 HydrophobicContact CE1-CG 4.31Å; Y911-E930 HydrophobicContact CG-CB 4.23Å; Y911-E930 HydrophobicContact CG-CG 3.96Å; V913-E930 HydrophobicContact CG1-CB 3.71Å; V913-E930 HydrophobicContact CG1-CG 4Å; W917-E930 HydrophobicContact CZ2-CG 3.93Å; R927-E930 IonicContact CZ-OE1 3.22Å; R927-E930 IonicContact NE-OE1 2.69Å; R927-E930 PolarHBondContact NE-OE1 3.27Å; R927-E930 IonicContact NH2-OE1 2.71Å; R927-E930 PolarHBondContact NH2-OE1 3.46Å; L928-E930 PolarHBondContact O-N 2.9Å; E930-D932 PolarHBondContact O-N 2.89Å; E930-F933 PolarHBondContact O-N 3.34Å
931S83.4Confident71.9Confident91 Ų9178 Ų7864%0.63645%0.454SS*.G310 helixtrans-56.5-30174.148.40000114P929 F933P929-S931 VanDerWaalsContact CB-OG 3.32Å; P929-S931 WeakPolarHBondContact CB-OG 3.15Å; P929-S931 PolarHBondContact O-N 3.47Å; S931-F933 VanDerWaalsContact C-N 3.28Å; S931-F933 PolarHBondContact O-N 2.9Å
932D83.9Confident69.1Low103 Ų10385.2 Ų85.255%0.55150%0.499SS*.G310 helixtrans-87.7-7.3-168.8-54.6-1.3000111P929 E930 P934P929-D932 PolarHBondContact O-N 2.94Å; E930-D932 PolarHBondContact O-N 2.89Å; D932-P934 VanDerWaalsContact C-CD 3.43Å
933F88.3Confident66.3Low29 Ų2986.7 Ų86.713%0.12752%0.517CS..SBendtrans-130.753-175.1-62.8-97.2000112.9V913 N914 K916 W917 S920 L928 E930 S931V913-F933 CarbonylContact C-O 3.57Å; V913-F933 WeakPolarHBondContact CA-O 3.3Å; N914-F933 PolarHBondContact N-O 2.9Å; N914-F933 VanDerWaalsContact ND2-C 3.3Å; N914-F933 PolarHBondContact ND2-O 2.92Å; K916-F933 HydrophobicContact CB-CD1 4.08Å; K916-F933 HydrophobicContact CB-CE1 4.26Å; W917-F933 HydrophobicContact CB-CB 3.69Å; W917-F933 HydrophobicContact CB-CD1 4.03Å; W917-F933 HydrophobicContact CB-CD2 4.36Å; W917-F933 HydrophobicContact CB-CG 3.77Å; W917-F933 AromaticContact CD1-CD2 3.53Å; W917-F933 AromaticContact CD1-CG 3.82Å; W917-F933 HydrophobicContact CG-CB 4.2Å; W917-F933 HydrophobicContact CG-CD2 4.35Å; W917-F933 HydrophobicContact CG-CG 4.22Å; S920-F933 VanDerWaalsContact CB-CZ 3.47Å; S920-F933 WeakPolarHBondContact OG-CE1 3.41Å; L928-F933 HydrophobicContact CB-CE2 3.99Å; L928-F933 HydrophobicContact CD1-CE2 3.95Å; L928-F933 HydrophobicContact CD1-CZ 3.86Å; E930-F933 PolarHBondContact O-N 3.34Å; S931-F933 VanDerWaalsContact C-N 3.28Å; S931-F933 PolarHBondContact O-N 2.9Å
934P81.6Confident63.9Low50 Ų5088 Ų8833%0.32553%0.525SS..  trans-61.2154.7179.429-36.7000111.9N914 D932 T936N914-P934 WeakPolarHBondContact CB-O 3.08Å; N914-P934 PolarHBondContact ND2-O 3.19Å; D932-P934 VanDerWaalsContact C-CD 3.43Å; P934-T936 PolarHBondContact O-N 3.27Å
935P72.1Confident61.2Low24 Ų2490.8 Ų90.816%0.15654%0.542CS..SBendtrans-65.6-22.1-177.527.4-36.3000113.9S869 T871 L912S869-P935 WeakPolarHBondContact O-CA 3.28Å; S869-P935 VanDerWaalsContact O-CB 3.31Å; S869-P935 WeakPolarHBondContact O-CB 3.43Å; S869-P935 WeakPolarHBondContact OG-CB 3.39Å; T871-P935 PolarHBondContact N-O 3.35Å; T871-P935 VanDerWaalsContact OG1-C 3.25Å; T871-P935 PolarHBondContact OG1-O 3.32Å; T871-P935 VanDerWaalsContact OG1-O 3.04Å; L912-P935 HydrophobicContact CB-CG 4.06Å; L912-P935 HydrophobicContact CD1-CG 4.49Å
936T68.7Low58.9Low72 Ų7292.8 Ų92.844%0.44255%0.551SS.*BIsolated β-bridgetrans-86.7123.7175.447.90000111.9T871 P934 L938T871-T936 WeakPolarHBondContact OG1-CA 3.24Å; T871-T936 VanDerWaalsContact OG1-CG2 3.3Å; T871-T936 WeakPolarHBondContact OG1-CG2 3.48Å; T871-T936 PolarHBondContact OG1-N 3.34Å; P934-T936 PolarHBondContact O-N 3.27Å; T936-L938 PolarHBondContact O-N 3.25Å
937C47.3Very low56.1Low65 Ų6595.1 Ų95.144%0.43957%0.568SS.*  trans-78.4101.7177.6-156.50000111.9D939C937-D939 PolarHBondContact O-N 3.42Å; C937-D939 PolarHBondContact SG-OD2 2.86Å
938L35.9Very low53.5Low156 Ų15695.7 Ų95.782%0.81759%0.585SS**  trans-88.869.5177.1-82.6169.6000112.7T936T936-L938 PolarHBondContact O-N 3.25Å
939D33.1Very low50.6Low135 Ų13599.9 Ų99.972%0.72261%0.612SS**  trans-104.680.3173.1-88.2-58.3000111.3C937C937-D939 PolarHBondContact O-N 3.42Å; C937-D939 PolarHBondContact SG-OD2 2.86Å
940G33.6Very low47.7Very low72 Ų72105.4 Ų105.474%0.74263%0.633SS**  trans-12125.8-15800000118.7
941K30.7Very low44.7Very low199 Ų199108.8 Ų108.887%0.86566%0.657SS**  trans43.6117.3163.1-64170-178.7165.60119.6
942T30.6Very low41.9Very low153 Ų153113.1 Ų113.194%0.93967%0.668SS**  trans-124.3145134.443.80000109.8
943S26.8Very low39.3Very low109 Ų109113.7 Ų113.776%0.76268%0.677SS**  trans-137.5124.2-167.258.20000112.8
944V32.7Very low36.2Very low152 Ų152122 Ų12292%0.92171%0.713SS**  trans-137.4143.7155.9-177.50000107.8
945S25.6Very low33.6Very low105 Ų105124.3 Ų124.373%0.73474%0.736SS**  trans-100.7133.8-170.7141.30000112.9
946T31.2Very low31.4Very low141 Ų141127.3 Ų127.387%0.86576%0.763SS**  trans-158141.3134.918.10000110.8
947S25.5Very low29.3Very low108 Ų108135.6 Ų135.676%0.75579%0.786SS**  trans-89.1154.3168.457.30000110.9
948P30.7Very low28.4Very low117 Ų117138.5 Ų138.576%0.7680%0.802SS**  -147151.595.738.2-23000116.8
949V26.5Very low27.8Very low127 Ų127135.1 Ų135.177%0.7780%0.796SS**  trans31128.9139.2-171.80000121.2
950E24.3Very low27.6Very low177 Ų177133.1 Ų133.183%0.82779%0.793SS**  trans69.8156.8161.2-86.1-163113.500120.4
951P27Very low27.3Very low100 Ų100137.8 Ų137.865%0.64980%0.799SS**  cis-119.5164.4-16.237-24000113.3P953P951-P953 VanDerWaalsContact O-CD 3.3Å; P951-P953 WeakPolarHBondContact O-CD 3.4Å
952Q24Very low27.5Very low182 Ų182133.4 Ų133.485%0.8579%0.785SS**PPolyproline II helixtrans-67.9118.1166.3-82.8-100.2-37.100110.4K954Q952-K954 PolarHBondContact O-N 3.47Å
953P28.5Very low27.6Very low115 Ų115131.9 Ų131.975%0.74777%0.771SS**PPolyproline II helixtrans-69.4117.4169.528.8-31.9000108.8P951 A955P951-P953 VanDerWaalsContact O-CD 3.3Å; P951-P953 WeakPolarHBondContact O-CD 3.4Å; P953-A955 PolarHBondContact O-N 2.92Å
954K23.9Very low28.1Very low204 Ų204130.9 Ų130.989%0.88775%0.753SS**PPolyproline II helixtrans-53.3123.6179.1-65.8166-177.7168.70109.6Q952 A956Q952-K954 PolarHBondContact O-N 3.47Å; K954-A956 PolarHBondContact O-N 3.38Å
955A26.8Very low28.7Very low97 Ų97125.6 Ų125.680%0.80273%0.729SS**  trans-56.4109.917200000109.5P953 R957P953-A955 PolarHBondContact O-N 2.92Å; A955-R957 PolarHBondContact O-N 3.19Å
956A25.9Very low29.8Very low87 Ų87124.3 Ų124.372%0.71971%0.714SS**  trans-63123.7178.300000108.7K954 V958K954-A956 PolarHBondContact O-N 3.38Å; A956-V958 PolarHBondContact O-N 3.05Å
957R24.5Very low30.5Very low246 Ų246119.2 Ų119.293%0.92868%0.681SS**  trans-71.480.6174.7-74.2-178.6173.9171.9-2.9109.7A955 A959A955-R957 PolarHBondContact O-N 3.19Å; R957-A959 VanDerWaalsContact C-N 3.33Å; R957-A959 PolarHBondContact O-N 2.89Å
958V27.7Very low31.6Very low127 Ų127115 Ų11577%0.7765%0.65SS**  trans-65.899.6159.3-179.80000106.4A956 S960A956-V958 PolarHBondContact O-N 3.05Å; V958-S960 VanDerWaalsContact C-N 3.28Å; V958-S960 PolarHBondContact O-N 3.28Å
959A24.8Very low33Very low85 Ų85117 Ų11770%0.70264%0.642SS**  trans-75.481-179.300000109.9R957 L961R957-A959 VanDerWaalsContact C-N 3.33Å; R957-A959 PolarHBondContact O-N 2.89Å; A959-L961 PolarHBondContact O-N 3.04Å; A959-L961 VanDerWaalsContact O-N 3.1Å
960S28.4Very low34.4Very low93 Ų93116 Ų11665%0.6563%0.625SS**  trans-63109.5170.3540000109.5V958 N962V958-S960 VanDerWaalsContact C-N 3.28Å; V958-S960 PolarHBondContact O-N 3.28Å; S960-N962 PolarHBondContact O-N 3.22Å
961L26.6Very low35.7Very low169 Ų169107.8 Ų107.889%0.88559%0.587SS**  trans-71.854.2-176.1-76.7163.2000113.3A959 L963A959-L961 PolarHBondContact O-N 3.04Å; A959-L961 VanDerWaalsContact O-N 3.1Å; L961-L963 PolarHBondContact O-N 3.03Å
962N35.4Very low36.8Very low107 Ų107104.7 Ų104.757%0.57257%0.573SS**  trans-92.373.4177.4-89.3-20.3000111.6S960 F964 G965 D966S960-N962 PolarHBondContact O-N 3.22Å; N962-F964 PolarHBondContact O-N 3.31Å; N962-F964 VanDerWaalsContact O-N 3.14Å; N962-G965 WeakPolarHBondContact O-CA 3.21Å; N962-G965 PolarHBondContact O-N 2.89Å; N962-D966 PolarHBondContact O-N 3.12Å
963L34Very low38.3Very low121 Ų121101.8 Ų101.863%0.63456%0.561SS**Hα-helixtrans-52.4-31.8170.2-176.964.5000112.4L961 I967L961-L963 PolarHBondContact O-N 3.03Å; L963-I967 HydrophobicContact CG-CD1 4.13Å; L963-I967 VanDerWaalsContact O-CG1 3.31Å; L963-I967 WeakPolarHBondContact O-CG1 3.03Å; L963-I967 PolarHBondContact O-N 2.9Å
964F36.8Very low39Very low89 Ų8999 Ų9939%0.3954%0.538SS..Hα-helixtrans-59.3-43.4171.2-66.1-96.5000112.7K219 N962 I967 N968K219-F964 HydrophobicContact CD-CE1 3.78Å; K219-F964 HydrophobicContact CD-CZ 4.16Å; K219-F964 VanDerWaalsContact NZ-CE1 3.28Å; N962-F964 PolarHBondContact O-N 3.31Å; N962-F964 VanDerWaalsContact O-N 3.14Å; F964-I967 PolarHBondContact O-N 2.85Å; F964-N968 PolarHBondContact O-N 2.88Å
965G44.7Very low40.1Very low40 Ų4092.2 Ų92.241%0.41251%0.512SS..Hα-helixtrans-64.6-43.1-178.900000111.7N962 R969N962-G965 WeakPolarHBondContact O-CA 3.21Å; N962-G965 PolarHBondContact O-N 2.89Å; G965-R969 WeakPolarHBondContact O-CB 3.44Å; G965-R969 PolarHBondContact O-N 3.26Å
966D48.1Very low40.8Very low79 Ų7991.8 Ų91.842%0.42251%0.508SS..Hα-helixtrans-71-29174.5-87.7-33.6000113.1N962 R969 R970N962-D966 PolarHBondContact O-N 3.12Å; D966-R969 IonicContact OD1-CZ 3.79Å; D966-R969 IonicContact OD1-NH1 2.71Å; D966-R969 PolarHBondContact OD1-NH1 3.22Å; D966-R970 WeakPolarHBondContact O-CB 3.48Å; D966-R970 WeakPolarHBondContact O-CD 3.45Å; D966-R970 WeakPolarHBondContact O-CG 3.45Å; D966-R970 PolarHBondContact O-N 3.25Å
967I45.6Very low41.1Very low34 Ų3490.5 Ų90.517%0.17450%0.503CS..Hα-helixtrans-67.3-53.4172.1-71.8166.3000110.8L216 L963 F964 R969 R970 L971L216-I967 HydrophobicContact CD1-CG2 4.43Å; L963-I967 HydrophobicContact CG-CD1 4.13Å; L963-I967 VanDerWaalsContact O-CG1 3.31Å; L963-I967 WeakPolarHBondContact O-CG1 3.03Å; L963-I967 PolarHBondContact O-N 2.9Å; F964-I967 PolarHBondContact O-N 2.85Å; I967-R969 VanDerWaalsContact C-N 3.3Å; I967-R969 PolarHBondContact O-N 2.91Å; I967-R970 PolarHBondContact O-N 3.01Å; I967-L971 HydrophobicContact CG2-CD1 3.91Å; I967-L971 WeakPolarHBondContact O-CB 3.34Å; I967-L971 PolarHBondContact O-N 2.75Å
968N50Low41.4Very low20 Ų2086.6 Ų86.611%0.10750%0.5CS..Hα-helixtrans-64.6-36.9-179.5-70.913.2000111.2I263 D267 F964 G972I263-N968 HydrophobicContact CG2-CB 4.27Å; D267-N968 PolarHBondContact OD1-ND2 2.84Å; F964-N968 PolarHBondContact O-N 2.88Å; N968-G972 PolarHBondContact O-N 3.18Å
969R58.8Low41.4Very low157 Ų15790.2 Ų90.259%0.59251%0.506SS*.Hα-helixtrans-64.3-43.8172.1177.9-177.5172-146.44.2112.8G965 D966 I967 G972 M973G965-R969 WeakPolarHBondContact O-CB 3.44Å; G965-R969 PolarHBondContact O-N 3.26Å; D966-R969 IonicContact OD1-CZ 3.79Å; D966-R969 IonicContact OD1-NH1 2.71Å; D966-R969 PolarHBondContact OD1-NH1 3.22Å; I967-R969 VanDerWaalsContact C-N 3.3Å; I967-R969 PolarHBondContact O-N 2.91Å; R969-G972 PolarHBondContact O-N 3.06Å; R969-M973 HydrophobicContact CG-SD 3.98Å; R969-M973 WeakPolarHBondContact O-CB 3.3Å; R969-M973 VanDerWaalsContact O-CG 3.24Å; R969-M973 WeakPolarHBondContact O-CG 3.26Å; R969-M973 PolarHBondContact O-N 3.27Å
970R57.6Low41.8Very low107 Ų10792.3 Ų92.340%0.40451%0.51SS..Hα-helixtrans-67.3-44.7179-76.6171.169.7-112.8-10.8111E212 D966 I967 M973 M974E212-R970 IonicContact OE1-CZ 3.19Å; E212-R970 IonicContact OE1-NH1 3.96Å; E212-R970 PolarHBondContact OE1-NH1 2.95Å; E212-R970 IonicContact OE1-NH2 2.96Å; E212-R970 PolarHBondContact OE1-NH2 2.87Å; E212-R970 IonicContact OE2-CZ 3.69Å; E212-R970 IonicContact OE2-NH1 2.72Å; E212-R970 PolarHBondContact OE2-NH1 2.92Å; E212-R970 IonicContact OE2-NH2 3.25Å; D966-R970 WeakPolarHBondContact O-CB 3.48Å; D966-R970 WeakPolarHBondContact O-CD 3.45Å; D966-R970 WeakPolarHBondContact O-CG 3.45Å; D966-R970 PolarHBondContact O-N 3.25Å; I967-R970 PolarHBondContact O-N 3.01Å; R970-M973 PolarHBondContact O-N 2.67Å; R970-M974 HydrophobicContact CB-CE 4.22Å; R970-M974 WeakPolarHBondContact O-CB 3.39Å; R970-M974 VanDerWaalsContact O-CG 3.24Å; R970-M974 WeakPolarHBondContact O-CG 3.12Å; R970-M974 PolarHBondContact O-N 3.08Å
971L50.6Low41.8Very low4 Ų495.6 Ų95.62%0.02152%0.52CS..Hα-helixtrans-58.4-46.8171.5-80.8162.7000112V213 L216 I259 I263 I967 M973 M974 I975V213-L971 HydrophobicContact CG2-CD2 4.3Å; L216-L971 HydrophobicContact CD2-CD1 4.07Å; I259-L971 HydrophobicContact CD1-CD2 3.77Å; I259-L971 HydrophobicContact CG1-CD2 4.49Å; I263-L971 HydrophobicContact CD1-CB 3.8Å; I263-L971 HydrophobicContact CG1-CB 4.29Å; I967-L971 HydrophobicContact CG2-CD1 3.91Å; I967-L971 WeakPolarHBondContact O-CB 3.34Å; I967-L971 PolarHBondContact O-N 2.75Å; L971-M973 PolarHBondContact O-N 3.2Å; L971-M974 PolarHBondContact O-N 3.35Å; L971-I975 WeakPolarHBondContact O-CG1 3.23Å; L971-I975 PolarHBondContact O-N 2.72Å
972G51.2Low41.9Very low35 Ų3593.8 Ų93.836%0.36152%0.52SS..Hα-helixtrans-60.1-43.2175.700000113.3N968 R969 I975N968-G972 PolarHBondContact O-N 3.18Å; R969-G972 PolarHBondContact O-N 3.06Å; G972-I975 PolarHBondContact O-N 2.87Å
973M54.1Low41.6Very low122 Ų12297.6 Ų97.660%0.60153%0.532SS*.Hα-helixtrans-66.9-35.1175.6-73.7177.165.700112.6R969 R970 L971 I975 A976R969-M973 HydrophobicContact CG-SD 3.98Å; R969-M973 WeakPolarHBondContact O-CB 3.3Å; R969-M973 VanDerWaalsContact O-CG 3.24Å; R969-M973 WeakPolarHBondContact O-CG 3.26Å; R969-M973 PolarHBondContact O-N 3.27Å; R970-M973 PolarHBondContact O-N 2.67Å; L971-M973 PolarHBondContact O-N 3.2Å; M973-I975 PolarHBondContact O-N 3.45Å; M973-A976 PolarHBondContact O-N 2.67Å; M973-A976 VanDerWaalsContact O-N 3.12Å
974M44.1Very low41.2Very low55 Ų5599.8 Ų99.827%0.27154%0.539SS..Hα-helixtrans-70.6-15.9176.5-71.2173.9-160.100113.7E209 R239 R970 L971 A976E209-M974 HydrophobicContact CG-SD 3.53Å; E209-M974 VanDerWaalsContact CG-SD 3.53Å; R239-M974 PolarHBondContact NH2-O 2.63Å; R970-M974 HydrophobicContact CB-CE 4.22Å; R970-M974 WeakPolarHBondContact O-CB 3.39Å; R970-M974 VanDerWaalsContact O-CG 3.24Å; R970-M974 WeakPolarHBondContact O-CG 3.12Å; R970-M974 PolarHBondContact O-N 3.08Å; L971-M974 PolarHBondContact O-N 3.35Å; M974-A976 VanDerWaalsContact C-N 3.33Å
975I46.4Very low40.8Very low63 Ų63103.8 Ų103.832%0.32357%0.565SS.*Hα-helixtrans-76.4-24.4171.2-63.7163.1000110.8I259 K260 I263 L971 G972 M973 G977I259-I975 HydrophobicContact CG2-CD1 3.81Å; I259-I975 HydrophobicContact CG2-CG1 3.83Å; K260-I975 HydrophobicContact CG-CD1 3.92Å; I263-I975 HydrophobicContact CD1-CD1 3.68Å; L971-I975 WeakPolarHBondContact O-CG1 3.23Å; L971-I975 PolarHBondContact O-N 2.72Å; G972-I975 PolarHBondContact O-N 2.87Å; M973-I975 PolarHBondContact O-N 3.45Å; I975-G977 PolarHBondContact O-N 2.98Å
976A41.1Very low40.1Very low87 Ų87104.4 Ų104.472%0.71957%0.571SS**SBendtrans-89.161.5179.500000112.9M973 M974M973-A976 PolarHBondContact O-N 2.67Å; M973-A976 VanDerWaalsContact O-N 3.12Å; M974-A976 VanDerWaalsContact C-N 3.33Å
977G33.7Very low39.2Very low60 Ų60110 Ų11062%0.61959%0.592SS**  trans-81.3138.2-175.300000116.4I975I975-G977 PolarHBondContact O-N 2.98Å
978N30.8Very low38.6Very low164 Ų164116.1 Ų116.188%0.87762%0.617SS**  trans72.267.4158.8-69.93.4000121
979K27.7Very low37.8Very low203 Ų203121.2 Ų121.288%0.88364%0.644SS**  trans-147.2129.8131.7-79.9-166-176.4178.60107
980T32.9Very low36.4Very low130 Ų130119.9 Ų119.980%0.79865%0.649SS**  cis-145.1159.55.335.70000111.1
981N27.4Very low35.1Very low161 Ų161123.3 Ų123.386%0.86167%0.667SS**  trans-64.4143.8162.4-75.6-21.8000111.5
982C30.1Very low34.2Very low131 Ų131131.4 Ų131.489%0.88570%0.702SS**  trans-165.8116.4137-125.30000111.6
983F27.1Very low33.2Very low187 Ų187137.5 Ų137.582%0.8272%0.721SS**  trans-109.2134.8163-110.2-94.4000108.8
984Q26.6Very low32Very low167 Ų167138.8 Ų138.878%0.7873%0.73SS**  trans47.2109.4156.6-68.5174.31.600120
985N29.2Very low31.5Very low174 Ų174144.7 Ų144.793%0.9376%0.76SS**  -133.5149.7121.7-89-42000107.7
986G29.1Very low30.7Very low52 Ų52149.1 Ų149.154%0.53678%0.784SS.*  cis144.186.5-800000113.6
987F30.1Very low30.8Very low198 Ų198149.9 Ų149.987%0.86878%0.781SS**  trans68159.9167.8-59.4-66.1000116.4
988K31.7Very low30.7Very low162 Ų162152.6 Ų152.670%0.70479%0.786SS**  cis-153.6147.80.8-131.2158.2-168177.60113.3
989N32.6Very low30.8Very low126 Ų126150.2 Ų150.267%0.67478%0.778SS**  trans56.6101.7146.4-67.54.4000123.5
990N30.4Very low30.9Very low129 Ų129147.2 Ų147.269%0.6977%0.771SS**  56.7127.1102.6-64.90.3000123.6
991F29.8Very low30.9Very low180 Ų180146 Ų14679%0.78976%0.764SS**  trans70.2142.5153.4-64.7-55.6000117.6
992K31.3Very low31Very low174 Ų174146 Ų14676%0.75776%0.764SS**  cis-147.6171.53.3-146.9153.9-176.8177.20111.8
993E30.1Very low31Very low162 Ų162142.7 Ų142.776%0.75775%0.752SS**  trans-63.9129.8-179.8-55.4153.1120.100112.6
994N30.9Very low31.1Very low149 Ų149139 Ų13980%0.79775%0.749SS**  175.6178.7105.6-95-72.5000112.2
995M32.2Very low31.3Very low180 Ų180138.2 Ų138.289%0.88775%0.745SS**  trans-49.9151.3-175.6-64.7-75.5-174.600116
996D30.6Very low31.2Very low155 Ų155136.8 Ų136.883%0.82973%0.733SS**  trans-47166169.7-85.5-58.3000116.7
997P42.2Very low31.2Very low103 Ų103140.9 Ų140.967%0.66974%0.738SS**  cis-135.4-172.8424.70.5000115.9
998T32Very low31.1Very low117 Ų117139.3 Ų139.372%0.71873%0.731SS**  trans116.790.4146.865.80000121.1
999T32.8Very low30.9Very low114 Ų114138 Ų13870%0.69973%0.731SS**  58.3123.8127.357.50000124.3
1000N30.8Very low30.7Very low140 Ų140137.4 Ų137.475%0.74973%0.728SS**  trans72.4151.7132.2-60.56.9000119.8
1001T33Very low30.7Very low105 Ų105138.5 Ų138.564%0.64473%0.727SS**  cis-167.3147.4-14.223.10000108.8
1002D29.5Very low30.7Very low162 Ų162137 Ų13787%0.86672%0.722SS**  trans56.3160.5158.1-49.2-32.5000119.6
1003G29.7Very low30.7Very low61 Ų61134.5 Ų134.563%0.62972%0.717SS**  cis172.7147.1-15.500000115
1004S29.2Very low30.7Very low108 Ų108134 Ų13476%0.75571%0.714SS**  trans79.9156.9142.780.90000124.7
1005H30.5Very low30.6Very low151 Ų151132.6 Ų132.670%0.69971%0.707SS**  trans69.2117.7158.1-73.4-72.2000120.5
1006Q27.3Very low30.6Very low145 Ų145130.5 Ų130.568%0.67870%0.699SS**  81.3149.589.4-89.9-176.3-2800115.1
1007Q27.6Very low30.5Very low138 Ų138129.8 Ų129.865%0.64569%0.691SS**  cis-170.1-165.9-12.5-157.3170.95.100109.2
1008F29.5Very low30Very low164 Ų164131.7 Ų131.772%0.71970%0.695SS**  trans81.7118.2169.3-63.3-87000117.9
1009L27.9Very low29.9Very low136 Ų136129.9 Ų129.971%0.71270%0.7SS**  74.6143.882.2-65.5-160.5000114
1010N28Very low29.7Very low112 Ų112132.1 Ų132.160%0.59970%0.702SS**  cis-166.2157.81.3-130.4-12.5000112.2
1011K29.5Very low29.7Very low153 Ų153134 Ų13467%0.66570%0.704SS**  trans58.7167.7149.4-72.8164.2168.6-94.10117.8
1012E30.8Very low29.6Very low148 Ų148136.1 Ų136.169%0.69271%0.71SS**  cis-160.9170.8-12-109.8150.9-175.400105.1
1013D30.3Very low29.7Very low122 Ų122135.5 Ų135.565%0.65271%0.706SS**  cis164.2143-29.6-166.231.9000105.5
1014Q30.6Very low29.7Very low150 Ų150136.8 Ų136.870%0.70171%0.706SS**  trans67161.5164.2-64.2179.456.200119.6
1015N28.2Very low29.8Very low120 Ų120140.3 Ų140.364%0.64271%0.711SS**  cis-167.5169.5-18.1-113.6-28.1000113
1016L31.6Very low29.8Very low137 Ų137142.9 Ų142.972%0.71772%0.72SS**  trans63.3162.5157.6-91.578.8000119.3
1017E30.6Very low30.6Very low140 Ų140141.6 Ų141.665%0.65472%0.724SS**  cis-171.5155.7-36.9-125-177.2-146.500110.8
1018N30.9Very low30.9Very low143 Ų143140.1 Ų140.177%0.76573%0.729SS**  trans56.2145.8159.6-46.8-35000118.3
1019G28.8Very low30.9Very low79 Ų79138.9 Ų138.981%0.81474%0.735SS**  cis115.1143.632.300000108.7
1020E29.1Very low31.6Very low161 Ų161137.6 Ų137.675%0.75274%0.735SS**  cis-170.4166.3-7.9-158.3-179-15800109
1021F30.7Very low32Very low180 Ų180139.1 Ų139.179%0.78975%0.748SS**  trans65.4158.9165-78.4-72.5000118.7
1022I32.3Very low32.1Very low148 Ų148134.9 Ų134.976%0.75975%0.748SS**  cis-141.5159.312.8-69.7-173.3000111.9
1023D30.1Very low32.3Very low149 Ų149136.2 Ų136.280%0.79775%0.753SS**  trans-16167.5157.4-82.3-26.2000122.6
1024S30.4Very low32.3Very low89 Ų89140 Ų14062%0.62276%0.759SS**  cis-176.4-176.7-17.160.10000112.9
1025Q31.8Very low32.4Very low182 Ų182142.5 Ų142.585%0.8576%0.762SS**  trans110.7155.2157-52.4-155.38.700120.9
1026F29.5Very low32.4Very low204 Ų204142.9 Ų142.990%0.89576%0.763SS**  trans-110.2-179.8-165.6-89.4-85.9000111.2
1027P43.8Very low32.2Very low118 Ų118146.4 Ų146.477%0.76677%0.767SS**  cis-138.9-16528.745.2-23.6000114.6
1028S33.6Very low32.2Very low107 Ų107150.6 Ų150.675%0.74878%0.777SS**  cis-160.4-177.320.2560000112.5
1029V30.5Very low32.1Very low138 Ų138151.1 Ų151.184%0.83678%0.779SS**  trans-140.7140.9-175.4-172.90000113.3
1030P42.5Very low32.7Very low109 Ų109152.6 Ų152.671%0.70878%0.775SS**  -139.8169.4129.437.9-24.6000111.6
1031T36.8Very low32.7Very low145 Ų145156 Ų15689%0.8978%0.78SS**  cis-163.5173.9-13.221.40000106.6
1032G31.7Very low32.7Very low63 Ų63158.7 Ų158.765%0.64979%0.785SS**  cis173.3123.8-4.400000113.3
1033H33.7Very low32.5Very low176 Ų176155.4 Ų155.482%0.81578%0.776SS**  trans63.9120.1151.6-64-36.1000125.6
1034R31.9Very low32.3Very low203 Ų203154.6 Ų154.677%0.76677%0.771SS**  93.4122.9121.4-79.7178.4176.3-1791.5123.4
1035R31.5Very low32.5Very low202 Ų202160.3 Ų160.376%0.76278%0.781SS**  96111.7129.6-78.5-179.2169.5-166.4-1.9122.9
1036L29.1Very low32.3Very low127 Ų127156 Ų15667%0.66577%0.771SS**  76.1112.8121.8-66.4170.8000123.7
1037R27Very low32.4Very low212 Ų212152.2 Ų152.280%0.876%0.764SS**  67.1135.8125.5-82.3-174.2170.6175.7-3.7122.8
1038R30.4Very low31.9Very low228 Ų228151.5 Ų151.586%0.8676%0.758SS**  trans100.7126.3144.4-79.6172.4171.3169.1-4.8120.5
1039N28.7Very low31.8Very low154 Ų154153.2 Ų153.282%0.82476%0.759SS**  trans-57.1170.2153.8-64.9-10.7000111.6
1040P41.4Very low31.8Very low110 Ų110157.1 Ų157.171%0.71476%0.759SS**  cis-158.3175.431.945.1-23.2000122
1041R29.1Very low31.2Very low231 Ų231156 Ų15687%0.87275%0.754SS**  trans73.1144.5140.7-86.2171.5177-177.9-1.3123.4
1042R30.2Very low30.8Very low237 Ų237156.3 Ų156.389%0.89475%0.75SS**  trans72153.7155-80.1-170.8169.9-178.9-4.7118.6
1043S28.3Very low30.6Very low80 Ų80159.4 Ų159.456%0.55976%0.756SS**  cis-176.9156.4-25.949.50000112.2
1044N27.6Very low30.4Very low131 Ų131156.8 Ų156.870%0.70175%0.753SS**  trans75.2153.9171.2-48.9-9000114.4
1045Y32.6Very low30.2Very low209 Ų209154.7 Ų154.782%0.8276%0.755SS**  cis-140.4172.526.4-93.3-91.8000115.6
1046S28.9Very low30.1Very low92 Ų92152.1 Ų152.164%0.64376%0.762SS**  trans-43.1163.3163.753.20000116.6
1047T31Very low29.9Very low124 Ų124150.9 Ų150.976%0.76176%0.764SS**  cis-161.4-164.677.20000108.3
1048T32.8Very low30.1Very low103 Ų103150.1 Ų150.163%0.63277%0.769SS**  cis-165.2155.114.4-14.20000110.5
1049N31.5Very low29.9Very low143 Ų143147.5 Ų147.577%0.76577%0.766SS**  trans58.2151.3152.5-67.8-13.3000121
1050R30.5Very low29.8Very low221 Ų221145.4 Ų145.483%0.83476%0.764SS**  cis-167.4149.7-28.2-159.4177.7-169.7176.43109.4
1051S30.6Very low29.3Very low86 Ų86149.9 Ų149.960%0.60177%0.772SS**  trans55.8100.2155.2550000122.3
1052D27.8Very low29.3Very low150 Ų150143.3 Ų143.380%0.80276%0.762SS**  75.5148.8112.6-54.7-44.5000125.8
1053T28.8Very low29.2Very low128 Ų128138.4 Ų138.479%0.78575%0.753SS**  trans91.4138.9153.6230000123.7
1054T29.3Very low29.2Very low122 Ų122140.3 Ų140.375%0.74876%0.757SS**  trans67.379.3157.845.20000121.2
