A0A087Y5K1_POEFO Loading...

Cytoplasmic phosphatidylinositol transfer protein 1

Catalyzes the transfer of phosphatidylinositol (PI) and phosphatidic acid (PA) between membranes. Binds PA derived from the phospholipase D signaling pathway and among the cellular PA species, preferably binds to the C16:0/16:1 and C16:1/18:1 PA species.

AlphaFold DB , UniProt , Accession A0A087Y5K1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 345 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
1M79.8Confident89.7Confident93 Ų9317.6 Ų17.646%0.4589%0.086SC..  01220-173.7174.383.400106.1V3 Q131 T188 V189 Q197 E201M1-V3 HydrophobicContact CE-CG2 4.4Å; M1-Q131 VanDerWaalsContact CE-NE2 3.31Å; M1-T188 HydrophobicContact CG-CG2 3.65Å; M1-T188 HydrophobicContact SD-CG2 3.79Å; M1-V189 CarbonylContact C-O 3.56Å; M1-V189 VanDerWaalsContact CA-O 3.26Å; M1-V189 WeakPolarHBondContact CA-O 3.5Å; M1-Q197 VanDerWaalsContact N-NE2 3.19Å; M1-E201 VanDerWaalsContact CA-OE1 3.23Å; M1-E201 WeakPolarHBondContact CA-OE1 3.32Å; M1-E201 VanDerWaalsContact N-CD 3.26Å; M1-E201 PolarHBondContact N-OE1 2.81Å; M1-E201 PolarHBondContact N-OE2 2.87Å
2Y84.4Confident89.3Confident62 Ų6216.2 Ų16.224%0.2438%0.079CC..EExtended strand (participates in β ladder)trans-127.4135.7-178.4177.9-141.5000107.9E134 V189 E201 Q202 H205Y2-E134 PolarHBondContact OH-OE2 3.42Å; Y2-V189 PolarHBondContact N-O 3.41Å; Y2-V189 PolarHBondContact O-N 3.48Å; Y2-E201 HydrophobicContact CD1-CB 4.42Å; Y2-Q202 HydrophobicContact CE1-CG 4.35Å; Y2-H205 HydrophobicContact CD1-CB 4.32Å; Y2-H205 AromaticContact CD1-CD2 3.15Å; Y2-H205 WeakPolarHBondContact CD1-CD2 3.13Å; Y2-H205 AromaticContact CD1-CG 3.68Å; Y2-H205 AromaticContact CD1-NE2 3.51Å; Y2-H205 HydrophobicContact CE1-CB 3.88Å; Y2-H205 AromaticContact CE1-CD2 3.56Å; Y2-H205 AromaticContact CE1-CG 3.55Å; Y2-H205 AromaticContact CG-NE2 3.96Å; Y2-H205 PolarHBondContact O-NE2 3.03Å
3V88.4Confident88.6Confident4 Ų422.9 Ų22.92%0.02411%0.108CC..EExtended strand (participates in β ladder)trans-126.2129.8-172.4-1760000108.7M1 R133 E134 L186 V187 T188M1-V3 HydrophobicContact CE-CG2 4.4Å; V3-R133 HydrophobicContact CB-CG 4.42Å; V3-R133 HydrophobicContact CG1-CG 3.99Å; V3-E134 PolarHBondContact O-N 3Å; V3-L186 HydrophobicContact CG1-CD1 3.59Å; V3-L186 HydrophobicContact CG1-CG 4.35Å; V3-V187 WeakPolarHBondContact CA-O 3.24Å; V3-T188 HydrophobicContact CG2-CG2 4.08Å
4A90.1Very high88Confident2 Ų222.9 Ų22.92%0.01711%0.111CC..EExtended strand (participates in β ladder)trans-137.6144.3174.100000110.8Y6 E134 V187 H205A4-Y6 HydrophobicContact CB-CE2 4.07Å; A4-E134 CarbonylContact C-O 3.56Å; A4-E134 VanDerWaalsContact CA-O 3.24Å; A4-E134 WeakPolarHBondContact CA-O 3.33Å; A4-E134 HydrophobicContact CB-CB 4.29Å; A4-V187 PolarHBondContact N-O 3.13Å; A4-V187 PolarHBondContact O-N 3.05Å; A4-H205 VanDerWaalsContact CB-CE1 3.48Å; A4-H205 WeakPolarHBondContact CB-CE1 3.41Å; A4-H205 WeakPolarHBondContact CB-ND1 3.45Å
5A92.2Very high87.6Confident16 Ų1627.7 Ų27.713%0.13215%0.145CC..EExtended strand (participates in β ladder)trans-103.4119.2172.800000109.5E134 V135 C136 K185 L186A5-E134 PolarHBondContact N-O 3.33Å; A5-V135 HydrophobicContact CB-CG2 4.48Å; A5-V135 WeakPolarHBondContact O-CA 3.41Å; A5-C136 PolarHBondContact O-N 2.99Å; A5-K185 CarbonylContact C-O 3.59Å; A5-K185 WeakPolarHBondContact CA-O 3.49Å; A5-L186 HydrophobicContact CB-CD1 4.43Å
6Y95.4Very high87.6Confident9 Ų929.6 Ų29.64%0.03515%0.153CC..EExtended strand (participates in β ladder)trans-98.4130.1173.6-59.3-86.8000109.9A4 C136 V138 K185 V187 H205 V208 R209 L212A4-Y6 HydrophobicContact CB-CE2 4.07Å; Y6-C136 WeakPolarHBondContact CA-O 3.09Å; Y6-C136 HydrophobicContact CD1-CB 3.67Å; Y6-C136 HydrophobicContact CE1-CB 3.89Å; Y6-V138 HydrophobicContact CD1-CG2 4.1Å; Y6-K185 PolarHBondContact N-O 3.31Å; Y6-K185 PolarHBondContact O-N 3.26Å; Y6-V187 HydrophobicContact CD2-CB 4.21Å; Y6-V187 HydrophobicContact CD2-CG2 3.58Å; Y6-V187 HydrophobicContact CE2-CB 3.85Å; Y6-V187 HydrophobicContact CE2-CG1 4.48Å; Y6-V187 HydrophobicContact CE2-CG2 3.62Å; Y6-H205 AromaticContact CZ-ND1 3.93Å; Y6-H205 PolarHBondContact OH-ND1 2.91Å; Y6-H205 PolarHBondContact OH-O 3.14Å; Y6-H205 VanDerWaalsContact OH-O 3.08Å; Y6-V208 HydrophobicContact CE2-CG1 4.14Å; Y6-R209 HydrophobicContact CD1-CG 4.37Å; Y6-R209 HydrophobicContact CE1-CB 3.75Å; Y6-R209 HydrophobicContact CE1-CG 3.91Å; Y6-L212 HydrophobicContact CD1-CD1 4.48Å; Y6-L212 HydrophobicContact CD2-CD1 4.04Å; Y6-L212 HydrophobicContact CG-CD1 3.94Å
7K96.1Very high87.7Confident6 Ų628.1 Ų28.13%0.02614%0.144CC..EExtended strand (participates in β ladder)trans-113.5114175.3-55.8-164.8-170.2-167.10109G118 N120 D121 V135 C136 F137 V138 Y184K7-G118 WeakPolarHBondContact CD-O 3.19Å; K7-G118 PolarHBondContact NZ-O 3.01Å; K7-N120 PolarHBondContact NZ-O 3.49Å; K7-D121 IonicContact NZ-OD1 3.75Å; K7-D121 PolarHBondContact NZ-OD1 3.05Å; K7-V135 HydrophobicContact CD-CG1 4.33Å; K7-V135 HydrophobicContact CG-CG1 4.45Å; K7-C136 PolarHBondContact N-O 3.42Å; K7-F137 HydrophobicContact CB-CD1 4Å; K7-F137 HydrophobicContact CB-CE1 4.23Å; K7-F137 HydrophobicContact CD-CD1 4.25Å; K7-F137 HydrophobicContact CD-CE1 3.64Å; K7-F137 HydrophobicContact CD-CZ 3.84Å; K7-F137 HydrophobicContact CG-CE1 4.45Å; K7-V138 PolarHBondContact O-N 3.41Å; K7-Y184 HydrophobicContact CD-CD1 4.04Å; K7-Y184 HydrophobicContact CD-CE1 3.7Å; K7-Y184 HydrophobicContact CG-CD1 3.95Å; K7-Y184 HydrophobicContact CG-CE1 4.11Å
8L94.8Very high87.9Confident0 Ų032.6 Ų32.60%016%0.159CC..EExtended strand (participates in β ladder)trans-114.2101.1-177.7-60.9110.5000109.5V138 C182 S183 K185 L212 H216L8-V138 HydrophobicContact CD2-CB 3.79Å; L8-V138 HydrophobicContact CD2-CG1 3.81Å; L8-V138 HydrophobicContact CD2-CG2 4.13Å; L8-V138 HydrophobicContact CG-CB 3.97Å; L8-V138 HydrophobicContact CG-CG2 4.19Å; L8-C182 WeakPolarHBondContact O-CA 3.3Å; L8-S183 PolarHBondContact N-O 3.42Å; L8-S183 PolarHBondContact O-N 3.22Å; L8-K185 HydrophobicContact CD1-CD 4.02Å; L8-K185 HydrophobicContact CD1-CG 4.38Å; L8-L212 HydrophobicContact CD1-CD1 4.31Å; L8-L212 HydrophobicContact CD2-CB 3.93Å; L8-H216 HydrophobicContact CD2-CB 4.12Å
9T92.2Very high88.2Confident1 Ų132.1 Ų32.11%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-74.1134.4172.447.70000110.1W173 R174 I180 M181T9-W173 WeakPolarHBondContact O-CH2 3.34Å; T9-W173 WeakPolarHBondContact OG1-CH2 3.5Å; T9-R174 HydrophobicContact CG2-CG 4.5Å; T9-R174 WeakPolarHBondContact OG1-CD 3.02Å; T9-R174 PolarHBondContact OG1-NE 3.15Å; T9-I180 HydrophobicContact CG2-CD1 4.45Å; T9-M181 CarbonylContact C-O 3.46Å; T9-M181 WeakPolarHBondContact CA-O 3.45Å
10I87Confident88.5Confident0 Ų030.6 Ų30.60%015%0.15CC..EExtended strand (participates in β ladder)trans-139.4144.3-176-45.1135000109F12 Y17 I180 M181I10-F12 VanDerWaalsContact C-N 3.27Å; I10-F12 HydrophobicContact CB-CD2 4.37Å; I10-F12 HydrophobicContact CG2-CD2 3.28Å; I10-F12 HydrophobicContact CG2-CE2 3.52Å; I10-F12 HydrophobicContact CG2-CG 4.39Å; I10-F12 PolarHBondContact O-N 3.14Å; I10-Y17 HydrophobicContact CD1-CD2 3.94Å; I10-Y17 HydrophobicContact CD1-CE2 3.46Å; I10-Y17 VanDerWaalsContact CD1-CE2 3.46Å; I10-Y17 HydrophobicContact CG1-CE2 4.34Å; I10-Y17 HydrophobicContact CG2-CD2 4.41Å; I10-Y17 HydrophobicContact CG2-CE2 4.46Å; I10-I180 WeakPolarHBondContact O-CA 3.34Å; I10-M181 HydrophobicContact CB-CG 4.4Å; I10-M181 HydrophobicContact CD1-CE 4.45Å; I10-M181 PolarHBondContact N-O 3.3Å; I10-M181 PolarHBondContact O-N 3.02Å
11L86.9Confident88.7Confident1 Ų129.4 Ų29.41%0.00514%0.144CC..SBendtrans-8454.8-175.2-63.9179.4000114R166 L169 W173 Q177 P179 I180 F220L11-R166 PolarHBondContact O-NH1 2.71Å; L11-L169 HydrophobicContact CD1-CD1 4.02Å; L11-L169 HydrophobicContact CD1-CD2 3.36Å; L11-L169 HydrophobicContact CD1-CG 4.33Å; L11-W173 HydrophobicContact CD1-CE3 4.23Å; L11-W173 HydrophobicContact CD1-CZ3 4.23Å; L11-W173 HydrophobicContact CD2-CE3 3.79Å; L11-W173 HydrophobicContact CD2-CZ3 3.48Å; L11-W173 VanDerWaalsContact CD2-CZ3 3.48Å; L11-W173 HydrophobicContact CG-CE3 4.12Å; L11-W173 HydrophobicContact CG-CZ3 3.67Å; L11-Q177 HydrophobicContact CD1-CB 4.29Å; L11-Q177 HydrophobicContact CD1-CG 4.36Å; L11-Q177 HydrophobicContact CD2-CB 3.34Å; L11-Q177 HydrophobicContact CD2-CG 4.2Å; L11-Q177 HydrophobicContact CG-CB 4.47Å; L11-P179 CarbonylContact C-O 3.29Å; L11-P179 VanDerWaalsContact C-O 3.29Å; L11-P179 VanDerWaalsContact CA-O 3.24Å; L11-P179 WeakPolarHBondContact CA-O 3.21Å; L11-I180 HydrophobicContact CD2-CD1 4.44Å; L11-F220 HydrophobicContact CB-CD2 3.99Å; L11-F220 HydrophobicContact CB-CE2 3.72Å; L11-F220 HydrophobicContact CB-CZ 4.46Å; L11-F220 HydrophobicContact CD1-CD2 4.43Å; L11-F220 HydrophobicContact CD1-CE1 4.23Å; L11-F220 HydrophobicContact CD1-CE2 3.83Å; L11-F220 HydrophobicContact CD1-CZ 3.72Å; L11-F220 HydrophobicContact CG-CE2 4.36Å
12F84.8Confident89.4Confident0 Ų025.4 Ų25.40%012%0.124CC..SBendtrans-142.2161.2179.7-58.8-58.8000112I10 Q16 Y17 P179 M181 F220 V223 W226I10-F12 VanDerWaalsContact C-N 3.27Å; I10-F12 HydrophobicContact CB-CD2 4.37Å; I10-F12 HydrophobicContact CG2-CD2 3.28Å; I10-F12 HydrophobicContact CG2-CE2 3.52Å; I10-F12 HydrophobicContact CG2-CG 4.39Å; I10-F12 PolarHBondContact O-N 3.14Å; F12-Q16 HydrophobicContact CB-CB 4.34Å; F12-Y17 HydrophobicContact CD2-CD2 4.2Å; F12-P179 PolarHBondContact N-O 3.45Å; F12-M181 WeakPolarHBondContact O-CB 3.36Å; F12-M181 WeakPolarHBondContact O-CG 3.14Å; F12-F220 HydrophobicContact CE1-CD2 4.11Å; F12-F220 HydrophobicContact CE1-CE2 4.49Å; F12-F220 HydrophobicContact CE2-CB 4.43Å; F12-F220 HydrophobicContact CE2-CD2 4.1Å; F12-F220 HydrophobicContact CZ-CB 4.36Å; F12-F220 AromaticContact CZ-CD2 3.5Å; F12-F220 HydrophobicContact CZ-CD2 3.5Å; F12-F220 VanDerWaalsContact CZ-CD2 3.5Å; F12-F220 HydrophobicContact CZ-CE2 4.29Å; F12-F220 HydrophobicContact CZ-CG 4.39Å; F12-V223 HydrophobicContact CE1-CB 4.16Å; F12-V223 HydrophobicContact CE1-CG2 3.45Å; F12-V223 VanDerWaalsContact CE1-CG2 3.45Å; F12-V223 HydrophobicContact CZ-CB 4Å; F12-V223 HydrophobicContact CZ-CG2 3.81Å; F12-W226 AromaticContact CD1-CH2 3.66Å; F12-W226 HydrophobicContact CD1-CH2 3.66Å; F12-W226 HydrophobicContact CD1-CZ2 4.31Å; F12-W226 AromaticContact CD2-CH2 3.91Å; F12-W226 HydrophobicContact CD2-CH2 3.91Å; F12-W226 HydrophobicContact CD2-CZ2 4.18Å; F12-W226 AromaticContact CE1-CH2 3.49Å; F12-W226 HydrophobicContact CE1-CH2 3.49Å; F12-W226 VanDerWaalsContact CE1-CH2 3.49Å; F12-W226 AromaticContact CE1-CZ2 3.73Å; F12-W226 HydrophobicContact CE1-CZ2 3.73Å; F12-W226 AromaticContact CE2-CH2 3.74Å; F12-W226 HydrophobicContact CE2-CH2 3.74Å; F12-W226 AromaticContact CE2-CZ2 3.55Å; F12-W226 HydrophobicContact CE2-CZ2 3.55Å; F12-W226 AromaticContact CG-CH2 3.9Å; F12-W226 HydrophobicContact CG-CH2 3.9Å; F12-W226 AromaticContact CZ-CH2 3.52Å; F12-W226 HydrophobicContact CZ-CH2 3.52Å; F12-W226 AromaticContact CZ-CZ2 3.29Å; F12-W226 HydrophobicContact CZ-CZ2 3.29Å
13F80.4Confident90Very high104 Ų10422.8 Ų22.846%0.45611%0.114SC..  trans-81.6156.1160.2-66.8-72.2000110.5Q16 Y17 P179F13-Q16 WeakPolarHBondContact O-CB 3.33Å; F13-Q16 PolarHBondContact O-N 3.01Å; F13-Y17 PolarHBondContact O-N 2.9Å; F13-P179 HydrophobicContact CD1-CB 3.75Å; F13-P179 HydrophobicContact CD2-CB 3.77Å; F13-P179 HydrophobicContact CD2-CG 3.67Å; F13-P179 HydrophobicContact CE1-CB 3.49Å; F13-P179 VanDerWaalsContact CE1-CB 3.49Å; F13-P179 HydrophobicContact CE1-CG 4.43Å; F13-P179 HydrophobicContact CE2-CB 3.51Å; F13-P179 HydrophobicContact CE2-CG 3.56Å; F13-P179 HydrophobicContact CG-CB 3.9Å; F13-P179 HydrophobicContact CG-CG 4.19Å; F13-P179 HydrophobicContact CZ-CB 3.38Å; F13-P179 HydrophobicContact CZ-CG 3.98Å
14P79.1Confident90.3Very high23 Ų2323.4 Ų23.415%0.14912%0.117CC..Hα-helixtrans-57.2-43.5-177.3-23.533.9000113.5Q16 Y17 R18 Y90 D115P14-Q16 VanDerWaalsContact C-N 3.29Å; P14-Q16 PolarHBondContact O-N 2.91Å; P14-Y17 PolarHBondContact O-N 2.96Å; P14-Y17 VanDerWaalsContact O-N 3.17Å; P14-R18 PolarHBondContact O-N 3.09Å; P14-Y90 VanDerWaalsContact C-OH 3.3Å; P14-Y90 WeakPolarHBondContact CA-OH 3.38Å; P14-Y90 VanDerWaalsContact CB-OH 3.22Å; P14-Y90 WeakPolarHBondContact CB-OH 3.49Å; P14-Y90 PolarHBondContact O-OH 3.07Å; P14-D115 WeakPolarHBondContact CD-OD1 3.21Å; P14-D115 WeakPolarHBondContact CD-OD2 3.42Å; P14-D115 VanDerWaalsContact CG-CG 3.47Å; P14-D115 WeakPolarHBondContact CG-OD1 3.47Å; P14-D115 WeakPolarHBondContact CG-OD2 3.41Å
15P83.2Confident90.5Very high95 Ų9526.4 Ų26.462%0.61713%0.132SC*.Hα-helixtrans-60-37.3176.9-24.635.2000113.5R18P15-R18 WeakPolarHBondContact O-CB 3.1Å; P15-R18 PolarHBondContact O-N 2.97Å
16Q87.7Confident90.7Very high58 Ų5826.1 Ų26.127%0.27113%0.129SC..Hα-helixtrans-69.1-44.6176.4-64.5-178.6-30.900110.4F12 F13 P14 R18 I19 G20 W226 I227F12-Q16 HydrophobicContact CB-CB 4.34Å; F13-Q16 WeakPolarHBondContact O-CB 3.33Å; F13-Q16 PolarHBondContact O-N 3.01Å; P14-Q16 VanDerWaalsContact C-N 3.29Å; P14-Q16 PolarHBondContact O-N 2.91Å; Q16-R18 PolarHBondContact O-N 3.11Å; Q16-I19 PolarHBondContact O-N 3Å; Q16-G20 PolarHBondContact O-N 3Å; Q16-W226 HydrophobicContact CB-CZ3 4.36Å; Q16-W226 VanDerWaalsContact O-CZ3 3.3Å; Q16-W226 WeakPolarHBondContact O-CZ3 3.4Å; Q16-I227 HydrophobicContact CB-CD1 4.26Å; Q16-I227 HydrophobicContact CG-CD1 4.21Å
17Y88.6Confident90.8Very high4 Ų427.3 Ų27.32%0.01614%0.135CC..Hα-helixtrans-62.2-29.2178.3-174.2-96.5000112.4I10 F12 F13 P14 I19 G20 Q21 Y113 M181 H216I10-Y17 HydrophobicContact CD1-CD2 3.94Å; I10-Y17 HydrophobicContact CD1-CE2 3.46Å; I10-Y17 VanDerWaalsContact CD1-CE2 3.46Å; I10-Y17 HydrophobicContact CG1-CE2 4.34Å; I10-Y17 HydrophobicContact CG2-CD2 4.41Å; I10-Y17 HydrophobicContact CG2-CE2 4.46Å; F12-Y17 HydrophobicContact CD2-CD2 4.2Å; F13-Y17 PolarHBondContact O-N 2.9Å; P14-Y17 PolarHBondContact O-N 2.96Å; P14-Y17 VanDerWaalsContact O-N 3.17Å; Y17-I19 PolarHBondContact O-N 2.63Å; Y17-G20 PolarHBondContact O-N 3.15Å; Y17-Q21 HydrophobicContact CD1-CB 4.27Å; Y17-Q21 HydrophobicContact CE1-CB 3.8Å; Y17-Q21 WeakPolarHBondContact O-CB 3.35Å; Y17-Q21 WeakPolarHBondContact O-CG 3.46Å; Y17-Q21 PolarHBondContact O-N 2.57Å; Y17-Y113 HydrophobicContact CD1-CD1 4.21Å; Y17-Y113 AromaticContact CD1-CE1 3.95Å; Y17-Y113 HydrophobicContact CD1-CE1 3.95Å; Y17-Y113 AromaticContact CE1-CD1 3.96Å; Y17-Y113 HydrophobicContact CE1-CD1 3.96Å; Y17-Y113 AromaticContact CE1-CE1 3.3Å; Y17-Y113 HydrophobicContact CE1-CE1 3.3Å; Y17-Y113 AromaticContact CE1-CZ 3.86Å; Y17-M181 WeakPolarHBondContact CB-SD 3.33Å; Y17-M181 HydrophobicContact CD1-CE 3.88Å; Y17-M181 HydrophobicContact CD1-SD 4.22Å; Y17-M181 HydrophobicContact CD2-SD 4.24Å; Y17-M181 HydrophobicContact CE1-CE 4.48Å; Y17-M181 HydrophobicContact CG-CE 3.94Å; Y17-M181 HydrophobicContact CG-SD 3.68Å; Y17-H216 PolarHBondContact OH-NE2 3.01Å
18R91.3Very high90.7Very high109 Ų10928.5 Ų28.541%0.41114%0.14SC..Hα-helixtrans-57.9-35.7174.7-170.2-177.6-179.1-174.72.1112.7P14 P15 Q16 Q21 Y90 M231P14-R18 PolarHBondContact O-N 3.09Å; P15-R18 WeakPolarHBondContact O-CB 3.1Å; P15-R18 PolarHBondContact O-N 2.97Å; Q16-R18 PolarHBondContact O-N 3.11Å; R18-Q21 WeakPolarHBondContact O-CG 3.14Å; R18-Q21 PolarHBondContact O-NE2 2.77Å; R18-Y90 HydrophobicContact CB-CD1 4.36Å; R18-Y90 HydrophobicContact CB-CE1 4.08Å; R18-Y90 HydrophobicContact CB-CE2 4.38Å; R18-Y90 HydrophobicContact CG-CD1 4.03Å; R18-Y90 HydrophobicContact CG-CD2 4.39Å; R18-Y90 HydrophobicContact CG-CE1 4.27Å; R18-Y90 HydrophobicContact CG-CG 4.1Å; R18-M231 HydrophobicContact CG-SD 4.16Å
19I94.1Very high90.7Very high23 Ų2329.2 Ų29.212%0.11815%0.145CC..Hα-helixtrans-80.3-50.2176.4-62.5-179.8000109.4Q16 Y17 Q21 L22 Y23 W226 M229 M231 V234Q16-I19 PolarHBondContact O-N 3Å; Y17-I19 PolarHBondContact O-N 2.63Å; I19-Q21 VanDerWaalsContact C-N 3.29Å; I19-Q21 PolarHBondContact O-N 3.25Å; I19-L22 PolarHBondContact O-N 3.07Å; I19-L22 VanDerWaalsContact O-N 3.09Å; I19-Y23 PolarHBondContact O-N 3.46Å; I19-Y23 VanDerWaalsContact O-N 3.09Å; I19-W226 HydrophobicContact CG2-CE3 4.36Å; I19-M229 WeakPolarHBondContact CD1-O 3.15Å; I19-M229 HydrophobicContact CG2-CB 3.92Å; I19-M231 HydrophobicContact CD1-CG 4.43Å; I19-M231 HydrophobicContact CD1-SD 4.23Å; I19-M231 HydrophobicContact CG1-CG 4.33Å; I19-M231 HydrophobicContact CG1-SD 3.51Å; I19-M231 VanDerWaalsContact CG1-SD 3.51Å; I19-V234 HydrophobicContact CG2-CB 3.94Å; I19-V234 HydrophobicContact CG2-CG1 4Å; I19-V234 HydrophobicContact CG2-CG2 4.19Å
20G93.7Very high90.8Very high1 Ų131.8 Ų31.81%0.0116%0.157CC..Hα-helixtrans-57.2-37.7-179.200000113.9Q16 Y17 M24 W226Q16-G20 PolarHBondContact O-N 3Å; Y17-G20 PolarHBondContact O-N 3.15Å; G20-M24 WeakPolarHBondContact O-CB 3.5Å; G20-M24 PolarHBondContact O-N 3.38Å; G20-W226 VanDerWaalsContact CA-CD2 3.42Å; G20-W226 VanDerWaalsContact CA-CE3 3.41Å
21Q92.8Very high91.1Very high6 Ų635 Ų353%0.02817%0.172CC..Hα-helixtrans-64.5-41177.274.9-175.4-32.800112.1Y17 R18 I19 M24 I25 Y90 Y113Y17-Q21 HydrophobicContact CD1-CB 4.27Å; Y17-Q21 HydrophobicContact CE1-CB 3.8Å; Y17-Q21 WeakPolarHBondContact O-CB 3.35Å; Y17-Q21 WeakPolarHBondContact O-CG 3.46Å; Y17-Q21 PolarHBondContact O-N 2.57Å; R18-Q21 WeakPolarHBondContact O-CG 3.14Å; R18-Q21 PolarHBondContact O-NE2 2.77Å; I19-Q21 VanDerWaalsContact C-N 3.29Å; I19-Q21 PolarHBondContact O-N 3.25Å; Q21-M24 PolarHBondContact O-N 3.49Å; Q21-I25 WeakPolarHBondContact O-CB 3.47Å; Q21-I25 WeakPolarHBondContact O-CD1 3.27Å; Q21-I25 WeakPolarHBondContact O-CG1 3.39Å; Q21-I25 PolarHBondContact O-N 2.84Å; Q21-Y90 VanDerWaalsContact NE2-CD2 3.35Å; Q21-Y113 PolarHBondContact OE1-OH 3.48Å
22L94.6Very high91.3Very high9 Ų936.9 Ų36.95%0.04718%0.181CC..Hα-helixtrans-69.3-43.7-178.6-66.8176.4000110.3I19 S26 M231 V234I19-L22 PolarHBondContact O-N 3.07Å; I19-L22 VanDerWaalsContact O-N 3.09Å; L22-S26 WeakPolarHBondContact O-CB 3.47Å; L22-S26 PolarHBondContact O-N 2.73Å; L22-S26 VanDerWaalsContact O-N 3.09Å; L22-S26 PolarHBondContact O-OG 3.35Å; L22-M231 HydrophobicContact CD1-CE 3.77Å; L22-V234 HydrophobicContact CB-CG1 4.45Å; L22-V234 HydrophobicContact CB-CG2 3.81Å; L22-V234 HydrophobicContact CD1-CG1 4.04Å
23Y96.9Very high91.7Very high8 Ų837 Ų373%0.03118%0.181CC..Hα-helixtrans-58.7-52.4173.8-177.6-85.4000111.1I19 I25 S26 K27 W222 E225 W226 M229 F237I19-Y23 PolarHBondContact O-N 3.46Å; I19-Y23 VanDerWaalsContact O-N 3.09Å; Y23-I25 PolarHBondContact O-N 3.15Å; Y23-S26 PolarHBondContact O-N 3.01Å; Y23-K27 HydrophobicContact CE1-CB 4.24Å; Y23-K27 HydrophobicContact CE1-CD 3.64Å; Y23-K27 WeakPolarHBondContact O-CB 3.26Å; Y23-K27 PolarHBondContact O-N 3.49Å; Y23-K27 WeakPolarHBondContact OH-CD 3.4Å; Y23-W222 HydrophobicContact CE1-CB 4.09Å; Y23-W222 HydrophobicContact CE1-CE3 4.22Å; Y23-E225 HydrophobicContact CE1-CB 4.23Å; Y23-E225 HydrophobicContact CE2-CB 4.36Å; Y23-E225 WeakPolarHBondContact OH-CB 3.34Å; Y23-E225 PolarHBondContact OH-OE2 3.27Å; Y23-W226 HydrophobicContact CD1-CB 3.95Å; Y23-W226 AromaticContact CD1-CD1 3.47Å; Y23-W226 VanDerWaalsContact CD1-CD1 3.47Å; Y23-W226 AromaticContact CD1-CG 3.98Å; Y23-W226 HydrophobicContact CD1-CG 3.98Å; Y23-W226 HydrophobicContact CD2-CB 3.71Å; Y23-W226 AromaticContact CE1-CD1 3.97Å; Y23-W226 HydrophobicContact CE2-CB 4.28Å; Y23-W226 HydrophobicContact CG-CB 3.53Å; Y23-W226 AromaticContact CG-CD1 3.94Å; Y23-W226 AromaticContact CG-CG 3.97Å; Y23-W226 HydrophobicContact CG-CG 3.97Å; Y23-M229 HydrophobicContact CD2-CE 3.91Å; Y23-M229 HydrophobicContact CD2-SD 3.77Å; Y23-M229 HydrophobicContact CE2-CE 3.79Å; Y23-M229 HydrophobicContact CE2-SD 4.26Å; Y23-F237 AromaticContact CD2-CD1 3.67Å; Y23-F237 HydrophobicContact CD2-CD1 3.67Å; Y23-F237 HydrophobicContact CD2-CD2 4.44Å; Y23-F237 AromaticContact CD2-CE1 3.48Å; Y23-F237 HydrophobicContact CD2-CE1 3.48Å; Y23-F237 VanDerWaalsContact CD2-CE1 3.48Å; Y23-F237 HydrophobicContact CD2-CE2 4.28Å; Y23-F237 HydrophobicContact CD2-CG 4.15Å; Y23-F237 AromaticContact CD2-CZ 3.81Å; Y23-F237 HydrophobicContact CD2-CZ 3.81Å; Y23-F237 HydrophobicContact CE2-CD1 4.02Å; Y23-F237 HydrophobicContact CE2-CD2 4.09Å; Y23-F237 AromaticContact CE2-CE1 3.55Å; Y23-F237 HydrophobicContact CE2-CE1 3.55Å; Y23-F237 AromaticContact CE2-CE2 3.63Å; Y23-F237 HydrophobicContact CE2-CE2 3.63Å; Y23-F237 HydrophobicContact CE2-CG 4.26Å; Y23-F237 AromaticContact CE2-CZ 3.33Å; Y23-F237 HydrophobicContact CE2-CZ 3.33Å; Y23-F237 HydrophobicContact CG-CD1 4.42Å; Y23-F237 HydrophobicContact CG-CE1 4.06Å; Y23-F237 AromaticContact CZ-CZ 3.73Å
24M95.4Very high92.2Very high16 Ų1636.9 Ų36.98%0.07919%0.186CC..Hα-helixtrans-59.8-48.3-178.8175-85.3-65.700111.4G20 Q21 S26 K27 H28 G215 A219 W222G20-M24 WeakPolarHBondContact O-CB 3.5Å; G20-M24 PolarHBondContact O-N 3.38Å; Q21-M24 PolarHBondContact O-N 3.49Å; M24-S26 VanDerWaalsContact C-N 3.31Å; M24-S26 PolarHBondContact O-N 2.98Å; M24-K27 PolarHBondContact O-N 3.17Å; M24-H28 WeakPolarHBondContact O-CB 3.38Å; M24-H28 PolarHBondContact O-N 2.93Å; M24-H28 HydrophobicContact SD-CB 4.43Å; M24-G215 VanDerWaalsContact CG-O 3.25Å; M24-G215 WeakPolarHBondContact CG-O 3.44Å; M24-A219 HydrophobicContact CB-CB 4.18Å; M24-A219 HydrophobicContact CG-CB 4.01Å; M24-W222 HydrophobicContact CG-CZ3 4.39Å
25I94.3Very high92.6Very high65 Ų6546.3 Ų46.333%0.33322%0.218SC..Hα-helixtrans-59-45.7179.7-71.9164.4000110.2Q21 Y23 S29Q21-I25 WeakPolarHBondContact O-CB 3.47Å; Q21-I25 WeakPolarHBondContact O-CD1 3.27Å; Q21-I25 WeakPolarHBondContact O-CG1 3.39Å; Q21-I25 PolarHBondContact O-N 2.84Å; Y23-I25 PolarHBondContact O-N 3.15Å; I25-S29 WeakPolarHBondContact O-CB 3.42Å; I25-S29 PolarHBondContact O-N 3.45Å
26S95.6Very high92.7Very high10 Ų1042.8 Ų42.87%0.0720%0.2CC..Hα-helixtrans-65.2-51.7-178.2-57.10000111.8L22 Y23 M24 S29 H30 E238 I241L22-S26 WeakPolarHBondContact O-CB 3.47Å; L22-S26 PolarHBondContact O-N 2.73Å; L22-S26 VanDerWaalsContact O-N 3.09Å; L22-S26 PolarHBondContact O-OG 3.35Å; Y23-S26 PolarHBondContact O-N 3.01Å; M24-S26 VanDerWaalsContact C-N 3.31Å; M24-S26 PolarHBondContact O-N 2.98Å; S26-S29 PolarHBondContact O-N 2.91Å; S26-H30 PolarHBondContact O-N 3.02Å; S26-H30 VanDerWaalsContact O-N 3.1Å; S26-E238 WeakPolarHBondContact OG-CA 2.84Å; S26-E238 WeakPolarHBondContact OG-CB 3.28Å; S26-I241 VanDerWaalsContact O-CG2 3.22Å; S26-I241 WeakPolarHBondContact O-CG2 3.45Å
