A0A077ZJ41_TRITR Loading...

glyceraldehyde-3-phosphate dehydrogenase (NADP(+)) (phosphorylating)

AlphaFold DB , UniProt , Accession A0A077ZJ41, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 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
1M76.4Confident95.2Very high230 Ų23038.3 Ų38.3100%1.13321%0.212SC*.  0121.10-165.7-174.3-7400104V3M1-V3 PolarHBondContact O-N 2.86Å
2T91.1Very high95.5Very high58 Ų5839.9 Ų39.936%0.35621%0.213SC..PPolyproline II helixtrans-65.1129.2-172-50.40000110.3D26 D27 E29T2-D26 PolarHBondContact OG1-O 3.19Å; T2-D27 CarbonylContact C-O 3.48Å; T2-D27 VanDerWaalsContact CA-O 3.3Å; T2-D27 WeakPolarHBondContact CA-O 3.45Å; T2-E29 HydrophobicContact CG2-CB 3.91Å; T2-E29 HydrophobicContact CG2-CG 3.69Å
3V93.3Very high95.7Very high22 Ų2239.5 Ų39.513%0.13321%0.21CC..EExtended strand (participates in β ladder)trans-81.7130.3179.31770000109.8M1 D27 I28 E29 D93 I94 A334M1-V3 PolarHBondContact O-N 2.86Å; V3-D27 PolarHBondContact N-O 3.27Å; V3-I28 HydrophobicContact CB-CG2 4.11Å; V3-I28 VanDerWaalsContact O-CA 3.28Å; V3-I28 WeakPolarHBondContact O-CA 3.14Å; V3-E29 PolarHBondContact O-N 3.31Å; V3-D93 HydrophobicContact CG1-CB 3.96Å; V3-I94 HydrophobicContact CG1-CG2 3.77Å; V3-A334 HydrophobicContact CB-CB 3.94Å; V3-A334 HydrophobicContact CG1-CB 3.78Å; V3-A334 HydrophobicContact CG2-CB 3.71Å
4K96.9Very high95.9Very high68 Ų6836.6 Ų36.630%0.29620%0.195SC..EExtended strand (participates in β ladder)trans-93.2118.5-173.6-68-177.4164.6-167.40111.4E29 V31 N90 G91 D93 I94K4-E29 HydrophobicContact CG-CG 4.37Å; K4-V31 HydrophobicContact CB-CG1 3.85Å; K4-V31 HydrophobicContact CB-CG2 3.86Å; K4-V31 HydrophobicContact CD-CG1 3.94Å; K4-V31 HydrophobicContact CG-CG1 3.67Å; K4-V31 HydrophobicContact CG-CG2 4.48Å; K4-N90 WeakPolarHBondContact CD-O 3.37Å; K4-N90 PolarHBondContact NZ-O 3.02Å; K4-N90 VanDerWaalsContact NZ-O 3.15Å; K4-G91 VanDerWaalsContact CB-O 3.27Å; K4-G91 WeakPolarHBondContact CB-O 3.32Å; K4-G91 WeakPolarHBondContact CD-O 3.35Å; K4-D93 PolarHBondContact N-OD2 2.96Å; K4-D93 PolarHBondContact O-N 3.45Å; K4-I94 PolarHBondContact O-N 3.34Å
5V98.1Very high96.1Very high0 Ų035.5 Ų35.50%019%0.187CC..EExtended strand (participates in β ladder)trans-98.6130.4-176.2-1750000110.5I7 I21 I28 E29 V30 V31 I94 L330V5-I7 HydrophobicContact CG1-CG1 4.27Å; V5-I21 HydrophobicContact CG1-CD1 4.35Å; V5-I21 HydrophobicContact CG2-CD1 4.43Å; V5-I28 HydrophobicContact CG2-CB 4.04Å; V5-I28 HydrophobicContact CG2-CD1 4.46Å; V5-I28 HydrophobicContact CG2-CG1 4.2Å; V5-E29 WeakPolarHBondContact CB-O 3.25Å; V5-E29 PolarHBondContact N-O 2.74Å; V5-V30 HydrophobicContact CB-CG2 4.48Å; V5-V30 WeakPolarHBondContact O-CA 3.43Å; V5-V31 PolarHBondContact O-N 2.82Å; V5-I94 WeakPolarHBondContact CA-O 3.21Å; V5-I94 HydrophobicContact CB-CG2 4.39Å; V5-I94 HydrophobicContact CG2-CG2 3.84Å; V5-L330 HydrophobicContact CB-CD2 4.46Å; V5-L330 HydrophobicContact CG1-CD2 3.84Å; V5-L330 HydrophobicContact CG2-CD2 3.71Å
6G98.6Very high96.3Very high0 Ų033.4 Ų33.40%018%0.176CC..EExtended strand (participates in β ladder)trans-100.5132.1162.700000110.7A32 W86 I94 V95 L96G6-A32 WeakPolarHBondContact CA-O 3.41Å; G6-W86 VanDerWaalsContact C-CZ3 3.48Å; G6-I94 PolarHBondContact N-O 2.93Å; G6-V95 VanDerWaalsContact O-CA 3.3Å; G6-V95 WeakPolarHBondContact O-CA 2.88Å; G6-L96 PolarHBondContact O-N 3.27Å
7I98.8Very high96.4Very high0 Ų031.5 Ų31.50%017%0.166CC..EExtended strand (participates in β ladder)trans-105.9114.3174.4-59.1178.8000109.3V5 F10 A17 F18 V30 A32 I33 N34V5-I7 HydrophobicContact CG1-CG1 4.27Å; I7-F10 HydrophobicContact CD1-CE2 4.39Å; I7-F10 HydrophobicContact CG2-CD2 4.15Å; I7-A17 HydrophobicContact CD1-CB 4.37Å; I7-F18 HydrophobicContact CD1-CB 4.14Å; I7-V30 HydrophobicContact CD1-CG1 3.96Å; I7-V30 HydrophobicContact CD1-CG2 3.82Å; I7-V30 HydrophobicContact CG1-CG1 4.12Å; I7-V30 HydrophobicContact CG1-CG2 4.42Å; I7-A32 PolarHBondContact N-O 3.03Å; I7-I33 HydrophobicContact CB-CG1 4.5Å; I7-I33 CarbonylContact O-C 3.5Å; I7-I33 WeakPolarHBondContact O-CA 3.5Å; I7-N34 PolarHBondContact O-N 3.18Å
8N98.9Very high96.5Very high4 Ų429.9 Ų29.92%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-94.4115.7172.5-166.828.2000110N34 W86 V95 L96 E97 C98 T99 H111N8-N34 PolarHBondContact OD1-ND2 3.29Å; N8-W86 HydrophobicContact CB-CH2 4.06Å; N8-V95 HydrophobicContact CB-CG1 4.38Å; N8-L96 PolarHBondContact N-O 3.29Å; N8-E97 PolarHBondContact ND2-OE2 3.44Å; N8-C98 CarbonylContact O-C 3.46Å; N8-C98 WeakPolarHBondContact O-CA 3.32Å; N8-C98 WeakPolarHBondContact O-CB 3.31Å; N8-C98 PolarHBondContact O-N 3.5Å; N8-T99 HydrophobicContact CB-CG2 4.17Å; N8-T99 VanDerWaalsContact CG-CG2 3.47Å; N8-T99 WeakPolarHBondContact ND2-CG2 3.3Å; N8-T99 WeakPolarHBondContact O-CG2 3.28Å; N8-T99 PolarHBondContact O-N 3.4Å; N8-H111 PolarHBondContact ND2-CE1 3.42Å
9G98.5Very high96.6Very high5 Ų529.6 Ų29.65%0.05215%0.154CC..  trans88.7104.1-173.500000112.1G11 N34 C98G9-G11 VanDerWaalsContact C-N 3.27Å; G9-G11 PolarHBondContact O-N 2.67Å; G9-N34 PolarHBondContact N-O 3.21Å; G9-C98 WeakPolarHBondContact O-CB 3.32Å
10F98.7Very high96.7Very high1 Ų129.8 Ų29.80%0.00415%0.152CC..  trans-97.240.6-178.4-145.4-123.8000112.4I7 R15 F18 I33 D35 L42 L46 I66I7-F10 HydrophobicContact CD1-CE2 4.39Å; I7-F10 HydrophobicContact CG2-CD2 4.15Å; F10-R15 HydrophobicContact CD1-CG 3.6Å; F10-R15 HydrophobicContact CD2-CG 4.32Å; F10-R15 HydrophobicContact CE1-CG 3.6Å; F10-R15 HydrophobicContact CE2-CG 4.3Å; F10-R15 HydrophobicContact CG-CG 3.98Å; F10-R15 HydrophobicContact CZ-CG 3.96Å; F10-R15 WeakPolarHBondContact O-CG 3.17Å; F10-R15 PolarHBondContact O-NH1 2.91Å; F10-F18 HydrophobicContact CE2-CB 3.79Å; F10-F18 HydrophobicContact CE2-CD2 4.03Å; F10-F18 HydrophobicContact CE2-CG 4.18Å; F10-F18 HydrophobicContact CZ-CB 3.87Å; F10-F18 AromaticContact CZ-CD2 3.93Å; F10-F18 HydrophobicContact CZ-CD2 3.93Å; F10-F18 AromaticContact CZ-CG 3.94Å; F10-F18 HydrophobicContact CZ-CG 3.94Å; F10-I33 HydrophobicContact CB-CG2 3.73Å; F10-I33 HydrophobicContact CD1-CD1 4.37Å; F10-I33 HydrophobicContact CD1-CG2 4.43Å; F10-I33 HydrophobicContact CD2-CB 4.49Å; F10-I33 HydrophobicContact CD2-CD1 3.87Å; F10-I33 HydrophobicContact CD2-CG1 3.94Å; F10-I33 HydrophobicContact CD2-CG2 3.68Å; F10-I33 HydrophobicContact CE1-CD1 3.97Å; F10-I33 HydrophobicContact CE2-CD1 3.44Å; F10-I33 VanDerWaalsContact CE2-CD1 3.44Å; F10-I33 HydrophobicContact CE2-CG1 3.84Å; F10-I33 HydrophobicContact CE2-CG2 4.4Å; F10-I33 HydrophobicContact CG-CD1 4.33Å; F10-I33 HydrophobicContact CG-CG2 3.71Å; F10-I33 HydrophobicContact CZ-CD1 3.49Å; F10-I33 VanDerWaalsContact CZ-CD1 3.49Å; F10-I33 HydrophobicContact CZ-CG1 4.39Å; F10-D35 HydrophobicContact CB-CB 4.01Å; F10-D35 PolarHBondContact N-OD2 3.39Å; F10-L42 HydrophobicContact CB-CD1 4.17Å; F10-L42 HydrophobicContact CB-CD2 4.03Å; F10-L42 HydrophobicContact CD1-CB 3.98Å; F10-L42 HydrophobicContact CD1-CD1 4.18Å; F10-L42 HydrophobicContact CD1-CD2 4.09Å; F10-L42 HydrophobicContact CD1-CG 4.3Å; F10-L46 HydrophobicContact CE1-CB 4.38Å; F10-L46 HydrophobicContact CE1-CD2 4.29Å; F10-L46 HydrophobicContact CZ-CD1 4.4Å; F10-L46 HydrophobicContact CZ-CD2 4.21Å; F10-I66 HydrophobicContact CE1-CD1 4.05Å; F10-I66 HydrophobicContact CZ-CD1 4.03Å
11G98.1Very high96.7Very high33 Ų3328.5 Ų28.534%0.3415%0.146SC..SBendtrans-69.7-164.417000000112.5G9 I13 G14 R15G9-G11 VanDerWaalsContact C-N 3.27Å; G9-G11 PolarHBondContact O-N 2.67Å; G11-I13 PolarHBondContact O-N 2.76Å; G11-G14 PolarHBondContact O-N 3.13Å; G11-R15 VanDerWaalsContact C-NH1 3.25Å; G11-R15 WeakPolarHBondContact O-CG 3.25Å; G11-R15 PolarHBondContact O-N 3.29Å; G11-R15 PolarHBondContact O-NH1 3.07Å
12R98.3Very high97.6Very high58 Ų5821.6 Ų21.622%0.21911%0.11CC..Hα-helixtrans-54.7-54.6-178.3-64.5-166.464.667.75.9111.8G14 R15 L16 D49 T51 E319R12-G14 PolarHBondContact O-N 3.38Å; R12-R15 PolarHBondContact O-N 3.12Å; R12-L16 WeakPolarHBondContact O-CG 3.31Å; R12-L16 PolarHBondContact O-N 3.45Å; R12-D49 IonicContact CZ-OD1 2.68Å; R12-D49 IonicContact CZ-OD2 3.37Å; R12-D49 IonicContact NH1-OD1 3.87Å; R12-D49 IonicContact NH1-OD2 3.98Å; R12-D49 PolarHBondContact NH1-OD2 3.15Å; R12-D49 IonicContact NH2-OD1 3.54Å; R12-D49 PolarHBondContact NH2-OD1 2.83Å; R12-D49 IonicContact NH2-OD2 3.67Å; R12-D49 PolarHBondContact NH2-OD2 2.92Å; R12-T51 PolarHBondContact NH2-OG1 2.98Å; R12-E319 WeakPolarHBondContact CD-OE1 3.23Å; R12-E319 IonicContact CZ-OE1 3.12Å; R12-E319 IonicContact CZ-OE2 3.43Å; R12-E319 IonicContact NE-OE1 2.8Å; R12-E319 PolarHBondContact NE-OE1 2.72Å; R12-E319 IonicContact NE-OE2 2.78Å; R12-E319 PolarHBondContact NE-OE2 2.99Å; R12-E319 IonicContact NH2-OE1 2.91Å; R12-E319 IonicContact NH2-OE2 3.32Å; R12-E319 PolarHBondContact NH2-OE2 3.05Å
13I98.5Very high97.7Very high34 Ų3424.4 Ų24.417%0.17412%0.119CC..Hα-helixtrans-61.8-44.7179.9-59.1-55.7000112.4G11 R15 L16 A17 E319 F322 M326G11-I13 PolarHBondContact O-N 2.76Å; I13-R15 VanDerWaalsContact C-N 3.34Å; I13-R15 PolarHBondContact O-N 3.05Å; I13-L16 PolarHBondContact O-N 2.62Å; I13-A17 VanDerWaalsContact O-CB 3.31Å; I13-A17 WeakPolarHBondContact O-CB 3.29Å; I13-A17 PolarHBondContact O-N 3.14Å; I13-E319 HydrophobicContact CD1-CB 4.38Å; I13-F322 HydrophobicContact CD1-CD1 4.13Å; I13-M326 HydrophobicContact CG2-CE 3.19Å
14G98.6Very high97.5Very high0 Ų026.4 Ų26.40%013%0.131CC..Hα-helixtrans-61.2-39.3177.900000113.2G11 R12 A17 F18G11-G14 PolarHBondContact O-N 3.13Å; R12-G14 PolarHBondContact O-N 3.38Å; G14-A17 PolarHBondContact O-N 2.91Å; G14-F18 PolarHBondContact O-N 3.48Å
15R98.8Very high96.9Very high19 Ų1924 Ų247%0.07212%0.122CC..Hα-helixtrans-70.1-41.4175.7-69.1-167.8-52.2-86.13.5112.7F10 G11 R12 I13 A17 F18 R19 L45 L46F10-R15 HydrophobicContact CD1-CG 3.6Å; F10-R15 HydrophobicContact CD2-CG 4.32Å; F10-R15 HydrophobicContact CE1-CG 3.6Å; F10-R15 HydrophobicContact CE2-CG 4.3Å; F10-R15 HydrophobicContact CG-CG 3.98Å; F10-R15 HydrophobicContact CZ-CG 3.96Å; F10-R15 WeakPolarHBondContact O-CG 3.17Å; F10-R15 PolarHBondContact O-NH1 2.91Å; G11-R15 VanDerWaalsContact C-NH1 3.25Å; G11-R15 WeakPolarHBondContact O-CG 3.25Å; G11-R15 PolarHBondContact O-N 3.29Å; G11-R15 PolarHBondContact O-NH1 3.07Å; R12-R15 PolarHBondContact O-N 3.12Å; I13-R15 VanDerWaalsContact C-N 3.34Å; I13-R15 PolarHBondContact O-N 3.05Å; R15-A17 VanDerWaalsContact C-N 3.31Å; R15-F18 WeakPolarHBondContact O-CB 3.48Å; R15-F18 PolarHBondContact O-N 3.31Å; R15-R19 WeakPolarHBondContact O-CG 3.12Å; R15-R19 PolarHBondContact O-N 3.12Å; R15-L45 PolarHBondContact NE-O 3.01Å; R15-L45 VanDerWaalsContact NE-O 3.13Å; R15-L46 HydrophobicContact CB-CD1 4.14Å; R15-L46 HydrophobicContact CG-CD1 4.47Å
16L98.7Very high96.4Very high3 Ų331.2 Ų31.22%0.01616%0.161CC..Hα-helixtrans-65.3-38.1175.4-66.2177.1000111.1R12 I13 F18 R19 R20 H52 E319 Y320 T323R12-L16 WeakPolarHBondContact O-CG 3.31Å; R12-L16 PolarHBondContact O-N 3.45Å; I13-L16 PolarHBondContact O-N 2.62Å; L16-F18 VanDerWaalsContact C-N 3.34Å; L16-R19 PolarHBondContact O-N 2.98Å; L16-R20 WeakPolarHBondContact O-CB 3.41Å; L16-R20 PolarHBondContact O-N 3.19Å; L16-H52 HydrophobicContact CD2-CB 4.03Å; L16-E319 HydrophobicContact CD1-CB 3.59Å; L16-Y320 HydrophobicContact CB-CD2 4.23Å; L16-Y320 HydrophobicContact CD1-CD2 4.31Å; L16-Y320 HydrophobicContact CD2-CD2 4Å; L16-Y320 HydrophobicContact CD2-CE2 4.38Å; L16-Y320 HydrophobicContact CG-CD2 4.39Å; L16-T323 VanDerWaalsContact C-CG2 3.49Å; L16-T323 HydrophobicContact CB-CG2 3.9Å
17A98.6Very high95.9Very high0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-60.5-45.717400000110.8I7 I13 G14 R15 R20 I21 L96 T323 I327I7-A17 HydrophobicContact CD1-CB 4.37Å; I13-A17 VanDerWaalsContact O-CB 3.31Å; I13-A17 WeakPolarHBondContact O-CB 3.29Å; I13-A17 PolarHBondContact O-N 3.14Å; G14-A17 PolarHBondContact O-N 2.91Å; R15-A17 VanDerWaalsContact C-N 3.31Å; A17-R20 PolarHBondContact O-N 2.93Å; A17-I21 WeakPolarHBondContact O-CB 3.4Å; A17-I21 VanDerWaalsContact O-CG1 3.27Å; A17-I21 WeakPolarHBondContact O-CG1 3.32Å; A17-I21 PolarHBondContact O-N 3.23Å; A17-L96 HydrophobicContact CB-CD2 3.43Å; A17-L96 VanDerWaalsContact CB-CD2 3.43Å; A17-T323 VanDerWaalsContact CA-CG2 3.45Å; A17-T323 HydrophobicContact CB-CG2 4Å; A17-T323 VanDerWaalsContact N-CG2 3.31Å; A17-I327 HydrophobicContact CB-CD1 4.03Å
18F98.5Very high95.7Very high4 Ų436.2 Ų36.22%0.01819%0.188CC..Hα-helixtrans-56.7-51.9173.1-172.6-74000111.8I7 F10 G14 R15 L16 R20 I21 K22 V30 I33 L46 I66 V68 T73I7-F18 HydrophobicContact CD1-CB 4.14Å; F10-F18 HydrophobicContact CE2-CB 3.79Å; F10-F18 HydrophobicContact CE2-CD2 4.03Å; F10-F18 HydrophobicContact CE2-CG 4.18Å; F10-F18 HydrophobicContact CZ-CB 3.87Å; F10-F18 AromaticContact CZ-CD2 3.93Å; F10-F18 HydrophobicContact CZ-CD2 3.93Å; F10-F18 AromaticContact CZ-CG 3.94Å; F10-F18 HydrophobicContact CZ-CG 3.94Å; G14-F18 PolarHBondContact O-N 3.48Å; R15-F18 WeakPolarHBondContact O-CB 3.48Å; R15-F18 PolarHBondContact O-N 3.31Å; L16-F18 VanDerWaalsContact C-N 3.34Å; F18-R20 VanDerWaalsContact C-N 3.3Å; F18-R20 PolarHBondContact O-N 3.17Å; F18-I21 PolarHBondContact O-N 3.12Å; F18-K22 HydrophobicContact CE1-CG 4.07Å; F18-K22 PolarHBondContact O-N 3.42Å; F18-K22 VanDerWaalsContact O-N 3.1Å; F18-V30 HydrophobicContact CD2-CB 3.92Å; F18-V30 HydrophobicContact CD2-CG1 3.8Å; F18-V30 HydrophobicContact CD2-CG2 4.06Å; F18-V30 HydrophobicContact CE2-CB 3.96Å; F18-V30 HydrophobicContact CE2-CG1 3.97Å; F18-I33 HydrophobicContact CD2-CD1 4.08Å; F18-I33 HydrophobicContact CE2-CD1 4.19Å; F18-L46 HydrophobicContact CD1-CD1 4.19Å; F18-L46 HydrophobicContact CD1-CD2 3.95Å; F18-L46 HydrophobicContact CE1-CD2 4.04Å; F18-I66 HydrophobicContact CE2-CD1 4.04Å; F18-I66 HydrophobicContact CZ-CD1 4.25Å; F18-V68 HydrophobicContact CE1-CB 4.17Å; F18-V68 HydrophobicContact CE1-CG1 4.14Å; F18-V68 HydrophobicContact CE1-CG2 3.75Å; F18-V68 HydrophobicContact CZ-CB 4.2Å; F18-V68 HydrophobicContact CZ-CG2 3.73Å; F18-T73 HydrophobicContact CE2-CG2 4.31Å
19R98Very high95.6Very high24 Ų2439.9 Ų39.99%0.09121%0.205CC..Hα-helixtrans-56.5-46.1178.7-72.8-169.5176.5-170.54.2111.1R15 L16 K22 E23 L46 Q47 H52 G53 Y55R15-R19 WeakPolarHBondContact O-CG 3.12Å; R15-R19 PolarHBondContact O-N 3.12Å; L16-R19 PolarHBondContact O-N 2.98Å; R19-K22 PolarHBondContact O-N 3.04Å; R19-E23 WeakPolarHBondContact O-CB 3.22Å; R19-E23 PolarHBondContact O-N 2.87Å; R19-E23 VanDerWaalsContact O-N 3.1Å; R19-L46 HydrophobicContact CG-CD1 3.73Å; R19-L46 PolarHBondContact NE-O 2.99Å; R19-L46 PolarHBondContact NH2-O 3.48Å; R19-Q47 PolarHBondContact NH2-O 2.87Å; R19-H52 PolarHBondContact NH1-O 3.36Å; R19-G53 PolarHBondContact NH1-O 3.01Å; R19-G53 VanDerWaalsContact NH1-O 3.12Å; R19-G53 PolarHBondContact NH2-O 2.63Å; R19-Y55 HydrophobicContact CG-CD2 3.92Å; R19-Y55 HydrophobicContact CG-CE2 4.34Å
20R97.8Very high95.6Very high32 Ų3240.6 Ų40.612%0.12121%0.208CC..Hα-helixtrans-66.1-46.2-177.7-177.258.3179.9176.61.8112L16 A17 F18 K22 E23 V24 T323 I327L16-R20 WeakPolarHBondContact O-CB 3.41Å; L16-R20 PolarHBondContact O-N 3.19Å; A17-R20 PolarHBondContact O-N 2.93Å; F18-R20 VanDerWaalsContact C-N 3.3Å; F18-R20 PolarHBondContact O-N 3.17Å; R20-K22 VanDerWaalsContact C-N 3.29Å; R20-K22 PolarHBondContact O-N 3.44Å; R20-E23 IonicContact CZ-OE2 3.75Å; R20-E23 IonicContact NH1-OE1 3.27Å; R20-E23 PolarHBondContact NH1-OE1 3.12Å; R20-E23 VanDerWaalsContact NH1-OE1 3.12Å; R20-E23 IonicContact NH1-OE2 2.83Å; R20-E23 PolarHBondContact NH1-OE2 2.89Å; R20-E23 WeakPolarHBondContact O-CB 3.47Å; R20-E23 PolarHBondContact O-N 2.98Å; R20-E23 VanDerWaalsContact O-N 3.1Å; R20-V24 HydrophobicContact CG-CG2 4.4Å; R20-V24 VanDerWaalsContact NH1-CG1 3.26Å; R20-V24 WeakPolarHBondContact O-CG2 3.45Å; R20-V24 PolarHBondContact O-N 3.11Å; R20-T323 HydrophobicContact CB-CG2 4.42Å; R20-I327 HydrophobicContact CB-CG1 4.06Å; R20-I327 HydrophobicContact CG-CB 4.22Å; R20-I327 HydrophobicContact CG-CG1 3.77Å; R20-I327 HydrophobicContact CG-CG2 4.37Å
21I97Very high95.5Very high4 Ų441.4 Ų41.42%0.02121%0.213CC..Hα-helixtrans-57.1-46.8177.2-69.4171.8000110.3V5 A17 F18 E23 V24 S25 I28 V30 I327 L330V5-I21 HydrophobicContact CG1-CD1 4.35Å; V5-I21 HydrophobicContact CG2-CD1 4.43Å; A17-I21 WeakPolarHBondContact O-CB 3.4Å; A17-I21 VanDerWaalsContact O-CG1 3.27Å; A17-I21 WeakPolarHBondContact O-CG1 3.32Å; A17-I21 PolarHBondContact O-N 3.23Å; F18-I21 PolarHBondContact O-N 3.12Å; I21-E23 PolarHBondContact O-N 2.9Å; I21-V24 PolarHBondContact O-N 3.48Å; I21-S25 PolarHBondContact O-N 2.96Å; I21-S25 VanDerWaalsContact O-N 3.12Å; I21-I28 HydrophobicContact CD1-CD1 4.2Å; I21-I28 HydrophobicContact CD1-CG1 4.37Å; I21-I28 HydrophobicContact CG1-CD1 4.01Å; I21-I28 HydrophobicContact CG1-CG1 4.18Å; I21-I28 HydrophobicContact CG2-CG1 3.78Å; I21-I28 WeakPolarHBondContact CG2-O 3.48Å; I21-V30 HydrophobicContact CB-CG2 4.23Å; I21-V30 HydrophobicContact CD1-CG2 3.61Å; I21-V30 HydrophobicContact CG2-CG2 4.1Å; I21-I327 HydrophobicContact CD1-CD1 3.8Å; I21-I327 HydrophobicContact CG1-CD1 3.63Å; I21-I327 HydrophobicContact CG1-CG1 4.18Å; I21-I327 HydrophobicContact CG1-CG2 4.22Å; I21-L330 HydrophobicContact CD1-CD2 4.18Å
22K95Very high95.5Very high85 Ų8539.9 Ų39.937%0.3720%0.197SC..Hα-helixtrans-63.5-27.2178.4-102.9-69.1175.1-172.40114.2F18 R19 R20 E71F18-K22 HydrophobicContact CE1-CG 4.07Å; F18-K22 PolarHBondContact O-N 3.42Å; F18-K22 VanDerWaalsContact O-N 3.1Å; R19-K22 PolarHBondContact O-N 3.04Å; R20-K22 VanDerWaalsContact C-N 3.29Å; R20-K22 PolarHBondContact O-N 3.44Å; K22-E71 VanDerWaalsContact CE-OE2 3.24Å; K22-E71 WeakPolarHBondContact CE-OE2 3.43Å; K22-E71 IonicContact NZ-OE1 2.76Å; K22-E71 PolarHBondContact NZ-OE1 3.41Å; K22-E71 IonicContact NZ-OE2 2.9Å; K22-E71 PolarHBondContact NZ-OE2 3.46Å
23E93.4Very high95.6Very high117 Ų11737.1 Ų37.155%0.54719%0.187SC..Hα-helixtrans-78.6-39-179-173.7-159.916100112.4R19 R20 I21 Y320R19-E23 WeakPolarHBondContact O-CB 3.22Å; R19-E23 PolarHBondContact O-N 2.87Å; R19-E23 VanDerWaalsContact O-N 3.1Å; R20-E23 IonicContact CZ-OE2 3.75Å; R20-E23 IonicContact NH1-OE1 3.27Å; R20-E23 PolarHBondContact NH1-OE1 3.12Å; R20-E23 VanDerWaalsContact NH1-OE1 3.12Å; R20-E23 IonicContact NH1-OE2 2.83Å; R20-E23 PolarHBondContact NH1-OE2 2.89Å; R20-E23 WeakPolarHBondContact O-CB 3.47Å; R20-E23 PolarHBondContact O-N 2.98Å; R20-E23 VanDerWaalsContact O-N 3.1Å; I21-E23 PolarHBondContact O-N 2.9Å; E23-Y320 PolarHBondContact OE2-OH 2.84Å
24V90.7Very high95.6Very high64 Ų6435.8 Ų35.839%0.38818%0.18SC..Hα-helixtrans-126.6-11.2-162.4-550000117R20 I21R20-V24 HydrophobicContact CG-CG2 4.4Å; R20-V24 VanDerWaalsContact NH1-CG1 3.26Å; R20-V24 WeakPolarHBondContact O-CG2 3.45Å; R20-V24 PolarHBondContact O-N 3.11Å; I21-V24 PolarHBondContact O-N 3.48Å
25S84.1Confident95.6Very high17 Ų1737 Ų3712%0.11919%0.186CC..  trans-116124.4-170.5-151.20000112.3I21 I28 E331I21-S25 PolarHBondContact O-N 2.96Å; I21-S25 VanDerWaalsContact O-N 3.12Å; S25-I28 PolarHBondContact OG-N 3.35Å; S25-E331 WeakPolarHBondContact CB-OE1 3.5Å; S25-E331 PolarHBondContact OG-OE1 2.88Å
26D87.4Confident95.5Very high152 Ų15241.7 Ų41.781%0.81321%0.212SC*.SBendtrans-95.2-15.4162.8-66.6-41.5000111.3T2T2-D26 PolarHBondContact OG1-O 3.19Å
27D88.5Confident95.5Very high103 Ų10344.4 Ų44.455%0.55123%0.229SC*.SBendtrans-89.6-23.6-175.1-72.9-35000112.8T2 V3T2-D27 CarbonylContact C-O 3.48Å; T2-D27 VanDerWaalsContact CA-O 3.3Å; T2-D27 WeakPolarHBondContact CA-O 3.45Å; V3-D27 PolarHBondContact N-O 3.27Å
28I94Very high95.4Very high2 Ų247.5 Ų47.51%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-130.3145.1174.384.8-162.9000111.3V3 V5 I21 S25 I327 L330 E331 A334V3-I28 HydrophobicContact CB-CG2 4.11Å; V3-I28 VanDerWaalsContact O-CA 3.28Å; V3-I28 WeakPolarHBondContact O-CA 3.14Å; V5-I28 HydrophobicContact CG2-CB 4.04Å; V5-I28 HydrophobicContact CG2-CD1 4.46Å; V5-I28 HydrophobicContact CG2-CG1 4.2Å; I21-I28 HydrophobicContact CD1-CD1 4.2Å; I21-I28 HydrophobicContact CD1-CG1 4.37Å; I21-I28 HydrophobicContact CG1-CD1 4.01Å; I21-I28 HydrophobicContact CG1-CG1 4.18Å; I21-I28 HydrophobicContact CG2-CG1 3.78Å; I21-I28 WeakPolarHBondContact CG2-O 3.48Å; S25-I28 PolarHBondContact OG-N 3.35Å; I28-I327 HydrophobicContact CD1-CG2 4.14Å; I28-L330 HydrophobicContact CD1-CB 4.47Å; I28-L330 HydrophobicContact CD1-CD2 3.84Å; I28-L330 HydrophobicContact CD1-CG 4.32Å; I28-E331 HydrophobicContact CD1-CG 3.69Å; I28-E331 HydrophobicContact CG2-CG 4.12Å; I28-A334 HydrophobicContact CG2-CB 4.45Å
29E96.2Very high95.4Very high81 Ų8148.1 Ų48.138%0.37926%0.255SS..EExtended strand (participates in β ladder)trans-135.8145.3178.766.8175.1164.300111.4T2 V3 K4 V5 V31T2-E29 HydrophobicContact CG2-CB 3.91Å; T2-E29 HydrophobicContact CG2-CG 3.69Å; V3-E29 PolarHBondContact O-N 3.31Å; K4-E29 HydrophobicContact CG-CG 4.37Å; V5-E29 WeakPolarHBondContact CB-O 3.25Å; V5-E29 PolarHBondContact N-O 2.74Å; E29-V31 HydrophobicContact CG-CG1 3.73Å; E29-V31 PolarHBondContact O-N 2.86Å
30V98Very high95.5Very high19 Ų1951.6 Ų51.612%0.11528%0.279CS..EExtended strand (participates in β ladder)trans-85.6110.6173.6-175.80000109.7V5 I7 F18 I21 I33 T73V5-V30 HydrophobicContact CB-CG2 4.48Å; V5-V30 WeakPolarHBondContact O-CA 3.43Å; I7-V30 HydrophobicContact CD1-CG1 3.96Å; I7-V30 HydrophobicContact CD1-CG2 3.82Å; I7-V30 HydrophobicContact CG1-CG1 4.12Å; I7-V30 HydrophobicContact CG1-CG2 4.42Å; F18-V30 HydrophobicContact CD2-CB 3.92Å; F18-V30 HydrophobicContact CD2-CG1 3.8Å; F18-V30 HydrophobicContact CD2-CG2 4.06Å; F18-V30 HydrophobicContact CE2-CB 3.96Å; F18-V30 HydrophobicContact CE2-CG1 3.97Å; I21-V30 HydrophobicContact CB-CG2 4.23Å; I21-V30 HydrophobicContact CD1-CG2 3.61Å; I21-V30 HydrophobicContact CG2-CG2 4.1Å; V30-I33 HydrophobicContact CG1-CG1 4.29Å; V30-T73 HydrophobicContact CG1-CG2 4.23Å
31V97.7Very high95.5Very high19 Ų1954.8 Ų54.812%0.11530%0.296CS..EExtended strand (participates in β ladder)trans-98.5-20.1-178-59.10000113.6K4 V5 E29 N90 V92K4-V31 HydrophobicContact CB-CG1 3.85Å; K4-V31 HydrophobicContact CB-CG2 3.86Å; K4-V31 HydrophobicContact CD-CG1 3.94Å; K4-V31 HydrophobicContact CG-CG1 3.67Å; K4-V31 HydrophobicContact CG-CG2 4.48Å; V5-V31 PolarHBondContact O-N 2.82Å; E29-V31 HydrophobicContact CG-CG1 3.73Å; E29-V31 PolarHBondContact O-N 2.86Å; V31-N90 HydrophobicContact CB-CB 4.13Å; V31-N90 HydrophobicContact CG2-CB 3.78Å; V31-V92 HydrophobicContact CG2-CG2 3.54Å
32A98.5Very high95.6Very high0 Ų054.7 Ų54.70%030%0.296CS..EExtended strand (participates in β ladder)trans-156.4150.2-178.400000112.2G6 I7 Y76 W86 N90 V92G6-A32 WeakPolarHBondContact CA-O 3.41Å; I7-A32 PolarHBondContact N-O 3.03Å; A32-Y76 HydrophobicContact CB-CD2 4.26Å; A32-Y76 HydrophobicContact CB-CE2 3.9Å; A32-W86 HydrophobicContact CB-CB 3.97Å; A32-W86 HydrophobicContact CB-CE3 3.91Å; A32-N90 HydrophobicContact CB-CB 4.24Å; A32-V92 HydrophobicContact CB-CG2 4.18Å
33I98.9Very high95.8Very high0 Ų050.9 Ų50.90%028%0.281CS..EExtended strand (participates in β ladder)trans-123.5147.3173.8-66158.1000107.8I7 F10 F18 V30 I66 T73 R74 V75 Y76I7-I33 HydrophobicContact CB-CG1 4.5Å; I7-I33 CarbonylContact O-C 3.5Å; I7-I33 WeakPolarHBondContact O-CA 3.5Å; F10-I33 HydrophobicContact CB-CG2 3.73Å; F10-I33 HydrophobicContact CD1-CD1 4.37Å; F10-I33 HydrophobicContact CD1-CG2 4.43Å; F10-I33 HydrophobicContact CD2-CB 4.49Å; F10-I33 HydrophobicContact CD2-CD1 3.87Å; F10-I33 HydrophobicContact CD2-CG1 3.94Å; F10-I33 HydrophobicContact CD2-CG2 3.68Å; F10-I33 HydrophobicContact CE1-CD1 3.97Å; F10-I33 HydrophobicContact CE2-CD1 3.44Å; F10-I33 VanDerWaalsContact CE2-CD1 3.44Å; F10-I33 HydrophobicContact CE2-CG1 3.84Å; F10-I33 HydrophobicContact CE2-CG2 4.4Å; F10-I33 HydrophobicContact CG-CD1 4.33Å; F10-I33 HydrophobicContact CG-CG2 3.71Å; F10-I33 HydrophobicContact CZ-CD1 3.49Å; F10-I33 VanDerWaalsContact CZ-CD1 3.49Å; F10-I33 HydrophobicContact CZ-CG1 4.39Å; F18-I33 HydrophobicContact CD2-CD1 4.08Å; F18-I33 HydrophobicContact CE2-CD1 4.19Å; V30-I33 HydrophobicContact CG1-CG1 4.29Å; I33-I66 HydrophobicContact CD1-CD1 3.4Å; I33-I66 HydrophobicContact CD1-CG1 4.05Å; I33-T73 HydrophobicContact CD1-CG2 3.94Å; I33-T73 HydrophobicContact CG1-CG2 4.12Å; I33-R74 PolarHBondContact N-O 2.99Å; I33-V75 HydrophobicContact CB-CG2 4.31Å; I33-V75 HydrophobicContact CG2-CG1 4.47Å; I33-V75 CarbonylContact O-C 3.59Å; I33-V75 WeakPolarHBondContact O-CA 3.4Å; I33-Y76 PolarHBondContact O-N 3.41Å
34N98.9Very high96Very high6 Ų650.7 Ų50.73%0.03228%0.279CS..EExtended strand (participates in β ladder)trans-122.8123.3165-176.770.1000110I7 N8 G9 Y76 A77 E78 I84 W86I7-N34 PolarHBondContact O-N 3.18Å; N8-N34 PolarHBondContact OD1-ND2 3.29Å; G9-N34 PolarHBondContact N-O 3.21Å; N34-Y76 CarbonylContact C-O 3.41Å; N34-Y76 WeakPolarHBondContact CA-O 3.38Å; N34-Y76 VanDerWaalsContact OD1-C 3.24Å; N34-Y76 VanDerWaalsContact OD1-CB 3.27Å; N34-Y76 WeakPolarHBondContact OD1-CB 3.14Å; N34-Y76 PolarHBondContact OD1-O 2.82Å; N34-A77 PolarHBondContact OD1-N 3.4Å; N34-E78 PolarHBondContact ND2-O 2.9Å; N34-E78 PolarHBondContact OD1-N 3.28Å; N34-I84 HydrophobicContact CB-CD1 3.87Å; N34-I84 HydrophobicContact CB-CG1 4.44Å; N34-I84 HydrophobicContact CB-CG2 4.42Å; N34-W86 HydrophobicContact CB-CZ3 4.42Å