1055I27.5Very low29.3Very low159 Ų159139.9 Ų139.982%0.81576%0.755SS**  28.1115114-51.8169.2000117.5
1056T28.9Very low29.2Very low148 Ų148136.9 Ų136.991%0.90875%0.753SS**  -149.7151.4128.237.80000109.3
1057S26Very low29.3Very low101 Ų101138.6 Ų138.671%0.70676%0.755SS**  trans-130.4135.3-178.355.40000110.9
1058H30.7Very low29.3Very low195 Ų195139.1 Ų139.190%0.90375%0.753SS**  trans-155.7153156.6-105.1-65.5000111.6
1059E26.1Very low29.3Very low173 Ų173139.3 Ų139.381%0.80875%0.75SS**  trans-111.7-166.9-165-54164.3100.900112.7
1060S27.1Very low29.3Very low110 Ų110142 Ų14277%0.76975%0.75SS**  trans87.9146170.1-26.70000115.2
1061K31.2Very low29.3Very low204 Ų204136.2 Ų136.289%0.88774%0.743SS**  cis-138.6161.815.5-71178177-179.30113.4
1062S27.2Very low29.4Very low93 Ų93141.7 Ų141.765%0.6576%0.756SS**  trans-82.1165.5161.2560000112.8
1063N29.6Very low29.4Very low135 Ų135141.8 Ų141.872%0.72276%0.762SS**  trans172.2124130.4-87.212.7000108.5
1064N28.6Very low29.4Very low120 Ų120139.4 Ų139.464%0.64276%0.763SS**  66.913489.6-6759.7000113.4
1065D28.7Very low29.3Very low122 Ų122141.1 Ų141.165%0.65277%0.768SS**  cis-164.8175.2-1-95.6-23.5000111.2
1066N30.9Very low29.2Very low145 Ų145137.4 Ų137.478%0.77576%0.755SS**  trans75.7151.6157.9-59-23.5000121.1
1067D31.1Very low29Very low128 Ų128136.7 Ų136.768%0.68475%0.746SS**  cis-167.5168.9-41-143.7-20.6000112.1
1068N31.1Very low29.1Very low136 Ų136140 Ų14073%0.72776%0.756SS**  trans68146173.2-52.8-65.6000115.6
1069D31.6Very low28.8Very low107 Ų107136.9 Ų136.957%0.57275%0.745SS**  cis-166.6177.69.1-133.8-37.5000108
1070R31.8Very low28.7Very low198 Ų198135.8 Ų135.875%0.74775%0.745SS**  cis-155136.8-3-167.8159.9-77.8-171.11.6112.4
1071S30.7Very low28.6Very low100 Ų100137.8 Ų137.870%0.69975%0.747SS**  trans49.7121.6155.370.70000123.1
1072K32.2Very low28.4Very low201 Ų201135 Ų13587%0.87474%0.742SS**  -170.8111.4102.9-109.5-179.2178.5177.30115.4
1073V29.1Very low28.4Very low153 Ų153136.1 Ų136.193%0.92775%0.745SS**  trans15.7122146.5-170.90000119.8
1074G28.6Very low28.3Very low78 Ų78136.9 Ų136.980%0.80475%0.749SS**  trans-174.4135.8159.200000110
1075N26.6Very low28.3Very low158 Ų158137.7 Ų137.785%0.84575%0.752SS**  trans-126.2162.6-162.3-161.714.5000114.7
1076S24.6Very low28.2Very low80 Ų80137 Ų13756%0.55975%0.752SS**  trans86.8118.1154-56.70000120.7
1077N25.5Very low28.1Very low134 Ų134135.4 Ų135.472%0.71774%0.74SS**  trans64.2117.1132.5-57.5-11.6000120.8
1078N27.9Very low27.7Very low170 Ų170133.2 Ų133.291%0.90973%0.732SS**  trans-141.4116.1138.4-125.6-30.1000109.6
1079L25.2Very low27.6Very low129 Ų129130.2 Ų130.268%0.67573%0.734SS**  trans-91145179.2-86.277.2000111.3
1080N24.5Very low27.4Very low150 Ų150133 Ų13380%0.80274%0.744SS**  trans15106.1150.5-61.4-4.9000117.5
1081N24.6Very low27.1Very low152 Ų152131.1 Ų131.181%0.81375%0.745SS**  trans-132.849.5152.7-89-77.7000110.3V1083N1081-V1083 PolarHBondContact O-N 3.38Å
1082N27.1Very low27Very low147 Ų147130.2 Ų130.279%0.78673%0.732SS**  trans-75.8121.4163.8-83.25.6000108.6
1083V26Very low26.7Very low116 Ų116127 Ų12770%0.70372%0.722SS**  trans-92.797.2169.9178.40000106.5N1081 L1085N1081-V1083 PolarHBondContact O-N 3.38Å; V1083-L1085 WeakPolarHBondContact O-CD1 3.44Å; V1083-L1085 PolarHBondContact O-N 2.84Å
1084D27.1Very low26.7Very low151 Ų151121.1 Ų121.181%0.80769%0.686SS**PPolyproline II helixtrans-64.7117.3172.5-67.8-42.6000108.9
1085L29.9Very low26.7Very low137 Ų137122.4 Ų122.472%0.71767%0.666SS**PPolyproline II helixtrans-86.6149.7-173.3-69.2120.1000111.3V1083 Q1087V1083-L1085 WeakPolarHBondContact O-CD1 3.44Å; V1083-L1085 PolarHBondContact O-N 2.84Å; L1085-Q1087 PolarHBondContact O-N 2.7Å
1086V27.3Very low26.9Very low106 Ų106117.4 Ų117.464%0.64264%0.635SS**PPolyproline II helixtrans-58.6129.6159177.70000107.7
1087Q27Very low27Very low113 Ų113119.8 Ų119.853%0.52864%0.636SS.*PPolyproline II helixtrans-65.8131.2-174.1-68.4-169.6-10.800111.3L1085 G1089L1085-Q1087 PolarHBondContact O-N 2.7Å; Q1087-G1089 PolarHBondContact O-N 2.81Å
1088P24.2Very low27.3Very low81 Ų81119.1 Ų119.153%0.52662%0.624SS.*THydrogen-bonded Turntrans-67.1118.3166.728.9-32000108.4
1089G27.5Very low27.3Very low74 Ų74119.4 Ų119.476%0.76362%0.62SS**THydrogen-bonded Turntrans170.6-23.8-17800000116.4Q1087 M1091Q1087-G1089 PolarHBondContact O-N 2.81Å; G1089-M1091 PolarHBondContact O-N 3.48Å
1090Q27.8Very low27.3Very low166 Ų166120.5 Ų120.578%0.77663%0.627SS**  trans-80.9116.4170.8-77.4-176.1-51.600110.9I1092Q1090-I1092 PolarHBondContact O-N 3.46Å
1091M25.2Very low27.5Very low158 Ų158120.7 Ų120.778%0.77863%0.627SS**  trans-8393175.4-151.6172.58800109.7G1089 M1093G1089-M1091 PolarHBondContact O-N 3.48Å; M1091-M1093 HydrophobicContact CE-CG 4.16Å; M1091-M1093 HydrophobicContact CE-SD 4.38Å; M1091-M1093 PolarHBondContact O-N 2.83Å; M1091-M1093 VanDerWaalsContact O-N 3.13Å
1092I30.2Very low27.6Very low80 Ų80118.5 Ų118.541%0.4162%0.62SS.*  trans-80.892.6179.9-50.5179.3000109.4Q1090 V1094 L1265Q1090-I1092 PolarHBondContact O-N 3.46Å; I1092-V1094 VanDerWaalsContact C-N 3.35Å; I1092-V1094 HydrophobicContact CG2-CG2 3.96Å; I1092-V1094 PolarHBondContact O-N 3.13Å; I1092-L1265 HydrophobicContact CG2-CD2 4.41Å
1093M25.3Very low27.6Very low135 Ų135117.5 Ų117.567%0.66562%0.621SS**  trans-71.486.2171-71.8-136-71.700111.4M1091 R1095M1091-M1093 HydrophobicContact CE-CG 4.16Å; M1091-M1093 HydrophobicContact CE-SD 4.38Å; M1091-M1093 PolarHBondContact O-N 2.83Å; M1091-M1093 VanDerWaalsContact O-N 3.13Å; M1093-R1095 PolarHBondContact O-N 3.31Å
1094V29.5Very low27.8Very low28 Ų28120.2 Ų120.217%0.1763%0.626CS.*  trans-80.5108.9161.7-179.10000108.1I1092 W1096 L1265I1092-V1094 VanDerWaalsContact C-N 3.35Å; I1092-V1094 HydrophobicContact CG2-CG2 3.96Å; I1092-V1094 PolarHBondContact O-N 3.13Å; V1094-W1096 HydrophobicContact CB-CZ2 4.12Å; V1094-W1096 HydrophobicContact CG1-CD2 4.47Å; V1094-W1096 HydrophobicContact CG1-CH2 4.15Å; V1094-W1096 HydrophobicContact CG1-CZ2 3.96Å; V1094-W1096 HydrophobicContact CG1-CZ3 4.48Å; V1094-W1096 VanDerWaalsContact O-CD1 3.24Å; V1094-W1096 PolarHBondContact O-N 2.69Å; V1094-W1096 PolarHBondContact O-NE1 3.43Å; V1094-W1096 VanDerWaalsContact O-NE1 3.11Å; V1094-L1265 HydrophobicContact CG2-CD2 3.66Å; V1094-L1265 HydrophobicContact CG2-CG 4.14Å
1095R27Very low27.8Very low105 Ų105121.4 Ų121.440%0.39663%0.627SS.*PPolyproline II helixtrans-75.7116.1173.8-162.8171.6-172.7-167.8-0.9110K813 E815 M1093K813-R1095 PolarHBondContact O-NH1 3.15Å; E815-R1095 PolarHBondContact O-NH1 2.97Å; E815-R1095 IonicContact OE2-CZ 2.7Å; E815-R1095 IonicContact OE2-NH1 3.57Å; E815-R1095 PolarHBondContact OE2-NH1 3.12Å; E815-R1095 IonicContact OE2-NH2 3.51Å; E815-R1095 PolarHBondContact OE2-NH2 3.38Å; M1093-R1095 PolarHBondContact O-N 3.31Å
1096W31.9Very low27.7Very low53 Ų53121.5 Ų121.520%0.20163%0.633CS.*PPolyproline II helixtrans-77.3146.6179.5-57.898.4000111V1094 Y1255 G1261 L1265V1094-W1096 HydrophobicContact CB-CZ2 4.12Å; V1094-W1096 HydrophobicContact CG1-CD2 4.47Å; V1094-W1096 HydrophobicContact CG1-CH2 4.15Å; V1094-W1096 HydrophobicContact CG1-CZ2 3.96Å; V1094-W1096 HydrophobicContact CG1-CZ3 4.48Å; V1094-W1096 VanDerWaalsContact O-CD1 3.24Å; V1094-W1096 PolarHBondContact O-N 2.69Å; V1094-W1096 PolarHBondContact O-NE1 3.43Å; V1094-W1096 VanDerWaalsContact O-NE1 3.11Å; W1096-Y1255 AromaticContact CD1-CE1 3.97Å; W1096-Y1255 AromaticContact CD2-CE1 3.94Å; W1096-Y1255 HydrophobicContact CD2-CE1 3.94Å; W1096-Y1255 AromaticContact CE2-CE1 3.7Å; W1096-Y1255 HydrophobicContact CG-CE1 4.16Å; W1096-Y1255 HydrophobicContact CZ2-CD1 4.25Å; W1096-Y1255 HydrophobicContact CZ2-CE1 4.2Å; W1096-Y1255 AromaticContact NE1-CE1 3.69Å; W1096-G1261 VanDerWaalsContact CH2-O 3.25Å; W1096-G1261 WeakPolarHBondContact CH2-O 3.29Å; W1096-G1261 WeakPolarHBondContact CZ3-O 3.46Å; W1096-L1265 HydrophobicContact CH2-CD1 4.21Å; W1096-L1265 HydrophobicContact CZ2-CD1 4.29Å
1097K27.4Very low27.6Very low131 Ų131121.9 Ų121.957%0.5764%0.636SS**PPolyproline II helixtrans-101.9136.4161.6-85.9-164.7170.7-166.60108.4K811K811-K1097 WeakPolarHBondContact O-CE 3.15Å; K811-K1097 PolarHBondContact O-NZ 3.26Å
1098Y30.6Very low27.7Very low119 Ų119122.1 Ų122.147%0.46765%0.645SS.*PPolyproline II helixtrans-90.3141.3157.6-60.4-86.8000107.8R1245Y1098-R1245 PolarHBondContact OH-NH2 3.31Å
1099E28.4Very low28Very low177 Ų177123.8 Ų123.883%0.82765%0.654SS**  trans-107.1102169.9-71.9-179.5150.200107.1D1101E1099-D1101 VanDerWaalsContact C-N 3.26Å; E1099-D1101 PolarHBondContact O-N 2.96Å
1100D25Very low27.9Very low152 Ų152126.3 Ų126.381%0.81366%0.655SS**  trans-77.669.6-179.2-72.9-47.9000111.6T1102D1100-T1102 PolarHBondContact O-N 2.68Å
1101D28Very low28.1Very low153 Ų153124.6 Ų124.682%0.81866%0.656SS**  trans-95.775.6171.5-99.3-33.6000111.4E1099E1099-D1101 VanDerWaalsContact C-N 3.26Å; E1099-D1101 PolarHBondContact O-N 2.96Å
1102T26.9Very low28.4Very low107 Ų107122.4 Ų122.466%0.65665%0.652SS**  trans-74.8120.8162.446.90000110D1100 H1104D1100-T1102 PolarHBondContact O-N 2.68Å; T1102-H1104 PolarHBondContact O-N 3.26Å
1103P27.3Very low28.4Very low125 Ų125124.9 Ų124.981%0.81267%0.67SS**  trans-74.3102.1-171.328.8-35.2000112.1Q1105P1103-Q1105 PolarHBondContact O-N 2.96Å
1104H30.2Very low28.5Very low174 Ų174123.1 Ų123.181%0.80667%0.672SS**  trans-68.5125.2171.7-88.5-63.2000111.7T1102 T1106T1102-H1104 PolarHBondContact O-N 3.26Å; H1104-T1106 PolarHBondContact O-N 3.12Å
1105Q26.3Very low28.5Very low175 Ų175127.5 Ų127.582%0.81870%0.699SS**  trans-68.4109.9-176.1-62.2171.4-0.500111.5P1103 T1107P1103-Q1105 PolarHBondContact O-N 2.96Å; Q1105-T1107 PolarHBondContact O-N 3.38Å
1106T28Very low28.5Very low139 Ų139128.2 Ų128.285%0.85371%0.71SS**  trans-88.381.4170.8-550000109.8H1104H1104-T1106 PolarHBondContact O-N 3.12Å
1107T25.4Very low28.5Very low115 Ų115133 Ų13371%0.70674%0.739SS**  trans-99.681.6-174.5-49.30000112.2Q1105Q1105-T1107 PolarHBondContact O-N 3.38Å
1108T30.6Very low28.7Very low117 Ų117131 Ų13172%0.71874%0.738SS**  trans-148.9113.8167.200000114.6
1109T30.1Very low28.7Very low117 Ų117134 Ų13472%0.71876%0.76SS**  trans5383.514552.90000120.5
1110T24.9Very low28.9Very low127 Ų127129.6 Ų129.678%0.77975%0.749SS**  21.2115.511955.80000120.1
1111T32.1Very low29.2Very low129 Ų129132.1 Ų132.179%0.79175%0.752SS**  trans-161.987.5139.912.60000107.6
1112T30.8Very low29.5Very low113 Ų113128.8 Ų128.869%0.69375%0.746SS**  62.7128.398.357.40000116.4
1113T31Very low29.6Very low131 Ų131131.2 Ų131.280%0.80476%0.755SS**  trans62.912016145.60000117.1
1114S27.6Very low29.5Very low99 Ų99130 Ų13069%0.69275%0.748SS**  cis62.4131.120.4-142.70000114
1115T28.9Very low29.5Very low120 Ų120128.6 Ų128.674%0.73674%0.742SS**  cis-137.4-135.4-5.9-17.90000108.5
1116D28.2Very low29.7Very low119 Ų119127.7 Ų127.764%0.63674%0.735SS**  cis-161.3-167.72.8-148.4-83.4000109.9
1117L31.3Very low29.7Very low154 Ų154126.4 Ų126.481%0.80672%0.723SS**  trans94.1135.6155.3-51.2-177.3000121
1118V31.5Very low29.9Very low90 Ų90128.7 Ų128.755%0.54573%0.726SS.*  cis-167145.3-35.6110.80000110.2
1119I30.3Very low29.9Very low181 Ų181129.1 Ų129.193%0.92873%0.734SS**  trans-135.2127138.8-63.7-173.6000106.4
1120S31.7Very low29.7Very low85 Ų85132 Ų13259%0.59474%0.739SS**  trans-148.5153.7-167.158.80000113.8
1121K32.6Very low30Very low205 Ų205132.2 Ų132.289%0.89174%0.735SS**  trans-155.5118.4155.9-91.2169.3-174.5177.10105.2
1122A33.1Very low29.9Very low83 Ų83135 Ų13569%0.68674%0.737SS**  71.6142.651.300000113.1
1123N30.5Very low30Very low157 Ų157137.3 Ų137.384%0.8474%0.743SS**  cis-170.9171.2-11.3-104.60.3000107.7
1124C25.5Very low30Very low99 Ų99140 Ų14067%0.66975%0.746SS**  cis-178.3174.4-27-175.30000107.8
1125E29.6Very low29.9Very low146 Ų146143.4 Ų143.468%0.68275%0.751SS**  trans73.9151.4169.4-45.4-157.7137.900116.2
1126K30Very low30Very low155 Ų155143.5 Ų143.567%0.67475%0.752SS**  cis-165.2172.4-0.7-120.9164.2-158.3153.60107.5
1127N28.6Very low30Very low112 Ų112144.7 Ų144.760%0.59976%0.758SS**  cis-160168.86.7-158.815.9000113.2
1128Q29.2Very low30Very low163 Ų163144.6 Ų144.676%0.76276%0.757SS**  trans6.4136154.6-72.4160.5-13.700124.5
1129S31.2Very low29.9Very low127 Ų127150.2 Ų150.289%0.88877%0.769SS**  179168.5108.342.80000113.3
1130E26.2Very low29.9Very low178 Ų178147.7 Ų147.783%0.83275%0.753SS**  trans-118.8155.1-165.6-51164.4121.700114.1
1131N29.6Very low29.8Very low130 Ų130149.5 Ų149.570%0.69576%0.756SS**  165.5134.8129.1-100.8-90.1000115.9
1132K29.7Very low29.7Very low188 Ų188146 Ų14682%0.81775%0.745SS**  trans61.5155.3151.3-60.2175.7177.2-178.20118.1
1133I33.1Very low29.4Very low162 Ų162147.5 Ų147.583%0.83175%0.747SS**  cis-135.5176.229.1-76.4177.1000112
1134E30.8Very low29.5Very low186 Ų186147.4 Ų147.487%0.86974%0.741SS**  trans-92.7-169.9-160.5-61.7158.311100117.7
1135Q26.5Very low29.8Very low171 Ų171151.3 Ų151.380%0.79975%0.747SS**  trans-109.4179.5-177.1-54.5176-23.600113.2
1136T30.9Very low29.8Very low122 Ų122148.7 Ų148.775%0.74875%0.745SS**  trans69.2158.3154.256.70000120.6
1137L28.4Very low29.8Very low145 Ų145147.7 Ų147.776%0.75975%0.746SS**  cis-167.6146.9-49.7-112.5178.8000110
1138L30.2Very low30Very low151 Ų151147.9 Ų147.979%0.79175%0.747SS**  trans41.3129.2154-80.4163.6000122.9
1139R30.7Very low30.1Very low208 Ų208148.2 Ų148.279%0.78575%0.749SS**  -171133.3121.2-111.8-174.4148.4161.6-7.1116
1140E30.2Very low30Very low128 Ų128147.5 Ų147.560%0.59874%0.744SS**  50.3146.4127.5-75.6-174.8-132.800122.2
1141N28.7Very low29.9Very low123 Ų123143.9 Ų143.966%0.65874%0.739SS**  cis-168.8179.63.1-135.2-35.3000115.2
1142I31.4Very low29.9Very low131 Ų131146.8 Ų146.867%0.67275%0.745SS**  trans87.498.1146-73.5158.5000123.1
1143T27.5Very low30Very low116 Ų116147 Ų14771%0.71275%0.746SS**  trans58.1161.5130.776.90000122.7
1144Q31.7Very low29.5Very low154 Ų154144.5 Ų144.572%0.7274%0.743SS**  cis-145.915125.3-60.4-17524.600116
1145K31.2Very low29.8Very low181 Ų181141 Ų14179%0.78774%0.736SS**  trans45.1144.2135.3-65.7177.4-179178.50121.9
1146S29.1Very low29.9Very low92 Ų92140.9 Ų140.964%0.64374%0.74SS**  cis-170.1-160.7-1351.80000107.5
1147D30.5Very low29.7Very low133 Ų133143.3 Ų143.371%0.71174%0.743SS**  cis-164.1-174.411.1-136.9-52.8000112.5
1148N32.2Very low29.6Very low116 Ų116145.5 Ų145.562%0.6275%0.746SS**  trans7297.4160.4-81.4-29.7000121.7
1149Q31.8Very low29.6Very low171 Ų171147.1 Ų147.180%0.79975%0.75SS**  69.6141.3122.3-68.9-178.358.900120.4
1150S30.3Very low29.5Very low112 Ų112146.7 Ų146.778%0.78376%0.756SS**  cis-156172.8-7.755.80000111
1151S23.8Very low29.3Very low102 Ų102149 Ų14971%0.71377%0.767SS**  trans-119.3147.9-179.955.70000111.7
1152F29.7Very low29.5Very low191 Ų191149.4 Ų149.484%0.83878%0.776SS**  trans-170.4134.5147.1-104.5-52.1000115.4
1153K30.3Very low29.3Very low191 Ų191152.2 Ų152.283%0.8379%0.787SS**  trans70.8149.8152.3-59.5-170.1-177.8178.90120.9
1154S23.2Very low29.2Very low110 Ų110155.4 Ų155.477%0.76979%0.793SS**  trans-111.5-162.9177.751.30000109.6
1155P36.9Very low29.4Very low112 Ų112153.5 Ų153.573%0.72780%0.795SS**  -115.3168.5-83.338.5-26.3000112.2
1156I28.9Very low29.1Very low170 Ų170152.7 Ų152.787%0.87280%0.799SS**  trans-160.6154.2155.9-109150.4000110.6
1157Q26.4Very low29.1Very low173 Ų173153.7 Ų153.781%0.80880%0.804SS**  trans-76.5148-175-56.3139.4-40.900112.7
1158K26.2Very low29Very low191 Ų191156.1 Ų156.183%0.8382%0.816SS**  -169.8145.2118.2-104.8162.2-173.7178.50113.6
1159Q31.2Very low29.1Very low185 Ų185155.1 Ų155.186%0.86482%0.819SS**  trans57.7112.4159.1-70.4169.9-28.500118.2
1160Q28.1Very low29.4Very low198 Ų198152.7 Ų152.793%0.92582%0.818SS**PPolyproline II helixtrans-76.2130.4166.5-67.1161.3-40.700109.9
1161Q26.5Very low30.4Very low178 Ų178156.8 Ų156.883%0.83282%0.821SS**PPolyproline II helixtrans-102.9144.6145.6-74.9-179.7-28.300107.3Q1163Q1161-Q1163 PolarHBondContact O-N 3.35Å
1162P31.7Very low32.3Very low130 Ų130159 Ų15984%0.84481%0.814SS**PPolyproline II helixtrans-67.7123.117927.6-33.3000110.3
1163Q27.7Very low34.9Very low190 Ų190155.6 Ų155.689%0.88881%0.805SS**PPolyproline II helixtrans-76.3135.4173.6-68.5178-43.700109.8Q1161Q1161-Q1163 PolarHBondContact O-N 3.35Å
1164Q26.6Very low37.7Very low183 Ų183147.6 Ų147.686%0.85577%0.769SS**PPolyproline II helixtrans-70142.5167.7-70179.6-35.500109.7
1165P34.3Very low41.1Very low115 Ų115143.2 Ų143.275%0.74774%0.737SS**PPolyproline II helixtrans-79.7121.5177.730.6-32.8000111.6C1167P1165-C1167 PolarHBondContact O-N 3.32Å
1166D24.7Very low43.8Very low163 Ų163137.9 Ų137.987%0.87270%0.702SS**  trans-65.6112.7168.9-82.2-54.8000110.8
1167C30.1Very low46.9Very low113 Ų113129.8 Ų129.876%0.76466%0.661SS**  trans-114.599.6169.2-81.60000111P1165 S1169P1165-C1167 PolarHBondContact O-N 3.32Å; C1167-S1169 PolarHBondContact O-N 2.93Å
1168L29.4Very low50.1Low184 Ų184121.6 Ų121.696%0.96362%0.623SS**  trans-67.786.8178.2-73.7165.4000111.9
1169S32.7Very low53.2Low96 Ų96114 Ų11467%0.67159%0.592SS**  trans-99.4147.7157.861.60000109.9C1167 K1171C1167-S1169 PolarHBondContact O-N 2.93Å; S1169-K1171 PolarHBondContact O-N 3.14Å
1170P39.4Very low55.7Low119 Ų119107.5 Ų107.577%0.77358%0.575SS**  trans-65.4125.4176.826.9-33.4000109.6R1172P1170-R1172 PolarHBondContact O-N 3Å
1171K50.9Low58.5Low198 Ų19899.1 Ų99.186%0.86154%0.536SS*.  trans-53.9109.6178-73.9-170173.9-171.10110.1S1169 N1173S1169-K1171 PolarHBondContact O-N 3.14Å; K1171-N1173 PolarHBondContact O-N 3.47Å
1172R64.3Low61.3Low149 Ų14992.2 Ų92.256%0.56251%0.507SS*.  trans-66.7122.7170.5-67.5-177.4-176.8-178.67.4108P1170 Y1174 E1252P1170-R1172 PolarHBondContact O-N 3Å; R1172-Y1174 HydrophobicContact CB-CD2 4.29Å; R1172-Y1174 HydrophobicContact CB-CE2 3.71Å; R1172-Y1174 WeakPolarHBondContact CD-OH 3.3Å; R1172-Y1174 VanDerWaalsContact O-CD2 3.24Å; R1172-Y1174 WeakPolarHBondContact O-CD2 3.42Å; R1172-Y1174 PolarHBondContact O-N 3.28Å; R1172-Y1174 VanDerWaalsContact O-N 3.17Å; R1172-E1252 IonicContact CZ-OE1 3.74Å; R1172-E1252 IonicContact CZ-OE2 3.75Å; R1172-E1252 IonicContact NH1-OE1 3.73Å; R1172-E1252 PolarHBondContact NH1-OE1 2.96Å; R1172-E1252 IonicContact NH1-OE2 3.74Å; R1172-E1252 PolarHBondContact NH1-OE2 2.81Å
1173N82.8Confident63.9Low119 Ų11992.2 Ų92.264%0.63650%0.5SS*.  trans-77.3101.5172-81.112000109.5K1171 I1175 T1211K1171-N1173 PolarHBondContact O-N 3.47Å; N1173-I1175 PolarHBondContact O-N 3.39Å; N1173-T1211 WeakPolarHBondContact O-CG2 3.43Å; N1173-T1211 PolarHBondContact O-OG1 2.69Å; N1173-T1211 VanDerWaalsContact O-OG1 3.04Å
1174Y90.3Very high66.7Low23 Ų2391 Ų919%0.0949%0.494CS..  trans-77.9108.3171.4-65.5-83000109.1R1172 G1198 E1199 H1212 W1249R1172-Y1174 HydrophobicContact CB-CD2 4.29Å; R1172-Y1174 HydrophobicContact CB-CE2 3.71Å; R1172-Y1174 WeakPolarHBondContact CD-OH 3.3Å; R1172-Y1174 VanDerWaalsContact O-CD2 3.24Å; R1172-Y1174 WeakPolarHBondContact O-CD2 3.42Å; R1172-Y1174 PolarHBondContact O-N 3.28Å; R1172-Y1174 VanDerWaalsContact O-N 3.17Å; Y1174-G1198 CarbonylContact O-C 3.57Å; Y1174-G1198 WeakPolarHBondContact O-CA 3.16Å; Y1174-E1199 PolarHBondContact O-N 3.45Å; Y1174-H1212 AromaticContact CD1-CE1 3.35Å; Y1174-H1212 WeakPolarHBondContact CD1-CE1 3.01Å; Y1174-H1212 AromaticContact CD1-ND1 3.78Å; Y1174-H1212 AromaticContact CE1-CE1 3.62Å; Y1174-H1212 AromaticContact CE1-NE2 3.95Å; Y1174-W1249 HydrophobicContact CD1-CD2 4.03Å; Y1174-W1249 AromaticContact CD1-CE3 3.84Å; Y1174-W1249 HydrophobicContact CD1-CE3 3.84Å; Y1174-W1249 HydrophobicContact CD1-CZ3 4.15Å; Y1174-W1249 AromaticContact CD2-CD1 3.71Å; Y1174-W1249 AromaticContact CD2-CD2 3.55Å; Y1174-W1249 HydrophobicContact CD2-CD2 3.55Å; Y1174-W1249 AromaticContact CD2-CE2 3.47Å; Y1174-W1249 VanDerWaalsContact CD2-CE2 3.47Å; Y1174-W1249 HydrophobicContact CD2-CE3 4.2Å; Y1174-W1249 AromaticContact CD2-CG 3.71Å; Y1174-W1249 HydrophobicContact CD2-CG 3.71Å; Y1174-W1249 HydrophobicContact CD2-CZ2 4.08Å; Y1174-W1249 AromaticContact CD2-NE1 3.57Å; Y1174-W1249 HydrophobicContact CE1-CB 4.41Å; Y1174-W1249 HydrophobicContact CE1-CD2 4.15Å; Y1174-W1249 HydrophobicContact CE1-CE3 4.06Å; Y1174-W1249 HydrophobicContact CE1-CG 4.32Å; Y1174-W1249 HydrophobicContact CE2-CB 3.75Å; Y1174-W1249 AromaticContact CE2-CD1 3.48Å; Y1174-W1249 VanDerWaalsContact CE2-CD1 3.48Å; Y1174-W1249 AromaticContact CE2-CD2 3.64Å; Y1174-W1249 HydrophobicContact CE2-CD2 3.64Å; Y1174-W1249 AromaticContact CE2-CE2 3.98Å; Y1174-W1249 HydrophobicContact CE2-CE3 4.37Å; Y1174-W1249 AromaticContact CE2-CG 3.31Å; Y1174-W1249 HydrophobicContact CE2-CG 3.31Å; Y1174-W1249 AromaticContact CE2-NE1 3.86Å; Y1174-W1249 AromaticContact CG-CD2 3.75Å; Y1174-W1249 HydrophobicContact CG-CD2 3.75Å; Y1174-W1249 AromaticContact CG-CE2 3.75Å; Y1174-W1249 AromaticContact CG-CE3 3.92Å; Y1174-W1249 HydrophobicContact CG-CE3 3.92Å; Y1174-W1249 HydrophobicContact CG-CG 4.34Å; Y1174-W1249 HydrophobicContact CG-CH2 4.16Å; Y1174-W1249 AromaticContact CG-CZ2 3.97Å; Y1174-W1249 HydrophobicContact CG-CZ2 3.97Å; Y1174-W1249 HydrophobicContact CG-CZ3 4.14Å; Y1174-W1249 AromaticContact CZ-CD2 3.94Å; Y1174-W1249 AromaticContact CZ-CG 3.66Å
1175I93.8Very high69.7Low18 Ų1883.7 Ų83.79%0.09246%0.46CS..EExtended strand (participates in β ladder)trans-118.6109.4173.2-57-179.6000105.7N1173 E1199 D1201 K1209 T1210 T1211 H1212N1173-I1175 PolarHBondContact O-N 3.39Å; I1175-E1199 CarbonylContact C-O 3.51Å; I1175-E1199 WeakPolarHBondContact CA-O 3.35Å; I1175-E1199 HydrophobicContact CG1-CB 4.24Å; I1175-E1199 HydrophobicContact CG2-CB 4.48Å; I1175-D1201 HydrophobicContact CG2-CB 4.22Å; I1175-K1209 HydrophobicContact CD1-CB 3.91Å; I1175-T1210 CarbonylContact O-C 3.57Å; I1175-T1210 VanDerWaalsContact O-CG2 3.24Å; I1175-T1210 WeakPolarHBondContact O-CG2 3.43Å; I1175-T1211 PolarHBondContact N-OG1 3.35Å; I1175-T1211 PolarHBondContact O-N 2.8Å; I1175-T1211 PolarHBondContact O-OG1 2.72Å; I1175-H1212 PolarHBondContact O-N 3.38Å
1176I94.2Very high72.4Confident0 Ų081.3 Ų81.30%044%0.436CS..EExtended strand (participates in β ladder)trans-117.3131-162.8-54.6-157.3000110.3F1178 V1193 E1199 V1200 D1201 H1212 I1214 L1240 W1249I1176-F1178 HydrophobicContact CG2-CE1 4.3Å; I1176-F1178 HydrophobicContact CG2-CZ 4.41Å; I1176-V1193 HydrophobicContact CB-CG1 4.33Å; I1176-V1193 HydrophobicContact CB-CG2 4.23Å; I1176-V1193 HydrophobicContact CD1-CG2 4Å; I1176-V1193 HydrophobicContact CG1-CG1 4.33Å; I1176-V1193 HydrophobicContact CG1-CG2 4.41Å; I1176-V1193 HydrophobicContact CG2-CG2 4.38Å; I1176-E1199 PolarHBondContact N-O 3.15Å; I1176-V1200 CarbonylContact O-C 3.49Å; I1176-V1200 WeakPolarHBondContact O-CA 3.35Å; I1176-D1201 PolarHBondContact O-N 3.18Å; I1176-H1212 WeakPolarHBondContact CA-O 3.29Å; I1176-H1212 HydrophobicContact CD1-CB 4.29Å; I1176-H1212 HydrophobicContact CG1-CB 4.11Å; I1176-H1212 HydrophobicContact CG2-CB 4.45Å; I1176-I1214 HydrophobicContact CG2-CD1 4.17Å; I1176-I1214 HydrophobicContact CG2-CG1 3.55Å; I1176-L1240 HydrophobicContact CD1-CD2 4.27Å; I1176-W1249 HydrophobicContact CD1-CH2 3.76Å; I1176-W1249 HydrophobicContact CD1-CZ3 3.59Å