27K96.8Very high92.7Very high35 Ų3541.5 Ų41.515%0.15219%0.193CC..Hα-helixtrans-66.2-45.9-179.3-176.2173.1174-177.20111.9Y23 M24 S29 H30 E31 W222 E225 F237Y23-K27 HydrophobicContact CE1-CB 4.24Å; Y23-K27 HydrophobicContact CE1-CD 3.64Å; Y23-K27 WeakPolarHBondContact O-CB 3.26Å; Y23-K27 PolarHBondContact O-N 3.49Å; Y23-K27 WeakPolarHBondContact OH-CD 3.4Å; M24-K27 PolarHBondContact O-N 3.17Å; K27-S29 VanDerWaalsContact C-N 3.34Å; K27-S29 PolarHBondContact O-N 3.07Å; K27-H30 WeakPolarHBondContact O-CB 3.46Å; K27-H30 PolarHBondContact O-N 3.1Å; K27-H30 VanDerWaalsContact O-N 3.16Å; K27-E31 HydrophobicContact CG-CG 4.49Å; K27-E31 PolarHBondContact O-N 2.84Å; K27-W222 HydrophobicContact CB-CE3 4.29Å; K27-W222 HydrophobicContact CB-CH2 4.34Å; K27-W222 HydrophobicContact CB-CZ3 3.83Å; K27-W222 HydrophobicContact CD-CD2 3.86Å; K27-W222 HydrophobicContact CD-CE3 3.72Å; K27-W222 HydrophobicContact CD-CG 4.48Å; K27-W222 HydrophobicContact CD-CH2 4.09Å; K27-W222 HydrophobicContact CD-CZ2 4.23Å; K27-W222 HydrophobicContact CD-CZ3 3.85Å; K27-W222 HydrophobicContact CG-CE3 4.2Å; K27-W222 HydrophobicContact CG-CH2 3.89Å; K27-W222 HydrophobicContact CG-CZ2 4.39Å; K27-W222 HydrophobicContact CG-CZ3 3.8Å; K27-E225 IonicContact NZ-OE1 3.73Å; K27-E225 PolarHBondContact NZ-OE1 2.93Å; K27-E225 IonicContact NZ-OE2 3.6Å; K27-E225 PolarHBondContact NZ-OE2 3.33Å; K27-F237 HydrophobicContact CB-CE1 4.31Å; K27-F237 HydrophobicContact CB-CZ 4.19Å
28H94.8Very high92.9Very high31 Ų3141.4 Ų41.414%0.14419%0.194CC..Hα-helixtrans-58.7-46.3176.9-178.486.4000111.4M24 H30 E31 Q32 Q218 W222M24-H28 WeakPolarHBondContact O-CB 3.38Å; M24-H28 PolarHBondContact O-N 2.93Å; M24-H28 HydrophobicContact SD-CB 4.43Å; H28-H30 VanDerWaalsContact C-N 3.28Å; H28-H30 PolarHBondContact O-N 3Å; H28-E31 PolarHBondContact O-N 3.48Å; H28-Q32 WeakPolarHBondContact NE2-CG 3.42Å; H28-Q32 VanDerWaalsContact O-CB 3.3Å; H28-Q32 WeakPolarHBondContact O-CB 3.16Å; H28-Q32 VanDerWaalsContact O-CG 3.3Å; H28-Q32 WeakPolarHBondContact O-CG 3.38Å; H28-Q32 PolarHBondContact O-N 2.96Å; H28-Q218 PolarHBondContact ND1-OE1 3.07Å; H28-W222 HydrophobicContact CB-CH2 4.35Å; H28-W222 HydrophobicContact CB-CZ3 4.35Å
29S93.8Very high93Very high15 Ų1537.4 Ų37.411%0.10518%0.182CC..Hα-helixtrans-55.4-44.81761780000111.6I25 S26 K27 Q32 S33 V39I25-S29 WeakPolarHBondContact O-CB 3.42Å; I25-S29 PolarHBondContact O-N 3.45Å; S26-S29 PolarHBondContact O-N 2.91Å; K27-S29 VanDerWaalsContact C-N 3.34Å; K27-S29 PolarHBondContact O-N 3.07Å; S29-Q32 PolarHBondContact O-N 2.82Å; S29-S33 VanDerWaalsContact O-CB 3.32Å; S29-S33 WeakPolarHBondContact O-CB 3.34Å; S29-S33 PolarHBondContact O-N 3Å; S29-S33 VanDerWaalsContact O-N 3.14Å; S29-S33 PolarHBondContact O-OG 2.81Å; S29-V39 VanDerWaalsContact OG-CB 3.29Å; S29-V39 WeakPolarHBondContact OG-CB 3.16Å
30H95.2Very high93.1Very high54 Ų5438.5 Ų38.525%0.2519%0.186CC..Hα-helixtrans-67-45178.1-170.275000113.5S26 K27 H28 Q32 S33 I241 T245 K248S26-H30 PolarHBondContact O-N 3.02Å; S26-H30 VanDerWaalsContact O-N 3.1Å; K27-H30 WeakPolarHBondContact O-CB 3.46Å; K27-H30 PolarHBondContact O-N 3.1Å; K27-H30 VanDerWaalsContact O-N 3.16Å; H28-H30 VanDerWaalsContact C-N 3.28Å; H28-H30 PolarHBondContact O-N 3Å; H30-Q32 VanDerWaalsContact C-N 3.28Å; H30-Q32 PolarHBondContact O-N 2.95Å; H30-S33 PolarHBondContact O-N 2.88Å; H30-I241 HydrophobicContact CB-CG2 3.58Å; H30-T245 WeakPolarHBondContact CA-OG1 3.36Å; H30-T245 WeakPolarHBondContact CB-OG1 3.35Å; H30-T245 PolarHBondContact ND1-OG1 3.14Å; H30-K248 PolarHBondContact O-NZ 2.95Å; H30-K248 VanDerWaalsContact O-NZ 3.1Å
31E93.7Very high93.1Very high69 Ų6939.1 Ų39.132%0.32219%0.19SC..Hα-helixtrans-62.6-36.2177.3-73.6-163.2166.300112K27 H28 K151K27-E31 HydrophobicContact CG-CG 4.49Å; K27-E31 PolarHBondContact O-N 2.84Å; H28-E31 PolarHBondContact O-N 3.48Å; E31-K151 IonicContact OE1-NZ 3.48Å; E31-K151 PolarHBondContact OE1-NZ 3.01Å; E31-K151 IonicContact OE2-NZ 2.69Å; E31-K151 PolarHBondContact OE2-NZ 3.09Å
32Q90.9Very high93.2Very high40 Ų4041.9 Ų41.919%0.18721%0.207CC..Hα-helixtrans-86.9-4.3-177.9-68.4-56.1-44.700114.3H28 S29 H30 K67H28-Q32 WeakPolarHBondContact NE2-CG 3.42Å; H28-Q32 VanDerWaalsContact O-CB 3.3Å; H28-Q32 WeakPolarHBondContact O-CB 3.16Å; H28-Q32 VanDerWaalsContact O-CG 3.3Å; H28-Q32 WeakPolarHBondContact O-CG 3.38Å; H28-Q32 PolarHBondContact O-N 2.96Å; S29-Q32 PolarHBondContact O-N 2.82Å; H30-Q32 VanDerWaalsContact C-N 3.28Å; H30-Q32 PolarHBondContact O-N 2.95Å; Q32-K67 PolarHBondContact O-NZ 2.69Å; Q32-K67 VanDerWaalsContact OE1-NZ 3.13Å
33S92Very high93.3Very high2 Ų244.5 Ų44.51%0.01422%0.219CC..  trans-100.9147.7178.7-58.90000111.6S29 H30 E37 G38 V39 K248S29-S33 VanDerWaalsContact O-CB 3.32Å; S29-S33 WeakPolarHBondContact O-CB 3.34Å; S29-S33 PolarHBondContact O-N 3Å; S29-S33 VanDerWaalsContact O-N 3.14Å; S29-S33 PolarHBondContact O-OG 2.81Å; H30-S33 PolarHBondContact O-N 2.88Å; S33-E37 CarbonylContact C-O 3.56Å; S33-E37 WeakPolarHBondContact CA-O 3.24Å; S33-G38 WeakPolarHBondContact OG-CA 3.39Å; S33-V39 PolarHBondContact OG-N 3.33Å; S33-K248 WeakPolarHBondContact O-CD 3.41Å; S33-K248 WeakPolarHBondContact O-CE 3.42Å; S33-K248 PolarHBondContact O-NZ 3.38Å
34D91.3Very high93.2Very high102 Ų10246.4 Ų46.455%0.54523%0.23SC..BIsolated β-bridgetrans-147.8-179.5173.6-157.8-9000108.8G36 E37D34-G36 PolarHBondContact O-N 3Å; D34-E37 PolarHBondContact N-O 2.89Å; D34-E37 PolarHBondContact O-N 2.92Å
35R87.8Confident93.2Very high220 Ų22049.6 Ų49.683%0.8324%0.244SC*.THydrogen-bonded Turntrans-58.2115.6-179.2-172.8178.3-179.8-178.51111.1E37 K248R35-E37 VanDerWaalsContact C-N 3.31Å; R35-K248 WeakPolarHBondContact CA-O 3.41Å
36G85.3Confident93.3Very high22 Ų2251.7 Ų51.723%0.22726%0.262CS..THydrogen-bonded Turntrans77.87.2179.800000115.5D34 I249 F252D34-G36 PolarHBondContact O-N 3Å; G36-I249 PolarHBondContact N-O 3.22Å; G36-F252 VanDerWaalsContact CA-CZ 3.44Å
37E89.1Confident93.3Very high30 Ų3054.6 Ų54.614%0.1427%0.274CS..BIsolated β-bridgetrans-144.6143.8-177.1-178.3156.2-13400112S33 D34 R35 S66 K67S33-E37 CarbonylContact C-O 3.56Å; S33-E37 WeakPolarHBondContact CA-O 3.24Å; D34-E37 PolarHBondContact N-O 2.89Å; D34-E37 PolarHBondContact O-N 2.92Å; R35-E37 VanDerWaalsContact C-N 3.31Å; E37-S66 WeakPolarHBondContact OE1-CA 3.22Å; E37-S66 WeakPolarHBondContact OE1-CB 3.36Å; E37-S66 PolarHBondContact OE1-N 2.67Å; E37-S66 PolarHBondContact OE1-OG 3.05Å; E37-S66 VanDerWaalsContact OE2-CB 3.31Å; E37-S66 WeakPolarHBondContact OE2-CB 3.44Å; E37-S66 PolarHBondContact OE2-OG 3.18Å; E37-K67 WeakPolarHBondContact OE1-CG 3.36Å; E37-K67 PolarHBondContact OE1-N 3.17Å
38G92.3Very high93.2Very high3 Ų360.2 Ų60.23%0.03130%0.301CS..EExtended strand (participates in β ladder)trans108.3-148.2179.600000113.3S33 V62 Y63S33-G38 WeakPolarHBondContact OG-CA 3.39Å; G38-V62 CarbonylContact O-C 3.54Å; G38-V62 WeakPolarHBondContact O-CA 3.42Å; G38-Y63 PolarHBondContact N-O 3.19Å; G38-Y63 PolarHBondContact O-N 2.84Å
39V93.8Very high93.2Very high25 Ų2560.4 Ų60.415%0.15230%0.302CS..EExtended strand (participates in β ladder)trans-113.3111.4-163.2-179.40000111.3S29 S33 K60 V62 T245 I249S29-V39 VanDerWaalsContact OG-CB 3.29Å; S29-V39 WeakPolarHBondContact OG-CB 3.16Å; S33-V39 PolarHBondContact OG-N 3.33Å; V39-K60 HydrophobicContact CG1-CB 4.02Å; V39-K60 HydrophobicContact CG1-CD 3.6Å; V39-K60 HydrophobicContact CG1-CG 4.32Å; V39-V62 HydrophobicContact CG2-CG1 4.25Å; V39-V62 HydrophobicContact CG2-CG2 4.32Å; V39-T245 WeakPolarHBondContact O-CG2 3.13Å; V39-I249 WeakPolarHBondContact O-CD1 3.47Å
40E94.8Very high93.3Very high46 Ų4666 Ų6622%0.21534%0.339CS..EExtended strand (participates in β ladder)trans-93.4123.2169.5176.1-169.4-165.100109.1V42 K60 R61 Y63 N246 I249E40-V42 HydrophobicContact CG-CG2 4.46Å; E40-K60 CarbonylContact O-C 3.46Å; E40-K60 WeakPolarHBondContact O-CA 3.4Å; E40-K60 WeakPolarHBondContact O-CB 3.48Å; E40-R61 HydrophobicContact CB-CB 4.38Å; E40-R61 PolarHBondContact N-O 3.19Å; E40-R61 PolarHBondContact O-N 3.41Å; E40-Y63 HydrophobicContact CB-CE2 3.78Å; E40-Y63 WeakPolarHBondContact OE2-CE2 2.9Å; E40-Y63 PolarHBondContact OE2-OH 2.86Å; E40-N246 WeakPolarHBondContact CA-OD1 3.43Å; E40-I249 HydrophobicContact CB-CD1 4.27Å
41V94.9Very high93.2Very high14 Ų1469.2 Ų69.29%0.08536%0.362CS..EExtended strand (participates in β ladder)trans-87.4118.2172.7-171.90000109.2N44 K60 Q242 N246V41-N44 HydrophobicContact CG1-CB 4.28Å; V41-K60 HydrophobicContact CB-CG 4.44Å; V41-K60 HydrophobicContact CG1-CG 4.28Å; V41-K60 HydrophobicContact CG2-CD 4.11Å; V41-K60 HydrophobicContact CG2-CG 4.14Å; V41-Q242 HydrophobicContact CB-CG 3.65Å; V41-Q242 VanDerWaalsContact CB-NE2 3.33Å; V41-Q242 VanDerWaalsContact CG1-CD 3.45Å; V41-Q242 HydrophobicContact CG1-CG 4.18Å; V41-Q242 HydrophobicContact CG2-CG 3.69Å; V41-N246 PolarHBondContact N-OD1 2.91Å; V41-N246 PolarHBondContact O-ND2 2.95Å
42V94.8Very high93.1Very high64 Ų6469.8 Ų69.839%0.38836%0.364SS..EExtended strand (participates in β ladder)trans-92.5-42.6-176.6-179.60000110.9E40 E59 R61E40-V42 HydrophobicContact CG-CG2 4.46Å; V42-E59 HydrophobicContact CB-CB 4.49Å; V42-E59 HydrophobicContact CB-CG 4.41Å; V42-E59 WeakPolarHBondContact CB-O 3.46Å; V42-E59 PolarHBondContact N-O 2.85Å; V42-R61 HydrophobicContact CG2-CG 3.83Å
43Q95.3Very high93.3Very high64 Ų6469.2 Ų69.230%0.29937%0.369SS..EExtended strand (participates in β ladder)trans-141.1141.2-178.8-16616910.600109.8E45 F57 T58 E59Q43-E45 HydrophobicContact CG-CG 4.25Å; Q43-E45 PolarHBondContact NE2-OE1 3.27Å; Q43-E45 PolarHBondContact NE2-OE2 2.74Å; Q43-F57 HydrophobicContact CB-CE1 4.39Å; Q43-F57 HydrophobicContact CG-CD1 4.28Å; Q43-F57 HydrophobicContact CG-CE1 4.28Å; Q43-T58 CarbonylContact O-C 3.54Å; Q43-T58 VanDerWaalsContact O-CA 3.24Å; Q43-T58 WeakPolarHBondContact O-CA 3.22Å; Q43-E59 HydrophobicContact CB-CB 4.02Å; Q43-E59 PolarHBondContact N-O 3.27Å; Q43-E59 VanDerWaalsContact N-O 3.1Å; Q43-E59 PolarHBondContact O-N 2.69Å
44N95.1Very high93.5Very high48 Ų4877.1 Ų77.126%0.25741%0.406SS..EExtended strand (participates in β ladder)trans-152101.3174.2-177.72000108.3V41 Q56 F57 T58 Q242V41-N44 HydrophobicContact CG1-CB 4.28Å; N44-Q56 WeakPolarHBondContact OD1-CG 3.4Å; N44-Q56 PolarHBondContact OD1-NE2 3.13Å; N44-F57 WeakPolarHBondContact CA-O 3.36Å; N44-T58 HydrophobicContact CB-CG2 4.17Å; N44-Q242 PolarHBondContact ND2-OE1 2.92Å
45E95.3Very high93.7Very high83 Ų8373 Ų7339%0.38839%0.388SS..EExtended strand (participates in β ladder)trans-146.3156.1-173.566.6-174.7-161.500112.8Q43 Q56 F57Q43-E45 HydrophobicContact CG-CG 4.25Å; Q43-E45 PolarHBondContact NE2-OE1 3.27Å; Q43-E45 PolarHBondContact NE2-OE2 2.74Å; E45-Q56 PolarHBondContact O-NE2 2.84Å; E45-F57 HydrophobicContact CG-CD1 4.47Å; E45-F57 PolarHBondContact N-O 3.03Å; E45-F57 PolarHBondContact O-N 2.97Å
46P96.1Very high94.1Very high109 Ų10964.2 Ų64.271%0.70836%0.356SS*.EExtended strand (participates in β ladder)trans-58144.1170.4-22.334000111.4
47F95.9Very high94.6Very high71 Ų7163.9 Ų63.931%0.31135%0.348SS..EExtended strand (participates in β ladder)trans-135.8142.9178.6-173.4-90.4000110D49 G55 F57 W87 Y89F47-D49 HydrophobicContact CD1-CB 4.4Å; F47-D49 HydrophobicContact CE1-CB 4.01Å; F47-G55 PolarHBondContact N-O 3.21Å; F47-G55 CarbonylContact O-C 3.57Å; F47-G55 PolarHBondContact O-N 2.79Å; F47-F57 HydrophobicContact CB-CB 3.8Å; F47-F57 HydrophobicContact CD2-CB 4.11Å; F47-F57 HydrophobicContact CG-CB 4.17Å; F47-W87 AromaticContact CD1-CD1 3.9Å; F47-W87 AromaticContact CE1-CD1 3.86Å; F47-Y89 AromaticContact CD1-CE1 3.88Å; F47-Y89 HydrophobicContact CD1-CE1 3.88Å; F47-Y89 WeakPolarHBondContact CD1-OH 3.12Å; F47-Y89 HydrophobicContact CE1-CE1 4.35Å; F47-Y89 WeakPolarHBondContact CE1-OH 3.23Å
48E95.7Very high95Very high153 Ų15363.3 Ų63.372%0.71535%0.347SS*.EExtended strand (participates in β ladder)trans-118.7122.3176-173.3170.7-167.500109.3
49D94.8Very high95.3Very high34 Ų3464.8 Ų64.818%0.18235%0.353CS..EExtended strand (participates in β ladder)trans-106.5136.3177.8-174.4-93.3000110.9F47 V51 H52 G53 Y89F47-D49 HydrophobicContact CD1-CB 4.4Å; F47-D49 HydrophobicContact CE1-CB 4.01Å; D49-V51 PolarHBondContact O-N 3.43Å; D49-V51 WeakPolarHBondContact OD1-CA 3.21Å; D49-V51 WeakPolarHBondContact OD1-CB 3.4Å; D49-V51 PolarHBondContact OD1-N 2.53Å; D49-H52 HydrophobicContact CB-CB 4.12Å; D49-H52 IonicContact OD1-CD2 2.69Å; D49-H52 PolarHBondContact OD1-CD2 3.02Å; D49-H52 IonicContact OD1-CG 3.79Å; D49-H52 PolarHBondContact OD1-N 2.75Å; D49-G53 PolarHBondContact N-O 3.46Å; D49-G53 VanDerWaalsContact O-CA 3.27Å; D49-G53 WeakPolarHBondContact O-CA 3.49Å; D49-G53 PolarHBondContact O-N 3.1Å; D49-Y89 HydrophobicContact CB-CD1 4.24Å; D49-Y89 HydrophobicContact CB-CE1 3.38Å
50P94.4Very high95.4Very high133 Ų13364.9 Ų64.986%0.86435%0.351SS*.THydrogen-bonded Turntrans-60.5-26.3179.9-24.734.2000114.9
51V93.6Very high95.5Very high122 Ų12266.2 Ų66.274%0.73936%0.355SS*.THydrogen-bonded Turntrans-102.5-43.4-176-1790000110.9D49D49-V51 PolarHBondContact O-N 3.43Å; D49-V51 WeakPolarHBondContact OD1-CA 3.21Å; D49-V51 WeakPolarHBondContact OD1-CB 3.4Å; D49-V51 PolarHBondContact OD1-N 2.53Å
52H93.1Very high95.4Very high81 Ų8166.6 Ų66.638%0.37536%0.357SS..THydrogen-bonded Turntrans-98.1-8.1-172.9-58.3-58000114.1D49 Y89 Y92D49-H52 HydrophobicContact CB-CB 4.12Å; D49-H52 IonicContact OD1-CD2 2.69Å; D49-H52 PolarHBondContact OD1-CD2 3.02Å; D49-H52 IonicContact OD1-CG 3.79Å; D49-H52 PolarHBondContact OD1-N 2.75Å; H52-Y89 HydrophobicContact CB-CD1 3.75Å; H52-Y89 HydrophobicContact CB-CD2 3.78Å; H52-Y89 HydrophobicContact CB-CE1 4.18Å; H52-Y89 HydrophobicContact CB-CE2 4.19Å; H52-Y89 HydrophobicContact CB-CG 3.53Å; H52-Y92 AromaticContact CE1-CD1 3.66Å; H52-Y92 AromaticContact CE1-CE1 3.55Å; H52-Y92 AromaticContact ND1-CD1 3.75Å; H52-Y92 AromaticContact NE2-CD1 3.92Å; H52-Y92 AromaticContact NE2-CE1 3.5Å
53G94.4Very high95.3Very high28 Ų2864.2 Ų64.229%0.28934%0.341SS..EExtended strand (participates in β ladder)trans76.3-146.3177.300000113.2D49D49-G53 PolarHBondContact N-O 3.46Å; D49-G53 VanDerWaalsContact O-CA 3.27Å; D49-G53 WeakPolarHBondContact O-CA 3.49Å; D49-G53 PolarHBondContact O-N 3.1Å
54Q95.8Very high94.9Very high168 Ų16863.4 Ų63.479%0.78534%0.338SS*.EExtended strand (participates in β ladder)trans-71.3137.1-177.2-65.8-177.3-3.200112
55G94.9Very high94.1Very high16 Ų1664 Ų6417%0.16534%0.341CS..EExtended strand (participates in β ladder)trans-154.7-166.3177.800000112.7F47 N88F47-G55 PolarHBondContact N-O 3.21Å; F47-G55 CarbonylContact O-C 3.57Å; F47-G55 PolarHBondContact O-N 2.79Å; G55-N88 CarbonylContact C-O 3.59Å; G55-N88 WeakPolarHBondContact CA-O 3.5Å
56Q95.9Very high93.2Very high34 Ų3463.8 Ų63.816%0.15935%0.349CS..EExtended strand (participates in β ladder)trans-125.3130.3175.4-164.379.82100109.1N44 E45 T58 N88N44-Q56 WeakPolarHBondContact OD1-CG 3.4Å; N44-Q56 PolarHBondContact OD1-NE2 3.13Å; E45-Q56 PolarHBondContact O-NE2 2.84Å; Q56-T58 HydrophobicContact CG-CG2 4.44Å; Q56-N88 HydrophobicContact CB-CB 4.48Å; Q56-N88 PolarHBondContact N-O 2.96Å; Q56-N88 PolarHBondContact O-N 3.28Å
57F97.6Very high92.5Very high15 Ų1562.1 Ų62.17%0.06633%0.331CS..EExtended strand (participates in β ladder)trans-96.8136.1168.4175.9-106000110.2Q43 N44 E45 F47 E59 K85 A86 W87Q43-F57 HydrophobicContact CB-CE1 4.39Å; Q43-F57 HydrophobicContact CG-CD1 4.28Å; Q43-F57 HydrophobicContact CG-CE1 4.28Å; N44-F57 WeakPolarHBondContact CA-O 3.36Å; E45-F57 HydrophobicContact CG-CD1 4.47Å; E45-F57 PolarHBondContact N-O 3.03Å; E45-F57 PolarHBondContact O-N 2.97Å; F47-F57 HydrophobicContact CB-CB 3.8Å; F47-F57 HydrophobicContact CD2-CB 4.11Å; F47-F57 HydrophobicContact CG-CB 4.17Å; F57-E59 HydrophobicContact CE1-CB 4.05Å; F57-E59 HydrophobicContact CZ-CB 4.03Å; F57-K85 HydrophobicContact CE2-CB 4.05Å; F57-K85 HydrophobicContact CE2-CD 4.39Å; F57-K85 HydrophobicContact CE2-CG 4.27Å; F57-K85 HydrophobicContact CZ-CB 4.4Å; F57-K85 HydrophobicContact CZ-CD 4.2Å; F57-K85 HydrophobicContact CZ-CG 4.13Å; F57-A86 CarbonylContact C-O 3.56Å; F57-A86 WeakPolarHBondContact CA-O 3.48Å; F57-W87 AromaticContact CD2-CD1 3.7Å; F57-W87 HydrophobicContact CD2-CD2 4.07Å; F57-W87 AromaticContact CD2-CE2 3.63Å; F57-W87 HydrophobicContact CD2-CG 4.11Å; F57-W87 HydrophobicContact CD2-CZ2 4.2Å; F57-W87 AromaticContact CD2-NE1 3.37Å; F57-W87 HydrophobicContact CE2-CD2 4.27Å; F57-W87 AromaticContact CE2-CE2 3.64Å; F57-W87 HydrophobicContact CE2-CH2 4.39Å; F57-W87 AromaticContact CE2-CZ2 3.72Å; F57-W87 HydrophobicContact CE2-CZ2 3.72Å; F57-W87 AromaticContact CE2-NE1 3.8Å
58T97.4Very high92Very high19 Ų1959.9 Ų59.912%0.11732%0.322CS..EExtended strand (participates in β ladder)trans-132.4141.1169.462.30000111Q43 N44 Q56 K85 A86Q43-T58 CarbonylContact O-C 3.54Å; Q43-T58 VanDerWaalsContact O-CA 3.24Å; Q43-T58 WeakPolarHBondContact O-CA 3.22Å; N44-T58 HydrophobicContact CB-CG2 4.17Å; Q56-T58 HydrophobicContact CG-CG2 4.44Å; T58-K85 CarbonylContact O-C 3.48Å; T58-K85 WeakPolarHBondContact O-CA 3.24Å; T58-A86 PolarHBondContact N-O 3.37Å; T58-A86 PolarHBondContact O-N 3.04Å
59E97.6Very high91.5Very high34 Ų3454.3 Ų54.316%0.15930%0.299CS..EExtended strand (participates in β ladder)trans-121129.6167.7-176.4172.415600109V42 Q43 F57 T83 E84 K85V42-E59 HydrophobicContact CB-CB 4.49Å; V42-E59 HydrophobicContact CB-CG 4.41Å; V42-E59 WeakPolarHBondContact CB-O 3.46Å; V42-E59 PolarHBondContact N-O 2.85Å; Q43-E59 HydrophobicContact CB-CB 4.02Å; Q43-E59 PolarHBondContact N-O 3.27Å; Q43-E59 VanDerWaalsContact N-O 3.1Å; Q43-E59 PolarHBondContact O-N 2.69Å; F57-E59 HydrophobicContact CE1-CB 4.05Å; F57-E59 HydrophobicContact CZ-CB 4.03Å; E59-T83 HydrophobicContact CG-CG2 4.02Å; E59-E84 CarbonylContact C-O 3.57Å; E59-E84 VanDerWaalsContact CA-O 3.31Å; E59-E84 WeakPolarHBondContact CA-O 3.18Å; E59-K85 HydrophobicContact CB-CG 4.47Å; E59-K85 HydrophobicContact CG-CG 4.15Å; E59-K85 WeakPolarHBondContact OE2-CE 3.41Å; E59-K85 IonicContact OE2-NZ 2.69Å
60K96.5Very high91.1Very high26 Ų2656.7 Ų56.711%0.11332%0.319CS..EExtended strand (participates in β ladder)trans-131.7151.9178.5-48-178.4-165.9140.70111.1V39 E40 V41 T83 E84V39-K60 HydrophobicContact CG1-CB 4.02Å; V39-K60 HydrophobicContact CG1-CD 3.6Å; V39-K60 HydrophobicContact CG1-CG 4.32Å; E40-K60 CarbonylContact O-C 3.46Å; E40-K60 WeakPolarHBondContact O-CA 3.4Å; E40-K60 WeakPolarHBondContact O-CB 3.48Å; V41-K60 HydrophobicContact CB-CG 4.44Å; V41-K60 HydrophobicContact CG1-CG 4.28Å; V41-K60 HydrophobicContact CG2-CD 4.11Å; V41-K60 HydrophobicContact CG2-CG 4.14Å; K60-T83 CarbonylContact O-C 3.58Å; K60-T83 WeakPolarHBondContact O-CA 3.33Å; K60-E84 HydrophobicContact CB-CB 4.28Å; K60-E84 WeakPolarHBondContact CD-OE1 3.2Å; K60-E84 WeakPolarHBondContact CE-OE1 3.39Å; K60-E84 PolarHBondContact N-O 2.87Å; K60-E84 IonicContact NZ-OE1 3.6Å; K60-E84 PolarHBondContact NZ-OE1 2.82Å; K60-E84 PolarHBondContact O-N 2.97Å
61R95.6Very high90.6Very high75 Ų7554.2 Ų54.228%0.28329%0.292SS..EExtended strand (participates in β ladder)trans-111.5123.6170.1-67.8173.1-177161.41.9109.1E40 V42 Y63 Y81E40-R61 HydrophobicContact CB-CB 4.38Å; E40-R61 PolarHBondContact N-O 3.19Å; E40-R61 PolarHBondContact O-N 3.41Å; V42-R61 HydrophobicContact CG2-CG 3.83Å; R61-Y63 HydrophobicContact CB-CE2 3.89Å; R61-Y81 HydrophobicContact CB-CD2 4.2Å; R61-Y81 HydrophobicContact CB-CG 4.46Å; R61-Y81 HydrophobicContact CG-CD2 3.87Å; R61-Y81 HydrophobicContact CG-CE2 4.07Å; R61-Y81 HydrophobicContact CG-CG 4.49Å
62V93.9Very high90.2Very high21 Ų2148.7 Ų48.713%0.12726%0.259CS..EExtended strand (participates in β ladder)trans-106.6113.5180-166.80000109.4G38 V39 L64 Y81 V82G38-V62 CarbonylContact O-C 3.54Å; G38-V62 WeakPolarHBondContact O-CA 3.42Å; V39-V62 HydrophobicContact CG2-CG1 4.25Å; V39-V62 HydrophobicContact CG2-CG2 4.32Å; V62-L64 HydrophobicContact CG1-CD1 4.39Å; V62-L64 HydrophobicContact CG1-CD2 3.65Å; V62-L64 HydrophobicContact CG1-CG 3.91Å; V62-Y81 WeakPolarHBondContact O-CA 2.82Å; V62-V82 HydrophobicContact CB-CB 4.38Å; V62-V82 PolarHBondContact N-O 2.85Å; V62-V82 PolarHBondContact O-N 2.8Å
63Y91.9Very high89.9Confident14 Ų1451.2 Ų51.26%0.05527%0.265CS..EExtended strand (participates in β ladder)trans-94.2120.8177.7-56.6-83.2000109.2G38 E40 R61 Y81 I249 F252G38-Y63 PolarHBondContact N-O 3.19Å; G38-Y63 PolarHBondContact O-N 2.84Å; E40-Y63 HydrophobicContact CB-CE2 3.78Å; E40-Y63 WeakPolarHBondContact OE2-CE2 2.9Å; E40-Y63 PolarHBondContact OE2-OH 2.86Å; R61-Y63 HydrophobicContact CB-CE2 3.89Å; Y63-Y81 HydrophobicContact CE1-CD1 4.14Å; Y63-Y81 HydrophobicContact CE1-CG 4.29Å; Y63-I249 HydrophobicContact CD2-CG2 4.45Å; Y63-F252 HydrophobicContact CD1-CE1 4.22Å; Y63-F252 AromaticContact CD1-CE2 3.95Å; Y63-F252 HydrophobicContact CD1-CE2 3.95Å; Y63-F252 AromaticContact CD1-CZ 3.75Å; Y63-F252 HydrophobicContact CD1-CZ 3.75Å; Y63-F252 AromaticContact CD2-CE2 3.58Å; Y63-F252 HydrophobicContact CD2-CE2 3.58Å; Y63-F252 AromaticContact CD2-CZ 3.86Å; Y63-F252 HydrophobicContact CD2-CZ 3.86Å; Y63-F252 HydrophobicContact CE1-CD1 4.45Å; Y63-F252 AromaticContact CE1-CD2 3.88Å; Y63-F252 HydrophobicContact CE1-CD2 3.88Å; Y63-F252 HydrophobicContact CE1-CE1 4.32Å; Y63-F252 AromaticContact CE1-CE2 3.69Å; Y63-F252 HydrophobicContact CE1-CE2 3.69Å; Y63-F252 HydrophobicContact CE1-CG 4.22Å; Y63-F252 AromaticContact CE1-CZ 3.91Å; Y63-F252 HydrophobicContact CE1-CZ 3.91Å; Y63-F252 AromaticContact CE2-CD2 3.85Å; Y63-F252 HydrophobicContact CE2-CD2 3.85Å; Y63-F252 AromaticContact CE2-CE2 3.3Å; Y63-F252 HydrophobicContact CE2-CE2 3.3Å; Y63-F252 HydrophobicContact CE2-CZ 4.02Å; Y63-F252 AromaticContact CG-CE2 3.89Å; Y63-F252 HydrophobicContact CG-CE2 3.89Å; Y63-F252 AromaticContact CG-CZ 3.72Å; Y63-F252 HydrophobicContact CG-CZ 3.72Å; Y63-F252 AromaticContact CZ-CD2 3.48Å; Y63-F252 VanDerWaalsContact CZ-CD2 3.48Å; Y63-F252 AromaticContact CZ-CE2 3.35Å