35D98.6Very high96.4Very high26 Ų2650.7 Ų50.714%0.13928%0.277CS..  trans-158.1150.8173.7-160.9-80.5000110.4F10 T37 L42 Y76 A77F10-D35 HydrophobicContact CB-CB 4.01Å; F10-D35 PolarHBondContact N-OD2 3.39Å; D35-T37 VanDerWaalsContact C-N 3.29Å; D35-T37 WeakPolarHBondContact OD1-CB 3.45Å; D35-T37 PolarHBondContact OD1-N 2.85Å; D35-T37 PolarHBondContact OD1-OG1 2.92Å; D35-L42 HydrophobicContact CB-CD1 3.83Å; D35-Y76 PolarHBondContact N-O 3.42Å; D35-A77 WeakPolarHBondContact O-CA 3.42Å; D35-A77 WeakPolarHBondContact O-CB 3.25Å
36L97.7Very high97.1Very high118 Ų11849.9 Ų49.962%0.61827%0.271SS*.SBendtrans-83-9.3-179.1-53.9-177.4000112.9P79L36-P79 HydrophobicContact CD2-CB 4.41Å; L36-P79 HydrophobicContact CD2-CG 3.95Å
37T97.6Very high97.7Very high59 Ų5943.8 Ų43.836%0.36224%0.238SC..SBendtrans-80147.3178.7-51.80000110.7D35 M41 L42D35-T37 VanDerWaalsContact C-N 3.29Å; D35-T37 WeakPolarHBondContact OD1-CB 3.45Å; D35-T37 PolarHBondContact OD1-N 2.85Å; D35-T37 PolarHBondContact OD1-OG1 2.92Å; T37-M41 HydrophobicContact CG2-CB 3.74Å; T37-M41 HydrophobicContact CG2-CG 3.63Å; T37-L42 HydrophobicContact CG2-CD2 3.87Å; T37-L42 HydrophobicContact CG2-CG 4.12Å
38S98.1Very high98.2Very high65 Ų6544 Ų4446%0.45523%0.234SC..  trans-61.5142.4179.466.10000112.4T40 M41 L42S38-T40 PolarHBondContact O-N 3.37Å; S38-M41 PolarHBondContact O-N 2.65Å; S38-L42 PolarHBondContact O-N 2.95Å
39P98.7Very high98.4Very high17 Ų1744.8 Ų44.811%0.1124%0.238CC..Hα-helixtrans-57.2-34.4179.3-28.737000113.7M41 L42 A43 A61 E63 S65 V75P39-M41 PolarHBondContact O-N 3.33Å; P39-L42 PolarHBondContact O-N 3.36Å; P39-A43 VanDerWaalsContact O-CB 3.24Å; P39-A43 WeakPolarHBondContact O-CB 3.47Å; P39-A43 PolarHBondContact O-N 3.11Å; P39-A61 HydrophobicContact CB-CB 4.25Å; P39-E63 WeakPolarHBondContact CG-O 3.04Å; P39-S65 WeakPolarHBondContact CB-O 3.36Å; P39-V75 HydrophobicContact CB-CG2 4.44Å; P39-V75 HydrophobicContact CG-CB 4.06Å; P39-V75 HydrophobicContact CG-CG1 4.19Å; P39-V75 HydrophobicContact CG-CG2 4.47Å
40T98.7Very high98.5Very high97 Ų9747.2 Ų47.260%0.59527%0.265SS*.Hα-helixtrans-59.1-44174.4-52.80000112.5S38 Q44S38-T40 PolarHBondContact O-N 3.37Å; T40-Q44 WeakPolarHBondContact O-CB 3.46Å; T40-Q44 PolarHBondContact O-N 3.37Å; T40-Q44 VanDerWaalsContact O-N 3.07Å
41M98.7Very high98.5Very high99 Ų9947.8 Ų47.849%0.48827%0.268SS..Hα-helixtrans-69.7-42.6177.8178.771.474.300110.8T37 S38 P39 A43 Q44 L45T37-M41 HydrophobicContact CG2-CB 3.74Å; T37-M41 HydrophobicContact CG2-CG 3.63Å; S38-M41 PolarHBondContact O-N 2.65Å; P39-M41 PolarHBondContact O-N 3.33Å; M41-A43 PolarHBondContact O-N 2.98Å; M41-Q44 WeakPolarHBondContact O-CB 3.15Å; M41-Q44 PolarHBondContact O-N 2.66Å; M41-L45 HydrophobicContact CG-CD1 4.11Å; M41-L45 VanDerWaalsContact O-CG 3.32Å; M41-L45 WeakPolarHBondContact O-CG 3.34Å; M41-L45 PolarHBondContact O-N 3.49Å; M41-L45 HydrophobicContact SD-CD1 4.46Å
42L98.8Very high98.6Very high3 Ų348.4 Ų48.42%0.01627%0.27CS..Hα-helixtrans-61.6-43.5177-66.6-177.6000112.4F10 D35 T37 S38 P39 L45 L46 V75F10-L42 HydrophobicContact CB-CD1 4.17Å; F10-L42 HydrophobicContact CB-CD2 4.03Å; F10-L42 HydrophobicContact CD1-CB 3.98Å; F10-L42 HydrophobicContact CD1-CD1 4.18Å; F10-L42 HydrophobicContact CD1-CD2 4.09Å; F10-L42 HydrophobicContact CD1-CG 4.3Å; D35-L42 HydrophobicContact CB-CD1 3.83Å; T37-L42 HydrophobicContact CG2-CD2 3.87Å; T37-L42 HydrophobicContact CG2-CG 4.12Å; S38-L42 PolarHBondContact O-N 2.95Å; P39-L42 PolarHBondContact O-N 3.36Å; L42-L45 PolarHBondContact O-N 3.07Å; L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 PolarHBondContact O-N 3.39Å; L42-V75 HydrophobicContact CD1-CG1 3.77Å
43A98.8Very high98.6Very high5 Ų550 Ų504%0.04129%0.286CS..Hα-helixtrans-59.8-45.5174.400000111.6P39 M41 L45 L46 Q47 V59 A61 I66P39-A43 VanDerWaalsContact O-CB 3.24Å; P39-A43 WeakPolarHBondContact O-CB 3.47Å; P39-A43 PolarHBondContact O-N 3.11Å; M41-A43 PolarHBondContact O-N 2.98Å; A43-L45 PolarHBondContact O-N 2.99Å; A43-L46 PolarHBondContact O-N 2.82Å; A43-Q47 WeakPolarHBondContact O-CB 3.31Å; A43-Q47 PolarHBondContact O-N 3.06Å; A43-V59 HydrophobicContact CB-CG1 3.81Å; A43-V59 WeakPolarHBondContact O-CG1 3.05Å; A43-A61 HydrophobicContact CB-CB 3.86Å; A43-I66 HydrophobicContact CB-CG2 4.05Å
44Q98.8Very high98.6Very high112 Ų11254.2 Ų54.252%0.52331%0.312SS..Hα-helixtrans-58.5-46.5176.1-176.7740.200111.7T40 M41 L46 Q47 F48T40-Q44 WeakPolarHBondContact O-CB 3.46Å; T40-Q44 PolarHBondContact O-N 3.37Å; T40-Q44 VanDerWaalsContact O-N 3.07Å; M41-Q44 WeakPolarHBondContact O-CB 3.15Å; M41-Q44 PolarHBondContact O-N 2.66Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 2.73Å; Q44-Q47 PolarHBondContact O-N 3.41Å; Q44-F48 PolarHBondContact O-N 3.35Å
45L98.8Very high98.5Very high64 Ų6454.9 Ų54.934%0.33531%0.314SS..Hα-helixtrans-72.9-21.6179.7-65.5174000113.4R15 M41 L42 A43R15-L45 PolarHBondContact NE-O 3.01Å; R15-L45 VanDerWaalsContact NE-O 3.13Å; M41-L45 HydrophobicContact CG-CD1 4.11Å; M41-L45 VanDerWaalsContact O-CG 3.32Å; M41-L45 WeakPolarHBondContact O-CG 3.34Å; M41-L45 PolarHBondContact O-N 3.49Å; M41-L45 HydrophobicContact SD-CD1 4.46Å; L42-L45 PolarHBondContact O-N 3.07Å; A43-L45 PolarHBondContact O-N 2.99Å
46L98.8Very high98.4Very high0 Ų059.9 Ų59.90%035%0.348CS..Hα-helixtrans-79.8-38.3171-179.164.4000110.9F10 R15 F18 R19 L42 A43 Q44 V59 I66 V68F10-L46 HydrophobicContact CE1-CB 4.38Å; F10-L46 HydrophobicContact CE1-CD2 4.29Å; F10-L46 HydrophobicContact CZ-CD1 4.4Å; F10-L46 HydrophobicContact CZ-CD2 4.21Å; R15-L46 HydrophobicContact CB-CD1 4.14Å; R15-L46 HydrophobicContact CG-CD1 4.47Å; F18-L46 HydrophobicContact CD1-CD1 4.19Å; F18-L46 HydrophobicContact CD1-CD2 3.95Å; F18-L46 HydrophobicContact CE1-CD2 4.04Å; R19-L46 HydrophobicContact CG-CD1 3.73Å; R19-L46 PolarHBondContact NE-O 2.99Å; R19-L46 PolarHBondContact NH2-O 3.48Å; L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 PolarHBondContact O-N 3.39Å; A43-L46 PolarHBondContact O-N 2.82Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 2.73Å; L46-V59 HydrophobicContact CB-CG1 4.33Å; L46-V59 HydrophobicContact CD2-CG1 4.04Å; L46-V59 HydrophobicContact CD2-CG2 4.33Å; L46-V59 HydrophobicContact CG-CG1 4.41Å; L46-V59 HydrophobicContact CG-CG2 4.3Å; L46-I66 HydrophobicContact CD2-CD1 3.86Å; L46-V68 HydrophobicContact CD2-CG2 3.83Å
47Q98.6Very high98.4Very high25 Ų2555.2 Ų55.212%0.11733%0.329CS..Hα-helixtrans-67.6-46.8176.7-173.568.87000111.5R19 A43 Q44 T54 Y55 G57 V59R19-Q47 PolarHBondContact NH2-O 2.87Å; A43-Q47 WeakPolarHBondContact O-CB 3.31Å; A43-Q47 PolarHBondContact O-N 3.06Å; Q44-Q47 PolarHBondContact O-N 3.41Å; Q47-T54 HydrophobicContact CG-CG2 4.5Å; Q47-T54 CarbonylContact O-C 3.53Å; Q47-T54 VanDerWaalsContact O-CA 3.24Å; Q47-T54 WeakPolarHBondContact O-CA 3.25Å; Q47-T54 WeakPolarHBondContact O-CG2 3.42Å; Q47-Y55 PolarHBondContact NE2-O 2.8Å; Q47-Y55 PolarHBondContact O-N 3.22Å; Q47-G57 PolarHBondContact NE2-O 3.36Å; Q47-G57 VanDerWaalsContact NE2-O 3.11Å; Q47-G57 PolarHBondContact OE1-O 2.78Å; Q47-V59 HydrophobicContact CB-CB 4.07Å; Q47-V59 HydrophobicContact CB-CG2 4.3Å
48F98.8Very high98.4Very high107 Ų10756.7 Ų56.747%0.46934%0.338SS..EExtended strand (participates in β ladder)trans-122117.6-172.3-55.1-72.3000110.9Q44 T54Q44-F48 PolarHBondContact O-N 3.35Å; F48-T54 HydrophobicContact CD1-CG2 3.82Å; F48-T54 HydrophobicContact CE1-CG2 3.79Å
49D98.8Very high98.4Very high18 Ų1854.3 Ų54.310%0.09632%0.32CS..EExtended strand (participates in β ladder)trans-123.6130.6172.9-164.7-81.5000110.1R12 T51 H52 G53R12-D49 IonicContact CZ-OD1 2.68Å; R12-D49 IonicContact CZ-OD2 3.37Å; R12-D49 IonicContact NH1-OD1 3.87Å; R12-D49 IonicContact NH1-OD2 3.98Å; R12-D49 PolarHBondContact NH1-OD2 3.15Å; R12-D49 IonicContact NH2-OD1 3.54Å; R12-D49 PolarHBondContact NH2-OD1 2.83Å; R12-D49 IonicContact NH2-OD2 3.67Å; R12-D49 PolarHBondContact NH2-OD2 2.92Å; D49-T51 PolarHBondContact O-N 2.91Å; D49-T51 WeakPolarHBondContact OD1-CA 3.48Å; D49-T51 WeakPolarHBondContact OD1-CB 3.38Å; D49-T51 PolarHBondContact OD1-N 2.89Å; D49-H52 HydrophobicContact CB-CB 4.28Å; D49-H52 IonicContact OD1-CD2 3.4Å; D49-H52 PolarHBondContact OD1-N 3.31Å; D49-G53 PolarHBondContact N-O 3.06Å; D49-G53 VanDerWaalsContact N-O 3.13Å; D49-G53 CarbonylContact O-C 3.45Å; D49-G53 VanDerWaalsContact O-CA 3.23Å; D49-G53 WeakPolarHBondContact O-CA 3.48Å; D49-G53 PolarHBondContact O-N 3.44Å
50S98.7Very high98.4Very high133 Ų13357 Ų5793%0.9334%0.336SS*.THydrogen-bonded Turntrans-69.3-22.6-177.9-55.20000113.5
51T98.8Very high98.4Very high31 Ų3154.1 Ų54.119%0.1932%0.322CS..THydrogen-bonded Turntrans-96.7-50.9179.8-55.70000110.2R12 D49 V239 D240 I286R12-T51 PolarHBondContact NH2-OG1 2.98Å; D49-T51 PolarHBondContact O-N 2.91Å; D49-T51 WeakPolarHBondContact OD1-CA 3.48Å; D49-T51 WeakPolarHBondContact OD1-CB 3.38Å; D49-T51 PolarHBondContact OD1-N 2.89Å; T51-V239 HydrophobicContact CG2-CG2 4.46Å; T51-D240 HydrophobicContact CG2-CB 3.43Å; T51-D240 VanDerWaalsContact CG2-CB 3.43Å; T51-D240 WeakPolarHBondContact CG2-OD2 3.48Å; T51-I286 HydrophobicContact CG2-CG2 3.8Å
52H98.7Very high98.4Very high32 Ų3251.8 Ų51.815%0.14831%0.314CS..THydrogen-bonded Turntrans-99.715.1-171.3-61.2-67.7000113.6L16 R19 D49 D240 D317 E319L16-H52 HydrophobicContact CD2-CB 4.03Å; R19-H52 PolarHBondContact NH1-O 3.36Å; D49-H52 HydrophobicContact CB-CB 4.28Å; D49-H52 IonicContact OD1-CD2 3.4Å; D49-H52 PolarHBondContact OD1-N 3.31Å; H52-D240 IonicContact CE1-OD2 3.75Å; H52-D240 PolarHBondContact CE1-OD2 3.25Å; H52-D240 VanDerWaalsContact CE1-OD2 3.27Å; H52-D240 IonicContact NE2-OD2 3.62Å; H52-D240 PolarHBondContact NE2-OD2 3Å; H52-D240 VanDerWaalsContact NE2-OD2 3.14Å; H52-D317 IonicContact CE1-OD2 2.99Å; H52-D317 PolarHBondContact CE1-OD2 3.32Å; H52-E319 IonicContact CD2-OE2 3.66Å; H52-E319 IonicContact NE2-OE2 3.54Å; H52-E319 PolarHBondContact NE2-OE2 3.34Å
53G98.3Very high98.4Very high34 Ų3460.7 Ų60.735%0.35136%0.355SS..EExtended strand (participates in β ladder)trans66.2-170.2176.400000115.3R19 D49R19-G53 PolarHBondContact NH1-O 3.01Å; R19-G53 VanDerWaalsContact NH1-O 3.12Å; R19-G53 PolarHBondContact NH2-O 2.63Å; D49-G53 PolarHBondContact N-O 3.06Å; D49-G53 VanDerWaalsContact N-O 3.13Å; D49-G53 CarbonylContact O-C 3.45Å; D49-G53 VanDerWaalsContact O-CA 3.23Å; D49-G53 WeakPolarHBondContact O-CA 3.48Å; D49-G53 PolarHBondContact O-N 3.44Å
54T98.5Very high98.3Very high87 Ų8762.9 Ų62.953%0.53437%0.366SS..EExtended strand (participates in β ladder)trans-80.5133.5-179.8-56.60000110Q47 F48Q47-T54 HydrophobicContact CG-CG2 4.5Å; Q47-T54 CarbonylContact O-C 3.53Å; Q47-T54 VanDerWaalsContact O-CA 3.24Å; Q47-T54 WeakPolarHBondContact O-CA 3.25Å; Q47-T54 WeakPolarHBondContact O-CG2 3.42Å; F48-T54 HydrophobicContact CD1-CG2 3.82Å; F48-T54 HydrophobicContact CE1-CG2 3.79Å
55Y98.2Very high98.3Very high21 Ų2157.5 Ų57.58%0.08234%0.341CS..  trans-58130.7170.3-178.1-104.9000109.3R19 Q47 G57 V59 V68 D69R19-Y55 HydrophobicContact CG-CD2 3.92Å; R19-Y55 HydrophobicContact CG-CE2 4.34Å; Q47-Y55 PolarHBondContact NE2-O 2.8Å; Q47-Y55 PolarHBondContact O-N 3.22Å; Y55-G57 VanDerWaalsContact CD1-N 3.29Å; Y55-G57 PolarHBondContact O-N 2.89Å; Y55-V59 HydrophobicContact CD1-CG2 3.62Å; Y55-V59 HydrophobicContact CE1-CG2 4.21Å; Y55-V59 HydrophobicContact CG-CG2 4.24Å; Y55-V68 HydrophobicContact CE1-CG1 3.57Å; Y55-D69 PolarHBondContact OH-OD2 2.6Å; Y55-D69 VanDerWaalsContact OH-OD2 3.12Å
56P96.5Very high98.3Very high131 Ų13154.5 Ų54.585%0.85133%0.325SS*.SBendtrans-68.5-20.7-171.325.4-35.2000114.1
57G96.4Very high98.3Very high20 Ų2055.8 Ų55.821%0.20633%0.333CS..SBendtrans-94.6-164.4178.300000114Q47 Y55 D69Q47-G57 PolarHBondContact NE2-O 3.36Å; Q47-G57 VanDerWaalsContact NE2-O 3.11Å; Q47-G57 PolarHBondContact OE1-O 2.78Å; Y55-G57 VanDerWaalsContact CD1-N 3.29Å; Y55-G57 PolarHBondContact O-N 2.89Å; G57-D69 WeakPolarHBondContact CA-OD1 3.13Å
58T97.8Very high98.3Very high90 Ų9054.6 Ų54.655%0.55233%0.328SS*.  trans-102.5126.1179.3-55.40000110.8T60 V68 D69T58-T60 HydrophobicContact CG2-CG2 4.19Å; T58-V68 WeakPolarHBondContact O-CA 3.31Å; T58-D69 PolarHBondContact N-OD1 3.5Å; T58-D69 PolarHBondContact O-N 2.92Å
59V98.7Very high98.2Very high15 Ų1553.3 Ų53.39%0.09133%0.326CS..EExtended strand (participates in β ladder)trans-118.5123.4173.6-172.10000109.4A43 L46 Q47 Y55 V67 V68A43-V59 HydrophobicContact CB-CG1 3.81Å; A43-V59 WeakPolarHBondContact O-CG1 3.05Å; L46-V59 HydrophobicContact CB-CG1 4.33Å; L46-V59 HydrophobicContact CD2-CG1 4.04Å; L46-V59 HydrophobicContact CD2-CG2 4.33Å; L46-V59 HydrophobicContact CG-CG1 4.41Å; L46-V59 HydrophobicContact CG-CG2 4.3Å; Q47-V59 HydrophobicContact CB-CB 4.07Å; Q47-V59 HydrophobicContact CB-CG2 4.3Å; Y55-V59 HydrophobicContact CD1-CG2 3.62Å; Y55-V59 HydrophobicContact CE1-CG2 4.21Å; Y55-V59 HydrophobicContact CG-CG2 4.24Å; V59-V67 WeakPolarHBondContact CA-O 3.32Å; V59-V68 HydrophobicContact CG1-CG2 4.22Å; V59-V68 HydrophobicContact CG2-CG1 4.42Å; V59-V68 HydrophobicContact CG2-CG2 4.34Å
60T98.6Very high98.1Very high72 Ų7255.8 Ų55.844%0.44236%0.355SS..EExtended strand (participates in β ladder)trans-129.8175.3172.159.90000110.3T58 I66 V67T58-T60 HydrophobicContact CG2-CG2 4.19Å; T60-I66 WeakPolarHBondContact O-CA 3.15Å; T60-V67 PolarHBondContact N-O 3.42Å; T60-V67 PolarHBondContact O-N 2.83Å
61A98.7Very high98Very high37 Ų3754.2 Ų54.231%0.30633%0.333SS..EExtended strand (participates in β ladder)trans-130.7150.1178.800000111.6P39 A43 S65P39-A61 HydrophobicContact CB-CB 4.25Å; A43-A61 HydrophobicContact CB-CB 3.86Å; A61-S65 WeakPolarHBondContact CA-O 3.41Å
62T98.5Very high98Very high51 Ų5158.9 Ų58.931%0.31335%0.351SS..  trans-103-173.2159.266.60000108.9D64 S65 V67T62-D64 PolarHBondContact O-N 3.23Å; T62-D64 PolarHBondContact OG1-N 3.17Å; T62-D64 PolarHBondContact OG1-OD1 2.9Å; T62-S65 PolarHBondContact N-O 2.88Å; T62-S65 VanDerWaalsContact OG1-CB 3.25Å; T62-S65 WeakPolarHBondContact OG1-CB 3.4Å; T62-S65 PolarHBondContact OG1-N 3.11Å; T62-S65 PolarHBondContact OG1-O 3.04Å; T62-V67 HydrophobicContact CG2-CG2 4.25Å
63E97.8Very high98Very high189 Ų18957.8 Ų57.888%0.88335%0.346SS*.SBendtrans-59.1-29.3173.1-175175.8-176.800112.9P39P39-E63 WeakPolarHBondContact CG-O 3.04Å
64D98.4Very high98Very high51 Ų5159.6 Ų59.627%0.27334%0.343SS..SBendtrans-133.83.9-163.880.2-27.8000113.5T62 K72 R74 V75T62-D64 PolarHBondContact O-N 3.23Å; T62-D64 PolarHBondContact OG1-N 3.17Å; T62-D64 PolarHBondContact OG1-OD1 2.9Å; D64-K72 IonicContact OD1-NZ 2.97Å; D64-K72 PolarHBondContact OD1-NZ 2.78Å; D64-R74 WeakPolarHBondContact O-CD 3.48Å; D64-R74 PolarHBondContact O-NH1 3.5Å; D64-R74 IonicContact OD2-CZ 3.5Å; D64-R74 IonicContact OD2-NE 2.68Å; D64-R74 PolarHBondContact OD2-NE 2.79Å; D64-R74 IonicContact OD2-NH1 3.26Å; D64-V75 PolarHBondContact O-N 2.78Å
65S98.7Very high98Very high0 Ų055.8 Ų55.80%032%0.319CS..EExtended strand (participates in β ladder)trans-153.6160.4-170.7-52.20000111.7P39 A61 T62 K72 T73P39-S65 WeakPolarHBondContact CB-O 3.36Å; A61-S65 WeakPolarHBondContact CA-O 3.41Å; T62-S65 PolarHBondContact N-O 2.88Å; T62-S65 VanDerWaalsContact OG1-CB 3.25Å; T62-S65 WeakPolarHBondContact OG1-CB 3.4Å; T62-S65 PolarHBondContact OG1-N 3.11Å; T62-S65 PolarHBondContact OG1-O 3.04Å; S65-K72 WeakPolarHBondContact OG-CE 3.39Å; S65-T73 WeakPolarHBondContact CA-O 3.42Å; S65-T73 VanDerWaalsContact CB-O 3.23Å; S65-T73 WeakPolarHBondContact CB-O 3.38Å
66I98.6Very high98Very high0 Ų055.1 Ų55.10%032%0.317CS..EExtended strand (participates in β ladder)trans-101149.7161.261.8173.6000109.2F10 F18 I33 A43 L46 T60 V68 T73 V75F10-I66 HydrophobicContact CE1-CD1 4.05Å; F10-I66 HydrophobicContact CZ-CD1 4.03Å; F18-I66 HydrophobicContact CE2-CD1 4.04Å; F18-I66 HydrophobicContact CZ-CD1 4.25Å; I33-I66 HydrophobicContact CD1-CD1 3.4Å; I33-I66 HydrophobicContact CD1-CG1 4.05Å; A43-I66 HydrophobicContact CB-CG2 4.05Å; L46-I66 HydrophobicContact CD2-CD1 3.86Å; T60-I66 WeakPolarHBondContact O-CA 3.15Å; I66-V68 HydrophobicContact CD1-CG2 4.18Å; I66-V68 HydrophobicContact CG1-CG2 4.48Å; I66-T73 PolarHBondContact N-O 2.65Å; I66-T73 PolarHBondContact O-N 3.5Å; I66-V75 HydrophobicContact CG1-CG2 4.42Å; I66-V75 HydrophobicContact CG2-CG2 4.02Å
67V98.6Very high98.1Very high27 Ų2751.9 Ų51.916%0.16430%0.301CS..EExtended strand (participates in β ladder)trans-122.7113.4174.8-177.70000108V59 T60 T62 E71 K72V59-V67 WeakPolarHBondContact CA-O 3.32Å; T60-V67 PolarHBondContact N-O 3.42Å; T60-V67 PolarHBondContact O-N 2.83Å; T62-V67 HydrophobicContact CG2-CG2 4.25Å; V67-E71 CarbonylContact C-O 3.59Å; V67-E71 VanDerWaalsContact CA-O 3.25Å; V67-E71 WeakPolarHBondContact CA-O 3.23Å; V67-K72 HydrophobicContact CG2-CB 4.29Å; V67-K72 HydrophobicContact CG2-CG 4.25Å
68V98.2Very high98.2Very high1 Ų154.6 Ų54.61%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-114.9119.4-177.8-175.50000108.4F18 L46 Y55 T58 V59 I66 G70 E71F18-V68 HydrophobicContact CE1-CB 4.17Å; F18-V68 HydrophobicContact CE1-CG1 4.14Å; F18-V68 HydrophobicContact CE1-CG2 3.75Å; F18-V68 HydrophobicContact CZ-CB 4.2Å; F18-V68 HydrophobicContact CZ-CG2 3.73Å; L46-V68 HydrophobicContact CD2-CG2 3.83Å; Y55-V68 HydrophobicContact CE1-CG1 3.57Å; T58-V68 WeakPolarHBondContact O-CA 3.31Å; V59-V68 HydrophobicContact CG1-CG2 4.22Å; V59-V68 HydrophobicContact CG2-CG1 4.42Å; V59-V68 HydrophobicContact CG2-CG2 4.34Å; I66-V68 HydrophobicContact CD1-CG2 4.18Å; I66-V68 HydrophobicContact CG1-CG2 4.48Å; V68-G70 PolarHBondContact O-N 2.94Å; V68-G70 VanDerWaalsContact O-N 3.1Å; V68-E71 PolarHBondContact N-O 2.93Å; V68-E71 WeakPolarHBondContact O-CB 3.44Å; V68-E71 PolarHBondContact O-N 3.46Å
69D97.1Very high98.2Very high80 Ų8054.8 Ų54.843%0.42831%0.311SS..THydrogen-bonded Turntrans50.936.5-178.5-59.4-37000113.8Y55 G57 T58 E71Y55-D69 PolarHBondContact OH-OD2 2.6Å; Y55-D69 VanDerWaalsContact OH-OD2 3.12Å; G57-D69 WeakPolarHBondContact CA-OD1 3.13Å; T58-D69 PolarHBondContact N-OD1 3.5Å; T58-D69 PolarHBondContact O-N 2.92Å; D69-E71 VanDerWaalsContact C-N 3.31Å; D69-E71 PolarHBondContact O-N 3.14Å
70G97.2Very high98.2Very high69 Ų6956.4 Ų56.471%0.71132%0.319SS*.THydrogen-bonded Turntrans86.1-8.5-179.400000114.9V68V68-G70 PolarHBondContact O-N 2.94Å; V68-G70 VanDerWaalsContact O-N 3.1Å
71E96.6Very high98.2Very high100 Ų10053 Ų5347%0.46730%0.298SS..EExtended strand (participates in β ladder)trans-91.6128.5177.7-66.5176.2-160.200111.5K22 V67 V68 D69K22-E71 VanDerWaalsContact CE-OE2 3.24Å; K22-E71 WeakPolarHBondContact CE-OE2 3.43Å; K22-E71 IonicContact NZ-OE1 2.76Å; K22-E71 PolarHBondContact NZ-OE1 3.41Å; K22-E71 IonicContact NZ-OE2 2.9Å; K22-E71 PolarHBondContact NZ-OE2 3.46Å; V67-E71 CarbonylContact C-O 3.59Å; V67-E71 VanDerWaalsContact CA-O 3.25Å; V67-E71 WeakPolarHBondContact CA-O 3.23Å; V68-E71 PolarHBondContact N-O 2.93Å; V68-E71 WeakPolarHBondContact O-CB 3.44Å; V68-E71 PolarHBondContact O-N 3.46Å; D69-E71 VanDerWaalsContact C-N 3.31Å; D69-E71 PolarHBondContact O-N 3.14Å
72K98Very high98.1Very high129 Ų12953.5 Ų53.556%0.56130%0.3SS*.EExtended strand (participates in β ladder)trans-91.7120.7-177.2-174.4178.2178.5-177.30110.8D64 S65 V67D64-K72 IonicContact OD1-NZ 2.97Å; D64-K72 PolarHBondContact OD1-NZ 2.78Å; S65-K72 WeakPolarHBondContact OG-CE 3.39Å; V67-K72 HydrophobicContact CG2-CB 4.29Å; V67-K72 HydrophobicContact CG2-CG 4.25Å
73T98.4Very high98.1Very high9 Ų957.3 Ų57.36%0.05531%0.312CS..EExtended strand (participates in β ladder)trans-111.9119.9172.9-52.30000109.8F18 V30 I33 S65 I66F18-T73 HydrophobicContact CE2-CG2 4.31Å; V30-T73 HydrophobicContact CG1-CG2 4.23Å; I33-T73 HydrophobicContact CD1-CG2 3.94Å; I33-T73 HydrophobicContact CG1-CG2 4.12Å; S65-T73 WeakPolarHBondContact CA-O 3.42Å; S65-T73 VanDerWaalsContact CB-O 3.23Å; S65-T73 WeakPolarHBondContact CB-O 3.38Å; I66-T73 PolarHBondContact N-O 2.65Å; I66-T73 PolarHBondContact O-N 3.5Å
74R98.5Very high98.2Very high73 Ų7348.5 Ų48.528%0.27527%0.27SS..EExtended strand (participates in β ladder)trans-65137.4-179.4-176.768.1176.387.26.1110.8I33 D64 Y76I33-R74 PolarHBondContact N-O 2.99Å; D64-R74 WeakPolarHBondContact O-CD 3.48Å; D64-R74 PolarHBondContact O-NH1 3.5Å; D64-R74 IonicContact OD2-CZ 3.5Å; D64-R74 IonicContact OD2-NE 2.68Å; D64-R74 PolarHBondContact OD2-NE 2.79Å; D64-R74 IonicContact OD2-NH1 3.26Å; R74-Y76 HydrophobicContact CB-CE2 4.2Å; R74-Y76 HydrophobicContact CG-CD1 4.43Å; R74-Y76 HydrophobicContact CG-CD2 4.13Å; R74-Y76 HydrophobicContact CG-CE1 3.99Å; R74-Y76 HydrophobicContact CG-CE2 3.65Å; R74-Y76 HydrophobicContact CG-CG 4.49Å
75V98.8Very high98.1Very high6 Ų648 Ų484%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-11395.2174.1-179.60000110.2I33 P39 L42 D64 I66I33-V75 HydrophobicContact CB-CG2 4.31Å; I33-V75 HydrophobicContact CG2-CG1 4.47Å; I33-V75 CarbonylContact O-C 3.59Å; I33-V75 WeakPolarHBondContact O-CA 3.4Å; P39-V75 HydrophobicContact CB-CG2 4.44Å; P39-V75 HydrophobicContact CG-CB 4.06Å; P39-V75 HydrophobicContact CG-CG1 4.19Å; P39-V75 HydrophobicContact CG-CG2 4.47Å; L42-V75 HydrophobicContact CD1-CG1 3.77Å; D64-V75 PolarHBondContact O-N 2.78Å; I66-V75 HydrophobicContact CG1-CG2 4.42Å; I66-V75 HydrophobicContact CG2-CG2 4.02Å
76Y98.7Very high98.1Very high8 Ų848 Ų483%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-67.3157.8169.3-62.6-76.3000111.3A32 I33 N34 D35 R74 I84 P85 W86 E89 N90A32-Y76 HydrophobicContact CB-CD2 4.26Å; A32-Y76 HydrophobicContact CB-CE2 3.9Å; I33-Y76 PolarHBondContact O-N 3.41Å; N34-Y76 CarbonylContact C-O 3.41Å; N34-Y76 WeakPolarHBondContact CA-O 3.38Å; N34-Y76 VanDerWaalsContact OD1-C 3.24Å; N34-Y76 VanDerWaalsContact OD1-CB 3.27Å; N34-Y76 WeakPolarHBondContact OD1-CB 3.14Å; N34-Y76 PolarHBondContact OD1-O 2.82Å; D35-Y76 PolarHBondContact N-O 3.42Å; R74-Y76 HydrophobicContact CB-CE2 4.2Å; R74-Y76 HydrophobicContact CG-CD1 4.43Å; R74-Y76 HydrophobicContact CG-CD2 4.13Å; R74-Y76 HydrophobicContact CG-CE1 3.99Å; R74-Y76 HydrophobicContact CG-CE2 3.65Å; R74-Y76 HydrophobicContact CG-CG 4.49Å; Y76-I84 HydrophobicContact CD2-CG2 4.12Å; Y76-I84 HydrophobicContact CG-CG2 4.17Å; Y76-P85 HydrophobicContact CD1-CG 3.94Å; Y76-P85 HydrophobicContact CE1-CG 3.47Å; Y76-P85 VanDerWaalsContact CE1-CG 3.47Å; Y76-W86 HydrophobicContact CD2-CB 4.23Å; Y76-W86 HydrophobicContact CE2-CB 3.71Å; Y76-E89 VanDerWaalsContact CE1-OE2 3.26Å; Y76-E89 WeakPolarHBondContact CE1-OE2 3.32Å; Y76-E89 WeakPolarHBondContact OH-CB 3.5Å; Y76-E89 PolarHBondContact OH-OE2 2.65Å; Y76-N90 WeakPolarHBondContact CE2-OD1 3.15Å; Y76-N90 PolarHBondContact OH-OD1 3.03Å
77A98.2Very high98.1Very high62 Ų6250 Ų5051%0.51228%0.282SS..  trans-134.947.3179.800000110.9N34 D35N34-A77 PolarHBondContact OD1-N 3.4Å; D35-A77 WeakPolarHBondContact O-CA 3.42Å; D35-A77 WeakPolarHBondContact O-CB 3.25Å
78E98.3Very high98Very high77 Ų7758.1 Ų58.136%0.3632%0.315SS..  trans-93.9120-179.4-67.4-60.5152.900110.5N34 D80 I84N34-E78 PolarHBondContact ND2-O 2.9Å; N34-E78 PolarHBondContact OD1-N 3.28Å; E78-D80 PolarHBondContact O-N 3.18Å; E78-I84 HydrophobicContact CB-CG1 3.94Å
79P97.8Very high98Very high94 Ų9463.6 Ų63.661%0.6134%0.341SS*.SBendtrans-69.4-22.3177.4-19.231.7000113.7L36 Y102L36-P79 HydrophobicContact CD2-CB 4.41Å; L36-P79 HydrophobicContact CD2-CG 3.95Å; P79-Y102 PolarHBondContact O-OH 2.68Å
80D98.1Very high98.1Very high50 Ų5061.7 Ų61.727%0.26733%0.331SS..SBendtrans-108.7107.6-176.9179.5-4.1000109.4E78 S82 K83E78-D80 PolarHBondContact O-N 3.18Å; D80-S82 VanDerWaalsContact CG-OG 3.26Å; D80-S82 PolarHBondContact O-N 2.96Å; D80-S82 VanDerWaalsContact O-N 3.08Å; D80-S82 PolarHBondContact OD1-N 2.81Å; D80-S82 VanDerWaalsContact OD1-N 3.16Å; D80-S82 PolarHBondContact OD1-OG 2.8Å; D80-S82 PolarHBondContact OD2-OG 3.44Å; D80-K83 HydrophobicContact CB-CD 4.16Å; D80-K83 HydrophobicContact CB-CG 4.38Å; D80-K83 PolarHBondContact O-N 3.09Å; D80-K83 WeakPolarHBondContact OD2-CE 3.11Å; D80-K83 IonicContact OD2-NZ 2.84Å; D80-K83 PolarHBondContact OD2-NZ 2.75Å
81A98.5Very high98.1Very high0 Ų059.7 Ų59.70%031%0.31CS..G310 helixtrans-54-29-177.600000114.2K83 I84 Y102 A110 H111A81-K83 PolarHBondContact O-N 3.09Å; A81-I84 HydrophobicContact CB-CD1 4.24Å; A81-I84 PolarHBondContact O-N 3.44Å; A81-Y102 HydrophobicContact CB-CD1 4.28Å; A81-Y102 HydrophobicContact CB-CD2 4.4Å; A81-Y102 HydrophobicContact CB-CE1 3.67Å; A81-Y102 HydrophobicContact CB-CE2 3.81Å; A81-Y102 VanDerWaalsContact CB-CZ 3.41Å; A81-Y102 PolarHBondContact N-OH 2.72Å; A81-A110 HydrophobicContact CB-CB 3.91Å; A81-H111 VanDerWaalsContact CB-CE1 3.45Å; A81-H111 WeakPolarHBondContact CB-CE1 3.28Å
82S97.9Very high98.1Very high48 Ų4855 Ų5534%0.33629%0.288SS..G310 helixtrans-68.6-12.8178.469.10000113.9D80 A110D80-S82 VanDerWaalsContact CG-OG 3.26Å; D80-S82 PolarHBondContact O-N 2.96Å; D80-S82 VanDerWaalsContact O-N 3.08Å; D80-S82 PolarHBondContact OD1-N 2.81Å; D80-S82 VanDerWaalsContact OD1-N 3.16Å; D80-S82 PolarHBondContact OD1-OG 2.8Å; D80-S82 PolarHBondContact OD2-OG 3.44Å; S82-A110 VanDerWaalsContact CA-O 3.28Å; S82-A110 WeakPolarHBondContact CA-O 3.43Å
83K98.2Very high98.1Very high131 Ų13150.6 Ų50.657%0.5727%0.271SS*.G310 helixtrans-107.5-3.1-176.9-62.8179.2-175148.90113.7D80 A81 P85D80-K83 HydrophobicContact CB-CD 4.16Å; D80-K83 HydrophobicContact CB-CG 4.38Å; D80-K83 PolarHBondContact O-N 3.09Å; D80-K83 WeakPolarHBondContact OD2-CE 3.11Å; D80-K83 IonicContact OD2-NZ 2.84Å; D80-K83 PolarHBondContact OD2-NZ 2.75Å; A81-K83 PolarHBondContact O-N 3.09Å; K83-P85 VanDerWaalsContact O-CD 3.31Å; K83-P85 WeakPolarHBondContact O-CD 3.4Å