1177S94.3Very high75.5Confident0 Ų078.4 Ų78.40%042%0.42CS..EExtended strand (participates in β ladder)trans-116.1159172.2-155.80000111.8D1201 H1212 L1213 I1214 K1223S1177-D1201 WeakPolarHBondContact CB-O 3.28Å; S1177-D1201 PolarHBondContact OG-O 3.2Å; S1177-H1212 PolarHBondContact N-O 3.01Å; S1177-L1213 WeakPolarHBondContact O-CA 3.24Å; S1177-I1214 PolarHBondContact O-N 3.49Å; S1177-K1223 PolarHBondContact OG-NZ 3.44Å
1178F93.3Very high78.6Confident2 Ų280.2 Ų80.21%0.00941%0.411CS..EExtended strand (participates in β ladder)trans-118.1144.3-175.4-58.7-69000112I1176 L1181 R1186 Y1189 A1190 V1193 V1200 I1214 K1223 L1240I1176-F1178 HydrophobicContact CG2-CE1 4.3Å; I1176-F1178 HydrophobicContact CG2-CZ 4.41Å; F1178-L1181 HydrophobicContact CB-CD1 4.34Å; F1178-L1181 HydrophobicContact CD1-CD1 3.79Å; F1178-L1181 HydrophobicContact CG-CD1 4.43Å; F1178-R1186 HydrophobicContact CB-CG 3.85Å; F1178-R1186 HydrophobicContact CD2-CG 4.45Å; F1178-R1186 HydrophobicContact CG-CG 4.16Å; F1178-Y1189 HydrophobicContact CE1-CG 4.48Å; F1178-A1190 HydrophobicContact CE2-CB 4.34Å; F1178-V1193 HydrophobicContact CZ-CG2 4.3Å; F1178-V1200 HydrophobicContact CD2-CG1 4.13Å; F1178-V1200 HydrophobicContact CE2-CG1 3.67Å; F1178-V1200 HydrophobicContact CE2-CG2 4.4Å; F1178-I1214 HydrophobicContact CD1-CB 3.89Å; F1178-I1214 HydrophobicContact CD1-CG1 4.2Å; F1178-I1214 HydrophobicContact CD1-CG2 4.46Å; F1178-I1214 HydrophobicContact CE1-CB 4.19Å; F1178-I1214 HydrophobicContact CE1-CG1 4.03Å; F1178-K1223 PolarHBondContact O-NZ 2.95Å; F1178-L1240 HydrophobicContact CE1-CD1 3.78Å; F1178-L1240 HydrophobicContact CZ-CD1 4.23Å
1179T90.3Very high81.7Confident31 Ų3171.9 Ų71.919%0.1937%0.367CS..EExtended strand (participates in β ladder)trans-153.3149.1165-160.60000112.3L1181 L1213 I1214 V1215T1179-L1181 VanDerWaalsContact C-N 3.32Å; T1179-L1181 PolarHBondContact O-N 3.37Å; T1179-L1213 HydrophobicContact CG2-CD1 3.98Å; T1179-L1213 HydrophobicContact CG2-CD2 4.31Å; T1179-L1213 HydrophobicContact CG2-CG 4.38Å; T1179-I1214 PolarHBondContact N-O 2.9Å; T1179-I1214 VanDerWaalsContact N-O 3.12Å; T1179-V1215 HydrophobicContact CG2-CG1 3.78Å
1180G84.6Confident84.6Confident48 Ų4868 Ų6850%0.49534%0.341SS..SBendtrans71.518.2-17900000115.8Y1216G1180-Y1216 WeakPolarHBondContact O-CB 3.24Å
1181L86Confident87.1Confident23 Ų2368.6 Ų68.612%0.1233%0.334CS..  trans-111.5156.3176.6-65171.7000110.4F1178 T1179 E1185 R1186 Y1189 I1214 K1237F1178-L1181 HydrophobicContact CB-CD1 4.34Å; F1178-L1181 HydrophobicContact CD1-CD1 3.79Å; F1178-L1181 HydrophobicContact CG-CD1 4.43Å; T1179-L1181 VanDerWaalsContact C-N 3.32Å; T1179-L1181 PolarHBondContact O-N 3.37Å; L1181-E1185 WeakPolarHBondContact CA-OE2 3.4Å; L1181-E1185 HydrophobicContact CB-CB 4.08Å; L1181-E1185 HydrophobicContact CD2-CB 4.5Å; L1181-R1186 HydrophobicContact CB-CG 3.89Å; L1181-Y1189 HydrophobicContact CD1-CD2 4.05Å; L1181-Y1189 HydrophobicContact CD1-CE2 4.46Å; L1181-I1214 HydrophobicContact CD1-CG2 4.23Å; L1181-K1237 HydrophobicContact CD2-CB 4.17Å; L1181-K1237 HydrophobicContact CD2-CD 3.72Å
1182S86.5Confident89.1Confident32 Ų3259.5 Ų59.522%0.22429%0.294CS..  trans-66.3168.3171.889.90000111.8E1184 E1185 R1186S1182-E1184 PolarHBondContact OG-N 3.42Å; S1182-E1185 PolarHBondContact N-OE2 3.42Å; S1182-E1185 WeakPolarHBondContact OG-CG 3.21Å; S1182-E1185 PolarHBondContact OG-N 2.82Å; S1182-R1186 WeakPolarHBondContact O-CB 3.34Å; S1182-R1186 VanDerWaalsContact O-CG 3.29Å; S1182-R1186 WeakPolarHBondContact O-CG 3.39Å; S1182-R1186 PolarHBondContact O-N 3.33Å
1183L85.7Confident90.5Very high131 Ų13152.4 Ų52.469%0.68627%0.267SS*.Hα-helixtrans-62.5-50.1173.3-72.4168.6000110.7E1185 R1186 D1187L1183-E1185 VanDerWaalsContact C-N 3.31Å; L1183-E1185 PolarHBondContact O-N 3.41Å; L1183-R1186 WeakPolarHBondContact O-CB 3.42Å; L1183-R1186 PolarHBondContact O-N 3.48Å; L1183-D1187 VanDerWaalsContact O-CG 3.28Å; L1183-D1187 PolarHBondContact O-N 2.99Å
1184E86.3Confident90.9Very high163 Ų16352.8 Ų52.876%0.76227%0.266SS*.Hα-helixtrans-56.7-40.9177.5-60167.3174.200112.6S1182 R1188S1182-E1184 PolarHBondContact OG-N 3.42Å; E1184-R1188 WeakPolarHBondContact O-CB 3.34Å; E1184-R1188 PolarHBondContact O-N 2.65Å; E1184-R1188 VanDerWaalsContact O-N 3.08Å
1185E90.4Very high90.9Very high31 Ų3159.6 Ų59.615%0.14529%0.291CS..Hα-helixtrans-65-44.4173.7-73.9-178.4124.900111.6L1181 S1182 L1183 D1187 Y1189 K1237L1181-E1185 WeakPolarHBondContact CA-OE2 3.4Å; L1181-E1185 HydrophobicContact CB-CB 4.08Å; L1181-E1185 HydrophobicContact CD2-CB 4.5Å; S1182-E1185 PolarHBondContact N-OE2 3.42Å; S1182-E1185 WeakPolarHBondContact OG-CG 3.21Å; S1182-E1185 PolarHBondContact OG-N 2.82Å; L1183-E1185 VanDerWaalsContact C-N 3.31Å; L1183-E1185 PolarHBondContact O-N 3.41Å; E1185-D1187 PolarHBondContact O-N 3.44Å; E1185-Y1189 HydrophobicContact CB-CD2 4.29Å; E1185-Y1189 HydrophobicContact CB-CE2 4.28Å; E1185-Y1189 WeakPolarHBondContact O-CB 3.33Å; E1185-Y1189 WeakPolarHBondContact O-CD2 3.2Å; E1185-Y1189 PolarHBondContact O-N 3.44Å; E1185-K1237 IonicContact OE1-NZ 2.88Å; E1185-K1237 PolarHBondContact OE1-NZ 2.84Å
1186R90.5Very high90.8Very high64 Ų6460.1 Ų60.124%0.24229%0.294CS..Hα-helixtrans-63.8-40.6179.7-77.8-17661.8-176.8-4.5112.4F1178 L1181 S1182 L1183 Y1189 A1190 N1202F1178-R1186 HydrophobicContact CB-CG 3.85Å; F1178-R1186 HydrophobicContact CD2-CG 4.45Å; F1178-R1186 HydrophobicContact CG-CG 4.16Å; L1181-R1186 HydrophobicContact CB-CG 3.89Å; S1182-R1186 WeakPolarHBondContact O-CB 3.34Å; S1182-R1186 VanDerWaalsContact O-CG 3.29Å; S1182-R1186 WeakPolarHBondContact O-CG 3.39Å; S1182-R1186 PolarHBondContact O-N 3.33Å; L1183-R1186 WeakPolarHBondContact O-CB 3.42Å; L1183-R1186 PolarHBondContact O-N 3.48Å; R1186-Y1189 PolarHBondContact O-N 2.79Å; R1186-A1190 VanDerWaalsContact O-CB 3.29Å; R1186-A1190 WeakPolarHBondContact O-CB 3.15Å; R1186-A1190 PolarHBondContact O-N 2.97Å; R1186-N1202 PolarHBondContact NH2-OD1 3.09Å; R1186-N1202 VanDerWaalsContact NH2-OD1 3.08Å
1187D90.6Very high90.5Very high102 Ų10263.4 Ų63.455%0.54533%0.328SS..Hα-helixtrans-68.9-47-179.8-61-23.5000109.8L1183 E1185 Y1189 A1190 E1191L1183-D1187 VanDerWaalsContact O-CG 3.28Å; L1183-D1187 PolarHBondContact O-N 2.99Å; E1185-D1187 PolarHBondContact O-N 3.44Å; D1187-Y1189 VanDerWaalsContact C-N 3.34Å; D1187-Y1189 PolarHBondContact O-N 3.17Å; D1187-A1190 WeakPolarHBondContact O-CB 3.47Å; D1187-A1190 PolarHBondContact O-N 3.34Å; D1187-A1190 VanDerWaalsContact O-N 3.15Å; D1187-E1191 PolarHBondContact O-N 3.27Å
1188R93.6Very high90.4Very high152 Ų15263.9 Ų63.957%0.57433%0.333SS*.Hα-helixtrans-56.4-43.3172.4178.3-179.3172.8-176-3.1112.8E1184 I1192E1184-R1188 WeakPolarHBondContact O-CB 3.34Å; E1184-R1188 PolarHBondContact O-N 2.65Å; E1184-R1188 VanDerWaalsContact O-N 3.08Å; R1188-I1192 HydrophobicContact CG-CD1 4.37Å; R1188-I1192 WeakPolarHBondContact O-CG1 3.39Å; R1188-I1192 PolarHBondContact O-N 2.78Å
1189Y95.5Very high90.3Very high8 Ų869.4 Ų69.43%0.03136%0.359CS..Hα-helixtrans-75.6-26.9178.9-73.5-53.4000113F1178 L1181 E1185 R1186 D1187 I1192 V1193 K1237 L1240 D1241F1178-Y1189 HydrophobicContact CE1-CG 4.48Å; L1181-Y1189 HydrophobicContact CD1-CD2 4.05Å; L1181-Y1189 HydrophobicContact CD1-CE2 4.46Å; E1185-Y1189 HydrophobicContact CB-CD2 4.29Å; E1185-Y1189 HydrophobicContact CB-CE2 4.28Å; E1185-Y1189 WeakPolarHBondContact O-CB 3.33Å; E1185-Y1189 WeakPolarHBondContact O-CD2 3.2Å; E1185-Y1189 PolarHBondContact O-N 3.44Å; R1186-Y1189 PolarHBondContact O-N 2.79Å; D1187-Y1189 VanDerWaalsContact C-N 3.34Å; D1187-Y1189 PolarHBondContact O-N 3.17Å; Y1189-I1192 HydrophobicContact CD1-CD1 3.9Å; Y1189-I1192 HydrophobicContact CE1-CD1 4.31Å; Y1189-I1192 PolarHBondContact O-N 3.12Å; Y1189-V1193 WeakPolarHBondContact O-CG2 3.27Å; Y1189-V1193 PolarHBondContact O-N 3.44Å; Y1189-K1237 HydrophobicContact CE2-CB 3.9Å; Y1189-K1237 HydrophobicContact CE2-CD 4.13Å; Y1189-K1237 HydrophobicContact CE2-CG 4.39Å; Y1189-L1240 HydrophobicContact CD1-CB 3.51Å; Y1189-L1240 HydrophobicContact CD1-CD1 3.81Å; Y1189-L1240 HydrophobicContact CD1-CG 4.32Å; Y1189-L1240 HydrophobicContact CE1-CB 3.81Å; Y1189-L1240 HydrophobicContact CG-CB 4.48Å; Y1189-L1240 HydrophobicContact CG-CD1 3.99Å; Y1189-D1241 VanDerWaalsContact CE1-OD1 3.27Å; Y1189-D1241 WeakPolarHBondContact CE1-OD1 3.02Å; Y1189-D1241 VanDerWaalsContact OH-CG 3.28Å; Y1189-D1241 PolarHBondContact OH-OD1 3.17Å; Y1189-D1241 PolarHBondContact OH-OD2 3.17Å
1190A93.4Very high90.4Very high16 Ų1669.1 Ų69.113%0.13236%0.357CS..Hα-helixtrans-64.9-47.2171.500000111.2F1178 R1186 D1187 I1192 V1193 E1194 V1200F1178-A1190 HydrophobicContact CE2-CB 4.34Å; R1186-A1190 VanDerWaalsContact O-CB 3.29Å; R1186-A1190 WeakPolarHBondContact O-CB 3.15Å; R1186-A1190 PolarHBondContact O-N 2.97Å; D1187-A1190 WeakPolarHBondContact O-CB 3.47Å; D1187-A1190 PolarHBondContact O-N 3.34Å; D1187-A1190 VanDerWaalsContact O-N 3.15Å; A1190-I1192 VanDerWaalsContact C-N 3.27Å; A1190-I1192 PolarHBondContact O-N 2.85Å; A1190-V1193 PolarHBondContact O-N 2.89Å; A1190-V1193 VanDerWaalsContact O-N 3.1Å; A1190-E1194 PolarHBondContact O-N 3.41Å; A1190-V1200 HydrophobicContact CB-CG1 4.45Å; A1190-V1200 HydrophobicContact CB-CG2 3.97Å
1191E91.6Very high90.6Very high130 Ų13067.5 Ų67.561%0.60734%0.337SS*.Hα-helixtrans-56.1-40.2174.2-69.5-177.2173.400112.4D1187 R1195D1187-E1191 PolarHBondContact O-N 3.27Å; E1191-R1195 WeakPolarHBondContact O-CB 3.39Å; E1191-R1195 PolarHBondContact O-N 3.49Å
1192I92.8Very high90.5Very high7 Ų771.3 Ų71.34%0.03636%0.357CS..Hα-helixtrans-63.8-44.9176.1-71.1164.9000111.1R1188 Y1189 A1190 L1196 L1240R1188-I1192 HydrophobicContact CG-CD1 4.37Å; R1188-I1192 WeakPolarHBondContact O-CG1 3.39Å; R1188-I1192 PolarHBondContact O-N 2.78Å; Y1189-I1192 HydrophobicContact CD1-CD1 3.9Å; Y1189-I1192 HydrophobicContact CE1-CD1 4.31Å; Y1189-I1192 PolarHBondContact O-N 3.12Å; A1190-I1192 VanDerWaalsContact C-N 3.27Å; A1190-I1192 PolarHBondContact O-N 2.85Å; I1192-L1196 HydrophobicContact CG2-CD1 3.86Å; I1192-L1196 WeakPolarHBondContact O-CB 3.11Å; I1192-L1196 WeakPolarHBondContact O-CD1 3.36Å; I1192-L1196 VanDerWaalsContact O-CG 3.24Å; I1192-L1196 WeakPolarHBondContact O-CG 3.24Å; I1192-L1196 PolarHBondContact O-N 3.39Å; I1192-L1196 VanDerWaalsContact O-N 3.12Å; I1192-L1240 HydrophobicContact CG2-CB 4.24Å
1193V93.5Very high90.3Very high0 Ų074.4 Ų74.40%037%0.371CS..Hα-helixtrans-64.5-45.5179.2169.20000111.4I1176 F1178 Y1189 A1190 L1196 G1197 G1198 V1200 L1240 W1249I1176-V1193 HydrophobicContact CB-CG1 4.33Å; I1176-V1193 HydrophobicContact CB-CG2 4.23Å; I1176-V1193 HydrophobicContact CD1-CG2 4Å; I1176-V1193 HydrophobicContact CG1-CG1 4.33Å; I1176-V1193 HydrophobicContact CG1-CG2 4.41Å; I1176-V1193 HydrophobicContact CG2-CG2 4.38Å; F1178-V1193 HydrophobicContact CZ-CG2 4.3Å; Y1189-V1193 WeakPolarHBondContact O-CG2 3.27Å; Y1189-V1193 PolarHBondContact O-N 3.44Å; A1190-V1193 PolarHBondContact O-N 2.89Å; A1190-V1193 VanDerWaalsContact O-N 3.1Å; V1193-L1196 PolarHBondContact O-N 3.12Å; V1193-G1197 PolarHBondContact O-N 2.91Å; V1193-G1198 PolarHBondContact O-N 3.45Å; V1193-V1200 HydrophobicContact CB-CG2 3.97Å; V1193-V1200 HydrophobicContact CG1-CG2 3.78Å; V1193-L1240 HydrophobicContact CG2-CD1 3.87Å; V1193-L1240 HydrophobicContact CG2-CD2 3.91Å; V1193-W1249 HydrophobicContact CB-CH2 4.44Å; V1193-W1249 HydrophobicContact CG1-CH2 4.23Å; V1193-W1249 HydrophobicContact CG2-CH2 4.25Å
1194E92.1Very high89.8Confident128 Ų12874.5 Ų74.560%0.59838%0.377SS*.Hα-helixtrans-66.1-41.6178.5-69-177.8-175.900111.7A1190 L1196 G1197 V1200A1190-E1194 PolarHBondContact O-N 3.41Å; E1194-L1196 PolarHBondContact O-N 2.91Å; E1194-G1197 PolarHBondContact O-N 2.75Å; E1194-V1200 HydrophobicContact CG-CG2 4.41Å
1195R89.7Confident89.4Confident165 Ų16568.6 Ų68.662%0.62335%0.352SS*.Hα-helixtrans-60.8-31.3175.1-179.5166.967.4-144.64.5113.1E1191 G1197 S1244E1191-R1195 WeakPolarHBondContact O-CB 3.39Å; E1191-R1195 PolarHBondContact O-N 3.49Å; R1195-G1197 VanDerWaalsContact C-N 3.32Å; R1195-S1244 PolarHBondContact NH2-OG 3.28Å
1196L91.3Very high89.2Confident29 Ų2967.7 Ų67.715%0.15235%0.348CS..THydrogen-bonded Turntrans-87.62.6175.8-65.8168.5000113.2I1192 V1193 E1194 C1243 W1249I1192-L1196 HydrophobicContact CG2-CD1 3.86Å; I1192-L1196 WeakPolarHBondContact O-CB 3.11Å; I1192-L1196 WeakPolarHBondContact O-CD1 3.36Å; I1192-L1196 VanDerWaalsContact O-CG 3.24Å; I1192-L1196 WeakPolarHBondContact O-CG 3.24Å; I1192-L1196 PolarHBondContact O-N 3.39Å; I1192-L1196 VanDerWaalsContact O-N 3.12Å; V1193-L1196 PolarHBondContact O-N 3.12Å; E1194-L1196 PolarHBondContact O-N 2.91Å; L1196-C1243 HydrophobicContact CD1-CB 3.53Å; L1196-W1249 HydrophobicContact CB-CD2 4.36Å; L1196-W1249 HydrophobicContact CB-CH2 4.05Å; L1196-W1249 HydrophobicContact CB-CZ2 3.38Å; L1196-W1249 HydrophobicContact CD1-CE3 4.45Å; L1196-W1249 HydrophobicContact CD1-CH2 4.23Å; L1196-W1249 HydrophobicContact CD1-CZ2 4.3Å; L1196-W1249 HydrophobicContact CD1-CZ3 4.3Å; L1196-W1249 HydrophobicContact CG-CZ2 4.5Å; L1196-W1249 PolarHBondContact O-NE1 2.97Å
1197G89.2Confident88.8Confident70 Ų7066.3 Ų66.372%0.72235%0.348SS*.THydrogen-bonded Turntrans78.923.8177.300000115.1V1193 E1194 R1195V1193-G1197 PolarHBondContact O-N 2.91Å; E1194-G1197 PolarHBondContact O-N 2.75Å; R1195-G1197 VanDerWaalsContact C-N 3.32Å
1198G90.7Very high88.5Confident10 Ų1070.2 Ų70.210%0.10336%0.363CS..  trans-95.4167.5169.400000112.9Y1174 V1193Y1174-G1198 CarbonylContact O-C 3.57Å; Y1174-G1198 WeakPolarHBondContact O-CA 3.16Å; V1193-G1198 PolarHBondContact O-N 3.45Å
1199E92.5Very high88.2Confident118 Ų11870.3 Ų70.355%0.55137%0.368SS*.EExtended strand (participates in β ladder)trans-104.5146.8173.7-59.2-179.5168.200111.1Y1174 I1175 I1176Y1174-E1199 PolarHBondContact O-N 3.45Å; I1175-E1199 CarbonylContact C-O 3.51Å; I1175-E1199 WeakPolarHBondContact CA-O 3.35Å; I1175-E1199 HydrophobicContact CG1-CB 4.24Å; I1175-E1199 HydrophobicContact CG2-CB 4.48Å; I1176-E1199 PolarHBondContact N-O 3.15Å
1200V91.9Very high88Confident25 Ų2570 Ų7015%0.15237%0.367CS..EExtended strand (participates in β ladder)trans-101.6116177.5179.20000111.4I1176 F1178 A1190 V1193 E1194 N1202I1176-V1200 CarbonylContact O-C 3.49Å; I1176-V1200 WeakPolarHBondContact O-CA 3.35Å; F1178-V1200 HydrophobicContact CD2-CG1 4.13Å; F1178-V1200 HydrophobicContact CE2-CG1 3.67Å; F1178-V1200 HydrophobicContact CE2-CG2 4.4Å; A1190-V1200 HydrophobicContact CB-CG1 4.45Å; A1190-V1200 HydrophobicContact CB-CG2 3.97Å; V1193-V1200 HydrophobicContact CB-CG2 3.97Å; V1193-V1200 HydrophobicContact CG1-CG2 3.78Å; E1194-V1200 HydrophobicContact CG-CG2 4.41Å; V1200-N1202 PolarHBondContact O-N 3.09Å; V1200-N1202 VanDerWaalsContact O-N 3.08Å
1201D89.6Confident88Confident13 Ų1371.6 Ų71.67%0.0738%0.375CS..  trans-79.388.3172.5173.828.2000110.7I1175 I1176 S1177 L1203 S1207 T1210I1175-D1201 HydrophobicContact CG2-CB 4.22Å; I1176-D1201 PolarHBondContact O-N 3.18Å; S1177-D1201 WeakPolarHBondContact CB-O 3.28Å; S1177-D1201 PolarHBondContact OG-O 3.2Å; D1201-L1203 VanDerWaalsContact C-N 3.27Å; D1201-L1203 PolarHBondContact O-N 3.34Å; D1201-L1203 WeakPolarHBondContact OD1-CB 3.42Å; D1201-L1203 WeakPolarHBondContact OD1-CG 3.22Å; D1201-L1203 PolarHBondContact OD1-N 2.77Å; D1201-S1207 PolarHBondContact OD2-N 3.41Å; D1201-T1210 HydrophobicContact CB-CG2 4.08Å; D1201-T1210 VanDerWaalsContact CG-OG1 3.31Å; D1201-T1210 PolarHBondContact OD2-OG1 3.01Å
1202N83.3Confident88.1Confident103 Ų10365.7 Ų65.755%0.55135%0.347SS*.  trans-80.35.9179-86.2-45000114.9R1186 V1200R1186-N1202 PolarHBondContact NH2-OD1 3.09Å; R1186-N1202 VanDerWaalsContact NH2-OD1 3.08Å; V1200-N1202 PolarHBondContact O-N 3.09Å; V1200-N1202 VanDerWaalsContact O-N 3.08Å
1203L82.6Confident88.2Confident98 Ų9865.4 Ų65.451%0.51335%0.346SS..  trans-64.6155.4177.1-66.1174.5000112.3D1201 T1205 K1223D1201-L1203 VanDerWaalsContact C-N 3.27Å; D1201-L1203 PolarHBondContact O-N 3.34Å; D1201-L1203 WeakPolarHBondContact OD1-CB 3.42Å; D1201-L1203 WeakPolarHBondContact OD1-CG 3.22Å; D1201-L1203 PolarHBondContact OD1-N 2.77Å; L1203-T1205 WeakPolarHBondContact CB-O 3.41Å; L1203-K1223 WeakPolarHBondContact O-CE 3.28Å; L1203-K1223 PolarHBondContact O-NZ 2.89Å
1204T75.6Confident88.3Confident133 Ų13365.4 Ų65.482%0.81635%0.346SS*.SBendtrans-70.3-34.6175.949.40000112K1223T1204-K1223 WeakPolarHBondContact O-CE 3.48Å
1205T78.1Confident88.3Confident38 Ų3859.3 Ų59.323%0.23332%0.318CS..SBendtrans-98.7153170.156.40000110.1L1203 S1207 E1222L1203-T1205 WeakPolarHBondContact CB-O 3.41Å; T1205-S1207 PolarHBondContact O-N 2.91Å; T1205-E1222 WeakPolarHBondContact CG2-OE1 3.15Å
1206L84.7Confident88.2Confident13 Ų1354.2 Ų54.27%0.06830%0.299CS..PPolyproline II helixtrans-69.7129.3176.3-157.578000110.4T1210 L1213 K1223 I1226 C1227 K1232L1206-T1210 HydrophobicContact CD1-CG2 3.97Å; L1206-T1210 HydrophobicContact CG-CG2 4.29Å; L1206-L1213 HydrophobicContact CD1-CB 4.37Å; L1206-L1213 HydrophobicContact CD1-CD1 3.95Å; L1206-K1223 HydrophobicContact CB-CG 4.41Å; L1206-K1223 HydrophobicContact CD1-CD 4.4Å; L1206-I1226 HydrophobicContact CB-CB 4.32Å; L1206-I1226 HydrophobicContact CB-CG2 3.91Å; L1206-I1226 HydrophobicContact CD2-CB 4.49Å; L1206-I1226 HydrophobicContact CD2-CG2 3.91Å; L1206-C1227 HydrophobicContact CD2-CB 4.02Å; L1206-K1232 HydrophobicContact CD2-CD 3.83Å
1207S83.6Confident87.9Confident34 Ų3453.8 Ų53.824%0.23830%0.299CS..PPolyproline II helixtrans-69.8155.1175.9-167.60000112.5D1201 T1205 K1209 T1210 K1232D1201-S1207 PolarHBondContact OD2-N 3.41Å; T1205-S1207 PolarHBondContact O-N 2.91Å; S1207-K1209 PolarHBondContact O-N 3.03Å; S1207-T1210 WeakPolarHBondContact CA-OG1 3.42Å; S1207-T1210 WeakPolarHBondContact CB-OG1 3.49Å; S1207-T1210 PolarHBondContact N-OG1 2.95Å; S1207-T1210 PolarHBondContact O-N 3.15Å; S1207-T1210 PolarHBondContact O-OG1 3.29Å; S1207-K1232 PolarHBondContact O-NZ 2.84Å
1208E84Confident87.8Confident184 Ų18450.6 Ų50.686%0.8627%0.266SS*.SBendtrans-62-35.5170.7-172.3176.2-160.600110.8T1210 K1232E1208-T1210 PolarHBondContact O-N 2.87Å; E1208-K1232 PolarHBondContact O-NZ 2.97Å
1209K86.4Confident87.7Confident155 Ų15553.2 Ų53.267%0.67428%0.28SS*.SBendtrans-70.9-23.9178.6-65.2-171.6178.2-175.20114.8I1175 S1207 T1211I1175-K1209 HydrophobicContact CD1-CB 3.91Å; S1207-K1209 PolarHBondContact O-N 3.03Å; K1209-T1211 PolarHBondContact O-N 2.67Å
1210T92Very high87.4Confident2 Ų252 Ų521%0.01227%0.27CS..  trans-60.6127-173.6-44.40000110.4I1175 D1201 L1206 S1207 E1208 H1212 K1232I1175-T1210 CarbonylContact O-C 3.57Å; I1175-T1210 VanDerWaalsContact O-CG2 3.24Å; I1175-T1210 WeakPolarHBondContact O-CG2 3.43Å; D1201-T1210 HydrophobicContact CB-CG2 4.08Å; D1201-T1210 VanDerWaalsContact CG-OG1 3.31Å; D1201-T1210 PolarHBondContact OD2-OG1 3.01Å; L1206-T1210 HydrophobicContact CD1-CG2 3.97Å; L1206-T1210 HydrophobicContact CG-CG2 4.29Å; S1207-T1210 WeakPolarHBondContact CA-OG1 3.42Å; S1207-T1210 WeakPolarHBondContact CB-OG1 3.49Å; S1207-T1210 PolarHBondContact N-OG1 2.95Å; S1207-T1210 PolarHBondContact O-N 3.15Å; S1207-T1210 PolarHBondContact O-OG1 3.29Å; E1208-T1210 PolarHBondContact O-N 2.87Å; T1210-H1212 WeakPolarHBondContact CG2-O 3.46Å; T1210-K1232 VanDerWaalsContact O-CD 3.24Å; T1210-K1232 WeakPolarHBondContact O-CD 3.42Å; T1210-K1232 VanDerWaalsContact O-CE 3.3Å; T1210-K1232 WeakPolarHBondContact O-CE 3.24Å; T1210-K1232 PolarHBondContact O-NZ 3.37Å
1211T92.4Very high87.2Confident48 Ų4852.6 Ų52.629%0.29428%0.275SS..  trans-94.8-27.8-179.846.60000112.4N1173 I1175 K1209 W1233N1173-T1211 WeakPolarHBondContact O-CG2 3.43Å; N1173-T1211 PolarHBondContact O-OG1 2.69Å; N1173-T1211 VanDerWaalsContact O-OG1 3.04Å; I1175-T1211 PolarHBondContact N-OG1 3.35Å; I1175-T1211 PolarHBondContact O-N 2.8Å; I1175-T1211 PolarHBondContact O-OG1 2.72Å; K1209-T1211 PolarHBondContact O-N 2.67Å; T1211-W1233 PolarHBondContact O-N 3.11Å
1212H94.7Very high87.2Confident7 Ų754.1 Ų54.13%0.03228%0.282CS..EExtended strand (participates in β ladder)trans-135.4141.4-175.7-53.976.4000112.6Y1174 I1175 I1176 S1177 T1210 W1233 E1252Y1174-H1212 AromaticContact CD1-CE1 3.35Å; Y1174-H1212 WeakPolarHBondContact CD1-CE1 3.01Å; Y1174-H1212 AromaticContact CD1-ND1 3.78Å; Y1174-H1212 AromaticContact CE1-CE1 3.62Å; Y1174-H1212 AromaticContact CE1-NE2 3.95Å; I1175-H1212 PolarHBondContact O-N 3.38Å; I1176-H1212 WeakPolarHBondContact CA-O 3.29Å; I1176-H1212 HydrophobicContact CD1-CB 4.29Å; I1176-H1212 HydrophobicContact CG1-CB 4.11Å; I1176-H1212 HydrophobicContact CG2-CB 4.45Å; S1177-H1212 PolarHBondContact N-O 3.01Å; T1210-H1212 WeakPolarHBondContact CG2-O 3.46Å; H1212-W1233 HydrophobicContact CB-CB 4.42Å; H1212-W1233 WeakPolarHBondContact CD2-CB 3.46Å; H1212-W1233 AromaticContact CD2-CD1 3.5Å; H1212-W1233 AromaticContact CD2-CG 3.64Å; H1212-W1233 AromaticContact NE2-CD1 3.18Å; H1212-W1233 AromaticContact NE2-CG 3.78Å; H1212-W1233 AromaticContact NE2-NE1 3.78Å; H1212-E1252 IonicContact NE2-OE1 3.51Å; H1212-E1252 PolarHBondContact NE2-OE1 3.01Å
1213L95.4Very high87.6Confident0 Ų050 Ų500%026%0.259CS..EExtended strand (participates in β ladder)trans-117.7117.3169.317862.4000109.4S1177 T1179 L1206 V1215 K1223 C1227 W1233 M1234 L1235S1177-L1213 WeakPolarHBondContact O-CA 3.24Å; T1179-L1213 HydrophobicContact CG2-CD1 3.98Å; T1179-L1213 HydrophobicContact CG2-CD2 4.31Å; T1179-L1213 HydrophobicContact CG2-CG 4.38Å; L1206-L1213 HydrophobicContact CD1-CB 4.37Å; L1206-L1213 HydrophobicContact CD1-CD1 3.95Å; L1213-V1215 HydrophobicContact CG-CG2 4.18Å; L1213-K1223 HydrophobicContact CD1-CB 4.33Å; L1213-K1223 HydrophobicContact CD1-CD 4.32Å; L1213-K1223 HydrophobicContact CD2-CB 4.13Å; L1213-K1223 WeakPolarHBondContact CD2-O 3.22Å; L1213-C1227 HydrophobicContact CB-CB 4.28Å; L1213-C1227 HydrophobicContact CD2-CB 3.6Å; L1213-W1233 PolarHBondContact N-O 3.39Å; L1213-M1234 WeakPolarHBondContact O-CA 3.47Å; L1213-L1235 PolarHBondContact O-N 3.3Å
1214I95.1Very high88.1Confident0 Ų045.3 Ų45.30%024%0.235CC..EExtended strand (participates in β ladder)trans-88.1130.8174.2-50.8-56.5000109.3I1176 S1177 F1178 T1179 L1181 L1235 K1237 Y1239 L1240I1176-I1214 HydrophobicContact CG2-CD1 4.17Å; I1176-I1214 HydrophobicContact CG2-CG1 3.55Å; S1177-I1214 PolarHBondContact O-N 3.49Å; F1178-I1214 HydrophobicContact CD1-CB 3.89Å; F1178-I1214 HydrophobicContact CD1-CG1 4.2Å; F1178-I1214 HydrophobicContact CD1-CG2 4.46Å; F1178-I1214 HydrophobicContact CE1-CB 4.19Å; F1178-I1214 HydrophobicContact CE1-CG1 4.03Å; T1179-I1214 PolarHBondContact N-O 2.9Å; T1179-I1214 VanDerWaalsContact N-O 3.12Å; L1181-I1214 HydrophobicContact CD1-CG2 4.23Å; I1214-L1235 HydrophobicContact CD1-CB 3.96Å; I1214-L1235 HydrophobicContact CD1-CD1 4.37Å; I1214-K1237 HydrophobicContact CG2-CB 3.97Å; I1214-Y1239 HydrophobicContact CD1-CD1 4.24Å; I1214-L1240 HydrophobicContact CD1-CD1 4.44Å; I1214-L1240 HydrophobicContact CD1-CG 4.36Å; I1214-L1240 HydrophobicContact CG1-CD1 4Å; I1214-L1240 HydrophobicContact CG1-CG 4.45Å
1215V92.1Very high88.9Confident1 Ų139.3 Ų39.31%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-134.5135.4-174.3-141.70000110.8T1179 L1213 A1217 M1234 L1235 W1257T1179-V1215 HydrophobicContact CG2-CG1 3.78Å; L1213-V1215 HydrophobicContact CG-CG2 4.18Å; V1215-A1217 WeakPolarHBondContact CG1-O 3.36Å; V1215-M1234 HydrophobicContact CG2-CG 3.41Å; V1215-M1234 VanDerWaalsContact CG2-CG 3.41Å; V1215-M1234 HydrophobicContact CG2-SD 4.14Å; V1215-L1235 PolarHBondContact N-O 3.4Å; V1215-W1257 PolarHBondContact O-NE1 3.43Å