64L87.4Confident89.4Confident47 Ų4753.8 Ų53.825%0.24628%0.284CS..  trans-123.921.9-167.8-63.2174.3000113.8V62 S66 K67 L68 F80 V82V62-L64 HydrophobicContact CG1-CD1 4.39Å; V62-L64 HydrophobicContact CG1-CD2 3.65Å; V62-L64 HydrophobicContact CG1-CG 3.91Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 2.97Å; L64-K67 HydrophobicContact CD2-CB 4.43Å; L64-K67 HydrophobicContact CD2-CD 4.37Å; L64-K67 PolarHBondContact O-N 3.06Å; L64-L68 PolarHBondContact O-N 3.29Å; L64-L68 VanDerWaalsContact O-N 3.15Å; L64-F80 HydrophobicContact CB-CZ 4.16Å; L64-V82 HydrophobicContact CD1-CG2 4.08Å
65N77.1Confident88.8Confident60 Ų6050.1 Ų50.132%0.32127%0.273SS..THydrogen-bonded Turntrans-57.8-39-167.2-79.2-14.3000114.5R73 K78N65-R73 WeakPolarHBondContact O-CD 3.4Å; N65-K78 PolarHBondContact ND2-O 3.41Å; N65-K78 PolarHBondContact OD1-O 2.69Å
66S77.5Confident88.2Confident80 Ų8050.6 Ų50.656%0.55927%0.272SS*.THydrogen-bonded Turntrans-93.1-24.1179.397.70000112.5E37 L64E37-S66 WeakPolarHBondContact OE1-CA 3.22Å; E37-S66 WeakPolarHBondContact OE1-CB 3.36Å; E37-S66 PolarHBondContact OE1-N 2.67Å; E37-S66 PolarHBondContact OE1-OG 3.05Å; E37-S66 VanDerWaalsContact OE2-CB 3.31Å; E37-S66 WeakPolarHBondContact OE2-CB 3.44Å; E37-S66 PolarHBondContact OE2-OG 3.18Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 2.97Å
67K81.5Confident87.6Confident73 Ų7351.2 Ų51.232%0.31728%0.28SS..THydrogen-bonded Turntrans-77.8-11.7179.4-70.5177.7-168.7-165.50115.3Q32 E37 L64Q32-K67 PolarHBondContact O-NZ 2.69Å; Q32-K67 VanDerWaalsContact OE1-NZ 3.13Å; E37-K67 WeakPolarHBondContact OE1-CG 3.36Å; E37-K67 PolarHBondContact OE1-N 3.17Å; L64-K67 HydrophobicContact CD2-CB 4.43Å; L64-K67 HydrophobicContact CD2-CD 4.37Å; L64-K67 PolarHBondContact O-N 3.06Å
68L84.6Confident86.5Confident25 Ų2559.4 Ų59.413%0.13132%0.315CS..SBendtrans-73.7140.3175.7-78.3-173.5000113L64 A72 R73 V76 F80L64-L68 PolarHBondContact O-N 3.29Å; L64-L68 VanDerWaalsContact O-N 3.15Å; L68-A72 HydrophobicContact CB-CB 4.31Å; L68-A72 HydrophobicContact CD1-CB 4.23Å; L68-A72 HydrophobicContact CD2-CB 4.2Å; L68-R73 HydrophobicContact CB-CG 3.51Å; L68-R73 HydrophobicContact CD1-CG 4.36Å; L68-R73 WeakPolarHBondContact O-CD 3.34Å; L68-R73 PolarHBondContact O-NE 3.36Å; L68-R73 VanDerWaalsContact O-NE 3.08Å; L68-V76 HydrophobicContact CD1-CB 4.24Å; L68-V76 HydrophobicContact CD1-CG1 4.42Å; L68-V76 HydrophobicContact CD1-CG2 4.29Å; L68-F80 HydrophobicContact CD1-CE1 3.59Å; L68-F80 HydrophobicContact CD1-CE2 4.44Å; L68-F80 HydrophobicContact CD1-CZ 3.36Å; L68-F80 HydrophobicContact CD2-CZ 4.37Å; L68-F80 HydrophobicContact CG-CE1 4.44Å; L68-F80 HydrophobicContact CG-CZ 3.94Å
69P84.9Confident85.6Confident36 Ų3664.8 Ų64.823%0.23434%0.342CS..  trans-63.6154.5171.929.9-37000111W71 A72 R73 F203P69-W71 VanDerWaalsContact C-N 3.25Å; P69-W71 HydrophobicContact CG-CD2 4.43Å; P69-W71 HydrophobicContact CG-CZ2 3.94Å; P69-W71 PolarHBondContact O-N 2.81Å; P69-W71 VanDerWaalsContact O-N 3.13Å; P69-A72 HydrophobicContact CG-CB 3.83Å; P69-A72 PolarHBondContact O-N 2.73Å; P69-R73 PolarHBondContact O-N 2.55Å; P69-F203 VanDerWaalsContact CD-CZ 3.44Å; P69-F203 HydrophobicContact CG-CE1 4.14Å; P69-F203 HydrophobicContact CG-CE2 3.7Å; P69-F203 HydrophobicContact CG-CZ 3.48Å; P69-F203 VanDerWaalsContact CG-CZ 3.48Å
70S86.4Confident85.2Confident84 Ų8463.8 Ų63.859%0.58734%0.337SS*.Hα-helixtrans-55.7-35.9-172.6-55.30000114.2R73 A74S70-R73 PolarHBondContact OG-NH2 2.95Å; S70-A74 PolarHBondContact O-N 2.82Å
71W84.9Confident84.9Confident81 Ų8163.7 Ų63.731%0.30734%0.336SS..Hα-helixtrans-67.9-35.3176.967.5-97.2000112.5P69 A74 V200 F203P69-W71 VanDerWaalsContact C-N 3.25Å; P69-W71 HydrophobicContact CG-CD2 4.43Å; P69-W71 HydrophobicContact CG-CZ2 3.94Å; P69-W71 PolarHBondContact O-N 2.81Å; P69-W71 VanDerWaalsContact O-N 3.13Å; W71-A74 PolarHBondContact O-N 3Å; W71-V200 HydrophobicContact CH2-CG2 4.08Å; W71-V200 HydrophobicContact CZ3-CG2 4.17Å; W71-F203 HydrophobicContact CH2-CD1 4.02Å; W71-F203 HydrophobicContact CH2-CG 4.27Å; W71-F203 HydrophobicContact CZ2-CB 4.09Å; W71-F203 AromaticContact CZ2-CD1 3.7Å; W71-F203 HydrophobicContact CZ2-CD1 3.7Å; W71-F203 HydrophobicContact CZ2-CD2 4.02Å; W71-F203 HydrophobicContact CZ2-CE1 4.15Å; W71-F203 HydrophobicContact CZ2-CE2 4.45Å; W71-F203 AromaticContact CZ2-CG 3.63Å; W71-F203 HydrophobicContact CZ2-CG 3.63Å
72A85.7Confident84.8Confident5 Ų561 Ų614%0.04133%0.327CS..Hα-helixtrans-74.6-40.9178.300000110.5L68 P69 A74 V75 V76L68-A72 HydrophobicContact CB-CB 4.31Å; L68-A72 HydrophobicContact CD1-CB 4.23Å; L68-A72 HydrophobicContact CD2-CB 4.2Å; P69-A72 HydrophobicContact CG-CB 3.83Å; P69-A72 PolarHBondContact O-N 2.73Å; A72-A74 PolarHBondContact O-N 3.47Å; A72-A74 VanDerWaalsContact O-N 3.14Å; A72-V75 WeakPolarHBondContact O-CG2 3.49Å; A72-V75 PolarHBondContact O-N 3.24Å; A72-V76 WeakPolarHBondContact O-CG2 3.36Å; A72-V76 PolarHBondContact O-N 3.37Å; A72-V76 VanDerWaalsContact O-N 3.09Å
73R86.4Confident85Confident134 Ų13460.7 Ų60.751%0.50633%0.326SS..Hα-helixtrans-59.4-24.7174.3-70.9-170-72.4143.81.8113.5N65 L68 P69 S70 V75N65-R73 WeakPolarHBondContact O-CD 3.4Å; L68-R73 HydrophobicContact CB-CG 3.51Å; L68-R73 HydrophobicContact CD1-CG 4.36Å; L68-R73 WeakPolarHBondContact O-CD 3.34Å; L68-R73 PolarHBondContact O-NE 3.36Å; L68-R73 VanDerWaalsContact O-NE 3.08Å; P69-R73 PolarHBondContact O-N 2.55Å; S70-R73 PolarHBondContact OG-NH2 2.95Å; R73-V75 VanDerWaalsContact C-N 3.3Å
74A84.5Confident85.3Confident83 Ų8361.2 Ų61.269%0.68633%0.329SS*.THydrogen-bonded Turntrans-73.8-19.5177.700000113.7S70 W71 A72S70-A74 PolarHBondContact O-N 2.82Å; W71-A74 PolarHBondContact O-N 3Å; A72-A74 PolarHBondContact O-N 3.47Å; A72-A74 VanDerWaalsContact O-N 3.14Å
75V82Confident85.8Confident90 Ų9062.6 Ų62.655%0.54533%0.333SS..THydrogen-bonded Turntrans-119.6-14.1-172.7-58.50000114.1A72 R73A72-V75 WeakPolarHBondContact O-CG2 3.49Å; A72-V75 PolarHBondContact O-N 3.24Å; R73-V75 VanDerWaalsContact C-N 3.3Å
76V82.4Confident86.8Confident26 Ų2660.2 Ų60.216%0.15832%0.321CS..SBendtrans-100.1137.3179.5-175.70000109.6L68 A72 F80 F101L68-V76 HydrophobicContact CD1-CB 4.24Å; L68-V76 HydrophobicContact CD1-CG1 4.42Å; L68-V76 HydrophobicContact CD1-CG2 4.29Å; A72-V76 WeakPolarHBondContact O-CG2 3.36Å; A72-V76 PolarHBondContact O-N 3.37Å; A72-V76 VanDerWaalsContact O-N 3.09Å; V76-F80 HydrophobicContact CB-CD1 4.43Å; V76-F80 HydrophobicContact CB-CE1 4.41Å; V76-F80 HydrophobicContact CG1-CB 4.05Å; V76-F80 HydrophobicContact CG1-CD1 3.17Å; V76-F80 HydrophobicContact CG1-CD2 3.73Å; V76-F80 HydrophobicContact CG1-CE1 3.43Å; V76-F80 VanDerWaalsContact CG1-CE1 3.43Å; V76-F80 HydrophobicContact CG1-CE2 3.96Å; V76-F80 HydrophobicContact CG1-CG 3.33Å; V76-F80 HydrophobicContact CG1-CZ 3.83Å; V76-F101 HydrophobicContact CG1-CD1 4.46Å
77P83.3Confident87.7Confident48 Ų4858.7 Ų58.731%0.31230%0.303SS..  trans-63.4157.5177.927.7-35.9000111.3I79 F80 F101P77-I79 PolarHBondContact O-N 2.93Å; P77-I79 VanDerWaalsContact O-N 3.14Å; P77-F80 HydrophobicContact CG-CB 4.26Å; P77-F80 WeakPolarHBondContact O-CD1 3.27Å; P77-F101 VanDerWaalsContact CD-CE1 3.42Å; P77-F101 VanDerWaalsContact CD-CG 3.42Å; P77-F101 HydrophobicContact CG-CB 4.08Å; P77-F101 HydrophobicContact CG-CD1 4.02Å; P77-F101 HydrophobicContact CG-CD2 3.53Å; P77-F101 HydrophobicContact CG-CE1 4.36Å; P77-F101 HydrophobicContact CG-CE2 3.9Å; P77-F101 HydrophobicContact CG-CG 3.59Å; P77-F101 HydrophobicContact CG-CZ 4.3Å
78K75.5Confident88.4Confident187 Ų18756.8 Ų56.881%0.81330%0.297SS*.SBendtrans-64.4-17.7179.7-67.4-175.5178.8179.80114.1N65N65-K78 PolarHBondContact ND2-O 3.41Å; N65-K78 PolarHBondContact OD1-O 2.69Å
79I77.9Confident88.9Confident132 Ų13256.5 Ų56.568%0.67729%0.294SS*.SBendtrans-124.485.8-178.5-51.5173.6000106.5P77P77-I79 PolarHBondContact O-N 2.93Å; P77-I79 VanDerWaalsContact O-N 3.14Å
80F88.3Confident89.2Confident12 Ų1256.8 Ų56.85%0.05329%0.291CS..  trans-136.6162.5168.883.7-71.1000108.8L64 L68 V76 P77 F101L64-F80 HydrophobicContact CB-CZ 4.16Å; L68-F80 HydrophobicContact CD1-CE1 3.59Å; L68-F80 HydrophobicContact CD1-CE2 4.44Å; L68-F80 HydrophobicContact CD1-CZ 3.36Å; L68-F80 HydrophobicContact CD2-CZ 4.37Å; L68-F80 HydrophobicContact CG-CE1 4.44Å; L68-F80 HydrophobicContact CG-CZ 3.94Å; V76-F80 HydrophobicContact CB-CD1 4.43Å; V76-F80 HydrophobicContact CB-CE1 4.41Å; V76-F80 HydrophobicContact CG1-CB 4.05Å; V76-F80 HydrophobicContact CG1-CD1 3.17Å; V76-F80 HydrophobicContact CG1-CD2 3.73Å; V76-F80 HydrophobicContact CG1-CE1 3.43Å; V76-F80 VanDerWaalsContact CG1-CE1 3.43Å; V76-F80 HydrophobicContact CG1-CE2 3.96Å; V76-F80 HydrophobicContact CG1-CG 3.33Å; V76-F80 HydrophobicContact CG1-CZ 3.83Å; P77-F80 HydrophobicContact CG-CB 4.26Å; P77-F80 WeakPolarHBondContact O-CD1 3.27Å; F80-F101 HydrophobicContact CB-CB 4.16Å
81Y91.4Very high89.5Confident25 Ų2556.4 Ų56.410%0.09829%0.286CS..  trans-146.1160.4173.253.4-91.1000109R61 V62 Y63 T83 S100 S255R61-Y81 HydrophobicContact CB-CD2 4.2Å; R61-Y81 HydrophobicContact CB-CG 4.46Å; R61-Y81 HydrophobicContact CG-CD2 3.87Å; R61-Y81 HydrophobicContact CG-CE2 4.07Å; R61-Y81 HydrophobicContact CG-CG 4.49Å; V62-Y81 WeakPolarHBondContact O-CA 2.82Å; Y63-Y81 HydrophobicContact CE1-CD1 4.14Å; Y63-Y81 HydrophobicContact CE1-CG 4.29Å; Y81-T83 WeakPolarHBondContact CE2-OG1 3.36Å; Y81-S100 PolarHBondContact N-OG 2.88Å; Y81-S100 PolarHBondContact O-N 3.3Å; Y81-S100 PolarHBondContact O-OG 3.42Å; Y81-S100 VanDerWaalsContact O-OG 3.11Å; Y81-S255 WeakPolarHBondContact CE1-OG 3.37Å; Y81-S255 PolarHBondContact OH-OG 2.88Å
82V94.3Very high90Very high17 Ų1754.3 Ų54.310%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-100.2125.3167.8-178.20000107.1V62 L64 Y97 T98V62-V82 HydrophobicContact CB-CB 4.38Å; V62-V82 PolarHBondContact N-O 2.85Å; V62-V82 PolarHBondContact O-N 2.8Å; L64-V82 HydrophobicContact CD1-CG2 4.08Å; V82-Y97 HydrophobicContact CG1-CD1 3.78Å; V82-Y97 HydrophobicContact CG1-CG 4.31Å; V82-T98 CarbonylContact C-O 3.53Å; V82-T98 VanDerWaalsContact CA-O 3.29Å; V82-T98 WeakPolarHBondContact CA-O 3.2Å; V82-T98 WeakPolarHBondContact CG1-O 3.3Å
83T96.6Very high90.5Very high15 Ų1554.6 Ų54.69%0.09228%0.28CS..EExtended strand (participates in β ladder)trans-86120.6171.3-57.40000108.2E59 K60 Y81 K85 Y97 T98E59-T83 HydrophobicContact CG-CG2 4.02Å; K60-T83 CarbonylContact O-C 3.58Å; K60-T83 WeakPolarHBondContact O-CA 3.33Å; Y81-T83 WeakPolarHBondContact CE2-OG1 3.36Å; T83-K85 HydrophobicContact CG2-CG 4.31Å; T83-Y97 CarbonylContact O-C 3.56Å; T83-Y97 VanDerWaalsContact O-CA 3.25Å; T83-Y97 WeakPolarHBondContact O-CA 3.3Å; T83-T98 PolarHBondContact N-O 2.73Å; T83-T98 PolarHBondContact O-N 3.14Å
84E97.8Very high91Very high25 Ų2549.7 Ų49.712%0.11726%0.263CS..EExtended strand (participates in β ladder)trans-97.1126.1168.3177.3-176.8109.100108.4E59 K60 T95 E96 Y97E59-E84 CarbonylContact C-O 3.57Å; E59-E84 VanDerWaalsContact CA-O 3.31Å; E59-E84 WeakPolarHBondContact CA-O 3.18Å; K60-E84 HydrophobicContact CB-CB 4.28Å; K60-E84 WeakPolarHBondContact CD-OE1 3.2Å; K60-E84 WeakPolarHBondContact CE-OE1 3.39Å; K60-E84 PolarHBondContact N-O 2.87Å; K60-E84 IonicContact NZ-OE1 3.6Å; K60-E84 PolarHBondContact NZ-OE1 2.82Å; K60-E84 PolarHBondContact O-N 2.97Å; E84-T95 HydrophobicContact CG-CG2 3.78Å; E84-E96 CarbonylContact C-O 3.08Å; E84-E96 WeakPolarHBondContact CA-O 3.46Å; E84-Y97 HydrophobicContact CB-CD1 3.84Å; E84-Y97 HydrophobicContact CB-CE1 3.56Å; E84-Y97 HydrophobicContact CG-CD1 4.18Å; E84-Y97 HydrophobicContact CG-CE1 3.54Å; E84-Y97 WeakPolarHBondContact OE2-CE1 3.28Å; E84-Y97 VanDerWaalsContact OE2-CZ 3.23Å; E84-Y97 PolarHBondContact OE2-OH 2.84Å
85K98.1Very high91.6Very high76 Ų7646.4 Ų46.433%0.3324%0.235SC..EExtended strand (participates in β ladder)trans-116.6128.1165.4-70.5-174.2177.6-169.60108.4F57 T58 E59 T83 W87 T95 E96F57-K85 HydrophobicContact CE2-CB 4.05Å; F57-K85 HydrophobicContact CE2-CD 4.39Å; F57-K85 HydrophobicContact CE2-CG 4.27Å; F57-K85 HydrophobicContact CZ-CB 4.4Å; F57-K85 HydrophobicContact CZ-CD 4.2Å; F57-K85 HydrophobicContact CZ-CG 4.13Å; T58-K85 CarbonylContact O-C 3.48Å; T58-K85 WeakPolarHBondContact O-CA 3.24Å; E59-K85 HydrophobicContact CB-CG 4.47Å; E59-K85 HydrophobicContact CG-CG 4.15Å; E59-K85 WeakPolarHBondContact OE2-CE 3.41Å; E59-K85 IonicContact OE2-NZ 2.69Å; T83-K85 HydrophobicContact CG2-CG 4.31Å; K85-W87 HydrophobicContact CB-CH2 3.74Å; K85-W87 HydrophobicContact CB-CZ2 4.45Å; K85-W87 HydrophobicContact CB-CZ3 3.85Å; K85-W87 HydrophobicContact CD-CH2 4.26Å; K85-T95 CarbonylContact O-C 3.59Å; K85-T95 VanDerWaalsContact O-CA 3.32Å; K85-T95 WeakPolarHBondContact O-CA 3.15Å; K85-E96 PolarHBondContact N-O 2.97Å; K85-E96 PolarHBondContact O-N 2.88Å
86A98Very high92.4Very high10 Ų1046 Ų468%0.08323%0.227CC..EExtended strand (participates in β ladder)trans-130.3134179.400000111.2F57 T58 I94 T95F57-A86 CarbonylContact C-O 3.56Å; F57-A86 WeakPolarHBondContact CA-O 3.48Å; T58-A86 PolarHBondContact N-O 3.37Å; T58-A86 PolarHBondContact O-N 3.04Å; A86-I94 CarbonylContact C-O 3.6Å; A86-I94 WeakPolarHBondContact CA-O 3.4Å; A86-T95 HydrophobicContact CB-CG2 4.02Å
87W98Very high93.1Very high48 Ų4847.1 Ų47.118%0.18223%0.229CC..EExtended strand (participates in β ladder)trans-114.5108.3172.5-61.5-99.5000108.8F47 F57 K85 Y89 T93 I94 E96F47-W87 AromaticContact CD1-CD1 3.9Å; F47-W87 AromaticContact CE1-CD1 3.86Å; F57-W87 AromaticContact CD2-CD1 3.7Å; F57-W87 HydrophobicContact CD2-CD2 4.07Å; F57-W87 AromaticContact CD2-CE2 3.63Å; F57-W87 HydrophobicContact CD2-CG 4.11Å; F57-W87 HydrophobicContact CD2-CZ2 4.2Å; F57-W87 AromaticContact CD2-NE1 3.37Å; F57-W87 HydrophobicContact CE2-CD2 4.27Å; F57-W87 AromaticContact CE2-CE2 3.64Å; F57-W87 HydrophobicContact CE2-CH2 4.39Å; F57-W87 AromaticContact CE2-CZ2 3.72Å; F57-W87 HydrophobicContact CE2-CZ2 3.72Å; F57-W87 AromaticContact CE2-NE1 3.8Å; K85-W87 HydrophobicContact CB-CH2 3.74Å; K85-W87 HydrophobicContact CB-CZ2 4.45Å; K85-W87 HydrophobicContact CB-CZ3 3.85Å; K85-W87 HydrophobicContact CD-CH2 4.26Å; W87-Y89 HydrophobicContact CB-CD2 4.34Å; W87-Y89 HydrophobicContact CB-CE2 3.45Å; W87-Y89 VanDerWaalsContact CB-CE2 3.45Å; W87-Y89 WeakPolarHBondContact CB-OH 3.38Å; W87-Y89 HydrophobicContact CG-CE2 4.43Å; W87-T93 WeakPolarHBondContact O-CA 3.32Å; W87-T93 WeakPolarHBondContact O-CG2 3.26Å; W87-I94 HydrophobicContact CE3-CB 4.35Å; W87-I94 HydrophobicContact CE3-CG2 4.2Å; W87-I94 PolarHBondContact N-O 3.34Å; W87-I94 PolarHBondContact O-N 3.09Å; W87-E96 HydrophobicContact CZ3-CB 4.25Å; W87-E96 HydrophobicContact CZ3-CG 3.94Å
88N96.4Very high93.7Very high34 Ų3448.1 Ų48.118%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-102.8103.8-176-175.1-13.9000110.5G55 Q56 Y90 T93G55-N88 CarbonylContact C-O 3.59Å; G55-N88 WeakPolarHBondContact CA-O 3.5Å; Q56-N88 HydrophobicContact CB-CB 4.48Å; Q56-N88 PolarHBondContact N-O 2.96Å; Q56-N88 PolarHBondContact O-N 3.28Å; N88-Y90 WeakPolarHBondContact OD1-CB 3.33Å; N88-Y90 PolarHBondContact OD1-N 3.41Å; N88-T93 HydrophobicContact CB-CG2 4.32Å; N88-T93 PolarHBondContact OD1-OG1 2.9Å
89Y95.1Very high94.5Very high19 Ų1939.8 Ų39.88%0.07520%0.199CC..EExtended strand (participates in β ladder)trans-108.841.7175-46.2-75.7000110.5F47 D49 H52 W87 P91 Y92F47-Y89 AromaticContact CD1-CE1 3.88Å; F47-Y89 HydrophobicContact CD1-CE1 3.88Å; F47-Y89 WeakPolarHBondContact CD1-OH 3.12Å; F47-Y89 HydrophobicContact CE1-CE1 4.35Å; F47-Y89 WeakPolarHBondContact CE1-OH 3.23Å; D49-Y89 HydrophobicContact CB-CD1 4.24Å; D49-Y89 HydrophobicContact CB-CE1 3.38Å; H52-Y89 HydrophobicContact CB-CD1 3.75Å; H52-Y89 HydrophobicContact CB-CD2 3.78Å; H52-Y89 HydrophobicContact CB-CE1 4.18Å; H52-Y89 HydrophobicContact CB-CE2 4.19Å; H52-Y89 HydrophobicContact CB-CG 3.53Å; W87-Y89 HydrophobicContact CB-CD2 4.34Å; W87-Y89 HydrophobicContact CB-CE2 3.45Å; W87-Y89 VanDerWaalsContact CB-CE2 3.45Å; W87-Y89 WeakPolarHBondContact CB-OH 3.38Å; W87-Y89 HydrophobicContact CG-CE2 4.43Å; Y89-P91 VanDerWaalsContact O-N 3.16Å; Y89-Y92 CarbonylContact C-O 3.49Å; Y89-Y92 VanDerWaalsContact CA-O 3.29Å; Y89-Y92 WeakPolarHBondContact CA-O 3.34Å; Y89-Y92 HydrophobicContact CD2-CD1 4.25Å; Y89-Y92 PolarHBondContact N-O 3.13Å; Y89-Y92 PolarHBondContact O-N 3.14Å; Y89-Y92 VanDerWaalsContact O-N 3.1Å
90Y91.1Very high95.1Very high42 Ų4236.3 Ų36.317%0.16519%0.187CC..THydrogen-bonded Turntrans-35.5122.5-169.6-174.4-88.2000112.8P14 R18 Q21 N88 Y92 Y113P14-Y90 VanDerWaalsContact C-OH 3.3Å; P14-Y90 WeakPolarHBondContact CA-OH 3.38Å; P14-Y90 VanDerWaalsContact CB-OH 3.22Å; P14-Y90 WeakPolarHBondContact CB-OH 3.49Å; P14-Y90 PolarHBondContact O-OH 3.07Å; R18-Y90 HydrophobicContact CB-CD1 4.36Å; R18-Y90 HydrophobicContact CB-CE1 4.08Å; R18-Y90 HydrophobicContact CB-CE2 4.38Å; R18-Y90 HydrophobicContact CG-CD1 4.03Å; R18-Y90 HydrophobicContact CG-CD2 4.39Å; R18-Y90 HydrophobicContact CG-CE1 4.27Å; R18-Y90 HydrophobicContact CG-CG 4.1Å; Q21-Y90 VanDerWaalsContact NE2-CD2 3.35Å; N88-Y90 WeakPolarHBondContact OD1-CB 3.33Å; N88-Y90 PolarHBondContact OD1-N 3.41Å; Y90-Y92 PolarHBondContact N-O 3.16Å; Y90-Y113 AromaticContact CD2-CD2 3.96Å; Y90-Y113 HydrophobicContact CD2-CD2 3.96Å; Y90-Y113 AromaticContact CD2-CE2 3.74Å; Y90-Y113 HydrophobicContact CD2-CE2 3.74Å; Y90-Y113 AromaticContact CE2-CD2 3.52Å; Y90-Y113 HydrophobicContact CE2-CD2 3.52Å; Y90-Y113 AromaticContact CE2-CE2 3.61Å; Y90-Y113 HydrophobicContact CE2-CE2 3.61Å; Y90-Y113 HydrophobicContact CE2-CG 4.14Å
91P92.8Very high95Very high75 Ų7540.4 Ų40.449%0.48721%0.205SC..THydrogen-bonded Turncis-92.514.621.237.3-37.8000116.1Y89 Y113Y89-P91 VanDerWaalsContact O-N 3.16Å; P91-Y113 HydrophobicContact CB-CD2 4.11Å; P91-Y113 WeakPolarHBondContact O-CD2 3.36Å
92Y94.5Very high94.7Very high37 Ų3741.4 Ų41.415%0.14521%0.212CC..EExtended strand (participates in β ladder)trans-110.5141.7173.7-177.8-125.1000111.3H52 Y89 Y90 I94 E110 T111 K112H52-Y92 AromaticContact CE1-CD1 3.66Å; H52-Y92 AromaticContact CE1-CE1 3.55Å; H52-Y92 AromaticContact ND1-CD1 3.75Å; H52-Y92 AromaticContact NE2-CD1 3.92Å; H52-Y92 AromaticContact NE2-CE1 3.5Å; Y89-Y92 CarbonylContact C-O 3.49Å; Y89-Y92 VanDerWaalsContact CA-O 3.29Å; Y89-Y92 WeakPolarHBondContact CA-O 3.34Å; Y89-Y92 HydrophobicContact CD2-CD1 4.25Å; Y89-Y92 PolarHBondContact N-O 3.13Å; Y89-Y92 PolarHBondContact O-N 3.14Å; Y89-Y92 VanDerWaalsContact O-N 3.1Å; Y90-Y92 PolarHBondContact N-O 3.16Å; Y92-I94 HydrophobicContact CE1-CD1 3.71Å; Y92-I94 HydrophobicContact CE1-CG1 3.64Å; Y92-I94 HydrophobicContact CE2-CG1 4.49Å; Y92-I94 WeakPolarHBondContact OH-CG1 3.23Å; Y92-E110 HydrophobicContact CE2-CB 4.21Å; Y92-E110 HydrophobicContact CE2-CG 4.45Å; Y92-E110 PolarHBondContact OH-OE2 3.1Å; Y92-T111 WeakPolarHBondContact CA-O 3.36Å; Y92-T111 VanDerWaalsContact CD2-O 3.3Å; Y92-T111 WeakPolarHBondContact CD2-O 3.15Å; Y92-K112 HydrophobicContact CD2-CD 4.5Å; Y92-K112 HydrophobicContact CD2-CG 3.73Å; Y92-K112 HydrophobicContact CE2-CG 4.31Å
93T96.1Very high93.9Very high12 Ų1246.7 Ų46.77%0.07425%0.246CC..EExtended strand (participates in β ladder)trans-143.6135.3177.3-55.80000110.3W87 N88 E110 T111W87-T93 WeakPolarHBondContact O-CA 3.32Å; W87-T93 WeakPolarHBondContact O-CG2 3.26Å; N88-T93 HydrophobicContact CB-CG2 4.32Å; N88-T93 PolarHBondContact OD1-OG1 2.9Å; T93-E110 CarbonylContact O-C 3.58Å; T93-E110 WeakPolarHBondContact O-CA 3.34Å; T93-T111 PolarHBondContact N-O 2.83Å; T93-T111 PolarHBondContact O-N 3.28Å
94I97.1Very high93.4Very high30 Ų3051.7 Ų51.715%0.15427%0.267CS..EExtended strand (participates in β ladder)trans-109.7135170.9-59.3171.2000107.6A86 W87 Y92 E96 I109A86-I94 CarbonylContact C-O 3.6Å; A86-I94 WeakPolarHBondContact CA-O 3.4Å; W87-I94 HydrophobicContact CE3-CB 4.35Å; W87-I94 HydrophobicContact CE3-CG2 4.2Å; W87-I94 PolarHBondContact N-O 3.34Å; W87-I94 PolarHBondContact O-N 3.09Å; Y92-I94 HydrophobicContact CE1-CD1 3.71Å; Y92-I94 HydrophobicContact CE1-CG1 3.64Å; Y92-I94 HydrophobicContact CE2-CG1 4.49Å; Y92-I94 WeakPolarHBondContact OH-CG1 3.23Å; I94-E96 HydrophobicContact CG2-CG 4.46Å; I94-I109 CarbonylContact C-O 3.58Å; I94-I109 WeakPolarHBondContact CA-O 3.27Å
95T98Very high93.1Very high15 Ų1551.4 Ų51.49%0.09227%0.265CS..EExtended strand (participates in β ladder)trans-135.7130.9174.5-51.20000110.4E84 K85 A86 Y97 I109E84-T95 HydrophobicContact CG-CG2 3.78Å; K85-T95 CarbonylContact O-C 3.59Å; K85-T95 VanDerWaalsContact O-CA 3.32Å; K85-T95 WeakPolarHBondContact O-CA 3.15Å; A86-T95 HydrophobicContact CB-CG2 4.02Å; T95-Y97 HydrophobicContact CG2-CD2 4.17Å; T95-Y97 HydrophobicContact CG2-CE2 3.43Å; T95-Y97 VanDerWaalsContact CG2-CE2 3.43Å; T95-I109 PolarHBondContact N-O 3.3Å; T95-I109 PolarHBondContact O-N 3.07Å
96E98Very high93Very high80 Ų8049.9 Ų49.937%0.37426%0.264SS..EExtended strand (participates in β ladder)trans-121.1131.3-179.3-65.8-174159.500110.2E84 K85 W87 I94 I107 H108E84-E96 CarbonylContact C-O 3.08Å; E84-E96 WeakPolarHBondContact CA-O 3.46Å; K85-E96 PolarHBondContact N-O 2.97Å; K85-E96 PolarHBondContact O-N 2.88Å; W87-E96 HydrophobicContact CZ3-CB 4.25Å; W87-E96 HydrophobicContact CZ3-CG 3.94Å; I94-E96 HydrophobicContact CG2-CG 4.46Å; E96-I107 CarbonylContact C-O 3.55Å; E96-I107 WeakPolarHBondContact CA-O 3.43Å; E96-H108 IonicContact OE1-CE1 2.73Å; E96-H108 IonicContact OE1-ND1 3.83Å
97Y97.4Very high93Very high50 Ų5050.2 Ų50.220%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-114.7131.7173-59.7-96.9000109.8V82 T83 E84 T95 S106 I107 I109V82-Y97 HydrophobicContact CG1-CD1 3.78Å; V82-Y97 HydrophobicContact CG1-CG 4.31Å; T83-Y97 CarbonylContact O-C 3.56Å; T83-Y97 VanDerWaalsContact O-CA 3.25Å; T83-Y97 WeakPolarHBondContact O-CA 3.3Å; E84-Y97 HydrophobicContact CB-CD1 3.84Å; E84-Y97 HydrophobicContact CB-CE1 3.56Å; E84-Y97 HydrophobicContact CG-CD1 4.18Å; E84-Y97 HydrophobicContact CG-CE1 3.54Å; E84-Y97 WeakPolarHBondContact OE2-CE1 3.28Å; E84-Y97 VanDerWaalsContact OE2-CZ 3.23Å; E84-Y97 PolarHBondContact OE2-OH 2.84Å; T95-Y97 HydrophobicContact CG2-CD2 4.17Å; T95-Y97 HydrophobicContact CG2-CE2 3.43Å; T95-Y97 VanDerWaalsContact CG2-CE2 3.43Å; Y97-S106 CarbonylContact O-C 3.57Å; Y97-S106 VanDerWaalsContact O-CA 3.23Å; Y97-S106 WeakPolarHBondContact O-CA 3.47Å; Y97-I107 HydrophobicContact CD2-CB 3.85Å; Y97-I107 HydrophobicContact CD2-CD1 4.36Å; Y97-I107 HydrophobicContact CD2-CG2 4.22Å; Y97-I107 HydrophobicContact CG-CB 4.22Å; Y97-I107 HydrophobicContact CG-CD1 4.25Å; Y97-I107 PolarHBondContact N-O 3.17Å; Y97-I107 PolarHBondContact O-N 2.94Å; Y97-I109 HydrophobicContact CD2-CD1 4.44Å; Y97-I109 HydrophobicContact CE2-CD1 3.78Å; Y97-I109 HydrophobicContact CE2-CG1 4.34Å