84I98.5Very high98Very high3 Ų350.3 Ų50.32%0.01527%0.269CS..  trans-67.2117.8178.9-53.2166.7000108.5N34 Y76 E78 A81 W86N34-I84 HydrophobicContact CB-CD1 3.87Å; N34-I84 HydrophobicContact CB-CG1 4.44Å; N34-I84 HydrophobicContact CB-CG2 4.42Å; Y76-I84 HydrophobicContact CD2-CG2 4.12Å; Y76-I84 HydrophobicContact CG-CG2 4.17Å; E78-I84 HydrophobicContact CB-CG1 3.94Å; A81-I84 HydrophobicContact CB-CD1 4.24Å; A81-I84 PolarHBondContact O-N 3.44Å; I84-W86 HydrophobicContact CB-CD2 4.4Å; I84-W86 HydrophobicContact CB-CG 4.4Å; I84-W86 HydrophobicContact CD1-CH2 4.3Å; I84-W86 HydrophobicContact CD1-CZ2 4Å; I84-W86 HydrophobicContact CG2-CB 4Å; I84-W86 HydrophobicContact CG2-CD2 3.52Å; I84-W86 HydrophobicContact CG2-CE3 3.96Å; I84-W86 HydrophobicContact CG2-CG 3.53Å; I84-W86 HydrophobicContact CG2-CZ2 4.38Å; I84-W86 PolarHBondContact O-N 3.38Å
85P98.1Very high98Very high42 Ų4246.9 Ų46.927%0.27326%0.256SS..THydrogen-bonded Turntrans-858.4-169.935.6-37.5000114Y76 K83 V87 K88 E89Y76-P85 HydrophobicContact CD1-CG 3.94Å; Y76-P85 HydrophobicContact CE1-CG 3.47Å; Y76-P85 VanDerWaalsContact CE1-CG 3.47Å; K83-P85 VanDerWaalsContact O-CD 3.31Å; K83-P85 WeakPolarHBondContact O-CD 3.4Å; P85-V87 VanDerWaalsContact C-N 3.28Å; P85-V87 PolarHBondContact O-N 2.86Å; P85-V87 VanDerWaalsContact O-N 3.13Å; P85-K88 PolarHBondContact O-N 3.35Å; P85-E89 HydrophobicContact CB-CG 4.13Å; P85-E89 HydrophobicContact CG-CG 4.43Å; P85-E89 PolarHBondContact O-N 2.83Å
86W98.2Very high98Very high0 Ų046.6 Ų46.60%025%0.254CS..Hα-helixtrans-61.8-21.4-169.360.1-5000116.2G6 N8 A32 N34 Y76 I84 N90 G91 V92 V95 H111G6-W86 VanDerWaalsContact C-CZ3 3.48Å; N8-W86 HydrophobicContact CB-CH2 4.06Å; A32-W86 HydrophobicContact CB-CB 3.97Å; A32-W86 HydrophobicContact CB-CE3 3.91Å; N34-W86 HydrophobicContact CB-CZ3 4.42Å; Y76-W86 HydrophobicContact CD2-CB 4.23Å; Y76-W86 HydrophobicContact CE2-CB 3.71Å; I84-W86 HydrophobicContact CB-CD2 4.4Å; I84-W86 HydrophobicContact CB-CG 4.4Å; I84-W86 HydrophobicContact CD1-CH2 4.3Å; I84-W86 HydrophobicContact CD1-CZ2 4Å; I84-W86 HydrophobicContact CG2-CB 4Å; I84-W86 HydrophobicContact CG2-CD2 3.52Å; I84-W86 HydrophobicContact CG2-CE3 3.96Å; I84-W86 HydrophobicContact CG2-CG 3.53Å; I84-W86 HydrophobicContact CG2-CZ2 4.38Å; I84-W86 PolarHBondContact O-N 3.38Å; W86-N90 CarbonylContact O-C 3.58Å; W86-N90 WeakPolarHBondContact O-CA 3.28Å; W86-N90 WeakPolarHBondContact O-CB 3.48Å; W86-N90 PolarHBondContact O-N 3.39Å; W86-G91 PolarHBondContact O-N 3.46Å; W86-V92 HydrophobicContact CB-CB 4.39Å; W86-V92 HydrophobicContact CB-CG2 3.71Å; W86-V92 HydrophobicContact CD2-CB 4.25Å; W86-V92 HydrophobicContact CD2-CG1 4.21Å; W86-V92 HydrophobicContact CD2-CG2 3.82Å; W86-V92 HydrophobicContact CE3-CG2 4.07Å; W86-V92 HydrophobicContact CG-CB 4.01Å; W86-V92 HydrophobicContact CG-CG1 4.43Å; W86-V92 HydrophobicContact CG-CG2 3.66Å; W86-V92 PolarHBondContact O-N 3.41Å; W86-V95 HydrophobicContact CH2-CB 4.36Å; W86-V95 HydrophobicContact CH2-CG1 3.86Å; W86-V95 HydrophobicContact CH2-CG2 3.57Å; W86-V95 HydrophobicContact CZ2-CB 4.23Å; W86-V95 HydrophobicContact CZ2-CG1 4.01Å; W86-V95 HydrophobicContact CZ2-CG2 3.14Å; W86-H111 AromaticContact CZ2-ND1 3.8Å
87V98.1Very high98Very high41 Ų4146.2 Ų46.225%0.24825%0.253CS..Hα-helixtrans-68.9-46.6174177.90000108.9P85 G91 V92 A114 V116P85-V87 VanDerWaalsContact C-N 3.28Å; P85-V87 PolarHBondContact O-N 2.86Å; P85-V87 VanDerWaalsContact O-N 3.13Å; V87-G91 WeakPolarHBondContact O-CA 3.4Å; V87-G91 PolarHBondContact O-N 3.09Å; V87-G91 VanDerWaalsContact O-N 3.09Å; V87-V92 HydrophobicContact CG2-CB 4.38Å; V87-A114 WeakPolarHBondContact CG2-O 3.31Å; V87-V116 HydrophobicContact CG2-CB 4.44Å; V87-V116 HydrophobicContact CG2-CG2 3.63Å
88K97.3Very high98Very high198 Ų19844.2 Ų44.286%0.86124%0.235SC*.Hα-helixtrans-74.6-38.2178.6-174.9-177.3175-172.20112P85P85-K88 PolarHBondContact O-N 3.35Å
89E97.7Very high98Very high116 Ų11642.2 Ų42.254%0.54223%0.228SC..Hα-helixtrans-88.7-31.7-172.1-69.8-174.5-171.400114.1Y76 P85Y76-E89 VanDerWaalsContact CE1-OE2 3.26Å; Y76-E89 WeakPolarHBondContact CE1-OE2 3.32Å; Y76-E89 WeakPolarHBondContact OH-CB 3.5Å; Y76-E89 PolarHBondContact OH-OE2 2.65Å; P85-E89 HydrophobicContact CB-CG 4.13Å; P85-E89 HydrophobicContact CG-CG 4.43Å; P85-E89 PolarHBondContact O-N 2.83Å
90N98Very high97.8Very high40 Ų4039.8 Ų39.821%0.21422%0.22CC..Hα-helixtrans-123.6-11.9-177.9-56.997.3000113.8K4 V31 A32 Y76 W86K4-N90 WeakPolarHBondContact CD-O 3.37Å; K4-N90 PolarHBondContact NZ-O 3.02Å; K4-N90 VanDerWaalsContact NZ-O 3.15Å; V31-N90 HydrophobicContact CB-CB 4.13Å; V31-N90 HydrophobicContact CG2-CB 3.78Å; A32-N90 HydrophobicContact CB-CB 4.24Å; Y76-N90 WeakPolarHBondContact CE2-OD1 3.15Å; Y76-N90 PolarHBondContact OH-OD1 3.03Å; W86-N90 CarbonylContact O-C 3.58Å; W86-N90 WeakPolarHBondContact O-CA 3.28Å; W86-N90 WeakPolarHBondContact O-CB 3.48Å; W86-N90 PolarHBondContact O-N 3.39Å
91G97.2Very high97.7Very high27 Ų2744 Ų4428%0.27824%0.236SC..  trans78.931.1-178.100000113.4K4 W86 V87 D93K4-G91 VanDerWaalsContact CB-O 3.27Å; K4-G91 WeakPolarHBondContact CB-O 3.32Å; K4-G91 WeakPolarHBondContact CD-O 3.35Å; W86-G91 PolarHBondContact O-N 3.46Å; V87-G91 WeakPolarHBondContact O-CA 3.4Å; V87-G91 PolarHBondContact O-N 3.09Å; V87-G91 VanDerWaalsContact O-N 3.09Å; G91-D93 PolarHBondContact O-N 3.37Å
92V98.1Very high97.7Very high2 Ų245.8 Ų45.81%0.01224%0.243CC..  trans-56.3125.2177.6171.40000111V31 A32 W86 V87 I94 V95 V116V31-V92 HydrophobicContact CG2-CG2 3.54Å; A32-V92 HydrophobicContact CB-CG2 4.18Å; W86-V92 HydrophobicContact CB-CB 4.39Å; W86-V92 HydrophobicContact CB-CG2 3.71Å; W86-V92 HydrophobicContact CD2-CB 4.25Å; W86-V92 HydrophobicContact CD2-CG1 4.21Å; W86-V92 HydrophobicContact CD2-CG2 3.82Å; W86-V92 HydrophobicContact CE3-CG2 4.07Å; W86-V92 HydrophobicContact CG-CB 4.01Å; W86-V92 HydrophobicContact CG-CG1 4.43Å; W86-V92 HydrophobicContact CG-CG2 3.66Å; W86-V92 PolarHBondContact O-N 3.41Å; V87-V92 HydrophobicContact CG2-CB 4.38Å; V92-I94 WeakPolarHBondContact CG1-O 3.17Å; V92-V95 HydrophobicContact CG1-CG2 3.89Å; V92-V116 HydrophobicContact CG1-CG2 4.35Å
93D96.4Very high97.6Very high36 Ų3645.6 Ų45.619%0.19324%0.24CC..  trans-96.9-43.4177.1-68.3-62.9000111.6V3 K4 G91 K117 R118V3-D93 HydrophobicContact CG1-CB 3.96Å; K4-D93 PolarHBondContact N-OD2 2.96Å; K4-D93 PolarHBondContact O-N 3.45Å; G91-D93 PolarHBondContact O-N 3.37Å; D93-K117 HydrophobicContact CB-CD 4.45Å; D93-K117 WeakPolarHBondContact O-CB 3.5Å; D93-K117 PolarHBondContact O-N 2.9Å; D93-K117 WeakPolarHBondContact OD1-CE 3.23Å; D93-K117 IonicContact OD1-NZ 2.72Å; D93-K117 PolarHBondContact OD1-NZ 2.87Å; D93-R118 PolarHBondContact O-N 2.84Å
94I97.6Very high97.5Very high3 Ų340.7 Ų40.72%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-131.3143.5-174.3-168.6162.5000110.6V3 K4 V5 G6 V92 R118 V120 L330 F333V3-I94 HydrophobicContact CG1-CG2 3.77Å; K4-I94 PolarHBondContact O-N 3.34Å; V5-I94 WeakPolarHBondContact CA-O 3.21Å; V5-I94 HydrophobicContact CB-CG2 4.39Å; V5-I94 HydrophobicContact CG2-CG2 3.84Å; G6-I94 PolarHBondContact N-O 2.93Å; V92-I94 WeakPolarHBondContact CG1-O 3.17Å; I94-R118 WeakPolarHBondContact CA-O 3.4Å; I94-R118 HydrophobicContact CB-CB 4.46Å; I94-R118 HydrophobicContact CD1-CB 3.93Å; I94-R118 HydrophobicContact CG1-CB 3.87Å; I94-R118 WeakPolarHBondContact CG1-O 3.46Å; I94-V120 HydrophobicContact CD1-CG2 4.31Å; I94-L330 HydrophobicContact CD1-CD1 3.41Å; I94-L330 VanDerWaalsContact CD1-CD1 3.41Å; I94-L330 HydrophobicContact CD1-CG 4.23Å; I94-L330 HydrophobicContact CG1-CD1 3.68Å; I94-L330 HydrophobicContact CG2-CD1 4.05Å; I94-L330 HydrophobicContact CG2-CG 4.4Å; I94-F333 HydrophobicContact CD1-CB 4.34Å; I94-F333 HydrophobicContact CD1-CD1 3.75Å; I94-F333 HydrophobicContact CD1-CG 4.32Å
95V98.5Very high97.4Very high0 Ų045.9 Ų45.90%025%0.246CC..EExtended strand (participates in β ladder)trans-113.5132.5177.7169.70000111.3G6 N8 W86 V92 E97 V116 R118 V119 V120G6-V95 VanDerWaalsContact O-CA 3.3Å; G6-V95 WeakPolarHBondContact O-CA 2.88Å; N8-V95 HydrophobicContact CB-CG1 4.38Å; W86-V95 HydrophobicContact CH2-CB 4.36Å; W86-V95 HydrophobicContact CH2-CG1 3.86Å; W86-V95 HydrophobicContact CH2-CG2 3.57Å; W86-V95 HydrophobicContact CZ2-CB 4.23Å; W86-V95 HydrophobicContact CZ2-CG1 4.01Å; W86-V95 HydrophobicContact CZ2-CG2 3.14Å; V92-V95 HydrophobicContact CG1-CG2 3.89Å; V95-E97 HydrophobicContact CG1-CB 4.43Å; V95-V116 HydrophobicContact CB-CG1 4.06Å; V95-V116 HydrophobicContact CG2-CB 4.18Å; V95-V116 HydrophobicContact CG2-CG1 3.55Å; V95-V116 HydrophobicContact CG2-CG2 3.6Å; V95-R118 PolarHBondContact N-O 2.8Å; V95-V119 HydrophobicContact CB-CG2 4.5Å; V95-V119 WeakPolarHBondContact O-CA 3.39Å; V95-V120 PolarHBondContact O-N 2.7Å
96L98.6Very high97.3Very high0 Ų052.2 Ų52.20%027%0.272CS..EExtended strand (participates in β ladder)trans-94.4109.4162-17067.8000108.5G6 N8 A17 V120 M326G6-L96 PolarHBondContact O-N 3.27Å; N8-L96 PolarHBondContact N-O 3.29Å; A17-L96 HydrophobicContact CB-CD2 3.43Å; A17-L96 VanDerWaalsContact CB-CD2 3.43Å; L96-V120 HydrophobicContact CD1-CB 4.02Å; L96-V120 HydrophobicContact CD1-CG1 4.01Å; L96-M326 HydrophobicContact CD1-CB 4.42Å; L96-M326 HydrophobicContact CD1-CE 4.2Å; L96-M326 HydrophobicContact CD1-SD 4.01Å; L96-M326 HydrophobicContact CD2-CE 4.16Å
97E98.7Very high97.3Very high1 Ų157.2 Ų57.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-92103.8-177.4168.650.9-119.100110.3N8 V95 T99 H111 V119 V120 S122N8-E97 PolarHBondContact ND2-OE2 3.44Å; V95-E97 HydrophobicContact CG1-CB 4.43Å; E97-T99 WeakPolarHBondContact OE1-CA 3.37Å; E97-T99 WeakPolarHBondContact OE1-CB 3.39Å; E97-T99 WeakPolarHBondContact OE1-CG2 3.13Å; E97-T99 PolarHBondContact OE1-N 2.86Å; E97-T99 PolarHBondContact OE1-OG1 3.43Å; E97-H111 IonicContact OE2-CD2 3.01Å; E97-H111 IonicContact OE2-CE1 2.69Å; E97-H111 IonicContact OE2-NE2 3.56Å; E97-H111 PolarHBondContact OE2-NE2 3.17Å; E97-V119 HydrophobicContact CB-CG1 4.11Å; E97-V120 PolarHBondContact N-O 3.02Å; E97-S122 WeakPolarHBondContact O-CB 3.3Å; E97-S122 PolarHBondContact O-N 3.36Å; E97-S122 PolarHBondContact O-OG 2.89Å
98C98.4Very high97.3Very high19 Ų1955.2 Ų55.213%0.12828%0.282CS..  trans-119.310.7-173.1-67.90000114.7N8 G9 S122N8-C98 CarbonylContact O-C 3.46Å; N8-C98 WeakPolarHBondContact O-CA 3.32Å; N8-C98 WeakPolarHBondContact O-CB 3.31Å; N8-C98 PolarHBondContact O-N 3.5Å; G9-C98 WeakPolarHBondContact O-CB 3.32Å; C98-S122 WeakPolarHBondContact CA-OG 3.5Å; C98-S122 PolarHBondContact SG-OG 2.87Å
99T97.5Very high97.3Very high36 Ų3649.1 Ų49.122%0.22126%0.257CS..SBendtrans-76.7-26.1-178.971.50000112.8N8 E97 F101N8-T99 HydrophobicContact CB-CG2 4.17Å; N8-T99 VanDerWaalsContact CG-CG2 3.47Å; N8-T99 WeakPolarHBondContact ND2-CG2 3.3Å; N8-T99 WeakPolarHBondContact O-CG2 3.28Å; N8-T99 PolarHBondContact O-N 3.4Å; E97-T99 WeakPolarHBondContact OE1-CA 3.37Å; E97-T99 WeakPolarHBondContact OE1-CB 3.39Å; E97-T99 WeakPolarHBondContact OE1-CG2 3.13Å; E97-T99 PolarHBondContact OE1-N 2.86Å; E97-T99 PolarHBondContact OE1-OG1 3.43Å; T99-F101 PolarHBondContact O-N 3.12Å; T99-F101 PolarHBondContact OG1-N 3.3Å
100G94.8Very high97.4Very high42 Ų4244.3 Ų44.343%0.43324%0.236SC..SBendtrans77-3.2-168.900000114.4T103G100-T103 WeakPolarHBondContact O-CG2 3.5Å; G100-T103 PolarHBondContact O-OG1 2.89Å
101F96.1Very high97.4Very high139 Ų13942.4 Ų42.461%0.6123%0.226SC*.SBendtrans-89.9-31.8-180-62.9-60.1000113.3T99 T103 K107T99-F101 PolarHBondContact O-N 3.12Å; T99-F101 PolarHBondContact OG1-N 3.3Å; F101-T103 VanDerWaalsContact C-N 3.35Å; F101-T103 PolarHBondContact O-N 2.9Å; F101-K107 WeakPolarHBondContact O-CD 3.48Å; F101-K107 PolarHBondContact O-NZ 3.1Å; F101-K107 VanDerWaalsContact O-NZ 3.17Å
102Y97.6Very high97.5Very high37 Ų3742.4 Ų42.415%0.14522%0.219CC..SBendtrans-97.939.8-179-65.8-87.7000112.8P79 A81 S104 K107 A110P79-Y102 PolarHBondContact O-OH 2.68Å; A81-Y102 HydrophobicContact CB-CD1 4.28Å; A81-Y102 HydrophobicContact CB-CD2 4.4Å; A81-Y102 HydrophobicContact CB-CE1 3.67Å; A81-Y102 HydrophobicContact CB-CE2 3.81Å; A81-Y102 VanDerWaalsContact CB-CZ 3.41Å; A81-Y102 PolarHBondContact N-OH 2.72Å; Y102-S104 PolarHBondContact O-N 2.83Å; Y102-K107 HydrophobicContact CD1-CB 3.87Å; Y102-K107 VanDerWaalsContact CD1-O 3.24Å; Y102-K107 WeakPolarHBondContact CD1-O 3.36Å; Y102-K107 HydrophobicContact CG-CB 4.5Å; Y102-A110 HydrophobicContact CD1-CB 4.37Å; Y102-A110 HydrophobicContact CE1-CB 3.91Å
103T95.8Very high97.4Very high44 Ų4447.5 Ų47.527%0.2725%0.247SC..  trans-85.845.1-172.644.80000114G100 F101 I121 A123 A125G100-T103 WeakPolarHBondContact O-CG2 3.5Å; G100-T103 PolarHBondContact O-OG1 2.89Å; F101-T103 VanDerWaalsContact C-N 3.35Å; F101-T103 PolarHBondContact O-N 2.9Å; T103-I121 HydrophobicContact CG2-CG2 4.18Å; T103-A123 HydrophobicContact CG2-CB 3.83Å; T103-A125 WeakPolarHBondContact O-CA 3.28Å
104S96.5Very high97.5Very high29 Ų2946.8 Ų46.820%0.20325%0.246CC..SBendtrans-159.2159.4170.164.70000109.9Y102 E106 K107 A108Y102-S104 PolarHBondContact O-N 2.83Å; S104-E106 PolarHBondContact O-N 3.45Å; S104-K107 PolarHBondContact O-N 2.78Å; S104-K107 WeakPolarHBondContact OG-CG 3.1Å; S104-K107 PolarHBondContact OG-N 2.94Å; S104-A108 VanDerWaalsContact O-CB 3.28Å; S104-A108 WeakPolarHBondContact O-CB 3.39Å; S104-A108 PolarHBondContact O-N 3.16Å
105E95.5Very high97.5Very high112 Ų11248.6 Ų48.652%0.52327%0.265SS..Hα-helixtrans-55-49.5174.4-172.7175.1-166.600111.9K107 A108 Q109 M128 I146E105-K107 VanDerWaalsContact C-N 3.29Å; E105-K107 PolarHBondContact O-N 2.96Å; E105-A108 PolarHBondContact O-N 3.15Å; E105-Q109 PolarHBondContact O-N 3.22Å; E105-M128 HydrophobicContact CB-CE 3.96Å; E105-M128 HydrophobicContact CB-SD 4.31Å; E105-M128 HydrophobicContact CG-CE 4.32Å; E105-I146 HydrophobicContact CG-CD1 4.31Å
106E97.1Very high97.4Very high174 Ų17448.8 Ų48.881%0.81327%0.267SS*.Hα-helixtrans-55.7-41.6178.7-176.8-172.7175.400112.7S104 Q109S104-E106 PolarHBondContact O-N 3.45Å; E106-Q109 WeakPolarHBondContact O-CB 3.39Å
107K98.1Very high97.3Very high105 Ų10555.1 Ų55.146%0.45729%0.294SS..Hα-helixtrans-76.4-48.6-180-69-178179.8179.30110.8F101 Y102 S104 E105 Q109 A110F101-K107 WeakPolarHBondContact O-CD 3.48Å; F101-K107 PolarHBondContact O-NZ 3.1Å; F101-K107 VanDerWaalsContact O-NZ 3.17Å; Y102-K107 HydrophobicContact CD1-CB 3.87Å; Y102-K107 VanDerWaalsContact CD1-O 3.24Å; Y102-K107 WeakPolarHBondContact CD1-O 3.36Å; Y102-K107 HydrophobicContact CG-CB 4.5Å; S104-K107 PolarHBondContact O-N 2.78Å; S104-K107 WeakPolarHBondContact OG-CG 3.1Å; S104-K107 PolarHBondContact OG-N 2.94Å; E105-K107 VanDerWaalsContact C-N 3.29Å; E105-K107 PolarHBondContact O-N 2.96Å; K107-Q109 PolarHBondContact O-N 3.01Å; K107-Q109 VanDerWaalsContact O-N 3.14Å; K107-A110 VanDerWaalsContact O-CB 3.25Å; K107-A110 WeakPolarHBondContact O-CB 3.17Å; K107-A110 PolarHBondContact O-N 3.16Å
108A98.1Very high97.3Very high0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-62.8-18.9-178.700000112.9S104 E105 A110 H111 V119 I121 I146S104-A108 VanDerWaalsContact O-CB 3.28Å; S104-A108 WeakPolarHBondContact O-CB 3.39Å; S104-A108 PolarHBondContact O-N 3.16Å; E105-A108 PolarHBondContact O-N 3.15Å; A108-A110 PolarHBondContact O-N 3.03Å; A108-A110 VanDerWaalsContact O-N 3.12Å; A108-H111 WeakPolarHBondContact O-CB 3.28Å; A108-H111 PolarHBondContact O-N 2.8Å; A108-V119 HydrophobicContact CB-CG1 4.31Å; A108-I121 HydrophobicContact CB-CD1 3.78Å; A108-I121 HydrophobicContact CB-CG1 4.2Å; A108-I146 HydrophobicContact CB-CD1 4.13Å; A108-I146 HydrophobicContact CB-CG2 3.65Å
109Q98.1Very high97.3Very high70 Ų7055.7 Ų55.733%0.32729%0.293SS..Hα-helixtrans-51.4-29.6168.6-174.456.746.600112.6E105 E106 K107 H111 I112 D113 I146E105-Q109 PolarHBondContact O-N 3.22Å; E106-Q109 WeakPolarHBondContact O-CB 3.39Å; K107-Q109 PolarHBondContact O-N 3.01Å; K107-Q109 VanDerWaalsContact O-N 3.14Å; Q109-H111 PolarHBondContact O-N 3.35Å; Q109-H111 VanDerWaalsContact O-N 3.16Å; Q109-I112 WeakPolarHBondContact O-CA 3.29Å; Q109-I112 WeakPolarHBondContact O-CB 3.38Å; Q109-I112 PolarHBondContact O-N 3.12Å; Q109-D113 PolarHBondContact NE2-OD1 2.98Å; Q109-D113 VanDerWaalsContact O-CG 3.24Å; Q109-D113 PolarHBondContact O-N 2.91Å; Q109-I146 HydrophobicContact CB-CD1 4.47Å
110A98.6Very high97.3Very high14 Ų1454 Ų5412%0.11628%0.283CS..Hα-helixtrans-53.6-36174.400000113.1A81 S82 Y102 K107 A108 D113 A114A81-A110 HydrophobicContact CB-CB 3.91Å; S82-A110 VanDerWaalsContact CA-O 3.28Å; S82-A110 WeakPolarHBondContact CA-O 3.43Å; Y102-A110 HydrophobicContact CD1-CB 4.37Å; Y102-A110 HydrophobicContact CE1-CB 3.91Å; K107-A110 VanDerWaalsContact O-CB 3.25Å; K107-A110 WeakPolarHBondContact O-CB 3.17Å; K107-A110 PolarHBondContact O-N 3.16Å; A108-A110 PolarHBondContact O-N 3.03Å; A108-A110 VanDerWaalsContact O-N 3.12Å; A110-D113 PolarHBondContact O-N 2.92Å; A110-A114 PolarHBondContact O-N 3.49Å; A110-A114 VanDerWaalsContact O-N 3.07Å
111H98.7Very high97.5Very high0 Ų052 Ų520%026%0.262CS..Hα-helixtrans-68.9-41176-68.5-64.2000112.1N8 A81 W86 E97 A108 Q109 D113 A114 G115 V116 V119N8-H111 PolarHBondContact ND2-CE1 3.42Å; A81-H111 VanDerWaalsContact CB-CE1 3.45Å; A81-H111 WeakPolarHBondContact CB-CE1 3.28Å; W86-H111 AromaticContact CZ2-ND1 3.8Å; E97-H111 IonicContact OE2-CD2 3.01Å; E97-H111 IonicContact OE2-CE1 2.69Å; E97-H111 IonicContact OE2-NE2 3.56Å; E97-H111 PolarHBondContact OE2-NE2 3.17Å; A108-H111 WeakPolarHBondContact O-CB 3.28Å; A108-H111 PolarHBondContact O-N 2.8Å; Q109-H111 PolarHBondContact O-N 3.35Å; Q109-H111 VanDerWaalsContact O-N 3.16Å; H111-D113 VanDerWaalsContact C-N 3.29Å; H111-D113 PolarHBondContact O-N 2.84Å; H111-A114 WeakPolarHBondContact O-CB 3.34Å; H111-A114 PolarHBondContact O-N 3.37Å; H111-A114 VanDerWaalsContact O-N 3.16Å; H111-G115 PolarHBondContact O-N 3.22Å; H111-V116 HydrophobicContact CB-CB 4.32Å; H111-V116 HydrophobicContact CB-CG2 4.29Å; H111-V116 WeakPolarHBondContact O-CB 3.41Å; H111-V116 VanDerWaalsContact O-CG2 3.26Å; H111-V116 WeakPolarHBondContact O-CG2 3.46Å; H111-V116 PolarHBondContact O-N 2.79Å; H111-V116 VanDerWaalsContact O-N 3.11Å; H111-V119 HydrophobicContact CB-CG2 3.67Å
112I98.2Very high97.6Very high27 Ų2746.2 Ų46.214%0.13824%0.239CC..Hα-helixtrans-64.1-39.4176-56.8-59.6000110Q109 A114 G115 V116 V119 K145 I146Q109-I112 WeakPolarHBondContact O-CA 3.29Å; Q109-I112 WeakPolarHBondContact O-CB 3.38Å; Q109-I112 PolarHBondContact O-N 3.12Å; I112-A114 PolarHBondContact O-N 2.78Å; I112-G115 WeakPolarHBondContact O-CA 3.44Å; I112-G115 PolarHBondContact O-N 3.12Å; I112-V116 VanDerWaalsContact CD1-O 3.24Å; I112-V116 WeakPolarHBondContact CD1-O 3.43Å; I112-V119 HydrophobicContact CD1-CG2 3.83Å; I112-V119 HydrophobicContact CG1-CG2 4.3Å; I112-K145 HydrophobicContact CD1-CB 4.31Å; I112-I146 HydrophobicContact CD1-CG1 4.37Å; I112-I146 HydrophobicContact CG1-CD1 3.98Å; I112-I146 HydrophobicContact CG1-CG1 4.03Å
113D97.4Very high97.5Very high110 Ų11045.5 Ų45.559%0.58824%0.241SC*.Hα-helixtrans-64.9-29.2176-61.5-15.5000112Q109 A110 H111 G115Q109-D113 PolarHBondContact NE2-OD1 2.98Å; Q109-D113 VanDerWaalsContact O-CG 3.24Å; Q109-D113 PolarHBondContact O-N 2.91Å; A110-D113 PolarHBondContact O-N 2.92Å; H111-D113 VanDerWaalsContact C-N 3.29Å; H111-D113 PolarHBondContact O-N 2.84Å; D113-G115 PolarHBondContact O-N 3.19Å
114A97.7Very high97.5Very high21 Ų2146.8 Ų46.817%0.17425%0.25CS..THydrogen-bonded Turntrans-75.2-1.9169.900000113.9V87 A110 H111 I112V87-A114 WeakPolarHBondContact CG2-O 3.31Å; A110-A114 PolarHBondContact O-N 3.49Å; A110-A114 VanDerWaalsContact O-N 3.07Å; H111-A114 WeakPolarHBondContact O-CB 3.34Å; H111-A114 PolarHBondContact O-N 3.37Å; H111-A114 VanDerWaalsContact O-N 3.16Å; I112-A114 PolarHBondContact O-N 2.78Å
115G97.5Very high97.4Very high41 Ų4145.7 Ų45.742%0.42324%0.242SC..THydrogen-bonded Turntrans98.54.9176.400000115.3H111 I112 D113H111-G115 PolarHBondContact O-N 3.22Å; I112-G115 WeakPolarHBondContact O-CA 3.44Å; I112-G115 PolarHBondContact O-N 3.12Å; D113-G115 PolarHBondContact O-N 3.19Å
116V97.6Very high97.1Very high4 Ų442.7 Ų42.72%0.02424%0.242CC..  trans-68.1142.2177.4178.20000109.2V87 V92 V95 H111 I112 R118 V119V87-V116 HydrophobicContact CG2-CB 4.44Å; V87-V116 HydrophobicContact CG2-CG2 3.63Å; V92-V116 HydrophobicContact CG1-CG2 4.35Å; V95-V116 HydrophobicContact CB-CG1 4.06Å; V95-V116 HydrophobicContact CG2-CB 4.18Å; V95-V116 HydrophobicContact CG2-CG1 3.55Å; V95-V116 HydrophobicContact CG2-CG2 3.6Å; H111-V116 HydrophobicContact CB-CB 4.32Å; H111-V116 HydrophobicContact CB-CG2 4.29Å; H111-V116 WeakPolarHBondContact O-CB 3.41Å; H111-V116 VanDerWaalsContact O-CG2 3.26Å; H111-V116 WeakPolarHBondContact O-CG2 3.46Å; H111-V116 PolarHBondContact O-N 2.79Å; H111-V116 VanDerWaalsContact O-N 3.11Å; I112-V116 VanDerWaalsContact CD1-O 3.24Å; I112-V116 WeakPolarHBondContact CD1-O 3.43Å; V116-R118 WeakPolarHBondContact CG1-O 3.16Å; V116-V119 HydrophobicContact CG1-CG2 4.33Å
117K96.3Very high96.8Very high133 Ų13342.7 Ų42.758%0.57824%0.242SC*.SBendtrans-81.6-41.9-177.7-59.8170.6-179.3162.50112.2D93D93-K117 HydrophobicContact CB-CD 4.45Å; D93-K117 WeakPolarHBondContact O-CB 3.5Å; D93-K117 PolarHBondContact O-N 2.9Å; D93-K117 WeakPolarHBondContact OD1-CE 3.23Å; D93-K117 IonicContact OD1-NZ 2.72Å; D93-K117 PolarHBondContact OD1-NZ 2.87Å
118R97.4Very high96.5Very high32 Ų3238.5 Ų38.512%0.12122%0.224CC..EExtended strand (participates in β ladder)trans-140.1149.9-174.1-64.9-176-168.5-81.84.5111.8D93 I94 V95 V116 S142 D144 K145 F333 L336D93-R118 PolarHBondContact O-N 2.84Å; I94-R118 WeakPolarHBondContact CA-O 3.4Å; I94-R118 HydrophobicContact CB-CB 4.46Å; I94-R118 HydrophobicContact CD1-CB 3.93Å; I94-R118 HydrophobicContact CG1-CB 3.87Å; I94-R118 WeakPolarHBondContact CG1-O 3.46Å; V95-R118 PolarHBondContact N-O 2.8Å; V116-R118 WeakPolarHBondContact CG1-O 3.16Å; R118-S142 PolarHBondContact NH1-O 2.91Å; R118-S142 PolarHBondContact NH2-O 2.69Å; R118-D144 PolarHBondContact NH1-O 3.46Å; R118-K145 CarbonylContact C-O 3.52Å; R118-K145 VanDerWaalsContact CA-O 3.24Å; R118-K145 WeakPolarHBondContact CA-O 3.38Å; R118-F333 HydrophobicContact CB-CD1 4.1Å; R118-F333 HydrophobicContact CB-CE1 3.65Å; R118-F333 HydrophobicContact CB-CZ 3.97Å; R118-F333 VanDerWaalsContact CD-O 3.32Å; R118-F333 WeakPolarHBondContact CD-O 3.39Å; R118-F333 HydrophobicContact CG-CE1 4.1Å; R118-F333 HydrophobicContact CG-CE2 4.26Å; R118-F333 HydrophobicContact CG-CZ 3.93Å; R118-F333 PolarHBondContact NE-O 2.72Å; R118-F333 VanDerWaalsContact NH1-CE2 3.28Å; R118-L336 VanDerWaalsContact NH2-C 3.32Å; R118-L336 PolarHBondContact NH2-OXT 3.47Å
119V98.2Very high96.5Very high0 Ų041.5 Ų41.50%024%0.237CC..EExtended strand (participates in β ladder)trans-135.4130.2-179.4-174.90000110.2V95 E97 A108 H111 I112 V116 I121 K145 I146 I147V95-V119 HydrophobicContact CB-CG2 4.5Å; V95-V119 WeakPolarHBondContact O-CA 3.39Å; E97-V119 HydrophobicContact CB-CG1 4.11Å; A108-V119 HydrophobicContact CB-CG1 4.31Å; H111-V119 HydrophobicContact CB-CG2 3.67Å; I112-V119 HydrophobicContact CD1-CG2 3.83Å; I112-V119 HydrophobicContact CG1-CG2 4.3Å; V116-V119 HydrophobicContact CG1-CG2 4.33Å; V119-I121 HydrophobicContact CG1-CG1 4.37Å; V119-K145 PolarHBondContact N-O 2.87Å; V119-I146 HydrophobicContact CB-CG1 4.3Å; V119-I146 HydrophobicContact CB-CG2 4.16Å; V119-I146 HydrophobicContact CG1-CG2 4.43Å; V119-I146 HydrophobicContact CG2-CG1 4.42Å; V119-I146 WeakPolarHBondContact O-CA 3.36Å; V119-I147 PolarHBondContact O-N 3.08Å
120V98.4Very high96.4Very high0 Ų038.6 Ų38.60%022%0.224CC..EExtended strand (participates in β ladder)trans-110.5115.2170.3-177.50000108.6I94 V95 L96 E97 I147 A149 L329 L330 F333I94-V120 HydrophobicContact CD1-CG2 4.31Å; V95-V120 PolarHBondContact O-N 2.7Å; L96-V120 HydrophobicContact CD1-CB 4.02Å; L96-V120 HydrophobicContact CD1-CG1 4.01Å; E97-V120 PolarHBondContact N-O 3.02Å; V120-I147 HydrophobicContact CG2-CD1 4.14Å; V120-I147 HydrophobicContact CG2-CG1 4.06Å; V120-A149 HydrophobicContact CG1-CB 4.2Å; V120-L329 HydrophobicContact CG1-CD2 3.97Å; V120-L330 HydrophobicContact CB-CD1 4.38Å; V120-L330 HydrophobicContact CG2-CD1 3.8Å; V120-F333 HydrophobicContact CG2-CD1 3.68Å; V120-F333 HydrophobicContact CG2-CE1 4.2Å
121I98.5Very high96.4Very high0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-86.6124.1177.5-56170.8000109.2T103 A108 V119 A123 A125 M128 I146 I147 A149T103-I121 HydrophobicContact CG2-CG2 4.18Å; A108-I121 HydrophobicContact CB-CD1 3.78Å; A108-I121 HydrophobicContact CB-CG1 4.2Å; V119-I121 HydrophobicContact CG1-CG1 4.37Å; I121-A123 HydrophobicContact CG2-CB 4.4Å; I121-A123 PolarHBondContact O-N 2.94Å; I121-A125 HydrophobicContact CB-CB 4.43Å; I121-A125 HydrophobicContact CD1-CB 3.64Å; I121-A125 HydrophobicContact CG2-CB 4.15Å; I121-M128 HydrophobicContact CD1-CE 4.49Å; I121-M128 HydrophobicContact CD1-SD 4.11Å; I121-I146 HydrophobicContact CD1-CG2 3.82Å; I121-I146 HydrophobicContact CG1-CG2 4.25Å; I121-I147 PolarHBondContact N-O 3.08Å; I121-A149 PolarHBondContact O-N 3Å
122S98Very high96.4Very high18 Ų1838 Ų3813%0.12622%0.219CC..SBendtrans-79.732.2-178.480.30000114.2E97 C98 M326E97-S122 WeakPolarHBondContact O-CB 3.3Å; E97-S122 PolarHBondContact O-N 3.36Å; E97-S122 PolarHBondContact O-OG 2.89Å; C98-S122 WeakPolarHBondContact CA-OG 3.5Å; C98-S122 PolarHBondContact SG-OG 2.87Å; S122-M326 WeakPolarHBondContact CB-SD 3.46Å