1216Y86.5Confident89.5Confident58 Ų5837.8 Ų37.823%0.22719%0.188CC..SBendtrans-70.9-40165.8175.9-114.2000112.3G1180 W1257G1180-Y1216 WeakPolarHBondContact O-CB 3.24Å; Y1216-W1257 VanDerWaalsContact O-CZ2 3.24Å; Y1216-W1257 WeakPolarHBondContact O-CZ2 3.49Å
1217A86.4Confident90Very high20 Ų2037.2 Ų37.217%0.16519%0.185CC..SBendtrans-153.3138.8172.900000110.6V1215 T1219 L1269V1215-A1217 WeakPolarHBondContact CG1-O 3.36Å; A1217-T1219 PolarHBondContact O-N 3.3Å; A1217-L1269 HydrophobicContact CB-CD1 4.36Å
1218P86.8Confident90.4Very high2 Ų235.6 Ų35.61%0.01317%0.174CC..  trans-58.4132175.7-28.337.9000113.1M1234 W1257 L1293 A1294P1218-M1234 HydrophobicContact CB-SD 4.39Å; P1218-M1234 HydrophobicContact CG-SD 4.39Å; P1218-W1257 HydrophobicContact CG-CB 4.08Å; P1218-W1257 HydrophobicContact CG-CD2 3.76Å; P1218-W1257 HydrophobicContact CG-CE3 4.17Å; P1218-W1257 HydrophobicContact CG-CG 3.72Å; P1218-L1293 HydrophobicContact CB-CB 4.09Å; P1218-L1293 HydrophobicContact CB-CD2 4.07Å; P1218-A1294 HydrophobicContact CG-CB 4.07Å
1219T87.4Confident90.8Very high66 Ų6626.9 Ų26.941%0.40513%0.133SC..  trans-137.5158.1-176.852.80000111.7A1217 S1221 C1224 L1293A1217-T1219 PolarHBondContact O-N 3.3Å; T1219-S1221 PolarHBondContact O-N 3.15Å; T1219-S1221 WeakPolarHBondContact OG1-CB 3.34Å; T1219-S1221 PolarHBondContact OG1-OG 3.07Å; T1219-C1224 WeakPolarHBondContact O-CB 3.34Å; T1219-L1293 WeakPolarHBondContact O-CD2 3.39Å
1220R87Confident91.1Very high93 Ų9320.7 Ų20.735%0.35111%0.109SC..SBendtrans-74.432.9171.8-61.2170.5101.974.6-10112.5L1293 C1380 S1384R1220-L1293 HydrophobicContact CG-CD1 4.24Å; R1220-C1380 VanDerWaalsContact NH2-C 3.27Å; R1220-C1380 VanDerWaalsContact NH2-CB 3.34Å; R1220-C1380 PolarHBondContact NH2-O 2.84Å; R1220-S1384 PolarHBondContact NH1-OG 3.08Å
1221S88Confident91Very high36 Ų3621.3 Ų21.325%0.25212%0.116SC..SBendtrans-81.4156.8176.766.20000111.2T1219 K1223 C1224 L1225T1219-S1221 PolarHBondContact O-N 3.15Å; T1219-S1221 WeakPolarHBondContact OG1-CB 3.34Å; T1219-S1221 PolarHBondContact OG1-OG 3.07Å; S1221-K1223 PolarHBondContact O-N 3.46Å; S1221-C1224 PolarHBondContact O-N 3.35Å; S1221-C1224 PolarHBondContact OG-SG 3.1Å; S1221-C1224 VanDerWaalsContact OG-SG 3.36Å; S1221-L1225 WeakPolarHBondContact O-CG 3.47Å; S1221-L1225 PolarHBondContact O-N 3.07Å
1222E89.7Confident91.1Very high46 Ų4620.7 Ų20.722%0.21511%0.109CC..Hα-helixtrans-60.4-42.7-173.9-167.1-176.5140.900112.7T1205 C1224 L1225 I1226 S1324 R1327 I1328T1205-E1222 WeakPolarHBondContact CG2-OE1 3.15Å; E1222-C1224 PolarHBondContact O-N 3.25Å; E1222-L1225 PolarHBondContact O-N 2.92Å; E1222-I1226 HydrophobicContact CG-CD1 3.88Å; E1222-I1226 HydrophobicContact CG-CG1 4.39Å; E1222-I1226 WeakPolarHBondContact O-CB 3.47Å; E1222-I1226 VanDerWaalsContact O-CG1 3.3Å; E1222-I1226 WeakPolarHBondContact O-CG1 3.41Å; E1222-I1226 PolarHBondContact O-N 2.97Å; E1222-S1324 WeakPolarHBondContact OE2-CB 3.24Å; E1222-S1324 PolarHBondContact OE2-OG 3.46Å; E1222-R1327 VanDerWaalsContact CD-NH2 3.26Å; E1222-R1327 IonicContact OE1-CZ 3.24Å; E1222-R1327 IonicContact OE1-NE 2.84Å; E1222-R1327 PolarHBondContact OE1-NE 2.85Å; E1222-R1327 IonicContact OE1-NH2 3.59Å; E1222-R1327 PolarHBondContact OE1-NH2 3.1Å; E1222-R1327 IonicContact OE2-NH2 2.81Å; E1222-R1327 PolarHBondContact OE2-NH2 3.12Å; E1222-I1328 HydrophobicContact CG-CD1 4.19Å; E1222-I1328 HydrophobicContact CG-CG1 4.24Å
1223K92.1Very high91.1Very high16 Ų1622.5 Ų22.57%0.0712%0.116CC..Hα-helixtrans-59.9-45.1176.3-73.9-163.3176-169.70112.2S1177 F1178 L1203 T1204 L1206 L1213 S1221 C1227S1177-K1223 PolarHBondContact OG-NZ 3.44Å; F1178-K1223 PolarHBondContact O-NZ 2.95Å; L1203-K1223 WeakPolarHBondContact O-CE 3.28Å; L1203-K1223 PolarHBondContact O-NZ 2.89Å; T1204-K1223 WeakPolarHBondContact O-CE 3.48Å; L1206-K1223 HydrophobicContact CB-CG 4.41Å; L1206-K1223 HydrophobicContact CD1-CD 4.4Å; L1213-K1223 HydrophobicContact CD1-CB 4.33Å; L1213-K1223 HydrophobicContact CD1-CD 4.32Å; L1213-K1223 HydrophobicContact CD2-CB 4.13Å; L1213-K1223 WeakPolarHBondContact CD2-O 3.22Å; S1221-K1223 PolarHBondContact O-N 3.46Å; K1223-C1227 VanDerWaalsContact O-CB 3.27Å; K1223-C1227 WeakPolarHBondContact O-CB 3.44Å; K1223-C1227 PolarHBondContact O-N 2.86Å
1224C92.3Very high91Very high0 Ų022.5 Ų22.50%012%0.116CC..Hα-helixtrans-63.6-47.6176.8-70.30000111.5T1219 S1221 E1222 I1226 C1227 L1228 M1234T1219-C1224 WeakPolarHBondContact O-CB 3.34Å; S1221-C1224 PolarHBondContact O-N 3.35Å; S1221-C1224 PolarHBondContact OG-SG 3.1Å; S1221-C1224 VanDerWaalsContact OG-SG 3.36Å; E1222-C1224 PolarHBondContact O-N 3.25Å; C1224-I1226 PolarHBondContact O-N 3.29Å; C1224-C1227 WeakPolarHBondContact O-CB 3.39Å; C1224-C1227 PolarHBondContact O-N 2.85Å; C1224-C1227 VanDerWaalsContact O-N 3.12Å; C1224-L1228 WeakPolarHBondContact O-CD1 3.15Å; C1224-L1228 PolarHBondContact O-N 3.3Å; C1224-M1234 HydrophobicContact CB-CE 4.46Å
1225L91.8Very high91Very high6 Ų622.5 Ų22.53%0.03112%0.116CC..Hα-helixtrans-64.4-36.5-179.6-66.1174.6000112.6S1221 E1222 L1228 A1229 I1328 L1383S1221-L1225 WeakPolarHBondContact O-CG 3.47Å; S1221-L1225 PolarHBondContact O-N 3.07Å; E1222-L1225 PolarHBondContact O-N 2.92Å; L1225-L1228 HydrophobicContact CD2-CD1 4.45Å; L1225-A1229 VanDerWaalsContact O-CB 3.26Å; L1225-A1229 WeakPolarHBondContact O-CB 3.47Å; L1225-A1229 PolarHBondContact O-N 2.94Å; L1225-I1328 HydrophobicContact CB-CD1 3.83Å; L1225-I1328 HydrophobicContact CB-CG1 4.03Å; L1225-I1328 HydrophobicContact CB-CG2 4.22Å; L1225-I1328 HydrophobicContact CD1-CD1 3.92Å; L1225-L1383 HydrophobicContact CB-CD1 4.27Å; L1225-L1383 HydrophobicContact CD2-CD1 3.91Å
1226I92.3Very high91.1Very high6 Ų623.3 Ų23.33%0.03112%0.12CC..Hα-helixtrans-64.5-44.7170.5-69170.3000110.7L1206 E1222 C1224 A1229 S1230 R1327 I1328 A1331L1206-I1226 HydrophobicContact CB-CB 4.32Å; L1206-I1226 HydrophobicContact CB-CG2 3.91Å; L1206-I1226 HydrophobicContact CD2-CB 4.49Å; L1206-I1226 HydrophobicContact CD2-CG2 3.91Å; E1222-I1226 HydrophobicContact CG-CD1 3.88Å; E1222-I1226 HydrophobicContact CG-CG1 4.39Å; E1222-I1226 WeakPolarHBondContact O-CB 3.47Å; E1222-I1226 VanDerWaalsContact O-CG1 3.3Å; E1222-I1226 WeakPolarHBondContact O-CG1 3.41Å; E1222-I1226 PolarHBondContact O-N 2.97Å; C1224-I1226 PolarHBondContact O-N 3.29Å; I1226-A1229 PolarHBondContact O-N 2.84Å; I1226-S1230 WeakPolarHBondContact O-CB 3.3Å; I1226-S1230 PolarHBondContact O-N 3.29Å; I1226-S1230 PolarHBondContact O-OG 2.84Å; I1226-R1327 HydrophobicContact CD1-CB 4.21Å; I1226-I1328 HydrophobicContact CG1-CB 4.47Å; I1226-I1328 HydrophobicContact CG1-CG1 3.75Å; I1226-A1331 HydrophobicContact CG2-CB 3.74Å
1227C93.3Very high91.4Very high1 Ų122.1 Ų22.11%0.00712%0.116CC..Hα-helixtrans-61.6-45179.1179.60000112.3L1206 L1213 K1223 C1224 G1231 K1232 M1234L1206-C1227 HydrophobicContact CD2-CB 4.02Å; L1213-C1227 HydrophobicContact CB-CB 4.28Å; L1213-C1227 HydrophobicContact CD2-CB 3.6Å; K1223-C1227 VanDerWaalsContact O-CB 3.27Å; K1223-C1227 WeakPolarHBondContact O-CB 3.44Å; K1223-C1227 PolarHBondContact O-N 2.86Å; C1224-C1227 WeakPolarHBondContact O-CB 3.39Å; C1224-C1227 PolarHBondContact O-N 2.85Å; C1224-C1227 VanDerWaalsContact O-N 3.12Å; C1227-G1231 PolarHBondContact O-N 3.08Å; C1227-G1231 VanDerWaalsContact O-N 3.09Å; C1227-K1232 PolarHBondContact O-N 3.02Å; C1227-M1234 HydrophobicContact CB-CE 4.06Å
1228L92Very high91.6Very high1 Ų121.9 Ų21.91%0.00511%0.113CC..Hα-helixtrans-55.3-58.7169.5-88.3137.9000111.2C1224 L1225 S1230 G1231 M1234 L1293 A1297 W1300C1224-L1228 WeakPolarHBondContact O-CD1 3.15Å; C1224-L1228 PolarHBondContact O-N 3.3Å; L1225-L1228 HydrophobicContact CD2-CD1 4.45Å; L1228-S1230 VanDerWaalsContact C-N 3.31Å; L1228-S1230 PolarHBondContact O-N 3.06Å; L1228-G1231 PolarHBondContact O-N 2.98Å; L1228-G1231 VanDerWaalsContact O-N 3.11Å; L1228-M1234 HydrophobicContact CD1-CE 3.86Å; L1228-M1234 HydrophobicContact CG-CE 3.78Å; L1228-L1293 HydrophobicContact CD1-CD2 4.03Å; L1228-L1293 HydrophobicContact CD1-CG 3.88Å; L1228-A1297 HydrophobicContact CD2-CB 4.07Å; L1228-A1297 HydrophobicContact CG-CB 4.24Å; L1228-W1300 VanDerWaalsContact O-CB 3.29Å; L1228-W1300 WeakPolarHBondContact O-CB 3.3Å
1229A92.4Very high92Very high0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-61.9-37.2-173.300000113.4L1225 I1226 K1306 A1307 F1308 I1328 G1332 L1383L1225-A1229 VanDerWaalsContact O-CB 3.26Å; L1225-A1229 WeakPolarHBondContact O-CB 3.47Å; L1225-A1229 PolarHBondContact O-N 2.94Å; I1226-A1229 PolarHBondContact O-N 2.84Å; A1229-K1306 PolarHBondContact O-N 3.12Å; A1229-A1307 HydrophobicContact CB-CB 4.4Å; A1229-A1307 PolarHBondContact O-N 3.48Å; A1229-F1308 HydrophobicContact CB-CD2 4.12Å; A1229-F1308 HydrophobicContact CB-CE2 3.62Å; A1229-I1328 HydrophobicContact CB-CG2 4.39Å; A1229-G1332 WeakPolarHBondContact O-CA 3.45Å; A1229-L1383 HydrophobicContact CB-CD1 4.43Å; A1229-L1383 HydrophobicContact CB-CD2 4.06Å
1230S92.9Very high92.4Very high26 Ų2618.7 Ų18.718%0.1829%0.093CC..Hα-helixtrans-84.9-7.2178.758.40000114.2I1226 L1228 K1232 A1331I1226-S1230 WeakPolarHBondContact O-CB 3.3Å; I1226-S1230 PolarHBondContact O-N 3.29Å; I1226-S1230 PolarHBondContact O-OG 2.84Å; L1228-S1230 VanDerWaalsContact C-N 3.31Å; L1228-S1230 PolarHBondContact O-N 3.06Å; S1230-K1232 VanDerWaalsContact OG-CD 3.25Å; S1230-K1232 WeakPolarHBondContact OG-CD 3.4Å; S1230-K1232 WeakPolarHBondContact OG-CE 3.31Å; S1230-K1232 WeakPolarHBondContact OG-CG 3.18Å; S1230-A1331 WeakPolarHBondContact CA-O 3.35Å; S1230-A1331 VanDerWaalsContact CB-O 3.31Å; S1230-A1331 WeakPolarHBondContact CB-O 3.28Å
1231G91.6Very high92.6Very high15 Ų1516.6 Ų16.616%0.1559%0.089CC..THydrogen-bonded Turntrans66.338.3-179.100000113.6C1227 L1228 R1301C1227-G1231 PolarHBondContact O-N 3.08Å; C1227-G1231 VanDerWaalsContact O-N 3.09Å; L1228-G1231 PolarHBondContact O-N 2.98Å; L1228-G1231 VanDerWaalsContact O-N 3.11Å; G1231-R1301 WeakPolarHBondContact O-CG 3.31Å
1232K93.6Very high92.8Very high35 Ų3515 Ų1515%0.1528%0.077CC..  trans-86.2159.6177.4-69.3173.2-179.2-144.20110.9L1206 S1207 E1208 T1210 C1227 S1230 M1234L1206-K1232 HydrophobicContact CD2-CD 3.83Å; S1207-K1232 PolarHBondContact O-NZ 2.84Å; E1208-K1232 PolarHBondContact O-NZ 2.97Å; T1210-K1232 VanDerWaalsContact O-CD 3.24Å; T1210-K1232 WeakPolarHBondContact O-CD 3.42Å; T1210-K1232 VanDerWaalsContact O-CE 3.3Å; T1210-K1232 WeakPolarHBondContact O-CE 3.24Å; T1210-K1232 PolarHBondContact O-NZ 3.37Å; C1227-K1232 PolarHBondContact O-N 3.02Å; S1230-K1232 VanDerWaalsContact OG-CD 3.25Å; S1230-K1232 WeakPolarHBondContact OG-CD 3.4Å; S1230-K1232 WeakPolarHBondContact OG-CE 3.31Å; S1230-K1232 WeakPolarHBondContact OG-CG 3.18Å; K1232-M1234 PolarHBondContact O-N 3.44Å
1233W93.7Very high93Very high45 Ų4512.8 Ų12.817%0.177%0.067CC..EExtended strand (participates in β ladder)trans-63.8127.2175.9-75.5115000111.2T1211 H1212 L1213 L1235 E1252 A1253 E1256 R1301T1211-W1233 PolarHBondContact O-N 3.11Å; H1212-W1233 HydrophobicContact CB-CB 4.42Å; H1212-W1233 WeakPolarHBondContact CD2-CB 3.46Å; H1212-W1233 AromaticContact CD2-CD1 3.5Å; H1212-W1233 AromaticContact CD2-CG 3.64Å; H1212-W1233 AromaticContact NE2-CD1 3.18Å; H1212-W1233 AromaticContact NE2-CG 3.78Å; H1212-W1233 AromaticContact NE2-NE1 3.78Å; L1213-W1233 PolarHBondContact N-O 3.39Å; W1233-L1235 HydrophobicContact CB-CD2 4.15Å; W1233-L1235 HydrophobicContact CB-CG 4.29Å; W1233-L1235 HydrophobicContact CD2-CD2 4.43Å; W1233-L1235 HydrophobicContact CE3-CD2 3.84Å; W1233-E1252 HydrophobicContact CD2-CB 3.77Å; W1233-E1252 HydrophobicContact CD2-CG 4.42Å; W1233-E1252 HydrophobicContact CE3-CB 3.83Å; W1233-E1252 HydrophobicContact CG-CB 4.45Å; W1233-E1252 HydrophobicContact CH2-CB 3.71Å; W1233-E1252 HydrophobicContact CZ2-CB 3.66Å; W1233-E1252 HydrophobicContact CZ2-CG 4.33Å; W1233-E1252 HydrophobicContact CZ3-CB 3.79Å; W1233-A1253 HydrophobicContact CH2-CB 4.04Å; W1233-A1253 HydrophobicContact CZ3-CB 4.39Å; W1233-E1256 HydrophobicContact CE3-CB 4.18Å; W1233-E1256 HydrophobicContact CE3-CG 4.03Å; W1233-E1256 HydrophobicContact CZ3-CB 4.01Å; W1233-E1256 HydrophobicContact CZ3-CG 4.14Å; W1233-R1301 VanDerWaalsContact CE3-NE 3.32Å; W1233-R1301 VanDerWaalsContact CH2-NH1 3.31Å; W1233-R1301 VanDerWaalsContact CZ3-NE 3.34Å
1234M95Very high93Very high0 Ų013.7 Ų13.70%08%0.075CC..EExtended strand (participates in β ladder)trans-116.6103.1175.6-164.8-173.4-62.600108.8L1213 V1215 P1218 C1224 C1227 L1228 K1232 E1256 W1257 A1297L1213-M1234 WeakPolarHBondContact O-CA 3.47Å; V1215-M1234 HydrophobicContact CG2-CG 3.41Å; V1215-M1234 VanDerWaalsContact CG2-CG 3.41Å; V1215-M1234 HydrophobicContact CG2-SD 4.14Å; P1218-M1234 HydrophobicContact CB-SD 4.39Å; P1218-M1234 HydrophobicContact CG-SD 4.39Å; C1224-M1234 HydrophobicContact CB-CE 4.46Å; C1227-M1234 HydrophobicContact CB-CE 4.06Å; L1228-M1234 HydrophobicContact CD1-CE 3.86Å; L1228-M1234 HydrophobicContact CG-CE 3.78Å; K1232-M1234 PolarHBondContact O-N 3.44Å; M1234-E1256 WeakPolarHBondContact O-CA 3.35Å; M1234-W1257 PolarHBondContact O-N 3.35Å; M1234-A1297 HydrophobicContact CB-CB 4.19Å; M1234-A1297 HydrophobicContact CE-CB 3.73Å; M1234-A1297 HydrophobicContact SD-CB 3.9Å
1235L95.1Very high92.9Very high0 Ų020.3 Ų20.30%010%0.1CC..EExtended strand (participates in β ladder)trans-114.2153.1-168.6-48.4-175.6000112.2L1213 I1214 V1215 W1233 Y1239 E1252 Y1255 E1256 W1257L1213-L1235 PolarHBondContact O-N 3.3Å; I1214-L1235 HydrophobicContact CD1-CB 3.96Å; I1214-L1235 HydrophobicContact CD1-CD1 4.37Å; V1215-L1235 PolarHBondContact N-O 3.4Å; W1233-L1235 HydrophobicContact CB-CD2 4.15Å; W1233-L1235 HydrophobicContact CB-CG 4.29Å; W1233-L1235 HydrophobicContact CD2-CD2 4.43Å; W1233-L1235 HydrophobicContact CE3-CD2 3.84Å; L1235-Y1239 HydrophobicContact CD1-CD1 3.51Å; L1235-Y1239 HydrophobicContact CD1-CD2 3.78Å; L1235-Y1239 HydrophobicContact CD1-CE1 3.86Å; L1235-Y1239 HydrophobicContact CD1-CE2 4.09Å; L1235-Y1239 HydrophobicContact CD1-CG 3.48Å; L1235-Y1239 VanDerWaalsContact CD1-CG 3.48Å; L1235-E1252 HydrophobicContact CD1-CB 4.2Å; L1235-E1252 HydrophobicContact CD1-CG 4.4Å; L1235-E1252 HydrophobicContact CD2-CB 4.28Å; L1235-Y1255 WeakPolarHBondContact CA-O 3.46Å; L1235-E1256 HydrophobicContact CD2-CB 3.86Å; L1235-E1256 HydrophobicContact CD2-CG 4.32Å; L1235-W1257 PolarHBondContact O-NE1 2.86Å
1236H94.3Very high92.8Very high18 Ų1823.9 Ų23.98%0.08312%0.117CC..EExtended strand (participates in β ladder)trans-74.2152.4166.5179-119.5000110.9S1238 Y1239 Y1255 W1257 T1262H1236-S1238 WeakPolarHBondContact ND1-CB 3.3Å; H1236-S1238 PolarHBondContact ND1-N 3.02Å; H1236-S1238 PolarHBondContact ND1-OG 3.12Å; H1236-S1238 PolarHBondContact O-N 2.95Å; H1236-S1238 VanDerWaalsContact O-N 3.1Å; H1236-Y1239 WeakPolarHBondContact O-CB 3.35Å; H1236-Y1239 PolarHBondContact O-N 3.08Å; H1236-Y1255 PolarHBondContact N-O 2.99Å; H1236-W1257 HydrophobicContact CB-CH2 4.49Å; H1236-W1257 HydrophobicContact CB-CZ2 3.83Å; H1236-W1257 AromaticContact CD2-CZ2 3.59Å; H1236-W1257 AromaticContact CG-CZ2 3.99Å; H1236-T1262 HydrophobicContact CB-CG2 4.4Å
1237K91.9Very high92.7Very high33 Ų3328.2 Ų28.214%0.14315%0.148CC..THydrogen-bonded Turntrans-57.1-26.9-178.572.6-176.3-172.4-177.30114.4L1181 E1185 Y1189 I1214 Y1239 L1240 D1241L1181-K1237 HydrophobicContact CD2-CB 4.17Å; L1181-K1237 HydrophobicContact CD2-CD 3.72Å; E1185-K1237 IonicContact OE1-NZ 2.88Å; E1185-K1237 PolarHBondContact OE1-NZ 2.84Å; Y1189-K1237 HydrophobicContact CE2-CB 3.9Å; Y1189-K1237 HydrophobicContact CE2-CD 4.13Å; Y1189-K1237 HydrophobicContact CE2-CG 4.39Å; I1214-K1237 HydrophobicContact CG2-CB 3.97Å; K1237-Y1239 PolarHBondContact O-N 2.83Å; K1237-L1240 PolarHBondContact O-N 3.5Å; K1237-D1241 PolarHBondContact O-N 3.08Å
1238S91.1Very high92.6Very high15 Ų1531.2 Ų31.211%0.10517%0.168CC..Hα-helixtrans-62.5-11.2174.968.60000114.9H1236 D1241 A1242 Y1255H1236-S1238 WeakPolarHBondContact ND1-CB 3.3Å; H1236-S1238 PolarHBondContact ND1-N 3.02Å; H1236-S1238 PolarHBondContact ND1-OG 3.12Å; H1236-S1238 PolarHBondContact O-N 2.95Å; H1236-S1238 VanDerWaalsContact O-N 3.1Å; S1238-D1241 WeakPolarHBondContact CA-OD2 3.44Å; S1238-A1242 WeakPolarHBondContact O-CB 3.4Å; S1238-A1242 PolarHBondContact O-N 3.04Å; S1238-Y1255 WeakPolarHBondContact O-CE1 3.17Å
1239Y94.9Very high92.7Very high0 Ų033.7 Ų33.70%018%0.178CC..Hα-helixtrans-57.9-49.7165.5-179.7-111.5000111.6I1214 L1235 H1236 K1237 A1242 C1243 W1249 V1250 E1252 Y1255I1214-Y1239 HydrophobicContact CD1-CD1 4.24Å; L1235-Y1239 HydrophobicContact CD1-CD1 3.51Å; L1235-Y1239 HydrophobicContact CD1-CD2 3.78Å; L1235-Y1239 HydrophobicContact CD1-CE1 3.86Å; L1235-Y1239 HydrophobicContact CD1-CE2 4.09Å; L1235-Y1239 HydrophobicContact CD1-CG 3.48Å; L1235-Y1239 VanDerWaalsContact CD1-CG 3.48Å; H1236-Y1239 WeakPolarHBondContact O-CB 3.35Å; H1236-Y1239 PolarHBondContact O-N 3.08Å; K1237-Y1239 PolarHBondContact O-N 2.83Å; Y1239-A1242 WeakPolarHBondContact O-CB 3.49Å; Y1239-A1242 PolarHBondContact O-N 2.65Å; Y1239-C1243 PolarHBondContact O-N 3.16Å; Y1239-C1243 PolarHBondContact O-SG 2.98Å; Y1239-W1249 HydrophobicContact CE1-CE3 4.06Å; Y1239-W1249 HydrophobicContact CE1-CZ3 4.14Å; Y1239-V1250 HydrophobicContact CD2-CG2 3.97Å; Y1239-V1250 HydrophobicContact CE2-CG2 3.67Å; Y1239-V1250 VanDerWaalsContact CE2-O 3.3Å; Y1239-V1250 WeakPolarHBondContact CE2-O 3.29Å; Y1239-V1250 PolarHBondContact OH-O 3.21Å; Y1239-E1252 HydrophobicContact CE2-CB 4.42Å; Y1239-E1252 HydrophobicContact CE2-CG 4.08Å; Y1239-Y1255 AromaticContact CD2-CD2 3.7Å; Y1239-Y1255 HydrophobicContact CD2-CD2 3.7Å; Y1239-Y1255 HydrophobicContact CD2-CE2 4.48Å; Y1239-Y1255 AromaticContact CD2-CG 3.91Å; Y1239-Y1255 HydrophobicContact CD2-CG 3.91Å; Y1239-Y1255 HydrophobicContact CE2-CD2 4.45Å; Y1239-Y1255 HydrophobicContact CG-CG 4.5Å
1240L94.6Very high92.7Very high0 Ų034.5 Ų34.50%018%0.183CC..Hα-helixtrans-76.7-28.6-177.9-65.5-179.4000112.3I1176 F1178 Y1189 I1192 V1193 I1214 K1237 A1242 S1244 W1249I1176-L1240 HydrophobicContact CD1-CD2 4.27Å; F1178-L1240 HydrophobicContact CE1-CD1 3.78Å; F1178-L1240 HydrophobicContact CZ-CD1 4.23Å; Y1189-L1240 HydrophobicContact CD1-CB 3.51Å; Y1189-L1240 HydrophobicContact CD1-CD1 3.81Å; Y1189-L1240 HydrophobicContact CD1-CG 4.32Å; Y1189-L1240 HydrophobicContact CE1-CB 3.81Å; Y1189-L1240 HydrophobicContact CG-CB 4.48Å; Y1189-L1240 HydrophobicContact CG-CD1 3.99Å; I1192-L1240 HydrophobicContact CG2-CB 4.24Å; V1193-L1240 HydrophobicContact CG2-CD1 3.87Å; V1193-L1240 HydrophobicContact CG2-CD2 3.91Å; I1214-L1240 HydrophobicContact CD1-CD1 4.44Å; I1214-L1240 HydrophobicContact CD1-CG 4.36Å; I1214-L1240 HydrophobicContact CG1-CD1 4Å; I1214-L1240 HydrophobicContact CG1-CG 4.45Å; K1237-L1240 PolarHBondContact O-N 3.5Å; L1240-A1242 VanDerWaalsContact C-N 3.29Å; L1240-S1244 VanDerWaalsContact O-CB 3.24Å; L1240-S1244 WeakPolarHBondContact O-CB 3.47Å; L1240-S1244 PolarHBondContact O-N 3.24Å; L1240-W1249 HydrophobicContact CD2-CZ3 3.99Å
1241D92.9Very high92.6Very high50 Ų5037.7 Ų37.727%0.26720%0.198SC..Hα-helixtrans-62.1-39.4168.4-58.9-47.1000111Y1189 K1237 S1238 R1245Y1189-D1241 VanDerWaalsContact CE1-OD1 3.27Å; Y1189-D1241 WeakPolarHBondContact CE1-OD1 3.02Å; Y1189-D1241 VanDerWaalsContact OH-CG 3.28Å; Y1189-D1241 PolarHBondContact OH-OD1 3.17Å; Y1189-D1241 PolarHBondContact OH-OD2 3.17Å; K1237-D1241 PolarHBondContact O-N 3.08Å; S1238-D1241 WeakPolarHBondContact CA-OD2 3.44Å; D1241-R1245 PolarHBondContact O-N 2.85Å
1242A91.6Very high92.7Very high1 Ų137.2 Ų37.21%0.00819%0.191CC..Hα-helixtrans-69.3-51.1173.900000112.2S1238 Y1239 L1240 S1244 R1245 E1246 V1250 Y1255S1238-A1242 WeakPolarHBondContact O-CB 3.4Å; S1238-A1242 PolarHBondContact O-N 3.04Å; Y1239-A1242 WeakPolarHBondContact O-CB 3.49Å; Y1239-A1242 PolarHBondContact O-N 2.65Å; L1240-A1242 VanDerWaalsContact C-N 3.29Å; A1242-S1244 PolarHBondContact O-N 2.91Å; A1242-R1245 PolarHBondContact O-N 3.26Å; A1242-E1246 WeakPolarHBondContact O-CG 3.27Å; A1242-E1246 PolarHBondContact O-N 3.4Å; A1242-V1250 HydrophobicContact CB-CG2 4.12Å; A1242-Y1255 HydrophobicContact CB-CE1 4.01Å; A1242-Y1255 HydrophobicContact CB-CE2 4.29Å; A1242-Y1255 VanDerWaalsContact CB-OH 3.27Å; A1242-Y1255 WeakPolarHBondContact CB-OH 3.43Å
1243C93.4Very high92.6Very high0 Ų036.9 Ų36.90%020%0.195CC..Hα-helixtrans-57.6-35177.2-63.20000112.8L1196 Y1239 R1245 S1247 C1248 V1250L1196-C1243 HydrophobicContact CD1-CB 3.53Å; Y1239-C1243 PolarHBondContact O-N 3.16Å; Y1239-C1243 PolarHBondContact O-SG 2.98Å; C1243-R1245 VanDerWaalsContact C-N 3.34Å; C1243-S1247 WeakPolarHBondContact O-CA 3.46Å; C1243-S1247 PolarHBondContact O-N 3.18Å; C1243-C1248 WeakPolarHBondContact CA-O 3.5Å; C1243-C1248 VanDerWaalsContact CB-O 3.3Å; C1243-C1248 WeakPolarHBondContact CB-O 3.48Å; C1243-C1248 PolarHBondContact O-N 2.82Å; C1243-V1250 PolarHBondContact SG-N 2.78Å
1244S92.6Very high92.3Very high35 Ų3536.5 Ų36.525%0.24520%0.201CC..Hα-helixtrans-73.8-21.8176.4-171.10000113.9R1195 L1240 A1242R1195-S1244 PolarHBondContact NH2-OG 3.28Å; L1240-S1244 VanDerWaalsContact O-CB 3.24Å; L1240-S1244 WeakPolarHBondContact O-CB 3.47Å; L1240-S1244 PolarHBondContact O-N 3.24Å; A1242-S1244 PolarHBondContact O-N 2.91Å
1245R89.8Confident92.2Very high139 Ų13936.7 Ų36.753%0.52520%0.202SC..Hα-helixtrans-83.1-49.9174.7-177.1-177.260.2-106.6-10.9110.5Y1098 D1241 A1242 C1243 S1247Y1098-R1245 PolarHBondContact OH-NH2 3.31Å; D1241-R1245 PolarHBondContact O-N 2.85Å; A1242-R1245 PolarHBondContact O-N 3.26Å; C1243-R1245 VanDerWaalsContact C-N 3.34Å; R1245-S1247 PolarHBondContact O-N 3.21Å; R1245-S1247 VanDerWaalsContact O-N 3.17Å
1246E90Very high92.1Very high81 Ų8136.7 Ų36.738%0.37920%0.202SC..THydrogen-bonded Turntrans-73.1-4.5178.2-45.6-42.7145.400113A1242 C1248 V1250A1242-E1246 WeakPolarHBondContact O-CG 3.27Å; A1242-E1246 PolarHBondContact O-N 3.4Å; E1246-C1248 PolarHBondContact O-N 3.5Å; E1246-C1248 PolarHBondContact O-SG 3.19Å; E1246-V1250 HydrophobicContact CB-CG1 4.01Å; E1246-V1250 HydrophobicContact CG-CG1 3.62Å
1247S89.4Confident92Very high97 Ų9735.9 Ų35.968%0.67820%0.198SC*.THydrogen-bonded Turntrans53.323.2-176.9-60.10000114.7C1243 R1245C1243-S1247 WeakPolarHBondContact O-CA 3.46Å; C1243-S1247 PolarHBondContact O-N 3.18Å; R1245-S1247 PolarHBondContact O-N 3.21Å; R1245-S1247 VanDerWaalsContact O-N 3.17Å
1248C92.2Very high91.6Very high64 Ų6435 Ų3543%0.43220%0.199SC..SBendtrans-151.3169.8-179.363.90000110.6C1243 E1246 V1250C1243-C1248 WeakPolarHBondContact CA-O 3.5Å; C1243-C1248 VanDerWaalsContact CB-O 3.3Å; C1243-C1248 WeakPolarHBondContact CB-O 3.48Å; C1243-C1248 PolarHBondContact O-N 2.82Å; E1246-C1248 PolarHBondContact O-N 3.5Å; E1246-C1248 PolarHBondContact O-SG 3.19Å; C1248-V1250 PolarHBondContact O-N 2.66Å