98T95.9Very high93Very high69 Ų6950.4 Ų50.442%0.42327%0.267SS..EExtended strand (participates in β ladder)trans-127.5155.6171.356.20000109.4V82 T83V82-T98 CarbonylContact C-O 3.53Å; V82-T98 VanDerWaalsContact CA-O 3.29Å; V82-T98 WeakPolarHBondContact CA-O 3.2Å; V82-T98 WeakPolarHBondContact CG1-O 3.3Å; T83-T98 PolarHBondContact N-O 2.73Å; T83-T98 PolarHBondContact O-N 3.14Å
99C92.2Very high93Very high13 Ų1349.5 Ų49.59%0.08826%0.262CS..EExtended strand (participates in β ladder)trans-108.9132.1178.8179.60000110.3F101 L102 F105C99-F101 PolarHBondContact O-N 3.07Å; C99-F101 VanDerWaalsContact O-N 3.11Å; C99-L102 HydrophobicContact CB-CB 3.94Å; C99-L102 PolarHBondContact O-N 3Å; C99-F105 HydrophobicContact CB-CB 4.24Å; C99-F105 HydrophobicContact CB-CD1 3.63Å; C99-F105 HydrophobicContact CB-CE1 4.45Å; C99-F105 HydrophobicContact CB-CG 4.3Å
100S90.2Very high93.1Very high59 Ų5950.2 Ų50.241%0.41327%0.266SS..SBendtrans-64.3-16.7179.7600000114.4Y81Y81-S100 PolarHBondContact N-OG 2.88Å; Y81-S100 PolarHBondContact O-N 3.3Å; Y81-S100 PolarHBondContact O-OG 3.42Å; Y81-S100 VanDerWaalsContact O-OG 3.11Å
101F86.6Confident93.3Very high97 Ų9748.2 Ų48.243%0.42526%0.258SS..SBendtrans-107.2-27.1178.1179.4-114.2000113.9V76 P77 F80 C99 P103V76-F101 HydrophobicContact CG1-CD1 4.46Å; P77-F101 VanDerWaalsContact CD-CE1 3.42Å; P77-F101 VanDerWaalsContact CD-CG 3.42Å; P77-F101 HydrophobicContact CG-CB 4.08Å; P77-F101 HydrophobicContact CG-CD1 4.02Å; P77-F101 HydrophobicContact CG-CD2 3.53Å; P77-F101 HydrophobicContact CG-CE1 4.36Å; P77-F101 HydrophobicContact CG-CE2 3.9Å; P77-F101 HydrophobicContact CG-CG 3.59Å; P77-F101 HydrophobicContact CG-CZ 4.3Å; F80-F101 HydrophobicContact CB-CB 4.16Å; C99-F101 PolarHBondContact O-N 3.07Å; C99-F101 VanDerWaalsContact O-N 3.11Å; F101-P103 VanDerWaalsContact O-CD 3.24Å; F101-P103 WeakPolarHBondContact O-CD 3.46Å
102L85.5Confident93.4Very high47 Ų4747.5 Ų47.525%0.24625%0.247CC..  trans-113.786.7-173.5-60.8170000109.1C99 K104 F105 F191C99-L102 HydrophobicContact CB-CB 3.94Å; C99-L102 PolarHBondContact O-N 3Å; L102-K104 PolarHBondContact O-N 3.24Å; L102-K104 VanDerWaalsContact O-N 3.09Å; L102-F105 HydrophobicContact CB-CB 3.69Å; L102-F105 VanDerWaalsContact O-CB 3.32Å; L102-F105 WeakPolarHBondContact O-CB 3.17Å; L102-F105 PolarHBondContact O-N 3.45Å; L102-F191 HydrophobicContact CD1-CE2 3.99Å; L102-F191 HydrophobicContact CD2-CE2 4.4Å
103P76.6Confident93.3Very high128 Ų12846.9 Ų46.983%0.83125%0.245SC*.THydrogen-bonded Turntrans-64.4-20.8-170.623.7-34.3000114.1F101F101-P103 VanDerWaalsContact O-CD 3.24Å; F101-P103 WeakPolarHBondContact O-CD 3.46Å
104K85.9Confident93.2Very high120 Ų12049.1 Ų49.152%0.52226%0.255SS..THydrogen-bonded Turntrans-96.84.4176.8-64.3-170.8163.5-147.80114L102 E192L102-K104 PolarHBondContact O-N 3.24Å; L102-K104 VanDerWaalsContact O-N 3.09Å; K104-E192 HydrophobicContact CB-CB 4.37Å; K104-E192 HydrophobicContact CD-CB 4.03Å; K104-E192 IonicContact NZ-OE2 3.3Å; K104-E192 PolarHBondContact NZ-OE2 2.64Å
105F92.4Very high93Very high19 Ų1952.4 Ų52.48%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-88.6126.3174.5175.2-102000109.9C99 L102 I107 V189 K190 F191 V204C99-F105 HydrophobicContact CB-CB 4.24Å; C99-F105 HydrophobicContact CB-CD1 3.63Å; C99-F105 HydrophobicContact CB-CE1 4.45Å; C99-F105 HydrophobicContact CB-CG 4.3Å; L102-F105 HydrophobicContact CB-CB 3.69Å; L102-F105 VanDerWaalsContact O-CB 3.32Å; L102-F105 WeakPolarHBondContact O-CB 3.17Å; L102-F105 PolarHBondContact O-N 3.45Å; F105-I107 HydrophobicContact CE1-CD1 4.3Å; F105-I107 HydrophobicContact CE1-CG1 4.04Å; F105-I107 HydrophobicContact CE2-CG1 4.31Å; F105-I107 HydrophobicContact CZ-CD1 3.81Å; F105-I107 HydrophobicContact CZ-CG1 3.6Å; F105-V189 HydrophobicContact CE2-CG1 4.17Å; F105-K190 WeakPolarHBondContact CA-O 3.49Å; F105-F191 HydrophobicContact CB-CD2 4.07Å; F105-F191 HydrophobicContact CD2-CB 4.35Å; F105-F191 AromaticContact CD2-CD2 3.93Å; F105-F191 HydrophobicContact CD2-CD2 3.93Å; F105-F191 HydrophobicContact CD2-CG 4.5Å; F105-F191 HydrophobicContact CG-CD2 4.48Å; F105-V204 HydrophobicContact CE2-CG1 4.47Å; F105-V204 HydrophobicContact CE2-CG2 3.9Å; F105-V204 HydrophobicContact CZ-CG1 4.26Å; F105-V204 HydrophobicContact CZ-CG2 4.09Å
106S95.5Very high92.7Very high44 Ų4453.1 Ų53.131%0.30828%0.276SS..EExtended strand (participates in β ladder)trans-143.9147170.364.80000112.2Y97 K190Y97-S106 CarbonylContact O-C 3.57Å; Y97-S106 VanDerWaalsContact O-CA 3.23Å; Y97-S106 WeakPolarHBondContact O-CA 3.47Å; S106-K190 PolarHBondContact N-O 2.79Å; S106-K190 PolarHBondContact O-N 2.86Å
107I97.6Very high92.4Very high16 Ų1652.6 Ų52.68%0.08227%0.272CS..EExtended strand (participates in β ladder)trans-118.9128.7163.3-44.5173.1000106.7E96 Y97 F105 I109 V187 T188 V189 V204 V208E96-I107 CarbonylContact C-O 3.55Å; E96-I107 WeakPolarHBondContact CA-O 3.43Å; Y97-I107 HydrophobicContact CD2-CB 3.85Å; Y97-I107 HydrophobicContact CD2-CD1 4.36Å; Y97-I107 HydrophobicContact CD2-CG2 4.22Å; Y97-I107 HydrophobicContact CG-CB 4.22Å; Y97-I107 HydrophobicContact CG-CD1 4.25Å; Y97-I107 PolarHBondContact N-O 3.17Å; Y97-I107 PolarHBondContact O-N 2.94Å; F105-I107 HydrophobicContact CE1-CD1 4.3Å; F105-I107 HydrophobicContact CE1-CG1 4.04Å; F105-I107 HydrophobicContact CE2-CG1 4.31Å; F105-I107 HydrophobicContact CZ-CD1 3.81Å; F105-I107 HydrophobicContact CZ-CG1 3.6Å; I107-I109 HydrophobicContact CG2-CD1 4.21Å; I107-I109 HydrophobicContact CG2-CG1 3.89Å; I107-V187 HydrophobicContact CG2-CG1 3.87Å; I107-T188 CarbonylContact C-O 3.58Å; I107-T188 WeakPolarHBondContact CA-O 3.16Å; I107-V189 HydrophobicContact CG1-CG2 4.28Å; I107-V189 HydrophobicContact CG2-CG2 4.06Å; I107-V204 HydrophobicContact CD1-CG1 3.44Å; I107-V204 VanDerWaalsContact CD1-CG1 3.44Å; I107-V204 HydrophobicContact CG1-CG1 3.94Å; I107-V208 HydrophobicContact CD1-CG2 4.49Å
108H97.2Very high92.2Very high53 Ų5350.3 Ų50.325%0.24526%0.264CS..EExtended strand (participates in β ladder)trans-117128.2172.2-17686.4000108.4E96 V187 T188E96-H108 IonicContact OE1-CE1 2.73Å; E96-H108 IonicContact OE1-ND1 3.83Å; H108-V187 WeakPolarHBondContact O-CA 3.03Å; H108-T188 PolarHBondContact N-O 2.71Å; H108-T188 PolarHBondContact O-N 3.38Å
109I97.4Very high92Very high14 Ų1451.3 Ų51.37%0.07227%0.274CS..EExtended strand (participates in β ladder)trans-126.3119.3-178.9-49.4-173.9000109.1I94 T95 Y97 I107 K185 L186 V187I94-I109 CarbonylContact C-O 3.58Å; I94-I109 WeakPolarHBondContact CA-O 3.27Å; T95-I109 PolarHBondContact N-O 3.3Å; T95-I109 PolarHBondContact O-N 3.07Å; Y97-I109 HydrophobicContact CD2-CD1 4.44Å; Y97-I109 HydrophobicContact CE2-CD1 3.78Å; Y97-I109 HydrophobicContact CE2-CG1 4.34Å; I107-I109 HydrophobicContact CG2-CD1 4.21Å; I107-I109 HydrophobicContact CG2-CG1 3.89Å; I109-K185 HydrophobicContact CG2-CB 4.27Å; I109-L186 VanDerWaalsContact CA-O 3.32Å; I109-L186 WeakPolarHBondContact CA-O 3.44Å; I109-V187 HydrophobicContact CD1-CG2 4.17Å; I109-V187 HydrophobicContact CG1-CG1 4.25Å; I109-V187 HydrophobicContact CG1-CG2 4.07Å; I109-V187 HydrophobicContact CG2-CG2 4.03Å
110E96.5Very high92Very high34 Ų3452.9 Ų52.916%0.15928%0.281CS..EExtended strand (participates in β ladder)trans-98.9132.7164.8-66.2178.2-116.300108.8Y92 T93 F124 K185 L186Y92-E110 HydrophobicContact CE2-CB 4.21Å; Y92-E110 HydrophobicContact CE2-CG 4.45Å; Y92-E110 PolarHBondContact OH-OE2 3.1Å; T93-E110 CarbonylContact O-C 3.58Å; T93-E110 WeakPolarHBondContact O-CA 3.34Å; E110-F124 HydrophobicContact CB-CD1 4.02Å; E110-F124 HydrophobicContact CB-CE1 3.66Å; E110-F124 WeakPolarHBondContact O-CZ 3.46Å; E110-K185 CarbonylContact O-C 3.58Å; E110-K185 WeakPolarHBondContact O-CA 3.48Å; E110-L186 HydrophobicContact CB-CB 4.44Å; E110-L186 PolarHBondContact N-O 3.47Å; E110-L186 PolarHBondContact O-N 2.81Å
111T96.2Very high91.8Very high1 Ų155.6 Ų55.61%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-121.9133.3176.6-540000110.9Y92 T93 Y113 S183 Y184 K185Y92-T111 WeakPolarHBondContact CA-O 3.36Å; Y92-T111 VanDerWaalsContact CD2-O 3.3Å; Y92-T111 WeakPolarHBondContact CD2-O 3.15Å; T93-T111 PolarHBondContact N-O 2.83Å; T93-T111 PolarHBondContact O-N 3.28Å; T111-Y113 HydrophobicContact CG2-CE1 3.83Å; T111-Y113 HydrophobicContact CG2-CE2 3.86Å; T111-Y113 VanDerWaalsContact CG2-CZ 3.44Å; T111-Y113 WeakPolarHBondContact CG2-OH 3.44Å; T111-S183 WeakPolarHBondContact CG2-OG 3.32Å; T111-Y184 VanDerWaalsContact CA-O 3.26Å; T111-Y184 WeakPolarHBondContact CA-O 3.46Å; T111-K185 HydrophobicContact CG2-CG 3.89Å; T111-K185 PolarHBondContact OG1-NZ 3.01Å
112K94.8Very high91.9Very high59 Ų5957 Ų5726%0.25730%0.303SS..EExtended strand (participates in β ladder)trans-130.4158.5169.5-71-179.3178.6-173.60110Y92 I123 F124 Y184Y92-K112 HydrophobicContact CD2-CD 4.5Å; Y92-K112 HydrophobicContact CD2-CG 3.73Å; Y92-K112 HydrophobicContact CE2-CG 4.31Å; K112-I123 HydrophobicContact CB-CD1 3.61Å; K112-I123 HydrophobicContact CB-CG1 4.09Å; K112-I123 HydrophobicContact CD-CD1 4.33Å; K112-I123 HydrophobicContact CD-CG1 3.86Å; K112-I123 WeakPolarHBondContact CD-O 3.25Å; K112-I123 PolarHBondContact NZ-O 3.08Å; K112-F124 HydrophobicContact CB-CE1 4.31Å; K112-F124 HydrophobicContact CB-CZ 4.46Å; K112-F124 HydrophobicContact CD-CD1 4.19Å; K112-F124 HydrophobicContact CD-CE1 4.1Å; K112-F124 HydrophobicContact CG-CE1 3.95Å; K112-Y184 PolarHBondContact N-O 2.68Å; K112-Y184 PolarHBondContact O-N 2.83Å
113Y92.6Very high92.1Very high25 Ų2555.4 Ų55.410%0.09830%0.295CS..EExtended strand (participates in β ladder)trans-129.1137.6-178.7-54.2-82.3000110.5Y17 Q21 Y90 P91 T111 M181 C182 S183Y17-Y113 HydrophobicContact CD1-CD1 4.21Å; Y17-Y113 AromaticContact CD1-CE1 3.95Å; Y17-Y113 HydrophobicContact CD1-CE1 3.95Å; Y17-Y113 AromaticContact CE1-CD1 3.96Å; Y17-Y113 HydrophobicContact CE1-CD1 3.96Å; Y17-Y113 AromaticContact CE1-CE1 3.3Å; Y17-Y113 HydrophobicContact CE1-CE1 3.3Å; Y17-Y113 AromaticContact CE1-CZ 3.86Å; Q21-Y113 PolarHBondContact OE1-OH 3.48Å; Y90-Y113 AromaticContact CD2-CD2 3.96Å; Y90-Y113 HydrophobicContact CD2-CD2 3.96Å; Y90-Y113 AromaticContact CD2-CE2 3.74Å; Y90-Y113 HydrophobicContact CD2-CE2 3.74Å; Y90-Y113 AromaticContact CE2-CD2 3.52Å; Y90-Y113 HydrophobicContact CE2-CD2 3.52Å; Y90-Y113 AromaticContact CE2-CE2 3.61Å; Y90-Y113 HydrophobicContact CE2-CE2 3.61Å; Y90-Y113 HydrophobicContact CE2-CG 4.14Å; P91-Y113 HydrophobicContact CB-CD2 4.11Å; P91-Y113 WeakPolarHBondContact O-CD2 3.36Å; T111-Y113 HydrophobicContact CG2-CE1 3.83Å; T111-Y113 HydrophobicContact CG2-CE2 3.86Å; T111-Y113 VanDerWaalsContact CG2-CZ 3.44Å; T111-Y113 WeakPolarHBondContact CG2-OH 3.44Å; Y113-M181 HydrophobicContact CD1-CE 3.48Å; Y113-M181 VanDerWaalsContact CD1-CE 3.48Å; Y113-M181 HydrophobicContact CE1-CE 4.44Å; Y113-M181 HydrophobicContact CG-CE 3.98Å; Y113-C182 WeakPolarHBondContact CA-O 3.39Å; Y113-S183 WeakPolarHBondContact CE1-OG 3.33Å
114E92.9Very high92.6Very high58 Ų5850.1 Ų50.127%0.27126%0.259SS..EExtended strand (participates in β ladder)trans-141.6154.1174.1-65.9-179.116200111.8N116 N120 I123 M181 C182 Y184E114-N116 WeakPolarHBondContact CB-ND2 3.33Å; E114-N116 PolarHBondContact O-N 2.97Å; E114-N116 PolarHBondContact OE2-ND2 3.26Å; E114-N120 PolarHBondContact OE1-ND2 3.31Å; E114-N120 WeakPolarHBondContact OE2-CB 3.37Å; E114-N120 PolarHBondContact OE2-ND2 2.96Å; E114-N120 VanDerWaalsContact OE2-ND2 3.15Å; E114-I123 VanDerWaalsContact CD-CD1 3.49Å; E114-I123 HydrophobicContact CG-CD1 3.68Å; E114-M181 CarbonylContact O-C 3.52Å; E114-M181 WeakPolarHBondContact O-CA 3.39Å; E114-C182 PolarHBondContact N-O 2.91Å; E114-C182 VanDerWaalsContact N-O 3.13Å; E114-C182 PolarHBondContact O-N 3.33Å; E114-Y184 HydrophobicContact CB-CE2 4.08Å; E114-Y184 HydrophobicContact CG-CE2 4.39Å
115D92.7Very high91.9Very high100 Ų10052.9 Ų52.954%0.53527%0.274SS..SBendtrans-81.967.2175-75.9-18.1000111.7P14P14-D115 WeakPolarHBondContact CD-OD1 3.21Å; P14-D115 WeakPolarHBondContact CD-OD2 3.42Å; P14-D115 VanDerWaalsContact CG-CG 3.47Å; P14-D115 WeakPolarHBondContact CG-OD1 3.47Å; P14-D115 WeakPolarHBondContact CG-OD2 3.41Å
116N92.6Very high90.6Very high30 Ų3053.1 Ų53.116%0.1628%0.276CS..SBendtrans-152.2179.6174.862.541.5000111.5E114 G118 M181 C182 Y184E114-N116 WeakPolarHBondContact CB-ND2 3.33Å; E114-N116 PolarHBondContact O-N 2.97Å; E114-N116 PolarHBondContact OE2-ND2 3.26Å; N116-G118 VanDerWaalsContact C-N 3.28Å; N116-G118 PolarHBondContact O-N 3.33Å; N116-G118 PolarHBondContact OD1-N 3.43Å; N116-G118 VanDerWaalsContact OD1-N 3.07Å; N116-M181 CarbonylContact O-C 3.3Å; N116-M181 VanDerWaalsContact O-C 3.3Å; N116-C182 WeakPolarHBondContact O-CB 3.35Å; N116-C182 PolarHBondContact O-N 2.93Å; N116-Y184 VanDerWaalsContact CG-OH 3.3Å; N116-Y184 PolarHBondContact ND2-OH 2.73Å; N116-Y184 PolarHBondContact OD1-OH 2.74Å
117K92.4Very high88.7Confident68 Ų6860.5 Ų60.530%0.29631%0.306SS..SBendtrans-91.826.6-175.7-58.6-178.3175.6-174.70113.1R174 D175 E178 I180K117-R174 VanDerWaalsContact CD-O 3.24Å; K117-R174 WeakPolarHBondContact CD-O 3.23Å; K117-R174 WeakPolarHBondContact CE-O 3.26Å; K117-R174 PolarHBondContact NZ-O 3.46Å; K117-R174 VanDerWaalsContact NZ-O 3.14Å; K117-D175 PolarHBondContact NZ-O 2.75Å; K117-E178 WeakPolarHBondContact CE-OE1 3.45Å; K117-E178 IonicContact NZ-OE1 3.42Å; K117-E178 PolarHBondContact NZ-OE1 3.35Å; K117-I180 HydrophobicContact CD-CG2 4.42Å; K117-I180 HydrophobicContact CG-CD1 4.14Å; K117-I180 HydrophobicContact CG-CG2 3.71Å
118G92.2Very high86.9Confident2 Ų262 Ų622%0.02131%0.314CS..SBendtrans83.722.3-174.300000113.7K7 N116 C182 Y184K7-G118 WeakPolarHBondContact CD-O 3.19Å; K7-G118 PolarHBondContact NZ-O 3.01Å; N116-G118 VanDerWaalsContact C-N 3.28Å; N116-G118 PolarHBondContact O-N 3.33Å; N116-G118 PolarHBondContact OD1-N 3.43Å; N116-G118 VanDerWaalsContact OD1-N 3.07Å; G118-C182 VanDerWaalsContact CA-SG 3.57Å; G118-Y184 WeakPolarHBondContact CA-OH 3.26Å
119S92.1Very high85Confident90 Ų9066.7 Ų66.763%0.62933%0.334SS*.  trans-82.1-9.5-17455.90000115D121 Y184S119-D121 PolarHBondContact O-N 3.41Å; S119-Y184 PolarHBondContact N-OH 2.96Å; S119-Y184 VanDerWaalsContact N-OH 3.15Å
120N91.5Very high83.1Confident46 Ų4673.9 Ų73.925%0.24637%0.372CS..  trans-88.6105.6179.1-169.5-9.1000110.6K7 E114 N122 I123 Y184K7-N120 PolarHBondContact NZ-O 3.49Å; E114-N120 PolarHBondContact OE1-ND2 3.31Å; E114-N120 WeakPolarHBondContact OE2-CB 3.37Å; E114-N120 PolarHBondContact OE2-ND2 2.96Å; E114-N120 VanDerWaalsContact OE2-ND2 3.15Å; N120-N122 VanDerWaalsContact C-N 3.34Å; N120-N122 PolarHBondContact OD1-N 3.32Å; N120-I123 HydrophobicContact CB-CB 4.31Å; N120-I123 PolarHBondContact OD1-N 2.9Å; N120-Y184 HydrophobicContact CB-CE1 4.27Å; N120-Y184 PolarHBondContact N-OH 2.87Å; N120-Y184 WeakPolarHBondContact O-CE1 3.3Å
121D87.8Confident81.7Confident117 Ų11776 Ų7663%0.62638%0.382SS*.SBendtrans-81.8-13.9177.2-66-35.2000113.2K7 S119K7-D121 IonicContact NZ-OD1 3.75Å; K7-D121 PolarHBondContact NZ-OD1 3.05Å; S119-D121 PolarHBondContact O-N 3.41Å
122N86.8Confident80.4Confident125 Ų12585.1 Ų85.167%0.66843%0.425SS*.  trans-117.119.3-171.1-62.7-67.5000113.4N120 F124N120-N122 VanDerWaalsContact C-N 3.34Å; N120-N122 PolarHBondContact OD1-N 3.32Å; N122-F124 PolarHBondContact O-N 2.88Å
123I90Very high79.8Confident15 Ų1585.2 Ų85.28%0.07742%0.423CS..  trans-61.9-27.6-174.5-164.4176.6000113.8K112 E114 N120 Y184K112-I123 HydrophobicContact CB-CD1 3.61Å; K112-I123 HydrophobicContact CB-CG1 4.09Å; K112-I123 HydrophobicContact CD-CD1 4.33Å; K112-I123 HydrophobicContact CD-CG1 3.86Å; K112-I123 WeakPolarHBondContact CD-O 3.25Å; K112-I123 PolarHBondContact NZ-O 3.08Å; E114-I123 VanDerWaalsContact CD-CD1 3.49Å; E114-I123 HydrophobicContact CG-CD1 3.68Å; N120-I123 HydrophobicContact CB-CB 4.31Å; N120-I123 PolarHBondContact OD1-N 2.9Å; I123-Y184 HydrophobicContact CD1-CD1 4.31Å; I123-Y184 HydrophobicContact CD1-CD2 3.34Å; I123-Y184 HydrophobicContact CD1-CE2 3.79Å; I123-Y184 HydrophobicContact CD1-CG 3.62Å; I123-Y184 HydrophobicContact CG2-CD1 3.76Å; I123-Y184 HydrophobicContact CG2-CE1 4.41Å; I123-Y184 HydrophobicContact CG2-CG 3.85Å
124F87.5Confident79.5Confident16 Ų1689 Ų897%0.0744%0.442CS..SBendtrans-98.5103.2173.6-59.4-76.1000108.8E110 K112 N122 T126 Y184 L186E110-F124 HydrophobicContact CB-CD1 4.02Å; E110-F124 HydrophobicContact CB-CE1 3.66Å; E110-F124 WeakPolarHBondContact O-CZ 3.46Å; K112-F124 HydrophobicContact CB-CE1 4.31Å; K112-F124 HydrophobicContact CB-CZ 4.46Å; K112-F124 HydrophobicContact CD-CD1 4.19Å; K112-F124 HydrophobicContact CD-CE1 4.1Å; K112-F124 HydrophobicContact CG-CE1 3.95Å; N122-F124 PolarHBondContact O-N 2.88Å; F124-T126 PolarHBondContact O-N 2.9Å; F124-T126 PolarHBondContact O-OG1 3.33Å; F124-Y184 WeakPolarHBondContact CZ-O 3.3Å; F124-L186 HydrophobicContact CB-CD2 3.98Å; F124-L186 HydrophobicContact CD1-CB 4.14Å; F124-L186 HydrophobicContact CD1-CD2 4.47Å; F124-L186 HydrophobicContact CD2-CB 3.71Å; F124-L186 HydrophobicContact CD2-CD2 4.37Å; F124-L186 HydrophobicContact CD2-CG 4.5Å; F124-L186 HydrophobicContact CE1-CB 4.11Å; F124-L186 HydrophobicContact CE2-CB 3.66Å; F124-L186 HydrophobicContact CG-CB 3.95Å; F124-L186 HydrophobicContact CG-CD2 4.03Å; F124-L186 HydrophobicContact CZ-CB 3.87Å
125E70.9Confident79.5Confident179 Ų17989.5 Ų89.584%0.83645%0.449SS*.  trans-7262.7173.6-63-179.7-172.100110.5
126T65.6Low79.6Confident23 Ų2385.5 Ų85.514%0.14143%0.429CS..  trans-94.2146.1-174.411.50000112.6F124 L128 K129 R133 L186F124-T126 PolarHBondContact O-N 2.9Å; F124-T126 PolarHBondContact O-OG1 3.33Å; T126-L128 HydrophobicContact CG2-CD1 4.39Å; T126-L128 HydrophobicContact CG2-CG 4.47Å; T126-L128 PolarHBondContact O-N 3.44Å; T126-K129 WeakPolarHBondContact O-CG 3.34Å; T126-K129 PolarHBondContact O-N 2.88Å; T126-R133 PolarHBondContact OG1-NH1 3.49Å; T126-R133 PolarHBondContact OG1-NH2 3.48Å; T126-L186 HydrophobicContact CG2-CD2 4.24Å
127E56Low79.7Confident199 Ų19988.9 Ų88.993%0.9344%0.442SS*.THydrogen-bonded Turntrans-59.8-10.5166.7-61.5-176.6163.300113.1K129E127-K129 PolarHBondContact O-N 2.74Å
128L59.2Low79.9Confident47 Ų4785.7 Ų85.725%0.24643%0.428CS..THydrogen-bonded Turntrans-82.819.2177.6-55.2174.8000113.4T126 D130 Q131 R133T126-L128 HydrophobicContact CG2-CD1 4.39Å; T126-L128 HydrophobicContact CG2-CG 4.47Å; T126-L128 PolarHBondContact O-N 3.44Å; L128-D130 PolarHBondContact O-N 3.04Å; L128-D130 VanDerWaalsContact O-N 3.1Å; L128-Q131 PolarHBondContact O-N 3.33Å; L128-Q131 VanDerWaalsContact O-N 3.09Å; L128-R133 PolarHBondContact O-NE 3.29Å; L128-R133 PolarHBondContact O-NH2 2.99Å
129K58Low80.1Confident153 Ų15386.4 Ų86.467%0.66543%0.432SS*.THydrogen-bonded Turntrans-54.6-28.7-176.7-89.3176.6-177.5-178.90113.2T126 E127T126-K129 WeakPolarHBondContact O-CG 3.34Å; T126-K129 PolarHBondContact O-N 2.88Å; E127-K129 PolarHBondContact O-N 2.74Å
130D57.8Low80.3Confident165 Ų16582.1 Ų82.188%0.88240%0.402SS*.THydrogen-bonded Turntrans-92.4-0.1-177-57.9-33000114.1L128L128-D130 PolarHBondContact O-N 3.04Å; L128-D130 VanDerWaalsContact O-N 3.1Å
131Q67.3Low80.6Confident77 Ų7780 Ų8036%0.3639%0.391SS..SBendtrans-87.6133.9172.9-73.9179.812.500110.3M1 L128 R133M1-Q131 VanDerWaalsContact CE-NE2 3.31Å; L128-Q131 PolarHBondContact O-N 3.33Å; L128-Q131 VanDerWaalsContact O-N 3.09Å; Q131-R133 WeakPolarHBondContact O-CG 3.14Å; Q131-R133 PolarHBondContact O-N 2.93Å
132E69Low81Confident194 Ų19477.8 Ų77.891%0.90737%0.374SS*.  trans-62.7118.5170.2-167.2173.6-162.500108.7
133R80.3Confident81.5Confident60 Ų6073.5 Ų73.523%0.22635%0.352CS..  trans-114.9128.9179.5-53178.5-1521773.4108.4V3 T126 L128 Q131V3-R133 HydrophobicContact CB-CG 4.42Å; V3-R133 HydrophobicContact CG1-CG 3.99Å; T126-R133 PolarHBondContact OG1-NH1 3.49Å; T126-R133 PolarHBondContact OG1-NH2 3.48Å; L128-R133 PolarHBondContact O-NE 3.29Å; L128-R133 PolarHBondContact O-NH2 2.99Å; Q131-R133 WeakPolarHBondContact O-CG 3.14Å; Q131-R133 PolarHBondContact O-N 2.93Å
134E87.9Confident81.7Confident104 Ų10481.4 Ų81.449%0.48639%0.388SS..EExtended strand (participates in β ladder)trans-74.9128170.6-173.2176.4151.100109.6Y2 V3 A4 A5Y2-E134 PolarHBondContact OH-OE2 3.42Å; V3-E134 PolarHBondContact O-N 3Å; A4-E134 CarbonylContact C-O 3.56Å; A4-E134 VanDerWaalsContact CA-O 3.24Å; A4-E134 WeakPolarHBondContact CA-O 3.33Å; A4-E134 HydrophobicContact CB-CB 4.29Å; A5-E134 PolarHBondContact N-O 3.33Å
135V92.1Very high82Confident69 Ų6981.7 Ų81.742%0.41839%0.39SS..EExtended strand (participates in β ladder)trans-100.1118.5173.8-178.80000108.6A5 K7 F137A5-V135 HydrophobicContact CB-CG2 4.48Å; A5-V135 WeakPolarHBondContact O-CA 3.41Å; K7-V135 HydrophobicContact CD-CG1 4.33Å; K7-V135 HydrophobicContact CG-CG1 4.45Å; V135-F137 HydrophobicContact CG1-CD2 4.24Å; V135-F137 HydrophobicContact CG1-CE2 3.77Å; V135-F137 HydrophobicContact CG1-CZ 4.35Å
136C94.5Very high82.9Confident17 Ų1774.7 Ų74.712%0.11536%0.36CS..EExtended strand (participates in β ladder)trans-113.8112.5179.2179.40000110.3A5 Y6 K7 R209A5-C136 PolarHBondContact O-N 2.99Å; Y6-C136 WeakPolarHBondContact CA-O 3.09Å; Y6-C136 HydrophobicContact CD1-CB 3.67Å; Y6-C136 HydrophobicContact CE1-CB 3.89Å; K7-C136 PolarHBondContact N-O 3.42Å; C136-R209 PolarHBondContact SG-NE 2.94Å
137F95.6Very high84.1Confident101 Ų10181 Ų8144%0.44339%0.388SS..EExtended strand (participates in β ladder)trans-80.9121.9166.6-67.6-95.1000108.7K7 V135K7-F137 HydrophobicContact CB-CD1 4Å; K7-F137 HydrophobicContact CB-CE1 4.23Å; K7-F137 HydrophobicContact CD-CD1 4.25Å; K7-F137 HydrophobicContact CD-CE1 3.64Å; K7-F137 HydrophobicContact CD-CZ 3.84Å; K7-F137 HydrophobicContact CG-CE1 4.45Å; V135-F137 HydrophobicContact CG1-CD2 4.24Å; V135-F137 HydrophobicContact CG1-CE2 3.77Å; V135-F137 HydrophobicContact CG1-CZ 4.35Å