123A96.2Very high96.4Very high22 Ų2239.1 Ų39.118%0.18222%0.222CC..SBendtrans-160.9162.5-177.100000111T103 I121 A125 S148 G150T103-A123 HydrophobicContact CG2-CB 3.83Å; I121-A123 HydrophobicContact CG2-CB 4.4Å; I121-A123 PolarHBondContact O-N 2.94Å; A123-A125 PolarHBondContact O-N 3.4Å; A123-S148 PolarHBondContact O-OG 3.27Å; A123-G150 CarbonylContact C-O 3.56Å; A123-G150 WeakPolarHBondContact CA-O 3.12Å; A123-G150 PolarHBondContact N-O 3.24Å
124P94.9Very high96.5Very high71 Ų7136.4 Ų36.446%0.46121%0.207SC..  trans-57131.5167-22.534.3000110.8G150P124-G150 WeakPolarHBondContact CD-O 3.33Å
125A95.3Very high96.5Very high5 Ų536 Ų364%0.04120%0.202CC..  trans-130.333.7-169.700000114T103 I121 A123 M128T103-A125 WeakPolarHBondContact O-CA 3.28Å; I121-A125 HydrophobicContact CB-CB 4.43Å; I121-A125 HydrophobicContact CD1-CB 3.64Å; I121-A125 HydrophobicContact CG2-CB 4.15Å; A123-A125 PolarHBondContact O-N 3.4Å; A125-M128 HydrophobicContact CB-CG 4.3Å; A125-M128 HydrophobicContact CB-SD 3.44Å; A125-M128 WeakPolarHBondContact CB-SD 3.39Å
126G89.2Confident96.5Very high49 Ų4934.5 Ų34.551%0.50519%0.185SC..SBendtrans89.2-151.6178.700000113.3M128 L220G126-M128 VanDerWaalsContact C-N 3.31Å; G126-M128 PolarHBondContact O-N 3.06Å; G126-L220 WeakPolarHBondContact O-CD1 3.22Å
127Q89.9Confident96.5Very high174 Ų17435 Ų3581%0.81319%0.187SC*.SBendtrans-88.169.7-180-65.5-65.6-66.100109.9
128M93.4Very high96.6Very high17 Ų1734.5 Ų34.58%0.08419%0.191CC..SBendtrans-132.5167.5175.471.6-172.8-56.400110.9E105 I121 A125 G126 T130 I146E105-M128 HydrophobicContact CB-CE 3.96Å; E105-M128 HydrophobicContact CB-SD 4.31Å; E105-M128 HydrophobicContact CG-CE 4.32Å; I121-M128 HydrophobicContact CD1-CE 4.49Å; I121-M128 HydrophobicContact CD1-SD 4.11Å; A125-M128 HydrophobicContact CB-CG 4.3Å; A125-M128 HydrophobicContact CB-SD 3.44Å; A125-M128 WeakPolarHBondContact CB-SD 3.39Å; G126-M128 VanDerWaalsContact C-N 3.31Å; G126-M128 PolarHBondContact O-N 3.06Å; M128-T130 PolarHBondContact O-N 3.46Å; M128-T130 PolarHBondContact O-OG1 3.35Å; M128-I146 HydrophobicContact CE-CB 3.92Å; M128-I146 HydrophobicContact CE-CG2 3.6Å; M128-I146 WeakPolarHBondContact CE-O 3.47Å
129K96.3Very high96.5Very high64 Ų6436.1 Ų36.128%0.27820%0.204SC..  trans-55.6114.8178.9-167.7176.9-72.8-179.90109.1I131 T139 L140 D141 D144 S148K129-I131 HydrophobicContact CD-CD1 4Å; K129-I131 HydrophobicContact CG-CD1 3.72Å; K129-I131 HydrophobicContact CG-CG1 4.33Å; K129-T139 PolarHBondContact NZ-O 3.37Å; K129-L140 HydrophobicContact CD-CD2 4.19Å; K129-D141 IonicContact NZ-OD2 3.64Å; K129-D144 WeakPolarHBondContact CD-OD1 3.36Å; K129-D144 VanDerWaalsContact CE-OD1 3.28Å; K129-D144 WeakPolarHBondContact CE-OD1 3.18Å; K129-D144 IonicContact NZ-OD1 2.65Å; K129-D144 PolarHBondContact NZ-OD1 3.46Å; K129-D144 IonicContact NZ-OD2 3.14Å; K129-D144 PolarHBondContact NZ-OD2 3.26Å; K129-S148 PolarHBondContact O-N 3.21Å
130T97.7Very high96.5Very high8 Ų836.8 Ų36.85%0.04921%0.208CC..BIsolated β-bridgetrans-114.7120.9-176.9-60.40000107.4M128 N136 S148 V221M128-T130 PolarHBondContact O-N 3.46Å; M128-T130 PolarHBondContact O-OG1 3.35Å; T130-N136 PolarHBondContact O-ND2 2.98Å; T130-S148 CarbonylContact C-O 3.51Å; T130-S148 WeakPolarHBondContact CA-O 3.47Å; T130-V221 HydrophobicContact CG2-CG2 3.93Å
131I98.3Very high96.4Very high1 Ų139.9 Ų39.91%0.00522%0.224CC..  trans-112.2130.4-171.6-55.6-60000110.4K129 N136 D137 L140 I147 S148 L329K129-I131 HydrophobicContact CD-CD1 4Å; K129-I131 HydrophobicContact CG-CD1 3.72Å; K129-I131 HydrophobicContact CG-CG1 4.33Å; I131-N136 WeakPolarHBondContact CA-OD1 3.24Å; I131-D137 HydrophobicContact CG2-CB 3.61Å; I131-L140 HydrophobicContact CD1-CD2 4.06Å; I131-L140 HydrophobicContact CD1-CG 4.01Å; I131-L140 HydrophobicContact CG1-CD1 4.39Å; I131-L140 HydrophobicContact CG1-CD2 3.83Å; I131-L140 HydrophobicContact CG1-CG 4.04Å; I131-L140 HydrophobicContact CG2-CD1 4.43Å; I131-I147 HydrophobicContact CG1-CD1 4.36Å; I131-S148 PolarHBondContact N-O 2.98Å; I131-L329 HydrophobicContact CB-CD1 3.93Å; I131-L329 HydrophobicContact CB-CD2 4.08Å; I131-L329 HydrophobicContact CG1-CD1 4.45Å; I131-L329 HydrophobicContact CG2-CD1 3.51Å; I131-L329 HydrophobicContact CG2-CD2 4.33Å
132V98.5Very high96.2Very high0 Ų043.5 Ų43.50%025%0.25CC..  trans-112.3118.4160.9177.70000106.9V135 N136 T154 A158 V221V132-V135 HydrophobicContact CB-CB 4.14Å; V132-V135 HydrophobicContact CB-CG2 4.22Å; V132-V135 HydrophobicContact CG1-CB 4.22Å; V132-V135 HydrophobicContact CG1-CG2 3.75Å; V132-V135 PolarHBondContact O-N 2.81Å; V132-N136 PolarHBondContact N-OD1 2.89Å; V132-N136 PolarHBondContact O-N 2.8Å; V132-N136 PolarHBondContact O-OD1 3.01Å; V132-T154 HydrophobicContact CG2-CG2 3.94Å; V132-A158 HydrophobicContact CB-CB 4.18Å; V132-A158 HydrophobicContact CG1-CB 4.07Å; V132-A158 HydrophobicContact CG2-CB 3.88Å; V132-V221 HydrophobicContact CB-CG1 3.96Å; V132-V221 HydrophobicContact CG2-CG1 3.85Å; V132-V221 HydrophobicContact CG2-CG2 4.07Å
133Y98.4Very high96.1Very high52 Ų5248.8 Ų48.820%0.20428%0.277CS..THydrogen-bonded Turntrans-61.2137.6-179.8-165.1-84.7000111.2V135 D137 S272 Q325 R328 L329 K332Y133-V135 VanDerWaalsContact C-N 3.29Å; Y133-D137 HydrophobicContact CD2-CB 4.28Å; Y133-S272 PolarHBondContact O-OG 3.37Å; Y133-Q325 PolarHBondContact O-NE2 3.43Å; Y133-Q325 VanDerWaalsContact O-NE2 3.09Å; Y133-R328 HydrophobicContact CD1-CB 3.77Å; Y133-R328 HydrophobicContact CD1-CG 4.38Å; Y133-R328 HydrophobicContact CD2-CB 3.7Å; Y133-R328 HydrophobicContact CE1-CB 3.88Å; Y133-R328 HydrophobicContact CE1-CG 4.36Å; Y133-R328 HydrophobicContact CE2-CB 3.78Å; Y133-R328 WeakPolarHBondContact CE2-O 3.44Å; Y133-R328 HydrophobicContact CG-CB 3.68Å; Y133-L329 HydrophobicContact CD2-CB 4.44Å; Y133-K332 HydrophobicContact CE2-CB 3.83Å; Y133-K332 HydrophobicContact CE2-CD 3.95Å
134N98.1Very high96.1Very high52 Ų5248.8 Ų48.828%0.27827%0.274SS..THydrogen-bonded Turntrans63.323.2-168.8-72.8-4.3000115.3D137 N270 P271N134-D137 VanDerWaalsContact CA-OD1 3.31Å; N134-D137 WeakPolarHBondContact CA-OD1 3.48Å; N134-D137 PolarHBondContact N-OD1 2.9Å; N134-N270 PolarHBondContact ND2-OD1 3.3Å; N134-P271 WeakPolarHBondContact ND2-CD 3.46Å
135V98.4Very high96.2Very high13 Ų1351.2 Ų51.28%0.07928%0.277CS..THydrogen-bonded Turntrans-128.1-53.6170.7-179.90000110.9V132 Y133 D137 A158 P159 Y162 V221 I222V132-V135 HydrophobicContact CB-CB 4.14Å; V132-V135 HydrophobicContact CB-CG2 4.22Å; V132-V135 HydrophobicContact CG1-CB 4.22Å; V132-V135 HydrophobicContact CG1-CG2 3.75Å; V132-V135 PolarHBondContact O-N 2.81Å; Y133-V135 VanDerWaalsContact C-N 3.29Å; V135-D137 PolarHBondContact N-OD1 3.45Å; V135-A158 HydrophobicContact CG2-CB 4.39Å; V135-P159 HydrophobicContact CG2-CB 4.06Å; V135-Y162 HydrophobicContact CG1-CD1 4.41Å; V135-Y162 HydrophobicContact CG1-CD2 4.14Å; V135-Y162 HydrophobicContact CG1-CG 3.93Å; V135-V221 HydrophobicContact CB-CG1 4.44Å; V135-V221 HydrophobicContact CG1-CG1 3.89Å; V135-I222 HydrophobicContact CG1-CD1 4.36Å; V135-I222 HydrophobicContact CG1-CG1 4.02Å
136N98.1Very high96.3Very high10 Ų1051.6 Ų51.65%0.05328%0.278CS..THydrogen-bonded Turntrans-141.517.5-17775.7-32.6000113.6T130 I131 V132 D138 T139 V221T130-N136 PolarHBondContact O-ND2 2.98Å; I131-N136 WeakPolarHBondContact CA-OD1 3.24Å; V132-N136 PolarHBondContact N-OD1 2.89Å; V132-N136 PolarHBondContact O-N 2.8Å; V132-N136 PolarHBondContact O-OD1 3.01Å; N136-D138 WeakPolarHBondContact CA-OD1 3.27Å; N136-D138 PolarHBondContact O-N 3.09Å; N136-T139 HydrophobicContact CB-CG2 4.23Å; N136-T139 WeakPolarHBondContact O-CB 3.4Å; N136-T139 WeakPolarHBondContact O-CG2 3.41Å; N136-T139 PolarHBondContact O-N 2.79Å; N136-T139 PolarHBondContact O-OG1 3.38Å; N136-V221 HydrophobicContact CB-CG1 4.4Å; N136-V221 PolarHBondContact ND2-O 2.93Å
137D97.8Very high96.7Very high14 Ų1449.3 Ų49.38%0.07525%0.254CS..G310 helixtrans-70.4-13.5179.558.5-67.1000113.1I131 Y133 N134 V135 T139 L140 K332I131-D137 HydrophobicContact CG2-CB 3.61Å; Y133-D137 HydrophobicContact CD2-CB 4.28Å; N134-D137 VanDerWaalsContact CA-OD1 3.31Å; N134-D137 WeakPolarHBondContact CA-OD1 3.48Å; N134-D137 PolarHBondContact N-OD1 2.9Å; V135-D137 PolarHBondContact N-OD1 3.45Å; D137-T139 PolarHBondContact O-N 3.16Å; D137-L140 HydrophobicContact CB-CD1 4.45Å; D137-L140 WeakPolarHBondContact O-CB 3.37Å; D137-L140 PolarHBondContact O-N 3.44Å; D137-K332 HydrophobicContact CB-CD 4.1Å; D137-K332 WeakPolarHBondContact O-CE 3.25Å; D137-K332 PolarHBondContact O-NZ 2.73Å; D137-K332 VanDerWaalsContact OD2-CD 3.25Å; D137-K332 WeakPolarHBondContact OD2-CD 3.43Å; D137-K332 WeakPolarHBondContact OD2-CE 3.38Å; D137-K332 IonicContact OD2-NZ 3Å; D137-K332 PolarHBondContact OD2-NZ 3.36Å
138D96.9Very high97.1Very high123 Ų12341 Ų4166%0.65822%0.216SC*.G310 helixtrans-65.4-19.7165.867.9-33.8000113.4N136 L140N136-D138 WeakPolarHBondContact CA-OD1 3.27Å; N136-D138 PolarHBondContact O-N 3.09Å; D138-L140 PolarHBondContact O-N 3.02Å
139T97Very high97.3Very high65 Ų6540.3 Ų40.340%0.39921%0.212SC..G310 helixtrans-75.9-6.5174.871.50000113.7K129 N136 D137K129-T139 PolarHBondContact NZ-O 3.37Å; N136-T139 HydrophobicContact CB-CG2 4.23Å; N136-T139 WeakPolarHBondContact O-CB 3.4Å; N136-T139 WeakPolarHBondContact O-CG2 3.41Å; N136-T139 PolarHBondContact O-N 2.79Å; N136-T139 PolarHBondContact O-OG1 3.38Å; D137-T139 PolarHBondContact O-N 3.16Å
140L97.1Very high97.3Very high14 Ų1437.3 Ų37.37%0.07320%0.2CC..  trans-72.4140.6175.6-73.6170000111.7K129 I131 D137 D138 D144 I147 L329 F333 L336K129-L140 HydrophobicContact CD-CD2 4.19Å; I131-L140 HydrophobicContact CD1-CD2 4.06Å; I131-L140 HydrophobicContact CD1-CG 4.01Å; I131-L140 HydrophobicContact CG1-CD1 4.39Å; I131-L140 HydrophobicContact CG1-CD2 3.83Å; I131-L140 HydrophobicContact CG1-CG 4.04Å; I131-L140 HydrophobicContact CG2-CD1 4.43Å; D137-L140 HydrophobicContact CB-CD1 4.45Å; D137-L140 WeakPolarHBondContact O-CB 3.37Å; D137-L140 PolarHBondContact O-N 3.44Å; D138-L140 PolarHBondContact O-N 3.02Å; L140-D144 WeakPolarHBondContact CA-OD2 3.49Å; L140-D144 HydrophobicContact CD2-CB 4.34Å; L140-I147 HydrophobicContact CD2-CD1 3.93Å; L140-I147 HydrophobicContact CD2-CG2 3.99Å; L140-L329 HydrophobicContact CD1-CD1 3.69Å; L140-F333 HydrophobicContact CD2-CD2 4.4Å; L140-F333 HydrophobicContact CD2-CE2 4.39Å; L140-L336 HydrophobicContact CB-CD1 3.6Å; L140-L336 HydrophobicContact CD1-CD1 4.49Å
141D95.7Very high97.3Very high65 Ų6537.8 Ų37.835%0.34820%0.204SC..  trans-137.6171.217473.970.5000112.5K129 N143 D144K129-D141 IonicContact NZ-OD2 3.64Å; D141-N143 PolarHBondContact O-N 3.01Å; D141-N143 VanDerWaalsContact O-N 3.1Å; D141-N143 WeakPolarHBondContact OD1-CA 3.42Å; D141-N143 WeakPolarHBondContact OD1-CB 3.13Å; D141-N143 PolarHBondContact OD1-N 2.84Å; D141-N143 PolarHBondContact OD1-ND2 3.44Å; D141-D144 PolarHBondContact N-OD2 3.07Å; D141-D144 WeakPolarHBondContact O-CB 3.27Å; D141-D144 PolarHBondContact O-N 2.78Å; D141-D144 VanDerWaalsContact O-N 3.12Å
142S94.4Very high97.3Very high77 Ų7739.1 Ų39.154%0.53821%0.212SC..THydrogen-bonded Turntrans-62.3-19.9-174.560.10000113.9R118R118-S142 PolarHBondContact NH1-O 2.91Å; R118-S142 PolarHBondContact NH2-O 2.69Å
143N95.7Very high97.3Very high128 Ų12839.4 Ų39.468%0.68421%0.214SC*.THydrogen-bonded Turntrans-83.2-16.1179.5-53-65.9000113.2D141 K145D141-N143 PolarHBondContact O-N 3.01Å; D141-N143 VanDerWaalsContact O-N 3.1Å; D141-N143 WeakPolarHBondContact OD1-CA 3.42Å; D141-N143 WeakPolarHBondContact OD1-CB 3.13Å; D141-N143 PolarHBondContact OD1-N 2.84Å; D141-N143 PolarHBondContact OD1-ND2 3.44Å; N143-K145 PolarHBondContact O-N 3.39Å
144D97Very high97.2Very high23 Ų2337.1 Ų37.112%0.12321%0.206CC..  trans-64.9118.9177.8-69.4-50.2000109.8R118 K129 L140 D141 I147 F333R118-D144 PolarHBondContact NH1-O 3.46Å; K129-D144 WeakPolarHBondContact CD-OD1 3.36Å; K129-D144 VanDerWaalsContact CE-OD1 3.28Å; K129-D144 WeakPolarHBondContact CE-OD1 3.18Å; K129-D144 IonicContact NZ-OD1 2.65Å; K129-D144 PolarHBondContact NZ-OD1 3.46Å; K129-D144 IonicContact NZ-OD2 3.14Å; K129-D144 PolarHBondContact NZ-OD2 3.26Å; L140-D144 WeakPolarHBondContact CA-OD2 3.49Å; L140-D144 HydrophobicContact CD2-CB 4.34Å; D141-D144 PolarHBondContact N-OD2 3.07Å; D141-D144 WeakPolarHBondContact O-CB 3.27Å; D141-D144 PolarHBondContact O-N 2.78Å; D141-D144 VanDerWaalsContact O-N 3.12Å; D144-I147 HydrophobicContact CB-CG2 4.05Å; D144-F333 HydrophobicContact CB-CE2 3.73Å; D144-F333 HydrophobicContact CB-CZ 4.01Å; D144-F333 WeakPolarHBondContact O-CE2 3.28Å; D144-F333 WeakPolarHBondContact O-CZ 3.27Å
145K97.1Very high97.3Very high122 Ų12234.8 Ų34.853%0.5319%0.193SC..  trans-107.2-36.7178.1-67.3-174.3-178.4-178.60112.9I112 R118 V119 N143I112-K145 HydrophobicContact CD1-CB 4.31Å; R118-K145 CarbonylContact C-O 3.52Å; R118-K145 VanDerWaalsContact CA-O 3.24Å; R118-K145 WeakPolarHBondContact CA-O 3.38Å; V119-K145 PolarHBondContact N-O 2.87Å; N143-K145 PolarHBondContact O-N 3.39Å
146I97.8Very high97.3Very high13 Ų1334.1 Ų34.17%0.06719%0.189CC..EExtended strand (participates in β ladder)trans-130.1123.4-178.3-50178.2000106.6E105 A108 Q109 I112 V119 I121 M128E105-I146 HydrophobicContact CG-CD1 4.31Å; A108-I146 HydrophobicContact CB-CD1 4.13Å; A108-I146 HydrophobicContact CB-CG2 3.65Å; Q109-I146 HydrophobicContact CB-CD1 4.47Å; I112-I146 HydrophobicContact CD1-CG1 4.37Å; I112-I146 HydrophobicContact CG1-CD1 3.98Å; I112-I146 HydrophobicContact CG1-CG1 4.03Å; V119-I146 HydrophobicContact CB-CG1 4.3Å; V119-I146 HydrophobicContact CB-CG2 4.16Å; V119-I146 HydrophobicContact CG1-CG2 4.43Å; V119-I146 HydrophobicContact CG2-CG1 4.42Å; V119-I146 WeakPolarHBondContact O-CA 3.36Å; I121-I146 HydrophobicContact CD1-CG2 3.82Å; I121-I146 HydrophobicContact CG1-CG2 4.25Å; M128-I146 HydrophobicContact CE-CB 3.92Å; M128-I146 HydrophobicContact CE-CG2 3.6Å; M128-I146 WeakPolarHBondContact CE-O 3.47Å
147I97.8Very high97.3Very high0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-130.9157179.164.3175.5000110.7V119 V120 I121 I131 L140 D144 L329 F333V119-I147 PolarHBondContact O-N 3.08Å; V120-I147 HydrophobicContact CG2-CD1 4.14Å; V120-I147 HydrophobicContact CG2-CG1 4.06Å; I121-I147 PolarHBondContact N-O 3.08Å; I131-I147 HydrophobicContact CG1-CD1 4.36Å; L140-I147 HydrophobicContact CD2-CD1 3.93Å; L140-I147 HydrophobicContact CD2-CG2 3.99Å; D144-I147 HydrophobicContact CB-CG2 4.05Å; I147-L329 HydrophobicContact CD1-CD1 3.84Å; I147-L329 HydrophobicContact CD1-CD2 3.97Å; I147-L329 HydrophobicContact CD1-CG 4.03Å; I147-F333 HydrophobicContact CD1-CD1 3.58Å; I147-F333 HydrophobicContact CD1-CD2 4.41Å; I147-F333 HydrophobicContact CD1-CE1 3.66Å; I147-F333 HydrophobicContact CD1-CE2 4.48Å; I147-F333 HydrophobicContact CD1-CG 3.99Å; I147-F333 HydrophobicContact CD1-CZ 4.12Å; I147-F333 HydrophobicContact CG1-CD1 4.06Å; I147-F333 HydrophobicContact CG1-CE1 3.7Å; I147-F333 HydrophobicContact CG1-CZ 4.23Å; I147-F333 HydrophobicContact CG2-CE1 4.33Å; I147-F333 HydrophobicContact CG2-CZ 4Å
148S97.9Very high97.3Very high0 Ų033 Ų330%018%0.183CC..EExtended strand (participates in β ladder)trans-100.8136.7171.7177.10000110.3A123 K129 T130 I131 G150A123-S148 PolarHBondContact O-OG 3.27Å; K129-S148 PolarHBondContact O-N 3.21Å; T130-S148 CarbonylContact C-O 3.51Å; T130-S148 WeakPolarHBondContact CA-O 3.47Å; I131-S148 PolarHBondContact N-O 2.98Å; S148-G150 PolarHBondContact O-N 3.04Å; S148-G150 PolarHBondContact OG-N 3Å
149A98Very high97.4Very high2 Ų227.4 Ų27.42%0.01715%0.153CC..  trans-825.8167.800000113V120 I121 N155 F322 M326 L329V120-A149 HydrophobicContact CG1-CB 4.2Å; I121-A149 PolarHBondContact O-N 3Å; A149-N155 PolarHBondContact O-ND2 3.28Å; A149-F322 HydrophobicContact CB-CE2 4.14Å; A149-F322 HydrophobicContact CB-CZ 4.26Å; A149-M326 HydrophobicContact CB-CG 3.73Å; A149-M326 HydrophobicContact CB-SD 4.03Å; A149-L329 HydrophobicContact CB-CD2 4.12Å
150G96.6Very high97.5Very high1 Ų124.3 Ų24.31%0.0113%0.134CC..  trans66.5-149-171.600000112A123 P124 S148A123-G150 CarbonylContact C-O 3.56Å; A123-G150 WeakPolarHBondContact CA-O 3.12Å; A123-G150 PolarHBondContact N-O 3.24Å; P124-G150 WeakPolarHBondContact CD-O 3.33Å; S148-G150 PolarHBondContact O-N 3.04Å; S148-G150 PolarHBondContact OG-N 3Å
151S97Very high97.5Very high19 Ų1923.6 Ų23.613%0.13313%0.131CC..  trans-111.7168.4174.267.60000111.6T153 T154 N155S151-T153 VanDerWaalsContact C-N 3.31Å; S151-T153 PolarHBondContact O-N 3.02Å; S151-T154 PolarHBondContact N-OG1 3.18Å; S151-T154 WeakPolarHBondContact O-CB 3.26Å; S151-T154 PolarHBondContact O-N 3.33Å; S151-T154 VanDerWaalsContact O-N 3.07Å; S151-T154 PolarHBondContact OG-N 2.81Å; S151-T154 PolarHBondContact OG-OG1 3.18Å; S151-N155 PolarHBondContact O-N 2.97Å; S151-N155 PolarHBondContact O-ND2 3.1Å
152C97.8Very high97.7Very high28 Ų2823.5 Ų23.519%0.18913%0.126CC..Hα-helixtrans-51.4-49.2168.352.40000111.8T154 N155 C156 Y316 N318 F322C152-T154 VanDerWaalsContact C-N 3.31Å; C152-T154 PolarHBondContact O-N 3.49Å; C152-N155 PolarHBondContact O-N 2.68Å; C152-N155 VanDerWaalsContact O-N 3.16Å; C152-C156 PolarHBondContact O-N 3.1Å; C152-C156 VanDerWaalsContact O-N 3.09Å; C152-Y316 HydrophobicContact CB-CE2 4.17Å; C152-N318 HydrophobicContact CB-CB 4.07Å; C152-N318 VanDerWaalsContact CB-O 3.26Å; C152-N318 WeakPolarHBondContact CB-O 3.47Å; C152-F322 HydrophobicContact CB-CB 3.97Å; C152-F322 HydrophobicContact CB-CD1 4.5Å; C152-F322 HydrophobicContact CB-CG 4.09Å
153T98.3Very high97.9Very high7 Ų720.8 Ų20.84%0.04310%0.104CC..Hα-helixtrans-65.1-32.7176.9-470000112.6S151 N155 C156 L157 M175 T177 A214 Y316S151-T153 VanDerWaalsContact C-N 3.31Å; S151-T153 PolarHBondContact O-N 3.02Å; T153-N155 VanDerWaalsContact C-N 3.34Å; T153-C156 PolarHBondContact O-N 2.87Å; T153-L157 WeakPolarHBondContact O-CB 3.11Å; T153-L157 PolarHBondContact O-N 2.64Å; T153-M175 HydrophobicContact CG2-CE 4.02Å; T153-M175 HydrophobicContact CG2-SD 3.95Å; T153-T177 HydrophobicContact CG2-CG2 3.86Å; T153-A214 HydrophobicContact CG2-CB 3.86Å; T153-Y316 PolarHBondContact OG1-OH 3.4Å
154T97.7Very high98Very high3 Ų314.7 Ų14.72%0.0187%0.072CC..Hα-helixtrans-62.7-43.2173.9-53.30000110.8V132 S151 C152 C156 L157 A158 V221V132-T154 HydrophobicContact CG2-CG2 3.94Å; S151-T154 PolarHBondContact N-OG1 3.18Å; S151-T154 WeakPolarHBondContact O-CB 3.26Å; S151-T154 PolarHBondContact O-N 3.33Å; S151-T154 VanDerWaalsContact O-N 3.07Å; S151-T154 PolarHBondContact OG-N 2.81Å; S151-T154 PolarHBondContact OG-OG1 3.18Å; C152-T154 VanDerWaalsContact C-N 3.31Å; C152-T154 PolarHBondContact O-N 3.49Å; T154-C156 VanDerWaalsContact C-N 3.3Å; T154-C156 PolarHBondContact O-N 2.76Å; T154-L157 PolarHBondContact O-N 3.47Å; T154-A158 WeakPolarHBondContact O-CB 3.46Å; T154-A158 PolarHBondContact O-N 2.97Å; T154-V221 HydrophobicContact CG2-CG2 4.02Å
155N98.6Very high98.1Very high3 Ų314.4 Ų14.42%0.0167%0.07CC..Hα-helixtrans-68.7-28.4179.2-79.4-95.4000112.7A149 S151 C152 T153 P159 G291 F322 Q325A149-N155 PolarHBondContact O-ND2 3.28Å; S151-N155 PolarHBondContact O-N 2.97Å; S151-N155 PolarHBondContact O-ND2 3.1Å; C152-N155 PolarHBondContact O-N 2.68Å; C152-N155 VanDerWaalsContact O-N 3.16Å; T153-N155 VanDerWaalsContact C-N 3.34Å; N155-P159 WeakPolarHBondContact O-CD 3.03Å; N155-G291 CarbonylContact C-O 3.43Å; N155-F322 HydrophobicContact CB-CD2 4.39Å; N155-F322 WeakPolarHBondContact ND2-CD2 3.34Å; N155-F322 WeakPolarHBondContact ND2-CE2 3.28Å; N155-Q325 HydrophobicContact CB-CG 4.35Å; N155-Q325 WeakPolarHBondContact OD1-CB 3.28Å
156C98.8Very high98.2Very high0 Ų013.8 Ų13.80%07%0.07CC..Hα-helixtrans-72.6-53.1170.4177.60000112.2C152 T153 T154 T244 G291 S292 Y316C152-C156 PolarHBondContact O-N 3.1Å; C152-C156 VanDerWaalsContact O-N 3.09Å; T153-C156 PolarHBondContact O-N 2.87Å; T154-C156 VanDerWaalsContact C-N 3.3Å; T154-C156 PolarHBondContact O-N 2.76Å; C156-T244 PolarHBondContact SG-OG1 3.26Å; C156-G291 WeakPolarHBondContact CA-O 3.35Å; C156-G291 PolarHBondContact N-O 2.82Å; C156-S292 WeakPolarHBondContact O-CB 3.36Å; C156-S292 PolarHBondContact O-OG 2.89Å; C156-Y316 HydrophobicContact CB-CD1 3.5Å; C156-Y316 HydrophobicContact CB-CD2 3.91Å; C156-Y316 HydrophobicContact CB-CE1 3.81Å; C156-Y316 HydrophobicContact CB-CE2 4.18Å; C156-Y316 HydrophobicContact CB-CG 3.56Å; C156-Y316 WeakPolarHBondContact SG-CD1 3.46Å
157L98.6Very high98.2Very high0 Ų016.1 Ų16.10%08%0.08CC..Hα-helixtrans-69.2-41-17317765.3000112.9T153 T154 M160 A161 M175 A215 I218 L229 T244 L246T153-L157 WeakPolarHBondContact O-CB 3.11Å; T153-L157 PolarHBondContact O-N 2.64Å; T154-L157 PolarHBondContact O-N 3.47Å; L157-M160 HydrophobicContact CD1-CE 4.13Å; L157-M160 PolarHBondContact O-N 3.39Å; L157-A161 HydrophobicContact CD1-CB 4.23Å; L157-A161 HydrophobicContact CG-CB 4.35Å; L157-A161 VanDerWaalsContact O-CB 3.32Å; L157-A161 WeakPolarHBondContact O-CB 3.31Å; L157-A161 PolarHBondContact O-N 3.41Å; L157-M175 HydrophobicContact CD2-SD 3.82Å; L157-A215 HydrophobicContact CD2-CB 4.19Å; L157-I218 HydrophobicContact CD2-CD1 4.16Å; L157-I218 HydrophobicContact CG-CD1 4.28Å; L157-L229 HydrophobicContact CD2-CD1 4.47Å; L157-T244 HydrophobicContact CB-CG2 4.49Å; L157-T244 HydrophobicContact CD1-CG2 4.18Å; L157-L246 HydrophobicContact CD1-CB 4.44Å; L157-L246 HydrophobicContact CD1-CD1 4.38Å; L157-L246 HydrophobicContact CD1-CD2 4.27Å
158A98.5Very high98.2Very high0 Ų017.2 Ų17.20%09%0.085CC..Hα-helixtrans-57.3-53.9-170.300000114.5V132 V135 T154 M160 A161 Y162 I218 V221 I222V132-A158 HydrophobicContact CB-CB 4.18Å; V132-A158 HydrophobicContact CG1-CB 4.07Å; V132-A158 HydrophobicContact CG2-CB 3.88Å; V135-A158 HydrophobicContact CG2-CB 4.39Å; T154-A158 WeakPolarHBondContact O-CB 3.46Å; T154-A158 PolarHBondContact O-N 2.97Å; A158-M160 VanDerWaalsContact C-N 3.35Å; A158-M160 PolarHBondContact O-N 3.42Å; A158-A161 PolarHBondContact O-N 2.91Å; A158-Y162 WeakPolarHBondContact O-CB 3.09Å; A158-Y162 PolarHBondContact O-N 2.83Å; A158-I218 HydrophobicContact CB-CD1 3.91Å; A158-V221 HydrophobicContact CB-CG1 4.13Å; A158-I222 HydrophobicContact CB-CD1 4.32Å; A158-I222 WeakPolarHBondContact O-CD1 3.47Å
159P98.5Very high98.3Very high5 Ų517.7 Ų17.73%0.0329%0.09CC..Hα-helixtrans-61.8-43179.723.8-33.7000112V135 N155 A161 Y162 F163 F273 S292V135-P159 HydrophobicContact CG2-CB 4.06Å; N155-P159 WeakPolarHBondContact O-CD 3.03Å; P159-A161 PolarHBondContact O-N 3.09Å; P159-Y162 PolarHBondContact O-N 3.1Å; P159-F163 HydrophobicContact CB-CD2 4.37Å; P159-F163 HydrophobicContact CB-CE2 4.18Å; P159-F163 WeakPolarHBondContact O-CD2 3.12Å; P159-F163 PolarHBondContact O-N 3.28Å; P159-F273 HydrophobicContact CB-CB 3.92Å; P159-F273 HydrophobicContact CB-CD1 4.11Å; P159-F273 HydrophobicContact CB-CD2 4Å; P159-F273 HydrophobicContact CB-CG 3.76Å; P159-F273 HydrophobicContact CG-CB 4.39Å; P159-F273 HydrophobicContact CG-CD2 4.05Å; P159-F273 HydrophobicContact CG-CG 4.26Å; P159-S292 VanDerWaalsContact CG-CB 3.49Å
160M97.9Very high98.3Very high0 Ų017.6 Ų17.60%09%0.089CC..Hα-helixtrans-60.5-47.9177.9-178.2175.562.300111.8L157 A158 L164 T244 L246 F273 A314L157-M160 HydrophobicContact CD1-CE 4.13Å; L157-M160 PolarHBondContact O-N 3.39Å; A158-M160 VanDerWaalsContact C-N 3.35Å; A158-M160 PolarHBondContact O-N 3.42Å; M160-L164 WeakPolarHBondContact O-CB 3.32Å; M160-L164 PolarHBondContact O-N 3.14Å; M160-T244 HydrophobicContact CE-CG2 4.39Å; M160-L246 HydrophobicContact CE-CB 3.62Å; M160-L246 HydrophobicContact CE-CD2 4.39Å; M160-F273 HydrophobicContact CB-CE2 4.42Å; M160-F273 HydrophobicContact CB-CZ 4.32Å; M160-A314 HydrophobicContact CE-CB 4.38Å; M160-A314 HydrophobicContact SD-CB 3.84Å
161A98.6Very high98.4Very high0 Ų022.7 Ų22.70%011%0.112CC..Hα-helixtrans-70-36.7179.600000112.7L157 A158 P159 N165 I170 I222 L225 L229 L246L157-A161 HydrophobicContact CD1-CB 4.23Å; L157-A161 HydrophobicContact CG-CB 4.35Å; L157-A161 VanDerWaalsContact O-CB 3.32Å; L157-A161 WeakPolarHBondContact O-CB 3.31Å; L157-A161 PolarHBondContact O-N 3.41Å; A158-A161 PolarHBondContact O-N 2.91Å; P159-A161 PolarHBondContact O-N 3.09Å; A161-N165 VanDerWaalsContact O-CB 3.23Å; A161-N165 WeakPolarHBondContact O-CB 3.24Å; A161-N165 PolarHBondContact O-N 3.38Å; A161-I170 HydrophobicContact CB-CD1 4.41Å; A161-I170 WeakPolarHBondContact O-CD1 3.45Å; A161-I222 HydrophobicContact CB-CD1 4.48Å; A161-L225 HydrophobicContact CB-CD1 3.92Å; A161-L229 HydrophobicContact CB-CD1 4.16Å; A161-L246 HydrophobicContact CB-CD2 4.12Å
162Y98.7Very high98.5Very high62 Ų6225.6 Ų25.624%0.24313%0.129CC..Hα-helixtrans-61.8-57.5177.7178.2-108000110.7V135 A158 P159 L164 N165 E166 I222V135-Y162 HydrophobicContact CG1-CD1 4.41Å; V135-Y162 HydrophobicContact CG1-CD2 4.14Å; V135-Y162 HydrophobicContact CG1-CG 3.93Å; A158-Y162 WeakPolarHBondContact O-CB 3.09Å; A158-Y162 PolarHBondContact O-N 2.83Å; P159-Y162 PolarHBondContact O-N 3.1Å; Y162-L164 VanDerWaalsContact C-N 3.35Å; Y162-L164 PolarHBondContact O-N 2.72Å; Y162-N165 WeakPolarHBondContact O-CB 3.17Å; Y162-N165 PolarHBondContact O-N 3.32Å; Y162-N165 VanDerWaalsContact O-N 3.12Å; Y162-E166 HydrophobicContact CE1-CG 4.19Å; Y162-E166 HydrophobicContact CE2-CG 4.19Å; Y162-E166 PolarHBondContact O-N 3.38Å; Y162-I222 HydrophobicContact CD2-CD1 4.4Å; Y162-I222 HydrophobicContact CD2-CG1 4.16Å; Y162-I222 HydrophobicContact CD2-CG2 4.08Å; Y162-I222 HydrophobicContact CG-CD1 4.5Å