1249W93Very high91.3Very high54 Ų5434.3 Ų34.321%0.20519%0.194CC..  trans-78.1111.2177.1-62.8100.5000110.6Y1174 I1176 V1193 L1196 Y1239 L1240Y1174-W1249 HydrophobicContact CD1-CD2 4.03Å; Y1174-W1249 AromaticContact CD1-CE3 3.84Å; Y1174-W1249 HydrophobicContact CD1-CE3 3.84Å; Y1174-W1249 HydrophobicContact CD1-CZ3 4.15Å; Y1174-W1249 AromaticContact CD2-CD1 3.71Å; Y1174-W1249 AromaticContact CD2-CD2 3.55Å; Y1174-W1249 HydrophobicContact CD2-CD2 3.55Å; Y1174-W1249 AromaticContact CD2-CE2 3.47Å; Y1174-W1249 VanDerWaalsContact CD2-CE2 3.47Å; Y1174-W1249 HydrophobicContact CD2-CE3 4.2Å; Y1174-W1249 AromaticContact CD2-CG 3.71Å; Y1174-W1249 HydrophobicContact CD2-CG 3.71Å; Y1174-W1249 HydrophobicContact CD2-CZ2 4.08Å; Y1174-W1249 AromaticContact CD2-NE1 3.57Å; Y1174-W1249 HydrophobicContact CE1-CB 4.41Å; Y1174-W1249 HydrophobicContact CE1-CD2 4.15Å; Y1174-W1249 HydrophobicContact CE1-CE3 4.06Å; Y1174-W1249 HydrophobicContact CE1-CG 4.32Å; Y1174-W1249 HydrophobicContact CE2-CB 3.75Å; Y1174-W1249 AromaticContact CE2-CD1 3.48Å; Y1174-W1249 VanDerWaalsContact CE2-CD1 3.48Å; Y1174-W1249 AromaticContact CE2-CD2 3.64Å; Y1174-W1249 HydrophobicContact CE2-CD2 3.64Å; Y1174-W1249 AromaticContact CE2-CE2 3.98Å; Y1174-W1249 HydrophobicContact CE2-CE3 4.37Å; Y1174-W1249 AromaticContact CE2-CG 3.31Å; Y1174-W1249 HydrophobicContact CE2-CG 3.31Å; Y1174-W1249 AromaticContact CE2-NE1 3.86Å; Y1174-W1249 AromaticContact CG-CD2 3.75Å; Y1174-W1249 HydrophobicContact CG-CD2 3.75Å; Y1174-W1249 AromaticContact CG-CE2 3.75Å; Y1174-W1249 AromaticContact CG-CE3 3.92Å; Y1174-W1249 HydrophobicContact CG-CE3 3.92Å; Y1174-W1249 HydrophobicContact CG-CG 4.34Å; Y1174-W1249 HydrophobicContact CG-CH2 4.16Å; Y1174-W1249 AromaticContact CG-CZ2 3.97Å; Y1174-W1249 HydrophobicContact CG-CZ2 3.97Å; Y1174-W1249 HydrophobicContact CG-CZ3 4.14Å; Y1174-W1249 AromaticContact CZ-CD2 3.94Å; Y1174-W1249 AromaticContact CZ-CG 3.66Å; I1176-W1249 HydrophobicContact CD1-CH2 3.76Å; I1176-W1249 HydrophobicContact CD1-CZ3 3.59Å; V1193-W1249 HydrophobicContact CB-CH2 4.44Å; V1193-W1249 HydrophobicContact CG1-CH2 4.23Å; V1193-W1249 HydrophobicContact CG2-CH2 4.25Å; L1196-W1249 HydrophobicContact CB-CD2 4.36Å; L1196-W1249 HydrophobicContact CB-CH2 4.05Å; L1196-W1249 HydrophobicContact CB-CZ2 3.38Å; L1196-W1249 HydrophobicContact CD1-CE3 4.45Å; L1196-W1249 HydrophobicContact CD1-CH2 4.23Å; L1196-W1249 HydrophobicContact CD1-CZ2 4.3Å; L1196-W1249 HydrophobicContact CD1-CZ3 4.3Å; L1196-W1249 HydrophobicContact CG-CZ2 4.5Å; L1196-W1249 PolarHBondContact O-NE1 2.97Å; Y1239-W1249 HydrophobicContact CE1-CE3 4.06Å; Y1239-W1249 HydrophobicContact CE1-CZ3 4.14Å; L1240-W1249 HydrophobicContact CD2-CZ3 3.99Å
1250V92.5Very high90.5Very high17 Ų1739.1 Ų39.110%0.10323%0.225CC..  trans-79.8166.7176.1-50.50000111.6Y1239 A1242 C1243 E1246 C1248 E1252 Y1255Y1239-V1250 HydrophobicContact CD2-CG2 3.97Å; Y1239-V1250 HydrophobicContact CE2-CG2 3.67Å; Y1239-V1250 VanDerWaalsContact CE2-O 3.3Å; Y1239-V1250 WeakPolarHBondContact CE2-O 3.29Å; Y1239-V1250 PolarHBondContact OH-O 3.21Å; A1242-V1250 HydrophobicContact CB-CG2 4.12Å; C1243-V1250 PolarHBondContact SG-N 2.78Å; E1246-V1250 HydrophobicContact CB-CG1 4.01Å; E1246-V1250 HydrophobicContact CG-CG1 3.62Å; C1248-V1250 PolarHBondContact O-N 2.66Å; V1250-E1252 PolarHBondContact O-N 3.09Å; V1250-Y1255 HydrophobicContact CG2-CD2 4.16Å; V1250-Y1255 HydrophobicContact CG2-CE2 3.65Å
1251D91.9Very high89.7Confident93 Ų9340 Ų4050%0.49723%0.234SC..  trans-56.1134.9174.217167.4000112.1A1253 A1254 Y1255D1251-A1253 WeakPolarHBondContact OD2-CA 3.34Å; D1251-A1253 VanDerWaalsContact OD2-CB 3.29Å; D1251-A1253 WeakPolarHBondContact OD2-CB 3.47Å; D1251-A1253 PolarHBondContact OD2-N 3.39Å; D1251-A1254 PolarHBondContact OD2-N 2.83Å; D1251-Y1255 WeakPolarHBondContact O-CD2 3.48Å
1252E93.1Very high89.3Confident5 Ų537.6 Ų37.62%0.02322%0.221CC..SBendtrans-80.7-23.7-176.6-52.4103.6138.800112.9R1172 H1212 W1233 L1235 Y1239 V1250 A1254 Y1255 E1256R1172-E1252 IonicContact CZ-OE1 3.74Å; R1172-E1252 IonicContact CZ-OE2 3.75Å; R1172-E1252 IonicContact NH1-OE1 3.73Å; R1172-E1252 PolarHBondContact NH1-OE1 2.96Å; R1172-E1252 IonicContact NH1-OE2 3.74Å; R1172-E1252 PolarHBondContact NH1-OE2 2.81Å; H1212-E1252 IonicContact NE2-OE1 3.51Å; H1212-E1252 PolarHBondContact NE2-OE1 3.01Å; W1233-E1252 HydrophobicContact CD2-CB 3.77Å; W1233-E1252 HydrophobicContact CD2-CG 4.42Å; W1233-E1252 HydrophobicContact CE3-CB 3.83Å; W1233-E1252 HydrophobicContact CG-CB 4.45Å; W1233-E1252 HydrophobicContact CH2-CB 3.71Å; W1233-E1252 HydrophobicContact CZ2-CB 3.66Å; W1233-E1252 HydrophobicContact CZ2-CG 4.33Å; W1233-E1252 HydrophobicContact CZ3-CB 3.79Å; L1235-E1252 HydrophobicContact CD1-CB 4.2Å; L1235-E1252 HydrophobicContact CD1-CG 4.4Å; L1235-E1252 HydrophobicContact CD2-CB 4.28Å; Y1239-E1252 HydrophobicContact CE2-CB 4.42Å; Y1239-E1252 HydrophobicContact CE2-CG 4.08Å; V1250-E1252 PolarHBondContact O-N 3.09Å; E1252-A1254 PolarHBondContact O-N 3.48Å; E1252-Y1255 PolarHBondContact O-N 3.47Å; E1252-E1256 PolarHBondContact O-N 2.89Å
1253A90.5Very high88.6Confident27 Ų2740 Ų4022%0.22323%0.232CC..THydrogen-bonded Turntrans-72.5-23.7-168.700000114.5W1233 D1251 R1298W1233-A1253 HydrophobicContact CH2-CB 4.04Å; W1233-A1253 HydrophobicContact CZ3-CB 4.39Å; D1251-A1253 WeakPolarHBondContact OD2-CA 3.34Å; D1251-A1253 VanDerWaalsContact OD2-CB 3.29Å; D1251-A1253 WeakPolarHBondContact OD2-CB 3.47Å; D1251-A1253 PolarHBondContact OD2-N 3.39Å; A1253-R1298 PolarHBondContact O-NH1 3.37Å; A1253-R1298 VanDerWaalsContact O-NH1 3.1Å
1254A87.5Confident87.6Confident37 Ų3742.3 Ų42.331%0.30625%0.247SC..THydrogen-bonded Turntrans-72.9-29.8172.200000113.3D1251 E1252 G1261D1251-A1254 PolarHBondContact OD2-N 2.83Å; E1252-A1254 PolarHBondContact O-N 3.48Å; A1254-G1261 WeakPolarHBondContact O-CA 3.45Å
1255Y92.9Very high86.7Confident5 Ų540.9 Ų40.92%0.0224%0.237CC..THydrogen-bonded Turntrans-104-0.1-173.1-59.6-86.7000113.8W1096 L1235 H1236 S1238 Y1239 A1242 V1250 D1251 E1252 T1262W1096-Y1255 AromaticContact CD1-CE1 3.97Å; W1096-Y1255 AromaticContact CD2-CE1 3.94Å; W1096-Y1255 HydrophobicContact CD2-CE1 3.94Å; W1096-Y1255 AromaticContact CE2-CE1 3.7Å; W1096-Y1255 HydrophobicContact CG-CE1 4.16Å; W1096-Y1255 HydrophobicContact CZ2-CD1 4.25Å; W1096-Y1255 HydrophobicContact CZ2-CE1 4.2Å; W1096-Y1255 AromaticContact NE1-CE1 3.69Å; L1235-Y1255 WeakPolarHBondContact CA-O 3.46Å; H1236-Y1255 PolarHBondContact N-O 2.99Å; S1238-Y1255 WeakPolarHBondContact O-CE1 3.17Å; Y1239-Y1255 AromaticContact CD2-CD2 3.7Å; Y1239-Y1255 HydrophobicContact CD2-CD2 3.7Å; Y1239-Y1255 HydrophobicContact CD2-CE2 4.48Å; Y1239-Y1255 AromaticContact CD2-CG 3.91Å; Y1239-Y1255 HydrophobicContact CD2-CG 3.91Å; Y1239-Y1255 HydrophobicContact CE2-CD2 4.45Å; Y1239-Y1255 HydrophobicContact CG-CG 4.5Å; A1242-Y1255 HydrophobicContact CB-CE1 4.01Å; A1242-Y1255 HydrophobicContact CB-CE2 4.29Å; A1242-Y1255 VanDerWaalsContact CB-OH 3.27Å; A1242-Y1255 WeakPolarHBondContact CB-OH 3.43Å; V1250-Y1255 HydrophobicContact CG2-CD2 4.16Å; V1250-Y1255 HydrophobicContact CG2-CE2 3.65Å; D1251-Y1255 WeakPolarHBondContact O-CD2 3.48Å; E1252-Y1255 PolarHBondContact O-N 3.47Å; Y1255-T1262 WeakPolarHBondContact O-CG2 3.31Å
1256E94.2Very high85.9Confident0 Ų034.3 Ų34.30%021%0.212CC..BIsolated β-bridgetrans-72.2133.9179.2-172.9-168.4-160.100112.8W1233 M1234 L1235 E1252 G1258 G1259 T1262 R1298 R1301W1233-E1256 HydrophobicContact CE3-CB 4.18Å; W1233-E1256 HydrophobicContact CE3-CG 4.03Å; W1233-E1256 HydrophobicContact CZ3-CB 4.01Å; W1233-E1256 HydrophobicContact CZ3-CG 4.14Å; M1234-E1256 WeakPolarHBondContact O-CA 3.35Å; L1235-E1256 HydrophobicContact CD2-CB 3.86Å; L1235-E1256 HydrophobicContact CD2-CG 4.32Å; E1252-E1256 PolarHBondContact O-N 2.89Å; E1256-G1258 PolarHBondContact O-N 3.12Å; E1256-G1259 PolarHBondContact O-N 2.96Å; E1256-T1262 WeakPolarHBondContact O-CB 3.22Å; E1256-T1262 WeakPolarHBondContact O-CG2 3.38Å; E1256-T1262 PolarHBondContact O-OG1 3.09Å; E1256-R1298 WeakPolarHBondContact OE1-CA 3.48Å; E1256-R1298 WeakPolarHBondContact OE1-CB 3.38Å; E1256-R1298 WeakPolarHBondContact OE2-CD 3.26Å; E1256-R1298 VanDerWaalsContact OE2-CG 3.29Å; E1256-R1298 WeakPolarHBondContact OE2-CG 3.4Å; E1256-R1298 IonicContact OE2-CZ 2.67Å; E1256-R1298 IonicContact OE2-NE 3.35Å; E1256-R1298 IonicContact OE2-NH1 2.66Å; E1256-R1298 PolarHBondContact OE2-NH1 3.34Å; E1256-R1301 VanDerWaalsContact CD-NH2 3.33Å; E1256-R1301 IonicContact OE1-CZ 2.7Å; E1256-R1301 IonicContact OE1-NE 2.63Å; E1256-R1301 PolarHBondContact OE1-NE 2.92Å; E1256-R1301 IonicContact OE1-NH2 2.7Å; E1256-R1301 PolarHBondContact OE1-NH2 2.85Å; E1256-R1301 IonicContact OE2-CZ 2.78Å; E1256-R1301 IonicContact OE2-NE 2.72Å; E1256-R1301 IonicContact OE2-NH2 3.45Å; E1256-R1301 PolarHBondContact OE2-NH2 3.37Å
1257W91.2Very high84.9Confident0 Ų034.7 Ų34.70%022%0.215CC..THydrogen-bonded Turntrans-59.7125.4171.3-75.2111.3000112.2V1215 Y1216 P1218 M1234 L1235 H1236 G1259 T1262 L1265 L1266 L1269 A1294V1215-W1257 PolarHBondContact O-NE1 3.43Å; Y1216-W1257 VanDerWaalsContact O-CZ2 3.24Å; Y1216-W1257 WeakPolarHBondContact O-CZ2 3.49Å; P1218-W1257 HydrophobicContact CG-CB 4.08Å; P1218-W1257 HydrophobicContact CG-CD2 3.76Å; P1218-W1257 HydrophobicContact CG-CE3 4.17Å; P1218-W1257 HydrophobicContact CG-CG 3.72Å; M1234-W1257 PolarHBondContact O-N 3.35Å; L1235-W1257 PolarHBondContact O-NE1 2.86Å; H1236-W1257 HydrophobicContact CB-CH2 4.49Å; H1236-W1257 HydrophobicContact CB-CZ2 3.83Å; H1236-W1257 AromaticContact CD2-CZ2 3.59Å; H1236-W1257 AromaticContact CG-CZ2 3.99Å; W1257-G1259 VanDerWaalsContact C-N 3.26Å; W1257-T1262 VanDerWaalsContact CA-OG1 3.3Å; W1257-T1262 WeakPolarHBondContact CA-OG1 3.39Å; W1257-T1262 HydrophobicContact CE3-CG2 4.46Å; W1257-L1265 HydrophobicContact CH2-CB 4.4Å; W1257-L1265 HydrophobicContact CZ3-CB 4.23Å; W1257-L1266 HydrophobicContact CE3-CD1 4.4Å; W1257-L1266 HydrophobicContact CE3-CD2 3.67Å; W1257-L1266 HydrophobicContact CE3-CG 3.89Å; W1257-L1266 HydrophobicContact CZ3-CD2 3.7Å; W1257-L1266 HydrophobicContact CZ3-CG 3.89Å; W1257-L1269 HydrophobicContact CH2-CD1 3.58Å; W1257-L1269 HydrophobicContact CZ3-CD1 4.05Å; W1257-A1294 HydrophobicContact CB-CB 4.21Å; W1257-A1294 VanDerWaalsContact O-O 3.05Å
1258G85Confident83.9Confident15 Ų1535.5 Ų35.516%0.15521%0.208CC..THydrogen-bonded Turntrans81.33.1-174.300000113.9E1256 T1262 R1298E1256-G1258 PolarHBondContact O-N 3.12Å; G1258-T1262 PolarHBondContact N-OG1 3.35Å; G1258-R1298 WeakPolarHBondContact O-CD 3.22Å
1259G84.2Confident82.5Confident1 Ų135.1 Ų35.11%0.0120%0.202CC..SBendtrans-82.7162.5166.300000112.8E1256 W1257 G1261 T1262 E1263E1256-G1259 PolarHBondContact O-N 2.96Å; W1257-G1259 VanDerWaalsContact C-N 3.26Å; G1259-G1261 PolarHBondContact O-N 3.3Å; G1259-G1261 VanDerWaalsContact O-N 3.12Å; G1259-T1262 PolarHBondContact O-N 3.11Å; G1259-T1262 PolarHBondContact O-OG1 3.02Å; G1259-E1263 PolarHBondContact O-N 2.97Å; G1259-E1263 VanDerWaalsContact O-N 3.1Å
1260P77.5Confident80.9Confident101 Ų10132.6 Ų32.666%0.65619%0.192SC*.THydrogen-bonded Turntrans-59.9-28.1-175.625.1-34.5000113.2
1261G77.7Confident78.8Confident18 Ų1836.1 Ų36.119%0.18622%0.215CC..THydrogen-bonded Turntrans-73.3-35175.100000114.4W1096 A1254 G1259 P1264W1096-G1261 VanDerWaalsContact CH2-O 3.25Å; W1096-G1261 WeakPolarHBondContact CH2-O 3.29Å; W1096-G1261 WeakPolarHBondContact CZ3-O 3.46Å; A1254-G1261 WeakPolarHBondContact O-CA 3.45Å; G1259-G1261 PolarHBondContact O-N 3.3Å; G1259-G1261 VanDerWaalsContact O-N 3.12Å; G1261-P1264 WeakPolarHBondContact O-CD 3.17Å
1262T84.7Confident76.4Confident0 Ų038.4 Ų38.40%022%0.221CC..THydrogen-bonded Turntrans-90.2-9.9178.664.10000113.8H1236 Y1255 E1256 W1257 G1258 G1259 P1264 L1265 L1266H1236-T1262 HydrophobicContact CB-CG2 4.4Å; Y1255-T1262 WeakPolarHBondContact O-CG2 3.31Å; E1256-T1262 WeakPolarHBondContact O-CB 3.22Å; E1256-T1262 WeakPolarHBondContact O-CG2 3.38Å; E1256-T1262 PolarHBondContact O-OG1 3.09Å; W1257-T1262 VanDerWaalsContact CA-OG1 3.3Å; W1257-T1262 WeakPolarHBondContact CA-OG1 3.39Å; W1257-T1262 HydrophobicContact CE3-CG2 4.46Å; G1258-T1262 PolarHBondContact N-OG1 3.35Å; G1259-T1262 PolarHBondContact O-N 3.11Å; G1259-T1262 PolarHBondContact O-OG1 3.02Å; T1262-P1264 VanDerWaalsContact C-N 3.34Å; T1262-L1265 CarbonylContact O-C 3.56Å; T1262-L1265 WeakPolarHBondContact O-CA 3.37Å; T1262-L1265 WeakPolarHBondContact O-CB 3.34Å; T1262-L1265 PolarHBondContact O-N 3.46Å; T1262-L1266 PolarHBondContact O-N 2.8Å
1263E77.1Confident73.7Confident51 Ų5142.1 Ų42.124%0.23825%0.245CC..Hα-helixtrans-55.4-38.7177-166.262-153.900113.6G1259 L1265 L1266 M1267G1259-E1263 PolarHBondContact O-N 2.97Å; G1259-E1263 VanDerWaalsContact O-N 3.1Å; E1263-L1265 PolarHBondContact O-N 3.49Å; E1263-L1266 WeakPolarHBondContact O-CB 3.39Å; E1263-L1266 PolarHBondContact O-N 2.95Å; E1263-M1267 HydrophobicContact CG-CE 4.16Å; E1263-M1267 WeakPolarHBondContact O-CG 3.48Å; E1263-M1267 PolarHBondContact O-N 3.36Å
1264P72.7Confident71.1Confident48 Ų4844.5 Ų44.531%0.31226%0.26SS..Hα-helixtrans-62.9-36.6170.8-23.435.2000114.1G1261 T1262 M1267 Q1268G1261-P1264 WeakPolarHBondContact O-CD 3.17Å; T1262-P1264 VanDerWaalsContact C-N 3.34Å; P1264-M1267 PolarHBondContact O-N 2.9Å; P1264-Q1268 WeakPolarHBondContact O-CG 3.35Å; P1264-Q1268 PolarHBondContact O-N 3.13Å; P1264-Q1268 VanDerWaalsContact O-N 3.1Å
1265L73.7Confident68.5Low6 Ų648 Ų483%0.03128%0.279CS..Hα-helixtrans-68.3-37.5173.7-72.5166.8000110.8I1092 V1094 W1096 W1257 T1262 E1263 Q1268 L1269I1092-L1265 HydrophobicContact CG2-CD2 4.41Å; V1094-L1265 HydrophobicContact CG2-CD2 3.66Å; V1094-L1265 HydrophobicContact CG2-CG 4.14Å; W1096-L1265 HydrophobicContact CH2-CD1 4.21Å; W1096-L1265 HydrophobicContact CZ2-CD1 4.29Å; W1257-L1265 HydrophobicContact CH2-CB 4.4Å; W1257-L1265 HydrophobicContact CZ3-CB 4.23Å; T1262-L1265 CarbonylContact O-C 3.56Å; T1262-L1265 WeakPolarHBondContact O-CA 3.37Å; T1262-L1265 WeakPolarHBondContact O-CB 3.34Å; T1262-L1265 PolarHBondContact O-N 3.46Å; E1263-L1265 PolarHBondContact O-N 3.49Å; L1265-Q1268 PolarHBondContact O-N 3.39Å; L1265-L1269 WeakPolarHBondContact O-CB 3.32Å; L1265-L1269 WeakPolarHBondContact O-CG 3.23Å; L1265-L1269 PolarHBondContact O-N 3.35Å
1266L73.5Confident65.7Low0 Ų054.6 Ų54.60%032%0.323CS..Hα-helixtrans-64.7-41.2173.7-72.2168.4000111.7W1257 T1262 E1263 Q1268 L1269 S1270 I1290 R1291 A1294W1257-L1266 HydrophobicContact CE3-CD1 4.4Å; W1257-L1266 HydrophobicContact CE3-CD2 3.67Å; W1257-L1266 HydrophobicContact CE3-CG 3.89Å; W1257-L1266 HydrophobicContact CZ3-CD2 3.7Å; W1257-L1266 HydrophobicContact CZ3-CG 3.89Å; T1262-L1266 PolarHBondContact O-N 2.8Å; E1263-L1266 WeakPolarHBondContact O-CB 3.39Å; E1263-L1266 PolarHBondContact O-N 2.95Å; L1266-Q1268 VanDerWaalsContact C-N 3.29Å; L1266-Q1268 PolarHBondContact O-N 2.97Å; L1266-L1269 PolarHBondContact O-N 2.98Å; L1266-S1270 WeakPolarHBondContact O-CA 3.16Å; L1266-S1270 WeakPolarHBondContact O-CB 3.19Å; L1266-S1270 PolarHBondContact O-N 3.04Å; L1266-S1270 PolarHBondContact O-OG 3.34Å; L1266-I1290 HydrophobicContact CD2-CG2 4.26Å; L1266-R1291 HydrophobicContact CB-CG 4.3Å; L1266-A1294 HydrophobicContact CD1-CB 3.59Å; L1266-A1294 HydrophobicContact CD2-CB 3.49Å; L1266-A1294 VanDerWaalsContact CD2-CB 3.49Å; L1266-A1294 HydrophobicContact CG-CB 4.18Å
1267M68.6Low63Low89 Ų8958.2 Ų58.244%0.43836%0.36SS..Hα-helixtrans-64.3-31.5173.3-69.7-173.5-175.500112.9E1263 P1264 S1270 P1271 F1272E1263-M1267 HydrophobicContact CG-CE 4.16Å; E1263-M1267 WeakPolarHBondContact O-CG 3.48Å; E1263-M1267 PolarHBondContact O-N 3.36Å; P1264-M1267 PolarHBondContact O-N 2.9Å; M1267-S1270 CarbonylContact O-C 3.58Å; M1267-S1270 VanDerWaalsContact O-C 3.23Å; M1267-P1271 WeakPolarHBondContact O-CA 3.25Å; M1267-F1272 HydrophobicContact CE-CE2 4.34Å
1268Q67.9Low60.2Low114 Ų11459.6 Ų59.653%0.53338%0.375SS..Hα-helixtrans-74.6-44.8174.3-72.9175.4-12.100112.6P1264 L1265 L1266 S1270P1264-Q1268 WeakPolarHBondContact O-CG 3.35Å; P1264-Q1268 PolarHBondContact O-N 3.13Å; P1264-Q1268 VanDerWaalsContact O-N 3.1Å; L1265-Q1268 PolarHBondContact O-N 3.39Å; L1266-Q1268 VanDerWaalsContact C-N 3.29Å; L1266-Q1268 PolarHBondContact O-N 2.97Å; Q1268-S1270 VanDerWaalsContact C-N 3.25Å; Q1268-S1270 PolarHBondContact O-N 3.2Å
1269L62.7Low57.7Low57 Ų5763 Ų6330%0.29839%0.394SS..Hα-helixtrans-73.2-17.7176.6-68.1172.1000113.1A1217 W1257 L1265 L1266A1217-L1269 HydrophobicContact CB-CD1 4.36Å; W1257-L1269 HydrophobicContact CH2-CD1 3.58Å; W1257-L1269 HydrophobicContact CZ3-CD1 4.05Å; L1265-L1269 WeakPolarHBondContact O-CB 3.32Å; L1265-L1269 WeakPolarHBondContact O-CG 3.23Å; L1265-L1269 PolarHBondContact O-N 3.35Å; L1266-L1269 PolarHBondContact O-N 2.98Å
1270S60.6Low55.6Low0 Ų067.3 Ų67.30%042%0.42CS..SBendtrans-146.184.2177.864.50000110.1L1266 M1267 Q1268 A1287 R1291L1266-S1270 WeakPolarHBondContact O-CA 3.16Å; L1266-S1270 WeakPolarHBondContact O-CB 3.19Å; L1266-S1270 PolarHBondContact O-N 3.04Å; L1266-S1270 PolarHBondContact O-OG 3.34Å; M1267-S1270 CarbonylContact O-C 3.58Å; M1267-S1270 VanDerWaalsContact O-C 3.23Å; Q1268-S1270 VanDerWaalsContact C-N 3.25Å; Q1268-S1270 PolarHBondContact O-N 3.2Å; S1270-A1287 WeakPolarHBondContact CB-O 3.49Å; S1270-R1291 PolarHBondContact O-NE 3.21Å; S1270-R1291 PolarHBondContact O-NH2 3.35Å; S1270-R1291 PolarHBondContact OG-NE 3.35Å
1271P47.8Very low54Low91 Ų9168.7 Ų68.759%0.59142%0.421SS*.PPolyproline II helixtrans-58.6158174.622.3-32.7000112M1267 R1291M1267-P1271 WeakPolarHBondContact O-CA 3.25Å; P1271-R1291 PolarHBondContact O-NH2 2.81Å
1272F40.7Very low52.6Low142 Ų14270.7 Ų70.762%0.62343%0.432SS*.PPolyproline II helixtrans-62.8152.9175.8-99.4-102.2000111.4M1267 C1274M1267-F1272 HydrophobicContact CE-CE2 4.34Å; F1272-C1274 PolarHBondContact O-N 2.57Å
1273P37.7Very low50.9Low82 Ų8276.3 Ų76.353%0.53246%0.459SS..PPolyproline II helixtrans-60.5125.9176.5-18.431.7000110
1274C34.8Very low49.8Very low78 Ų7877.3 Ų77.353%0.52746%0.463SS..PPolyproline II helixtrans-59.6154.2164.5-680000109.9F1272F1272-C1274 PolarHBondContact O-N 2.57Å
1275P33.5Very low49.4Very low109 Ų10980.5 Ų80.571%0.70847%0.474SS*.SBendtrans-53.815317224-34.5000111.1G1277P1275-G1277 PolarHBondContact O-N 3.27Å
1276P33.8Very low49Very low144 Ų14486.6 Ų86.694%0.93550%0.5SS*.THydrogen-bonded Turntrans-58.2103.5-169.922.5-33.8000111.8
1277G37Very low48.7Very low76 Ų7687.4 Ų87.478%0.78451%0.507SS*.THydrogen-bonded Turntrans177.6-18.9-170.900000114.6P1275P1275-G1277 PolarHBondContact O-N 3.27Å
1278G32.6Very low48.9Very low30 Ų3085.1 Ų85.131%0.30950%0.502SS..  trans161.4177.8168.300000113.6
1279P33.1Very low49.4Very low87 Ų8784.1 Ų84.157%0.56550%0.497SS*.SBendcis-81.7-161.5-12.937.2-36.4000111.4H1283P1279-H1283 HydrophobicContact CG-CB 4.43Å
1280T40.6Very low50.4Low91 Ų9183.5 Ų83.556%0.55849%0.494SS*.  trans-54.5142.3-17748.10000114.2S1282 H1283T1280-S1282 PolarHBondContact O-N 3.17Å; T1280-H1283 PolarHBondContact O-N 2.82Å
1281L42.8Very low51.5Low129 Ų12984.9 Ų84.968%0.67550%0.499SS*.Hα-helixtrans-46.8-37.5-177.4-90.175000113.7H1283 Q1284 Q1285L1281-H1283 VanDerWaalsContact C-N 3.28Å; L1281-H1283 PolarHBondContact O-N 2.87Å; L1281-Q1284 PolarHBondContact O-N 3.34Å; L1281-Q1285 WeakPolarHBondContact O-CB 3.47Å; L1281-Q1285 WeakPolarHBondContact O-CG 3.32Å; L1281-Q1285 PolarHBondContact O-N 2.86Å
1282S49.4Very low53.3Low60 Ų6083.2 Ų83.242%0.4249%0.485SS..Hα-helixtrans-63.4-27.5-176.954.90000114.2T1280 K1286T1280-S1282 PolarHBondContact O-N 3.17Å; S1282-K1286 VanDerWaalsContact O-CG 3.31Å; S1282-K1286 WeakPolarHBondContact O-CG 3.45Å; S1282-K1286 PolarHBondContact O-N 3.39Å
1283H48.3Very low55.6Low119 Ų11976.6 Ų76.655%0.55146%0.456SS*.Hα-helixtrans-77.9-43.6174.2-88.9-86.5000112.1P1279 T1280 L1281 Q1285 K1286 A1287P1279-H1283 HydrophobicContact CG-CB 4.43Å; T1280-H1283 PolarHBondContact O-N 2.82Å; L1281-H1283 VanDerWaalsContact C-N 3.28Å; L1281-H1283 PolarHBondContact O-N 2.87Å; H1283-Q1285 VanDerWaalsContact C-N 3.34Å; H1283-Q1285 PolarHBondContact O-N 3.3Å; H1283-K1286 PolarHBondContact O-N 3.44Å; H1283-A1287 WeakPolarHBondContact O-CB 3.22Å; H1283-A1287 PolarHBondContact O-N 3.2Å
1284Q54.5Low58Low72 Ų7272.7 Ų72.734%0.33643%0.431SS..Hα-helixtrans-62.6-41.2175.7-67.4-172.3-11.300111.5L1281 A1287 A1288L1281-Q1284 PolarHBondContact O-N 3.34Å; Q1284-A1287 PolarHBondContact O-N 2.9Å; Q1284-A1288 PolarHBondContact O-N 2.93Å
1285Q63.6Low60.6Low114 Ų11473.1 Ų73.153%0.53342%0.421SS..Hα-helixtrans-62.6-42.7175.6-74.4174.9-18.200112.9L1281 H1283 Q1289L1281-Q1285 WeakPolarHBondContact O-CB 3.47Å; L1281-Q1285 WeakPolarHBondContact O-CG 3.32Å; L1281-Q1285 PolarHBondContact O-N 2.86Å; H1283-Q1285 VanDerWaalsContact C-N 3.34Å; H1283-Q1285 PolarHBondContact O-N 3.3Å; Q1285-Q1289 WeakPolarHBondContact O-CG 3.5Å; Q1285-Q1289 PolarHBondContact O-N 3.34Å
1286K64.7Low63.2Low134 Ų13468 Ų6858%0.58339%0.388SS*.Hα-helixtrans-64.1-43.6174.7-78.3178.1178.4-1760112S1282 H1283 Q1289 I1290S1282-K1286 VanDerWaalsContact O-CG 3.31Å; S1282-K1286 WeakPolarHBondContact O-CG 3.45Å; S1282-K1286 PolarHBondContact O-N 3.39Å; H1283-K1286 PolarHBondContact O-N 3.44Å; K1286-Q1289 PolarHBondContact O-N 3.13Å; K1286-I1290 WeakPolarHBondContact O-CG1 3.18Å; K1286-I1290 PolarHBondContact O-N 3.18Å; K1286-I1290 VanDerWaalsContact O-N 3.17Å
1287A67.5Low65.9Low18 Ų1861.2 Ų61.215%0.14934%0.344CS..Hα-helixtrans-60.4-46.7178.400000111.7S1270 H1283 Q1284 I1290 R1291S1270-A1287 WeakPolarHBondContact CB-O 3.49Å; H1283-A1287 WeakPolarHBondContact O-CB 3.22Å; H1283-A1287 PolarHBondContact O-N 3.2Å; Q1284-A1287 PolarHBondContact O-N 2.9Å; A1287-I1290 PolarHBondContact O-N 2.92Å; A1287-R1291 PolarHBondContact O-N 2.92Å
1288A72.4Confident68.5Low40 Ų4060.2 Ų60.233%0.33132%0.317SS..Hα-helixtrans-59.5-49.4174.300000112Q1284 I1290 R1291 D1292Q1284-A1288 PolarHBondContact O-N 2.93Å; A1288-I1290 VanDerWaalsContact C-N 3.31Å; A1288-I1290 PolarHBondContact O-N 3.03Å; A1288-R1291 WeakPolarHBondContact O-CB 3.39Å; A1288-R1291 PolarHBondContact O-N 3.05Å; A1288-D1292 PolarHBondContact O-N 3.02Å
1289Q79.8Confident71.2Confident94 Ų9464.1 Ų64.144%0.43932%0.322SS..Hα-helixtrans-57.3-38.2-178.8-79-176.622.300113.8Q1285 K1286 L1293Q1285-Q1289 WeakPolarHBondContact O-CG 3.5Å; Q1285-Q1289 PolarHBondContact O-N 3.34Å; K1286-Q1289 PolarHBondContact O-N 3.13Å; Q1289-L1293 WeakPolarHBondContact O-CB 3.06Å; Q1289-L1293 PolarHBondContact O-N 3.1Å
1290I83.9Confident74Confident43 Ų4361.1 Ų61.122%0.22130%0.3CS..Hα-helixtrans-64.1-45.3176.3-66.2166.9000110.2L1266 K1286 A1287 A1288 D1292 L1293 A1294L1266-I1290 HydrophobicContact CD2-CG2 4.26Å; K1286-I1290 WeakPolarHBondContact O-CG1 3.18Å; K1286-I1290 PolarHBondContact O-N 3.18Å; K1286-I1290 VanDerWaalsContact O-N 3.17Å; A1287-I1290 PolarHBondContact O-N 2.92Å; A1288-I1290 VanDerWaalsContact C-N 3.31Å; A1288-I1290 PolarHBondContact O-N 3.03Å; I1290-D1292 PolarHBondContact O-N 3.03Å; I1290-L1293 PolarHBondContact O-N 2.63Å; I1290-A1294 WeakPolarHBondContact O-CB 3.31Å; I1290-A1294 PolarHBondContact O-N 3.31Å
1291R83.7Confident76.5Confident30 Ų3059.1 Ų59.111%0.11328%0.282CS..Hα-helixtrans-65.7-37.2-179.3-138.5-175.1-59.1141.5-2112.1L1266 S1270 P1271 A1287 A1288 R1295L1266-R1291 HydrophobicContact CB-CG 4.3Å; S1270-R1291 PolarHBondContact O-NE 3.21Å; S1270-R1291 PolarHBondContact O-NH2 3.35Å; S1270-R1291 PolarHBondContact OG-NE 3.35Å; P1271-R1291 PolarHBondContact O-NH2 2.81Å; A1287-R1291 PolarHBondContact O-N 2.92Å; A1288-R1291 WeakPolarHBondContact O-CB 3.39Å; A1288-R1291 PolarHBondContact O-N 3.05Å; R1291-R1295 PolarHBondContact O-N 2.86Å; R1291-R1295 VanDerWaalsContact O-N 3.16Å; R1291-R1295 PolarHBondContact O-NE 3.34Å; R1291-R1295 PolarHBondContact O-NH2 3.1Å