138V96.7Very high85.7Confident0 Ų080 Ų800%038%0.375CS..EExtended strand (participates in β ladder)trans-97.4126.8179.8-178.80000109Y6 K7 L8 D143 R174 R209 L213Y6-V138 HydrophobicContact CD1-CG2 4.1Å; K7-V138 PolarHBondContact O-N 3.41Å; L8-V138 HydrophobicContact CD2-CB 3.79Å; L8-V138 HydrophobicContact CD2-CG1 3.81Å; L8-V138 HydrophobicContact CD2-CG2 4.13Å; L8-V138 HydrophobicContact CG-CB 3.97Å; L8-V138 HydrophobicContact CG-CG2 4.19Å; V138-D143 WeakPolarHBondContact CA-OD2 3.38Å; V138-R174 VanDerWaalsContact C-NH2 3.28Å; V138-R174 PolarHBondContact O-NH2 2.76Å; V138-R209 HydrophobicContact CG2-CG 4.47Å; V138-L213 HydrophobicContact CG1-CB 3.8Å; V138-L213 HydrophobicContact CG1-CD1 3.67Å; V138-L213 HydrophobicContact CG1-CG 4.27Å
139D96.3Very high87.3Confident17 Ų1779.9 Ų79.99%0.09137%0.372CS..  trans-99.5101.2176.4-158.2-42.4000112A141 Y142 D143 W173 R174 L213D139-A141 PolarHBondContact O-N 2.91Å; D139-A141 PolarHBondContact OD1-N 3.27Å; D139-Y142 PolarHBondContact O-N 2.95Å; D139-Y142 PolarHBondContact OD1-N 3.42Å; D139-Y142 VanDerWaalsContact OD1-N 3.07Å; D139-D143 HydrophobicContact CB-CB 4.34Å; D139-D143 VanDerWaalsContact N-CG 3.35Å; D139-D143 PolarHBondContact N-OD2 2.92Å; D139-D143 VanDerWaalsContact O-CB 3.26Å; D139-D143 WeakPolarHBondContact O-CB 3.38Å; D139-D143 PolarHBondContact O-N 3.37Å; D139-W173 PolarHBondContact OD1-NE1 3.24Å; D139-R174 VanDerWaalsContact CG-NH2 3.34Å; D139-R174 IonicContact OD2-CZ 2.82Å; D139-R174 IonicContact OD2-NH1 2.79Å; D139-R174 PolarHBondContact OD2-NH1 2.88Å; D139-R174 IonicContact OD2-NH2 2.92Å; D139-R174 PolarHBondContact OD2-NH2 2.69Å; D139-L213 VanDerWaalsContact O-CD1 3.28Å; D139-L213 WeakPolarHBondContact O-CD1 3.5Å
140I96.3Very high89Confident0 Ų076.5 Ų76.50%036%0.356CS..THydrogen-bonded Turntrans-61.8-17.1179.862.1168.5000113.4L156 W173 H216 R217 F220I140-L156 HydrophobicContact CB-CD1 4.03Å; I140-L156 HydrophobicContact CD1-CD1 3.69Å; I140-L156 HydrophobicContact CG1-CD1 3.8Å; I140-W173 HydrophobicContact CD1-CH2 3.98Å; I140-W173 HydrophobicContact CD1-CZ2 4.14Å; I140-W173 HydrophobicContact CG1-CH2 3.95Å; I140-W173 HydrophobicContact CG1-CZ2 3.59Å; I140-H216 HydrophobicContact CG2-CB 3.65Å; I140-R217 VanDerWaalsContact O-CZ 3.28Å; I140-R217 PolarHBondContact O-NE 2.81Å; I140-R217 PolarHBondContact O-NH2 3.46Å; I140-F220 HydrophobicContact CD1-CB 4.49Å
141A96.8Very high90.9Very high3 Ų372 Ų723%0.02533%0.328CS..THydrogen-bonded Turntrans-100-43.4177.500000112.8D139 L156 L169D139-A141 PolarHBondContact O-N 2.91Å; D139-A141 PolarHBondContact OD1-N 3.27Å; A141-L156 HydrophobicContact CB-CB 4.16Å; A141-L169 HydrophobicContact CB-CB 3.89Å; A141-L169 HydrophobicContact CB-CD1 4.1Å
142Y96.8Very high92.3Very high69 Ų6975.6 Ų75.627%0.27135%0.345SS..THydrogen-bonded Turntrans-109.3-16-167.8-70.7-89000115.4D139 E144 R157 L169 Q170 E171D139-Y142 PolarHBondContact O-N 2.95Å; D139-Y142 PolarHBondContact OD1-N 3.42Å; D139-Y142 VanDerWaalsContact OD1-N 3.07Å; Y142-E144 PolarHBondContact O-N 2.87Å; Y142-R157 HydrophobicContact CE1-CG 4.14Å; Y142-R157 HydrophobicContact CE2-CG 4.35Å; Y142-L169 PolarHBondContact OH-O 3.21Å; Y142-Q170 WeakPolarHBondContact CE2-O 3.32Å; Y142-Q170 VanDerWaalsContact OH-C 3.25Å; Y142-Q170 VanDerWaalsContact OH-CA 3.3Å; Y142-Q170 WeakPolarHBondContact OH-CA 3.36Å; Y142-E171 HydrophobicContact CD1-CG 4.05Å; Y142-E171 HydrophobicContact CE1-CG 3.53Å; Y142-E171 HydrophobicContact CE2-CG 4.22Å; Y142-E171 PolarHBondContact OH-N 2.96Å; Y142-E171 VanDerWaalsContact OH-N 3.14Å
143D97Very high93.6Very high36 Ų3670.5 Ų70.519%0.19333%0.331CS..SBendtrans-68.9137.7173.7-73.6-15.1000110.4V138 D139 R209 L213 R217V138-D143 WeakPolarHBondContact CA-OD2 3.38Å; D139-D143 HydrophobicContact CB-CB 4.34Å; D139-D143 VanDerWaalsContact N-CG 3.35Å; D139-D143 PolarHBondContact N-OD2 2.92Å; D139-D143 VanDerWaalsContact O-CB 3.26Å; D139-D143 WeakPolarHBondContact O-CB 3.38Å; D139-D143 PolarHBondContact O-N 3.37Å; D143-R209 VanDerWaalsContact CG-NH2 3.33Å; D143-R209 IonicContact OD1-NH2 2.76Å; D143-R209 IonicContact OD2-CZ 3.33Å; D143-R209 IonicContact OD2-NH1 3.66Å; D143-R209 IonicContact OD2-NH2 2.93Å; D143-R209 PolarHBondContact OD2-NH2 2.82Å; D143-L213 HydrophobicContact CB-CD1 3.91Å; D143-L213 HydrophobicContact CB-CD2 3.5Å; D143-L213 VanDerWaalsContact CB-CD2 3.5Å; D143-L213 HydrophobicContact CB-CG 4.36Å; D143-R217 PolarHBondContact O-NH2 3.22Å
144E94.8Very high94.4Very high180 Ų18068 Ų6884%0.84132%0.322SS*.  trans-65134.9177.4-65.1-176.417500111.1Y142 L213Y142-E144 PolarHBondContact O-N 2.87Å; E144-L213 WeakPolarHBondContact O-CD2 3.41Å
145I93.6Very high94.9Very high23 Ų2363.2 Ų63.212%0.11830%0.299CS..  trans-106.6153.2165.656.8173.9000109.2E147 Y150 L213 L214 R217I145-E147 PolarHBondContact O-N 3Å; I145-Y150 HydrophobicContact CD1-CD2 4.23Å; I145-L213 HydrophobicContact CG2-CD2 3.58Å; I145-L213 HydrophobicContact CG2-CG 3.73Å; I145-L214 HydrophobicContact CD1-CD1 4.36Å; I145-R217 VanDerWaalsContact CD1-NH1 3.27Å
146P89.8Confident95.1Very high31 Ų3159.9 Ų59.920%0.20128%0.28CS..  trans-55130.7172-23.532000111.1R148 Y149P146-R148 HydrophobicContact CB-CG 4.3Å; P146-R148 PolarHBondContact O-N 2.78Å; P146-Y149 HydrophobicContact CB-CD2 3.75Å; P146-Y149 HydrophobicContact CB-CE2 4.13Å; P146-Y149 HydrophobicContact CG-CD2 3.86Å; P146-Y149 HydrophobicContact CG-CE2 4.1Å; P146-Y149 PolarHBondContact O-N 2.82Å
147E91.2Very high95.2Very high155 Ų15563.3 Ų63.372%0.72429%0.29SS*.G310 helixtrans-47.9-38.6-175.3-173.161.6-158.200113.9I145 Y149 Y150I145-E147 PolarHBondContact O-N 3Å; E147-Y149 PolarHBondContact O-N 2.96Å; E147-Y150 WeakPolarHBondContact O-CB 3.44Å; E147-Y150 PolarHBondContact O-N 3.09Å
148R89.3Confident95.3Very high178 Ų17865.5 Ų65.567%0.67230%0.296SS*.G310 helixtrans-60.2-16.917868.9177.9-178.9-86.1-2.2114.8P146P146-R148 HydrophobicContact CB-CG 4.3Å; P146-R148 PolarHBondContact O-N 2.78Å
149Y91.7Very high95.3Very high45 Ų4567 Ų6718%0.17630%0.303CS..G310 helixtrans-106.4-4.2177.6-57.6-53.8000112.6P146 E147 K151 L214P146-Y149 HydrophobicContact CB-CD2 3.75Å; P146-Y149 HydrophobicContact CB-CE2 4.13Å; P146-Y149 HydrophobicContact CG-CD2 3.86Å; P146-Y149 HydrophobicContact CG-CE2 4.1Å; P146-Y149 PolarHBondContact O-N 2.82Å; E147-Y149 PolarHBondContact O-N 2.96Å; Y149-K151 PolarHBondContact O-N 3.24Å; Y149-L214 HydrophobicContact CD1-CD2 4.17Å; Y149-L214 HydrophobicContact CD2-CD2 4.18Å; Y149-L214 HydrophobicContact CG-CD2 3.84Å
150Y95.4Very high95.3Very high82 Ų8271.6 Ų71.632%0.32232%0.324SS..  trans-69.9131.4179-177.8-98.2000110.8I145 E147 D155I145-Y150 HydrophobicContact CD1-CD2 4.23Å; E147-Y150 WeakPolarHBondContact O-CB 3.44Å; E147-Y150 PolarHBondContact O-N 3.09Å; Y150-D155 HydrophobicContact CE2-CB 4.07Å; Y150-D155 WeakPolarHBondContact CE2-OD2 3.33Å; Y150-D155 PolarHBondContact OH-OD2 3.39Å
151K96.4Very high95.3Very high71 Ų7171.6 Ų71.631%0.30932%0.324SS..  trans-133129168.8-52.4-170.7-152154.80107.7E31 Y149 S153 E154 D155E31-K151 IonicContact OE1-NZ 3.48Å; E31-K151 PolarHBondContact OE1-NZ 3.01Å; E31-K151 IonicContact OE2-NZ 2.69Å; E31-K151 PolarHBondContact OE2-NZ 3.09Å; Y149-K151 PolarHBondContact O-N 3.24Å; K151-S153 PolarHBondContact O-N 2.81Å; K151-E154 HydrophobicContact CB-CB 4.24Å; K151-E154 HydrophobicContact CB-CG 4.12Å; K151-E154 HydrophobicContact CD-CG 4.42Å; K151-E154 WeakPolarHBondContact CD-OE1 3.45Å; K151-E154 WeakPolarHBondContact CE-OE1 3.36Å; K151-E154 IonicContact NZ-OE1 3.95Å; K151-E154 PolarHBondContact NZ-OE1 2.81Å; K151-E154 IonicContact NZ-OE2 3.71Å; K151-E154 PolarHBondContact O-N 2.84Å; K151-D155 PolarHBondContact O-N 3.31Å
152E96.8Very high95.4Very high153 Ų15378.9 Ų78.972%0.71536%0.357SS*.G310 helixtrans-56.8-38.1179-175.4179.1-174.500111.8E154 D155E152-E154 PolarHBondContact O-N 2.98Å; E152-D155 WeakPolarHBondContact O-CB 3.47Å; E152-D155 PolarHBondContact O-N 3.15Å; E152-D155 VanDerWaalsContact O-N 3.17Å
153S96.4Very high95.3Very high86 Ų8680.8 Ų80.860%0.60137%0.367SS*.G310 helixtrans-65.5-16.2176.460.50000114.4K151K151-S153 PolarHBondContact O-N 2.81Å
154E97.1Very high95.1Very high8 Ų880.7 Ų80.74%0.03737%0.368CS..G310 helixtrans-107.96.5179.9-60.9175.6-175.300111.9K151 E152 L156 R217 Q218 A221 W222K151-E154 HydrophobicContact CB-CB 4.24Å; K151-E154 HydrophobicContact CB-CG 4.12Å; K151-E154 HydrophobicContact CD-CG 4.42Å; K151-E154 WeakPolarHBondContact CD-OE1 3.45Å; K151-E154 WeakPolarHBondContact CE-OE1 3.36Å; K151-E154 IonicContact NZ-OE1 3.95Å; K151-E154 PolarHBondContact NZ-OE1 2.81Å; K151-E154 IonicContact NZ-OE2 3.71Å; K151-E154 PolarHBondContact O-N 2.84Å; E152-E154 PolarHBondContact O-N 2.98Å; E154-L156 PolarHBondContact O-N 3.26Å; E154-R217 WeakPolarHBondContact O-CD 3.24Å; E154-R217 VanDerWaalsContact O-CG 3.27Å; E154-R217 WeakPolarHBondContact O-CG 3.34Å; E154-Q218 WeakPolarHBondContact OE2-CG 3.5Å; E154-Q218 PolarHBondContact OE2-NE2 3.17Å; E154-A221 HydrophobicContact CB-CB 4Å; E154-A221 HydrophobicContact CG-CB 4.09Å; E154-W222 PolarHBondContact OE1-NE1 2.83Å
155D97.4Very high95.1Very high3 Ų378.9 Ų78.92%0.01636%0.357CS..  trans-82.1107.4178.3-167.9-24.5000110.9Y150 K151 E152 R157 Y158 F159Y150-D155 HydrophobicContact CE2-CB 4.07Å; Y150-D155 WeakPolarHBondContact CE2-OD2 3.33Å; Y150-D155 PolarHBondContact OH-OD2 3.39Å; K151-D155 PolarHBondContact O-N 3.31Å; E152-D155 WeakPolarHBondContact O-CB 3.47Å; E152-D155 PolarHBondContact O-N 3.15Å; E152-D155 VanDerWaalsContact O-N 3.17Å; D155-R157 PolarHBondContact O-N 3.08Å; D155-R157 VanDerWaalsContact O-N 3.1Å; D155-R157 VanDerWaalsContact OD1-CB 3.27Å; D155-R157 WeakPolarHBondContact OD1-CB 3.38Å; D155-R157 WeakPolarHBondContact OD1-CG 3.44Å; D155-R157 IonicContact OD1-CZ 3.32Å; D155-R157 PolarHBondContact OD1-N 3.48Å; D155-R157 IonicContact OD1-NE 2.63Å; D155-R157 PolarHBondContact OD1-NE 3.32Å; D155-R157 IonicContact OD1-NH2 3.79Å; D155-R157 IonicContact OD2-CZ 3.3Å; D155-R157 IonicContact OD2-NE 2.71Å; D155-R157 PolarHBondContact OD2-NE 3.34Å; D155-R157 IonicContact OD2-NH2 3.42Å; D155-R157 PolarHBondContact OD2-NH2 2.74Å; D155-Y158 HydrophobicContact CB-CD2 3.99Å; D155-Y158 PolarHBondContact O-N 2.91Å; D155-Y158 WeakPolarHBondContact OD2-CE2 3.5Å; D155-F159 WeakPolarHBondContact O-CB 3.42Å; D155-F159 PolarHBondContact O-N 2.82Å
156L97.4Very high95.1Very high0 Ų079.8 Ų79.80%036%0.359CS..THydrogen-bonded Turntrans-69.6-10.7-174.3-49.2-172000113.9I140 A141 E154 Y158 F159 L169 R217 F220 A221I140-L156 HydrophobicContact CB-CD1 4.03Å; I140-L156 HydrophobicContact CD1-CD1 3.69Å; I140-L156 HydrophobicContact CG1-CD1 3.8Å; A141-L156 HydrophobicContact CB-CB 4.16Å; E154-L156 PolarHBondContact O-N 3.26Å; L156-Y158 PolarHBondContact O-N 3.32Å; L156-F159 HydrophobicContact CD2-CB 4.32Å; L156-F159 HydrophobicContact CD2-CD1 4.27Å; L156-L169 HydrophobicContact CB-CB 4.45Å; L156-L169 HydrophobicContact CB-CD1 3.82Å; L156-L169 HydrophobicContact CB-CG 4.1Å; L156-L169 HydrophobicContact CD1-CD1 3.98Å; L156-L169 WeakPolarHBondContact O-CB 3.35Å; L156-L169 PolarHBondContact O-N 3Å; L156-R217 HydrophobicContact CD1-CG 4.25Å; L156-R217 HydrophobicContact CD2-CG 4.33Å; L156-R217 HydrophobicContact CG-CG 4.02Å; L156-F220 HydrophobicContact CD1-CB 4.08Å; L156-F220 HydrophobicContact CD1-CD1 3.78Å; L156-F220 HydrophobicContact CD1-CG 4.35Å; L156-F220 HydrophobicContact CD2-CB 4.43Å; L156-F220 HydrophobicContact CD2-CD1 3.69Å; L156-F220 HydrophobicContact CG-CD1 4.18Å; L156-A221 HydrophobicContact CD2-CB 3.92Å
157R97.1Very high95.2Very high88 Ų8878.8 Ų78.833%0.33235%0.354SS..THydrogen-bonded Turntrans-78.3-6.2171.6-53.3172.7-62.31721.6112.7Y142 D155 I168Y142-R157 HydrophobicContact CE1-CG 4.14Å; Y142-R157 HydrophobicContact CE2-CG 4.35Å; D155-R157 PolarHBondContact O-N 3.08Å; D155-R157 VanDerWaalsContact O-N 3.1Å; D155-R157 VanDerWaalsContact OD1-CB 3.27Å; D155-R157 WeakPolarHBondContact OD1-CB 3.38Å; D155-R157 WeakPolarHBondContact OD1-CG 3.44Å; D155-R157 IonicContact OD1-CZ 3.32Å; D155-R157 PolarHBondContact OD1-N 3.48Å; D155-R157 IonicContact OD1-NE 2.63Å; D155-R157 PolarHBondContact OD1-NE 3.32Å; D155-R157 IonicContact OD1-NH2 3.79Å; D155-R157 IonicContact OD2-CZ 3.3Å; D155-R157 IonicContact OD2-NE 2.71Å; D155-R157 PolarHBondContact OD2-NE 3.34Å; D155-R157 IonicContact OD2-NH2 3.42Å; D155-R157 PolarHBondContact OD2-NH2 2.74Å; R157-I168 WeakPolarHBondContact O-CG2 3.11Å
158Y97.3Very high95.4Very high148 Ų14874.6 Ų74.658%0.5834%0.336SS*.THydrogen-bonded Turntrans-133.9-21.1176.1-53.9-66.3000112.9D155 L156D155-Y158 HydrophobicContact CB-CD2 3.99Å; D155-Y158 PolarHBondContact O-N 2.91Å; D155-Y158 WeakPolarHBondContact OD2-CE2 3.5Å; L156-Y158 PolarHBondContact O-N 3.32Å
159F97.5Very high95.8Very high32 Ų3266.1 Ų66.114%0.1431%0.305CS..  trans-70.6131.8177.8176.1-96.7000112.1D155 L156 F220 A221 V223D155-F159 WeakPolarHBondContact O-CB 3.42Å; D155-F159 PolarHBondContact O-N 2.82Å; L156-F159 HydrophobicContact CD2-CB 4.32Å; L156-F159 HydrophobicContact CD2-CD1 4.27Å; F159-F220 HydrophobicContact CD1-CD1 4.12Å; F159-F220 AromaticContact CD1-CE1 3.93Å; F159-F220 HydrophobicContact CD1-CE1 3.93Å; F159-F220 HydrophobicContact CE1-CD1 4.3Å; F159-F220 HydrophobicContact CE1-CE1 4.15Å; F159-F220 WeakPolarHBondContact CE1-O 3.29Å; F159-A221 WeakPolarHBondContact CE2-O 3.41Å; F159-A221 WeakPolarHBondContact CZ-O 3.49Å; F159-V223 HydrophobicContact CE1-CG1 3.92Å; F159-V223 HydrophobicContact CZ-CG1 3.92Å
160Q96.3Very high96Very high112 Ų11269.6 Ų69.652%0.52332%0.322SS..  trans-130.4129.2166.3177.217368.300108.7R166 G167 I168Q160-R166 WeakPolarHBondContact CA-O 3.34Å; Q160-G167 PolarHBondContact NE2-O 3.45Å; Q160-I168 HydrophobicContact CB-CG1 4.19Å
161S96.3Very high96Very high1 Ų173.3 Ų73.31%0.00734%0.343CS..  trans-67.7130.1177.3161.50000111.1K163 T164 K165 R166 D224S161-K163 PolarHBondContact OG-N 3.2Å; S161-T164 WeakPolarHBondContact CB-OG1 3.43Å; S161-T164 WeakPolarHBondContact OG-CB 3.27Å; S161-T164 PolarHBondContact OG-N 3.14Å; S161-T164 PolarHBondContact OG-OG1 3.03Å; S161-K165 WeakPolarHBondContact O-CA 3.27Å; S161-K165 PolarHBondContact O-N 3.02Å; S161-R166 PolarHBondContact N-O 3.45Å; S161-D224 WeakPolarHBondContact CA-OD2 3.39Å; S161-D224 WeakPolarHBondContact CB-OD1 3.4Å; S161-D224 PolarHBondContact OG-OD1 3.41Å
162E97.1Very high95.8Very high155 Ų15571.9 Ų71.972%0.72435%0.348SS*.THydrogen-bonded Turntrans-71.4-34.6176.2-67.6-170.5173.900111.8K165 D224E162-K165 WeakPolarHBondContact O-CD 3.41Å; E162-K165 WeakPolarHBondContact O-CE 3.38Å; E162-K165 PolarHBondContact O-NZ 3.32Å; E162-D224 PolarHBondContact N-OD1 2.82Å; E162-D224 PolarHBondContact N-OD2 3.19Å
163K95.8Very high95.7Very high109 Ų10964.6 Ų64.647%0.47431%0.314SS..THydrogen-bonded Turntrans-82.3-43.2-176.5-63.7-175.1172-177.50112.9S161 D224 I227 D228S161-K163 PolarHBondContact OG-N 3.2Å; K163-D224 WeakPolarHBondContact CB-OD1 3.46Å; K163-D224 HydrophobicContact CD-CB 4.25Å; K163-D224 WeakPolarHBondContact CD-O 3.35Å; K163-D224 WeakPolarHBondContact CE-O 3.44Å; K163-D224 HydrophobicContact CG-CB 4.28Å; K163-D224 PolarHBondContact N-OD1 2.88Å; K163-D224 PolarHBondContact NZ-O 2.98Å; K163-I227 HydrophobicContact CB-CG2 4.18Å; K163-I227 HydrophobicContact CD-CG2 3.71Å; K163-D228 WeakPolarHBondContact CD-OD2 3.35Å; K163-D228 VanDerWaalsContact CE-OD2 3.28Å; K163-D228 WeakPolarHBondContact CE-OD2 3.29Å; K163-D228 IonicContact NZ-OD2 3.96Å; K163-D228 PolarHBondContact NZ-OD2 2.65Å
164T93.3Very high95.6Very high34 Ų3462.9 Ų62.921%0.20929%0.294CS..THydrogen-bonded Turntrans-97.3-14.9-175.171.70000113.5S161 R166 V223 I227S161-T164 WeakPolarHBondContact CB-OG1 3.43Å; S161-T164 WeakPolarHBondContact OG-CB 3.27Å; S161-T164 PolarHBondContact OG-N 3.14Å; S161-T164 PolarHBondContact OG-OG1 3.03Å; T164-R166 PolarHBondContact O-N 3.46Å; T164-R166 VanDerWaalsContact O-N 3.11Å; T164-R166 WeakPolarHBondContact OG1-CB 3.17Å; T164-R166 WeakPolarHBondContact OG1-CG 3.47Å; T164-R166 PolarHBondContact OG1-N 3.29Å; T164-V223 HydrophobicContact CG2-CG2 4.12Å; T164-I227 HydrophobicContact CG2-CG1 3.89Å; T164-I227 HydrophobicContact CG2-CG2 4.43Å
165K94.4Very high95.3Very high143 Ų14368.4 Ų68.462%0.62232%0.324SS*.  trans59.710.7-171.6-50.7-53.7-174.5-166.40114.5S161 E162S161-K165 WeakPolarHBondContact O-CA 3.27Å; S161-K165 PolarHBondContact O-N 3.02Å; E162-K165 WeakPolarHBondContact O-CD 3.41Å; E162-K165 WeakPolarHBondContact O-CE 3.38Å; E162-K165 PolarHBondContact O-NZ 3.32Å
166R93.3Very high94.9Very high41 Ų4173 Ų7316%0.15535%0.352CS..  trans-76.9153.4175.9-61.2177.8-166.3164.87.8110.8L11 Q160 S161 T164 P179 F220L11-R166 PolarHBondContact O-NH1 2.71Å; Q160-R166 WeakPolarHBondContact CA-O 3.34Å; S161-R166 PolarHBondContact N-O 3.45Å; T164-R166 PolarHBondContact O-N 3.46Å; T164-R166 VanDerWaalsContact O-N 3.11Å; T164-R166 WeakPolarHBondContact OG1-CB 3.17Å; T164-R166 WeakPolarHBondContact OG1-CG 3.47Å; T164-R166 PolarHBondContact OG1-N 3.29Å; R166-P179 VanDerWaalsContact CZ-CD 3.45Å; R166-F220 HydrophobicContact CB-CE2 3.98Å; R166-F220 HydrophobicContact CB-CZ 3.76Å
167G92.4Very high94.4Very high10 Ų1075.3 Ų75.310%0.10336%0.363CS..  trans80.1164.6-163.700000110.5Q160Q160-G167 PolarHBondContact NE2-O 3.45Å
168I95.9Very high94Very high68 Ų6876.9 Ų76.935%0.34937%0.374SS..  cis-76.1144.43.3-64.9174.9000112R157 Q160R157-I168 WeakPolarHBondContact O-CG2 3.11Å; Q160-I168 HydrophobicContact CB-CG1 4.19Å
169L96.1Very high93.7Very high0 Ų070.4 Ų70.40%035%0.35CS..  trans-87.4113.1-178.3-53.2-168.3000112.8L11 A141 Y142 L156 W173 Q177 F220L11-L169 HydrophobicContact CD1-CD1 4.02Å; L11-L169 HydrophobicContact CD1-CD2 3.36Å; L11-L169 HydrophobicContact CD1-CG 4.33Å; A141-L169 HydrophobicContact CB-CB 3.89Å; A141-L169 HydrophobicContact CB-CD1 4.1Å; Y142-L169 PolarHBondContact OH-O 3.21Å; L156-L169 HydrophobicContact CB-CB 4.45Å; L156-L169 HydrophobicContact CB-CD1 3.82Å; L156-L169 HydrophobicContact CB-CG 4.1Å; L156-L169 HydrophobicContact CD1-CD1 3.98Å; L156-L169 WeakPolarHBondContact O-CB 3.35Å; L156-L169 PolarHBondContact O-N 3Å; L169-W173 HydrophobicContact CB-CB 4.17Å; L169-W173 HydrophobicContact CB-CG 4.11Å; L169-W173 HydrophobicContact CD1-CD2 4.09Å; L169-W173 HydrophobicContact CD1-CE3 4.36Å; L169-W173 HydrophobicContact CD1-CG 4.38Å; L169-W173 HydrophobicContact CD2-CB 4.41Å; L169-Q177 HydrophobicContact CD2-CG 4.26Å; L169-F220 HydrophobicContact CD1-CD1 4.37Å; L169-F220 HydrophobicContact CD1-CE1 4.24Å; L169-F220 HydrophobicContact CD2-CE1 4.36Å; L169-F220 HydrophobicContact CG-CE1 4.31Å
170Q95.9Very high93.4Very high117 Ų11769.4 Ų69.455%0.54735%0.346SS..  trans-90166.5175.7-59.8-58.1-4000111.8Y142 G172 W173Y142-Q170 WeakPolarHBondContact CE2-O 3.32Å; Y142-Q170 VanDerWaalsContact OH-C 3.25Å; Y142-Q170 VanDerWaalsContact OH-CA 3.3Å; Y142-Q170 WeakPolarHBondContact OH-CA 3.36Å; Q170-G172 PolarHBondContact O-N 3.29Å; Q170-W173 WeakPolarHBondContact O-CB 3.29Å; Q170-W173 PolarHBondContact O-N 3.09Å
171E95.8Very high93.3Very high161 Ų16164 Ų6475%0.75232%0.321SS*.THydrogen-bonded Turntrans-55.7137.3171.4-71-176.8-174.900110.3Y142 W173Y142-E171 HydrophobicContact CD1-CG 4.05Å; Y142-E171 HydrophobicContact CE1-CG 3.53Å; Y142-E171 HydrophobicContact CE2-CG 4.22Å; Y142-E171 PolarHBondContact OH-N 2.96Å; Y142-E171 VanDerWaalsContact OH-N 3.14Å; E171-W173 VanDerWaalsContact C-N 3.3Å; E171-W173 PolarHBondContact O-N 3.47Å
172G93.2Very high93.2Very high40 Ų4064 Ų6441%0.41232%0.321SS..THydrogen-bonded Turntrans7414.8-173.400000114.9Q170 R174 D175Q170-G172 PolarHBondContact O-N 3.29Å; G172-R174 PolarHBondContact O-N 3Å; G172-D175 PolarHBondContact O-N 3.27Å
173W94.5Very high93.1Very high0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-51.9-31.9-179.766.3-90000114T9 L11 D139 I140 L169 Q170 E171 D175 T176 Q177 I180T9-W173 WeakPolarHBondContact O-CH2 3.34Å; T9-W173 WeakPolarHBondContact OG1-CH2 3.5Å; L11-W173 HydrophobicContact CD1-CE3 4.23Å; L11-W173 HydrophobicContact CD1-CZ3 4.23Å; L11-W173 HydrophobicContact CD2-CE3 3.79Å; L11-W173 HydrophobicContact CD2-CZ3 3.48Å; L11-W173 VanDerWaalsContact CD2-CZ3 3.48Å; L11-W173 HydrophobicContact CG-CE3 4.12Å; L11-W173 HydrophobicContact CG-CZ3 3.67Å; D139-W173 PolarHBondContact OD1-NE1 3.24Å; I140-W173 HydrophobicContact CD1-CH2 3.98Å; I140-W173 HydrophobicContact CD1-CZ2 4.14Å; I140-W173 HydrophobicContact CG1-CH2 3.95Å; I140-W173 HydrophobicContact CG1-CZ2 3.59Å; L169-W173 HydrophobicContact CB-CB 4.17Å; L169-W173 HydrophobicContact CB-CG 4.11Å; L169-W173 HydrophobicContact CD1-CD2 4.09Å; L169-W173 HydrophobicContact CD1-CE3 4.36Å; L169-W173 HydrophobicContact CD1-CG 4.38Å; L169-W173 HydrophobicContact CD2-CB 4.41Å; Q170-W173 WeakPolarHBondContact O-CB 3.29Å; Q170-W173 PolarHBondContact O-N 3.09Å; E171-W173 VanDerWaalsContact C-N 3.3Å; E171-W173 PolarHBondContact O-N 3.47Å; W173-D175 PolarHBondContact O-N 3.32Å; W173-D175 VanDerWaalsContact O-N 3.13Å; W173-T176 WeakPolarHBondContact CA-OG1 3.42Å; W173-T176 PolarHBondContact O-N 3.5Å; W173-T176 VanDerWaalsContact O-N 3.09Å; W173-T176 PolarHBondContact O-OG1 3Å; W173-Q177 HydrophobicContact CB-CG 3.95Å; W173-Q177 HydrophobicContact CE3-CB 4.39Å; W173-Q177 HydrophobicContact CE3-CG 4.29Å; W173-Q177 WeakPolarHBondContact O-CB 3.35Å; W173-Q177 WeakPolarHBondContact O-CG 3.46Å; W173-Q177 PolarHBondContact O-N 3.24Å; W173-I180 HydrophobicContact CZ3-CD1 4.03Å
174R93Very high93.1Very high51 Ų5151.6 Ų51.619%0.19226%0.264CS..Hα-helixtrans-56.5-31.2178.9-64.1-176.1-176.992.2-8.8113T9 K117 V138 D139 G172 I180T9-R174 HydrophobicContact CG2-CG 4.5Å; T9-R174 WeakPolarHBondContact OG1-CD 3.02Å; T9-R174 PolarHBondContact OG1-NE 3.15Å; K117-R174 VanDerWaalsContact CD-O 3.24Å; K117-R174 WeakPolarHBondContact CD-O 3.23Å; K117-R174 WeakPolarHBondContact CE-O 3.26Å; K117-R174 PolarHBondContact NZ-O 3.46Å; K117-R174 VanDerWaalsContact NZ-O 3.14Å; V138-R174 VanDerWaalsContact C-NH2 3.28Å; V138-R174 PolarHBondContact O-NH2 2.76Å; D139-R174 VanDerWaalsContact CG-NH2 3.34Å; D139-R174 IonicContact OD2-CZ 2.82Å; D139-R174 IonicContact OD2-NH1 2.79Å; D139-R174 PolarHBondContact OD2-NH1 2.88Å; D139-R174 IonicContact OD2-NH2 2.92Å; D139-R174 PolarHBondContact OD2-NH2 2.69Å; G172-R174 PolarHBondContact O-N 3Å; R174-I180 HydrophobicContact CB-CD1 4.4Å