163F98.6Very high98.5Very high20 Ų2024.8 Ų24.89%0.08813%0.125CC..Hα-helixtrans-67.6-34.5-178.3-64.8-56.2000112.3P159 N165 E166 E167 I263 H266 F273P159-F163 HydrophobicContact CB-CD2 4.37Å; P159-F163 HydrophobicContact CB-CE2 4.18Å; P159-F163 WeakPolarHBondContact O-CD2 3.12Å; P159-F163 PolarHBondContact O-N 3.28Å; F163-N165 VanDerWaalsContact C-N 3.31Å; F163-N165 PolarHBondContact O-N 3.21Å; F163-E166 PolarHBondContact O-N 2.81Å; F163-E167 WeakPolarHBondContact O-CB 3.45Å; F163-E167 VanDerWaalsContact O-CG 3.22Å; F163-E167 WeakPolarHBondContact O-CG 3.49Å; F163-E167 PolarHBondContact O-N 3.5Å; F163-I263 HydrophobicContact CB-CD1 4Å; F163-H266 HydrophobicContact CB-CB 4.23Å; F163-H266 HydrophobicContact CD1-CB 3.66Å; F163-H266 AromaticContact CD1-CD2 3.63Å; F163-H266 AromaticContact CD1-CE1 3.74Å; F163-H266 AromaticContact CD1-CG 3.31Å; F163-H266 AromaticContact CD1-ND1 3.43Å; F163-H266 WeakPolarHBondContact CD1-ND1 3.22Å; F163-H266 AromaticContact CD1-NE2 3.86Å; F163-H266 HydrophobicContact CD2-CB 3.67Å; F163-H266 HydrophobicContact CE1-CB 3.85Å; F163-H266 AromaticContact CE1-CG 3.74Å; F163-H266 AromaticContact CE1-ND1 3.56Å; F163-H266 HydrophobicContact CE2-CB 3.88Å; F163-H266 HydrophobicContact CG-CB 3.58Å; F163-H266 AromaticContact CG-CD2 3.74Å; F163-H266 AromaticContact CG-CG 3.59Å; F163-H266 HydrophobicContact CZ-CB 3.97Å; F163-F273 AromaticContact CD2-CD1 3.62Å; F163-F273 HydrophobicContact CD2-CD1 3.62Å; F163-F273 AromaticContact CD2-CE1 3.68Å; F163-F273 HydrophobicContact CD2-CE1 3.68Å; F163-F273 AromaticContact CE2-CD1 3.72Å; F163-F273 HydrophobicContact CE2-CD1 3.72Å; F163-F273 HydrophobicContact CE2-CE1 4.27Å
164L98.7Very high98.5Very high0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-64.2-37.6173-170.873.2000112M160 Y162 F168 I170 L246 L250 V259 I263 T312M160-L164 WeakPolarHBondContact O-CB 3.32Å; M160-L164 PolarHBondContact O-N 3.14Å; Y162-L164 VanDerWaalsContact C-N 3.35Å; Y162-L164 PolarHBondContact O-N 2.72Å; L164-F168 HydrophobicContact CD1-CD2 3.8Å; L164-F168 HydrophobicContact CD1-CE2 4.28Å; L164-F168 PolarHBondContact O-N 3.15Å; L164-F168 VanDerWaalsContact O-N 3.11Å; L164-I170 HydrophobicContact CB-CD1 4.27Å; L164-I170 HydrophobicContact CD2-CD1 4.04Å; L164-I170 HydrophobicContact CD2-CG1 4.23Å; L164-I170 HydrophobicContact CG-CD1 4.34Å; L164-I170 HydrophobicContact CG-CG1 4.33Å; L164-L246 HydrophobicContact CD2-CD2 4Å; L164-L250 HydrophobicContact CD1-CD1 4.23Å; L164-L250 HydrophobicContact CD2-CD2 4.08Å; L164-L250 HydrophobicContact CG-CD2 4.09Å; L164-V259 HydrophobicContact CD1-CG1 4.11Å; L164-I263 HydrophobicContact CB-CD1 4.05Å; L164-I263 HydrophobicContact CD1-CD1 4.19Å; L164-T312 HydrophobicContact CD1-CG2 4.39Å
165N98.6Very high98.6Very high17 Ų1727.6 Ų27.69%0.09114%0.143CC..Hα-helixtrans-69.8-43.1176-175.365.9000112.5A161 Y162 F163 E167 G169 I170 E224 L225A161-N165 VanDerWaalsContact O-CB 3.23Å; A161-N165 WeakPolarHBondContact O-CB 3.24Å; A161-N165 PolarHBondContact O-N 3.38Å; Y162-N165 WeakPolarHBondContact O-CB 3.17Å; Y162-N165 PolarHBondContact O-N 3.32Å; Y162-N165 VanDerWaalsContact O-N 3.12Å; F163-N165 VanDerWaalsContact C-N 3.31Å; F163-N165 PolarHBondContact O-N 3.21Å; N165-E167 VanDerWaalsContact C-N 3.34Å; N165-E167 PolarHBondContact O-N 3.34Å; N165-G169 WeakPolarHBondContact O-CA 3.48Å; N165-G169 PolarHBondContact O-N 2.78Å; N165-I170 HydrophobicContact CB-CB 4.44Å; N165-I170 HydrophobicContact CB-CD1 4.06Å; N165-I170 HydrophobicContact CB-CG1 4.07Å; N165-I170 PolarHBondContact OD1-N 2.81Å; N165-E224 VanDerWaalsContact ND2-CD 3.3Å; N165-E224 WeakPolarHBondContact ND2-CG 3.24Å; N165-E224 PolarHBondContact ND2-OE1 3.31Å; N165-L225 HydrophobicContact CB-CD1 4.28Å; N165-L225 HydrophobicContact CB-CD2 4.02Å; N165-L225 HydrophobicContact CB-CG 4.4Å
166E98.3Very high98.6Very high110 Ų11029.2 Ų29.251%0.51415%0.153SC..Hα-helixtrans-59.4-44.1176.4-78.2-73.9104.400111.7Y162 F163Y162-E166 HydrophobicContact CE1-CG 4.19Å; Y162-E166 HydrophobicContact CE2-CG 4.19Å; Y162-E166 PolarHBondContact O-N 3.38Å; F163-E166 PolarHBondContact O-N 2.81Å
167E98.6Very high98.6Very high61 Ų6129.2 Ų29.229%0.28515%0.153SC..Hα-helixtrans-76.2-40.1-176.2-66.4-62.2142.900113.7F163 N165 A262 K265 H266F163-E167 WeakPolarHBondContact O-CB 3.45Å; F163-E167 VanDerWaalsContact O-CG 3.22Å; F163-E167 WeakPolarHBondContact O-CG 3.49Å; F163-E167 PolarHBondContact O-N 3.5Å; N165-E167 VanDerWaalsContact C-N 3.34Å; N165-E167 PolarHBondContact O-N 3.34Å; E167-A262 HydrophobicContact CB-CB 4.31Å; E167-A262 HydrophobicContact CG-CB 3.99Å; E167-K265 VanDerWaalsContact CD-CE 3.42Å; E167-K265 WeakPolarHBondContact OE1-CE 3.49Å; E167-K265 IonicContact OE1-NZ 2.67Å; E167-K265 PolarHBondContact OE1-NZ 3.49Å; E167-K265 IonicContact OE2-NZ 2.72Å; E167-K265 PolarHBondContact OE2-NZ 3.11Å; E167-H266 IonicContact OE1-CD2 2.66Å; E167-H266 IonicContact OE1-CE1 3.21Å; E167-H266 IonicContact OE1-NE2 3.51Å; E167-H266 PolarHBondContact OE1-NE2 2.88Å
168F98.7Very high98.6Very high23 Ų2331.3 Ų31.310%0.10117%0.166CC..Hα-helixtrans-130.9-12.6-166-55.4-60.5000114.7L164 L250 K251 T252 V254 V259 A262L164-F168 HydrophobicContact CD1-CD2 3.8Å; L164-F168 HydrophobicContact CD1-CE2 4.28Å; L164-F168 PolarHBondContact O-N 3.15Å; L164-F168 VanDerWaalsContact O-N 3.11Å; F168-L250 HydrophobicContact CB-CB 4.24Å; F168-L250 HydrophobicContact CB-CD1 3.75Å; F168-L250 HydrophobicContact CB-CG 4.4Å; F168-L250 HydrophobicContact CD2-CD1 4.18Å; F168-L250 HydrophobicContact CG-CD1 4.17Å; F168-K251 PolarHBondContact O-N 3.45Å; F168-T252 HydrophobicContact CD1-CG2 4.28Å; F168-T252 PolarHBondContact O-N 3.13Å; F168-T252 PolarHBondContact O-OG1 3.36Å; F168-T252 VanDerWaalsContact O-OG1 3.13Å; F168-V254 HydrophobicContact CD1-CG1 3.48Å; F168-V254 VanDerWaalsContact CD1-CG1 3.48Å; F168-V254 HydrophobicContact CE1-CG1 3.56Å; F168-V254 HydrophobicContact CG-CG1 3.99Å; F168-V254 HydrophobicContact CZ-CG1 4.12Å; F168-V259 HydrophobicContact CE2-CB 4.4Å; F168-V259 HydrophobicContact CE2-CG2 4.07Å; F168-V259 HydrophobicContact CZ-CG2 4.43Å; F168-A262 HydrophobicContact CE1-CB 4.4Å; F168-A262 HydrophobicContact CE2-CB 3.74Å; F168-A262 HydrophobicContact CZ-CB 3.39Å
169G98.6Very high98.6Very high10 Ų1031.5 Ų31.510%0.10317%0.166CC..  trans70110.6-176.100000112.9N165 L250 K251N165-G169 WeakPolarHBondContact O-CA 3.48Å; N165-G169 PolarHBondContact O-N 2.78Å; G169-L250 CarbonylContact O-C 3.06Å; G169-L250 VanDerWaalsContact O-CA 3.25Å; G169-L250 WeakPolarHBondContact O-CA 3.24Å; G169-K251 PolarHBondContact O-N 3.05Å
170I98.8Very high98.6Very high0 Ų031.2 Ų31.20%017%0.165CC..EExtended strand (participates in β ladder)trans-81.3124.6172.8-61.7172.1000109.2A161 L164 N165 L225 K228 L229 L246 L250A161-I170 HydrophobicContact CB-CD1 4.41Å; A161-I170 WeakPolarHBondContact O-CD1 3.45Å; L164-I170 HydrophobicContact CB-CD1 4.27Å; L164-I170 HydrophobicContact CD2-CD1 4.04Å; L164-I170 HydrophobicContact CD2-CG1 4.23Å; L164-I170 HydrophobicContact CG-CD1 4.34Å; L164-I170 HydrophobicContact CG-CG1 4.33Å; N165-I170 HydrophobicContact CB-CB 4.44Å; N165-I170 HydrophobicContact CB-CD1 4.06Å; N165-I170 HydrophobicContact CB-CG1 4.07Å; N165-I170 PolarHBondContact OD1-N 2.81Å; I170-L225 HydrophobicContact CB-CD2 3.84Å; I170-L225 HydrophobicContact CD1-CD1 4.3Å; I170-L225 HydrophobicContact CD1-CD2 4.26Å; I170-L225 HydrophobicContact CG2-CD2 4.26Å; I170-K228 WeakPolarHBondContact O-CD 3.4Å; I170-K228 PolarHBondContact O-NZ 2.98Å; I170-K228 VanDerWaalsContact O-NZ 3.11Å; I170-L229 HydrophobicContact CG2-CD2 4.06Å; I170-L246 HydrophobicContact CD1-CD2 4.35Å; I170-L250 HydrophobicContact CG1-CD2 3.83Å
171E98.5Very high98.7Very high108 Ų10834.7 Ų34.751%0.50518%0.178SC..EExtended strand (participates in β ladder)trans-86.3-49.4171.9-63.5-158.597.600111.3V249 K251E171-V249 HydrophobicContact CB-CG1 4.43Å; E171-V249 PolarHBondContact N-O 3.14Å; E171-K251 HydrophobicContact CG-CG 3.49Å; E171-K251 VanDerWaalsContact CG-CG 3.49Å
172V98.6Very high98.6Very high81 Ų8136.5 Ų36.549%0.49119%0.189SC..EExtended strand (participates in β ladder)trans-155.5150.9177.162.90000109.1K228 S248 V249V172-K228 WeakPolarHBondContact CA-O 3.28Å; V172-S248 WeakPolarHBondContact O-CA 3.3Å; V172-V249 HydrophobicContact CG1-CB 3.96Å; V172-V249 HydrophobicContact CG1-CG2 3.95Å; V172-V249 PolarHBondContact O-N 2.79Å
173G98.5Very high98.5Very high10 Ų1038.7 Ų38.710%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-155.9161.9174.100000113.8K228 L229 Q230 V247G173-K228 PolarHBondContact N-O 3.33Å; G173-L229 WeakPolarHBondContact O-CA 3.43Å; G173-Q230 PolarHBondContact O-N 2.66Å; G173-Q230 VanDerWaalsContact O-N 3.16Å; G173-V247 CarbonylContact C-O 3.58Å; G173-V247 WeakPolarHBondContact CA-O 3.33Å
174T98.6Very high98.2Very high68 Ų6842.2 Ų42.242%0.41724%0.237SC..EExtended strand (participates in β ladder)trans-130139.4170.8-174.40000109.3Q230 V247T174-Q230 CarbonylContact C-O 3.56Å; T174-Q230 VanDerWaalsContact CA-O 3.28Å; T174-Q230 WeakPolarHBondContact CA-O 3.45Å; T174-V247 HydrophobicContact CG2-CB 4.31Å; T174-V247 PolarHBondContact N-O 3.09Å; T174-V247 PolarHBondContact O-N 2.83Å
175M98.5Very high98.1Very high2 Ų243.2 Ų43.21%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-107.4151.9172.273.6154-17200112.6T153 L157 T212 A214 A215 Q230 G231 H232 T244 E245T153-M175 HydrophobicContact CG2-CE 4.02Å; T153-M175 HydrophobicContact CG2-SD 3.95Å; L157-M175 HydrophobicContact CD2-SD 3.82Å; M175-T212 HydrophobicContact CE-CG2 3.29Å; M175-A214 HydrophobicContact CE-CB 3.92Å; M175-A215 HydrophobicContact CE-CB 3.87Å; M175-A215 HydrophobicContact CG-CB 3.9Å; M175-A215 HydrophobicContact SD-CB 4.25Å; M175-Q230 PolarHBondContact N-O 2.75Å; M175-G231 CarbonylContact O-C 3.52Å; M175-G231 WeakPolarHBondContact O-CA 3.42Å; M175-H232 PolarHBondContact O-N 2.93Å; M175-H232 VanDerWaalsContact O-N 3.08Å; M175-T244 HydrophobicContact CB-CG2 4.08Å; M175-T244 HydrophobicContact SD-CG2 3.87Å; M175-E245 CarbonylContact C-O 3.49Å; M175-E245 WeakPolarHBondContact CA-O 3.43Å; M175-E245 VanDerWaalsContact CB-O 3.26Å; M175-E245 WeakPolarHBondContact CB-O 3.36Å
176T98.8Very high98.1Very high36 Ų3645 Ų4522%0.22125%0.25CC..EExtended strand (participates in β ladder)trans-128.7116.1161.5-65.20000107.3H232 Q234 E245T176-H232 WeakPolarHBondContact CA-O 3.5Å; T176-H232 PolarHBondContact OG1-NE2 3.03Å; T176-Q234 HydrophobicContact CG2-CG 4.01Å; T176-E245 PolarHBondContact N-O 3.18Å; T176-E245 PolarHBondContact O-N 3.34Å
177T98.8Very high98.1Very high0 Ų046.6 Ų46.60%026%0.261CS..EExtended strand (participates in β ladder)trans-91123.6167.7-175.70000110.1T153 H179 H232 A233 Q234 L243 Y316T153-T177 HydrophobicContact CG2-CG2 3.86Å; T177-H179 HydrophobicContact CG2-CB 4.29Å; T177-H232 PolarHBondContact N-O 3.43Å; T177-H232 VanDerWaalsContact N-O 3.08Å; T177-A233 HydrophobicContact CG2-CB 3.43Å; T177-A233 VanDerWaalsContact CG2-CB 3.43Å; T177-A233 CarbonylContact O-C 3.58Å; T177-A233 WeakPolarHBondContact O-CA 3.36Å; T177-Q234 PolarHBondContact O-N 3.21Å; T177-L243 CarbonylContact C-O 3.49Å; T177-L243 WeakPolarHBondContact CA-O 3.41Å; T177-L243 WeakPolarHBondContact CB-O 3.36Å; T177-L243 PolarHBondContact OG1-O 2.98Å; T177-Y316 PolarHBondContact OG1-OH 2.81Å
178V98.9Very high98.1Very high45 Ų4549.6 Ų49.627%0.27328%0.279SS..EExtended strand (participates in β ladder)trans-90.6109.6167.5-175.50000105.9Q234 V236 S242 L243V178-Q234 WeakPolarHBondContact CA-O 3.47Å; V178-V236 HydrophobicContact CG1-CB 4.48Å; V178-V236 HydrophobicContact CG1-CG1 3.78Å; V178-V236 HydrophobicContact CG1-CG2 3.83Å; V178-S242 WeakPolarHBondContact O-CA 3.23Å; V178-L243 HydrophobicContact CB-CD1 4.12Å; V178-L243 HydrophobicContact CB-CG 4.05Å; V178-L243 HydrophobicContact CG2-CD1 4.14Å; V178-L243 PolarHBondContact N-O 3.17Å; V178-L243 PolarHBondContact O-N 3.48Å
179H98.9Very high98.1Very high3 Ų352.4 Ų52.41%0.01430%0.295CS..EExtended strand (participates in β ladder)trans-124.8138.5-159-169.1-51.5000110.8T177 Q234 R235 V236 S242 Y316T177-H179 HydrophobicContact CG2-CB 4.29Å; H179-Q234 PolarHBondContact N-O 2.7Å; H179-R235 CarbonylContact O-C 3.53Å; H179-R235 VanDerWaalsContact O-CA 3.24Å; H179-R235 WeakPolarHBondContact O-CA 3.24Å; H179-V236 PolarHBondContact O-N 2.96Å; H179-S242 VanDerWaalsContact CA-OG 3.27Å; H179-S242 WeakPolarHBondContact CA-OG 3.47Å; H179-S242 PolarHBondContact ND1-OG 2.86Å; H179-Y316 PolarHBondContact CD2-OH 3.49Å
180A98.8Very high98Very high0 Ų053 Ų530%030%0.3CS..EExtended strand (participates in β ladder)trans-50.5151.5169.200000111.9R235 V238 D240 S242A180-R235 VanDerWaalsContact O-CD 3.3Å; A180-R235 WeakPolarHBondContact O-CD 3.38Å; A180-V238 WeakPolarHBondContact CA-O 3.43Å; A180-V238 HydrophobicContact CB-CG2 3.86Å; A180-V238 WeakPolarHBondContact CB-O 3.44Å; A180-D240 VanDerWaalsContact CB-CA 3.46Å; A180-S242 PolarHBondContact N-OG 3.05Å
181Y98.5Very high98Very high73 Ų7359.2 Ų59.229%0.28634%0.341SS..  trans-69.9150.2173.666.5-100000110.6A203 A204 V236 V238 V239Y181-A203 HydrophobicContact CD2-CB 4.36Å; Y181-A203 HydrophobicContact CG-CB 4.04Å; Y181-A204 HydrophobicContact CE1-CB 4.47Å; Y181-V236 PolarHBondContact N-O 3.34Å; Y181-V238 WeakPolarHBondContact CD1-O 3.35Å; Y181-V238 WeakPolarHBondContact CE1-O 3.43Å; Y181-V238 PolarHBondContact N-O 3.43Å; Y181-V239 HydrophobicContact CE1-CG1 4.43Å; Y181-V239 VanDerWaalsContact OH-CG1 3.31Å; Y181-V239 WeakPolarHBondContact OH-CG1 3.19Å
182T97.6Very high97.9Very high38 Ų3855.5 Ų55.523%0.23333%0.326CS..  trans-121.7168.8-175.871.70000112.4T184 Q185 R235T182-T184 PolarHBondContact O-N 2.96Å; T182-T184 PolarHBondContact OG1-OG1 2.6Å; T182-T184 VanDerWaalsContact OG1-OG1 3.08Å; T182-Q185 VanDerWaalsContact N-OE1 3.1Å; T182-Q185 WeakPolarHBondContact O-CB 3.45Å; T182-Q185 PolarHBondContact O-N 3.01Å; T182-R235 PolarHBondContact OG1-NH1 3.39Å
183S95.8Very high97.7Very high107 Ų10761 Ų6175%0.74834%0.343SS*.THydrogen-bonded Turntrans-59.1-11.5-179.2-51.10000115.2Q185S183-Q185 VanDerWaalsContact C-N 3.32Å
184T93.4Very high97.5Very high95 Ų9564.4 Ų64.458%0.58338%0.378SS*.THydrogen-bonded Turntrans-82.8-9.4175.161.20000113.4T182T182-T184 PolarHBondContact O-N 2.96Å; T182-T184 PolarHBondContact OG1-OG1 2.6Å; T182-T184 VanDerWaalsContact OG1-OG1 3.08Å
185Q97.2Very high97.3Very high21 Ų2163.9 Ų63.910%0.09839%0.386CS..SBendtrans-96.6165.1-179.3-64.5172.1-116.100111.5T182 S183 A203T182-Q185 VanDerWaalsContact N-OE1 3.1Å; T182-Q185 WeakPolarHBondContact O-CB 3.45Å; T182-Q185 PolarHBondContact O-N 3.01Å; S183-Q185 VanDerWaalsContact C-N 3.32Å; Q185-A203 HydrophobicContact CB-CB 3.73Å
186M97.9Very high97.3Very high53 Ų5367.5 Ų67.526%0.26141%0.406SS..BIsolated β-bridgetrans-94.7142.5-174.3-58.3-66.8-73.400111.5L188 P191 V192 A199 A203M186-L188 VanDerWaalsContact CB-O 3.25Å; M186-L188 WeakPolarHBondContact CB-O 3.42Å; M186-P191 WeakPolarHBondContact CE-O 3.27Å; M186-V192 HydrophobicContact CG-CB 4.34Å; M186-V192 HydrophobicContact CG-CG2 4.3Å; M186-V192 HydrophobicContact SD-CB 4.2Å; M186-V192 HydrophobicContact SD-CG2 4.03Å; M186-A199 VanDerWaalsContact CG-O 3.28Å; M186-A199 WeakPolarHBondContact CG-O 3.38Å; M186-A203 WeakPolarHBondContact O-CB 3.22Å; M186-A203 PolarHBondContact O-N 2.97Å
187L98.1Very high97.2Very high144 Ų14472.9 Ų72.975%0.75443%0.432SS*.SBendtrans-67-42.7171.1-177.461.4000111.3
188L98.3Very high97.2Very high125 Ų12579.3 Ų79.365%0.65446%0.457SS*.SBendtrans-130.4157.6175.7-65.8178.6000110.5M186 G190 S202M186-L188 VanDerWaalsContact CB-O 3.25Å; M186-L188 WeakPolarHBondContact CB-O 3.42Å; L188-G190 PolarHBondContact O-N 3.19Å; L188-S202 WeakPolarHBondContact CA-OG 3.42Å
189D98.5Very high97.1Very high82 Ų8277.9 Ų77.944%0.43945%0.45SS..SBendtrans-52.9124.9178.3-73.114.6000111.1A200 R201 S202D189-A200 VanDerWaalsContact CA-O 3.28Å; D189-A200 WeakPolarHBondContact CA-O 3.17Å; D189-R201 WeakPolarHBondContact OD1-CA 3.27Å; D189-R201 IonicContact OD1-NE 2.81Å; D189-R201 IonicContact OD2-CZ 3.93Å; D189-R201 VanDerWaalsContact OD2-CZ 3.26Å; D189-R201 IonicContact OD2-NE 2.99Å; D189-R201 PolarHBondContact OD2-NE 2.88Å; D189-R201 IonicContact OD2-NH2 3.38Å; D189-R201 PolarHBondContact OD2-NH2 2.87Å; D189-S202 PolarHBondContact N-OG 2.68Å; D189-S202 WeakPolarHBondContact OD1-CB 3.49Å; D189-S202 PolarHBondContact OD1-N 3.03Å; D189-S202 PolarHBondContact OD1-OG 3.38Å
190G97.8Very high97Very high21 Ų2178.7 Ų78.722%0.21646%0.456CS..  trans-177.8171.3-177.100000114.6L188 V192 A200L188-G190 PolarHBondContact O-N 3.19Å; G190-V192 PolarHBondContact O-N 3.29Å; G190-A200 PolarHBondContact N-O 2.94Å; G190-A200 WeakPolarHBondContact O-CA 3.27Å; G190-A200 VanDerWaalsContact O-CB 3.27Å; G190-A200 WeakPolarHBondContact O-CB 3.45Å
191P97.9Very high97Very high131 Ų13183.8 Ų83.885%0.85148%0.476SS*.  trans-58.9136.5177.7-22.433.9000111.8M186M186-P191 WeakPolarHBondContact CE-O 3.27Å
192V97.5Very high97Very high31 Ų3181.2 Ų81.219%0.18847%0.468CS..  trans-129151.1-17972.80000110.9M186 G190 G194 G195 N196 A199 A200M186-V192 HydrophobicContact CG-CB 4.34Å; M186-V192 HydrophobicContact CG-CG2 4.3Å; M186-V192 HydrophobicContact SD-CB 4.2Å; M186-V192 HydrophobicContact SD-CG2 4.03Å; G190-V192 PolarHBondContact O-N 3.29Å; V192-G194 PolarHBondContact O-N 2.91Å; V192-G195 PolarHBondContact O-N 3.23Å; V192-N196 WeakPolarHBondContact CG1-O 3.45Å; V192-A199 HydrophobicContact CG1-CB 4.01Å; V192-A199 HydrophobicContact CG2-CB 4.32Å; V192-A200 HydrophobicContact CG1-CB 4.03Å
193K92.6Very high97.1Very high196 Ų19679.6 Ų79.685%0.85246%0.459SS*.THydrogen-bonded Turntrans-55.1132174.5-172177.8179-179.20110.3G195K193-G195 VanDerWaalsContact C-N 3.29Å; K193-G195 PolarHBondContact O-N 2.85Å
194G94.2Very high97.2Very high82 Ų8276.9 Ų76.985%0.84544%0.443SS*.THydrogen-bonded Turntrans81.8-3.8-178.600000115.2V192 N196V192-G194 PolarHBondContact O-N 2.91Å; G194-N196 PolarHBondContact O-N 3.41Å
195G96Very high97.4Very high57 Ų5778.9 Ų78.959%0.58845%0.45SS*.  trans67.417.4171.100000115.2V192 K193 L197V192-G195 PolarHBondContact O-N 3.23Å; K193-G195 VanDerWaalsContact C-N 3.29Å; K193-G195 PolarHBondContact O-N 2.85Å; G195-L197 PolarHBondContact O-N 3.16Å
196N97.4Very high97.5Very high78 Ų7880.3 Ų80.342%0.41746%0.459SS..  trans-69.1118.5178.4-177.8-76.2000110.7V192 G194 R198 A199 A200V192-N196 WeakPolarHBondContact CG1-O 3.45Å; G194-N196 PolarHBondContact O-N 3.41Å; N196-R198 PolarHBondContact O-N 3.09Å; N196-R198 WeakPolarHBondContact OD1-CA 3.26Å; N196-R198 WeakPolarHBondContact OD1-CB 3.42Å; N196-R198 PolarHBondContact OD1-N 2.77Å; N196-A199 HydrophobicContact CB-CB 3.96Å; N196-A199 PolarHBondContact O-N 3.08Å; N196-A199 PolarHBondContact OD1-N 3.3Å; N196-A200 PolarHBondContact O-N 2.96Å; N196-A200 VanDerWaalsContact O-N 3.11Å
197L98Very high97.5Very high149 Ų14982.1 Ų82.178%0.7847%0.473SS*.THydrogen-bonded Turntrans-62.7-26.2-174.3-58.3-179.1000114.2G195 R201G195-L197 PolarHBondContact O-N 3.16Å; L197-R201 WeakPolarHBondContact O-CG 3.46Å
198R98.4Very high97.6Very high135 Ų13575.7 Ų75.751%0.50944%0.439SS..THydrogen-bonded Turntrans-83.4-40.4177.4-71.6-172.3179.5150.3-8.8111.6N196 A200 R201 I208 P209N196-R198 PolarHBondContact O-N 3.09Å; N196-R198 WeakPolarHBondContact OD1-CA 3.26Å; N196-R198 WeakPolarHBondContact OD1-CB 3.42Å; N196-R198 PolarHBondContact OD1-N 2.77Å; R198-A200 PolarHBondContact O-N 2.79Å; R198-R201 WeakPolarHBondContact O-CG 3.5Å; R198-R201 PolarHBondContact O-N 2.85Å; R198-I208 HydrophobicContact CB-CG2 3.76Å; R198-I208 WeakPolarHBondContact O-CG2 3.27Å; R198-P209 WeakPolarHBondContact CD-O 3.45Å
199A96.6Very high97.6Very high15 Ų1571.6 Ų71.612%0.12442%0.42CS..THydrogen-bonded Turntrans-64.7-21.8174.600000112.6M186 V192 N196 R201M186-A199 VanDerWaalsContact CG-O 3.28Å; M186-A199 WeakPolarHBondContact CG-O 3.38Å; V192-A199 HydrophobicContact CG1-CB 4.01Å; V192-A199 HydrophobicContact CG2-CB 4.32Å; N196-A199 HydrophobicContact CB-CB 3.96Å; N196-A199 PolarHBondContact O-N 3.08Å; N196-A199 PolarHBondContact OD1-N 3.3Å; A199-R201 PolarHBondContact O-N 3.39Å
200A97.8Very high97.5Very high19 Ų1970.2 Ų70.216%0.15741%0.41CS..THydrogen-bonded Turntrans-74.80.9176.100000114.7D189 G190 V192 N196 R198D189-A200 VanDerWaalsContact CA-O 3.28Å; D189-A200 WeakPolarHBondContact CA-O 3.17Å; G190-A200 PolarHBondContact N-O 2.94Å; G190-A200 WeakPolarHBondContact O-CA 3.27Å; G190-A200 VanDerWaalsContact O-CB 3.27Å; G190-A200 WeakPolarHBondContact O-CB 3.45Å; V192-A200 HydrophobicContact CG1-CB 4.03Å; N196-A200 PolarHBondContact O-N 2.96Å; N196-A200 VanDerWaalsContact O-N 3.11Å; R198-A200 PolarHBondContact O-N 2.79Å
201R98.5Very high97.3Very high108 Ų10873.8 Ų73.841%0.40843%0.432SS..SBendtrans-102.8152.6-174.8-50.5-53.6-57.8-69.8-1.8112.3D189 L197 R198 A199 A203 I208D189-R201 WeakPolarHBondContact OD1-CA 3.27Å; D189-R201 IonicContact OD1-NE 2.81Å; D189-R201 IonicContact OD2-CZ 3.93Å; D189-R201 VanDerWaalsContact OD2-CZ 3.26Å; D189-R201 IonicContact OD2-NE 2.99Å; D189-R201 PolarHBondContact OD2-NE 2.88Å; D189-R201 IonicContact OD2-NH2 3.38Å; D189-R201 PolarHBondContact OD2-NH2 2.87Å; L197-R201 WeakPolarHBondContact O-CG 3.46Å; R198-R201 WeakPolarHBondContact O-CG 3.5Å; R198-R201 PolarHBondContact O-N 2.85Å; A199-R201 PolarHBondContact O-N 3.39Å; R201-A203 PolarHBondContact O-N 3.47Å; R201-I208 HydrophobicContact CB-CD1 4.08Å
202S98.6Very high96.9Very high18 Ų1869.2 Ų69.213%0.12640%0.402CS..BIsolated β-bridgetrans-58.3111.1-179.9-52.50000110.8L188 D189 N206L188-S202 WeakPolarHBondContact CA-OG 3.42Å; D189-S202 PolarHBondContact N-OG 2.68Å; D189-S202 WeakPolarHBondContact OD1-CB 3.49Å; D189-S202 PolarHBondContact OD1-N 3.03Å; D189-S202 PolarHBondContact OD1-OG 3.38Å; S202-N206 PolarHBondContact O-ND2 2.93Å
203A98.7Very high96.2Very high4 Ų469.9 Ų69.93%0.03342%0.415CS..G310 helixtrans-70.3-35-17000000113.9Y181 Q185 M186 R201 D205Y181-A203 HydrophobicContact CD2-CB 4.36Å; Y181-A203 HydrophobicContact CG-CB 4.04Å; Q185-A203 HydrophobicContact CB-CB 3.73Å; M186-A203 WeakPolarHBondContact O-CB 3.22Å; M186-A203 PolarHBondContact O-N 2.97Å; R201-A203 PolarHBondContact O-N 3.47Å; A203-D205 PolarHBondContact O-N 2.93Å
204A97.9Very high96.1Very high51 Ų5160.6 Ų60.642%0.42138%0.375SS..G310 helixtrans-83.66.7-175.400000113.9Y181 P237Y181-A204 HydrophobicContact CE1-CB 4.47Å; A204-P237 WeakPolarHBondContact O-CB 3.24Å
205D98Very high95.6Very high136 Ų13656.9 Ų56.973%0.72734%0.336SS*.G310 helixtrans-139.513.8-177.8-161.839000112.8A203A203-D205 PolarHBondContact O-N 2.93Å
206N98.8Very high94.9Very high52 Ų5262.5 Ų62.528%0.27834%0.344SS..  trans-142.1149.1-177.6-72.6-85000112.6S202 I208S202-N206 PolarHBondContact O-ND2 2.93Å; N206-I208 HydrophobicContact CB-CD1 4.01Å; N206-I208 HydrophobicContact CB-CG1 3.55Å
207T98.9Very high94.4Very high91 Ų9160 Ų6056%0.55834%0.335SS*.  trans-87.6110.3155.9-59.90000108.4Q234 R235 V236T207-Q234 HydrophobicContact CG2-CB 4.09Å; T207-R235 CarbonylContact C-O 3.48Å; T207-R235 WeakPolarHBondContact CA-O 3.24Å; T207-V236 HydrophobicContact CG2-CG1 4.07Å
208I98.7Very high94.3Very high8 Ų853 Ų534%0.04130%0.298CS..EExtended strand (participates in β ladder)trans-111.2110.9-171.3-57175.5000109.7R198 R201 N206 H210 R235R198-I208 HydrophobicContact CB-CG2 3.76Å; R198-I208 WeakPolarHBondContact O-CG2 3.27Å; R201-I208 HydrophobicContact CB-CD1 4.08Å; N206-I208 HydrophobicContact CB-CD1 4.01Å; N206-I208 HydrophobicContact CB-CG1 3.55Å; I208-H210 PolarHBondContact O-N 3.15Å; I208-R235 HydrophobicContact CB-CB 4.27Å; I208-R235 PolarHBondContact N-O 2.96Å; I208-R235 PolarHBondContact O-N 2.83Å
209P98.6Very high94.1Very high39 Ų3947 Ų4725%0.25328%0.279SS..EExtended strand (participates in β ladder)trans-63.1135.5173.3-17.427.3000110.9R198 A233 Q234R198-P209 WeakPolarHBondContact CD-O 3.45Å; P209-A233 CarbonylContact C-O 3.58Å; P209-A233 WeakPolarHBondContact CA-O 3.12Å; P209-Q234 VanDerWaalsContact CA-OE1 3.31Å
210H97Very high94Very high53 Ų5348.6 Ų48.625%0.24529%0.285CS..EExtended strand (participates in β ladder)trans-138.3142.2-174.5-170.877.1000110.8I208 A233 R235I208-H210 PolarHBondContact O-N 3.15Å; H210-A233 HydrophobicContact CB-CB 4.18Å; H210-A233 PolarHBondContact N-O 3.01Å; H210-A233 PolarHBondContact O-N 3.02Å; H210-R235 HydrophobicContact CB-CG 4Å; H210-R235 PolarHBondContact CD2-NH2 3.4Å; H210-R235 PolarHBondContact NE2-NH2 3.29Å
211S93.1Very high94.1Very high97 Ų9748 Ų4868%0.67828%0.279SS*.EExtended strand (participates in β ladder)trans-74142.6174.7-56.90000109.9
212T89.9Confident94Very high34 Ų3443 Ų4321%0.20926%0.26CS..  trans-133.8144172.5167.40000110M175 A214 A233M175-T212 HydrophobicContact CE-CG2 3.29Å; T212-A214 PolarHBondContact OG1-N 2.83Å; T212-A214 VanDerWaalsContact OG1-N 3.15Å; T212-A233 HydrophobicContact CG2-CB 4.28Å
213G83.4Confident93.9Very high46 Ų4646.8 Ų46.847%0.47429%0.285SS..SBendtrans-87.4-9.8175.800000113.7A215 K216 A217G213-A215 PolarHBondContact O-N 2.82Å; G213-K216 PolarHBondContact O-N 3.5Å; G213-A217 VanDerWaalsContact O-CB 3.24Å; G213-A217 WeakPolarHBondContact O-CB 3.39Å; G213-A217 PolarHBondContact O-N 3.12Å
214A88.9Confident93.9Very high1 Ų150.5 Ų50.51%0.00830%0.302CS..Hα-helixtrans-60.7-47.5-165.700000113.2T153 M175 T212 K216 A217 I218T153-A214 HydrophobicContact CG2-CB 3.86Å; M175-A214 HydrophobicContact CE-CB 3.92Å; T212-A214 PolarHBondContact OG1-N 2.83Å; T212-A214 VanDerWaalsContact OG1-N 3.15Å; A214-K216 PolarHBondContact O-N 2.76Å; A214-A217 CarbonylContact O-C 3.49Å; A214-A217 PolarHBondContact O-N 3.24Å; A214-I218 PolarHBondContact O-N 2.89Å