1292D84.5Confident78.7Confident55 Ų5558.5 Ų58.529%0.29428%0.278SS..Hα-helixtrans-70.3-44.5174.7-65.4-35.7000112A1288 I1290 A1294 R1295 S1296A1288-D1292 PolarHBondContact O-N 3.02Å; I1290-D1292 PolarHBondContact O-N 3.03Å; D1292-A1294 VanDerWaalsContact C-N 3.28Å; D1292-A1294 PolarHBondContact O-N 3.33Å; D1292-R1295 PolarHBondContact O-N 3.12Å; D1292-R1295 IonicContact OD1-CZ 3.1Å; D1292-R1295 IonicContact OD1-NH1 2.75Å; D1292-R1295 PolarHBondContact OD1-NH1 3.22Å; D1292-R1295 IonicContact OD1-NH2 3.85Å; D1292-R1295 PolarHBondContact OD1-NH2 2.78Å; D1292-S1296 WeakPolarHBondContact O-CB 3.34Å; D1292-S1296 PolarHBondContact O-N 3.26Å; D1292-S1296 PolarHBondContact O-OG 3.45Å
1293L88.9Confident80.5Confident3 Ų360 Ų602%0.01629%0.289CS..Hα-helixtrans-60.6-38.9177.1-133.583.5000112P1218 T1219 R1220 L1228 Q1289 I1290 A1297P1218-L1293 HydrophobicContact CB-CB 4.09Å; P1218-L1293 HydrophobicContact CB-CD2 4.07Å; T1219-L1293 WeakPolarHBondContact O-CD2 3.39Å; R1220-L1293 HydrophobicContact CG-CD1 4.24Å; L1228-L1293 HydrophobicContact CD1-CD2 4.03Å; L1228-L1293 HydrophobicContact CD1-CG 3.88Å; Q1289-L1293 WeakPolarHBondContact O-CB 3.06Å; Q1289-L1293 PolarHBondContact O-N 3.1Å; I1290-L1293 PolarHBondContact O-N 2.63Å; L1293-A1297 PolarHBondContact O-N 3.48Å
1294A89.5Confident82.3Confident0 Ų057 Ų570%029%0.291CS..Hα-helixtrans-66.5-52.617800000112P1218 W1257 L1266 I1290 D1292 S1296 A1297 R1298P1218-A1294 HydrophobicContact CG-CB 4.07Å; W1257-A1294 HydrophobicContact CB-CB 4.21Å; W1257-A1294 VanDerWaalsContact O-O 3.05Å; L1266-A1294 HydrophobicContact CD1-CB 3.59Å; L1266-A1294 HydrophobicContact CD2-CB 3.49Å; L1266-A1294 VanDerWaalsContact CD2-CB 3.49Å; L1266-A1294 HydrophobicContact CG-CB 4.18Å; I1290-A1294 WeakPolarHBondContact O-CB 3.31Å; I1290-A1294 PolarHBondContact O-N 3.31Å; D1292-A1294 VanDerWaalsContact C-N 3.28Å; D1292-A1294 PolarHBondContact O-N 3.33Å; A1294-S1296 PolarHBondContact O-N 3.3Å; A1294-A1297 WeakPolarHBondContact O-CB 3.41Å; A1294-A1297 PolarHBondContact O-N 2.97Å; A1294-A1297 VanDerWaalsContact O-N 3.14Å; A1294-R1298 PolarHBondContact O-N 3.38Å
1295R87.6Confident83.7Confident88 Ų8854 Ų5433%0.33228%0.278SS..Hα-helixtrans-56.7-40.2175.6-84.7-179-84.899.20.7111.8R1291 D1292 R1298 R1299R1291-R1295 PolarHBondContact O-N 2.86Å; R1291-R1295 VanDerWaalsContact O-N 3.16Å; R1291-R1295 PolarHBondContact O-NE 3.34Å; R1291-R1295 PolarHBondContact O-NH2 3.1Å; D1292-R1295 PolarHBondContact O-N 3.12Å; D1292-R1295 IonicContact OD1-CZ 3.1Å; D1292-R1295 IonicContact OD1-NH1 2.75Å; D1292-R1295 PolarHBondContact OD1-NH1 3.22Å; D1292-R1295 IonicContact OD1-NH2 3.85Å; D1292-R1295 PolarHBondContact OD1-NH2 2.78Å; R1295-R1298 PolarHBondContact O-N 3.46Å; R1295-R1299 WeakPolarHBondContact O-CG 3.16Å; R1295-R1299 PolarHBondContact O-N 2.98Å
1296S89.7Confident85Confident1 Ų154.8 Ų54.81%0.00728%0.28CS..Hα-helixtrans-74.1-24.7-179.9-69.50000113.9D1292 A1294 R1299 W1300 L1383 S1384D1292-S1296 WeakPolarHBondContact O-CB 3.34Å; D1292-S1296 PolarHBondContact O-N 3.26Å; D1292-S1296 PolarHBondContact O-OG 3.45Å; A1294-S1296 PolarHBondContact O-N 3.3Å; S1296-R1299 PolarHBondContact O-N 2.89Å; S1296-W1300 PolarHBondContact O-N 3.48Å; S1296-L1383 WeakPolarHBondContact CB-O 3.36Å; S1296-S1384 PolarHBondContact OG-O 3.44Å
1297A90.9Very high86.2Confident2 Ų248.6 Ų48.62%0.01725%0.254CS..Hα-helixtrans-61.2-51.2170.300000111.1L1228 M1234 L1293 A1294 W1300 R1301L1228-A1297 HydrophobicContact CD2-CB 4.07Å; L1228-A1297 HydrophobicContact CG-CB 4.24Å; M1234-A1297 HydrophobicContact CB-CB 4.19Å; M1234-A1297 HydrophobicContact CE-CB 3.73Å; M1234-A1297 HydrophobicContact SD-CB 3.9Å; L1293-A1297 PolarHBondContact O-N 3.48Å; A1294-A1297 WeakPolarHBondContact O-CB 3.41Å; A1294-A1297 PolarHBondContact O-N 2.97Å; A1294-A1297 VanDerWaalsContact O-N 3.14Å; A1297-W1300 PolarHBondContact O-N 3.06Å; A1297-R1301 PolarHBondContact O-N 2.7Å; A1297-R1301 VanDerWaalsContact O-N 3.09Å
1298R90.7Very high87.4Confident55 Ų5547.7 Ų47.721%0.20825%0.247CC..Hα-helixtrans-64.7-40.3175.9-175.4167.2-179.4123.5-16.3112.6A1253 E1256 G1258 A1294 R1295 R1301 L1302A1253-R1298 PolarHBondContact O-NH1 3.37Å; A1253-R1298 VanDerWaalsContact O-NH1 3.1Å; E1256-R1298 WeakPolarHBondContact OE1-CA 3.48Å; E1256-R1298 WeakPolarHBondContact OE1-CB 3.38Å; E1256-R1298 WeakPolarHBondContact OE2-CD 3.26Å; E1256-R1298 VanDerWaalsContact OE2-CG 3.29Å; E1256-R1298 WeakPolarHBondContact OE2-CG 3.4Å; E1256-R1298 IonicContact OE2-CZ 2.67Å; E1256-R1298 IonicContact OE2-NE 3.35Å; E1256-R1298 IonicContact OE2-NH1 2.66Å; E1256-R1298 PolarHBondContact OE2-NH1 3.34Å; G1258-R1298 WeakPolarHBondContact O-CD 3.22Å; A1294-R1298 PolarHBondContact O-N 3.38Å; R1295-R1298 PolarHBondContact O-N 3.46Å; R1298-R1301 PolarHBondContact O-N 2.71Å; R1298-L1302 HydrophobicContact CG-CD1 3.79Å; R1298-L1302 HydrophobicContact CG-CG 4.25Å; R1298-L1302 WeakPolarHBondContact O-CB 3.48Å; R1298-L1302 VanDerWaalsContact O-CG 3.26Å; R1298-L1302 WeakPolarHBondContact O-CG 3.4Å; R1298-L1302 PolarHBondContact O-N 3Å
1299R90Very high88.2Confident112 Ų11251.3 Ų51.342%0.42326%0.256SS..Hα-helixtrans-55-56.1173.7-74.8173.7166.7-143-11.6111.1R1295 S1296 R1301 L1302 S1303 S1385 E1387R1295-R1299 WeakPolarHBondContact O-CG 3.16Å; R1295-R1299 PolarHBondContact O-N 2.98Å; S1296-R1299 PolarHBondContact O-N 2.89Å; R1299-R1301 PolarHBondContact O-N 3.16Å; R1299-L1302 PolarHBondContact O-N 2.91Å; R1299-S1303 PolarHBondContact O-N 2.76Å; R1299-S1303 PolarHBondContact O-OG 3.48Å; R1299-S1385 PolarHBondContact NH1-O 3.22Å; R1299-E1387 IonicContact CZ-OE1 3.9Å; R1299-E1387 IonicContact NH1-OE1 2.67Å; R1299-E1387 PolarHBondContact NH1-OE1 2.95Å; R1299-E1387 IonicContact NH2-OE1 3.23Å
1300W91.7Very high88.8Confident24 Ų2452.3 Ų52.39%0.09127%0.265CS..Hα-helixtrans-64-37-176.9-74.7119.2000113.2L1228 S1296 A1297 S1303 G1304 G1305 A1307 Y1382 L1383L1228-W1300 VanDerWaalsContact O-CB 3.29Å; L1228-W1300 WeakPolarHBondContact O-CB 3.3Å; S1296-W1300 PolarHBondContact O-N 3.48Å; A1297-W1300 PolarHBondContact O-N 3.06Å; W1300-S1303 PolarHBondContact O-N 3.24Å; W1300-G1304 PolarHBondContact O-N 2.96Å; W1300-G1305 VanDerWaalsContact O-CA 3.3Å; W1300-G1305 WeakPolarHBondContact O-CA 3.36Å; W1300-G1305 PolarHBondContact O-N 3Å; W1300-A1307 HydrophobicContact CD2-CB 3.68Å; W1300-A1307 HydrophobicContact CE3-CB 3.66Å; W1300-A1307 HydrophobicContact CG-CB 4.41Å; W1300-A1307 HydrophobicContact CH2-CB 3.8Å; W1300-A1307 HydrophobicContact CZ2-CB 3.8Å; W1300-A1307 HydrophobicContact CZ3-CB 3.74Å; W1300-Y1382 AromaticContact CH2-CE1 3.98Å; W1300-Y1382 HydrophobicContact CH2-CE1 3.98Å; W1300-Y1382 HydrophobicContact CZ2-CD1 4.44Å; W1300-Y1382 AromaticContact CZ2-CE1 3.88Å; W1300-Y1382 HydrophobicContact CZ2-CE1 3.88Å; W1300-L1383 PolarHBondContact NE1-O 2.99Å
1301R92Very high89.2Confident49 Ų4951 Ų5119%0.18526%0.257CS..Hα-helixtrans-62.2-47.3172.1-177.2-176.266.381.40.3111.9G1231 W1233 E1256 A1297 R1298 R1299 S1303 G1304G1231-R1301 WeakPolarHBondContact O-CG 3.31Å; W1233-R1301 VanDerWaalsContact CE3-NE 3.32Å; W1233-R1301 VanDerWaalsContact CH2-NH1 3.31Å; W1233-R1301 VanDerWaalsContact CZ3-NE 3.34Å; E1256-R1301 VanDerWaalsContact CD-NH2 3.33Å; E1256-R1301 IonicContact OE1-CZ 2.7Å; E1256-R1301 IonicContact OE1-NE 2.63Å; E1256-R1301 PolarHBondContact OE1-NE 2.92Å; E1256-R1301 IonicContact OE1-NH2 2.7Å; E1256-R1301 PolarHBondContact OE1-NH2 2.85Å; E1256-R1301 IonicContact OE2-CZ 2.78Å; E1256-R1301 IonicContact OE2-NE 2.72Å; E1256-R1301 IonicContact OE2-NH2 3.45Å; E1256-R1301 PolarHBondContact OE2-NH2 3.37Å; A1297-R1301 PolarHBondContact O-N 2.7Å; A1297-R1301 VanDerWaalsContact O-N 3.09Å; R1298-R1301 PolarHBondContact O-N 2.71Å; R1299-R1301 PolarHBondContact O-N 3.16Å; R1301-S1303 VanDerWaalsContact C-N 3.27Å; R1301-S1303 PolarHBondContact O-N 3.41Å; R1301-G1304 PolarHBondContact O-N 3.4Å
1302L90Very high89.8Confident115 Ų11554 Ų5460%0.60227%0.271SS*.Hα-helixtrans-65.4-29.3179.7-69.2174.2000112.7R1298 R1299 G1304R1298-L1302 HydrophobicContact CG-CD1 3.79Å; R1298-L1302 HydrophobicContact CG-CG 4.25Å; R1298-L1302 WeakPolarHBondContact O-CB 3.48Å; R1298-L1302 VanDerWaalsContact O-CG 3.26Å; R1298-L1302 WeakPolarHBondContact O-CG 3.4Å; R1298-L1302 PolarHBondContact O-N 3Å; R1299-L1302 PolarHBondContact O-N 2.91Å; L1302-G1304 PolarHBondContact O-N 3.12Å
1303S87.3Confident90.2Very high91 Ų9151.4 Ų51.464%0.63626%0.257SS*.THydrogen-bonded Turntrans-74.61.2170.6-60.30000114.7R1299 W1300 R1301R1299-S1303 PolarHBondContact O-N 2.76Å; R1299-S1303 PolarHBondContact O-OG 3.48Å; W1300-S1303 PolarHBondContact O-N 3.24Å; R1301-S1303 VanDerWaalsContact C-N 3.27Å; R1301-S1303 PolarHBondContact O-N 3.41Å
1304G85.4Confident90.3Very high57 Ų5751.3 Ų51.359%0.58826%0.256SS*.THydrogen-bonded Turntrans81.718.5-178.300000114.6W1300 R1301 L1302W1300-G1304 PolarHBondContact O-N 2.96Å; R1301-G1304 PolarHBondContact O-N 3.4Å; L1302-G1304 PolarHBondContact O-N 3.12Å
1305G84.1Confident90.4Very high8 Ų851.3 Ų51.38%0.08226%0.257CS..SBendtrans70.1-148.5-178.200000113.3W1300 A1307W1300-G1305 VanDerWaalsContact O-CA 3.3Å; W1300-G1305 WeakPolarHBondContact O-CA 3.36Å; W1300-G1305 PolarHBondContact O-N 3Å; G1305-A1307 PolarHBondContact O-N 3.22Å
1306K90Very high90.2Very high132 Ų13247.3 Ų47.357%0.57424%0.242SC*.  trans55.748.9177.1-53.6173.9-173168.90113.5A1229 F1308 H1309 G1332A1229-K1306 PolarHBondContact O-N 3.12Å; K1306-F1308 PolarHBondContact O-N 2.94Å; K1306-H1309 HydrophobicContact CB-CB 4.23Å; K1306-H1309 VanDerWaalsContact O-CB 3.31Å; K1306-H1309 WeakPolarHBondContact O-CB 3.3Å; K1306-H1309 PolarHBondContact O-N 3.33Å; K1306-G1332 CarbonylContact C-O 3.42Å; K1306-G1332 WeakPolarHBondContact CA-O 3.41Å
1307A90.5Very high89.6Confident3 Ų350.8 Ų50.83%0.02527%0.265CS..THydrogen-bonded Turntrans-55-26.7-176.100000114.6A1229 W1300 G1305 G1332 Y1382 L1383A1229-A1307 HydrophobicContact CB-CB 4.4Å; A1229-A1307 PolarHBondContact O-N 3.48Å; W1300-A1307 HydrophobicContact CD2-CB 3.68Å; W1300-A1307 HydrophobicContact CE3-CB 3.66Å; W1300-A1307 HydrophobicContact CG-CB 4.41Å; W1300-A1307 HydrophobicContact CH2-CB 3.8Å; W1300-A1307 HydrophobicContact CZ2-CB 3.8Å; W1300-A1307 HydrophobicContact CZ3-CB 3.74Å; G1305-A1307 PolarHBondContact O-N 3.22Å; A1307-G1332 PolarHBondContact N-O 3.07Å; A1307-Y1382 WeakPolarHBondContact O-CE1 3.42Å; A1307-Y1382 PolarHBondContact O-OH 2.99Å; A1307-L1383 HydrophobicContact CB-CD2 3.67Å
1308F92.9Very high88.5Confident0 Ų053 Ų530%029%0.288CS..THydrogen-bonded Turntrans-105.426179.3-51.2-62.2000112.5A1229 K1306 N1310 W1311 I1328 G1332 G1334 L1379 Y1382 L1383A1229-F1308 HydrophobicContact CB-CD2 4.12Å; A1229-F1308 HydrophobicContact CB-CE2 3.62Å; K1306-F1308 PolarHBondContact O-N 2.94Å; F1308-N1310 PolarHBondContact O-N 2.86Å; F1308-W1311 HydrophobicContact CB-CB 4.07Å; F1308-W1311 HydrophobicContact CB-CD2 4.01Å; F1308-W1311 HydrophobicContact CB-CE3 4.3Å; F1308-W1311 HydrophobicContact CB-CG 3.91Å; F1308-W1311 AromaticContact CD1-CD2 3.7Å; F1308-W1311 HydrophobicContact CD1-CD2 3.7Å; F1308-W1311 AromaticContact CD1-CE2 3.81Å; F1308-W1311 AromaticContact CD1-CE3 3.53Å; F1308-W1311 HydrophobicContact CD1-CE3 3.53Å; F1308-W1311 HydrophobicContact CD1-CG 4.47Å; F1308-W1311 AromaticContact CD1-CH2 3.64Å; F1308-W1311 HydrophobicContact CD1-CH2 3.64Å; F1308-W1311 AromaticContact CD1-CZ2 3.81Å; F1308-W1311 HydrophobicContact CD1-CZ2 3.81Å; F1308-W1311 AromaticContact CD1-CZ3 3.5Å; F1308-W1311 HydrophobicContact CD1-CZ3 3.5Å; F1308-W1311 VanDerWaalsContact CD1-CZ3 3.5Å; F1308-W1311 HydrophobicContact CE1-CE3 4.22Å; F1308-W1311 AromaticContact CE1-CH2 3.73Å; F1308-W1311 HydrophobicContact CE1-CH2 3.73Å; F1308-W1311 HydrophobicContact CE1-CZ2 4.24Å; F1308-W1311 AromaticContact CE1-CZ3 3.72Å; F1308-W1311 HydrophobicContact CE1-CZ3 3.72Å; F1308-W1311 HydrophobicContact CG-CD2 4.29Å; F1308-W1311 HydrophobicContact CG-CE3 4.22Å; F1308-W1311 WeakPolarHBondContact O-CB 3.24Å; F1308-W1311 PolarHBondContact O-N 3.36Å; F1308-I1328 HydrophobicContact CE2-CG2 3.79Å; F1308-I1328 WeakPolarHBondContact CE2-O 3.46Å; F1308-I1328 HydrophobicContact CZ-CG2 4.23Å; F1308-G1332 CarbonylContact C-O 3.48Å; F1308-G1332 WeakPolarHBondContact CA-O 3.25Å; F1308-G1332 PolarHBondContact N-O 2.8Å; F1308-G1334 WeakPolarHBondContact O-CA 3.38Å; F1308-G1334 PolarHBondContact O-N 3.36Å; F1308-L1379 HydrophobicContact CE1-CD1 4.15Å; F1308-L1379 HydrophobicContact CE1-CG 3.96Å; F1308-L1379 HydrophobicContact CZ-CD1 3.94Å; F1308-L1379 HydrophobicContact CZ-CD2 4.08Å; F1308-L1379 HydrophobicContact CZ-CG 3.7Å; F1308-Y1382 HydrophobicContact CD1-CD1 4.25Å; F1308-Y1382 HydrophobicContact CD1-CE1 4.1Å; F1308-Y1382 AromaticContact CE1-CD1 3.79Å; F1308-Y1382 HydrophobicContact CE1-CD1 3.79Å; F1308-Y1382 HydrophobicContact CE1-CE1 4.08Å; F1308-L1383 HydrophobicContact CE1-CD2 4.37Å; F1308-L1383 HydrophobicContact CE1-CG 4.31Å; F1308-L1383 HydrophobicContact CE2-CD1 4.26Å; F1308-L1383 HydrophobicContact CE2-CD2 4.23Å; F1308-L1383 HydrophobicContact CE2-CG 4.42Å; F1308-L1383 HydrophobicContact CZ-CD1 3.75Å; F1308-L1383 HydrophobicContact CZ-CD2 3.77Å; F1308-L1383 HydrophobicContact CZ-CG 3.64Å
1309H90Very high87.5Confident115 Ų11551.3 Ų51.353%0.53228%0.284SS..THydrogen-bonded Turntrans-53.8135.7177.7-175.649.8000111.4K1306 W1311 G1332K1306-H1309 HydrophobicContact CB-CB 4.23Å; K1306-H1309 VanDerWaalsContact O-CB 3.31Å; K1306-H1309 WeakPolarHBondContact O-CB 3.3Å; K1306-H1309 PolarHBondContact O-N 3.33Å; H1309-W1311 PolarHBondContact O-N 2.96Å; H1309-W1311 VanDerWaalsContact O-N 3.12Å; H1309-G1332 PolarHBondContact N-O 3.01Å
1310N91.1Very high86.5Confident115 Ų11551.1 Ų51.162%0.61529%0.292SS*.THydrogen-bonded Turntrans62.8-0.3-172-57.2-46.1000116.4F1308 K1312F1308-N1310 PolarHBondContact O-N 2.86Å; N1310-K1312 PolarHBondContact O-N 3.06Å
1311W93.6Very high85.6Confident15 Ų1555.9 Ų55.96%0.05731%0.313CS..  trans-68.4118.1174.1-71.934000110.4F1308 H1309 V1313 G1334 K1335 T1350 H1351 F1353 Y1378 Y1382F1308-W1311 HydrophobicContact CB-CB 4.07Å; F1308-W1311 HydrophobicContact CB-CD2 4.01Å; F1308-W1311 HydrophobicContact CB-CE3 4.3Å; F1308-W1311 HydrophobicContact CB-CG 3.91Å; F1308-W1311 AromaticContact CD1-CD2 3.7Å; F1308-W1311 HydrophobicContact CD1-CD2 3.7Å; F1308-W1311 AromaticContact CD1-CE2 3.81Å; F1308-W1311 AromaticContact CD1-CE3 3.53Å; F1308-W1311 HydrophobicContact CD1-CE3 3.53Å; F1308-W1311 HydrophobicContact CD1-CG 4.47Å; F1308-W1311 AromaticContact CD1-CH2 3.64Å; F1308-W1311 HydrophobicContact CD1-CH2 3.64Å; F1308-W1311 AromaticContact CD1-CZ2 3.81Å; F1308-W1311 HydrophobicContact CD1-CZ2 3.81Å; F1308-W1311 AromaticContact CD1-CZ3 3.5Å; F1308-W1311 HydrophobicContact CD1-CZ3 3.5Å; F1308-W1311 VanDerWaalsContact CD1-CZ3 3.5Å; F1308-W1311 HydrophobicContact CE1-CE3 4.22Å; F1308-W1311 AromaticContact CE1-CH2 3.73Å; F1308-W1311 HydrophobicContact CE1-CH2 3.73Å; F1308-W1311 HydrophobicContact CE1-CZ2 4.24Å; F1308-W1311 AromaticContact CE1-CZ3 3.72Å; F1308-W1311 HydrophobicContact CE1-CZ3 3.72Å; F1308-W1311 HydrophobicContact CG-CD2 4.29Å; F1308-W1311 HydrophobicContact CG-CE3 4.22Å; F1308-W1311 WeakPolarHBondContact O-CB 3.24Å; F1308-W1311 PolarHBondContact O-N 3.36Å; H1309-W1311 PolarHBondContact O-N 2.96Å; H1309-W1311 VanDerWaalsContact O-N 3.12Å; W1311-V1313 HydrophobicContact CB-CG2 3.99Å; W1311-V1313 HydrophobicContact CE3-CG2 4.12Å; W1311-G1334 CarbonylContact O-C 3.58Å; W1311-G1334 WeakPolarHBondContact O-CA 3.12Å; W1311-K1335 PolarHBondContact O-N 3.2Å; W1311-T1350 WeakPolarHBondContact CA-OG1 3.47Å; W1311-H1351 AromaticContact CD2-CE1 3.56Å; W1311-H1351 AromaticContact CD2-ND1 3.46Å; W1311-H1351 AromaticContact CE2-CE1 3.45Å; W1311-H1351 VanDerWaalsContact CE2-CE1 3.45Å; W1311-H1351 AromaticContact CE2-ND1 3.87Å; W1311-H1351 AromaticContact CE3-ND1 3.65Å; W1311-H1351 AromaticContact CG-CE1 3.98Å; W1311-H1351 AromaticContact CG-ND1 3.8Å; W1311-H1351 AromaticContact CZ2-CE1 3.83Å; W1311-H1351 AromaticContact NE1-CE1 3.77Å; W1311-F1353 HydrophobicContact CZ3-CE2 4.15Å; W1311-F1353 AromaticContact CZ3-CZ 3.89Å; W1311-F1353 HydrophobicContact CZ3-CZ 3.89Å; W1311-Y1378 HydrophobicContact CH2-CD1 4.29Å; W1311-Y1378 AromaticContact CH2-CE1 3.66Å; W1311-Y1378 HydrophobicContact CH2-CE1 3.66Å; W1311-Y1378 HydrophobicContact CZ2-CE1 4.28Å; W1311-Y1378 HydrophobicContact CZ3-CE1 4.43Å; W1311-Y1382 AromaticContact CH2-CD1 3.86Å; W1311-Y1382 HydrophobicContact CH2-CD1 3.86Å; W1311-Y1382 HydrophobicContact CH2-CE1 4.15Å; W1311-Y1382 HydrophobicContact CH2-CG 4.1Å; W1311-Y1382 AromaticContact CZ2-CD1 3.72Å; W1311-Y1382 HydrophobicContact CZ2-CD1 3.72Å; W1311-Y1382 HydrophobicContact CZ2-CD2 4.2Å; W1311-Y1382 AromaticContact CZ2-CE1 3.56Å; W1311-Y1382 HydrophobicContact CZ2-CE1 3.56Å; W1311-Y1382 HydrophobicContact CZ2-CE2 4.06Å; W1311-Y1382 HydrophobicContact CZ2-CG 4.03Å; W1311-Y1382 AromaticContact CZ2-CZ 3.74Å
1312K94.5Very high85.1Confident95 Ų9555.5 Ų55.541%0.41331%0.314SS..EExtended strand (participates in β ladder)trans-102.5115.8164.3-63.5174.2-176.1176.90108N1310 K1335 L1337 E1348 T1350 H1351N1310-K1312 PolarHBondContact O-N 3.06Å; K1312-K1335 WeakPolarHBondContact CA-O 3.2Å; K1312-L1337 HydrophobicContact CB-CD1 3.92Å; K1312-L1337 HydrophobicContact CB-CG 4.17Å; K1312-L1337 HydrophobicContact CD-CD1 4.46Å; K1312-L1337 HydrophobicContact CG-CD1 4.49Å; K1312-E1348 VanDerWaalsContact CB-O 3.22Å; K1312-E1348 WeakPolarHBondContact CB-O 3.21Å; K1312-E1348 WeakPolarHBondContact CD-O 3.48Å; K1312-T1350 HydrophobicContact CB-CG2 4.22Å; K1312-T1350 PolarHBondContact N-OG1 2.86Å; K1312-T1350 PolarHBondContact O-N 2.64Å; K1312-T1350 PolarHBondContact O-OG1 3.18Å; K1312-H1351 PolarHBondContact O-N 2.95Å
1313V93.7Very high84.9Confident0 Ų053.5 Ų53.50%031%0.309CS..EExtended strand (participates in β ladder)trans-117.7143.2-166.7-173.50000111.6W1311 I1329 K1335 V1336 L1337 H1351 F1353W1311-V1313 HydrophobicContact CB-CG2 3.99Å; W1311-V1313 HydrophobicContact CE3-CG2 4.12Å; V1313-I1329 HydrophobicContact CB-CD1 4.31Å; V1313-I1329 HydrophobicContact CG1-CD1 3.96Å; V1313-I1329 HydrophobicContact CG2-CD1 4.24Å; V1313-I1329 HydrophobicContact CG2-CG2 4Å; V1313-K1335 PolarHBondContact N-O 2.92Å; V1313-V1336 HydrophobicContact CB-CG2 4.4Å; V1313-V1336 CarbonylContact O-C 3.23Å; V1313-V1336 WeakPolarHBondContact O-CA 3.15Å; V1313-L1337 PolarHBondContact O-N 2.91Å; V1313-H1351 WeakPolarHBondContact CA-O 3.43Å; V1313-F1353 HydrophobicContact CG1-CD2 3.52Å; V1313-F1353 HydrophobicContact CG1-CE2 3.74Å
1314I92.2Very high84.9Confident0 Ų050.4 Ų50.40%029%0.288CS..EExtended strand (participates in β ladder)trans-121.5152.2164.965.8176.7000111.7L1337 S1338 Y1343 P1344 V1349 H1351 A1352 F1353 Y1371 W1373I1314-L1337 HydrophobicContact CG2-CB 4.33Å; I1314-S1338 CarbonylContact C-O 3.58Å; I1314-S1338 WeakPolarHBondContact CA-O 3.16Å; I1314-S1338 WeakPolarHBondContact CB-O 3.27Å; I1314-Y1343 HydrophobicContact CB-CD1 3.99Å; I1314-Y1343 HydrophobicContact CB-CE1 4.23Å; I1314-Y1343 HydrophobicContact CD1-CD1 3.81Å; I1314-Y1343 HydrophobicContact CD1-CE1 4.34Å; I1314-Y1343 HydrophobicContact CD1-CG 4.04Å; I1314-Y1343 HydrophobicContact CG1-CD1 4.4Å; I1314-Y1343 HydrophobicContact CG2-CD1 4.19Å; I1314-P1344 HydrophobicContact CG2-CG 4.16Å; I1314-V1349 HydrophobicContact CD1-CG1 4.11Å; I1314-V1349 HydrophobicContact CD1-CG2 4.42Å; I1314-V1349 HydrophobicContact CG1-CG1 3.92Å; I1314-V1349 HydrophobicContact CG2-CG1 4.26Å; I1314-V1349 HydrophobicContact CG2-CG2 3.9Å; I1314-H1351 PolarHBondContact N-O 3.32Å; I1314-A1352 HydrophobicContact CD1-CB 3.81Å; I1314-A1352 HydrophobicContact CG1-CB 3.48Å; I1314-A1352 VanDerWaalsContact CG1-CB 3.48Å; I1314-A1352 WeakPolarHBondContact O-CA 2.96Å; I1314-F1353 PolarHBondContact O-N 3.02Å; I1314-Y1371 HydrophobicContact CD1-CD1 3.83Å; I1314-Y1371 HydrophobicContact CD1-CD2 4.17Å; I1314-Y1371 HydrophobicContact CD1-CE1 3.99Å; I1314-Y1371 HydrophobicContact CD1-CE2 4.32Å; I1314-Y1371 HydrophobicContact CD1-CG 3.95Å; I1314-W1373 HydrophobicContact CD1-CH2 3.76Å; I1314-W1373 HydrophobicContact CD1-CZ2 4.19Å; I1314-W1373 HydrophobicContact CD1-CZ3 4.42Å; I1314-W1373 HydrophobicContact CG1-CH2 4.18Å; I1314-W1373 HydrophobicContact CG1-CZ3 4.39Å
1315F90.1Very high85.1Confident1 Ų149.3 Ų49.30%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-110.6138.1171.9-68.1-74000112.1E1322 F1325 I1329 V1336 S1338 S1339 Y1343 F1353 I1376F1315-E1322 HydrophobicContact CB-CG 4.28Å; F1315-E1322 HydrophobicContact CD2-CG 3.47Å; F1315-E1322 VanDerWaalsContact CD2-CG 3.47Å; F1315-E1322 HydrophobicContact CE2-CG 3.86Å; F1315-E1322 HydrophobicContact CG-CG 3.9Å; F1315-F1325 HydrophobicContact CE1-CB 4.02Å; F1315-F1325 HydrophobicContact CZ-CB 3.66Å; F1315-I1329 HydrophobicContact CE2-CD1 4.18Å; F1315-I1329 HydrophobicContact CZ-CD1 3.61Å; F1315-V1336 HydrophobicContact CD2-CG1 3.71Å; F1315-V1336 HydrophobicContact CE2-CG1 3.73Å; F1315-V1336 HydrophobicContact CE2-CG2 3.91Å; F1315-S1338 PolarHBondContact N-O 2.78Å; F1315-S1339 CarbonylContact O-C 3.36Å; F1315-Y1343 WeakPolarHBondContact O-CE1 3.26Å; F1315-Y1343 PolarHBondContact O-OH 3.19Å; F1315-F1353 CarbonylContact C-O 3.59Å; F1315-F1353 WeakPolarHBondContact CA-O 3.22Å; F1315-F1353 HydrophobicContact CD1-CB 3.88Å; F1315-F1353 HydrophobicContact CE1-CB 4.01Å; F1315-F1353 HydrophobicContact CE1-CD2 4.19Å; F1315-I1376 HydrophobicContact CE1-CD1 3.87Å
1316G84.2Confident85.5Confident3 Ų351.8 Ų51.83%0.03127%0.274CS..  trans-86.6169.2172.200000112.7F1353G1316-F1353 PolarHBondContact N-O 3.48Å
1317P76Confident85.6Confident74 Ų7449.7 Ų49.748%0.48126%0.262SS..THydrogen-bonded Turntrans-57.1150.7175.725.2-35.1000112.4V1354 L1367P1317-V1354 WeakPolarHBondContact O-CG2 3.44Å; P1317-L1367 HydrophobicContact CG-CD2 4.35Å
1318G68.2Low85.7Confident49 Ų4949.7 Ų49.751%0.50526%0.262SS..THydrogen-bonded Turntrans90.5-2.8176.600000116D1320G1318-D1320 VanDerWaalsContact C-N 3.3Å; G1318-D1320 PolarHBondContact O-N 3.38Å
1319C70.1Confident85.7Confident19 Ų1949.7 Ų49.713%0.12826%0.262CS..  trans-75.874.9178.3-166.70000112.9K1321 E1322C1319-K1321 PolarHBondContact O-N 3.15Å; C1319-E1322 HydrophobicContact CB-CB 4.43Å; C1319-E1322 WeakPolarHBondContact O-CB 3.22Å; C1319-E1322 PolarHBondContact O-N 2.85Å
1320D68.7Low85.8Confident108 Ų10848.2 Ų48.258%0.57826%0.255SS*.THydrogen-bonded Turntrans-52.7-19.6178.166.1-24.2000115.9G1318 K1355G1318-D1320 VanDerWaalsContact C-N 3.3Å; G1318-D1320 PolarHBondContact O-N 3.38Å; D1320-K1355 WeakPolarHBondContact OD1-CD 3.39Å; D1320-K1355 IonicContact OD1-NZ 2.82Å; D1320-K1355 PolarHBondContact OD1-NZ 3.15Å; D1320-K1355 IonicContact OD2-NZ 3.48Å; D1320-K1355 PolarHBondContact OD2-NZ 2.57Å