175D91.4Very high93.3Very high123 Ų12351.2 Ų51.266%0.65826%0.26SS*.Hα-helixtrans-87.6-20.6-177.8-63.1-42000112.8K117 G172 W173K117-D175 PolarHBondContact NZ-O 2.75Å; G172-D175 PolarHBondContact O-N 3.27Å; W173-D175 PolarHBondContact O-N 3.32Å; W173-D175 VanDerWaalsContact O-N 3.13Å
176T89.1Confident93.4Very high100 Ų10044.5 Ų44.561%0.61323%0.231SC*.Hα-helixtrans-109.3-17.8-170.658.20000114.3W173W173-T176 WeakPolarHBondContact CA-OG1 3.42Å; W173-T176 PolarHBondContact O-N 3.5Å; W173-T176 VanDerWaalsContact O-N 3.09Å; W173-T176 PolarHBondContact O-OG1 3Å
177Q87.1Confident93.5Very high49 Ų4942.5 Ų42.523%0.22922%0.223CC..  trans-101.1139.8-175.2-59.7-59.7-5600111.8L11 L169 W173L11-Q177 HydrophobicContact CD1-CB 4.29Å; L11-Q177 HydrophobicContact CD1-CG 4.36Å; L11-Q177 HydrophobicContact CD2-CB 3.34Å; L11-Q177 HydrophobicContact CD2-CG 4.2Å; L11-Q177 HydrophobicContact CG-CB 4.47Å; L169-Q177 HydrophobicContact CD2-CG 4.26Å; W173-Q177 HydrophobicContact CB-CG 3.95Å; W173-Q177 HydrophobicContact CE3-CB 4.39Å; W173-Q177 HydrophobicContact CE3-CG 4.29Å; W173-Q177 WeakPolarHBondContact O-CB 3.35Å; W173-Q177 WeakPolarHBondContact O-CG 3.46Å; W173-Q177 PolarHBondContact O-N 3.24Å
178E89Confident93.6Very high120 Ų12043 Ų4356%0.56122%0.224SC*.SBendtrans-140.9149.9173.5-68.1-63.7164.900109.3K117 I180K117-E178 WeakPolarHBondContact CE-OE1 3.45Å; K117-E178 IonicContact NZ-OE1 3.42Å; K117-E178 PolarHBondContact NZ-OE1 3.35Å; E178-I180 PolarHBondContact OE2-N 2.9Å
179P91.3Very high93.6Very high13 Ų1339.8 Ų39.88%0.08421%0.208CC..SBendcis-71.7154.9-4.233.4-37.5000112.5L11 F12 F13 R166L11-P179 CarbonylContact C-O 3.29Å; L11-P179 VanDerWaalsContact C-O 3.29Å; L11-P179 VanDerWaalsContact CA-O 3.24Å; L11-P179 WeakPolarHBondContact CA-O 3.21Å; F12-P179 PolarHBondContact N-O 3.45Å; F13-P179 HydrophobicContact CD1-CB 3.75Å; F13-P179 HydrophobicContact CD2-CB 3.77Å; F13-P179 HydrophobicContact CD2-CG 3.67Å; F13-P179 HydrophobicContact CE1-CB 3.49Å; F13-P179 VanDerWaalsContact CE1-CB 3.49Å; F13-P179 HydrophobicContact CE1-CG 4.43Å; F13-P179 HydrophobicContact CE2-CB 3.51Å; F13-P179 HydrophobicContact CE2-CG 3.56Å; F13-P179 HydrophobicContact CG-CB 3.9Å; F13-P179 HydrophobicContact CG-CG 4.19Å; F13-P179 HydrophobicContact CZ-CB 3.38Å; F13-P179 HydrophobicContact CZ-CG 3.98Å; R166-P179 VanDerWaalsContact CZ-CD 3.45Å
180I90.8Very high93.5Very high10 Ų1043.6 Ų43.65%0.05122%0.224CC..  trans-133140.8175.7-159.5156.7000111.6T9 I10 L11 K117 W173 R174 E178T9-I180 HydrophobicContact CG2-CD1 4.45Å; I10-I180 WeakPolarHBondContact O-CA 3.34Å; L11-I180 HydrophobicContact CD2-CD1 4.44Å; K117-I180 HydrophobicContact CD-CG2 4.42Å; K117-I180 HydrophobicContact CG-CD1 4.14Å; K117-I180 HydrophobicContact CG-CG2 3.71Å; W173-I180 HydrophobicContact CZ3-CD1 4.03Å; R174-I180 HydrophobicContact CB-CD1 4.4Å; E178-I180 PolarHBondContact OE2-N 2.9Å
181M93.3Very high93.3Very high0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-133.6167.2169.166.7168.2-78.500109.6T9 I10 F12 Y17 Y113 E114 N116T9-M181 CarbonylContact C-O 3.46Å; T9-M181 WeakPolarHBondContact CA-O 3.45Å; I10-M181 HydrophobicContact CB-CG 4.4Å; I10-M181 HydrophobicContact CD1-CE 4.45Å; I10-M181 PolarHBondContact N-O 3.3Å; I10-M181 PolarHBondContact O-N 3.02Å; F12-M181 WeakPolarHBondContact O-CB 3.36Å; F12-M181 WeakPolarHBondContact O-CG 3.14Å; Y17-M181 WeakPolarHBondContact CB-SD 3.33Å; Y17-M181 HydrophobicContact CD1-CE 3.88Å; Y17-M181 HydrophobicContact CD1-SD 4.22Å; Y17-M181 HydrophobicContact CD2-SD 4.24Å; Y17-M181 HydrophobicContact CE1-CE 4.48Å; Y17-M181 HydrophobicContact CG-CE 3.94Å; Y17-M181 HydrophobicContact CG-SD 3.68Å; Y113-M181 HydrophobicContact CD1-CE 3.48Å; Y113-M181 VanDerWaalsContact CD1-CE 3.48Å; Y113-M181 HydrophobicContact CE1-CE 4.44Å; Y113-M181 HydrophobicContact CG-CE 3.98Å; E114-M181 CarbonylContact O-C 3.52Å; E114-M181 WeakPolarHBondContact O-CA 3.39Å; N116-M181 CarbonylContact O-C 3.3Å; N116-M181 VanDerWaalsContact O-C 3.3Å
182C95.1Very high93Very high0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-125.3129.1174.5-177.40000111.1L8 Y113 E114 N116 G118 Y184L8-C182 WeakPolarHBondContact O-CA 3.3Å; Y113-C182 WeakPolarHBondContact CA-O 3.39Å; E114-C182 PolarHBondContact N-O 2.91Å; E114-C182 VanDerWaalsContact N-O 3.13Å; E114-C182 PolarHBondContact O-N 3.33Å; N116-C182 WeakPolarHBondContact O-CB 3.35Å; N116-C182 PolarHBondContact O-N 2.93Å; G118-C182 VanDerWaalsContact CA-SG 3.57Å; C182-Y184 HydrophobicContact CB-CD2 4.13Å; C182-Y184 HydrophobicContact CB-CE2 3.55Å; C182-Y184 WeakPolarHBondContact O-CD2 3.34Å; C182-Y184 VanDerWaalsContact SG-CE2 3.56Å
183S95.3Very high92.7Very high0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-86.9117.5161.5-175.40000108.8L8 T111 Y113L8-S183 PolarHBondContact N-O 3.42Å; L8-S183 PolarHBondContact O-N 3.22Å; T111-S183 WeakPolarHBondContact CG2-OG 3.32Å; Y113-S183 WeakPolarHBondContact CE1-OG 3.33Å
184Y96Very high92.2Very high4 Ų447.5 Ų47.52%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-97.1127173.7-64.9-98.1000108.2K7 T111 K112 E114 N116 G118 S119 N120 I123 F124 C182K7-Y184 HydrophobicContact CD-CD1 4.04Å; K7-Y184 HydrophobicContact CD-CE1 3.7Å; K7-Y184 HydrophobicContact CG-CD1 3.95Å; K7-Y184 HydrophobicContact CG-CE1 4.11Å; T111-Y184 VanDerWaalsContact CA-O 3.26Å; T111-Y184 WeakPolarHBondContact CA-O 3.46Å; K112-Y184 PolarHBondContact N-O 2.68Å; K112-Y184 PolarHBondContact O-N 2.83Å; E114-Y184 HydrophobicContact CB-CE2 4.08Å; E114-Y184 HydrophobicContact CG-CE2 4.39Å; N116-Y184 VanDerWaalsContact CG-OH 3.3Å; N116-Y184 PolarHBondContact ND2-OH 2.73Å; N116-Y184 PolarHBondContact OD1-OH 2.74Å; G118-Y184 WeakPolarHBondContact CA-OH 3.26Å; S119-Y184 PolarHBondContact N-OH 2.96Å; S119-Y184 VanDerWaalsContact N-OH 3.15Å; N120-Y184 HydrophobicContact CB-CE1 4.27Å; N120-Y184 PolarHBondContact N-OH 2.87Å; N120-Y184 WeakPolarHBondContact O-CE1 3.3Å; I123-Y184 HydrophobicContact CD1-CD1 4.31Å; I123-Y184 HydrophobicContact CD1-CD2 3.34Å; I123-Y184 HydrophobicContact CD1-CE2 3.79Å; I123-Y184 HydrophobicContact CD1-CG 3.62Å; I123-Y184 HydrophobicContact CG2-CD1 3.76Å; I123-Y184 HydrophobicContact CG2-CE1 4.41Å; I123-Y184 HydrophobicContact CG2-CG 3.85Å; F124-Y184 WeakPolarHBondContact CZ-O 3.3Å; C182-Y184 HydrophobicContact CB-CD2 4.13Å; C182-Y184 HydrophobicContact CB-CE2 3.55Å; C182-Y184 WeakPolarHBondContact O-CD2 3.34Å; C182-Y184 VanDerWaalsContact SG-CE2 3.56Å
185K96.7Very high92Very high26 Ų2648.2 Ų48.211%0.11325%0.248CC..EExtended strand (participates in β ladder)trans-127.7111.8179.3-64.5-176.8176.2-73.20110.2A5 Y6 L8 I109 E110 T111 V187 L212A5-K185 CarbonylContact C-O 3.59Å; A5-K185 WeakPolarHBondContact CA-O 3.49Å; Y6-K185 PolarHBondContact N-O 3.31Å; Y6-K185 PolarHBondContact O-N 3.26Å; L8-K185 HydrophobicContact CD1-CD 4.02Å; L8-K185 HydrophobicContact CD1-CG 4.38Å; I109-K185 HydrophobicContact CG2-CB 4.27Å; E110-K185 CarbonylContact O-C 3.58Å; E110-K185 WeakPolarHBondContact O-CA 3.48Å; T111-K185 HydrophobicContact CG2-CG 3.89Å; T111-K185 PolarHBondContact OG1-NZ 3.01Å; K185-V187 HydrophobicContact CB-CG2 4.44Å; K185-L212 HydrophobicContact CD-CD1 3.86Å; K185-L212 HydrophobicContact CD-CD2 3.38Å; K185-L212 HydrophobicContact CD-CG 4.27Å
186L95.5Very high91.8Very high1 Ų145.8 Ų45.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-89.7112.3171.3-176.265.2000108.3V3 A5 I109 E110 F124 T126V3-L186 HydrophobicContact CG1-CD1 3.59Å; V3-L186 HydrophobicContact CG1-CG 4.35Å; A5-L186 HydrophobicContact CB-CD1 4.43Å; I109-L186 VanDerWaalsContact CA-O 3.32Å; I109-L186 WeakPolarHBondContact CA-O 3.44Å; E110-L186 HydrophobicContact CB-CB 4.44Å; E110-L186 PolarHBondContact N-O 3.47Å; E110-L186 PolarHBondContact O-N 2.81Å; F124-L186 HydrophobicContact CB-CD2 3.98Å; F124-L186 HydrophobicContact CD1-CB 4.14Å; F124-L186 HydrophobicContact CD1-CD2 4.47Å; F124-L186 HydrophobicContact CD2-CB 3.71Å; F124-L186 HydrophobicContact CD2-CD2 4.37Å; F124-L186 HydrophobicContact CD2-CG 4.5Å; F124-L186 HydrophobicContact CE1-CB 4.11Å; F124-L186 HydrophobicContact CE2-CB 3.66Å; F124-L186 HydrophobicContact CG-CB 3.95Å; F124-L186 HydrophobicContact CG-CD2 4.03Å; F124-L186 HydrophobicContact CZ-CB 3.87Å; T126-L186 HydrophobicContact CG2-CD2 4.24Å
187V96.4Very high91.8Very high0 Ų044.9 Ų44.90%022%0.223CC..EExtended strand (participates in β ladder)trans-110.6122.1-175.6-179.90000108.6V3 A4 Y6 I107 H108 I109 K185 V189 H205 V208V3-V187 WeakPolarHBondContact CA-O 3.24Å; A4-V187 PolarHBondContact N-O 3.13Å; A4-V187 PolarHBondContact O-N 3.05Å; Y6-V187 HydrophobicContact CD2-CB 4.21Å; Y6-V187 HydrophobicContact CD2-CG2 3.58Å; Y6-V187 HydrophobicContact CE2-CB 3.85Å; Y6-V187 HydrophobicContact CE2-CG1 4.48Å; Y6-V187 HydrophobicContact CE2-CG2 3.62Å; I107-V187 HydrophobicContact CG2-CG1 3.87Å; H108-V187 WeakPolarHBondContact O-CA 3.03Å; I109-V187 HydrophobicContact CD1-CG2 4.17Å; I109-V187 HydrophobicContact CG1-CG1 4.25Å; I109-V187 HydrophobicContact CG1-CG2 4.07Å; I109-V187 HydrophobicContact CG2-CG2 4.03Å; K185-V187 HydrophobicContact CB-CG2 4.44Å; V187-V189 HydrophobicContact CG1-CG2 4.16Å; V187-H205 PolarHBondContact O-CE1 3.35Å; V187-V208 HydrophobicContact CG1-CG1 4.25Å; V187-V208 HydrophobicContact CG2-CG1 4.04Å
188T94.9Very high91.9Very high21 Ų2146.7 Ų46.713%0.12924%0.238CC..EExtended strand (participates in β ladder)trans-113.1118173.8-59.60000108.9M1 V3 I107 H108M1-T188 HydrophobicContact CG-CG2 3.65Å; M1-T188 HydrophobicContact SD-CG2 3.79Å; V3-T188 HydrophobicContact CG2-CG2 4.08Å; I107-T188 CarbonylContact C-O 3.58Å; I107-T188 WeakPolarHBondContact CA-O 3.16Å; H108-T188 PolarHBondContact N-O 2.71Å; H108-T188 PolarHBondContact O-N 3.38Å
189V95.5Very high92Very high0 Ų047.8 Ų47.80%024%0.237CC..EExtended strand (participates in β ladder)trans-106.5132.1173-176.30000109.3M1 Y2 F105 I107 V187 E201 V204 H205M1-V189 CarbonylContact C-O 3.56Å; M1-V189 VanDerWaalsContact CA-O 3.26Å; M1-V189 WeakPolarHBondContact CA-O 3.5Å; Y2-V189 PolarHBondContact N-O 3.41Å; Y2-V189 PolarHBondContact O-N 3.48Å; F105-V189 HydrophobicContact CE2-CG1 4.17Å; I107-V189 HydrophobicContact CG1-CG2 4.28Å; I107-V189 HydrophobicContact CG2-CG2 4.06Å; V187-V189 HydrophobicContact CG1-CG2 4.16Å; V189-E201 HydrophobicContact CG1-CB 4.36Å; V189-E201 HydrophobicContact CG1-CG 4.11Å; V189-V204 HydrophobicContact CB-CG1 4.49Å; V189-V204 HydrophobicContact CG1-CB 4.04Å; V189-V204 HydrophobicContact CG1-CG1 3.9Å; V189-V204 HydrophobicContact CG2-CB 4.32Å; V189-V204 HydrophobicContact CG2-CG1 3.68Å; V189-H205 WeakPolarHBondContact CG2-CD2 3.34Å; V189-H205 VanDerWaalsContact CG2-NE2 3.3Å; V189-H205 WeakPolarHBondContact CG2-NE2 3.22Å
190K93.9Very high91.9Very high79 Ų7947.9 Ų47.934%0.34324%0.237SC..EExtended strand (participates in β ladder)trans-125.2124.1177.4-174.3177.8177.6-1790110F105 S106 E192F105-K190 WeakPolarHBondContact CA-O 3.49Å; S106-K190 PolarHBondContact N-O 2.79Å; S106-K190 PolarHBondContact O-N 2.86Å; K190-E192 VanDerWaalsContact CE-CD 3.47Å; K190-E192 WeakPolarHBondContact CE-OE1 3.21Å; K190-E192 HydrophobicContact CG-CG 4.39Å; K190-E192 IonicContact NZ-OE1 3.7Å; K190-E192 PolarHBondContact NZ-OE1 2.79Å
191F92.7Very high92.1Very high11 Ų1147.8 Ų47.85%0.04824%0.237CC..EExtended strand (participates in β ladder)trans-143.796.8174.6-175.2-113.9000111.9L102 F105 V193 L196 Q197 V200 E201L102-F191 HydrophobicContact CD1-CE2 3.99Å; L102-F191 HydrophobicContact CD2-CE2 4.4Å; F105-F191 HydrophobicContact CB-CD2 4.07Å; F105-F191 HydrophobicContact CD2-CB 4.35Å; F105-F191 AromaticContact CD2-CD2 3.93Å; F105-F191 HydrophobicContact CD2-CD2 3.93Å; F105-F191 HydrophobicContact CD2-CG 4.5Å; F105-F191 HydrophobicContact CG-CD2 4.48Å; F191-V193 HydrophobicContact CD1-CB 4.19Å; F191-V193 HydrophobicContact CD1-CG2 4.41Å; F191-V193 HydrophobicContact CD2-CG2 4.26Å; F191-V193 HydrophobicContact CE1-CB 3.52Å; F191-V193 HydrophobicContact CE1-CG1 4.4Å; F191-V193 HydrophobicContact CE1-CG2 3.77Å; F191-V193 HydrophobicContact CE2-CB 4.3Å; F191-V193 HydrophobicContact CE2-CG2 3.59Å; F191-V193 HydrophobicContact CZ-CB 3.59Å; F191-V193 HydrophobicContact CZ-CG1 4.36Å; F191-V193 HydrophobicContact CZ-CG2 3.31Å; F191-V193 PolarHBondContact O-N 3.28Å; F191-V193 VanDerWaalsContact O-N 3.12Å; F191-L196 HydrophobicContact CE1-CB 3.87Å; F191-Q197 WeakPolarHBondContact O-CB 3.38Å; F191-Q197 WeakPolarHBondContact O-CG 3.3Å; F191-V200 HydrophobicContact CB-CG1 4.25Å; F191-V200 HydrophobicContact CD1-CB 3.43Å; F191-V200 VanDerWaalsContact CD1-CB 3.43Å; F191-V200 HydrophobicContact CD1-CG1 3.62Å; F191-V200 HydrophobicContact CD1-CG2 3.82Å; F191-V200 HydrophobicContact CD2-CG1 4.19Å; F191-V200 HydrophobicContact CE1-CB 3.69Å; F191-V200 HydrophobicContact CE1-CG1 3.92Å; F191-V200 HydrophobicContact CE1-CG2 3.5Å; F191-V200 VanDerWaalsContact CE1-CG2 3.5Å; F191-V200 HydrophobicContact CE2-CG1 4.47Å; F191-V200 HydrophobicContact CG-CB 4.07Å; F191-V200 HydrophobicContact CG-CG1 3.76Å; F191-V200 HydrophobicContact CZ-CG1 4.33Å; F191-V200 HydrophobicContact CZ-CG2 4.2Å; F191-E201 HydrophobicContact CB-CG 3.96Å; F191-E201 PolarHBondContact N-OE1 2.76Å
192E88.7Confident92Very high83 Ų8353 Ų5339%0.38826%0.261SS..  trans-89.260.3-174.7-61.8-179.8175.600113.2K104 K190K104-E192 HydrophobicContact CB-CB 4.37Å; K104-E192 HydrophobicContact CD-CB 4.03Å; K104-E192 IonicContact NZ-OE2 3.3Å; K104-E192 PolarHBondContact NZ-OE2 2.64Å; K190-E192 VanDerWaalsContact CE-CD 3.47Å; K190-E192 WeakPolarHBondContact CE-OE1 3.21Å; K190-E192 HydrophobicContact CG-CG 4.39Å; K190-E192 IonicContact NZ-OE1 3.7Å; K190-E192 PolarHBondContact NZ-OE1 2.79Å
193V85.9Confident91.9Very high53 Ų5355.8 Ų55.832%0.32127%0.273SS..  trans-117.5122.7173.5179.90000110.3F191 G195 L196 Q197F191-V193 HydrophobicContact CD1-CB 4.19Å; F191-V193 HydrophobicContact CD1-CG2 4.41Å; F191-V193 HydrophobicContact CD2-CG2 4.26Å; F191-V193 HydrophobicContact CE1-CB 3.52Å; F191-V193 HydrophobicContact CE1-CG1 4.4Å; F191-V193 HydrophobicContact CE1-CG2 3.77Å; F191-V193 HydrophobicContact CE2-CB 4.3Å; F191-V193 HydrophobicContact CE2-CG2 3.59Å; F191-V193 HydrophobicContact CZ-CB 3.59Å; F191-V193 HydrophobicContact CZ-CG1 4.36Å; F191-V193 HydrophobicContact CZ-CG2 3.31Å; F191-V193 PolarHBondContact O-N 3.28Å; F191-V193 VanDerWaalsContact O-N 3.12Å; V193-G195 PolarHBondContact O-N 3.48Å; V193-L196 HydrophobicContact CG1-CB 4.36Å; V193-L196 HydrophobicContact CG1-CD1 4.31Å; V193-L196 PolarHBondContact O-N 2.9Å; V193-L196 VanDerWaalsContact O-N 3.17Å; V193-Q197 PolarHBondContact O-N 3.48Å
194W85.6Confident91.9Very high253 Ų25356.6 Ų56.696%0.95828%0.278SS*.THydrogen-bonded Turntrans-58.1133.6-178.2-174.383.7000111.6L196W194-L196 PolarHBondContact O-N 3.09Å
195G87.1Confident91.9Very high67 Ų6756.6 Ų56.669%0.69128%0.278SS*.THydrogen-bonded Turntrans76.4-9.2-179.500000115.9V193V193-G195 PolarHBondContact O-N 3.48Å
196L87.2Confident91.7Very high72 Ų7261.9 Ų61.938%0.37730%0.301SS..THydrogen-bonded Turntrans-123.1-14.5-178.7-65.2178.6000114.4F191 V193 W194 T198 R199 V200F191-L196 HydrophobicContact CE1-CB 3.87Å; V193-L196 HydrophobicContact CG1-CB 4.36Å; V193-L196 HydrophobicContact CG1-CD1 4.31Å; V193-L196 PolarHBondContact O-N 2.9Å; V193-L196 VanDerWaalsContact O-N 3.17Å; W194-L196 PolarHBondContact O-N 3.09Å; L196-T198 PolarHBondContact O-N 2.85Å; L196-R199 PolarHBondContact O-N 3.16Å; L196-V200 HydrophobicContact CB-CG2 4.3Å; L196-V200 WeakPolarHBondContact O-CG2 3.4Å; L196-V200 PolarHBondContact O-N 3.49Å
197Q90.3Very high91.6Very high80 Ų8064.7 Ų64.737%0.37432%0.318SS..Hα-helixtrans-41.9-69.5-177.6178.6170.1-26.500113.6M1 F191 V193 R199 V200 E201M1-Q197 VanDerWaalsContact N-NE2 3.19Å; F191-Q197 WeakPolarHBondContact O-CB 3.38Å; F191-Q197 WeakPolarHBondContact O-CG 3.3Å; V193-Q197 PolarHBondContact O-N 3.48Å; Q197-R199 VanDerWaalsContact C-N 3.32Å; Q197-R199 PolarHBondContact O-N 3.46Å; Q197-V200 PolarHBondContact O-N 3.5Å; Q197-E201 HydrophobicContact CG-CG 4.35Å; Q197-E201 WeakPolarHBondContact O-CB 3.41Å; Q197-E201 WeakPolarHBondContact O-CG 3.33Å; Q197-E201 PolarHBondContact O-N 2.81Å
198T89.7Confident91.6Very high87 Ų8765.5 Ų65.553%0.53432%0.323SS..Hα-helixtrans-58.3-43.6-174-52.60000112.4L196 V200 E201 Q202L196-T198 PolarHBondContact O-N 2.85Å; T198-V200 PolarHBondContact O-N 2.9Å; T198-E201 PolarHBondContact O-N 2.98Å; T198-Q202 HydrophobicContact CG2-CG 4.38Å; T198-Q202 WeakPolarHBondContact O-CB 3.12Å; T198-Q202 VanDerWaalsContact O-CG 3.27Å; T198-Q202 WeakPolarHBondContact O-CG 3.29Å; T198-Q202 PolarHBondContact O-N 3.27Å
199R89.4Confident91.6Very high143 Ų14367.4 Ų67.454%0.5433%0.328SS..Hα-helixtrans-62.7-42.5-178.8179.4176.9175158.60.8112L196 Q197 F203L196-R199 PolarHBondContact O-N 3.16Å; Q197-R199 VanDerWaalsContact C-N 3.32Å; Q197-R199 PolarHBondContact O-N 3.46Å; R199-F203 VanDerWaalsContact O-CB 3.27Å; R199-F203 WeakPolarHBondContact O-CB 3.3Å; R199-F203 PolarHBondContact O-N 2.84Å; R199-F203 VanDerWaalsContact O-N 3.09Å
200V90.4Very high91.6Very high15 Ų1569.1 Ų69.19%0.09134%0.337CS..Hα-helixtrans-74.7-43.8179.9173.80000110.7W71 F191 L196 Q197 T198 Q202 F203 V204W71-V200 HydrophobicContact CH2-CG2 4.08Å; W71-V200 HydrophobicContact CZ3-CG2 4.17Å; F191-V200 HydrophobicContact CB-CG1 4.25Å; F191-V200 HydrophobicContact CD1-CB 3.43Å; F191-V200 VanDerWaalsContact CD1-CB 3.43Å; F191-V200 HydrophobicContact CD1-CG1 3.62Å; F191-V200 HydrophobicContact CD1-CG2 3.82Å; F191-V200 HydrophobicContact CD2-CG1 4.19Å; F191-V200 HydrophobicContact CE1-CB 3.69Å; F191-V200 HydrophobicContact CE1-CG1 3.92Å; F191-V200 HydrophobicContact CE1-CG2 3.5Å; F191-V200 VanDerWaalsContact CE1-CG2 3.5Å; F191-V200 HydrophobicContact CE2-CG1 4.47Å; F191-V200 HydrophobicContact CG-CB 4.07Å; F191-V200 HydrophobicContact CG-CG1 3.76Å; F191-V200 HydrophobicContact CZ-CG1 4.33Å; F191-V200 HydrophobicContact CZ-CG2 4.2Å; L196-V200 HydrophobicContact CB-CG2 4.3Å; L196-V200 WeakPolarHBondContact O-CG2 3.4Å; L196-V200 PolarHBondContact O-N 3.49Å; Q197-V200 PolarHBondContact O-N 3.5Å; T198-V200 PolarHBondContact O-N 2.9Å; V200-Q202 PolarHBondContact O-N 2.9Å; V200-F203 PolarHBondContact O-N 3.17Å; V200-V204 HydrophobicContact CG1-CG2 4.29Å; V200-V204 VanDerWaalsContact O-CG2 3.29Å; V200-V204 WeakPolarHBondContact O-CG2 3.41Å; V200-V204 PolarHBondContact O-N 3.34Å
201E93.7Very high91.6Very high9 Ų969.1 Ų69.14%0.04234%0.343CS..Hα-helixtrans-57.7-48.4177.3-69.9-178.7162.200110.7M1 Y2 V189 F191 Q197 T198 F203 V204 H205M1-E201 VanDerWaalsContact CA-OE1 3.23Å; M1-E201 WeakPolarHBondContact CA-OE1 3.32Å; M1-E201 VanDerWaalsContact N-CD 3.26Å; M1-E201 PolarHBondContact N-OE1 2.81Å; M1-E201 PolarHBondContact N-OE2 2.87Å; Y2-E201 HydrophobicContact CD1-CB 4.42Å; V189-E201 HydrophobicContact CG1-CB 4.36Å; V189-E201 HydrophobicContact CG1-CG 4.11Å; F191-E201 HydrophobicContact CB-CG 3.96Å; F191-E201 PolarHBondContact N-OE1 2.76Å; Q197-E201 HydrophobicContact CG-CG 4.35Å; Q197-E201 WeakPolarHBondContact O-CB 3.41Å; Q197-E201 WeakPolarHBondContact O-CG 3.33Å; Q197-E201 PolarHBondContact O-N 2.81Å; T198-E201 PolarHBondContact O-N 2.98Å; E201-F203 PolarHBondContact O-N 2.71Å; E201-V204 PolarHBondContact O-N 2.92Å; E201-H205 PolarHBondContact O-CD2 3.29Å; E201-H205 PolarHBondContact O-N 2.85Å
202Q92.8Very high91.7Very high110 Ų11069.5 Ų69.551%0.51435%0.346SS..Hα-helixtrans-63-42.9176-72.8174.6-19.400113Y2 T198 V200 V204 H205 K206Y2-Q202 HydrophobicContact CE1-CG 4.35Å; T198-Q202 HydrophobicContact CG2-CG 4.38Å; T198-Q202 WeakPolarHBondContact O-CB 3.12Å; T198-Q202 VanDerWaalsContact O-CG 3.27Å; T198-Q202 WeakPolarHBondContact O-CG 3.29Å; T198-Q202 PolarHBondContact O-N 3.27Å; V200-Q202 PolarHBondContact O-N 2.9Å; Q202-V204 VanDerWaalsContact C-N 3.31Å; Q202-V204 PolarHBondContact O-N 3.43Å; Q202-H205 PolarHBondContact O-N 3.22Å; Q202-K206 PolarHBondContact O-N 3.02Å
203F92.6Very high92.1Very high58 Ų5865.6 Ų65.625%0.25433%0.328SS..Hα-helixtrans-60.1-43.4177.1169.5-105.1000111.6P69 W71 R199 V200 E201 K206 V207P69-F203 VanDerWaalsContact CD-CZ 3.44Å; P69-F203 HydrophobicContact CG-CE1 4.14Å; P69-F203 HydrophobicContact CG-CE2 3.7Å; P69-F203 HydrophobicContact CG-CZ 3.48Å; P69-F203 VanDerWaalsContact CG-CZ 3.48Å; W71-F203 HydrophobicContact CH2-CD1 4.02Å; W71-F203 HydrophobicContact CH2-CG 4.27Å; W71-F203 HydrophobicContact CZ2-CB 4.09Å; W71-F203 AromaticContact CZ2-CD1 3.7Å; W71-F203 HydrophobicContact CZ2-CD1 3.7Å; W71-F203 HydrophobicContact CZ2-CD2 4.02Å; W71-F203 HydrophobicContact CZ2-CE1 4.15Å; W71-F203 HydrophobicContact CZ2-CE2 4.45Å; W71-F203 AromaticContact CZ2-CG 3.63Å; W71-F203 HydrophobicContact CZ2-CG 3.63Å; R199-F203 VanDerWaalsContact O-CB 3.27Å; R199-F203 WeakPolarHBondContact O-CB 3.3Å; R199-F203 PolarHBondContact O-N 2.84Å; R199-F203 VanDerWaalsContact O-N 3.09Å; V200-F203 PolarHBondContact O-N 3.17Å; E201-F203 PolarHBondContact O-N 2.71Å; F203-K206 WeakPolarHBondContact O-CB 2.73Å; F203-K206 PolarHBondContact O-N 3.12Å; F203-V207 HydrophobicContact CD1-CG2 4.47Å; F203-V207 HydrophobicContact CD2-CG2 4.4Å; F203-V207 HydrophobicContact CE1-CG2 3.89Å; F203-V207 HydrophobicContact CE2-CG2 3.81Å; F203-V207 HydrophobicContact CZ-CG2 3.5Å; F203-V207 WeakPolarHBondContact O-CG2 3.04Å; F203-V207 PolarHBondContact O-N 2.9Å