215A84.5Confident93.9Very high3 Ų348.1 Ų48.13%0.02528%0.281CS..Hα-helixtrans-67.3-37178.200000112.8L157 M175 G213 I218 L229 Q230L157-A215 HydrophobicContact CD2-CB 4.19Å; M175-A215 HydrophobicContact CE-CB 3.87Å; M175-A215 HydrophobicContact CG-CB 3.9Å; M175-A215 HydrophobicContact SD-CB 4.25Å; G213-A215 PolarHBondContact O-N 2.82Å; A215-I218 WeakPolarHBondContact O-CB 3.47Å; A215-I218 WeakPolarHBondContact O-CG2 3.3Å; A215-I218 PolarHBondContact O-N 3.18Å; A215-L229 HydrophobicContact CB-CB 4.1Å; A215-Q230 VanDerWaalsContact CB-O 3.31Å; A215-Q230 WeakPolarHBondContact CB-O 3.35Å
216K81.7Confident93.9Very high175 Ų17547 Ų4776%0.76128%0.275SS*.Hα-helixtrans-69.3-36.3176.3-173.2178.3178.4-178.20111.8G213 A214 I218G213-K216 PolarHBondContact O-N 3.5Å; A214-K216 PolarHBondContact O-N 2.76Å; K216-I218 VanDerWaalsContact C-N 3.29Å
217A87.5Confident93.7Very high27 Ų2748.1 Ų48.122%0.22330%0.299CS..Hα-helixtrans-83-4179.800000113.1G213 A214 G219 L220G213-A217 VanDerWaalsContact O-CB 3.24Å; G213-A217 WeakPolarHBondContact O-CB 3.39Å; G213-A217 PolarHBondContact O-N 3.12Å; A214-A217 CarbonylContact O-C 3.49Å; A214-A217 PolarHBondContact O-N 3.24Å; A217-G219 PolarHBondContact O-N 3.07Å; A217-G219 VanDerWaalsContact O-N 3.15Å; A217-L220 HydrophobicContact CB-CD1 4.39Å; A217-L220 VanDerWaalsContact O-CB 3.32Å; A217-L220 WeakPolarHBondContact O-CB 3.36Å; A217-L220 PolarHBondContact O-N 3.12Å
218I94.5Very high93.7Very high1 Ų146.5 Ų46.51%0.00529%0.285CS..G310 helixtrans-58.8-30.8-178.9-15562000112L157 A158 A214 A215 K216 L220 V221 I222 L225 L229L157-I218 HydrophobicContact CD2-CD1 4.16Å; L157-I218 HydrophobicContact CG-CD1 4.28Å; A158-I218 HydrophobicContact CB-CD1 3.91Å; A214-I218 PolarHBondContact O-N 2.89Å; A215-I218 WeakPolarHBondContact O-CB 3.47Å; A215-I218 WeakPolarHBondContact O-CG2 3.3Å; A215-I218 PolarHBondContact O-N 3.18Å; K216-I218 VanDerWaalsContact C-N 3.29Å; I218-L220 PolarHBondContact O-N 2.98Å; I218-L220 VanDerWaalsContact O-N 3.16Å; I218-V221 PolarHBondContact O-N 2.95Å; I218-I222 HydrophobicContact CD1-CD1 4.1Å; I218-I222 HydrophobicContact CG1-CD1 4Å; I218-I222 PolarHBondContact O-N 2.92Å; I218-L225 HydrophobicContact CG2-CB 4.01Å; I218-L229 HydrophobicContact CG1-CD1 4.37Å; I218-L229 HydrophobicContact CG2-CB 4.14Å; I218-L229 HydrophobicContact CG2-CD1 4.04Å; I218-L229 HydrophobicContact CG2-CG 4.25Å
219G94.2Very high93.7Very high10 Ų1046.4 Ų46.410%0.10328%0.284CS..G310 helixtrans-63.2-17.1176.500000114.4A217 V221 P223A217-G219 PolarHBondContact O-N 3.07Å; A217-G219 VanDerWaalsContact O-N 3.15Å; G219-V221 VanDerWaalsContact C-N 3.35Å; G219-P223 WeakPolarHBondContact O-CA 3.12Å
220L96Very high93.6Very high48 Ų4851.6 Ų51.625%0.25131%0.305SS..G310 helixtrans-78.3-23.4172.4-58.5178.2000112.3G126 A217 I218G126-L220 WeakPolarHBondContact O-CD1 3.22Å; A217-L220 HydrophobicContact CB-CD1 4.39Å; A217-L220 VanDerWaalsContact O-CB 3.32Å; A217-L220 WeakPolarHBondContact O-CB 3.36Å; A217-L220 PolarHBondContact O-N 3.12Å; I218-L220 PolarHBondContact O-N 2.98Å; I218-L220 VanDerWaalsContact O-N 3.16Å
221V97.9Very high93.6Very high5 Ų550.3 Ų50.33%0.0331%0.306CS..THydrogen-bonded Turntrans-98.8-42.3179.8-175.80000110.4T130 V132 V135 N136 T154 A158 I218 G219T130-V221 HydrophobicContact CG2-CG2 3.93Å; V132-V221 HydrophobicContact CB-CG1 3.96Å; V132-V221 HydrophobicContact CG2-CG1 3.85Å; V132-V221 HydrophobicContact CG2-CG2 4.07Å; V135-V221 HydrophobicContact CB-CG1 4.44Å; V135-V221 HydrophobicContact CG1-CG1 3.89Å; N136-V221 HydrophobicContact CB-CG1 4.4Å; N136-V221 PolarHBondContact ND2-O 2.93Å; T154-V221 HydrophobicContact CG2-CG2 4.02Å; A158-V221 HydrophobicContact CB-CG1 4.13Å; I218-V221 PolarHBondContact O-N 2.95Å; G219-V221 VanDerWaalsContact C-N 3.35Å
222I97.8Very high93.8Very high3 Ų349.5 Ų49.52%0.01529%0.291CS..SBendtrans-128.386-174.2-51.9164.7000107.6V135 A158 A161 Y162 I218 E224 L225V135-I222 HydrophobicContact CG1-CD1 4.36Å; V135-I222 HydrophobicContact CG1-CG1 4.02Å; A158-I222 HydrophobicContact CB-CD1 4.32Å; A158-I222 WeakPolarHBondContact O-CD1 3.47Å; A161-I222 HydrophobicContact CB-CD1 4.48Å; Y162-I222 HydrophobicContact CD2-CD1 4.4Å; Y162-I222 HydrophobicContact CD2-CG1 4.16Å; Y162-I222 HydrophobicContact CD2-CG2 4.08Å; Y162-I222 HydrophobicContact CG-CD1 4.5Å; I218-I222 HydrophobicContact CD1-CD1 4.1Å; I218-I222 HydrophobicContact CG1-CD1 4Å; I218-I222 PolarHBondContact O-N 2.92Å; I222-E224 VanDerWaalsContact C-N 3.28Å; I222-E224 HydrophobicContact CG2-CG 3.6Å; I222-E224 PolarHBondContact O-N 3.31Å; I222-L225 HydrophobicContact CB-CB 4.34Å; I222-L225 HydrophobicContact CB-CD1 4.22Å; I222-L225 HydrophobicContact CB-CG 4.36Å; I222-L225 HydrophobicContact CD1-CD1 4.03Å; I222-L225 HydrophobicContact CG2-CB 4.13Å; I222-L225 HydrophobicContact CG2-CD1 3.76Å; I222-L225 HydrophobicContact CG2-CG 3.7Å; I222-L225 PolarHBondContact O-N 2.99Å
223P97.1Very high94.2Very high98 Ų9847.9 Ų47.964%0.63628%0.282SS*.G310 helixtrans-56-36-169.5-29.837000115.2G219 L225 N226G219-P223 WeakPolarHBondContact O-CA 3.12Å; P223-L225 PolarHBondContact O-N 2.66Å; P223-N226 WeakPolarHBondContact O-CB 3.32Å; P223-N226 PolarHBondContact O-N 2.96Å
224E97.5Very high94.9Very high83 Ų8347.8 Ų47.839%0.38827%0.269SS..G310 helixtrans-63.9-15174.761.6-153-15200115.3N165 I222 K228N165-E224 VanDerWaalsContact ND2-CD 3.3Å; N165-E224 WeakPolarHBondContact ND2-CG 3.24Å; N165-E224 PolarHBondContact ND2-OE1 3.31Å; I222-E224 VanDerWaalsContact C-N 3.28Å; I222-E224 HydrophobicContact CG2-CG 3.6Å; I222-E224 PolarHBondContact O-N 3.31Å; E224-K228 WeakPolarHBondContact O-CE 3.32Å; E224-K228 PolarHBondContact O-NZ 3.04Å
225L98.1Very high95.4Very high0 Ų049 Ų490%027%0.273CS..G310 helixtrans-100.52.4173.3-64.4-176.2000113A161 N165 I170 I218 I222 P223 G227 K228 L229A161-L225 HydrophobicContact CB-CD1 3.92Å; N165-L225 HydrophobicContact CB-CD1 4.28Å; N165-L225 HydrophobicContact CB-CD2 4.02Å; N165-L225 HydrophobicContact CB-CG 4.4Å; I170-L225 HydrophobicContact CB-CD2 3.84Å; I170-L225 HydrophobicContact CD1-CD1 4.3Å; I170-L225 HydrophobicContact CD1-CD2 4.26Å; I170-L225 HydrophobicContact CG2-CD2 4.26Å; I218-L225 HydrophobicContact CG2-CB 4.01Å; I222-L225 HydrophobicContact CB-CB 4.34Å; I222-L225 HydrophobicContact CB-CD1 4.22Å; I222-L225 HydrophobicContact CB-CG 4.36Å; I222-L225 HydrophobicContact CD1-CD1 4.03Å; I222-L225 HydrophobicContact CG2-CB 4.13Å; I222-L225 HydrophobicContact CG2-CD1 3.76Å; I222-L225 HydrophobicContact CG2-CG 3.7Å; I222-L225 PolarHBondContact O-N 2.99Å; P223-L225 PolarHBondContact O-N 2.66Å; L225-G227 PolarHBondContact O-N 3Å; L225-K228 HydrophobicContact CD2-CD 4.05Å; L225-K228 PolarHBondContact O-N 3.14Å; L225-L229 HydrophobicContact CD1-CD1 4.3Å
226N97Very high96.1Very high112 Ų11250 Ų5060%0.59928%0.28SS*.THydrogen-bonded Turntrans-58.3124.9177.2-17230.6000111.2P223 K228P223-N226 WeakPolarHBondContact O-CB 3.32Å; P223-N226 PolarHBondContact O-N 2.96Å; N226-K228 VanDerWaalsContact C-N 3.25Å; N226-K228 PolarHBondContact O-N 3.27Å
227G96.5Very high96.9Very high76 Ų7644.7 Ų44.778%0.78426%0.263SS*.THydrogen-bonded Turntrans76.4-1.2-178.100000115.9L225L225-G227 PolarHBondContact O-N 3Å
228K98.1Very high97.4Very high57 Ų5745.8 Ų45.825%0.24827%0.266CS..THydrogen-bonded Turntrans-93-22.8-178.5-63.7-171.6-176.6166.30114.6I170 V172 G173 E224 L225 N226I170-K228 WeakPolarHBondContact O-CD 3.4Å; I170-K228 PolarHBondContact O-NZ 2.98Å; I170-K228 VanDerWaalsContact O-NZ 3.11Å; V172-K228 WeakPolarHBondContact CA-O 3.28Å; G173-K228 PolarHBondContact N-O 3.33Å; E224-K228 WeakPolarHBondContact O-CE 3.32Å; E224-K228 PolarHBondContact O-NZ 3.04Å; L225-K228 HydrophobicContact CD2-CD 4.05Å; L225-K228 PolarHBondContact O-N 3.14Å; N226-K228 VanDerWaalsContact C-N 3.25Å; N226-K228 PolarHBondContact O-N 3.27Å
229L98.2Very high97.6Very high6 Ų649 Ų493%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-113.4138.2-176.6-57.5-170.8000112L157 A161 I170 G173 A215 I218 L225 L246L157-L229 HydrophobicContact CD2-CD1 4.47Å; A161-L229 HydrophobicContact CB-CD1 4.16Å; I170-L229 HydrophobicContact CG2-CD2 4.06Å; G173-L229 WeakPolarHBondContact O-CA 3.43Å; A215-L229 HydrophobicContact CB-CB 4.1Å; I218-L229 HydrophobicContact CG1-CD1 4.37Å; I218-L229 HydrophobicContact CG2-CB 4.14Å; I218-L229 HydrophobicContact CG2-CD1 4.04Å; I218-L229 HydrophobicContact CG2-CG 4.25Å; L225-L229 HydrophobicContact CD1-CD1 4.3Å; L229-L246 HydrophobicContact CD1-CD1 4.49Å; L229-L246 HydrophobicContact CD2-CD1 4.18Å
230Q96.3Very high97.9Very high148 Ų14848.6 Ų48.669%0.69228%0.282SS*.EExtended strand (participates in β ladder)trans-126.9176165.1-67-165.1-9.300110G173 T174 M175 A215G173-Q230 PolarHBondContact O-N 2.66Å; G173-Q230 VanDerWaalsContact O-N 3.16Å; T174-Q230 CarbonylContact C-O 3.56Å; T174-Q230 VanDerWaalsContact CA-O 3.28Å; T174-Q230 WeakPolarHBondContact CA-O 3.45Å; M175-Q230 PolarHBondContact N-O 2.75Å; A215-Q230 VanDerWaalsContact CB-O 3.31Å; A215-Q230 WeakPolarHBondContact CB-O 3.35Å
231G96.8Very high98Very high26 Ų2646.5 Ų46.527%0.26827%0.271SS..EExtended strand (participates in β ladder)trans171.1175.917300000114.6M175M175-G231 CarbonylContact O-C 3.52Å; M175-G231 WeakPolarHBondContact O-CA 3.42Å
232H98Very high98Very high80 Ų8046.3 Ų46.337%0.3727%0.27SS..EExtended strand (participates in β ladder)trans-139.6-178.7175.264.9-131.8000111M175 T176 T177 Q234M175-H232 PolarHBondContact O-N 2.93Å; M175-H232 VanDerWaalsContact O-N 3.08Å; T176-H232 WeakPolarHBondContact CA-O 3.5Å; T176-H232 PolarHBondContact OG1-NE2 3.03Å; T177-H232 PolarHBondContact N-O 3.43Å; T177-H232 VanDerWaalsContact N-O 3.08Å; H232-Q234 PolarHBondContact NE2-NE2 3.49Å; H232-Q234 VanDerWaalsContact NE2-NE2 3.14Å
233A98.6Very high98.1Very high1 Ų147 Ų471%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-122.1153.1172.100000110.8T177 P209 H210 T212T177-A233 HydrophobicContact CG2-CB 3.43Å; T177-A233 VanDerWaalsContact CG2-CB 3.43Å; T177-A233 CarbonylContact O-C 3.58Å; T177-A233 WeakPolarHBondContact O-CA 3.36Å; P209-A233 CarbonylContact C-O 3.58Å; P209-A233 WeakPolarHBondContact CA-O 3.12Å; H210-A233 HydrophobicContact CB-CB 4.18Å; H210-A233 PolarHBondContact N-O 3.01Å; H210-A233 PolarHBondContact O-N 3.02Å; T212-A233 HydrophobicContact CG2-CB 4.28Å
234Q98.8Very high98.2Very high43 Ų4342.4 Ų42.420%0.20124%0.244CC..EExtended strand (participates in β ladder)trans-116.4110.7163.6-58.9-62.4-20.600106.8T176 T177 V178 H179 T207 P209 H232T176-Q234 HydrophobicContact CG2-CG 4.01Å; T177-Q234 PolarHBondContact O-N 3.21Å; V178-Q234 WeakPolarHBondContact CA-O 3.47Å; H179-Q234 PolarHBondContact N-O 2.7Å; T207-Q234 HydrophobicContact CG2-CB 4.09Å; P209-Q234 VanDerWaalsContact CA-OE1 3.31Å; H232-Q234 PolarHBondContact NE2-NE2 3.49Å; H232-Q234 VanDerWaalsContact NE2-NE2 3.14Å
235R98.7Very high98.3Very high26 Ų2640.7 Ų40.710%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-81.9126.8176.6-63.5-71.5177.273.13.3109.4H179 A180 T182 T207 I208 H210H179-R235 CarbonylContact O-C 3.53Å; H179-R235 VanDerWaalsContact O-CA 3.24Å; H179-R235 WeakPolarHBondContact O-CA 3.24Å; A180-R235 VanDerWaalsContact O-CD 3.3Å; A180-R235 WeakPolarHBondContact O-CD 3.38Å; T182-R235 PolarHBondContact OG1-NH1 3.39Å; T207-R235 CarbonylContact C-O 3.48Å; T207-R235 WeakPolarHBondContact CA-O 3.24Å; I208-R235 HydrophobicContact CB-CB 4.27Å; I208-R235 PolarHBondContact N-O 2.96Å; I208-R235 PolarHBondContact O-N 2.83Å; H210-R235 HydrophobicContact CB-CG 4Å; H210-R235 PolarHBondContact CD2-NH2 3.4Å; H210-R235 PolarHBondContact NE2-NH2 3.29Å
236V98.8Very high98.3Very high26 Ų2640.8 Ų40.816%0.15824%0.236CC..EExtended strand (participates in β ladder)trans-123.9160.7-173.1-65.40000112.6V178 H179 Y181 T207 V238V178-V236 HydrophobicContact CG1-CB 4.48Å; V178-V236 HydrophobicContact CG1-CG1 3.78Å; V178-V236 HydrophobicContact CG1-CG2 3.83Å; H179-V236 PolarHBondContact O-N 2.96Å; Y181-V236 PolarHBondContact N-O 3.34Å; T207-V236 HydrophobicContact CG2-CG1 4.07Å; V236-V238 HydrophobicContact CG2-CG2 4.17Å; V236-V238 PolarHBondContact O-N 3.47Å
237P98.6Very high98.4Very high63 Ų6337.3 Ų37.341%0.40922%0.219SC..SBendtrans-71.450.6-175.2-24.238.8000116.9A204A204-P237 WeakPolarHBondContact O-CB 3.24Å
238V98.8Very high98.5Very high49 Ų4933.8 Ų33.830%0.29718%0.183SC..  trans-122146168.7-58.40000109.7A180 Y181 V236 D240A180-V238 WeakPolarHBondContact CA-O 3.43Å; A180-V238 HydrophobicContact CB-CG2 3.86Å; A180-V238 WeakPolarHBondContact CB-O 3.44Å; Y181-V238 WeakPolarHBondContact CD1-O 3.35Å; Y181-V238 WeakPolarHBondContact CE1-O 3.43Å; Y181-V238 PolarHBondContact N-O 3.43Å; V236-V238 HydrophobicContact CG2-CG2 4.17Å; V236-V238 PolarHBondContact O-N 3.47Å; V238-D240 VanDerWaalsContact C-N 3.32Å
239V98.7Very high98.5Very high70 Ų7033.3 Ų33.342%0.42418%0.184SC..SBendtrans-70-30-174.9-67.20000112.8T51 Y181T51-V239 HydrophobicContact CG2-CG2 4.46Å; Y181-V239 HydrophobicContact CE1-CG1 4.43Å; Y181-V239 VanDerWaalsContact OH-CG1 3.31Å; Y181-V239 WeakPolarHBondContact OH-CG1 3.19Å
240D98.9Very high98.6Very high1 Ų133.8 Ų33.81%0.00519%0.186CC..SBendtrans-165.3172-179-156.4-0.6000109.7T51 H52 A180 V238 I286 D317 N318T51-D240 HydrophobicContact CG2-CB 3.43Å; T51-D240 VanDerWaalsContact CG2-CB 3.43Å; T51-D240 WeakPolarHBondContact CG2-OD2 3.48Å; H52-D240 IonicContact CE1-OD2 3.75Å; H52-D240 PolarHBondContact CE1-OD2 3.25Å; H52-D240 VanDerWaalsContact CE1-OD2 3.27Å; H52-D240 IonicContact NE2-OD2 3.62Å; H52-D240 PolarHBondContact NE2-OD2 3Å; H52-D240 VanDerWaalsContact NE2-OD2 3.14Å; A180-D240 VanDerWaalsContact CB-CA 3.46Å; V238-D240 VanDerWaalsContact C-N 3.32Å; D240-I286 HydrophobicContact CB-CD1 4.1Å; D240-I286 HydrophobicContact CB-CG1 4.21Å; D240-D317 VanDerWaalsContact OD2-OD1 3.12Å; D240-N318 PolarHBondContact OD1-ND2 2.87Å; D240-N318 PolarHBondContact OD1-OD1 2.83Å; D240-N318 VanDerWaalsContact OD1-OD1 3.04Å
241G98.8Very high98.6Very high3 Ų333.4 Ų33.43%0.03118%0.183CC..  trans83.5120.4-176.900000111.5N318G241-N318 PolarHBondContact N-OD1 3.09Å
242S98.9Very high98.7Very high1 Ų135.3 Ų35.31%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-137.5166-173.3-670000111.4V178 H179 A180 W315 Y316 N318V178-S242 WeakPolarHBondContact O-CA 3.23Å; H179-S242 VanDerWaalsContact CA-OG 3.27Å; H179-S242 WeakPolarHBondContact CA-OG 3.47Å; H179-S242 PolarHBondContact ND1-OG 2.86Å; A180-S242 PolarHBondContact N-OG 3.05Å; S242-W315 CarbonylContact O-C 3.56Å; S242-W315 WeakPolarHBondContact O-CA 3.24Å; S242-Y316 PolarHBondContact N-O 2.99Å; S242-Y316 WeakPolarHBondContact O-CD1 3.46Å; S242-Y316 PolarHBondContact O-N 3.07Å; S242-N318 WeakPolarHBondContact CB-OD1 3.46Å; S242-N318 PolarHBondContact OG-OD1 2.9Å
243L98.9Very high98.7Very high19 Ų1937.8 Ų37.810%0.09920%0.199CC..EExtended strand (participates in β ladder)trans-137.1157.5170.668.688.3000111.7T177 V178 E245 V313 A314 W315T177-L243 CarbonylContact C-O 3.49Å; T177-L243 WeakPolarHBondContact CA-O 3.41Å; T177-L243 WeakPolarHBondContact CB-O 3.36Å; T177-L243 PolarHBondContact OG1-O 2.98Å; V178-L243 HydrophobicContact CB-CD1 4.12Å; V178-L243 HydrophobicContact CB-CG 4.05Å; V178-L243 HydrophobicContact CG2-CD1 4.14Å; V178-L243 PolarHBondContact N-O 3.17Å; V178-L243 PolarHBondContact O-N 3.48Å; L243-E245 HydrophobicContact CD1-CG 3.91Å; L243-V313 HydrophobicContact CB-CG1 4.28Å; L243-V313 HydrophobicContact CD1-CG1 4.09Å; L243-A314 CarbonylContact C-O 3.54Å; L243-A314 VanDerWaalsContact CA-O 3.27Å; L243-A314 WeakPolarHBondContact CA-O 3.49Å; L243-W315 HydrophobicContact CB-CD2 3.99Å; L243-W315 HydrophobicContact CB-CE3 3.65Å; L243-W315 HydrophobicContact CB-CZ3 3.95Å; L243-W315 HydrophobicContact CD2-CE3 4.04Å; L243-W315 HydrophobicContact CD2-CH2 3.43Å; L243-W315 VanDerWaalsContact CD2-CH2 3.43Å; L243-W315 HydrophobicContact CD2-CZ2 4.03Å; L243-W315 HydrophobicContact CD2-CZ3 3.43Å; L243-W315 VanDerWaalsContact CD2-CZ3 3.43Å; L243-W315 HydrophobicContact CG-CE3 4.44Å; L243-W315 HydrophobicContact CG-CZ3 4.24Å
244T98.9Very high98.7Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-125117.6173.4-56.70000109.6C156 L157 M160 M175 V313 A314 Y316C156-T244 PolarHBondContact SG-OG1 3.26Å; L157-T244 HydrophobicContact CB-CG2 4.49Å; L157-T244 HydrophobicContact CD1-CG2 4.18Å; M160-T244 HydrophobicContact CE-CG2 4.39Å; M175-T244 HydrophobicContact CB-CG2 4.08Å; M175-T244 HydrophobicContact SD-CG2 3.87Å; T244-V313 WeakPolarHBondContact O-CA 3.42Å; T244-A314 PolarHBondContact N-O 3.5Å; T244-A314 PolarHBondContact O-N 3.39Å; T244-A314 VanDerWaalsContact O-N 3.09Å; T244-Y316 WeakPolarHBondContact OG1-CE1 2.85Å
245E98.9Very high98.7Very high48 Ų4839.5 Ų39.522%0.22421%0.212CC..EExtended strand (participates in β ladder)trans-85.7133.9165.7-60.1-173.5-158.800109.3M175 T176 L243 K311 T312 V313M175-E245 CarbonylContact C-O 3.49Å; M175-E245 WeakPolarHBondContact CA-O 3.43Å; M175-E245 VanDerWaalsContact CB-O 3.26Å; M175-E245 WeakPolarHBondContact CB-O 3.36Å; T176-E245 PolarHBondContact N-O 3.18Å; T176-E245 PolarHBondContact O-N 3.34Å; L243-E245 HydrophobicContact CD1-CG 3.91Å; E245-K311 WeakPolarHBondContact OE2-CE 3.5Å; E245-K311 IonicContact OE2-NZ 3.42Å; E245-K311 PolarHBondContact OE2-NZ 3.22Å; E245-T312 WeakPolarHBondContact CA-O 3.25Å; E245-V313 HydrophobicContact CG-CG2 4.03Å
246L98.9Very high98.7Very high1 Ų139.6 Ų39.61%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-118.5112.8169.5175.362.2000109.2L157 M160 A161 L164 I170 L229 K311 T312L157-L246 HydrophobicContact CD1-CB 4.44Å; L157-L246 HydrophobicContact CD1-CD1 4.38Å; L157-L246 HydrophobicContact CD1-CD2 4.27Å; M160-L246 HydrophobicContact CE-CB 3.62Å; M160-L246 HydrophobicContact CE-CD2 4.39Å; A161-L246 HydrophobicContact CB-CD2 4.12Å; L164-L246 HydrophobicContact CD2-CD2 4Å; I170-L246 HydrophobicContact CD1-CD2 4.35Å; L229-L246 HydrophobicContact CD1-CD1 4.49Å; L229-L246 HydrophobicContact CD2-CD1 4.18Å; L246-K311 VanDerWaalsContact O-CA 3.31Å; L246-K311 WeakPolarHBondContact O-CA 3.31Å; L246-T312 PolarHBondContact N-O 2.87Å; L246-T312 PolarHBondContact O-N 3.4Å
247V98.9Very high98.7Very high40 Ų4043.8 Ų43.824%0.24224%0.24CC..EExtended strand (participates in β ladder)trans-98.3124.7170.9-179.20000108.3G173 T174 L309 V310 K311G173-V247 CarbonylContact C-O 3.58Å; G173-V247 WeakPolarHBondContact CA-O 3.33Å; T174-V247 HydrophobicContact CG2-CB 4.31Å; T174-V247 PolarHBondContact N-O 3.09Å; T174-V247 PolarHBondContact O-N 2.83Å; V247-L309 HydrophobicContact CG1-CD2 4.32Å; V247-V310 CarbonylContact C-O 3.49Å; V247-V310 WeakPolarHBondContact CA-O 3.24Å; V247-K311 HydrophobicContact CG2-CB 4.26Å; V247-K311 HydrophobicContact CG2-CG 4.08Å
248S98.8Very high98.7Very high2 Ų245.2 Ų45.21%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-138.2151.7-170.557.40000112.7V172 V310V172-S248 WeakPolarHBondContact O-CA 3.3Å; S248-V310 PolarHBondContact N-O 3.28Å; S248-V310 PolarHBondContact O-N 3.48Å; S248-V310 PolarHBondContact OG-O 3.07Å
249V98.8Very high98.7Very high46 Ų4642.9 Ų42.928%0.27923%0.227SC..EExtended strand (participates in β ladder)trans-99.6124.3161.5179.80000106.8E171 V172 L309E171-V249 HydrophobicContact CB-CG1 4.43Å; E171-V249 PolarHBondContact N-O 3.14Å; V172-V249 HydrophobicContact CG1-CB 3.96Å; V172-V249 HydrophobicContact CG1-CG2 3.95Å; V172-V249 PolarHBondContact O-N 2.79Å; V249-L309 HydrophobicContact CG2-CD2 3.95Å
250L98.7Very high98.7Very high16 Ų1640.6 Ų40.68%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-104.4152.1-179.2-53-178.1000110.4L164 F168 G169 I170 T252 V254 V310L164-L250 HydrophobicContact CD1-CD1 4.23Å; L164-L250 HydrophobicContact CD2-CD2 4.08Å; L164-L250 HydrophobicContact CG-CD2 4.09Å; F168-L250 HydrophobicContact CB-CB 4.24Å; F168-L250 HydrophobicContact CB-CD1 3.75Å; F168-L250 HydrophobicContact CB-CG 4.4Å; F168-L250 HydrophobicContact CD2-CD1 4.18Å; F168-L250 HydrophobicContact CG-CD1 4.17Å; G169-L250 CarbonylContact O-C 3.06Å; G169-L250 VanDerWaalsContact O-CA 3.25Å; G169-L250 WeakPolarHBondContact O-CA 3.24Å; I170-L250 HydrophobicContact CG1-CD2 3.83Å; L250-T252 PolarHBondContact O-N 2.76Å; L250-V254 HydrophobicContact CD1-CG2 4.1Å; L250-V310 HydrophobicContact CD1-CB 3.97Å; L250-V310 HydrophobicContact CD1-CG1 4.1Å; L250-V310 HydrophobicContact CD1-CG2 3.66Å; L250-V310 HydrophobicContact CG-CB 4.26Å; L250-V310 HydrophobicContact CG-CG2 4.02Å
251K98.3Very high98.7Very high141 Ų14147.3 Ų47.361%0.61324%0.244SC*.SBendtrans-68.1-24173.3-65.6-179.1179.1177.60112.4F168 G169 E171F168-K251 PolarHBondContact O-N 3.45Å; G169-K251 PolarHBondContact O-N 3.05Å; E171-K251 HydrophobicContact CG-CG 3.49Å; E171-K251 VanDerWaalsContact CG-CG 3.49Å
252T97.8Very high98.7Very high65 Ų6547.7 Ų47.740%0.39925%0.247SC..SBendtrans-107.8133-176.4-52.60000110.1F168 L250 V254F168-T252 HydrophobicContact CD1-CG2 4.28Å; F168-T252 PolarHBondContact O-N 3.13Å; F168-T252 PolarHBondContact O-OG1 3.36Å; F168-T252 VanDerWaalsContact O-OG1 3.13Å; L250-T252 PolarHBondContact O-N 2.76Å; T252-V254 HydrophobicContact CG2-CG1 4.24Å
253K98.2Very high98.7Very high133 Ų13347.7 Ų47.758%0.57825%0.247SC*.  trans-75.7125.3171.9-164.2170.6-168.41620109.4G305K253-G305 PolarHBondContact NZ-O 2.89Å; K253-G305 VanDerWaalsContact NZ-O 3.12Å
254V98.7Very high98.7Very high8 Ų850.8 Ų50.85%0.04826%0.259CS..  trans-129.3172-172.2-64.90000112.1F168 L250 T252 V259 V301 Q308 V310F168-V254 HydrophobicContact CD1-CG1 3.48Å; F168-V254 VanDerWaalsContact CD1-CG1 3.48Å; F168-V254 HydrophobicContact CE1-CG1 3.56Å; F168-V254 HydrophobicContact CG-CG1 3.99Å; F168-V254 HydrophobicContact CZ-CG1 4.12Å; L250-V254 HydrophobicContact CD1-CG2 4.1Å; T252-V254 HydrophobicContact CG2-CG1 4.24Å; V254-V259 HydrophobicContact CB-CG2 3.93Å; V254-V259 HydrophobicContact CG1-CG2 4.43Å; V254-V259 HydrophobicContact CG2-CG2 3.57Å; V254-V301 HydrophobicContact CG2-CG2 4.35Å; V254-Q308 PolarHBondContact O-NE2 3.4Å; V254-V310 HydrophobicContact CG2-CG2 3.67Å
255T98.7Very high98.6Very high71 Ų7156 Ų5644%0.43628%0.282SS..  trans-115.7163.9164.357.40000109.2D257 Q258 V259T255-D257 VanDerWaalsContact C-N 3.31Å; T255-D257 PolarHBondContact O-N 3.11Å; T255-Q258 PolarHBondContact O-N 2.99Å; T255-Q258 VanDerWaalsContact OG1-CG 3.25Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.42Å; T255-Q258 PolarHBondContact OG1-N 3.49Å; T255-Q258 PolarHBondContact OG1-OE1 3.16Å; T255-V259 WeakPolarHBondContact O-CG2 3.16Å; T255-V259 PolarHBondContact O-N 3.12Å; T255-V259 VanDerWaalsContact O-N 3.12Å
256A98.8Very high98.6Very high28 Ų2855.8 Ų55.823%0.23128%0.281CS..Hα-helixtrans-59.3-42.8178.500000111.9Q258 V259 N260 T299 V301A256-Q258 PolarHBondContact O-N 3Å; A256-V259 PolarHBondContact O-N 3.06Å; A256-N260 WeakPolarHBondContact O-CB 3.36Å; A256-N260 VanDerWaalsContact O-CG 3.29Å; A256-N260 PolarHBondContact O-N 3.44Å; A256-T299 HydrophobicContact CB-CG2 4.06Å; A256-V301 HydrophobicContact CB-CG2 4.2Å
257D98.7Very high98.6Very high114 Ų11456.3 Ų56.361%0.6128%0.284SS*.Hα-helixtrans-61.3-42.8177.9-63.4-23000112T255 V259 N260 E261T255-D257 VanDerWaalsContact C-N 3.31Å; T255-D257 PolarHBondContact O-N 3.11Å; D257-V259 PolarHBondContact O-N 3.16Å; D257-N260 PolarHBondContact O-N 3.07Å; D257-E261 WeakPolarHBondContact O-CB 3.3Å; D257-E261 WeakPolarHBondContact O-CG 3.5Å; D257-E261 PolarHBondContact O-N 3.37Å
258Q98.6Very high98.5Very high93 Ų9358.8 Ų58.844%0.43530%0.299SS..Hα-helixtrans-62.1-41.8176.3-75.5170.3-46.200112.4T255 A256 A262T255-Q258 PolarHBondContact O-N 2.99Å; T255-Q258 VanDerWaalsContact OG1-CG 3.25Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.42Å; T255-Q258 PolarHBondContact OG1-N 3.49Å; T255-Q258 PolarHBondContact OG1-OE1 3.16Å; A256-Q258 PolarHBondContact O-N 3Å; Q258-A262 WeakPolarHBondContact O-CB 3.5Å; Q258-A262 PolarHBondContact O-N 2.87Å
259V98.8Very high98.4Very high0 Ų066.3 Ų66.30%034%0.339CS..Hα-helixtrans-63.6-47.5175.6173.70000110L164 F168 V254 T255 A256 D257 E261 A262 I263 T299 V310 T312L164-V259 HydrophobicContact CD1-CG1 4.11Å; F168-V259 HydrophobicContact CE2-CB 4.4Å; F168-V259 HydrophobicContact CE2-CG2 4.07Å; F168-V259 HydrophobicContact CZ-CG2 4.43Å; V254-V259 HydrophobicContact CB-CG2 3.93Å; V254-V259 HydrophobicContact CG1-CG2 4.43Å; V254-V259 HydrophobicContact CG2-CG2 3.57Å; T255-V259 WeakPolarHBondContact O-CG2 3.16Å; T255-V259 PolarHBondContact O-N 3.12Å; T255-V259 VanDerWaalsContact O-N 3.12Å; A256-V259 PolarHBondContact O-N 3.06Å; D257-V259 PolarHBondContact O-N 3.16Å; V259-E261 PolarHBondContact O-N 3.14Å; V259-A262 PolarHBondContact O-N 3.26Å; V259-I263 HydrophobicContact CG1-CG1 4.3Å; V259-I263 WeakPolarHBondContact O-CG1 3.34Å; V259-I263 PolarHBondContact O-N 3.28Å; V259-T299 HydrophobicContact CB-CG2 4.12Å; V259-T299 HydrophobicContact CG1-CG2 4Å; V259-V310 HydrophobicContact CG1-CG1 4.45Å; V259-V310 HydrophobicContact CG2-CG1 4.04Å; V259-T312 HydrophobicContact CG1-CG2 3.63Å