1321K72.9Confident85.8Confident125 Ų12544.7 Ų44.754%0.54324%0.242SC..THydrogen-bonded Turntrans-115.325.2176.6-62.7-175.6-179.4-1770113.9C1319 S1323 S1324 F1325C1319-K1321 PolarHBondContact O-N 3.15Å; K1321-S1323 PolarHBondContact O-N 2.74Å; K1321-S1324 PolarHBondContact O-N 2.75Å; K1321-F1325 HydrophobicContact CB-CD2 4.09Å; K1321-F1325 HydrophobicContact CB-CE2 3.78Å; K1321-F1325 VanDerWaalsContact O-CD2 3.27Å; K1321-F1325 WeakPolarHBondContact O-CD2 3.43Å; K1321-F1325 PolarHBondContact O-N 3.42Å
1322E81.5Confident85.7Confident41 Ų4144 Ų4419%0.19224%0.239CC..Hα-helixtrans-45.6-49.1179-168.5-132.4130.500112F1315 C1319 S1324 F1325 R1326 S1339F1315-E1322 HydrophobicContact CB-CG 4.28Å; F1315-E1322 HydrophobicContact CD2-CG 3.47Å; F1315-E1322 VanDerWaalsContact CD2-CG 3.47Å; F1315-E1322 HydrophobicContact CE2-CG 3.86Å; F1315-E1322 HydrophobicContact CG-CG 3.9Å; C1319-E1322 HydrophobicContact CB-CB 4.43Å; C1319-E1322 WeakPolarHBondContact O-CB 3.22Å; C1319-E1322 PolarHBondContact O-N 2.85Å; E1322-S1324 PolarHBondContact O-N 3.22Å; E1322-S1324 VanDerWaalsContact O-N 3.17Å; E1322-F1325 PolarHBondContact O-N 3.08Å; E1322-F1325 VanDerWaalsContact O-N 3.16Å; E1322-R1326 VanDerWaalsContact O-CB 3.23Å; E1322-R1326 WeakPolarHBondContact O-CB 3.5Å; E1322-R1326 PolarHBondContact O-N 3.4Å; E1322-R1326 IonicContact OE1-CZ 3.93Å; E1322-R1326 VanDerWaalsContact OE1-CZ 3.24Å; E1322-R1326 IonicContact OE1-NE 2.79Å; E1322-R1326 PolarHBondContact OE1-NE 2.76Å; E1322-R1326 IonicContact OE1-NH2 2.99Å; E1322-R1326 PolarHBondContact OE1-NH2 2.79Å; E1322-S1339 PolarHBondContact OE1-OG 2.89Å; E1322-S1339 WeakPolarHBondContact OE2-CB 3.45Å; E1322-S1339 PolarHBondContact OE2-OG 2.73Å
1323S86.6Confident85.6Confident72 Ų7241.2 Ų41.250%0.50324%0.237SC..Hα-helixtrans-56-34.7-178.7-43.70000113.9K1321 R1327K1321-S1323 PolarHBondContact O-N 2.74Å; S1323-R1327 WeakPolarHBondContact O-CG 3.5Å; S1323-R1327 PolarHBondContact O-N 2.66Å; S1323-R1327 PolarHBondContact O-NE 3.27Å; S1323-R1327 PolarHBondContact O-NH1 2.64Å
1324S87Confident85.6Confident27 Ų2741.7 Ų41.719%0.18924%0.242CC..Hα-helixtrans-77.3-46.2177.3-67.70000111.6E1222 K1321 E1322 R1326 R1327 I1328E1222-S1324 WeakPolarHBondContact OE2-CB 3.24Å; E1222-S1324 PolarHBondContact OE2-OG 3.46Å; K1321-S1324 PolarHBondContact O-N 2.75Å; E1322-S1324 PolarHBondContact O-N 3.22Å; E1322-S1324 VanDerWaalsContact O-N 3.17Å; S1324-R1326 VanDerWaalsContact C-N 3.33Å; S1324-R1326 PolarHBondContact O-N 2.88Å; S1324-R1327 PolarHBondContact O-N 2.96Å; S1324-R1327 PolarHBondContact OG-NH2 3.35Å; S1324-I1328 WeakPolarHBondContact O-CG1 3.32Å; S1324-I1328 PolarHBondContact O-N 3.47Å; S1324-I1328 VanDerWaalsContact O-N 3.09Å
1325F89.7Confident85.6Confident33 Ų3348.1 Ų48.115%0.14527%0.27CS..Hα-helixtrans-65.6-37.3178-65.7-61.6000112F1315 K1321 E1322 I1328 I1329 I1376 L1379F1315-F1325 HydrophobicContact CE1-CB 4.02Å; F1315-F1325 HydrophobicContact CZ-CB 3.66Å; K1321-F1325 HydrophobicContact CB-CD2 4.09Å; K1321-F1325 HydrophobicContact CB-CE2 3.78Å; K1321-F1325 VanDerWaalsContact O-CD2 3.27Å; K1321-F1325 WeakPolarHBondContact O-CD2 3.43Å; K1321-F1325 PolarHBondContact O-N 3.42Å; E1322-F1325 PolarHBondContact O-N 3.08Å; E1322-F1325 VanDerWaalsContact O-N 3.16Å; F1325-I1328 HydrophobicContact CD1-CD1 4.39Å; F1325-I1328 PolarHBondContact O-N 3.08Å; F1325-I1329 WeakPolarHBondContact O-CD1 3.33Å; F1325-I1329 VanDerWaalsContact O-CG1 3.26Å; F1325-I1329 WeakPolarHBondContact O-CG1 3.43Å; F1325-I1329 PolarHBondContact O-N 3.27Å; F1325-I1376 HydrophobicContact CB-CD1 4.44Å; F1325-I1376 HydrophobicContact CD1-CD1 4.13Å; F1325-I1376 HydrophobicContact CD1-CG1 4.19Å; F1325-I1376 HydrophobicContact CD2-CD1 3.9Å; F1325-I1376 HydrophobicContact CD2-CG1 3.85Å; F1325-I1376 HydrophobicContact CE1-CD1 4.34Å; F1325-I1376 HydrophobicContact CE1-CG1 3.9Å; F1325-I1376 HydrophobicContact CE2-CD1 4.12Å; F1325-I1376 HydrophobicContact CE2-CG1 3.53Å; F1325-I1376 HydrophobicContact CG-CD1 3.9Å; F1325-I1376 HydrophobicContact CG-CG1 4.17Å; F1325-I1376 HydrophobicContact CZ-CD1 4.34Å; F1325-I1376 HydrophobicContact CZ-CG1 3.56Å; F1325-L1379 HydrophobicContact CD1-CD2 4.39Å
1326R92.1Very high85.7Confident61 Ų6148.6 Ų48.623%0.2327%0.273CS..Hα-helixtrans-53.8-53171175.5179.7-69.7-88.95.1111.6E1322 S1324 I1328 I1329 E1330 V1336E1322-R1326 VanDerWaalsContact O-CB 3.23Å; E1322-R1326 WeakPolarHBondContact O-CB 3.5Å; E1322-R1326 PolarHBondContact O-N 3.4Å; E1322-R1326 IonicContact OE1-CZ 3.93Å; E1322-R1326 VanDerWaalsContact OE1-CZ 3.24Å; E1322-R1326 IonicContact OE1-NE 2.79Å; E1322-R1326 PolarHBondContact OE1-NE 2.76Å; E1322-R1326 IonicContact OE1-NH2 2.99Å; E1322-R1326 PolarHBondContact OE1-NH2 2.79Å; S1324-R1326 VanDerWaalsContact C-N 3.33Å; S1324-R1326 PolarHBondContact O-N 2.88Å; R1326-I1328 VanDerWaalsContact C-N 3.32Å; R1326-I1328 PolarHBondContact O-N 3.38Å; R1326-I1329 PolarHBondContact O-N 3.42Å; R1326-E1330 HydrophobicContact CG-CG 4.29Å; R1326-E1330 WeakPolarHBondContact CG-OE1 3.43Å; R1326-E1330 VanDerWaalsContact CG-OE2 3.3Å; R1326-E1330 WeakPolarHBondContact CG-OE2 3.18Å; R1326-E1330 IonicContact CZ-OE1 2.63Å; R1326-E1330 IonicContact NH1-OE1 3.39Å; R1326-E1330 PolarHBondContact NH1-OE1 2.84Å; R1326-E1330 WeakPolarHBondContact O-CB 3.49Å; R1326-E1330 WeakPolarHBondContact O-CG 3.39Å; R1326-E1330 PolarHBondContact O-N 2.97Å; R1326-V1336 HydrophobicContact CB-CG2 4.38Å; R1326-V1336 HydrophobicContact CG-CG2 4.19Å
1327R91.2Very high86Confident88 Ų8851.1 Ų51.133%0.33229%0.286SS..Hα-helixtrans-61.6-37.8178.6-72-176.9-58.7-102.14.8112.6E1222 I1226 S1323 S1324 A1331E1222-R1327 VanDerWaalsContact CD-NH2 3.26Å; E1222-R1327 IonicContact OE1-CZ 3.24Å; E1222-R1327 IonicContact OE1-NE 2.84Å; E1222-R1327 PolarHBondContact OE1-NE 2.85Å; E1222-R1327 IonicContact OE1-NH2 3.59Å; E1222-R1327 PolarHBondContact OE1-NH2 3.1Å; E1222-R1327 IonicContact OE2-NH2 2.81Å; E1222-R1327 PolarHBondContact OE2-NH2 3.12Å; I1226-R1327 HydrophobicContact CD1-CB 4.21Å; S1323-R1327 WeakPolarHBondContact O-CG 3.5Å; S1323-R1327 PolarHBondContact O-N 2.66Å; S1323-R1327 PolarHBondContact O-NE 3.27Å; S1323-R1327 PolarHBondContact O-NH1 2.64Å; S1324-R1327 PolarHBondContact O-N 2.96Å; S1324-R1327 PolarHBondContact OG-NH2 3.35Å; R1327-A1331 WeakPolarHBondContact O-CB 3.34Å; R1327-A1331 PolarHBondContact O-N 2.87Å
1328I92.8Very high86.5Confident3 Ų348.8 Ų48.82%0.01527%0.271CS..Hα-helixtrans-63.9-44.5174.5-66160.1000111.2E1222 L1225 I1226 A1229 F1308 S1324 F1325 R1326 G1332 L1379 L1383E1222-I1328 HydrophobicContact CG-CD1 4.19Å; E1222-I1328 HydrophobicContact CG-CG1 4.24Å; L1225-I1328 HydrophobicContact CB-CD1 3.83Å; L1225-I1328 HydrophobicContact CB-CG1 4.03Å; L1225-I1328 HydrophobicContact CB-CG2 4.22Å; L1225-I1328 HydrophobicContact CD1-CD1 3.92Å; I1226-I1328 HydrophobicContact CG1-CB 4.47Å; I1226-I1328 HydrophobicContact CG1-CG1 3.75Å; A1229-I1328 HydrophobicContact CB-CG2 4.39Å; F1308-I1328 HydrophobicContact CE2-CG2 3.79Å; F1308-I1328 WeakPolarHBondContact CE2-O 3.46Å; F1308-I1328 HydrophobicContact CZ-CG2 4.23Å; S1324-I1328 WeakPolarHBondContact O-CG1 3.32Å; S1324-I1328 PolarHBondContact O-N 3.47Å; S1324-I1328 VanDerWaalsContact O-N 3.09Å; F1325-I1328 HydrophobicContact CD1-CD1 4.39Å; F1325-I1328 PolarHBondContact O-N 3.08Å; R1326-I1328 VanDerWaalsContact C-N 3.32Å; R1326-I1328 PolarHBondContact O-N 3.38Å; I1328-G1332 PolarHBondContact O-N 3.37Å; I1328-G1332 VanDerWaalsContact O-N 3.15Å; I1328-L1379 HydrophobicContact CG2-CD2 3.92Å; I1328-L1383 HydrophobicContact CG2-CD1 4.05Å
1329I92.9Very high87.1Confident0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-65.1-50.3178.5-67.3160.7000111.3V1313 F1315 F1325 R1326 G1332 G1333 G1334 V1336 L1379V1313-I1329 HydrophobicContact CB-CD1 4.31Å; V1313-I1329 HydrophobicContact CG1-CD1 3.96Å; V1313-I1329 HydrophobicContact CG2-CD1 4.24Å; V1313-I1329 HydrophobicContact CG2-CG2 4Å; F1315-I1329 HydrophobicContact CE2-CD1 4.18Å; F1315-I1329 HydrophobicContact CZ-CD1 3.61Å; F1325-I1329 WeakPolarHBondContact O-CD1 3.33Å; F1325-I1329 VanDerWaalsContact O-CG1 3.26Å; F1325-I1329 WeakPolarHBondContact O-CG1 3.43Å; F1325-I1329 PolarHBondContact O-N 3.27Å; R1326-I1329 PolarHBondContact O-N 3.42Å; I1329-G1332 CarbonylContact O-C 3.6Å; I1329-G1332 WeakPolarHBondContact O-CA 3.37Å; I1329-G1332 PolarHBondContact O-N 3.5Å; I1329-G1332 VanDerWaalsContact O-N 3.15Å; I1329-G1333 PolarHBondContact O-N 2.78Å; I1329-G1334 PolarHBondContact O-N 3.14Å; I1329-V1336 HydrophobicContact CB-CG2 4.15Å; I1329-V1336 HydrophobicContact CD1-CG2 3.9Å; I1329-V1336 HydrophobicContact CG2-CG2 3.96Å; I1329-L1379 HydrophobicContact CD1-CD1 3.87Å; I1329-L1379 HydrophobicContact CG1-CD1 3.49Å; I1329-L1379 VanDerWaalsContact CG1-CD1 3.49Å
1330E93.2Very high87.5Confident83 Ų8350.3 Ų50.339%0.38827%0.274SS..Hα-helixtrans-68.1-39.9-174.9-69.9169.1177.800111.1R1326 G1332 G1333R1326-E1330 HydrophobicContact CG-CG 4.29Å; R1326-E1330 WeakPolarHBondContact CG-OE1 3.43Å; R1326-E1330 VanDerWaalsContact CG-OE2 3.3Å; R1326-E1330 WeakPolarHBondContact CG-OE2 3.18Å; R1326-E1330 IonicContact CZ-OE1 2.63Å; R1326-E1330 IonicContact NH1-OE1 3.39Å; R1326-E1330 PolarHBondContact NH1-OE1 2.84Å; R1326-E1330 WeakPolarHBondContact O-CB 3.49Å; R1326-E1330 WeakPolarHBondContact O-CG 3.39Å; R1326-E1330 PolarHBondContact O-N 2.97Å; E1330-G1332 VanDerWaalsContact C-N 3.27Å; E1330-G1332 PolarHBondContact O-N 3.02Å; E1330-G1333 PolarHBondContact O-N 3.18Å
1331A91.5Very high88Confident42 Ų4249.7 Ų49.735%0.34728%0.276SS..Hα-helixtrans-67-26.4172.200000113.4I1226 S1230 R1327 G1333I1226-A1331 HydrophobicContact CG2-CB 3.74Å; S1230-A1331 WeakPolarHBondContact CA-O 3.35Å; S1230-A1331 VanDerWaalsContact CB-O 3.31Å; S1230-A1331 WeakPolarHBondContact CB-O 3.28Å; R1327-A1331 WeakPolarHBondContact O-CB 3.34Å; R1327-A1331 PolarHBondContact O-N 2.87Å; A1331-G1333 VanDerWaalsContact C-N 3.26Å; A1331-G1333 PolarHBondContact O-N 3.19Å
1332G91.6Very high88.3Confident0 Ų049.5 Ų49.50%029%0.287CS..THydrogen-bonded Turntrans-84.515.2169.100000114.6A1229 K1306 A1307 F1308 H1309 I1328 I1329 E1330 G1334A1229-G1332 WeakPolarHBondContact O-CA 3.45Å; K1306-G1332 CarbonylContact C-O 3.42Å; K1306-G1332 WeakPolarHBondContact CA-O 3.41Å; A1307-G1332 PolarHBondContact N-O 3.07Å; F1308-G1332 CarbonylContact C-O 3.48Å; F1308-G1332 WeakPolarHBondContact CA-O 3.25Å; F1308-G1332 PolarHBondContact N-O 2.8Å; H1309-G1332 PolarHBondContact N-O 3.01Å; I1328-G1332 PolarHBondContact O-N 3.37Å; I1328-G1332 VanDerWaalsContact O-N 3.15Å; I1329-G1332 CarbonylContact O-C 3.6Å; I1329-G1332 WeakPolarHBondContact O-CA 3.37Å; I1329-G1332 PolarHBondContact O-N 3.5Å; I1329-G1332 VanDerWaalsContact O-N 3.15Å; E1330-G1332 VanDerWaalsContact C-N 3.27Å; E1330-G1332 PolarHBondContact O-N 3.02Å; G1332-G1334 VanDerWaalsContact C-N 3.27Å; G1332-G1334 PolarHBondContact O-N 3.05Å
1333G91.5Very high88.6Confident36 Ų3649 Ų4937%0.37128%0.284SS..THydrogen-bonded Turntrans74.212.5174.800000115.3I1329 E1330 A1331I1329-G1333 PolarHBondContact O-N 2.78Å; E1330-G1333 PolarHBondContact O-N 3.18Å; A1331-G1333 VanDerWaalsContact C-N 3.26Å; A1331-G1333 PolarHBondContact O-N 3.19Å
1334G93.2Very high88.6Confident10 Ų1046.9 Ų46.910%0.10327%0.268CS..  trans-85.7172.716700000111.9F1308 W1311 I1329 G1332F1308-G1334 WeakPolarHBondContact O-CA 3.38Å; F1308-G1334 PolarHBondContact O-N 3.36Å; W1311-G1334 CarbonylContact O-C 3.58Å; W1311-G1334 WeakPolarHBondContact O-CA 3.12Å; I1329-G1334 PolarHBondContact O-N 3.14Å; G1332-G1334 VanDerWaalsContact C-N 3.27Å; G1332-G1334 PolarHBondContact O-N 3.05Å
1335K93.5Very high88.5Confident136 Ų13648.6 Ų48.659%0.59128%0.279SS*.EExtended strand (participates in β ladder)trans-134.1120.3179.3-171178.7-177.6179.10111.1W1311 K1312 V1313 L1337W1311-K1335 PolarHBondContact O-N 3.2Å; K1312-K1335 WeakPolarHBondContact CA-O 3.2Å; V1313-K1335 PolarHBondContact N-O 2.92Å; K1335-L1337 HydrophobicContact CD-CD2 4Å; K1335-L1337 HydrophobicContact CG-CD2 4.13Å; K1335-L1337 PolarHBondContact O-N 2.95Å
1336V91.7Very high88.2Confident10 Ų1048.9 Ų48.96%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-84.1112.3173.1-178.10000109V1313 F1315 R1326 I1329V1313-V1336 HydrophobicContact CB-CG2 4.4Å; V1313-V1336 CarbonylContact O-C 3.23Å; V1313-V1336 WeakPolarHBondContact O-CA 3.15Å; F1315-V1336 HydrophobicContact CD2-CG1 3.71Å; F1315-V1336 HydrophobicContact CE2-CG1 3.73Å; F1315-V1336 HydrophobicContact CE2-CG2 3.91Å; R1326-V1336 HydrophobicContact CB-CG2 4.38Å; R1326-V1336 HydrophobicContact CG-CG2 4.19Å; I1329-V1336 HydrophobicContact CB-CG2 4.15Å; I1329-V1336 HydrophobicContact CD1-CG2 3.9Å; I1329-V1336 HydrophobicContact CG2-CG2 3.96Å
1337L90.7Very high87.9Confident57 Ų5753.9 Ų53.930%0.29831%0.313SS..EExtended strand (participates in β ladder)trans-80.1-42.6-174.7-60.3-174.5000113.1K1312 V1313 I1314 K1335 P1344K1312-L1337 HydrophobicContact CB-CD1 3.92Å; K1312-L1337 HydrophobicContact CB-CG 4.17Å; K1312-L1337 HydrophobicContact CD-CD1 4.46Å; K1312-L1337 HydrophobicContact CG-CD1 4.49Å; V1313-L1337 PolarHBondContact O-N 2.91Å; I1314-L1337 HydrophobicContact CG2-CB 4.33Å; K1335-L1337 HydrophobicContact CD-CD2 4Å; K1335-L1337 HydrophobicContact CG-CD2 4.13Å; K1335-L1337 PolarHBondContact O-N 2.95Å; L1337-P1344 HydrophobicContact CB-CG 3.9Å; L1337-P1344 HydrophobicContact CD1-CB 4.38Å; L1337-P1344 HydrophobicContact CD1-CG 3.72Å; L1337-P1344 HydrophobicContact CG-CG 4.5Å
1338S85.1Confident87.8Confident24 Ų2453.7 Ų53.717%0.16832%0.316CS..EExtended strand (participates in β ladder)trans-158150.7174.5-1700000111.6I1314 F1315 S1340I1314-S1338 CarbonylContact C-O 3.58Å; I1314-S1338 WeakPolarHBondContact CA-O 3.16Å; I1314-S1338 WeakPolarHBondContact CB-O 3.27Å; F1315-S1338 PolarHBondContact N-O 2.78Å; S1338-S1340 PolarHBondContact OG-N 3.46Å; S1338-S1340 PolarHBondContact OG-O 2.93Å
1339S81.9Confident87.6Confident33 Ų3354.6 Ų54.623%0.23132%0.322CS..SBendtrans-115.65.6173.250.70000114.3F1315 E1322F1315-S1339 CarbonylContact O-C 3.36Å; E1322-S1339 PolarHBondContact OE1-OG 2.89Å; E1322-S1339 WeakPolarHBondContact OE2-CB 3.45Å; E1322-S1339 PolarHBondContact OE2-OG 2.73Å
1340S78.7Confident87.6Confident67 Ų6757.8 Ų57.847%0.46934%0.341SS..SBendtrans-150.9162.9173.858.70000111.3S1338S1338-S1340 PolarHBondContact OG-N 3.46Å; S1338-S1340 PolarHBondContact OG-O 2.93Å
1341P78.3Confident87.5Confident96 Ų9654.3 Ų54.362%0.62333%0.325SS*.SBendtrans-60.7143.8171.6-22.233.2000111.9Y1343P1341-Y1343 HydrophobicContact CB-CE2 4.41Å; P1341-Y1343 HydrophobicContact CG-CD2 4.37Å; P1341-Y1343 HydrophobicContact CG-CE2 3.77Å
1342P80.3Confident87.5Confident120 Ų12052.4 Ų52.478%0.77931%0.309SS*.SBendcis-76.8142.31.631.6-35.1000113.1
1343Y86.4Confident87.4Confident31 Ų3152.4 Ų52.412%0.12231%0.309CS..PPolyproline II helixtrans-93142.5174.6-64.6-65.5000111.1I1314 F1315 P1341 P1368 Y1371 W1373I1314-Y1343 HydrophobicContact CB-CD1 3.99Å; I1314-Y1343 HydrophobicContact CB-CE1 4.23Å; I1314-Y1343 HydrophobicContact CD1-CD1 3.81Å; I1314-Y1343 HydrophobicContact CD1-CE1 4.34Å; I1314-Y1343 HydrophobicContact CD1-CG 4.04Å; I1314-Y1343 HydrophobicContact CG1-CD1 4.4Å; I1314-Y1343 HydrophobicContact CG2-CD1 4.19Å; F1315-Y1343 WeakPolarHBondContact O-CE1 3.26Å; F1315-Y1343 PolarHBondContact O-OH 3.19Å; P1341-Y1343 HydrophobicContact CB-CE2 4.41Å; P1341-Y1343 HydrophobicContact CG-CD2 4.37Å; P1341-Y1343 HydrophobicContact CG-CE2 3.77Å; Y1343-P1368 HydrophobicContact CD2-CG 4.2Å; Y1343-Y1371 WeakPolarHBondContact CB-OH 3.3Å; Y1343-W1373 HydrophobicContact CE2-CH2 4.22Å
1344P86.8Confident87.2Confident27 Ų2751 Ų5118%0.17529%0.294CS..PPolyproline II helixtrans-67.6156.8175.830.4-36.5000111.6I1314 L1337 V1349 Y1371I1314-P1344 HydrophobicContact CG2-CG 4.16Å; L1337-P1344 HydrophobicContact CB-CG 3.9Å; L1337-P1344 HydrophobicContact CD1-CB 4.38Å; L1337-P1344 HydrophobicContact CD1-CG 3.72Å; L1337-P1344 HydrophobicContact CG-CG 4.5Å; P1344-V1349 HydrophobicContact CG-CG2 3.94Å; P1344-Y1371 WeakPolarHBondContact O-CE1 3.39Å; P1344-Y1371 PolarHBondContact O-OH 2.99Å
1345P85Confident86.4Confident64 Ų6453.6 Ų53.642%0.41630%0.302SS..PPolyproline II helixtrans-51.5144.3-173.6-27.334.9000114.3H1347 E1348P1345-H1347 VanDerWaalsContact CB-CE1 3.49Å; P1345-H1347 WeakPolarHBondContact CB-CE1 3.43Å; P1345-H1347 PolarHBondContact O-N 3.38Å; P1345-H1347 VanDerWaalsContact O-N 3.08Å; P1345-E1348 HydrophobicContact CB-CG 4.41Å; P1345-E1348 WeakPolarHBondContact O-CA 3.11Å; P1345-E1348 WeakPolarHBondContact O-CB 3.14Å; P1345-E1348 PolarHBondContact O-N 3.27Å
1346A83.4Confident85.4Confident39 Ų3951.1 Ų51.132%0.32229%0.294SS..G310 helixtrans-54.5-33.4-175.200000114.9E1348 V1349 N1370 Y1371A1346-E1348 PolarHBondContact O-N 2.91Å; A1346-V1349 PolarHBondContact O-N 3.31Å; A1346-N1370 WeakPolarHBondContact CB-O 3.5Å; A1346-Y1371 HydrophobicContact CB-CD1 4.11Å; A1346-Y1371 HydrophobicContact CB-CE1 4.01Å
1347H86.8Confident83.9Confident166 Ų16655 Ų5577%0.76931%0.314SS*.G310 helixtrans-72.3-12.717762.6-103.6000113.8P1345P1345-H1347 VanDerWaalsContact CB-CE1 3.49Å; P1345-H1347 WeakPolarHBondContact CB-CE1 3.43Å; P1345-H1347 PolarHBondContact O-N 3.38Å; P1345-H1347 VanDerWaalsContact O-N 3.08Å
1348E88.1Confident82.2Confident84 Ų8459.8 Ų59.839%0.39334%0.341SS..G310 helixtrans-92.1-9.1171.7-55.8-165.6149.500113K1312 P1345 A1346K1312-E1348 VanDerWaalsContact CB-O 3.22Å; K1312-E1348 WeakPolarHBondContact CB-O 3.21Å; K1312-E1348 WeakPolarHBondContact CD-O 3.48Å; P1345-E1348 HydrophobicContact CB-CG 4.41Å; P1345-E1348 WeakPolarHBondContact O-CA 3.11Å; P1345-E1348 WeakPolarHBondContact O-CB 3.14Å; P1345-E1348 PolarHBondContact O-N 3.27Å; A1346-E1348 PolarHBondContact O-N 2.91Å
1349V90.2Very high80.4Confident22 Ų2266.5 Ų66.513%0.13338%0.375CS..  trans-106.7124.8-174.6178.30000110I1314 P1344 A1346 H1351 A1352 Y1371I1314-V1349 HydrophobicContact CD1-CG1 4.11Å; I1314-V1349 HydrophobicContact CD1-CG2 4.42Å; I1314-V1349 HydrophobicContact CG1-CG1 3.92Å; I1314-V1349 HydrophobicContact CG2-CG1 4.26Å; I1314-V1349 HydrophobicContact CG2-CG2 3.9Å; P1344-V1349 HydrophobicContact CG-CG2 3.94Å; A1346-V1349 PolarHBondContact O-N 3.31Å; V1349-H1351 WeakPolarHBondContact CG1-O 3.33Å; V1349-A1352 HydrophobicContact CG1-CB 4.5Å; V1349-Y1371 HydrophobicContact CB-CD1 4.16Å; V1349-Y1371 HydrophobicContact CB-CE1 4.3Å; V1349-Y1371 HydrophobicContact CG1-CD1 4.24Å; V1349-Y1371 HydrophobicContact CG2-CD1 4.25Å; V1349-Y1371 HydrophobicContact CG2-CE1 3.92Å
1350T91.4Very high78.6Confident67 Ų6767.5 Ų67.541%0.41138%0.382SS..SBendtrans-89.9-33.5177.263.40000112.9W1311 K1312W1311-T1350 WeakPolarHBondContact CA-OG1 3.47Å; K1312-T1350 HydrophobicContact CB-CG2 4.22Å; K1312-T1350 PolarHBondContact N-OG1 2.86Å; K1312-T1350 PolarHBondContact O-N 2.64Å; K1312-T1350 PolarHBondContact O-OG1 3.18Å
1351H91.6Very high77Confident9 Ų969.5 Ų69.54%0.04240%0.402CS..EExtended strand (participates in β ladder)trans-148.2136.7-175.6-61.592.7000109.3W1311 K1312 V1313 I1314 V1349 F1353 K1391W1311-H1351 AromaticContact CD2-CE1 3.56Å; W1311-H1351 AromaticContact CD2-ND1 3.46Å; W1311-H1351 AromaticContact CE2-CE1 3.45Å; W1311-H1351 VanDerWaalsContact CE2-CE1 3.45Å; W1311-H1351 AromaticContact CE2-ND1 3.87Å; W1311-H1351 AromaticContact CE3-ND1 3.65Å; W1311-H1351 AromaticContact CG-CE1 3.98Å; W1311-H1351 AromaticContact CG-ND1 3.8Å; W1311-H1351 AromaticContact CZ2-CE1 3.83Å; W1311-H1351 AromaticContact NE1-CE1 3.77Å; K1312-H1351 PolarHBondContact O-N 2.95Å; V1313-H1351 WeakPolarHBondContact CA-O 3.43Å; I1314-H1351 PolarHBondContact N-O 3.32Å; V1349-H1351 WeakPolarHBondContact CG1-O 3.33Å; H1351-F1353 HydrophobicContact CB-CE2 4.07Å; H1351-F1353 HydrophobicContact CB-CZ 4.05Å; H1351-K1391 WeakPolarHBondContact NE2-CE 3.22Å; H1351-K1391 PolarHBondContact NE2-NZ 3Å
1352A91Very high75.5Confident2 Ų271.3 Ų71.32%0.01741%0.405CS..EExtended strand (participates in β ladder)trans-124.1117.6175.500000108.6I1314 V1349 W1373 L1374I1314-A1352 HydrophobicContact CD1-CB 3.81Å; I1314-A1352 HydrophobicContact CG1-CB 3.48Å; I1314-A1352 VanDerWaalsContact CG1-CB 3.48Å; I1314-A1352 WeakPolarHBondContact O-CA 2.96Å; V1349-A1352 HydrophobicContact CG1-CB 4.5Å; A1352-W1373 HydrophobicContact CB-CD2 4.02Å; A1352-W1373 HydrophobicContact CB-CE3 3.68Å; A1352-W1373 HydrophobicContact CB-CH2 4.22Å; A1352-W1373 HydrophobicContact CB-CZ3 3.79Å; A1352-W1373 CarbonylContact O-C 3.52Å; A1352-L1374 PolarHBondContact O-N 3.44Å
1353F90.4Very high74.2Confident0 Ų072 Ų720%040%0.401CS..EExtended strand (participates in β ladder)trans-106.1140.2-176-67-62.1000112.5W1311 V1313 I1314 F1315 G1316 H1351 L1374 I1376 Y1378 L1379W1311-F1353 HydrophobicContact CZ3-CE2 4.15Å; W1311-F1353 AromaticContact CZ3-CZ 3.89Å; W1311-F1353 HydrophobicContact CZ3-CZ 3.89Å; V1313-F1353 HydrophobicContact CG1-CD2 3.52Å; V1313-F1353 HydrophobicContact CG1-CE2 3.74Å; I1314-F1353 PolarHBondContact O-N 3.02Å; F1315-F1353 CarbonylContact C-O 3.59Å; F1315-F1353 WeakPolarHBondContact CA-O 3.22Å; F1315-F1353 HydrophobicContact CD1-CB 3.88Å; F1315-F1353 HydrophobicContact CE1-CB 4.01Å; F1315-F1353 HydrophobicContact CE1-CD2 4.19Å; G1316-F1353 PolarHBondContact N-O 3.48Å; H1351-F1353 HydrophobicContact CB-CE2 4.07Å; H1351-F1353 HydrophobicContact CB-CZ 4.05Å; F1353-L1374 WeakPolarHBondContact CA-O 3.18Å; F1353-L1374 HydrophobicContact CD1-CB 3.76Å; F1353-L1374 HydrophobicContact CE1-CB 3.85Å; F1353-L1374 HydrophobicContact CE1-CD1 3.98Å; F1353-I1376 HydrophobicContact CB-CD1 3.84Å; F1353-I1376 HydrophobicContact CD1-CD1 4.41Å; F1353-I1376 HydrophobicContact CD2-CD1 4.4Å; F1353-I1376 HydrophobicContact CG-CD1 3.98Å; F1353-Y1378 AromaticContact CE1-CD1 3.78Å; F1353-Y1378 HydrophobicContact CE1-CD1 3.78Å; F1353-Y1378 HydrophobicContact CE1-CG 4.41Å; F1353-Y1378 AromaticContact CZ-CD1 3.93Å; F1353-Y1378 HydrophobicContact CZ-CD1 3.93Å; F1353-L1379 HydrophobicContact CE2-CD1 4.35Å; F1353-L1379 HydrophobicContact CZ-CB 4.33Å
1354V86.2Confident72.5Confident7 Ų772.7 Ų72.74%0.04241%0.409CS..EExtended strand (participates in β ladder)trans-136.4153.3172.268.30000110.7P1317 L1367 W1373 L1374 I1376 L1396P1317-V1354 WeakPolarHBondContact O-CG2 3.44Å; V1354-L1367 HydrophobicContact CG2-CD1 4.5Å; V1354-W1373 HydrophobicContact CB-CE3 4.1Å; V1354-W1373 HydrophobicContact CG1-CB 4.32Å; V1354-W1373 HydrophobicContact CG1-CE3 4.45Å; V1354-L1374 PolarHBondContact N-O 3.1Å; V1354-I1376 PolarHBondContact O-N 3.06Å; V1354-L1396 HydrophobicContact CG1-CD1 3.32Å
1355K77.6Confident71.1Confident64 Ų6477.3 Ų77.328%0.27844%0.442SS..  trans-107.8115174.4-174.1-172.1179.8-171.40109.3D1320D1320-K1355 WeakPolarHBondContact OD1-CD 3.39Å; D1320-K1355 IonicContact OD1-NZ 2.82Å; D1320-K1355 PolarHBondContact OD1-NZ 3.15Å; D1320-K1355 IonicContact OD2-NZ 3.48Å; D1320-K1355 PolarHBondContact OD2-NZ 2.57Å
1356I71.1Confident70Confident85 Ų8579.8 Ų79.844%0.43646%0.457SS..  trans-84.6135.2167.3-61.9174000108.2L1396I1356-L1396 HydrophobicContact CD1-CD1 3.7Å; I1356-L1396 HydrophobicContact CD1-CD2 3.48Å; I1356-L1396 VanDerWaalsContact CD1-CD2 3.48Å; I1356-L1396 HydrophobicContact CD1-CG 4.2Å; I1356-L1396 HydrophobicContact CG1-CD1 4.21Å
1357N61.1Low69.6Low90 Ų9079.2 Ų79.248%0.48145%0.448SS..  trans-93.3130.6166.1-72.6-25.4000108.9N1359 S1360N1357-N1359 PolarHBondContact O-N 3.23Å; N1357-S1360 PolarHBondContact O-N 3.16Å; N1357-S1360 PolarHBondContact O-OG 3.18Å