204V94.3Very high92.6Very high16 Ų1663.4 Ų63.410%0.09731%0.314CS..Hα-helixtrans-66.8-41179.1172.10000110.9F105 I107 V189 V200 E201 Q202 K206 V207 V208F105-V204 HydrophobicContact CE2-CG1 4.47Å; F105-V204 HydrophobicContact CE2-CG2 3.9Å; F105-V204 HydrophobicContact CZ-CG1 4.26Å; F105-V204 HydrophobicContact CZ-CG2 4.09Å; I107-V204 HydrophobicContact CD1-CG1 3.44Å; I107-V204 VanDerWaalsContact CD1-CG1 3.44Å; I107-V204 HydrophobicContact CG1-CG1 3.94Å; V189-V204 HydrophobicContact CB-CG1 4.49Å; V189-V204 HydrophobicContact CG1-CB 4.04Å; V189-V204 HydrophobicContact CG1-CG1 3.9Å; V189-V204 HydrophobicContact CG2-CB 4.32Å; V189-V204 HydrophobicContact CG2-CG1 3.68Å; V200-V204 HydrophobicContact CG1-CG2 4.29Å; V200-V204 VanDerWaalsContact O-CG2 3.29Å; V200-V204 WeakPolarHBondContact O-CG2 3.41Å; V200-V204 PolarHBondContact O-N 3.34Å; E201-V204 PolarHBondContact O-N 2.92Å; Q202-V204 VanDerWaalsContact C-N 3.31Å; Q202-V204 PolarHBondContact O-N 3.43Å; V204-K206 VanDerWaalsContact C-N 3.31Å; V204-K206 PolarHBondContact O-N 2.92Å; V204-V207 PolarHBondContact O-N 3.43Å; V204-V207 VanDerWaalsContact O-N 3.15Å; V204-V208 HydrophobicContact CG1-CG2 4.33Å; V204-V208 WeakPolarHBondContact O-CG2 3.49Å; V204-V208 PolarHBondContact O-N 3.42Å
205H95.6Very high93Very high5 Ų551.6 Ų51.62%0.02327%0.271CS..Hα-helixtrans-58.9-42.5173-89.9-94.5000112.4Y2 A4 Y6 V187 V189 E201 Q202 V207 V208 R209Y2-H205 HydrophobicContact CD1-CB 4.32Å; Y2-H205 AromaticContact CD1-CD2 3.15Å; Y2-H205 WeakPolarHBondContact CD1-CD2 3.13Å; Y2-H205 AromaticContact CD1-CG 3.68Å; Y2-H205 AromaticContact CD1-NE2 3.51Å; Y2-H205 HydrophobicContact CE1-CB 3.88Å; Y2-H205 AromaticContact CE1-CD2 3.56Å; Y2-H205 AromaticContact CE1-CG 3.55Å; Y2-H205 AromaticContact CG-NE2 3.96Å; Y2-H205 PolarHBondContact O-NE2 3.03Å; A4-H205 VanDerWaalsContact CB-CE1 3.48Å; A4-H205 WeakPolarHBondContact CB-CE1 3.41Å; A4-H205 WeakPolarHBondContact CB-ND1 3.45Å; Y6-H205 AromaticContact CZ-ND1 3.93Å; Y6-H205 PolarHBondContact OH-ND1 2.91Å; Y6-H205 PolarHBondContact OH-O 3.14Å; Y6-H205 VanDerWaalsContact OH-O 3.08Å; V187-H205 PolarHBondContact O-CE1 3.35Å; V189-H205 WeakPolarHBondContact CG2-CD2 3.34Å; V189-H205 VanDerWaalsContact CG2-NE2 3.3Å; V189-H205 WeakPolarHBondContact CG2-NE2 3.22Å; E201-H205 PolarHBondContact O-CD2 3.29Å; E201-H205 PolarHBondContact O-N 2.85Å; Q202-H205 PolarHBondContact O-N 3.22Å; H205-V207 PolarHBondContact O-N 3.46Å; H205-V208 PolarHBondContact O-N 3.49Å; H205-R209 WeakPolarHBondContact O-CB 3.42Å; H205-R209 PolarHBondContact O-N 2.98Å
206K93.8Very high93.3Very high136 Ų13648.7 Ų48.759%0.59124%0.239SC*.Hα-helixtrans-58.7-46.5173.3-178175.8179.1171.80111.8Q202 F203 V204 V208 R209 D210Q202-K206 PolarHBondContact O-N 3.02Å; F203-K206 WeakPolarHBondContact O-CB 2.73Å; F203-K206 PolarHBondContact O-N 3.12Å; V204-K206 VanDerWaalsContact C-N 3.31Å; V204-K206 PolarHBondContact O-N 2.92Å; K206-V208 PolarHBondContact O-N 3.01Å; K206-R209 PolarHBondContact O-N 3.16Å; K206-D210 VanDerWaalsContact O-CG 3.28Å; K206-D210 PolarHBondContact O-N 3.1Å
207V93.1Very high93.8Very high60 Ų6045.8 Ų45.836%0.36422%0.223SC..Hα-helixtrans-61.6-43.9177.2172.20000111.5F203 V204 H205 D210 V211F203-V207 HydrophobicContact CD1-CG2 4.47Å; F203-V207 HydrophobicContact CD2-CG2 4.4Å; F203-V207 HydrophobicContact CE1-CG2 3.89Å; F203-V207 HydrophobicContact CE2-CG2 3.81Å; F203-V207 HydrophobicContact CZ-CG2 3.5Å; F203-V207 WeakPolarHBondContact O-CG2 3.04Å; F203-V207 PolarHBondContact O-N 2.9Å; V204-V207 PolarHBondContact O-N 3.43Å; V204-V207 VanDerWaalsContact O-N 3.15Å; H205-V207 PolarHBondContact O-N 3.46Å; V207-D210 PolarHBondContact O-N 2.78Å; V207-V211 HydrophobicContact CG1-CG2 4.43Å; V207-V211 WeakPolarHBondContact O-CG2 3.23Å; V207-V211 PolarHBondContact O-N 2.82Å
208V95.6Very high94.1Very high17 Ų1742.1 Ų42.110%0.10321%0.206CC..Hα-helixtrans-60.1-47.2176.6170.20000110.4Y6 I107 V187 V204 H205 K206 D210 V211 L212Y6-V208 HydrophobicContact CE2-CG1 4.14Å; I107-V208 HydrophobicContact CD1-CG2 4.49Å; V187-V208 HydrophobicContact CG1-CG1 4.25Å; V187-V208 HydrophobicContact CG2-CG1 4.04Å; V204-V208 HydrophobicContact CG1-CG2 4.33Å; V204-V208 WeakPolarHBondContact O-CG2 3.49Å; V204-V208 PolarHBondContact O-N 3.42Å; H205-V208 PolarHBondContact O-N 3.49Å; K206-V208 PolarHBondContact O-N 3.01Å; V208-D210 PolarHBondContact O-N 2.96Å; V208-V211 PolarHBondContact O-N 2.92Å; V208-L212 HydrophobicContact CG1-CD1 3.73Å; V208-L212 HydrophobicContact CG1-CG 4.18Å; V208-L212 WeakPolarHBondContact O-CB 3.25Å; V208-L212 WeakPolarHBondContact O-CG 3.41Å; V208-L212 PolarHBondContact O-N 2.82Å
209R96.1Very high94.3Very high62 Ų6238 Ų3823%0.23418%0.181CC..Hα-helixtrans-57.2-47.8176.3-171.1-172.4-174-76.6-4.1111.9Y6 C136 V138 D143 H205 K206 V211 L212 L213Y6-R209 HydrophobicContact CD1-CG 4.37Å; Y6-R209 HydrophobicContact CE1-CB 3.75Å; Y6-R209 HydrophobicContact CE1-CG 3.91Å; C136-R209 PolarHBondContact SG-NE 2.94Å; V138-R209 HydrophobicContact CG2-CG 4.47Å; D143-R209 VanDerWaalsContact CG-NH2 3.33Å; D143-R209 IonicContact OD1-NH2 2.76Å; D143-R209 IonicContact OD2-CZ 3.33Å; D143-R209 IonicContact OD2-NH1 3.66Å; D143-R209 IonicContact OD2-NH2 2.93Å; D143-R209 PolarHBondContact OD2-NH2 2.82Å; H205-R209 WeakPolarHBondContact O-CB 3.42Å; H205-R209 PolarHBondContact O-N 2.98Å; K206-R209 PolarHBondContact O-N 3.16Å; R209-V211 PolarHBondContact O-N 3.47Å; R209-L212 PolarHBondContact O-N 3.26Å; R209-L213 WeakPolarHBondContact O-CB 3.48Å; R209-L213 PolarHBondContact O-N 2.87Å
210D94.4Very high94.6Very high36 Ų3631.1 Ų31.119%0.19316%0.155CC..Hα-helixtrans-62.2-42.3-179.3-69.8-7.2000111.5K206 V207 V208 L214K206-D210 VanDerWaalsContact O-CG 3.28Å; K206-D210 PolarHBondContact O-N 3.1Å; V207-D210 PolarHBondContact O-N 2.78Å; V208-D210 PolarHBondContact O-N 2.96Å; D210-L214 WeakPolarHBondContact O-CB 3.38Å; D210-L214 PolarHBondContact O-N 2.79Å
211V93.9Very high94.9Very high78 Ų7830.9 Ų30.947%0.47315%0.154SC..Hα-helixtrans-66.1-44.5176.7170.70000111.2V207 V208 R209 L214 G215V207-V211 HydrophobicContact CG1-CG2 4.43Å; V207-V211 WeakPolarHBondContact O-CG2 3.23Å; V207-V211 PolarHBondContact O-N 2.82Å; V208-V211 PolarHBondContact O-N 2.92Å; R209-V211 PolarHBondContact O-N 3.47Å; V211-L214 PolarHBondContact O-N 3.5Å; V211-G215 PolarHBondContact O-N 2.89Å
212L95.6Very high95.1Very high20 Ų2031 Ų3111%0.10515%0.154CC..Hα-helixtrans-62.2-46.7177.9-70.4176.2000111.1Y6 L8 K185 V208 R209 H216Y6-L212 HydrophobicContact CD1-CD1 4.48Å; Y6-L212 HydrophobicContact CD2-CD1 4.04Å; Y6-L212 HydrophobicContact CG-CD1 3.94Å; L8-L212 HydrophobicContact CD1-CD1 4.31Å; L8-L212 HydrophobicContact CD2-CB 3.93Å; K185-L212 HydrophobicContact CD-CD1 3.86Å; K185-L212 HydrophobicContact CD-CD2 3.38Å; K185-L212 HydrophobicContact CD-CG 4.27Å; V208-L212 HydrophobicContact CG1-CD1 3.73Å; V208-L212 HydrophobicContact CG1-CG 4.18Å; V208-L212 WeakPolarHBondContact O-CB 3.25Å; V208-L212 WeakPolarHBondContact O-CG 3.41Å; V208-L212 PolarHBondContact O-N 2.82Å; R209-L212 PolarHBondContact O-N 3.26Å; L212-H216 WeakPolarHBondContact O-CB 3.07Å; L212-H216 PolarHBondContact O-N 3.38Å; L212-H216 PolarHBondContact O-ND1 2.89Å
213L96.6Very high95.3Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-57.9-53.2176.917357.5000111.5V138 D139 D143 E144 I145 R209 H216 R217V138-L213 HydrophobicContact CG1-CB 3.8Å; V138-L213 HydrophobicContact CG1-CD1 3.67Å; V138-L213 HydrophobicContact CG1-CG 4.27Å; D139-L213 VanDerWaalsContact O-CD1 3.28Å; D139-L213 WeakPolarHBondContact O-CD1 3.5Å; D143-L213 HydrophobicContact CB-CD1 3.91Å; D143-L213 HydrophobicContact CB-CD2 3.5Å; D143-L213 VanDerWaalsContact CB-CD2 3.5Å; D143-L213 HydrophobicContact CB-CG 4.36Å; E144-L213 WeakPolarHBondContact O-CD2 3.41Å; I145-L213 HydrophobicContact CG2-CD2 3.58Å; I145-L213 HydrophobicContact CG2-CG 3.73Å; R209-L213 WeakPolarHBondContact O-CB 3.48Å; R209-L213 PolarHBondContact O-N 2.87Å; L213-H216 PolarHBondContact O-N 2.76Å; L213-R217 WeakPolarHBondContact O-CB 3.38Å; L213-R217 PolarHBondContact O-N 2.89Å
214L96Very high95.5Very high8 Ų824.5 Ų24.54%0.04213%0.126CC..Hα-helixtrans-61.8-48.2-177.9-179.459.3000111.7I145 Y149 D210 V211 H216 R217 Q218I145-L214 HydrophobicContact CD1-CD1 4.36Å; Y149-L214 HydrophobicContact CD1-CD2 4.17Å; Y149-L214 HydrophobicContact CD2-CD2 4.18Å; Y149-L214 HydrophobicContact CG-CD2 3.84Å; D210-L214 WeakPolarHBondContact O-CB 3.38Å; D210-L214 PolarHBondContact O-N 2.79Å; V211-L214 PolarHBondContact O-N 3.5Å; L214-H216 PolarHBondContact O-N 3.26Å; L214-R217 PolarHBondContact O-N 2.96Å; L214-Q218 HydrophobicContact CD1-CG 4.31Å; L214-Q218 WeakPolarHBondContact O-CB 3.28Å; L214-Q218 WeakPolarHBondContact O-CG 3.38Å; L214-Q218 PolarHBondContact O-N 3.49Å
215G94.4Very high95.7Very high5 Ų528 Ų285%0.05214%0.141CC..Hα-helixtrans-61.5-40.918000000112.8M24 V211 Q218 A219M24-G215 VanDerWaalsContact CG-O 3.25Å; M24-G215 WeakPolarHBondContact CG-O 3.44Å; V211-G215 PolarHBondContact O-N 2.89Å; G215-Q218 PolarHBondContact O-N 3.49Å; G215-A219 PolarHBondContact O-N 2.97Å
216H94.7Very high95.7Very high5 Ų527.8 Ų27.82%0.02314%0.14CC..Hα-helixtrans-76-32.1-179.9-69.970.6000112.9L8 Y17 I140 L212 L213 L214 Q218 A219 F220L8-H216 HydrophobicContact CD2-CB 4.12Å; Y17-H216 PolarHBondContact OH-NE2 3.01Å; I140-H216 HydrophobicContact CG2-CB 3.65Å; L212-H216 WeakPolarHBondContact O-CB 3.07Å; L212-H216 PolarHBondContact O-N 3.38Å; L212-H216 PolarHBondContact O-ND1 2.89Å; L213-H216 PolarHBondContact O-N 2.76Å; L214-H216 PolarHBondContact O-N 3.26Å; H216-Q218 VanDerWaalsContact C-N 3.34Å; H216-A219 WeakPolarHBondContact O-CB 3.38Å; H216-A219 PolarHBondContact O-N 3.4Å; H216-F220 PolarHBondContact O-N 2.93Å
217R96.4Very high95.8Very high12 Ų1222.6 Ų22.65%0.04512%0.118CC..Hα-helixtrans-58.3-49.3168.3175169.5-64.5158.97.6110.7I140 D143 I145 E154 L156 L213 L214 A219 F220 A221I140-R217 VanDerWaalsContact O-CZ 3.28Å; I140-R217 PolarHBondContact O-NE 2.81Å; I140-R217 PolarHBondContact O-NH2 3.46Å; D143-R217 PolarHBondContact O-NH2 3.22Å; I145-R217 VanDerWaalsContact CD1-NH1 3.27Å; E154-R217 WeakPolarHBondContact O-CD 3.24Å; E154-R217 VanDerWaalsContact O-CG 3.27Å; E154-R217 WeakPolarHBondContact O-CG 3.34Å; L156-R217 HydrophobicContact CD1-CG 4.25Å; L156-R217 HydrophobicContact CD2-CG 4.33Å; L156-R217 HydrophobicContact CG-CG 4.02Å; L213-R217 WeakPolarHBondContact O-CB 3.38Å; L213-R217 PolarHBondContact O-N 2.89Å; L214-R217 PolarHBondContact O-N 2.96Å; R217-A219 PolarHBondContact O-N 2.81Å; R217-F220 PolarHBondContact O-N 2.96Å; R217-A221 PolarHBondContact O-N 3.27Å
218Q96.1Very high95.9Very high2 Ų225 Ų251%0.00913%0.129CC..Hα-helixtrans-65.3-36.2178.5-73.5-177.9-29.800113H28 E154 L214 G215 H216 F220 A221 W222H28-Q218 PolarHBondContact ND1-OE1 3.07Å; E154-Q218 WeakPolarHBondContact OE2-CG 3.5Å; E154-Q218 PolarHBondContact OE2-NE2 3.17Å; L214-Q218 HydrophobicContact CD1-CG 4.31Å; L214-Q218 WeakPolarHBondContact O-CB 3.28Å; L214-Q218 WeakPolarHBondContact O-CG 3.38Å; L214-Q218 PolarHBondContact O-N 3.49Å; G215-Q218 PolarHBondContact O-N 3.49Å; H216-Q218 VanDerWaalsContact C-N 3.34Å; Q218-F220 PolarHBondContact O-N 3.13Å; Q218-A221 PolarHBondContact O-N 3.26Å; Q218-W222 HydrophobicContact CB-CD2 3.98Å; Q218-W222 HydrophobicContact CB-CE3 3.86Å; Q218-W222 HydrophobicContact CB-CH2 3.7Å; Q218-W222 HydrophobicContact CB-CZ2 3.79Å; Q218-W222 HydrophobicContact CB-CZ3 3.72Å; Q218-W222 HydrophobicContact CG-CH2 3.89Å; Q218-W222 HydrophobicContact CG-CZ2 3.69Å; Q218-W222 HydrophobicContact CG-CZ3 4.43Å; Q218-W222 WeakPolarHBondContact O-CB 3.32Å; Q218-W222 VanDerWaalsContact O-CG 3.25Å; Q218-W222 PolarHBondContact O-N 3.08Å; Q218-W222 VanDerWaalsContact OE1-CH2 3.24Å
219A94.1Very high96Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-54.6-42.4174.100000111.8M24 G215 H216 R217 W226M24-A219 HydrophobicContact CB-CB 4.18Å; M24-A219 HydrophobicContact CG-CB 4.01Å; G215-A219 PolarHBondContact O-N 2.97Å; H216-A219 WeakPolarHBondContact O-CB 3.38Å; H216-A219 PolarHBondContact O-N 3.4Å; R217-A219 PolarHBondContact O-N 2.81Å; A219-W226 WeakPolarHBondContact O-CZ2 3.46Å; A219-W226 PolarHBondContact O-NE1 3.02Å
220F95.8Very high96.1Very high0 Ų026.7 Ų26.70%014%0.144CC..Hα-helixtrans-78.7-42.4176.7-172-110000112.9L11 F12 I140 L156 F159 R166 L169 H216 R217 Q218 W222 V223L11-F220 HydrophobicContact CB-CD2 3.99Å; L11-F220 HydrophobicContact CB-CE2 3.72Å; L11-F220 HydrophobicContact CB-CZ 4.46Å; L11-F220 HydrophobicContact CD1-CD2 4.43Å; L11-F220 HydrophobicContact CD1-CE1 4.23Å; L11-F220 HydrophobicContact CD1-CE2 3.83Å; L11-F220 HydrophobicContact CD1-CZ 3.72Å; L11-F220 HydrophobicContact CG-CE2 4.36Å; F12-F220 HydrophobicContact CE1-CD2 4.11Å; F12-F220 HydrophobicContact CE1-CE2 4.49Å; F12-F220 HydrophobicContact CE2-CB 4.43Å; F12-F220 HydrophobicContact CE2-CD2 4.1Å; F12-F220 HydrophobicContact CZ-CB 4.36Å; F12-F220 AromaticContact CZ-CD2 3.5Å; F12-F220 HydrophobicContact CZ-CD2 3.5Å; F12-F220 VanDerWaalsContact CZ-CD2 3.5Å; F12-F220 HydrophobicContact CZ-CE2 4.29Å; F12-F220 HydrophobicContact CZ-CG 4.39Å; I140-F220 HydrophobicContact CD1-CB 4.49Å; L156-F220 HydrophobicContact CD1-CB 4.08Å; L156-F220 HydrophobicContact CD1-CD1 3.78Å; L156-F220 HydrophobicContact CD1-CG 4.35Å; L156-F220 HydrophobicContact CD2-CB 4.43Å; L156-F220 HydrophobicContact CD2-CD1 3.69Å; L156-F220 HydrophobicContact CG-CD1 4.18Å; F159-F220 HydrophobicContact CD1-CD1 4.12Å; F159-F220 AromaticContact CD1-CE1 3.93Å; F159-F220 HydrophobicContact CD1-CE1 3.93Å; F159-F220 HydrophobicContact CE1-CD1 4.3Å; F159-F220 HydrophobicContact CE1-CE1 4.15Å; F159-F220 WeakPolarHBondContact CE1-O 3.29Å; R166-F220 HydrophobicContact CB-CE2 3.98Å; R166-F220 HydrophobicContact CB-CZ 3.76Å; L169-F220 HydrophobicContact CD1-CD1 4.37Å; L169-F220 HydrophobicContact CD1-CE1 4.24Å; L169-F220 HydrophobicContact CD2-CE1 4.36Å; L169-F220 HydrophobicContact CG-CE1 4.31Å; H216-F220 PolarHBondContact O-N 2.93Å; R217-F220 PolarHBondContact O-N 2.96Å; Q218-F220 PolarHBondContact O-N 3.13Å; F220-W222 PolarHBondContact O-N 3.09Å; F220-V223 VanDerWaalsContact O-CB 3.23Å; F220-V223 WeakPolarHBondContact O-CB 3.44Å; F220-V223 WeakPolarHBondContact O-CG1 3.34Å; F220-V223 PolarHBondContact O-N 3.21Å; F220-V223 VanDerWaalsContact O-N 3.07Å
221A97.1Very high96Very high9 Ų927.7 Ų27.77%0.07415%0.148CC..Hα-helixtrans-61.1-30178.200000113.3E154 L156 F159 R217 Q218E154-A221 HydrophobicContact CB-CB 4Å; E154-A221 HydrophobicContact CG-CB 4.09Å; L156-A221 HydrophobicContact CD2-CB 3.92Å; F159-A221 WeakPolarHBondContact CE2-O 3.41Å; F159-A221 WeakPolarHBondContact CZ-O 3.49Å; R217-A221 PolarHBondContact O-N 3.27Å; Q218-A221 PolarHBondContact O-N 3.26Å
222W97.8Very high96.2Very high11 Ų1130.2 Ų30.24%0.04216%0.16CC..THydrogen-bonded Turntrans-95.511.1178.2-55.1-28.1000113.2Y23 M24 K27 H28 E154 Q218 F220 D224 E225 W226Y23-W222 HydrophobicContact CE1-CB 4.09Å; Y23-W222 HydrophobicContact CE1-CE3 4.22Å; M24-W222 HydrophobicContact CG-CZ3 4.39Å; K27-W222 HydrophobicContact CB-CE3 4.29Å; K27-W222 HydrophobicContact CB-CH2 4.34Å; K27-W222 HydrophobicContact CB-CZ3 3.83Å; K27-W222 HydrophobicContact CD-CD2 3.86Å; K27-W222 HydrophobicContact CD-CE3 3.72Å; K27-W222 HydrophobicContact CD-CG 4.48Å; K27-W222 HydrophobicContact CD-CH2 4.09Å; K27-W222 HydrophobicContact CD-CZ2 4.23Å; K27-W222 HydrophobicContact CD-CZ3 3.85Å; K27-W222 HydrophobicContact CG-CE3 4.2Å; K27-W222 HydrophobicContact CG-CH2 3.89Å; K27-W222 HydrophobicContact CG-CZ2 4.39Å; K27-W222 HydrophobicContact CG-CZ3 3.8Å; H28-W222 HydrophobicContact CB-CH2 4.35Å; H28-W222 HydrophobicContact CB-CZ3 4.35Å; E154-W222 PolarHBondContact OE1-NE1 2.83Å; Q218-W222 HydrophobicContact CB-CD2 3.98Å; Q218-W222 HydrophobicContact CB-CE3 3.86Å; Q218-W222 HydrophobicContact CB-CH2 3.7Å; Q218-W222 HydrophobicContact CB-CZ2 3.79Å; Q218-W222 HydrophobicContact CB-CZ3 3.72Å; Q218-W222 HydrophobicContact CG-CH2 3.89Å; Q218-W222 HydrophobicContact CG-CZ2 3.69Å; Q218-W222 HydrophobicContact CG-CZ3 4.43Å; Q218-W222 WeakPolarHBondContact O-CB 3.32Å; Q218-W222 VanDerWaalsContact O-CG 3.25Å; Q218-W222 PolarHBondContact O-N 3.08Å; Q218-W222 VanDerWaalsContact OE1-CH2 3.24Å; F220-W222 PolarHBondContact O-N 3.09Å; W222-D224 PolarHBondContact O-N 2.55Å; W222-D224 VanDerWaalsContact O-N 3.14Å; W222-E225 WeakPolarHBondContact O-CB 3.47Å; W222-E225 PolarHBondContact O-N 3.15Å; W222-W226 PolarHBondContact O-NE1 2.83Å
223V96.7Very high96.3Very high0 Ų034.2 Ų34.20%018%0.177CC..Hα-helixtrans-51.4-41-175.663.20000113F12 F159 T164 F220 E225 W226 I227F12-V223 HydrophobicContact CE1-CB 4.16Å; F12-V223 HydrophobicContact CE1-CG2 3.45Å; F12-V223 VanDerWaalsContact CE1-CG2 3.45Å; F12-V223 HydrophobicContact CZ-CB 4Å; F12-V223 HydrophobicContact CZ-CG2 3.81Å; F159-V223 HydrophobicContact CE1-CG1 3.92Å; F159-V223 HydrophobicContact CZ-CG1 3.92Å; T164-V223 HydrophobicContact CG2-CG2 4.12Å; F220-V223 VanDerWaalsContact O-CB 3.23Å; F220-V223 WeakPolarHBondContact O-CB 3.44Å; F220-V223 WeakPolarHBondContact O-CG1 3.34Å; F220-V223 PolarHBondContact O-N 3.21Å; F220-V223 VanDerWaalsContact O-N 3.07Å; V223-E225 PolarHBondContact O-N 3.23Å; V223-E225 VanDerWaalsContact O-N 3.13Å; V223-W226 HydrophobicContact CB-CZ2 4.28Å; V223-W226 HydrophobicContact CG2-CH2 4.43Å; V223-W226 HydrophobicContact CG2-CZ2 4.15Å; V223-W226 PolarHBondContact O-N 3.05Å; V223-W226 VanDerWaalsContact O-N 3.16Å; V223-I227 HydrophobicContact CG2-CB 3.88Å; V223-I227 HydrophobicContact CG2-CD1 4.17Å; V223-I227 HydrophobicContact CG2-CG1 4.17Å; V223-I227 VanDerWaalsContact O-CB 3.23Å; V223-I227 WeakPolarHBondContact O-CB 3.4Å; V223-I227 WeakPolarHBondContact O-CG2 3.31Å; V223-I227 PolarHBondContact O-N 2.92Å
224D97.2Very high96.3Very high32 Ų3234.2 Ų34.217%0.17118%0.177CC..Hα-helixtrans-64.8-21.6-177.7-69.5-29.8000112.6S161 E162 K163 W222S161-D224 WeakPolarHBondContact CA-OD2 3.39Å; S161-D224 WeakPolarHBondContact CB-OD1 3.4Å; S161-D224 PolarHBondContact OG-OD1 3.41Å; E162-D224 PolarHBondContact N-OD1 2.82Å; E162-D224 PolarHBondContact N-OD2 3.19Å; K163-D224 WeakPolarHBondContact CB-OD1 3.46Å; K163-D224 HydrophobicContact CD-CB 4.25Å; K163-D224 WeakPolarHBondContact CD-O 3.35Å; K163-D224 WeakPolarHBondContact CE-O 3.44Å; K163-D224 HydrophobicContact CG-CB 4.28Å; K163-D224 PolarHBondContact N-OD1 2.88Å; K163-D224 PolarHBondContact NZ-O 2.98Å; W222-D224 PolarHBondContact O-N 2.55Å; W222-D224 VanDerWaalsContact O-N 3.14Å
225E97.7Very high96.3Very high90 Ų9037.1 Ų37.142%0.42119%0.188SC..Hα-helixtrans-80.2-29179.5-58.3178.7-118.300112.4Y23 K27 W222 V223 M229Y23-E225 HydrophobicContact CE1-CB 4.23Å; Y23-E225 HydrophobicContact CE2-CB 4.36Å; Y23-E225 WeakPolarHBondContact OH-CB 3.34Å; Y23-E225 PolarHBondContact OH-OE2 3.27Å; K27-E225 IonicContact NZ-OE1 3.73Å; K27-E225 PolarHBondContact NZ-OE1 2.93Å; K27-E225 IonicContact NZ-OE2 3.6Å; K27-E225 PolarHBondContact NZ-OE2 3.33Å; W222-E225 WeakPolarHBondContact O-CB 3.47Å; W222-E225 PolarHBondContact O-N 3.15Å; V223-E225 PolarHBondContact O-N 3.23Å; V223-E225 VanDerWaalsContact O-N 3.13Å; E225-M229 WeakPolarHBondContact O-CE 3.32Å
226W96.6Very high96.4Very high1 Ų141.5 Ų41.50%0.00421%0.207CC..Hα-helixtrans-123.6-14.2-170.463.5-103.1000115.7F12 Q16 I19 G20 Y23 A219 W222 V223 D228 M229F12-W226 AromaticContact CD1-CH2 3.66Å; F12-W226 HydrophobicContact CD1-CH2 3.66Å; F12-W226 HydrophobicContact CD1-CZ2 4.31Å; F12-W226 AromaticContact CD2-CH2 3.91Å; F12-W226 HydrophobicContact CD2-CH2 3.91Å; F12-W226 HydrophobicContact CD2-CZ2 4.18Å; F12-W226 AromaticContact CE1-CH2 3.49Å; F12-W226 HydrophobicContact CE1-CH2 3.49Å; F12-W226 VanDerWaalsContact CE1-CH2 3.49Å; F12-W226 AromaticContact CE1-CZ2 3.73Å; F12-W226 HydrophobicContact CE1-CZ2 3.73Å; F12-W226 AromaticContact CE2-CH2 3.74Å; F12-W226 HydrophobicContact CE2-CH2 3.74Å; F12-W226 AromaticContact CE2-CZ2 3.55Å; F12-W226 HydrophobicContact CE2-CZ2 3.55Å; F12-W226 AromaticContact CG-CH2 3.9Å; F12-W226 HydrophobicContact CG-CH2 3.9Å; F12-W226 AromaticContact CZ-CH2 3.52Å; F12-W226 HydrophobicContact CZ-CH2 3.52Å; F12-W226 AromaticContact CZ-CZ2 3.29Å; F12-W226 HydrophobicContact CZ-CZ2 3.29Å; Q16-W226 HydrophobicContact CB-CZ3 4.36Å; Q16-W226 VanDerWaalsContact O-CZ3 3.3Å; Q16-W226 WeakPolarHBondContact O-CZ3 3.4Å; I19-W226 HydrophobicContact CG2-CE3 4.36Å; G20-W226 VanDerWaalsContact CA-CD2 3.42Å; G20-W226 VanDerWaalsContact CA-CE3 3.41Å; Y23-W226 HydrophobicContact CD1-CB 3.95Å; Y23-W226 AromaticContact CD1-CD1 3.47Å; Y23-W226 VanDerWaalsContact CD1-CD1 3.47Å; Y23-W226 AromaticContact CD1-CG 3.98Å; Y23-W226 HydrophobicContact CD1-CG 3.98Å; Y23-W226 HydrophobicContact CD2-CB 3.71Å; Y23-W226 AromaticContact CE1-CD1 3.97Å; Y23-W226 HydrophobicContact CE2-CB 4.28Å; Y23-W226 HydrophobicContact CG-CB 3.53Å; Y23-W226 AromaticContact CG-CD1 3.94Å; Y23-W226 AromaticContact CG-CG 3.97Å; Y23-W226 HydrophobicContact CG-CG 3.97Å; A219-W226 WeakPolarHBondContact O-CZ2 3.46Å; A219-W226 PolarHBondContact O-NE1 3.02Å; W222-W226 PolarHBondContact O-NE1 2.83Å; V223-W226 HydrophobicContact CB-CZ2 4.28Å; V223-W226 HydrophobicContact CG2-CH2 4.43Å; V223-W226 HydrophobicContact CG2-CZ2 4.15Å; V223-W226 PolarHBondContact O-N 3.05Å; V223-W226 VanDerWaalsContact O-N 3.16Å; W226-D228 PolarHBondContact O-N 2.97Å; W226-D228 VanDerWaalsContact O-N 3.14Å; W226-M229 HydrophobicContact CB-SD 4.03Å; W226-M229 WeakPolarHBondContact O-CB 2.98Å; W226-M229 PolarHBondContact O-N 2.79Å
227I96Very high96.6Very high26 Ų2643.3 Ų43.313%0.13322%0.215CC..THydrogen-bonded Turntrans-60.8-28.7-171.3-167.961000114.5Q16 K163 T164 V223Q16-I227 HydrophobicContact CB-CD1 4.26Å; Q16-I227 HydrophobicContact CG-CD1 4.21Å; K163-I227 HydrophobicContact CB-CG2 4.18Å; K163-I227 HydrophobicContact CD-CG2 3.71Å; T164-I227 HydrophobicContact CG2-CG1 3.89Å; T164-I227 HydrophobicContact CG2-CG2 4.43Å; V223-I227 HydrophobicContact CG2-CB 3.88Å; V223-I227 HydrophobicContact CG2-CD1 4.17Å; V223-I227 HydrophobicContact CG2-CG1 4.17Å; V223-I227 VanDerWaalsContact O-CB 3.23Å; V223-I227 WeakPolarHBondContact O-CB 3.4Å; V223-I227 WeakPolarHBondContact O-CG2 3.31Å; V223-I227 PolarHBondContact O-N 2.92Å
228D95.8Very high96.5Very high111 Ų11143.8 Ų43.859%0.59422%0.218SC*.THydrogen-bonded Turntrans-98-0.2178.8-54.1-45.5000113K163 W226K163-D228 WeakPolarHBondContact CD-OD2 3.35Å; K163-D228 VanDerWaalsContact CE-OD2 3.28Å; K163-D228 WeakPolarHBondContact CE-OD2 3.29Å; K163-D228 IonicContact NZ-OD2 3.96Å; K163-D228 PolarHBondContact NZ-OD2 2.65Å; W226-D228 PolarHBondContact O-N 2.97Å; W226-D228 VanDerWaalsContact O-N 3.14Å