260N98.8Very high98.4Very high23 Ų2365.3 Ų65.312%0.12333%0.332CS..Hα-helixtrans-60.2-47.7-179.5-75.5-16.1000112.2A256 D257 K264 P296 T299A256-N260 WeakPolarHBondContact O-CB 3.36Å; A256-N260 VanDerWaalsContact O-CG 3.29Å; A256-N260 PolarHBondContact O-N 3.44Å; D257-N260 PolarHBondContact O-N 3.07Å; N260-K264 WeakPolarHBondContact O-CB 3.37Å; N260-K264 PolarHBondContact O-N 2.86Å; N260-P296 HydrophobicContact CB-CB 4.14Å; N260-P296 PolarHBondContact ND2-O 2.88Å; N260-P296 VanDerWaalsContact ND2-O 3.12Å; N260-P296 WeakPolarHBondContact OD1-CA 3.5Å; N260-P296 WeakPolarHBondContact OD1-CB 3.45Å; N260-T299 WeakPolarHBondContact OD1-CB 3.4Å; N260-T299 PolarHBondContact OD1-OG1 3.02Å
261E98.6Very high98.3Very high142 Ų14267.4 Ų67.466%0.66435%0.347SS*.Hα-helixtrans-63.4-43.8177.5-73.2179.9170.300112.1D257 V259 K264 K265D257-E261 WeakPolarHBondContact O-CB 3.3Å; D257-E261 WeakPolarHBondContact O-CG 3.5Å; D257-E261 PolarHBondContact O-N 3.37Å; V259-E261 PolarHBondContact O-N 3.14Å; E261-K264 PolarHBondContact O-N 2.93Å; E261-K265 PolarHBondContact O-N 3.31Å
262A98.6Very high98.4Very high11 Ų1160.9 Ų60.99%0.09132%0.319CS..Hα-helixtrans-68.4-36.3-178.400000112.8E167 F168 Q258 V259 K265 H266E167-A262 HydrophobicContact CB-CB 4.31Å; E167-A262 HydrophobicContact CG-CB 3.99Å; F168-A262 HydrophobicContact CE1-CB 4.4Å; F168-A262 HydrophobicContact CE2-CB 3.74Å; F168-A262 HydrophobicContact CZ-CB 3.39Å; Q258-A262 WeakPolarHBondContact O-CB 3.5Å; Q258-A262 PolarHBondContact O-N 2.87Å; V259-A262 PolarHBondContact O-N 3.26Å; A262-K265 VanDerWaalsContact O-CE 3.28Å; A262-K265 WeakPolarHBondContact O-CE 3.26Å; A262-K265 VanDerWaalsContact O-CG 3.3Å; A262-K265 WeakPolarHBondContact O-CG 3.43Å; A262-H266 PolarHBondContact O-CD2 3.26Å
263I98.6Very high98.4Very high1 Ų157.8 Ų57.81%0.00530%0.3CS..Hα-helixtrans-77.2-40.9175.6-62-60.1000111F163 L164 V259 K265 H266 F273 F294F163-I263 HydrophobicContact CB-CD1 4Å; L164-I263 HydrophobicContact CB-CD1 4.05Å; L164-I263 HydrophobicContact CD1-CD1 4.19Å; V259-I263 HydrophobicContact CG1-CG1 4.3Å; V259-I263 WeakPolarHBondContact O-CG1 3.34Å; V259-I263 PolarHBondContact O-N 3.28Å; I263-K265 VanDerWaalsContact C-N 3.26Å; I263-K265 PolarHBondContact O-N 2.91Å; I263-H266 PolarHBondContact O-N 2.95Å; I263-F273 HydrophobicContact CG2-CE1 3.75Å; I263-F273 HydrophobicContact CG2-CZ 3.69Å; I263-F294 HydrophobicContact CB-CD1 4.26Å; I263-F294 HydrophobicContact CB-CE1 3.95Å; I263-F294 HydrophobicContact CB-CE2 4.28Å; I263-F294 HydrophobicContact CB-CZ 3.96Å; I263-F294 HydrophobicContact CG1-CE2 4.42Å; I263-F294 HydrophobicContact CG1-CZ 4.27Å; I263-F294 HydrophobicContact CG2-CB 4.26Å; I263-F294 HydrophobicContact CG2-CD1 3.71Å; I263-F294 HydrophobicContact CG2-CD2 3.68Å; I263-F294 HydrophobicContact CG2-CE1 3.88Å; I263-F294 HydrophobicContact CG2-CE2 3.85Å; I263-F294 HydrophobicContact CG2-CG 3.6Å; I263-F294 HydrophobicContact CG2-CZ 3.94Å
264K98.6Very high98.4Very high83 Ų8351.7 Ų51.736%0.36128%0.275SS..Hα-helixtrans-53.4-41.3-178.7-178174.1-167.3156.50112.5N260 E261 H266 T267 V268 Y275N260-K264 WeakPolarHBondContact O-CB 3.37Å; N260-K264 PolarHBondContact O-N 2.86Å; E261-K264 PolarHBondContact O-N 2.93Å; K264-H266 PolarHBondContact O-N 3.45Å; K264-H266 VanDerWaalsContact O-N 3.14Å; K264-T267 WeakPolarHBondContact O-CB 3.48Å; K264-T267 PolarHBondContact O-N 3.1Å; K264-T267 PolarHBondContact O-OG1 2.89Å; K264-V268 PolarHBondContact O-N 2.88Å; K264-Y275 HydrophobicContact CB-CD2 4.08Å; K264-Y275 HydrophobicContact CB-CE2 3.81Å; K264-Y275 HydrophobicContact CD-CD2 4.38Å; K264-Y275 HydrophobicContact CD-CE1 4.2Å; K264-Y275 HydrophobicContact CD-CE2 3.74Å; K264-Y275 HydrophobicContact CG-CD2 3.87Å; K264-Y275 HydrophobicContact CG-CE2 3.67Å; K264-Y275 HydrophobicContact CG-CG 4.41Å; K264-Y275 PolarHBondContact NZ-OH 3.32Å
265K98.2Very high98.4Very high109 Ų10954.2 Ų54.247%0.47428%0.284SS..THydrogen-bonded Turntrans-59.5-27.5-179.378.4-164.8179.4178.30113.7E167 E261 A262 I263 T267E167-K265 VanDerWaalsContact CD-CE 3.42Å; E167-K265 WeakPolarHBondContact OE1-CE 3.49Å; E167-K265 IonicContact OE1-NZ 2.67Å; E167-K265 PolarHBondContact OE1-NZ 3.49Å; E167-K265 IonicContact OE2-NZ 2.72Å; E167-K265 PolarHBondContact OE2-NZ 3.11Å; E261-K265 PolarHBondContact O-N 3.31Å; A262-K265 VanDerWaalsContact O-CE 3.28Å; A262-K265 WeakPolarHBondContact O-CE 3.26Å; A262-K265 VanDerWaalsContact O-CG 3.3Å; A262-K265 WeakPolarHBondContact O-CG 3.43Å; I263-K265 VanDerWaalsContact C-N 3.26Å; I263-K265 PolarHBondContact O-N 2.91Å; K265-T267 VanDerWaalsContact C-N 3.33Å
266H98.5Very high98.4Very high44 Ų4451.7 Ų51.720%0.20427%0.268CS..THydrogen-bonded Turntrans-84.9-7.5178.8-62.7-64.9000113.7F163 E167 A262 I263 K264 N270F163-H266 HydrophobicContact CB-CB 4.23Å; F163-H266 HydrophobicContact CD1-CB 3.66Å; F163-H266 AromaticContact CD1-CD2 3.63Å; F163-H266 AromaticContact CD1-CE1 3.74Å; F163-H266 AromaticContact CD1-CG 3.31Å; F163-H266 AromaticContact CD1-ND1 3.43Å; F163-H266 WeakPolarHBondContact CD1-ND1 3.22Å; F163-H266 AromaticContact CD1-NE2 3.86Å; F163-H266 HydrophobicContact CD2-CB 3.67Å; F163-H266 HydrophobicContact CE1-CB 3.85Å; F163-H266 AromaticContact CE1-CG 3.74Å; F163-H266 AromaticContact CE1-ND1 3.56Å; F163-H266 HydrophobicContact CE2-CB 3.88Å; F163-H266 HydrophobicContact CG-CB 3.58Å; F163-H266 AromaticContact CG-CD2 3.74Å; F163-H266 AromaticContact CG-CG 3.59Å; F163-H266 HydrophobicContact CZ-CB 3.97Å; E167-H266 IonicContact OE1-CD2 2.66Å; E167-H266 IonicContact OE1-CE1 3.21Å; E167-H266 IonicContact OE1-NE2 3.51Å; E167-H266 PolarHBondContact OE1-NE2 2.88Å; A262-H266 PolarHBondContact O-CD2 3.26Å; I263-H266 PolarHBondContact O-N 2.95Å; K264-H266 PolarHBondContact O-N 3.45Å; K264-H266 VanDerWaalsContact O-N 3.14Å; H266-N270 WeakPolarHBondContact O-CB 3.39Å; H266-N270 PolarHBondContact O-ND2 2.8Å
267T98.7Very high98.4Very high13 Ų1354.3 Ų54.38%0.0828%0.278CS..THydrogen-bonded Turntrans-95.1-19.6176.370.70000112.8K264 K265 D269 N270 F273 G274 Y275 F294K264-T267 WeakPolarHBondContact O-CB 3.48Å; K264-T267 PolarHBondContact O-N 3.1Å; K264-T267 PolarHBondContact O-OG1 2.89Å; K265-T267 VanDerWaalsContact C-N 3.33Å; T267-D269 PolarHBondContact O-N 2.95Å; T267-N270 PolarHBondContact O-N 3.45Å; T267-F273 VanDerWaalsContact CA-O 3.25Å; T267-F273 WeakPolarHBondContact CA-O 3.37Å; T267-F273 WeakPolarHBondContact CB-O 3.38Å; T267-F273 HydrophobicContact CG2-CD1 3.6Å; T267-F273 HydrophobicContact CG2-CD2 4.5Å; T267-F273 HydrophobicContact CG2-CE1 3.57Å; T267-F273 HydrophobicContact CG2-CG 4.1Å; T267-F273 HydrophobicContact CG2-CZ 4.07Å; T267-G274 WeakPolarHBondContact CG2-O 3.38Å; T267-Y275 VanDerWaalsContact OG1-CB 3.29Å; T267-Y275 WeakPolarHBondContact OG1-CB 3.49Å; T267-F294 HydrophobicContact CG2-CB 4.27Å
268V98Very high98.4Very high91 Ų9157.5 Ų57.555%0.55228%0.282SS*.THydrogen-bonded Turntrans-65.3125.1-179.7-179.40000108.9K264 N270K264-V268 PolarHBondContact O-N 2.88Å; V268-N270 PolarHBondContact O-N 2.84Å; V268-N270 VanDerWaalsContact O-N 3.07Å
269D95.9Very high98.4Very high161 Ų16160.7 Ų60.786%0.86130%0.297SS*.THydrogen-bonded Turntrans55.121.5-176.7-56.7-42.5000114.6T267 P271T267-D269 PolarHBondContact O-N 2.95Å; D269-P271 VanDerWaalsContact O-CD 3.31Å; D269-P271 WeakPolarHBondContact O-CD 3.41Å
270N98.3Very high98.4Very high25 Ų2561.6 Ų61.613%0.13430%0.301CS..  trans-95.3108.9177.9-170.1-27000110.5N134 H266 T267 V268 S272 F273N134-N270 PolarHBondContact ND2-OD1 3.3Å; H266-N270 WeakPolarHBondContact O-CB 3.39Å; H266-N270 PolarHBondContact O-ND2 2.8Å; T267-N270 PolarHBondContact O-N 3.45Å; V268-N270 PolarHBondContact O-N 2.84Å; V268-N270 VanDerWaalsContact O-N 3.07Å; N270-S272 PolarHBondContact O-N 3.34Å; N270-S272 PolarHBondContact OD1-N 2.85Å; N270-F273 HydrophobicContact CB-CB 4.46Å; N270-F273 WeakPolarHBondContact CB-O 3.34Å; N270-F273 PolarHBondContact OD1-N 2.72Å; N270-F273 VanDerWaalsContact OD1-N 3.11Å
271P97.6Very high98.4Very high60 Ų6064.6 Ų64.639%0.3932%0.32SS..SBendtrans-68.6-15.6-178.228.9-37.6000113.6N134 D269 R328N134-P271 WeakPolarHBondContact ND2-CD 3.46Å; D269-P271 VanDerWaalsContact O-CD 3.31Å; D269-P271 WeakPolarHBondContact O-CD 3.41Å; P271-R328 PolarHBondContact O-NH1 3.13Å; P271-R328 PolarHBondContact O-NH2 3.2Å
272S98.7Very high98.4Very high3 Ų359.5 Ų59.52%0.02130%0.3CS..SBendtrans-100.6-29.5-178-67.40000113.4Y133 N270 G291 S292 Q325Y133-S272 PolarHBondContact O-OG 3.37Å; N270-S272 PolarHBondContact O-N 3.34Å; N270-S272 PolarHBondContact OD1-N 2.85Å; S272-G291 PolarHBondContact O-N 3.01Å; S272-S292 PolarHBondContact O-N 2.91Å; S272-Q325 PolarHBondContact OG-NE2 2.99Å; S272-Q325 PolarHBondContact OG-OE1 2.91Å
273F98.8Very high98.4Very high0 Ų061 Ų610%032%0.317CS..EExtended strand (participates in β ladder)trans-124.999.6-177.3-173.3-143.6000110.8P159 M160 F163 I263 T267 N270 S292 F294P159-F273 HydrophobicContact CB-CB 3.92Å; P159-F273 HydrophobicContact CB-CD1 4.11Å; P159-F273 HydrophobicContact CB-CD2 4Å; P159-F273 HydrophobicContact CB-CG 3.76Å; P159-F273 HydrophobicContact CG-CB 4.39Å; P159-F273 HydrophobicContact CG-CD2 4.05Å; P159-F273 HydrophobicContact CG-CG 4.26Å; M160-F273 HydrophobicContact CB-CE2 4.42Å; M160-F273 HydrophobicContact CB-CZ 4.32Å; F163-F273 AromaticContact CD2-CD1 3.62Å; F163-F273 HydrophobicContact CD2-CD1 3.62Å; F163-F273 AromaticContact CD2-CE1 3.68Å; F163-F273 HydrophobicContact CD2-CE1 3.68Å; F163-F273 AromaticContact CE2-CD1 3.72Å; F163-F273 HydrophobicContact CE2-CD1 3.72Å; F163-F273 HydrophobicContact CE2-CE1 4.27Å; I263-F273 HydrophobicContact CG2-CE1 3.75Å; I263-F273 HydrophobicContact CG2-CZ 3.69Å; T267-F273 VanDerWaalsContact CA-O 3.25Å; T267-F273 WeakPolarHBondContact CA-O 3.37Å; T267-F273 WeakPolarHBondContact CB-O 3.38Å; T267-F273 HydrophobicContact CG2-CD1 3.6Å; T267-F273 HydrophobicContact CG2-CD2 4.5Å; T267-F273 HydrophobicContact CG2-CE1 3.57Å; T267-F273 HydrophobicContact CG2-CG 4.1Å; T267-F273 HydrophobicContact CG2-CZ 4.07Å; N270-F273 HydrophobicContact CB-CB 4.46Å; N270-F273 WeakPolarHBondContact CB-O 3.34Å; N270-F273 PolarHBondContact OD1-N 2.72Å; N270-F273 VanDerWaalsContact OD1-N 3.11Å; F273-S292 CarbonylContact C-O 3.48Å; F273-S292 VanDerWaalsContact CA-O 3.31Å; F273-S292 WeakPolarHBondContact CA-O 3.28Å; F273-F294 HydrophobicContact CE2-CB 3.71Å; F273-F294 HydrophobicContact CZ-CB 3.68Å; F273-F294 HydrophobicContact CZ-CD2 4.37Å; F273-F294 HydrophobicContact CZ-CG 4.26Å
274G98.7Very high98.4Very high6 Ų665.7 Ų65.76%0.06234%0.342CS..EExtended strand (participates in β ladder)trans-86.5-177.8-179.800000113.6T267 S292 F294T267-G274 WeakPolarHBondContact CG2-O 3.38Å; G274-S292 PolarHBondContact N-O 2.85Å; G274-F294 PolarHBondContact O-N 2.88Å
275Y98.8Very high98.4Very high61 Ų6161.8 Ų61.824%0.23933%0.325CS..EExtended strand (participates in β ladder)trans-145.3135.8178.4176-86000109.2K264 T267 D277 F294 P296K264-Y275 HydrophobicContact CB-CD2 4.08Å; K264-Y275 HydrophobicContact CB-CE2 3.81Å; K264-Y275 HydrophobicContact CD-CD2 4.38Å; K264-Y275 HydrophobicContact CD-CE1 4.2Å; K264-Y275 HydrophobicContact CD-CE2 3.74Å; K264-Y275 HydrophobicContact CG-CD2 3.87Å; K264-Y275 HydrophobicContact CG-CE2 3.67Å; K264-Y275 HydrophobicContact CG-CG 4.41Å; K264-Y275 PolarHBondContact NZ-OH 3.32Å; T267-Y275 VanDerWaalsContact OG1-CB 3.29Å; T267-Y275 WeakPolarHBondContact OG1-CB 3.49Å; Y275-D277 HydrophobicContact CE1-CB 3.77Å; Y275-F294 WeakPolarHBondContact CA-O 3.45Å; Y275-F294 AromaticContact CD2-CD1 3.9Å; Y275-F294 HydrophobicContact CD2-CD1 3.9Å; Y275-F294 HydrophobicContact CE2-CD1 4.11Å; Y275-P296 HydrophobicContact CE1-CG 4.42Å; Y275-P296 HydrophobicContact CE2-CB 4.06Å; Y275-P296 HydrophobicContact CE2-CG 3.66Å
276D98.6Very high98.5Very high17 Ų1759.2 Ų59.29%0.09132%0.316CS..  trans-146.5116.1174.7-154.7-37000111R278 I280 I293 F294 P296D276-R278 VanDerWaalsContact OD1-CB 3.31Å; D276-R278 WeakPolarHBondContact OD1-CB 3.43Å; D276-R278 WeakPolarHBondContact OD1-CG 3.47Å; D276-R278 IonicContact OD1-CZ 3.52Å; D276-R278 PolarHBondContact OD1-N 3.45Å; D276-R278 VanDerWaalsContact OD1-N 3.14Å; D276-R278 IonicContact OD1-NE 3.43Å; D276-R278 PolarHBondContact OD1-NE 3.17Å; D276-R278 IonicContact OD1-NH2 2.66Å; D276-R278 IonicContact OD2-CZ 2.76Å; D276-R278 IonicContact OD2-NE 3.65Å; D276-R278 PolarHBondContact OD2-NE 2.82Å; D276-R278 IonicContact OD2-NH2 3.87Å; D276-R278 PolarHBondContact OD2-NH2 2.86Å; D276-I280 HydrophobicContact CB-CD1 3.84Å; D276-I280 HydrophobicContact CB-CG1 4.33Å; D276-I280 WeakPolarHBondContact OD2-CG2 3.25Å; D276-I293 HydrophobicContact CB-CG2 3.84Å; D276-F294 PolarHBondContact N-O 2.78Å; D276-P296 VanDerWaalsContact O-CD 3.32Å; D276-P296 WeakPolarHBondContact O-CD 3.24Å
277D98.4Very high98.5Very high83 Ų8358.9 Ų58.944%0.44432%0.324SS..  trans-105.613.6-178.860.3-0.2000113.3Y275 E279 P296Y275-D277 HydrophobicContact CE1-CB 3.77Å; D277-E279 VanDerWaalsContact C-N 3.32Å; D277-E279 PolarHBondContact O-N 3.13Å; D277-P296 HydrophobicContact CB-CG 3.65Å
278R98.5Very high98.5Very high182 Ų18259.8 Ų59.869%0.68733%0.33SS*.SBendtrans-92.217.5-171.9-58.1173.5-67.8173.2-0.6114.3D276 I280D276-R278 VanDerWaalsContact OD1-CB 3.31Å; D276-R278 WeakPolarHBondContact OD1-CB 3.43Å; D276-R278 WeakPolarHBondContact OD1-CG 3.47Å; D276-R278 IonicContact OD1-CZ 3.52Å; D276-R278 PolarHBondContact OD1-N 3.45Å; D276-R278 VanDerWaalsContact OD1-N 3.14Å; D276-R278 IonicContact OD1-NE 3.43Å; D276-R278 PolarHBondContact OD1-NE 3.17Å; D276-R278 IonicContact OD1-NH2 2.66Å; D276-R278 IonicContact OD2-CZ 2.76Å; D276-R278 IonicContact OD2-NE 3.65Å; D276-R278 PolarHBondContact OD2-NE 2.82Å; D276-R278 IonicContact OD2-NH2 3.87Å; D276-R278 PolarHBondContact OD2-NH2 2.86Å; R278-I280 VanDerWaalsContact C-N 3.34Å; R278-I280 HydrophobicContact CB-CG2 4.33Å; R278-I280 PolarHBondContact O-N 2.68Å
279E98.4Very high98.5Very high160 Ų16057.2 Ų57.275%0.74831%0.314SS*.  trans56.645.2-177-57.4-179.9169.500112.6D277 T297D277-E279 VanDerWaalsContact C-N 3.32Å; D277-E279 PolarHBondContact O-N 3.13Å; E279-T297 HydrophobicContact CG-CG2 4.16Å
280I98.8Very high98.6Very high18 Ų1852 Ų529%0.09229%0.285CS..  trans-66.4163.3179.961.5165.2000112.9D276 R278 D284 V285 W315D276-I280 HydrophobicContact CB-CD1 3.84Å; D276-I280 HydrophobicContact CB-CG1 4.33Å; D276-I280 WeakPolarHBondContact OD2-CG2 3.25Å; R278-I280 VanDerWaalsContact C-N 3.34Å; R278-I280 HydrophobicContact CB-CG2 4.33Å; R278-I280 PolarHBondContact O-N 2.68Å; I280-D284 HydrophobicContact CB-CB 4.09Å; I280-D284 HydrophobicContact CG2-CB 4.33Å; I280-V285 HydrophobicContact CD1-CG1 3.71Å; I280-W315 HydrophobicContact CD1-CG 4.19Å
281V98.9Very high98.7Very high87 Ų8750.9 Ų50.953%0.52728%0.279SS..  trans-122.7174.4173.1-62.20000111.6G283 D284V281-G283 PolarHBondContact O-N 3.3Å; V281-G283 VanDerWaalsContact O-N 3.09Å; V281-D284 WeakPolarHBondContact CG2-OD2 3.45Å; V281-D284 PolarHBondContact N-OD2 2.96Å; V281-D284 WeakPolarHBondContact O-CB 3.39Å; V281-D284 PolarHBondContact O-N 2.89Å
282S98.9Very high98.7Very high34 Ų3448 Ų4824%0.23826%0.261CS..THydrogen-bonded Turntrans-58.8-28.3-173.465.70000114.5D284 V285S282-D284 VanDerWaalsContact C-N 3.28Å; S282-D284 PolarHBondContact O-N 3.32Å; S282-V285 VanDerWaalsContact O-CG2 3.28Å; S282-V285 WeakPolarHBondContact O-CG2 3.47Å
283G98.6Very high98.7Very high44 Ų4448.3 Ų48.345%0.45426%0.262SS..THydrogen-bonded Turntrans-67.6-28.4176.700000113.4V281 V285V281-G283 PolarHBondContact O-N 3.3Å; V281-G283 VanDerWaalsContact O-N 3.09Å; G283-V285 VanDerWaalsContact C-N 3.32Å; G283-V285 PolarHBondContact O-N 2.94Å
284D98.8Very high98.7Very high98 Ų9848.3 Ų48.352%0.52426%0.262SS..THydrogen-bonded Turntrans-77.5-20.5-175.6-56.4-46.7000112.6I280 V281 S282I280-D284 HydrophobicContact CB-CB 4.09Å; I280-D284 HydrophobicContact CG2-CB 4.33Å; V281-D284 WeakPolarHBondContact CG2-OD2 3.45Å; V281-D284 PolarHBondContact N-OD2 2.96Å; V281-D284 WeakPolarHBondContact O-CB 3.39Å; V281-D284 PolarHBondContact O-N 2.89Å; S282-D284 VanDerWaalsContact C-N 3.28Å; S282-D284 PolarHBondContact O-N 3.32Å
285V98.9Very high98.7Very high1 Ų148.1 Ų48.11%0.00626%0.26CS..THydrogen-bonded Turntrans-86.5-12.8178.3-57.20000113.6I280 S282 G283 G287 T288 I293 W315 D317I280-V285 HydrophobicContact CD1-CG1 3.71Å; S282-V285 VanDerWaalsContact O-CG2 3.28Å; S282-V285 WeakPolarHBondContact O-CG2 3.47Å; G283-V285 VanDerWaalsContact C-N 3.32Å; G283-V285 PolarHBondContact O-N 2.94Å; V285-G287 PolarHBondContact O-N 2.8Å; V285-T288 HydrophobicContact CB-CG2 4.44Å; V285-T288 VanDerWaalsContact O-CB 3.29Å; V285-T288 WeakPolarHBondContact O-CB 3.12Å; V285-T288 VanDerWaalsContact O-CG2 3.28Å; V285-T288 WeakPolarHBondContact O-CG2 3.48Å; V285-T288 PolarHBondContact O-N 2.58Å; V285-T288 PolarHBondContact O-OG1 3.3Å; V285-I293 HydrophobicContact CB-CD1 4.42Å; V285-I293 HydrophobicContact CG1-CD1 4.03Å; V285-W315 HydrophobicContact CG1-CB 3.68Å; V285-W315 HydrophobicContact CG1-CG 4.22Å; V285-D317 WeakPolarHBondContact O-CB 3.36Å
286I98.9Very high98.7Very high55 Ų5545.8 Ų45.828%0.28225%0.252SS..THydrogen-bonded Turntrans-64.4124.2-179-59.9175.5000109.5T51 D240 D317T51-I286 HydrophobicContact CG2-CG2 3.8Å; D240-I286 HydrophobicContact CB-CD1 4.1Å; D240-I286 HydrophobicContact CB-CG1 4.21Å; I286-D317 WeakPolarHBondContact CA-OD2 3.31Å
287G98.5Very high98.7Very high37 Ų3748.3 Ų48.338%0.38127%0.268SS..THydrogen-bonded Turntrans860.5-175.400000114.7V285 D317 Y320V285-G287 PolarHBondContact O-N 2.8Å; G287-D317 PolarHBondContact N-OD2 2.75Å; G287-Y320 WeakPolarHBondContact O-CD1 3.36Å
288T98.7Very high98.8Very high32 Ų3247.4 Ų47.420%0.19626%0.261CS..  trans-69.1151.5171.960.60000111.4V285 I293 Y320V285-T288 HydrophobicContact CB-CG2 4.44Å; V285-T288 VanDerWaalsContact O-CB 3.29Å; V285-T288 WeakPolarHBondContact O-CB 3.12Å; V285-T288 VanDerWaalsContact O-CG2 3.28Å; V285-T288 WeakPolarHBondContact O-CG2 3.48Å; V285-T288 PolarHBondContact O-N 2.58Å; V285-T288 PolarHBondContact O-OG1 3.3Å; T288-I293 HydrophobicContact CG2-CD1 4.06Å; T288-Y320 WeakPolarHBondContact O-CD1 3.39Å
289T98.7Very high98.8Very high37 Ų3739.6 Ų39.623%0.22723%0.233CC..  trans-99.6-9.4-171.967.10000113.5Y320 C324 R328T289-Y320 HydrophobicContact CG2-CE1 4.22Å; T289-C324 WeakPolarHBondContact O-CB 3.38Å; T289-R328 PolarHBondContact O-NH1 2.78Å; T289-R328 PolarHBondContact O-NH2 3.25Å
290Q98.7Very high98.8Very high53 Ų5336.7 Ų36.725%0.24822%0.22CC..  trans-75.8143178-64.981.6-4.300109.9S292 I293 G321Q290-S292 WeakPolarHBondContact CB-O 3.42Å; Q290-I293 HydrophobicContact CB-CG1 3.87Å; Q290-I293 HydrophobicContact CG-CG1 4.47Å; Q290-G321 VanDerWaalsContact O-CA 3.23Å; Q290-G321 WeakPolarHBondContact O-CA 3.5Å
291G98.8Very high98.8Very high1 Ų137.4 Ų37.41%0.0123%0.225CC..SBendtrans-73.4-20.6172.700000113N155 C156 S272 Y316N155-G291 CarbonylContact C-O 3.43Å; C156-G291 WeakPolarHBondContact CA-O 3.35Å; C156-G291 PolarHBondContact N-O 2.82Å; S272-G291 PolarHBondContact O-N 3.01Å; G291-Y316 WeakPolarHBondContact O-CB 3.46Å
292S98.9Very high98.8Very high0 Ų036.6 Ų36.60%022%0.22CC..EExtended strand (participates in β ladder)trans-154.6141.3-179-168.10000109.5C156 P159 S272 F273 G274 Q290 A314 W315C156-S292 WeakPolarHBondContact O-CB 3.36Å; C156-S292 PolarHBondContact O-OG 2.89Å; P159-S292 VanDerWaalsContact CG-CB 3.49Å; S272-S292 PolarHBondContact O-N 2.91Å; F273-S292 CarbonylContact C-O 3.48Å; F273-S292 VanDerWaalsContact CA-O 3.31Å; F273-S292 WeakPolarHBondContact CA-O 3.28Å; G274-S292 PolarHBondContact N-O 2.85Å; Q290-S292 WeakPolarHBondContact CB-O 3.42Å; S292-A314 VanDerWaalsContact OG-CB 3.32Å; S292-A314 WeakPolarHBondContact OG-CB 3.35Å; S292-W315 CarbonylContact C-O 3.51Å; S292-W315 WeakPolarHBondContact CA-O 3.19Å
293I98.9Very high98.8Very high9 Ų938 Ų385%0.04623%0.23CC..EExtended strand (participates in β ladder)trans-129.6108.2177.8-58.7170.5000107.7D276 V285 T288 Q290 D295 A314 W315D276-I293 HydrophobicContact CB-CG2 3.84Å; V285-I293 HydrophobicContact CB-CD1 4.42Å; V285-I293 HydrophobicContact CG1-CD1 4.03Å; T288-I293 HydrophobicContact CG2-CD1 4.06Å; Q290-I293 HydrophobicContact CB-CG1 3.87Å; Q290-I293 HydrophobicContact CG-CG1 4.47Å; I293-D295 PolarHBondContact O-N 2.8Å; I293-A314 CarbonylContact O-C 3.5Å; I293-A314 WeakPolarHBondContact O-CA 3.39Å; I293-W315 HydrophobicContact CB-CB 4.35Å; I293-W315 PolarHBondContact N-O 2.78Å; I293-W315 PolarHBondContact O-N 3.27Å
294F98.9Very high98.7Very high0 Ų039.2 Ų39.20%024%0.236CC..EExtended strand (participates in β ladder)trans-66.7131.7179.3-175.6-112.9000111.5I263 T267 F273 G274 Y275 D276 P296 T312 V313I263-F294 HydrophobicContact CB-CD1 4.26Å; I263-F294 HydrophobicContact CB-CE1 3.95Å; I263-F294 HydrophobicContact CB-CE2 4.28Å; I263-F294 HydrophobicContact CB-CZ 3.96Å; I263-F294 HydrophobicContact CG1-CE2 4.42Å; I263-F294 HydrophobicContact CG1-CZ 4.27Å; I263-F294 HydrophobicContact CG2-CB 4.26Å; I263-F294 HydrophobicContact CG2-CD1 3.71Å; I263-F294 HydrophobicContact CG2-CD2 3.68Å; I263-F294 HydrophobicContact CG2-CE1 3.88Å; I263-F294 HydrophobicContact CG2-CE2 3.85Å; I263-F294 HydrophobicContact CG2-CG 3.6Å; I263-F294 HydrophobicContact CG2-CZ 3.94Å; T267-F294 HydrophobicContact CG2-CB 4.27Å; F273-F294 HydrophobicContact CE2-CB 3.71Å; F273-F294 HydrophobicContact CZ-CB 3.68Å; F273-F294 HydrophobicContact CZ-CD2 4.37Å; F273-F294 HydrophobicContact CZ-CG 4.26Å; G274-F294 PolarHBondContact O-N 2.88Å; Y275-F294 WeakPolarHBondContact CA-O 3.45Å; Y275-F294 AromaticContact CD2-CD1 3.9Å; Y275-F294 HydrophobicContact CD2-CD1 3.9Å; Y275-F294 HydrophobicContact CE2-CD1 4.11Å; D276-F294 PolarHBondContact N-O 2.78Å; F294-P296 HydrophobicContact CD1-CB 4.43Å; F294-P296 HydrophobicContact CE1-CB 3.93Å; F294-T312 HydrophobicContact CE2-CG2 4.02Å; F294-T312 HydrophobicContact CZ-CG2 4.4Å; F294-V313 WeakPolarHBondContact CD2-O 3.42Å
295D98.9Very high98.5Very high2 Ų237.4 Ų37.41%0.01124%0.24CC..  trans-112.7100.8176.8-175.6-10.6000110.2I293 T297 Q298 V313 W315I293-D295 PolarHBondContact O-N 2.8Å; D295-T297 PolarHBondContact O-N 3.36Å; D295-T297 VanDerWaalsContact OD1-CB 3.28Å; D295-T297 WeakPolarHBondContact OD1-CB 3.37Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.34Å; D295-T297 PolarHBondContact OD1-N 2.82Å; D295-T297 PolarHBondContact OD1-OG1 2.72Å; D295-T297 PolarHBondContact OD2-OG1 2.52Å; D295-Q298 PolarHBondContact O-N 2.97Å; D295-Q298 PolarHBondContact OD2-NE2 3.22Å; D295-V313 PolarHBondContact N-O 3.08Å; D295-W315 PolarHBondContact OD2-NE1 3.41Å
296P98.8Very high98.4Very high12 Ų1244.8 Ų44.88%0.07828%0.28CS..G310 helixtrans-72.1-15.5-179.234.7-39.3000112.9N260 Y275 D276 D277 F294 Q298 T299N260-P296 HydrophobicContact CB-CB 4.14Å; N260-P296 PolarHBondContact ND2-O 2.88Å; N260-P296 VanDerWaalsContact ND2-O 3.12Å; N260-P296 WeakPolarHBondContact OD1-CA 3.5Å; N260-P296 WeakPolarHBondContact OD1-CB 3.45Å; Y275-P296 HydrophobicContact CE1-CG 4.42Å; Y275-P296 HydrophobicContact CE2-CB 4.06Å; Y275-P296 HydrophobicContact CE2-CG 3.66Å; D276-P296 VanDerWaalsContact O-CD 3.32Å; D276-P296 WeakPolarHBondContact O-CD 3.24Å; D277-P296 HydrophobicContact CB-CG 3.65Å; F294-P296 HydrophobicContact CD1-CB 4.43Å; F294-P296 HydrophobicContact CE1-CB 3.93Å; P296-Q298 PolarHBondContact O-N 2.93Å; P296-T299 PolarHBondContact O-N 3.22Å
297T98.8Very high98.4Very high69 Ų6951.3 Ų51.342%0.42330%0.302SS..G310 helixtrans-72-19.2-177.976.10000111.6E279 D295E279-T297 HydrophobicContact CG-CG2 4.16Å; D295-T297 PolarHBondContact O-N 3.36Å; D295-T297 VanDerWaalsContact OD1-CB 3.28Å; D295-T297 WeakPolarHBondContact OD1-CB 3.37Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.34Å; D295-T297 PolarHBondContact OD1-N 2.82Å; D295-T297 PolarHBondContact OD1-OG1 2.72Å; D295-T297 PolarHBondContact OD2-OG1 2.52Å
298Q98.9Very high98.4Very high65 Ų6550.6 Ų50.630%0.30429%0.289SS..G310 helixtrans-105.44.8179-62-171.37300113.8D295 P296 E300 V313D295-Q298 PolarHBondContact O-N 2.97Å; D295-Q298 PolarHBondContact OD2-NE2 3.22Å; P296-Q298 PolarHBondContact O-N 2.93Å; Q298-E300 PolarHBondContact O-N 2.83Å; Q298-V313 HydrophobicContact CB-CB 3.9Å; Q298-V313 HydrophobicContact CB-CG2 3.59Å
299T98.9Very high98.4Very high17 Ų1753.2 Ų53.210%0.10430%0.301CS..  trans-67.9126174.9-65.30000110.3A256 V259 N260 P296 K311A256-T299 HydrophobicContact CB-CG2 4.06Å; V259-T299 HydrophobicContact CB-CG2 4.12Å; V259-T299 HydrophobicContact CG1-CG2 4Å; N260-T299 WeakPolarHBondContact OD1-CB 3.4Å; N260-T299 PolarHBondContact OD1-OG1 3.02Å; P296-T299 PolarHBondContact O-N 3.22Å; T299-K311 WeakPolarHBondContact CA-O 3.14Å
300E98.9Very high98.4Very high100 Ų10051.5 Ų51.547%0.46729%0.291SS..EExtended strand (participates in β ladder)trans-127.3133.2179-171.2-168.292.400110.2Q298 T302 V310 K311Q298-E300 PolarHBondContact O-N 2.83Å; E300-T302 PolarHBondContact OE1-OG1 3.43Å; E300-V310 WeakPolarHBondContact O-CA 3.21Å; E300-K311 HydrophobicContact CB-CB 4.09Å; E300-K311 PolarHBondContact N-O 3.45Å; E300-K311 PolarHBondContact O-N 3.38Å
301V98.8Very high98.4Very high33 Ų3351.6 Ų51.620%0.229%0.29CS..EExtended strand (participates in β ladder)trans-120.4106.9171.5-179.20000109.3V254 A256 Q308 L309 V310V254-V301 HydrophobicContact CG2-CG2 4.35Å; A256-V301 HydrophobicContact CB-CG2 4.2Å; V301-Q308 VanDerWaalsContact CG1-CD 3.47Å; V301-Q308 HydrophobicContact CG1-CG 3.67Å; V301-Q308 VanDerWaalsContact CG1-NE2 3.35Å; V301-L309 WeakPolarHBondContact CA-O 3.48Å; V301-V310 HydrophobicContact CG1-CG2 4.42Å; V301-V310 HydrophobicContact CG2-CG1 4.33Å; V301-V310 HydrophobicContact CG2-CG2 4.25Å