1358N54.5Low69Low159 Ų15973.4 Ų73.485%0.8543%0.425SS*.THydrogen-bonded Turntrans-58-18.8-172.5-6610.1000115S1360N1358-S1360 VanDerWaalsContact C-N 3.34Å
1359N48Very low68.6Low164 Ų16481.1 Ų81.188%0.87745%0.45SS*.THydrogen-bonded Turntrans-862.1-179.7-69.818.4000114N1357N1357-N1359 PolarHBondContact O-N 3.23Å
1360S44.8Very low68.3Low55 Ų5584.3 Ų84.339%0.38547%0.467SS..  trans-13194.3178.958.10000111.5N1357 N1358 I1362N1357-S1360 PolarHBondContact O-N 3.16Å; N1357-S1360 PolarHBondContact O-OG 3.18Å; N1358-S1360 VanDerWaalsContact C-N 3.34Å; S1360-I1362 PolarHBondContact O-N 3.09Å
1361A44.4Very low68Low108 Ų10882.5 Ų82.589%0.89345%0.452SS*.  trans-70.214.7170.600000113.8I1363A1361-I1363 PolarHBondContact O-N 3.3Å
1362I45.8Very low67.7Low135 Ų13585.6 Ų85.669%0.69248%0.475SS*.  trans-87.797.8176-56.9176.3000107.2S1360 P1364S1360-I1362 PolarHBondContact O-N 3.09Å; I1362-P1364 WeakPolarHBondContact O-CD 3.41Å
1363I52.9Low67.6Low133 Ų13386.1 Ų86.168%0.68248%0.477SS*.  trans-53120.9161.7-60.3169.2000106.5A1361 S1365A1361-I1363 PolarHBondContact O-N 3.3Å; I1363-S1365 PolarHBondContact O-N 3.39Å
1364P51.6Low67.5Low46 Ų4686.3 Ų86.330%0.29948%0.478SS..  trans-69.4107-175.8-13.426.4000109.5I1362 T1366 L1367I1362-P1364 WeakPolarHBondContact O-CD 3.41Å; P1364-T1366 WeakPolarHBondContact CB-OG1 3.43Å; P1364-T1366 PolarHBondContact O-N 2.98Å; P1364-L1367 HydrophobicContact CB-CD1 4.41Å; P1364-L1367 HydrophobicContact CB-CG 4.14Å; P1364-L1367 HydrophobicContact CG-CD1 4.15Å; P1364-L1367 HydrophobicContact CG-CG 4.36Å; P1364-L1367 PolarHBondContact O-N 2.96Å
1365S56.3Low67.6Low125 Ų12589.3 Ų89.387%0.87449%0.488SS*.THydrogen-bonded Turntrans-61.3-5.2172.4520000113.5I1363I1363-S1365 PolarHBondContact O-N 3.39Å
1366T62.9Low68.1Low116 Ų11687.5 Ų87.571%0.71248%0.481SS*.THydrogen-bonded Turntrans-86.6-11172.453.10000114.3P1364 P1368P1364-T1366 WeakPolarHBondContact CB-OG1 3.43Å; P1364-T1366 PolarHBondContact O-N 2.98Å; T1366-P1368 WeakPolarHBondContact O-CD 3.32Å
1367L74Confident68.7Low26 Ų2686.5 Ų86.514%0.13648%0.477CS..SBendtrans-73127.2174.1-74.4174.6000110.5P1317 V1354 P1364 R1369 W1373P1317-L1367 HydrophobicContact CG-CD2 4.35Å; V1354-L1367 HydrophobicContact CG2-CD1 4.5Å; P1364-L1367 HydrophobicContact CB-CD1 4.41Å; P1364-L1367 HydrophobicContact CB-CG 4.14Å; P1364-L1367 HydrophobicContact CG-CD1 4.15Å; P1364-L1367 HydrophobicContact CG-CG 4.36Å; P1364-L1367 PolarHBondContact O-N 2.96Å; L1367-R1369 PolarHBondContact O-N 2.77Å; L1367-W1373 HydrophobicContact CD1-CD2 4.4Å; L1367-W1373 HydrophobicContact CD1-CG 4.25Å; L1367-W1373 HydrophobicContact CD2-CD2 4.02Å; L1367-W1373 HydrophobicContact CD2-CE3 4.24Å; L1367-W1373 HydrophobicContact CD2-CH2 4.19Å; L1367-W1373 HydrophobicContact CD2-CZ2 3.97Å; L1367-W1373 HydrophobicContact CD2-CZ3 4.32Å
1368P75.8Confident70.1Confident45 Ų4582.2 Ų82.229%0.29245%0.454SS..  trans-63.9123.7176.1-20.931.7000111.6Y1343 T1366 N1370 Y1371 W1373Y1343-P1368 HydrophobicContact CD2-CG 4.2Å; T1366-P1368 WeakPolarHBondContact O-CD 3.32Å; P1368-N1370 WeakPolarHBondContact CB-OD1 3.23Å; P1368-N1370 PolarHBondContact O-N 2.73Å; P1368-N1370 VanDerWaalsContact O-N 3.11Å; P1368-Y1371 HydrophobicContact CB-CD2 3.96Å; P1368-Y1371 HydrophobicContact CB-CE2 3.76Å; P1368-Y1371 HydrophobicContact CG-CE2 4.2Å; P1368-W1373 PolarHBondContact O-NE1 3.3Å
1369R79Confident71.7Confident246 Ų24674.6 Ų74.693%0.92841%0.413SS*.THydrogen-bonded Turntrans-68.5-4.6-176.4-64.7-175.6178.1-172.4-1.6115L1367 Y1371L1367-R1369 PolarHBondContact O-N 2.77Å; R1369-Y1371 VanDerWaalsContact C-N 3.34Å
1370N84.4Confident73.6Confident88 Ų8867.5 Ų67.547%0.47138%0.376SS..THydrogen-bonded Turntrans-88.13.2-178.364.9-65.9000113.8A1346 P1368A1346-N1370 WeakPolarHBondContact CB-O 3.5Å; P1368-N1370 WeakPolarHBondContact CB-OD1 3.23Å; P1368-N1370 PolarHBondContact O-N 2.73Å; P1368-N1370 VanDerWaalsContact O-N 3.11Å
1371Y84.2Confident75.6Confident29 Ų2966.2 Ų66.211%0.11437%0.367CS..SBendtrans-120.6144.2171.4-45.8-84.3000110I1314 Y1343 P1344 A1346 V1349 P1368 R1369 W1373I1314-Y1371 HydrophobicContact CD1-CD1 3.83Å; I1314-Y1371 HydrophobicContact CD1-CD2 4.17Å; I1314-Y1371 HydrophobicContact CD1-CE1 3.99Å; I1314-Y1371 HydrophobicContact CD1-CE2 4.32Å; I1314-Y1371 HydrophobicContact CD1-CG 3.95Å; Y1343-Y1371 WeakPolarHBondContact CB-OH 3.3Å; P1344-Y1371 WeakPolarHBondContact O-CE1 3.39Å; P1344-Y1371 PolarHBondContact O-OH 2.99Å; A1346-Y1371 HydrophobicContact CB-CD1 4.11Å; A1346-Y1371 HydrophobicContact CB-CE1 4.01Å; V1349-Y1371 HydrophobicContact CB-CD1 4.16Å; V1349-Y1371 HydrophobicContact CB-CE1 4.3Å; V1349-Y1371 HydrophobicContact CG1-CD1 4.24Å; V1349-Y1371 HydrophobicContact CG2-CD1 4.25Å; V1349-Y1371 HydrophobicContact CG2-CE1 3.92Å; P1368-Y1371 HydrophobicContact CB-CD2 3.96Å; P1368-Y1371 HydrophobicContact CB-CE2 3.76Å; P1368-Y1371 HydrophobicContact CG-CE2 4.2Å; R1369-Y1371 VanDerWaalsContact C-N 3.34Å; Y1371-W1373 AromaticContact CD2-CZ2 3.81Å; Y1371-W1373 HydrophobicContact CD2-CZ2 3.81Å; Y1371-W1373 HydrophobicContact CG-CZ2 4.35Å; Y1371-W1373 VanDerWaalsContact O-CD1 3.24Å; Y1371-W1373 PolarHBondContact O-N 3.36Å
1372S86.5Confident77.8Confident74 Ų7462.2 Ų62.252%0.51733%0.329SS..  trans-78.3104166.9-175.10000108.6
1373W88.7Confident79.9Confident13 Ų1355.8 Ų55.85%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-80.9129.9-179.3-68.194.7000110.8I1314 Y1343 A1352 V1354 L1367 P1368 Y1371 T1395 L1396I1314-W1373 HydrophobicContact CD1-CH2 3.76Å; I1314-W1373 HydrophobicContact CD1-CZ2 4.19Å; I1314-W1373 HydrophobicContact CD1-CZ3 4.42Å; I1314-W1373 HydrophobicContact CG1-CH2 4.18Å; I1314-W1373 HydrophobicContact CG1-CZ3 4.39Å; Y1343-W1373 HydrophobicContact CE2-CH2 4.22Å; A1352-W1373 HydrophobicContact CB-CD2 4.02Å; A1352-W1373 HydrophobicContact CB-CE3 3.68Å; A1352-W1373 HydrophobicContact CB-CH2 4.22Å; A1352-W1373 HydrophobicContact CB-CZ3 3.79Å; A1352-W1373 CarbonylContact O-C 3.52Å; V1354-W1373 HydrophobicContact CB-CE3 4.1Å; V1354-W1373 HydrophobicContact CG1-CB 4.32Å; V1354-W1373 HydrophobicContact CG1-CE3 4.45Å; L1367-W1373 HydrophobicContact CD1-CD2 4.4Å; L1367-W1373 HydrophobicContact CD1-CG 4.25Å; L1367-W1373 HydrophobicContact CD2-CD2 4.02Å; L1367-W1373 HydrophobicContact CD2-CE3 4.24Å; L1367-W1373 HydrophobicContact CD2-CH2 4.19Å; L1367-W1373 HydrophobicContact CD2-CZ2 3.97Å; L1367-W1373 HydrophobicContact CD2-CZ3 4.32Å; P1368-W1373 PolarHBondContact O-NE1 3.3Å; Y1371-W1373 AromaticContact CD2-CZ2 3.81Å; Y1371-W1373 HydrophobicContact CD2-CZ2 3.81Å; Y1371-W1373 HydrophobicContact CG-CZ2 4.35Å; Y1371-W1373 VanDerWaalsContact O-CD1 3.24Å; Y1371-W1373 PolarHBondContact O-N 3.36Å; W1373-T1395 CarbonylContact O-C 3.58Å; W1373-T1395 WeakPolarHBondContact O-CA 3.49Å; W1373-L1396 PolarHBondContact O-N 3.35Å
1374L88.5Confident81.4Confident4 Ų450.3 Ų50.32%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-113.9144.3-177-61.2175.4000111.2A1352 F1353 V1354 Y1378 K1391 F1394A1352-L1374 PolarHBondContact O-N 3.44Å; F1353-L1374 WeakPolarHBondContact CA-O 3.18Å; F1353-L1374 HydrophobicContact CD1-CB 3.76Å; F1353-L1374 HydrophobicContact CE1-CB 3.85Å; F1353-L1374 HydrophobicContact CE1-CD1 3.98Å; V1354-L1374 PolarHBondContact N-O 3.1Å; L1374-Y1378 HydrophobicContact CD1-CD1 4.22Å; L1374-Y1378 HydrophobicContact CD1-CE1 4.47Å; L1374-K1391 HydrophobicContact CD2-CB 4.13Å; L1374-F1394 CarbonylContact C-O 3.57Å; L1374-F1394 VanDerWaalsContact CA-O 3.28Å; L1374-F1394 WeakPolarHBondContact CA-O 3.5Å; L1374-F1394 HydrophobicContact CD2-CB 4.31Å
1375R88.6Confident82.8Confident71 Ų7149.9 Ų49.927%0.26827%0.268SS..EExtended strand (participates in β ladder)trans-65.1137167.1-59.5-174.8-67.4110.9-10.6110D1377 Y1378 E1393 F1394 L1396R1375-D1377 WeakPolarHBondContact CB-OD1 3.37Å; R1375-D1377 IonicContact CZ-OD1 3.65Å; R1375-D1377 IonicContact CZ-OD2 2.7Å; R1375-D1377 IonicContact NH1-OD1 2.98Å; R1375-D1377 PolarHBondContact NH1-OD1 3.17Å; R1375-D1377 IonicContact NH1-OD2 3.78Å; R1375-D1377 PolarHBondContact NH1-OD2 2.9Å; R1375-D1377 PolarHBondContact O-N 3.06Å; R1375-D1377 VanDerWaalsContact O-N 3.14Å; R1375-Y1378 WeakPolarHBondContact O-CB 3.39Å; R1375-Y1378 PolarHBondContact O-N 2.94Å; R1375-E1393 PolarHBondContact NE-O 2.79Å; R1375-E1393 PolarHBondContact NH2-O 2.99Å; R1375-F1394 WeakPolarHBondContact CG-O 3.13Å; R1375-F1394 PolarHBondContact N-O 2.74Å; R1375-L1396 HydrophobicContact CG-CD1 4.05Å; R1375-L1396 HydrophobicContact CG-CD2 3.69Å; R1375-L1396 HydrophobicContact CG-CG 3.95Å
1376I86.3Confident83.5Confident26 Ų2644.9 Ų44.913%0.13324%0.236CC..THydrogen-bonded Turntrans-62.3-21.1-172.8-168.460.4000114.6F1315 F1325 F1353 V1354 Y1378 L1379F1315-I1376 HydrophobicContact CE1-CD1 3.87Å; F1325-I1376 HydrophobicContact CB-CD1 4.44Å; F1325-I1376 HydrophobicContact CD1-CD1 4.13Å; F1325-I1376 HydrophobicContact CD1-CG1 4.19Å; F1325-I1376 HydrophobicContact CD2-CD1 3.9Å; F1325-I1376 HydrophobicContact CD2-CG1 3.85Å; F1325-I1376 HydrophobicContact CE1-CD1 4.34Å; F1325-I1376 HydrophobicContact CE1-CG1 3.9Å; F1325-I1376 HydrophobicContact CE2-CD1 4.12Å; F1325-I1376 HydrophobicContact CE2-CG1 3.53Å; F1325-I1376 HydrophobicContact CG-CD1 3.9Å; F1325-I1376 HydrophobicContact CG-CG1 4.17Å; F1325-I1376 HydrophobicContact CZ-CD1 4.34Å; F1325-I1376 HydrophobicContact CZ-CG1 3.56Å; F1353-I1376 HydrophobicContact CB-CD1 3.84Å; F1353-I1376 HydrophobicContact CD1-CD1 4.41Å; F1353-I1376 HydrophobicContact CD2-CD1 4.4Å; F1353-I1376 HydrophobicContact CG-CD1 3.98Å; V1354-I1376 PolarHBondContact O-N 3.06Å; I1376-Y1378 VanDerWaalsContact C-N 3.26Å; I1376-Y1378 PolarHBondContact O-N 2.79Å; I1376-L1379 PolarHBondContact O-N 3.31Å
1377D85.2Confident84Confident63 Ų6345.1 Ų45.134%0.33723%0.229SC..Hα-helixtrans-68.7-21.117858.6-47.9000113.6R1375 L1379 C1380 S1381 F1394R1375-D1377 WeakPolarHBondContact CB-OD1 3.37Å; R1375-D1377 IonicContact CZ-OD1 3.65Å; R1375-D1377 IonicContact CZ-OD2 2.7Å; R1375-D1377 IonicContact NH1-OD1 2.98Å; R1375-D1377 PolarHBondContact NH1-OD1 3.17Å; R1375-D1377 IonicContact NH1-OD2 3.78Å; R1375-D1377 PolarHBondContact NH1-OD2 2.9Å; R1375-D1377 PolarHBondContact O-N 3.06Å; R1375-D1377 VanDerWaalsContact O-N 3.14Å; D1377-L1379 PolarHBondContact O-N 2.84Å; D1377-C1380 PolarHBondContact O-N 2.78Å; D1377-C1380 VanDerWaalsContact O-N 3.12Å; D1377-S1381 PolarHBondContact O-N 2.81Å; D1377-S1381 PolarHBondContact O-OG 2.89Å; D1377-F1394 WeakPolarHBondContact OD2-CE1 3.44Å
1378Y89.6Confident84Confident0 Ų050.1 Ų50.10%025%0.252CS..Hα-helixtrans-50-43.4171.3175-98000112.4W1311 F1353 L1374 R1375 I1376 C1380 S1381 Y1382 I1389 K1391 F1394W1311-Y1378 HydrophobicContact CH2-CD1 4.29Å; W1311-Y1378 AromaticContact CH2-CE1 3.66Å; W1311-Y1378 HydrophobicContact CH2-CE1 3.66Å; W1311-Y1378 HydrophobicContact CZ2-CE1 4.28Å; W1311-Y1378 HydrophobicContact CZ3-CE1 4.43Å; F1353-Y1378 AromaticContact CE1-CD1 3.78Å; F1353-Y1378 HydrophobicContact CE1-CD1 3.78Å; F1353-Y1378 HydrophobicContact CE1-CG 4.41Å; F1353-Y1378 AromaticContact CZ-CD1 3.93Å; F1353-Y1378 HydrophobicContact CZ-CD1 3.93Å; L1374-Y1378 HydrophobicContact CD1-CD1 4.22Å; L1374-Y1378 HydrophobicContact CD1-CE1 4.47Å; R1375-Y1378 WeakPolarHBondContact O-CB 3.39Å; R1375-Y1378 PolarHBondContact O-N 2.94Å; I1376-Y1378 VanDerWaalsContact C-N 3.26Å; I1376-Y1378 PolarHBondContact O-N 2.79Å; Y1378-C1380 VanDerWaalsContact C-N 3.34Å; Y1378-C1380 PolarHBondContact O-N 2.89Å; Y1378-S1381 PolarHBondContact O-N 2.73Å; Y1378-Y1382 WeakPolarHBondContact O-CB 3.38Å; Y1378-Y1382 PolarHBondContact O-N 2.97Å; Y1378-I1389 HydrophobicContact CE2-CB 4.16Å; Y1378-K1391 HydrophobicContact CE2-CG 3.83Å; Y1378-K1391 VanDerWaalsContact OH-CE 3.22Å; Y1378-K1391 WeakPolarHBondContact OH-CE 3.46Å; Y1378-F1394 HydrophobicContact CD2-CB 4.16Å; Y1378-F1394 AromaticContact CD2-CD2 3.66Å; Y1378-F1394 HydrophobicContact CD2-CD2 3.66Å; Y1378-F1394 HydrophobicContact CD2-CE2 4.23Å; Y1378-F1394 AromaticContact CD2-CG 3.84Å; Y1378-F1394 HydrophobicContact CD2-CG 3.84Å; Y1378-F1394 HydrophobicContact CG-CB 4.4Å; Y1378-F1394 HydrophobicContact CG-CG 4.28Å
1379L88.8Confident84.2Confident0 Ų050.1 Ų50.10%025%0.249CC..Hα-helixtrans-62-41.6-178.4178.2145.1000112F1308 F1325 I1328 I1329 F1353 I1376 D1377 L1383F1308-L1379 HydrophobicContact CE1-CD1 4.15Å; F1308-L1379 HydrophobicContact CE1-CG 3.96Å; F1308-L1379 HydrophobicContact CZ-CD1 3.94Å; F1308-L1379 HydrophobicContact CZ-CD2 4.08Å; F1308-L1379 HydrophobicContact CZ-CG 3.7Å; F1325-L1379 HydrophobicContact CD1-CD2 4.39Å; I1328-L1379 HydrophobicContact CG2-CD2 3.92Å; I1329-L1379 HydrophobicContact CD1-CD1 3.87Å; I1329-L1379 HydrophobicContact CG1-CD1 3.49Å; I1329-L1379 VanDerWaalsContact CG1-CD1 3.49Å; F1353-L1379 HydrophobicContact CE2-CD1 4.35Å; F1353-L1379 HydrophobicContact CZ-CB 4.33Å; I1376-L1379 PolarHBondContact O-N 3.31Å; D1377-L1379 PolarHBondContact O-N 2.84Å; L1379-L1383 HydrophobicContact CD2-CD1 4.34Å; L1379-L1383 PolarHBondContact O-N 2.78Å
1380C86.9Confident84.4Confident15 Ų1542.1 Ų42.110%0.10123%0.231CC..Hα-helixtrans-73.9-32.2177.8-63.80000111.6R1220 D1377 Y1378 S1384R1220-C1380 VanDerWaalsContact NH2-C 3.27Å; R1220-C1380 VanDerWaalsContact NH2-CB 3.34Å; R1220-C1380 PolarHBondContact NH2-O 2.84Å; D1377-C1380 PolarHBondContact O-N 2.78Å; D1377-C1380 VanDerWaalsContact O-N 3.12Å; Y1378-C1380 VanDerWaalsContact C-N 3.34Å; Y1378-C1380 PolarHBondContact O-N 2.89Å; C1380-S1384 PolarHBondContact O-N 3.17Å; C1380-S1384 PolarHBondContact O-OG 3.47Å
1381S87Confident84.4Confident27 Ų2741 Ų4119%0.18922%0.221CC..Hα-helixtrans-68.8-46.1174.7-630000111.7D1377 Y1378 L1383 S1384 S1385 I1389D1377-S1381 PolarHBondContact O-N 2.81Å; D1377-S1381 PolarHBondContact O-OG 2.89Å; Y1378-S1381 PolarHBondContact O-N 2.73Å; S1381-L1383 VanDerWaalsContact C-N 3.34Å; S1381-L1383 PolarHBondContact O-N 3.47Å; S1381-S1384 CarbonylContact O-C 3.09Å; S1381-S1384 WeakPolarHBondContact O-CA 3.12Å; S1381-S1384 VanDerWaalsContact O-CB 3.28Å; S1381-S1384 WeakPolarHBondContact O-CB 3.4Å; S1381-S1384 PolarHBondContact O-N 3.17Å; S1381-S1385 PolarHBondContact O-N 3.39Å; S1381-S1385 PolarHBondContact O-OG 2.8Å; S1381-I1389 WeakPolarHBondContact O-CD1 3.48Å
1382Y90.4Very high84.3Confident24 Ų2443.8 Ų43.89%0.09425%0.246CC..Hα-helixtrans-58-42.2175.5175.8-96.1000112.7W1300 A1307 F1308 W1311 Y1378 S1384 S1385 G1386 E1388W1300-Y1382 AromaticContact CH2-CE1 3.98Å; W1300-Y1382 HydrophobicContact CH2-CE1 3.98Å; W1300-Y1382 HydrophobicContact CZ2-CD1 4.44Å; W1300-Y1382 AromaticContact CZ2-CE1 3.88Å; W1300-Y1382 HydrophobicContact CZ2-CE1 3.88Å; A1307-Y1382 WeakPolarHBondContact O-CE1 3.42Å; A1307-Y1382 PolarHBondContact O-OH 2.99Å; F1308-Y1382 HydrophobicContact CD1-CD1 4.25Å; F1308-Y1382 HydrophobicContact CD1-CE1 4.1Å; F1308-Y1382 AromaticContact CE1-CD1 3.79Å; F1308-Y1382 HydrophobicContact CE1-CD1 3.79Å; F1308-Y1382 HydrophobicContact CE1-CE1 4.08Å; W1311-Y1382 AromaticContact CH2-CD1 3.86Å; W1311-Y1382 HydrophobicContact CH2-CD1 3.86Å; W1311-Y1382 HydrophobicContact CH2-CE1 4.15Å; W1311-Y1382 HydrophobicContact CH2-CG 4.1Å; W1311-Y1382 AromaticContact CZ2-CD1 3.72Å; W1311-Y1382 HydrophobicContact CZ2-CD1 3.72Å; W1311-Y1382 HydrophobicContact CZ2-CD2 4.2Å; W1311-Y1382 AromaticContact CZ2-CE1 3.56Å; W1311-Y1382 HydrophobicContact CZ2-CE1 3.56Å; W1311-Y1382 HydrophobicContact CZ2-CE2 4.06Å; W1311-Y1382 HydrophobicContact CZ2-CG 4.03Å; W1311-Y1382 AromaticContact CZ2-CZ 3.74Å; Y1378-Y1382 WeakPolarHBondContact O-CB 3.38Å; Y1378-Y1382 PolarHBondContact O-N 2.97Å; Y1382-S1384 PolarHBondContact O-N 3.21Å; Y1382-S1385 PolarHBondContact O-OG 3.11Å; Y1382-S1385 VanDerWaalsContact O-OG 3.09Å; Y1382-G1386 PolarHBondContact O-N 3.27Å; Y1382-G1386 VanDerWaalsContact O-N 3.12Å; Y1382-E1388 HydrophobicContact CE2-CG 3.88Å
1383L89.6Confident84.1Confident0 Ų046.6 Ų46.60%025%0.25CS..Hα-helixtrans-64.2-24.4171.2-77.6179.6000113.5L1225 A1229 S1296 W1300 A1307 F1308 I1328 L1379 S1381L1225-L1383 HydrophobicContact CB-CD1 4.27Å; L1225-L1383 HydrophobicContact CD2-CD1 3.91Å; A1229-L1383 HydrophobicContact CB-CD1 4.43Å; A1229-L1383 HydrophobicContact CB-CD2 4.06Å; S1296-L1383 WeakPolarHBondContact CB-O 3.36Å; W1300-L1383 PolarHBondContact NE1-O 2.99Å; A1307-L1383 HydrophobicContact CB-CD2 3.67Å; F1308-L1383 HydrophobicContact CE1-CD2 4.37Å; F1308-L1383 HydrophobicContact CE1-CG 4.31Å; F1308-L1383 HydrophobicContact CE2-CD1 4.26Å; F1308-L1383 HydrophobicContact CE2-CD2 4.23Å; F1308-L1383 HydrophobicContact CE2-CG 4.42Å; F1308-L1383 HydrophobicContact CZ-CD1 3.75Å; F1308-L1383 HydrophobicContact CZ-CD2 3.77Å; F1308-L1383 HydrophobicContact CZ-CG 3.64Å; I1328-L1383 HydrophobicContact CG2-CD1 4.05Å; L1379-L1383 HydrophobicContact CD2-CD1 4.34Å; L1379-L1383 PolarHBondContact O-N 2.78Å; S1381-L1383 VanDerWaalsContact C-N 3.34Å; S1381-L1383 PolarHBondContact O-N 3.47Å
1384S85.6Confident83.9Confident18 Ų1846.3 Ų46.313%0.12625%0.249CC..Hα-helixtrans-86.3-33.4-179.6-51.60000113.2R1220 S1296 C1380 S1381 Y1382R1220-S1384 PolarHBondContact NH1-OG 3.08Å; S1296-S1384 PolarHBondContact OG-O 3.44Å; C1380-S1384 PolarHBondContact O-N 3.17Å; C1380-S1384 PolarHBondContact O-OG 3.47Å; S1381-S1384 CarbonylContact O-C 3.09Å; S1381-S1384 WeakPolarHBondContact O-CA 3.12Å; S1381-S1384 VanDerWaalsContact O-CB 3.28Å; S1381-S1384 WeakPolarHBondContact O-CB 3.4Å; S1381-S1384 PolarHBondContact O-N 3.17Å; Y1382-S1384 PolarHBondContact O-N 3.21Å
1385S80.7Confident83.7Confident37 Ų3748.7 Ų48.726%0.25927%0.265SS..Hα-helixtrans-76-41.9174.754.30000112.4R1299 S1381 Y1382 E1387 I1389R1299-S1385 PolarHBondContact NH1-O 3.22Å; S1381-S1385 PolarHBondContact O-N 3.39Å; S1381-S1385 PolarHBondContact O-OG 2.8Å; Y1382-S1385 PolarHBondContact O-OG 3.11Å; Y1382-S1385 VanDerWaalsContact O-OG 3.09Å; S1385-E1387 PolarHBondContact OG-N 2.94Å; S1385-E1387 PolarHBondContact OG-O 2.96Å; S1385-I1389 WeakPolarHBondContact OG-CG1 3.48Å
1386G70.8Confident83Confident21 Ų2150.2 Ų50.222%0.21628%0.277CS..SBendtrans75.89.8-166.500000113.8Y1382Y1382-G1386 PolarHBondContact O-N 3.27Å; Y1382-G1386 VanDerWaalsContact O-N 3.12Å
1387E73.7Confident82.8Confident121 Ų12151.4 Ų51.457%0.56528%0.284SS*.SBendtrans-142152.8-174.3-69.4168.4-135.700109.6R1299 S1385 I1389R1299-E1387 IonicContact CZ-OE1 3.9Å; R1299-E1387 IonicContact NH1-OE1 2.67Å; R1299-E1387 PolarHBondContact NH1-OE1 2.95Å; R1299-E1387 IonicContact NH2-OE1 3.23Å; S1385-E1387 PolarHBondContact OG-N 2.94Å; S1385-E1387 PolarHBondContact OG-O 2.96Å; E1387-I1389 PolarHBondContact O-N 2.98Å
1388E73.4Confident82.7Confident131 Ų13150.8 Ų50.861%0.61228%0.282SS*.  trans-63.9117.5178.7-98.4-156.9128.600111.5Y1382 K1391Y1382-E1388 HydrophobicContact CE2-CG 3.88Å; E1388-K1391 WeakPolarHBondContact OE1-CE 3.2Å; E1388-K1391 IonicContact OE1-NZ 2.95Å; E1388-K1391 PolarHBondContact OE1-NZ 2.7Å
1389I80.5Confident82.3Confident45 Ų4553.6 Ų53.623%0.23130%0.297CS..  trans-85.7146.3176.9-55.6180000109Y1378 S1381 S1385 E1387 K1391 F1394Y1378-I1389 HydrophobicContact CE2-CB 4.16Å; S1381-I1389 WeakPolarHBondContact O-CD1 3.48Å; S1385-I1389 WeakPolarHBondContact OG-CG1 3.48Å; E1387-I1389 PolarHBondContact O-N 2.98Å; I1389-K1391 PolarHBondContact O-N 3.33Å; I1389-F1394 HydrophobicContact CG2-CE2 3.89Å
1390S83.6Confident81.9Confident77 Ų7756.8 Ų56.854%0.53832%0.315SS..  trans-56.3115.7173.3-171.10000111.1S1392S1390-S1392 PolarHBondContact O-N 2.83Å; S1390-S1392 VanDerWaalsContact O-N 3.17Å; S1390-S1392 PolarHBondContact OG-OG 3.08Å
1391K84.2Confident81.6Confident64 Ų6459.4 Ų59.428%0.27833%0.328SS..G310 helixtrans-64.2-22.2-177.9-64.7172.3-166.8-178.80111.9H1351 L1374 Y1378 E1388 I1389 E1393 F1394 T1395H1351-K1391 WeakPolarHBondContact NE2-CE 3.22Å; H1351-K1391 PolarHBondContact NE2-NZ 3Å; L1374-K1391 HydrophobicContact CD2-CB 4.13Å; Y1378-K1391 HydrophobicContact CE2-CG 3.83Å; Y1378-K1391 VanDerWaalsContact OH-CE 3.22Å; Y1378-K1391 WeakPolarHBondContact OH-CE 3.46Å; E1388-K1391 WeakPolarHBondContact OE1-CE 3.2Å; E1388-K1391 IonicContact OE1-NZ 2.95Å; E1388-K1391 PolarHBondContact OE1-NZ 2.7Å; I1389-K1391 PolarHBondContact O-N 3.33Å; K1391-E1393 VanDerWaalsContact C-N 3.3Å; K1391-E1393 PolarHBondContact O-N 2.81Å; K1391-F1394 CarbonylContact O-C 3.55Å; K1391-F1394 WeakPolarHBondContact O-CA 3.01Å; K1391-F1394 PolarHBondContact O-N 2.89Å; K1391-T1395 PolarHBondContact O-N 3.18Å; K1391-T1395 PolarHBondContact O-OG1 2.77Å; K1391-T1395 VanDerWaalsContact O-OG1 3.06Å
1392S82.4Confident81.2Confident89 Ų8961.5 Ų61.562%0.62234%0.337SS*.G310 helixtrans-56.7-32.6-177620000115.5S1390 F1394S1390-S1392 PolarHBondContact O-N 2.83Å; S1390-S1392 VanDerWaalsContact O-N 3.17Å; S1390-S1392 PolarHBondContact OG-OG 3.08Å; S1392-F1394 PolarHBondContact O-N 3.3Å
1393E81.1Confident80.6Confident132 Ų13264.2 Ų64.262%0.61736%0.355SS*.G310 helixtrans-73.5-20.3177-168.6-169.7153.400111.9R1375 K1391R1375-E1393 PolarHBondContact NE-O 2.79Å; R1375-E1393 PolarHBondContact NH2-O 2.99Å; K1391-E1393 VanDerWaalsContact C-N 3.3Å; K1391-E1393 PolarHBondContact O-N 2.81Å
1394F84.8Confident79.9Confident7 Ų769.2 Ų69.23%0.03138%0.382CS..THydrogen-bonded Turntrans-108.9-11.4-175-56.6-89.5000112.9L1374 R1375 D1377 Y1378 I1389 K1391 S1392L1374-F1394 CarbonylContact C-O 3.57Å; L1374-F1394 VanDerWaalsContact CA-O 3.28Å; L1374-F1394 WeakPolarHBondContact CA-O 3.5Å; L1374-F1394 HydrophobicContact CD2-CB 4.31Å; R1375-F1394 WeakPolarHBondContact CG-O 3.13Å; R1375-F1394 PolarHBondContact N-O 2.74Å; D1377-F1394 WeakPolarHBondContact OD2-CE1 3.44Å; Y1378-F1394 HydrophobicContact CD2-CB 4.16Å; Y1378-F1394 AromaticContact CD2-CD2 3.66Å; Y1378-F1394 HydrophobicContact CD2-CD2 3.66Å; Y1378-F1394 HydrophobicContact CD2-CE2 4.23Å; Y1378-F1394 AromaticContact CD2-CG 3.84Å; Y1378-F1394 HydrophobicContact CD2-CG 3.84Å; Y1378-F1394 HydrophobicContact CG-CB 4.4Å; Y1378-F1394 HydrophobicContact CG-CG 4.28Å; I1389-F1394 HydrophobicContact CG2-CE2 3.89Å; K1391-F1394 CarbonylContact O-C 3.55Å; K1391-F1394 WeakPolarHBondContact O-CA 3.01Å; K1391-F1394 PolarHBondContact O-N 2.89Å; S1392-F1394 PolarHBondContact O-N 3.3Å
1395T84.1Confident79.4Confident55 Ų5573.4 Ų73.434%0.33740%0.403SS..BIsolated β-bridgetrans-66.4156173.3-53.90000112.3W1373 K1391W1373-T1395 CarbonylContact O-C 3.58Å; W1373-T1395 WeakPolarHBondContact O-CA 3.49Å; K1391-T1395 PolarHBondContact O-N 3.18Å; K1391-T1395 PolarHBondContact O-OG1 2.77Å; K1391-T1395 VanDerWaalsContact O-OG1 3.06Å
1396L73.7Confident79.3Confident102 Ų10276.7 Ų76.753%0.53442%0.417SS..  trans-129.50-177.7-62.7171.6000112V1354 I1356 W1373 R1375V1354-L1396 HydrophobicContact CG1-CD1 3.32Å; I1356-L1396 HydrophobicContact CD1-CD1 3.7Å; I1356-L1396 HydrophobicContact CD1-CD2 3.48Å; I1356-L1396 VanDerWaalsContact CD1-CD2 3.48Å; I1356-L1396 HydrophobicContact CD1-CG 4.2Å; I1356-L1396 HydrophobicContact CG1-CD1 4.21Å; W1373-L1396 PolarHBondContact O-N 3.35Å; R1375-L1396 HydrophobicContact CG-CD1 4.05Å; R1375-L1396 HydrophobicContact CG-CD2 3.69Å; R1375-L1396 HydrophobicContact CG-CG 3.95Å

Retrieved 1,396 of 1,396 residues in 3066.9 ms (Link to these results)

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