302T98.8Very high98.4Very high69 Ų6951.6 Ų51.642%0.42329%0.29SS..EExtended strand (participates in β ladder)trans-100.7118.3179.2-69.80000109.2E300 Q308 L309E300-T302 PolarHBondContact OE1-OG1 3.43Å; T302-Q308 WeakPolarHBondContact O-CA 2.97Å; T302-L309 PolarHBondContact N-O 3.17Å; T302-L309 PolarHBondContact O-N 3.4Å
303S98.1Very high98.4Very high65 Ų6551.7 Ų51.746%0.45529%0.29SS..EExtended strand (participates in β ladder)trans-118.8133.3-177.1-58.30000111.8Y307 Q308S303-Y307 WeakPolarHBondContact CA-O 3.28Å; S303-Q308 PolarHBondContact OG-NE2 3.2Å
304A97.5Very high98.4Very high68 Ų6851.2 Ų51.256%0.56229%0.288SS*.EExtended strand (participates in β ladder)trans-137.493.217500000109.9D306 Y307A304-D306 PolarHBondContact O-N 3.08Å; A304-Y307 PolarHBondContact N-O 3.19Å; A304-Y307 PolarHBondContact O-N 3.16Å
305G95.2Very high98.4Very high60 Ų6052.3 Ų52.362%0.61929%0.292SS*.THydrogen-bonded Turntrans66.8-118.2-172.700000111.7K253K253-G305 PolarHBondContact NZ-O 2.89Å; K253-G305 VanDerWaalsContact NZ-O 3.12Å
306D96Very high98.4Very high157 Ų15752.3 Ų52.384%0.8429%0.292SS*.THydrogen-bonded Turntrans-87.2-13.7177-63-34.5000113A304A304-D306 PolarHBondContact O-N 3.08Å
307Y97.9Very high98.4Very high191 Ų19151.7 Ų51.775%0.74929%0.288SS*.EExtended strand (participates in β ladder)trans-82.6134.7176.8-57.8-77.2000110.6S303 A304S303-Y307 WeakPolarHBondContact CA-O 3.28Å; A304-Y307 PolarHBondContact N-O 3.19Å; A304-Y307 PolarHBondContact O-N 3.16Å
308Q98.5Very high98.4Very high23 Ų2348.9 Ų48.911%0.10727%0.271CS..EExtended strand (participates in β ladder)trans-136.9133.4173.7-172.3170.982.100110.1V254 V301 T302 S303 V310V254-Q308 PolarHBondContact O-NE2 3.4Å; V301-Q308 VanDerWaalsContact CG1-CD 3.47Å; V301-Q308 HydrophobicContact CG1-CG 3.67Å; V301-Q308 VanDerWaalsContact CG1-NE2 3.35Å; T302-Q308 WeakPolarHBondContact O-CA 2.97Å; S303-Q308 PolarHBondContact OG-NE2 3.2Å; Q308-V310 HydrophobicContact CG-CG2 4.27Å
309L98.9Very high98.4Very high86 Ų8646.8 Ų46.845%0.4526%0.261SS..EExtended strand (participates in β ladder)trans-113.1133.8169.5-68.3174.1000108.5V247 V249 V301 T302V247-L309 HydrophobicContact CG1-CD2 4.32Å; V249-L309 HydrophobicContact CG2-CD2 3.95Å; V301-L309 WeakPolarHBondContact CA-O 3.48Å; T302-L309 PolarHBondContact N-O 3.17Å; T302-L309 PolarHBondContact O-N 3.4Å
310V98.9Very high98.4Very high1 Ų147.3 Ų47.31%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-117.9117.8177.8-178.80000108.7V247 S248 L250 V254 V259 E300 V301 Q308 T312V247-V310 CarbonylContact C-O 3.49Å; V247-V310 WeakPolarHBondContact CA-O 3.24Å; S248-V310 PolarHBondContact N-O 3.28Å; S248-V310 PolarHBondContact O-N 3.48Å; S248-V310 PolarHBondContact OG-O 3.07Å; L250-V310 HydrophobicContact CD1-CB 3.97Å; L250-V310 HydrophobicContact CD1-CG1 4.1Å; L250-V310 HydrophobicContact CD1-CG2 3.66Å; L250-V310 HydrophobicContact CG-CB 4.26Å; L250-V310 HydrophobicContact CG-CG2 4.02Å; V254-V310 HydrophobicContact CG2-CG2 3.67Å; V259-V310 HydrophobicContact CG1-CG1 4.45Å; V259-V310 HydrophobicContact CG2-CG1 4.04Å; E300-V310 WeakPolarHBondContact O-CA 3.21Å; V301-V310 HydrophobicContact CG1-CG2 4.42Å; V301-V310 HydrophobicContact CG2-CG1 4.33Å; V301-V310 HydrophobicContact CG2-CG2 4.25Å; Q308-V310 HydrophobicContact CG-CG2 4.27Å; V310-T312 HydrophobicContact CG1-CG2 4.37Å
311K98.9Very high98.4Very high56 Ų5642.5 Ų42.524%0.24324%0.239CC..EExtended strand (participates in β ladder)trans-99.8128.9170.3-173.4-174.1-66.1-154.50109.2E245 L246 V247 T299 E300E245-K311 WeakPolarHBondContact OE2-CE 3.5Å; E245-K311 IonicContact OE2-NZ 3.42Å; E245-K311 PolarHBondContact OE2-NZ 3.22Å; L246-K311 VanDerWaalsContact O-CA 3.31Å; L246-K311 WeakPolarHBondContact O-CA 3.31Å; V247-K311 HydrophobicContact CG2-CB 4.26Å; V247-K311 HydrophobicContact CG2-CG 4.08Å; T299-K311 WeakPolarHBondContact CA-O 3.14Å; E300-K311 HydrophobicContact CB-CB 4.09Å; E300-K311 PolarHBondContact N-O 3.45Å; E300-K311 PolarHBondContact O-N 3.38Å
312T98.9Very high98.4Very high1 Ų141.4 Ų41.41%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-126.3151.2170.245.10000109.6L164 E245 L246 V259 F294 V310L164-T312 HydrophobicContact CD1-CG2 4.39Å; E245-T312 WeakPolarHBondContact CA-O 3.25Å; L246-T312 PolarHBondContact N-O 2.87Å; L246-T312 PolarHBondContact O-N 3.4Å; V259-T312 HydrophobicContact CG1-CG2 3.63Å; F294-T312 HydrophobicContact CE2-CG2 4.02Å; F294-T312 HydrophobicContact CZ-CG2 4.4Å; V310-T312 HydrophobicContact CG1-CG2 4.37Å
313V98.9Very high98.4Very high1 Ų138.1 Ų38.11%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-131.3140.3-176.8-1740000110.3L243 T244 E245 F294 D295 Q298L243-V313 HydrophobicContact CB-CG1 4.28Å; L243-V313 HydrophobicContact CD1-CG1 4.09Å; T244-V313 WeakPolarHBondContact O-CA 3.42Å; E245-V313 HydrophobicContact CG-CG2 4.03Å; F294-V313 WeakPolarHBondContact CD2-O 3.42Å; D295-V313 PolarHBondContact N-O 3.08Å; Q298-V313 HydrophobicContact CB-CB 3.9Å; Q298-V313 HydrophobicContact CB-CG2 3.59Å
314A99Very high98.4Very high0 Ų035.1 Ų35.10%019%0.19CC..EExtended strand (participates in β ladder)trans-133.3136.516800000111.3M160 L243 T244 S292 I293M160-A314 HydrophobicContact CE-CB 4.38Å; M160-A314 HydrophobicContact SD-CB 3.84Å; L243-A314 CarbonylContact C-O 3.54Å; L243-A314 VanDerWaalsContact CA-O 3.27Å; L243-A314 WeakPolarHBondContact CA-O 3.49Å; T244-A314 PolarHBondContact N-O 3.5Å; T244-A314 PolarHBondContact O-N 3.39Å; T244-A314 VanDerWaalsContact O-N 3.09Å; S292-A314 VanDerWaalsContact OG-CB 3.32Å; S292-A314 WeakPolarHBondContact OG-CB 3.35Å; I293-A314 CarbonylContact O-C 3.5Å; I293-A314 WeakPolarHBondContact O-CA 3.39Å
315W99Very high98.5Very high23 Ų2332 Ų329%0.08716%0.164CC..EExtended strand (participates in β ladder)trans-85.6162.2170.9-59.194.2000111.4S242 L243 I280 V285 S292 I293 D295S242-W315 CarbonylContact O-C 3.56Å; S242-W315 WeakPolarHBondContact O-CA 3.24Å; L243-W315 HydrophobicContact CB-CD2 3.99Å; L243-W315 HydrophobicContact CB-CE3 3.65Å; L243-W315 HydrophobicContact CB-CZ3 3.95Å; L243-W315 HydrophobicContact CD2-CE3 4.04Å; L243-W315 HydrophobicContact CD2-CH2 3.43Å; L243-W315 VanDerWaalsContact CD2-CH2 3.43Å; L243-W315 HydrophobicContact CD2-CZ2 4.03Å; L243-W315 HydrophobicContact CD2-CZ3 3.43Å; L243-W315 VanDerWaalsContact CD2-CZ3 3.43Å; L243-W315 HydrophobicContact CG-CE3 4.44Å; L243-W315 HydrophobicContact CG-CZ3 4.24Å; I280-W315 HydrophobicContact CD1-CG 4.19Å; V285-W315 HydrophobicContact CG1-CB 3.68Å; V285-W315 HydrophobicContact CG1-CG 4.22Å; S292-W315 CarbonylContact C-O 3.51Å; S292-W315 WeakPolarHBondContact CA-O 3.19Å; I293-W315 HydrophobicContact CB-CB 4.35Å; I293-W315 PolarHBondContact N-O 2.78Å; I293-W315 PolarHBondContact O-N 3.27Å; D295-W315 PolarHBondContact OD2-NE1 3.41Å
316Y98.9Very high98.6Very high1 Ų129.2 Ų29.20%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-163.5143.3172.561.2-66.9000110.9C152 T153 C156 T177 H179 S242 T244 G291 N318C152-Y316 HydrophobicContact CB-CE2 4.17Å; T153-Y316 PolarHBondContact OG1-OH 3.4Å; C156-Y316 HydrophobicContact CB-CD1 3.5Å; C156-Y316 HydrophobicContact CB-CD2 3.91Å; C156-Y316 HydrophobicContact CB-CE1 3.81Å; C156-Y316 HydrophobicContact CB-CE2 4.18Å; C156-Y316 HydrophobicContact CB-CG 3.56Å; C156-Y316 WeakPolarHBondContact SG-CD1 3.46Å; T177-Y316 PolarHBondContact OG1-OH 2.81Å; H179-Y316 PolarHBondContact CD2-OH 3.49Å; S242-Y316 PolarHBondContact N-O 2.99Å; S242-Y316 WeakPolarHBondContact O-CD1 3.46Å; S242-Y316 PolarHBondContact O-N 3.07Å; T244-Y316 WeakPolarHBondContact OG1-CE1 2.85Å; G291-Y316 WeakPolarHBondContact O-CB 3.46Å; Y316-N318 HydrophobicContact CD2-CB 3.84Å; Y316-N318 HydrophobicContact CE2-CB 3.59Å; Y316-N318 PolarHBondContact O-N 2.9Å
317D98.9Very high98.6Very high0 Ų021.9 Ų21.90%010%0.095CC..  trans-74.6109.9156.5-173.9-37000108.1H52 D240 V285 I286 G287 E319 Y320 G321 F322H52-D317 IonicContact CE1-OD2 2.99Å; H52-D317 PolarHBondContact CE1-OD2 3.32Å; D240-D317 VanDerWaalsContact OD2-OD1 3.12Å; V285-D317 WeakPolarHBondContact O-CB 3.36Å; I286-D317 WeakPolarHBondContact CA-OD2 3.31Å; G287-D317 PolarHBondContact N-OD2 2.75Å; D317-E319 PolarHBondContact O-N 3.33Å; D317-E319 WeakPolarHBondContact OD1-CA 3.25Å; D317-E319 PolarHBondContact OD1-N 3.45Å; D317-Y320 PolarHBondContact OD1-N 3.37Å; D317-Y320 VanDerWaalsContact OD2-CB 3.24Å; D317-Y320 WeakPolarHBondContact OD2-CB 3.33Å; D317-G321 WeakPolarHBondContact O-CA 3.44Å; D317-G321 PolarHBondContact O-N 3.18Å; D317-G321 VanDerWaalsContact O-N 3.14Å; D317-F322 PolarHBondContact O-N 2.87Å
318N98.8Very high98.6Very high9 Ų914 Ų145%0.0486%0.064CC..THydrogen-bonded Turntrans-70-10.8-177.149.1-101.7000113.2C152 D240 G241 S242 Y316C152-N318 HydrophobicContact CB-CB 4.07Å; C152-N318 VanDerWaalsContact CB-O 3.26Å; C152-N318 WeakPolarHBondContact CB-O 3.47Å; D240-N318 PolarHBondContact OD1-ND2 2.87Å; D240-N318 PolarHBondContact OD1-OD1 2.83Å; D240-N318 VanDerWaalsContact OD1-OD1 3.04Å; G241-N318 PolarHBondContact N-OD1 3.09Å; S242-N318 WeakPolarHBondContact CB-OD1 3.46Å; S242-N318 PolarHBondContact OG-OD1 2.9Å; Y316-N318 HydrophobicContact CD2-CB 3.84Å; Y316-N318 HydrophobicContact CE2-CB 3.59Å; Y316-N318 PolarHBondContact O-N 2.9Å
319E98.8Very high98.5Very high21 Ų2113 Ų1310%0.0986%0.059CC..THydrogen-bonded Turntrans-104.5-62.6174.1-55.4-165.3151.400111.7R12 I13 L16 H52 D317 T323R12-E319 WeakPolarHBondContact CD-OE1 3.23Å; R12-E319 IonicContact CZ-OE1 3.12Å; R12-E319 IonicContact CZ-OE2 3.43Å; R12-E319 IonicContact NE-OE1 2.8Å; R12-E319 PolarHBondContact NE-OE1 2.72Å; R12-E319 IonicContact NE-OE2 2.78Å; R12-E319 PolarHBondContact NE-OE2 2.99Å; R12-E319 IonicContact NH2-OE1 2.91Å; R12-E319 IonicContact NH2-OE2 3.32Å; R12-E319 PolarHBondContact NH2-OE2 3.05Å; I13-E319 HydrophobicContact CD1-CB 4.38Å; L16-E319 HydrophobicContact CD1-CB 3.59Å; H52-E319 IonicContact CD2-OE2 3.66Å; H52-E319 IonicContact NE2-OE2 3.54Å; H52-E319 PolarHBondContact NE2-OE2 3.34Å; D317-E319 PolarHBondContact O-N 3.33Å; D317-E319 WeakPolarHBondContact OD1-CA 3.25Å; D317-E319 PolarHBondContact OD1-N 3.45Å; E319-T323 VanDerWaalsContact O-CB 3.27Å; E319-T323 WeakPolarHBondContact O-CB 3.26Å; E319-T323 PolarHBondContact O-N 2.89Å; E319-T323 PolarHBondContact O-OG1 2.84Å
320Y98.8Very high98.3Very high28 Ų288.9 Ų8.911%0.114%0.038CC..Hα-helixtrans-78.3-41-171-156-114000113L16 E23 G287 T288 T289 D317 F322 T323 C324L16-Y320 HydrophobicContact CB-CD2 4.23Å; L16-Y320 HydrophobicContact CD1-CD2 4.31Å; L16-Y320 HydrophobicContact CD2-CD2 4Å; L16-Y320 HydrophobicContact CD2-CE2 4.38Å; L16-Y320 HydrophobicContact CG-CD2 4.39Å; E23-Y320 PolarHBondContact OE2-OH 2.84Å; G287-Y320 WeakPolarHBondContact O-CD1 3.36Å; T288-Y320 WeakPolarHBondContact O-CD1 3.39Å; T289-Y320 HydrophobicContact CG2-CE1 4.22Å; D317-Y320 PolarHBondContact OD1-N 3.37Å; D317-Y320 VanDerWaalsContact OD2-CB 3.24Å; D317-Y320 WeakPolarHBondContact OD2-CB 3.33Å; Y320-F322 PolarHBondContact O-N 2.85Å; Y320-T323 WeakPolarHBondContact O-CB 3.32Å; Y320-T323 PolarHBondContact O-N 2.7Å; Y320-C324 WeakPolarHBondContact O-CB 3.48Å; Y320-C324 PolarHBondContact O-N 2.88Å; Y320-C324 PolarHBondContact O-SG 2.94Å
321G98.8Very high98.1Very high0 Ų011 Ų110%05%0.048CC..Hα-helixtrans-61.5-45.8174.500000111.3Q290 D317 C324 Q325Q290-G321 VanDerWaalsContact O-CA 3.23Å; Q290-G321 WeakPolarHBondContact O-CA 3.5Å; D317-G321 WeakPolarHBondContact O-CA 3.44Å; D317-G321 PolarHBondContact O-N 3.18Å; D317-G321 VanDerWaalsContact O-N 3.14Å; G321-C324 PolarHBondContact O-N 3.32Å; G321-Q325 WeakPolarHBondContact O-CG 3.49Å; G321-Q325 PolarHBondContact O-N 3.39Å
322F98.8Very high97.9Very high10 Ų1011.1 Ų11.14%0.0445%0.049CC..Hα-helixtrans-60.7-44.6172.5176.8-122.6000112.3I13 A149 C152 N155 D317 Y320 C324 Q325 M326I13-F322 HydrophobicContact CD1-CD1 4.13Å; A149-F322 HydrophobicContact CB-CE2 4.14Å; A149-F322 HydrophobicContact CB-CZ 4.26Å; C152-F322 HydrophobicContact CB-CB 3.97Å; C152-F322 HydrophobicContact CB-CD1 4.5Å; C152-F322 HydrophobicContact CB-CG 4.09Å; N155-F322 HydrophobicContact CB-CD2 4.39Å; N155-F322 WeakPolarHBondContact ND2-CD2 3.34Å; N155-F322 WeakPolarHBondContact ND2-CE2 3.28Å; D317-F322 PolarHBondContact O-N 2.87Å; Y320-F322 PolarHBondContact O-N 2.85Å; F322-C324 PolarHBondContact O-N 3.22Å; F322-Q325 WeakPolarHBondContact O-CB 3.36Å; F322-Q325 PolarHBondContact O-N 2.89Å; F322-M326 HydrophobicContact CD1-CE 4.45Å; F322-M326 HydrophobicContact CD1-SD 4.5Å; F322-M326 HydrophobicContact CD2-CG 4.43Å; F322-M326 HydrophobicContact CE1-CE 4.08Å; F322-M326 HydrophobicContact CE1-CG 4.39Å; F322-M326 HydrophobicContact CE1-SD 3.75Å; F322-M326 HydrophobicContact CE2-CG 4.01Å; F322-M326 HydrophobicContact CE2-SD 4.23Å; F322-M326 HydrophobicContact CZ-CG 3.99Å; F322-M326 HydrophobicContact CZ-SD 3.59Å; F322-M326 VanDerWaalsContact CZ-SD 3.59Å; F322-M326 WeakPolarHBondContact O-CG 3.36Å; F322-M326 PolarHBondContact O-N 3.41Å
323T98.7Very high97.6Very high0 Ų011.1 Ų11.10%05%0.048CC..Hα-helixtrans-59.7-45.8176.8-63.70000111.5L16 A17 R20 E319 Y320 Q325 M326 I327L16-T323 VanDerWaalsContact C-CG2 3.49Å; L16-T323 HydrophobicContact CB-CG2 3.9Å; A17-T323 VanDerWaalsContact CA-CG2 3.45Å; A17-T323 HydrophobicContact CB-CG2 4Å; A17-T323 VanDerWaalsContact N-CG2 3.31Å; R20-T323 HydrophobicContact CB-CG2 4.42Å; E319-T323 VanDerWaalsContact O-CB 3.27Å; E319-T323 WeakPolarHBondContact O-CB 3.26Å; E319-T323 PolarHBondContact O-N 2.89Å; E319-T323 PolarHBondContact O-OG1 2.84Å; Y320-T323 WeakPolarHBondContact O-CB 3.32Å; Y320-T323 PolarHBondContact O-N 2.7Å; T323-Q325 VanDerWaalsContact C-N 3.32Å; T323-Q325 PolarHBondContact O-N 3.11Å; T323-M326 WeakPolarHBondContact O-CB 3.27Å; T323-M326 PolarHBondContact O-N 3.32Å; T323-M326 VanDerWaalsContact O-N 3.09Å; T323-I327 HydrophobicContact CG2-CG1 4.46Å; T323-I327 WeakPolarHBondContact O-CG1 3.31Å; T323-I327 PolarHBondContact O-N 3.23Å
324C98.5Very high97.1Very high1 Ų112 Ų121%0.0076%0.056CC..Hα-helixtrans-61.3-40.3178.2-69.10000111.9T289 Y320 G321 F322 M326 I327 R328T289-C324 WeakPolarHBondContact O-CB 3.38Å; Y320-C324 WeakPolarHBondContact O-CB 3.48Å; Y320-C324 PolarHBondContact O-N 2.88Å; Y320-C324 PolarHBondContact O-SG 2.94Å; G321-C324 PolarHBondContact O-N 3.32Å; F322-C324 PolarHBondContact O-N 3.22Å; C324-M326 VanDerWaalsContact C-N 3.32Å; C324-M326 PolarHBondContact O-N 3.26Å; C324-I327 PolarHBondContact O-N 3.01Å; C324-R328 WeakPolarHBondContact O-CG 3.5Å; C324-R328 PolarHBondContact O-N 3.33Å
325Q98.6Very high96.5Very high3 Ų317.7 Ų17.71%0.0149%0.087CC..Hα-helixtrans-59.7-42.5172.5-70.3-65.595.100112.1Y133 N155 S272 G321 F322 T323 R328 L329Y133-Q325 PolarHBondContact O-NE2 3.43Å; Y133-Q325 VanDerWaalsContact O-NE2 3.09Å; N155-Q325 HydrophobicContact CB-CG 4.35Å; N155-Q325 WeakPolarHBondContact OD1-CB 3.28Å; S272-Q325 PolarHBondContact OG-NE2 2.99Å; S272-Q325 PolarHBondContact OG-OE1 2.91Å; G321-Q325 WeakPolarHBondContact O-CG 3.49Å; G321-Q325 PolarHBondContact O-N 3.39Å; F322-Q325 WeakPolarHBondContact O-CB 3.36Å; F322-Q325 PolarHBondContact O-N 2.89Å; T323-Q325 VanDerWaalsContact C-N 3.32Å; T323-Q325 PolarHBondContact O-N 3.11Å; Q325-R328 PolarHBondContact O-N 2.68Å; Q325-L329 WeakPolarHBondContact O-CB 3.49Å; Q325-L329 PolarHBondContact O-N 3.38Å
326M97.7Very high96Very high1 Ų120.9 Ų20.91%0.00511%0.105CC..Hα-helixtrans-65.2-37.5176-67.1-162.1-55.300112.6I13 L96 S122 A149 F322 T323 C324 L329 L330I13-M326 HydrophobicContact CG2-CE 3.19Å; L96-M326 HydrophobicContact CD1-CB 4.42Å; L96-M326 HydrophobicContact CD1-CE 4.2Å; L96-M326 HydrophobicContact CD1-SD 4.01Å; L96-M326 HydrophobicContact CD2-CE 4.16Å; S122-M326 WeakPolarHBondContact CB-SD 3.46Å; A149-M326 HydrophobicContact CB-CG 3.73Å; A149-M326 HydrophobicContact CB-SD 4.03Å; F322-M326 HydrophobicContact CD1-CE 4.45Å; F322-M326 HydrophobicContact CD1-SD 4.5Å; F322-M326 HydrophobicContact CD2-CG 4.43Å; F322-M326 HydrophobicContact CE1-CE 4.08Å; F322-M326 HydrophobicContact CE1-CG 4.39Å; F322-M326 HydrophobicContact CE1-SD 3.75Å; F322-M326 HydrophobicContact CE2-CG 4.01Å; F322-M326 HydrophobicContact CE2-SD 4.23Å; F322-M326 HydrophobicContact CZ-CG 3.99Å; F322-M326 HydrophobicContact CZ-SD 3.59Å; F322-M326 VanDerWaalsContact CZ-SD 3.59Å; F322-M326 WeakPolarHBondContact O-CG 3.36Å; F322-M326 PolarHBondContact O-N 3.41Å; T323-M326 WeakPolarHBondContact O-CB 3.27Å; T323-M326 PolarHBondContact O-N 3.32Å; T323-M326 VanDerWaalsContact O-N 3.09Å; C324-M326 VanDerWaalsContact C-N 3.32Å; C324-M326 PolarHBondContact O-N 3.26Å; M326-L329 WeakPolarHBondContact O-CB 3.15Å; M326-L329 PolarHBondContact O-N 3.01Å; M326-L330 VanDerWaalsContact O-CB 3.27Å; M326-L330 WeakPolarHBondContact O-CB 3.09Å; M326-L330 PolarHBondContact O-N 3.26Å
327I97.4Very high95.9Very high3 Ų321.9 Ų21.92%0.01511%0.11CC..Hα-helixtrans-67-44.2177.5-60.9-41.8000110.8A17 R20 I21 I28 T323 C324 L329 L330 E331A17-I327 HydrophobicContact CB-CD1 4.03Å; R20-I327 HydrophobicContact CB-CG1 4.06Å; R20-I327 HydrophobicContact CG-CB 4.22Å; R20-I327 HydrophobicContact CG-CG1 3.77Å; R20-I327 HydrophobicContact CG-CG2 4.37Å; I21-I327 HydrophobicContact CD1-CD1 3.8Å; I21-I327 HydrophobicContact CG1-CD1 3.63Å; I21-I327 HydrophobicContact CG1-CG1 4.18Å; I21-I327 HydrophobicContact CG1-CG2 4.22Å; I28-I327 HydrophobicContact CD1-CG2 4.14Å; T323-I327 HydrophobicContact CG2-CG1 4.46Å; T323-I327 WeakPolarHBondContact O-CG1 3.31Å; T323-I327 PolarHBondContact O-N 3.23Å; C324-I327 PolarHBondContact O-N 3.01Å; I327-L329 VanDerWaalsContact C-N 3.29Å; I327-L329 PolarHBondContact O-N 3.2Å; I327-L330 HydrophobicContact CD1-CD2 4.42Å; I327-L330 WeakPolarHBondContact O-CB 3.34Å; I327-L330 PolarHBondContact O-N 2.95Å; I327-L330 VanDerWaalsContact O-N 3.08Å; I327-E331 HydrophobicContact CG2-CG 4.49Å; I327-E331 WeakPolarHBondContact O-CG 3.33Å; I327-E331 PolarHBondContact O-N 2.93Å
328R96.7Very high95.7Very high25 Ų2523 Ų239%0.09412%0.115CC..Hα-helixtrans-57.4-44173.2-67.1175.9-172.81085.8111.8Y133 P271 T289 C324 Q325 E331 K332Y133-R328 HydrophobicContact CD1-CB 3.77Å; Y133-R328 HydrophobicContact CD1-CG 4.38Å; Y133-R328 HydrophobicContact CD2-CB 3.7Å; Y133-R328 HydrophobicContact CE1-CB 3.88Å; Y133-R328 HydrophobicContact CE1-CG 4.36Å; Y133-R328 HydrophobicContact CE2-CB 3.78Å; Y133-R328 WeakPolarHBondContact CE2-O 3.44Å; Y133-R328 HydrophobicContact CG-CB 3.68Å; P271-R328 PolarHBondContact O-NH1 3.13Å; P271-R328 PolarHBondContact O-NH2 3.2Å; T289-R328 PolarHBondContact O-NH1 2.78Å; T289-R328 PolarHBondContact O-NH2 3.25Å; C324-R328 WeakPolarHBondContact O-CG 3.5Å; C324-R328 PolarHBondContact O-N 3.33Å; Q325-R328 PolarHBondContact O-N 2.68Å; R328-E331 PolarHBondContact O-N 3.44Å; R328-K332 PolarHBondContact O-N 3.19Å
329L96.4Very high95.6Very high2 Ų223.8 Ų23.81%0.0112%0.119CC..Hα-helixtrans-61.4-43.7174.7176.758.7000111.7V120 I131 Y133 L140 I147 A149 Q325 M326 I327 K332 F333V120-L329 HydrophobicContact CG1-CD2 3.97Å; I131-L329 HydrophobicContact CB-CD1 3.93Å; I131-L329 HydrophobicContact CB-CD2 4.08Å; I131-L329 HydrophobicContact CG1-CD1 4.45Å; I131-L329 HydrophobicContact CG2-CD1 3.51Å; I131-L329 HydrophobicContact CG2-CD2 4.33Å; Y133-L329 HydrophobicContact CD2-CB 4.44Å; L140-L329 HydrophobicContact CD1-CD1 3.69Å; I147-L329 HydrophobicContact CD1-CD1 3.84Å; I147-L329 HydrophobicContact CD1-CD2 3.97Å; I147-L329 HydrophobicContact CD1-CG 4.03Å; A149-L329 HydrophobicContact CB-CD2 4.12Å; Q325-L329 WeakPolarHBondContact O-CB 3.49Å; Q325-L329 PolarHBondContact O-N 3.38Å; M326-L329 WeakPolarHBondContact O-CB 3.15Å; M326-L329 PolarHBondContact O-N 3.01Å; I327-L329 VanDerWaalsContact C-N 3.29Å; I327-L329 PolarHBondContact O-N 3.2Å; L329-K332 PolarHBondContact O-N 3.02Å; L329-F333 WeakPolarHBondContact O-CB 3.47Å; L329-F333 PolarHBondContact O-N 2.98Å
330L95.2Very high95.4Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-61.6-45.9179-163.472.4000111V5 I21 I28 I94 V120 M326 I327 F333 A334V5-L330 HydrophobicContact CB-CD2 4.46Å; V5-L330 HydrophobicContact CG1-CD2 3.84Å; V5-L330 HydrophobicContact CG2-CD2 3.71Å; I21-L330 HydrophobicContact CD1-CD2 4.18Å; I28-L330 HydrophobicContact CD1-CB 4.47Å; I28-L330 HydrophobicContact CD1-CD2 3.84Å; I28-L330 HydrophobicContact CD1-CG 4.32Å; I94-L330 HydrophobicContact CD1-CD1 3.41Å; I94-L330 VanDerWaalsContact CD1-CD1 3.41Å; I94-L330 HydrophobicContact CD1-CG 4.23Å; I94-L330 HydrophobicContact CG1-CD1 3.68Å; I94-L330 HydrophobicContact CG2-CD1 4.05Å; I94-L330 HydrophobicContact CG2-CG 4.4Å; V120-L330 HydrophobicContact CB-CD1 4.38Å; V120-L330 HydrophobicContact CG2-CD1 3.8Å; M326-L330 VanDerWaalsContact O-CB 3.27Å; M326-L330 WeakPolarHBondContact O-CB 3.09Å; M326-L330 PolarHBondContact O-N 3.26Å; I327-L330 HydrophobicContact CD1-CD2 4.42Å; I327-L330 WeakPolarHBondContact O-CB 3.34Å; I327-L330 PolarHBondContact O-N 2.95Å; I327-L330 VanDerWaalsContact O-N 3.08Å; L330-F333 PolarHBondContact O-N 2.64Å; L330-A334 WeakPolarHBondContact O-CB 3.43Å; L330-A334 PolarHBondContact O-N 3.25Å
331E93.8Very high95.1Very high47 Ų4723.7 Ų23.722%0.2212%0.121CC..Hα-helixtrans-61.3-45.3176.5-70.3176.1153.300111.9S25 I28 I327 R328 N335S25-E331 WeakPolarHBondContact CB-OE1 3.5Å; S25-E331 PolarHBondContact OG-OE1 2.88Å; I28-E331 HydrophobicContact CD1-CG 3.69Å; I28-E331 HydrophobicContact CG2-CG 4.12Å; I327-E331 HydrophobicContact CG2-CG 4.49Å; I327-E331 WeakPolarHBondContact O-CG 3.33Å; I327-E331 PolarHBondContact O-N 2.93Å; R328-E331 PolarHBondContact O-N 3.44Å; E331-N335 PolarHBondContact O-N 2.84Å; E331-N335 PolarHBondContact O-ND2 3.37Å
332K94.4Very high94.9Very high58 Ų5825.3 Ų25.325%0.25213%0.129SC..Hα-helixtrans-64.9-45.7176175.5163.2178.1167.90111.5Y133 D137 R328 L329 A334 N335Y133-K332 HydrophobicContact CE2-CB 3.83Å; Y133-K332 HydrophobicContact CE2-CD 3.95Å; D137-K332 HydrophobicContact CB-CD 4.1Å; D137-K332 WeakPolarHBondContact O-CE 3.25Å; D137-K332 PolarHBondContact O-NZ 2.73Å; D137-K332 VanDerWaalsContact OD2-CD 3.25Å; D137-K332 WeakPolarHBondContact OD2-CD 3.43Å; D137-K332 WeakPolarHBondContact OD2-CE 3.38Å; D137-K332 IonicContact OD2-NZ 3Å; D137-K332 PolarHBondContact OD2-NZ 3.36Å; R328-K332 PolarHBondContact O-N 3.19Å; L329-K332 PolarHBondContact O-N 3.02Å; K332-A334 VanDerWaalsContact C-N 3.27Å; K332-A334 PolarHBondContact O-N 2.99Å; K332-N335 PolarHBondContact O-N 2.81Å; K332-N335 VanDerWaalsContact O-N 3.09Å
333F93.7Very high94.6Very high0 Ų026.4 Ų26.40%014%0.135CC..Hα-helixtrans-67.7-30-177.3-165.1-153.5000112.6I94 R118 V120 L140 D144 I147 L329 L330 N335 L336I94-F333 HydrophobicContact CD1-CB 4.34Å; I94-F333 HydrophobicContact CD1-CD1 3.75Å; I94-F333 HydrophobicContact CD1-CG 4.32Å; R118-F333 HydrophobicContact CB-CD1 4.1Å; R118-F333 HydrophobicContact CB-CE1 3.65Å; R118-F333 HydrophobicContact CB-CZ 3.97Å; R118-F333 VanDerWaalsContact CD-O 3.32Å; R118-F333 WeakPolarHBondContact CD-O 3.39Å; R118-F333 HydrophobicContact CG-CE1 4.1Å; R118-F333 HydrophobicContact CG-CE2 4.26Å; R118-F333 HydrophobicContact CG-CZ 3.93Å; R118-F333 PolarHBondContact NE-O 2.72Å; R118-F333 VanDerWaalsContact NH1-CE2 3.28Å; V120-F333 HydrophobicContact CG2-CD1 3.68Å; V120-F333 HydrophobicContact CG2-CE1 4.2Å; L140-F333 HydrophobicContact CD2-CD2 4.4Å; L140-F333 HydrophobicContact CD2-CE2 4.39Å; D144-F333 HydrophobicContact CB-CE2 3.73Å; D144-F333 HydrophobicContact CB-CZ 4.01Å; D144-F333 WeakPolarHBondContact O-CE2 3.28Å; D144-F333 WeakPolarHBondContact O-CZ 3.27Å; I147-F333 HydrophobicContact CD1-CD1 3.58Å; I147-F333 HydrophobicContact CD1-CD2 4.41Å; I147-F333 HydrophobicContact CD1-CE1 3.66Å; I147-F333 HydrophobicContact CD1-CE2 4.48Å; I147-F333 HydrophobicContact CD1-CG 3.99Å; I147-F333 HydrophobicContact CD1-CZ 4.12Å; I147-F333 HydrophobicContact CG1-CD1 4.06Å; I147-F333 HydrophobicContact CG1-CE1 3.7Å; I147-F333 HydrophobicContact CG1-CZ 4.23Å; I147-F333 HydrophobicContact CG2-CE1 4.33Å; I147-F333 HydrophobicContact CG2-CZ 4Å; L329-F333 WeakPolarHBondContact O-CB 3.47Å; L329-F333 PolarHBondContact O-N 2.98Å; L330-F333 PolarHBondContact O-N 2.64Å; F333-N335 VanDerWaalsContact C-N 3.26Å; F333-N335 PolarHBondContact O-N 3.07Å; F333-L336 HydrophobicContact CD2-CD1 3.95Å
334A87.8Confident94.3Very high21 Ų2128.4 Ų28.417%0.17415%0.146CC..Hα-helixtrans-65.5-25.2172.600000113.7V3 I28 L330 K332V3-A334 HydrophobicContact CB-CB 3.94Å; V3-A334 HydrophobicContact CG1-CB 3.78Å; V3-A334 HydrophobicContact CG2-CB 3.71Å; I28-A334 HydrophobicContact CG2-CB 4.45Å; L330-A334 WeakPolarHBondContact O-CB 3.43Å; L330-A334 PolarHBondContact O-N 3.25Å; K332-A334 VanDerWaalsContact C-N 3.27Å; K332-A334 PolarHBondContact O-N 2.99Å
335N86.6Confident94Very high119 Ų11930.7 Ų30.764%0.63616%0.157SC*.THydrogen-bonded Turntrans-99.35.3-176-75.1-56.7000114.5E331 K332 F333E331-N335 PolarHBondContact O-N 2.84Å; E331-N335 PolarHBondContact O-ND2 3.37Å; K332-N335 PolarHBondContact O-N 2.81Å; K332-N335 VanDerWaalsContact O-N 3.09Å; F333-N335 VanDerWaalsContact C-N 3.26Å; F333-N335 PolarHBondContact O-N 3.07Å
336L89.4Confident93.5Very high89 Ų8933.2 Ų33.247%0.46617%0.17SC..  trans-87.90172.6-61.7179.8000112.3R118 L140 F333R118-L336 VanDerWaalsContact NH2-C 3.32Å; R118-L336 PolarHBondContact NH2-OXT 3.47Å; L140-L336 HydrophobicContact CB-CD1 3.6Å; L140-L336 HydrophobicContact CD1-CD1 4.49Å; F333-L336 HydrophobicContact CD2-CD1 3.95Å

Retrieved 336 of 336 residues in 165.1 ms (Link to these results)

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