229M97.2Very high96.5Very high43 Ų4348.6 Ų48.621%0.21224%0.236CC..  trans-67.3144.6177.4-71.7-178.4169.500110.1I19 Y23 E225 W226 E233 V234I19-M229 WeakPolarHBondContact CD1-O 3.15Å; I19-M229 HydrophobicContact CG2-CB 3.92Å; Y23-M229 HydrophobicContact CD2-CE 3.91Å; Y23-M229 HydrophobicContact CD2-SD 3.77Å; Y23-M229 HydrophobicContact CE2-CE 3.79Å; Y23-M229 HydrophobicContact CE2-SD 4.26Å; E225-M229 WeakPolarHBondContact O-CE 3.32Å; W226-M229 HydrophobicContact CB-SD 4.03Å; W226-M229 WeakPolarHBondContact O-CB 2.98Å; W226-M229 PolarHBondContact O-N 2.79Å; M229-E233 WeakPolarHBondContact CA-OE2 3.37Å; M229-E233 HydrophobicContact CB-CB 4.3Å; M229-E233 HydrophobicContact CG-CB 4.44Å; M229-V234 HydrophobicContact SD-CB 4.24Å; M229-V234 HydrophobicContact SD-CG2 4.43Å
230T96.9Very high96.6Very high72 Ų7251.8 Ų51.844%0.44226%0.255SS..  trans-79.9165.2163.561.60000110.7D232 E233 V234T230-D232 PolarHBondContact O-N 3.14Å; T230-E233 WeakPolarHBondContact CG2-OE2 3.3Å; T230-E233 PolarHBondContact N-OE2 3.11Å; T230-E233 PolarHBondContact O-N 3.35Å; T230-E233 WeakPolarHBondContact OG1-CB 3.35Å; T230-E233 VanDerWaalsContact OG1-CG 3.26Å; T230-E233 WeakPolarHBondContact OG1-CG 3.02Å; T230-E233 PolarHBondContact OG1-N 3.1Å; T230-E233 PolarHBondContact OG1-OE2 3.34Å; T230-V234 PolarHBondContact O-N 2.71Å; T230-V234 VanDerWaalsContact O-N 3.08Å
231M94.4Very high96.7Very high56 Ų5653.3 Ų53.328%0.27626%0.263SS..Hα-helixtrans-58-35.7172.3-76.9-61.3-45.800112.1R18 I19 L22 V234 R235R18-M231 HydrophobicContact CG-SD 4.16Å; I19-M231 HydrophobicContact CD1-CG 4.43Å; I19-M231 HydrophobicContact CD1-SD 4.23Å; I19-M231 HydrophobicContact CG1-CG 4.33Å; I19-M231 HydrophobicContact CG1-SD 3.51Å; I19-M231 VanDerWaalsContact CG1-SD 3.51Å; L22-M231 HydrophobicContact CD1-CE 3.77Å; M231-V234 HydrophobicContact CE-CG1 4.43Å; M231-V234 VanDerWaalsContact O-CG1 3.3Å; M231-V234 WeakPolarHBondContact O-CG1 3.31Å; M231-R235 WeakPolarHBondContact O-CB 3.35Å; M231-R235 WeakPolarHBondContact O-CG 3.39Å; M231-R235 PolarHBondContact O-N 3.11Å; M231-R235 VanDerWaalsContact O-N 3.16Å
232D96.3Very high96.6Very high132 Ų13254.9 Ų54.971%0.70627%0.269SS*.Hα-helixtrans-71.1-42.3179.9-66.7-19.1000111.5T230 V234 R235 E236T230-D232 PolarHBondContact O-N 3.14Å; D232-V234 PolarHBondContact O-N 2.81Å; D232-R235 PolarHBondContact O-N 3.01Å; D232-E236 PolarHBondContact O-N 2.65Å
233E97.9Very high96.4Very high103 Ų10358.7 Ų58.748%0.48129%0.287SS..Hα-helixtrans-63.4-42.1177.3-73.8165.4145.300112.2M229 T230 R235 E236 F237M229-E233 WeakPolarHBondContact CA-OE2 3.37Å; M229-E233 HydrophobicContact CB-CB 4.3Å; M229-E233 HydrophobicContact CG-CB 4.44Å; T230-E233 WeakPolarHBondContact CG2-OE2 3.3Å; T230-E233 PolarHBondContact N-OE2 3.11Å; T230-E233 PolarHBondContact O-N 3.35Å; T230-E233 WeakPolarHBondContact OG1-CB 3.35Å; T230-E233 VanDerWaalsContact OG1-CG 3.26Å; T230-E233 WeakPolarHBondContact OG1-CG 3.02Å; T230-E233 PolarHBondContact OG1-N 3.1Å; T230-E233 PolarHBondContact OG1-OE2 3.34Å; E233-R235 VanDerWaalsContact C-N 3.31Å; E233-R235 PolarHBondContact O-N 2.85Å; E233-E236 PolarHBondContact O-N 3.09Å; E233-F237 WeakPolarHBondContact O-CB 3.42Å; E233-F237 PolarHBondContact O-N 2.96Å
234V97.3Very high96.4Very high0 Ų060.3 Ų60.30%030%0.301CS..Hα-helixtrans-70.2-29.4177.8730000112.3I19 L22 M229 T230 M231 D232 F237 E238I19-V234 HydrophobicContact CG2-CB 3.94Å; I19-V234 HydrophobicContact CG2-CG1 4Å; I19-V234 HydrophobicContact CG2-CG2 4.19Å; L22-V234 HydrophobicContact CB-CG1 4.45Å; L22-V234 HydrophobicContact CB-CG2 3.81Å; L22-V234 HydrophobicContact CD1-CG1 4.04Å; M229-V234 HydrophobicContact SD-CB 4.24Å; M229-V234 HydrophobicContact SD-CG2 4.43Å; T230-V234 PolarHBondContact O-N 2.71Å; T230-V234 VanDerWaalsContact O-N 3.08Å; M231-V234 HydrophobicContact CE-CG1 4.43Å; M231-V234 VanDerWaalsContact O-CG1 3.3Å; M231-V234 WeakPolarHBondContact O-CG1 3.31Å; D232-V234 PolarHBondContact O-N 2.81Å; V234-F237 PolarHBondContact O-N 2.79Å; V234-E238 WeakPolarHBondContact O-CB 3.47Å; V234-E238 PolarHBondContact O-N 2.95Å
235R95.6Very high96.3Very high70 Ų7058.9 Ų58.926%0.26429%0.293SS..Hα-helixtrans-69.9-39.1173.1-73.3-63.8-168.6176.68.3112.1M231 D232 E233 F237 E238 R239M231-R235 WeakPolarHBondContact O-CB 3.35Å; M231-R235 WeakPolarHBondContact O-CG 3.39Å; M231-R235 PolarHBondContact O-N 3.11Å; M231-R235 VanDerWaalsContact O-N 3.16Å; D232-R235 PolarHBondContact O-N 3.01Å; E233-R235 VanDerWaalsContact C-N 3.31Å; E233-R235 PolarHBondContact O-N 2.85Å; R235-F237 VanDerWaalsContact C-N 3.35Å; R235-E238 VanDerWaalsContact CD-OE2 3.32Å; R235-E238 WeakPolarHBondContact CD-OE2 3.43Å; R235-E238 IonicContact CZ-OE2 2.83Å; R235-E238 IonicContact NE-OE2 2.87Å; R235-E238 IonicContact NH1-OE1 2.61Å; R235-E238 IonicContact NH1-OE2 2.91Å; R235-E238 PolarHBondContact NH1-OE2 3.01Å; R235-E238 PolarHBondContact O-N 2.84Å; R235-R239 WeakPolarHBondContact O-CB 3.38Å; R235-R239 PolarHBondContact O-N 3.44Å
236E97.1Very high96.2Very high96 Ų9656.9 Ų56.945%0.44929%0.285SS..Hα-helixtrans-66.4-39.3173.8178.361.1-177.100111.8D232 E233 R239 T240D232-E236 PolarHBondContact O-N 2.65Å; E233-E236 PolarHBondContact O-N 3.09Å; E236-R239 PolarHBondContact O-N 3.41Å; E236-R239 IonicContact OE1-CZ 2.76Å; E236-R239 IonicContact OE1-NH2 3.5Å; E236-R239 PolarHBondContact OE1-NH2 3.1Å; E236-R239 IonicContact OE2-CZ 3.76Å; E236-R239 VanDerWaalsContact OE2-CZ 3.3Å; E236-R239 IonicContact OE2-NE 2.73Å; E236-R239 PolarHBondContact OE2-NE 3.42Å; E236-R239 IonicContact OE2-NH2 3.89Å; E236-R239 PolarHBondContact OE2-NH2 2.92Å; E236-T240 WeakPolarHBondContact O-CB 3.5Å; E236-T240 PolarHBondContact O-N 2.93Å; E236-T240 PolarHBondContact O-OG1 3.42Å
237F97.7Very high96Very high44 Ų4464 Ų6419%0.19332%0.319CS..Hα-helixtrans-60.7-50.2170.9178.9-93.8000111.6Y23 K27 E233 V234 R235 R239 T240 I241Y23-F237 AromaticContact CD2-CD1 3.67Å; Y23-F237 HydrophobicContact CD2-CD1 3.67Å; Y23-F237 HydrophobicContact CD2-CD2 4.44Å; Y23-F237 AromaticContact CD2-CE1 3.48Å; Y23-F237 HydrophobicContact CD2-CE1 3.48Å; Y23-F237 VanDerWaalsContact CD2-CE1 3.48Å; Y23-F237 HydrophobicContact CD2-CE2 4.28Å; Y23-F237 HydrophobicContact CD2-CG 4.15Å; Y23-F237 AromaticContact CD2-CZ 3.81Å; Y23-F237 HydrophobicContact CD2-CZ 3.81Å; Y23-F237 HydrophobicContact CE2-CD1 4.02Å; Y23-F237 HydrophobicContact CE2-CD2 4.09Å; Y23-F237 AromaticContact CE2-CE1 3.55Å; Y23-F237 HydrophobicContact CE2-CE1 3.55Å; Y23-F237 AromaticContact CE2-CE2 3.63Å; Y23-F237 HydrophobicContact CE2-CE2 3.63Å; Y23-F237 HydrophobicContact CE2-CG 4.26Å; Y23-F237 AromaticContact CE2-CZ 3.33Å; Y23-F237 HydrophobicContact CE2-CZ 3.33Å; Y23-F237 HydrophobicContact CG-CD1 4.42Å; Y23-F237 HydrophobicContact CG-CE1 4.06Å; Y23-F237 AromaticContact CZ-CZ 3.73Å; K27-F237 HydrophobicContact CB-CE1 4.31Å; K27-F237 HydrophobicContact CB-CZ 4.19Å; E233-F237 WeakPolarHBondContact O-CB 3.42Å; E233-F237 PolarHBondContact O-N 2.96Å; V234-F237 PolarHBondContact O-N 2.79Å; R235-F237 VanDerWaalsContact C-N 3.35Å; F237-R239 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 3.17Å; F237-T240 PolarHBondContact O-N 2.83Å; F237-I241 HydrophobicContact CD1-CG1 4.09Å; F237-I241 HydrophobicContact CD2-CG1 4Å; F237-I241 HydrophobicContact CE1-CG1 3.79Å; F237-I241 HydrophobicContact CE2-CD1 4.04Å; F237-I241 HydrophobicContact CE2-CG1 3.69Å; F237-I241 HydrophobicContact CG-CG1 4.2Å; F237-I241 HydrophobicContact CZ-CD1 4.15Å; F237-I241 HydrophobicContact CZ-CG1 3.58Å; F237-I241 WeakPolarHBondContact O-CB 3.5Å; F237-I241 VanDerWaalsContact O-CG1 3.28Å; F237-I241 WeakPolarHBondContact O-CG1 3.34Å; F237-I241 PolarHBondContact O-N 2.82Å
238E95.9Very high95.9Very high21 Ų2166.5 Ų66.510%0.09833%0.328CS..Hα-helixtrans-52.7-50.3176.6173.7-180-125.300110.9S26 V234 R235 T240 I241 Q242S26-E238 WeakPolarHBondContact OG-CA 2.84Å; S26-E238 WeakPolarHBondContact OG-CB 3.28Å; V234-E238 WeakPolarHBondContact O-CB 3.47Å; V234-E238 PolarHBondContact O-N 2.95Å; R235-E238 VanDerWaalsContact CD-OE2 3.32Å; R235-E238 WeakPolarHBondContact CD-OE2 3.43Å; R235-E238 IonicContact CZ-OE2 2.83Å; R235-E238 IonicContact NE-OE2 2.87Å; R235-E238 IonicContact NH1-OE1 2.61Å; R235-E238 IonicContact NH1-OE2 2.91Å; R235-E238 PolarHBondContact NH1-OE2 3.01Å; R235-E238 PolarHBondContact O-N 2.84Å; E238-T240 PolarHBondContact O-N 2.8Å; E238-I241 PolarHBondContact O-N 2.91Å; E238-Q242 WeakPolarHBondContact O-CB 3.17Å; E238-Q242 PolarHBondContact O-N 3.48Å
239R95.4Very high95.6Very high104 Ų10461.4 Ų61.439%0.39230%0.301SS..Hα-helixtrans-59.7-49.3179.1-171.8-17463.972.4-2.4112.2R235 E236 F237 Q242 E243R235-R239 WeakPolarHBondContact O-CB 3.38Å; R235-R239 PolarHBondContact O-N 3.44Å; E236-R239 PolarHBondContact O-N 3.41Å; E236-R239 IonicContact OE1-CZ 2.76Å; E236-R239 IonicContact OE1-NH2 3.5Å; E236-R239 PolarHBondContact OE1-NH2 3.1Å; E236-R239 IonicContact OE2-CZ 3.76Å; E236-R239 VanDerWaalsContact OE2-CZ 3.3Å; E236-R239 IonicContact OE2-NE 2.73Å; E236-R239 PolarHBondContact OE2-NE 3.42Å; E236-R239 IonicContact OE2-NH2 3.89Å; E236-R239 PolarHBondContact OE2-NH2 2.92Å; F237-R239 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 3.17Å; R239-Q242 PolarHBondContact O-N 2.91Å; R239-E243 WeakPolarHBondContact CG-OE1 3.21Å; R239-E243 IonicContact CZ-OE1 3.41Å; R239-E243 IonicContact NH1-OE1 2.75Å; R239-E243 PolarHBondContact NH1-OE1 3.06Å; R239-E243 IonicContact NH1-OE2 3.32Å; R239-E243 WeakPolarHBondContact O-CG 3.37Å; R239-E243 PolarHBondContact O-N 2.61Å
240T97.1Very high95.1Very high66 Ų6660.8 Ų60.841%0.40531%0.306SS..Hα-helixtrans-62.8-46.1-178.6-59.70000111.7E236 F237 E238 E243 A244E236-T240 WeakPolarHBondContact O-CB 3.5Å; E236-T240 PolarHBondContact O-N 2.93Å; E236-T240 PolarHBondContact O-OG1 3.42Å; F237-T240 PolarHBondContact O-N 2.83Å; E238-T240 PolarHBondContact O-N 2.8Å; T240-E243 PolarHBondContact O-N 2.86Å; T240-A244 WeakPolarHBondContact O-CB 3.43Å; T240-A244 PolarHBondContact O-N 2.88Å
241I96.6Very high93.8Very high33 Ų3364.4 Ų64.417%0.16933%0.328CS..Hα-helixtrans-71.6-36.1-178.9-64.2-60000111.2S26 H30 F237 E238 A244 T245S26-I241 VanDerWaalsContact O-CG2 3.22Å; S26-I241 WeakPolarHBondContact O-CG2 3.45Å; H30-I241 HydrophobicContact CB-CG2 3.58Å; F237-I241 HydrophobicContact CD1-CG1 4.09Å; F237-I241 HydrophobicContact CD2-CG1 4Å; F237-I241 HydrophobicContact CE1-CG1 3.79Å; F237-I241 HydrophobicContact CE2-CD1 4.04Å; F237-I241 HydrophobicContact CE2-CG1 3.69Å; F237-I241 HydrophobicContact CG-CG1 4.2Å; F237-I241 HydrophobicContact CZ-CD1 4.15Å; F237-I241 HydrophobicContact CZ-CG1 3.58Å; F237-I241 WeakPolarHBondContact O-CB 3.5Å; F237-I241 VanDerWaalsContact O-CG1 3.28Å; F237-I241 WeakPolarHBondContact O-CG1 3.34Å; F237-I241 PolarHBondContact O-N 2.82Å; E238-I241 PolarHBondContact O-N 2.91Å; I241-A244 PolarHBondContact O-N 2.83Å; I241-T245 VanDerWaalsContact O-CB 3.3Å; I241-T245 WeakPolarHBondContact O-CB 3.4Å; I241-T245 PolarHBondContact O-N 3.17Å; I241-T245 PolarHBondContact O-OG1 3.27Å
242Q94.6Very high92.4Very high41 Ų4164.7 Ų64.719%0.19233%0.327CS..Hα-helixtrans-58.8-51172.7172.9177.9-22.100111.2V41 N44 E238 R239 A244 T245 N246V41-Q242 HydrophobicContact CB-CG 3.65Å; V41-Q242 VanDerWaalsContact CB-NE2 3.33Å; V41-Q242 VanDerWaalsContact CG1-CD 3.45Å; V41-Q242 HydrophobicContact CG1-CG 4.18Å; V41-Q242 HydrophobicContact CG2-CG 3.69Å; N44-Q242 PolarHBondContact ND2-OE1 2.92Å; E238-Q242 WeakPolarHBondContact O-CB 3.17Å; E238-Q242 PolarHBondContact O-N 3.48Å; R239-Q242 PolarHBondContact O-N 2.91Å; Q242-A244 VanDerWaalsContact C-N 3.34Å; Q242-A244 PolarHBondContact O-N 2.87Å; Q242-T245 PolarHBondContact O-N 3.05Å; Q242-N246 PolarHBondContact O-N 2.83Å
243E94.8Very high90.5Very high91 Ų9163.2 Ų63.243%0.42533%0.325SS..Hα-helixtrans-58.2-46.9177.8-73.7171.1-158.700111.3R239 T240 T245 N246 Q247R239-E243 WeakPolarHBondContact CG-OE1 3.21Å; R239-E243 IonicContact CZ-OE1 3.41Å; R239-E243 IonicContact NH1-OE1 2.75Å; R239-E243 PolarHBondContact NH1-OE1 3.06Å; R239-E243 IonicContact NH1-OE2 3.32Å; R239-E243 WeakPolarHBondContact O-CG 3.37Å; R239-E243 PolarHBondContact O-N 2.61Å; T240-E243 PolarHBondContact O-N 2.86Å; E243-T245 VanDerWaalsContact C-N 3.32Å; E243-T245 PolarHBondContact O-N 3.14Å; E243-N246 PolarHBondContact O-N 3.01Å; E243-Q247 VanDerWaalsContact O-CG 3.29Å; E243-Q247 WeakPolarHBondContact O-CG 3.34Å; E243-Q247 PolarHBondContact O-N 3.48Å
244A96.1Very high88.2Confident35 Ų3564.4 Ų64.429%0.28934%0.342SS..Hα-helixtrans-62.4-37.9176.800000112.6T240 I241 Q242 Q247 K248T240-A244 WeakPolarHBondContact O-CB 3.43Å; T240-A244 PolarHBondContact O-N 2.88Å; I241-A244 PolarHBondContact O-N 2.83Å; Q242-A244 VanDerWaalsContact C-N 3.34Å; Q242-A244 PolarHBondContact O-N 2.87Å; A244-Q247 PolarHBondContact O-N 3.01Å; A244-K248 WeakPolarHBondContact O-CB 3.24Å; A244-K248 PolarHBondContact O-N 2.58Å
245T95.2Very high86Confident1 Ų166.4 Ų66.41%0.00636%0.356CS..Hα-helixtrans-67.1-47.1178-56.70000111.3H30 V39 I241 Q242 E243 Q247 K248 I249H30-T245 WeakPolarHBondContact CA-OG1 3.36Å; H30-T245 WeakPolarHBondContact CB-OG1 3.35Å; H30-T245 PolarHBondContact ND1-OG1 3.14Å; V39-T245 WeakPolarHBondContact O-CG2 3.13Å; I241-T245 VanDerWaalsContact O-CB 3.3Å; I241-T245 WeakPolarHBondContact O-CB 3.4Å; I241-T245 PolarHBondContact O-N 3.17Å; I241-T245 PolarHBondContact O-OG1 3.27Å; Q242-T245 PolarHBondContact O-N 3.05Å; E243-T245 VanDerWaalsContact C-N 3.32Å; E243-T245 PolarHBondContact O-N 3.14Å; T245-Q247 VanDerWaalsContact C-N 3.3Å; T245-Q247 PolarHBondContact O-N 2.98Å; T245-K248 WeakPolarHBondContact O-CB 3.41Å; T245-K248 PolarHBondContact O-N 3.13Å; T245-K248 VanDerWaalsContact O-N 3.13Å; T245-I249 HydrophobicContact CG2-CD1 4.18Å; T245-I249 WeakPolarHBondContact O-CG1 3.29Å; T245-I249 PolarHBondContact O-N 3.02Å
246N94.6Very high83.6Confident48 Ų4870.7 Ų70.726%0.25738%0.382SS..Hα-helixtrans-61-40.2177-75.64.5000111.4E40 V41 Q242 E243 G250E40-N246 WeakPolarHBondContact CA-OD1 3.43Å; V41-N246 PolarHBondContact N-OD1 2.91Å; V41-N246 PolarHBondContact O-ND2 2.95Å; Q242-N246 PolarHBondContact O-N 2.83Å; E243-N246 PolarHBondContact O-N 3.01Å; N246-G250 PolarHBondContact O-N 3.03Å
247Q93.9Very high81.1Confident152 Ų15270.5 Ų70.571%0.7139%0.391SS*.Hα-helixtrans-63.4-42.2173.7-71.4173.923.100112.5E243 A244 T245 I249 G250E243-Q247 VanDerWaalsContact O-CG 3.29Å; E243-Q247 WeakPolarHBondContact O-CG 3.34Å; E243-Q247 PolarHBondContact O-N 3.48Å; A244-Q247 PolarHBondContact O-N 3.01Å; T245-Q247 VanDerWaalsContact C-N 3.3Å; T245-Q247 PolarHBondContact O-N 2.98Å; Q247-I249 VanDerWaalsContact C-N 3.35Å; Q247-I249 PolarHBondContact O-N 3.5Å; Q247-G250 PolarHBondContact O-N 3.19Å
248K93.3Very high78.5Confident77 Ų7775.9 Ų75.934%0.33542%0.421SS..Hα-helixtrans-61.5-41.9179.2-171.9-177.9-171.9-171.60112.1H30 S33 R35 A244 T245 G250H30-K248 PolarHBondContact O-NZ 2.95Å; H30-K248 VanDerWaalsContact O-NZ 3.1Å; S33-K248 WeakPolarHBondContact O-CD 3.41Å; S33-K248 WeakPolarHBondContact O-CE 3.42Å; S33-K248 PolarHBondContact O-NZ 3.38Å; R35-K248 WeakPolarHBondContact CA-O 3.41Å; A244-K248 WeakPolarHBondContact O-CB 3.24Å; A244-K248 PolarHBondContact O-N 2.58Å; T245-K248 WeakPolarHBondContact O-CB 3.41Å; T245-K248 PolarHBondContact O-N 3.13Å; T245-K248 VanDerWaalsContact O-N 3.13Å; K248-G250 VanDerWaalsContact C-N 3.34Å
249I90.1Very high75.8Confident4 Ų479.2 Ų79.22%0.02145%0.446CS..Hα-helixtrans-65.4-40.7177.9-70.9174.5000111G36 V39 E40 Y63 T245 Q247 F252G36-I249 PolarHBondContact N-O 3.22Å; V39-I249 WeakPolarHBondContact O-CD1 3.47Å; E40-I249 HydrophobicContact CB-CD1 4.27Å; Y63-I249 HydrophobicContact CD2-CG2 4.45Å; T245-I249 HydrophobicContact CG2-CD1 4.18Å; T245-I249 WeakPolarHBondContact O-CG1 3.29Å; T245-I249 PolarHBondContact O-N 3.02Å; Q247-I249 VanDerWaalsContact C-N 3.35Å; Q247-I249 PolarHBondContact O-N 3.5Å; I249-F252 HydrophobicContact CG2-CD2 4.2Å; I249-F252 HydrophobicContact CG2-CE2 3.24Å; I249-F252 HydrophobicContact CG2-CZ 3.84Å
250G85.3Confident73.4Confident30 Ų3083.2 Ų83.231%0.30947%0.469SS..  trans84.3179.4179.800000113.5N246 Q247 K248N246-G250 PolarHBondContact O-N 3.03Å; Q247-G250 PolarHBondContact O-N 3.19Å; K248-G250 VanDerWaalsContact C-N 3.34Å
251V69.8Low70.5Confident149 Ų14985.9 Ų85.990%0.90349%0.485SS*.PPolyproline II helixtrans-82.5123.7-175.1-1740000110.5
252F66.1Low67.8Low61 Ų6189.9 Ų89.927%0.26851%0.514SS..PPolyproline II helixtrans-92.3139.7166.4-65.2-82000110.7G36 Y63 I249G36-F252 VanDerWaalsContact CA-CZ 3.44Å; Y63-F252 HydrophobicContact CD1-CE1 4.22Å; Y63-F252 AromaticContact CD1-CE2 3.95Å; Y63-F252 HydrophobicContact CD1-CE2 3.95Å; Y63-F252 AromaticContact CD1-CZ 3.75Å; Y63-F252 HydrophobicContact CD1-CZ 3.75Å; Y63-F252 AromaticContact CD2-CE2 3.58Å; Y63-F252 HydrophobicContact CD2-CE2 3.58Å; Y63-F252 AromaticContact CD2-CZ 3.86Å; Y63-F252 HydrophobicContact CD2-CZ 3.86Å; Y63-F252 HydrophobicContact CE1-CD1 4.45Å; Y63-F252 AromaticContact CE1-CD2 3.88Å; Y63-F252 HydrophobicContact CE1-CD2 3.88Å; Y63-F252 HydrophobicContact CE1-CE1 4.32Å; Y63-F252 AromaticContact CE1-CE2 3.69Å; Y63-F252 HydrophobicContact CE1-CE2 3.69Å; Y63-F252 HydrophobicContact CE1-CG 4.22Å; Y63-F252 AromaticContact CE1-CZ 3.91Å; Y63-F252 HydrophobicContact CE1-CZ 3.91Å; Y63-F252 AromaticContact CE2-CD2 3.85Å; Y63-F252 HydrophobicContact CE2-CD2 3.85Å; Y63-F252 AromaticContact CE2-CE2 3.3Å; Y63-F252 HydrophobicContact CE2-CE2 3.3Å; Y63-F252 HydrophobicContact CE2-CZ 4.02Å; Y63-F252 AromaticContact CG-CE2 3.89Å; Y63-F252 HydrophobicContact CG-CE2 3.89Å; Y63-F252 AromaticContact CG-CZ 3.72Å; Y63-F252 HydrophobicContact CG-CZ 3.72Å; Y63-F252 AromaticContact CZ-CD2 3.48Å; Y63-F252 VanDerWaalsContact CZ-CD2 3.48Å; Y63-F252 AromaticContact CZ-CE2 3.35Å; I249-F252 HydrophobicContact CG2-CD2 4.2Å; I249-F252 HydrophobicContact CG2-CE2 3.24Å; I249-F252 HydrophobicContact CG2-CZ 3.84Å
253P55.3Low65.2Low102 Ų10296.4 Ų96.466%0.66255%0.549SS*.PPolyproline II helixtrans-61.1140.9167.526.3-31.2000108.9S255P253-S255 PolarHBondContact O-N 3.41Å
254P49.6Very low62.4Low127 Ų12797.2 Ų97.283%0.82557%0.565SS**PPolyproline II helixtrans-57.5118.9-177.821.8-31.3000109.8I256P254-I256 PolarHBondContact O-N 2.82Å
255S52.4Low60Low43 Ų43101.2 Ų101.230%0.30159%0.59SS.*PPolyproline II helixtrans-64.9127.6169.857.70000108.4Y81 P253 S257Y81-S255 WeakPolarHBondContact CE1-OG 3.37Å; Y81-S255 PolarHBondContact OH-OG 2.88Å; P253-S255 PolarHBondContact O-N 3.41Å; S255-S257 PolarHBondContact O-N 2.92Å
256I44.7Very low57.2Low160 Ų160106.2 Ų106.282%0.82162%0.624SS**  trans-53.9108.2176.1-61168.5000108.2P254 I258P254-I256 PolarHBondContact O-N 2.82Å; I256-I258 PolarHBondContact O-N 3.28Å
257S43.4Very low54.7Low91 Ų91108.9 Ų108.964%0.63665%0.653SS**  trans-77.6118168-63.60000106.9S255 S259S255-S257 PolarHBondContact O-N 2.92Å; S257-S259 PolarHBondContact O-N 3.48Å
258I43.9Very low52.1Low158 Ų158109.3 Ų109.381%0.8166%0.66SS**  trans-75.590166.8-56.5174000105.3I256 E260I256-I258 PolarHBondContact O-N 3.28Å; I258-E260 PolarHBondContact O-N 3.44Å
259S39.8Very low49.6Very low90 Ų90112.7 Ų112.763%0.62969%0.687SS**  trans-67.2125.1162.938.80000107.7S257 T261S257-S259 PolarHBondContact O-N 3.48Å; S259-T261 PolarHBondContact O-N 3.48Å
260E45.6Very low47.3Very low188 Ų188115.5 Ų115.588%0.87972%0.717SS**  trans-58.4104.6167.4-71-172164.500107.7I258 P262I258-E260 PolarHBondContact O-N 3.44Å; E260-P262 WeakPolarHBondContact O-CD 3.47Å
261T35.1Very low45.3Very low122 Ų122120.2 Ų120.275%0.74874%0.742SS**  trans-77.2121.5174.5-9.90000106.5S259 L263S259-T261 PolarHBondContact O-N 3.48Å; T261-L263 PolarHBondContact O-N 2.93Å
262P40.7Very low43.9Very low117 Ų117118.1 Ų118.176%0.7674%0.74SS**  trans-63.1125.2172.625.5-30.8000107.8E260 S264E260-P262 WeakPolarHBondContact O-CD 3.47Å; P262-S264 PolarHBondContact O-N 3.36Å
263L39.7Very low42.7Very low178 Ų178120.7 Ų120.793%0.93277%0.766SS**  trans-57.7107.4174.9-83.1159000108.7T261 S265T261-L263 PolarHBondContact O-N 2.93Å; L263-S265 PolarHBondContact O-N 3.42Å
264S35Very low42.1Very low108 Ų108120 Ų12076%0.75577%0.769SS**  trans-67.8122.8174.9-154.90000108.9P262 C266P262-S264 PolarHBondContact O-N 3.36Å; S264-C266 PolarHBondContact O-N 3.06Å
265S46.6Very low41.6Very low119 Ų119120 Ų12083%0.83277%0.769SS**  trans-70.491.9177.956.70000110.3L263L263-S265 PolarHBondContact O-N 3.42Å
266C35.4Very low41.1Very low106 Ų106123.4 Ų123.472%0.71679%0.793SS**  trans-112.3109.5164.2-73.30000109.4S264 L268S264-C266 PolarHBondContact O-N 3.06Å; C266-L268 PolarHBondContact O-N 3Å
267A42Very low41Very low105 Ų105122 Ų12287%0.86879%0.792SS**  trans-60.7121.8168.600000109.9
268L39.6Very low40.7Very low161 Ų161123.2 Ų123.284%0.84380%0.797SS**  trans-132.8109.8165.9-86.8163.5000108.8C266 G270C266-L268 PolarHBondContact O-N 3Å; L268-G270 PolarHBondContact O-N 3.19Å
269T42Very low40.4Very low148 Ų148124.2 Ų124.291%0.90880%0.801SS**  trans-61.9117.6163.542.50000110.1
270G41.4Very low40.3Very low63 Ų63125.2 Ų125.265%0.64981%0.806SS**  trans-175.8145.8172.600000111L268L268-G270 PolarHBondContact O-N 3.19Å
271P42.4Very low40.5Very low128 Ų128122.1 Ų122.183%0.83180%0.801SS**  trans-76.6140.9-160.730.4-32.6000112.9S273P271-S273 PolarHBondContact O-N 2.9Å
272A40.9Very low40.7Very low105 Ų105123.5 Ų123.587%0.86880%0.803SS**  trans-58.3126.6176.500000111.7
273S39.9Very low40.6Very low116 Ų116122.1 Ų122.181%0.81180%0.802SS**  trans-128.7103.3164-660000107.8P271P271-S273 PolarHBondContact O-N 2.9Å
274A43.1Very low40.7Very low88 Ų88119.6 Ų119.673%0.72780%0.796SS**PPolyproline II helixtrans-73.6138.8172.600000109.9S276A274-S276 PolarHBondContact O-N 3.36Å
275P39.3Very low41.2Very low126 Ų126123.9 Ų123.982%0.81880%0.804SS**PPolyproline II helixtrans-74.5122.2170.129.9-30.9000109.3
276S42.6Very low40.7Very low115 Ų115123 Ų12380%0.80480%0.798SS**PPolyproline II helixtrans-81.6132.7173.3-59.40000110.3A274A274-S276 PolarHBondContact O-N 3.36Å
277T41.6Very low40.7Very low131 Ų131125.7 Ų125.780%0.80481%0.805SS**PPolyproline II helixtrans-67.7128.4171.6-40.60000110.2M279T277-M279 PolarHBondContact O-N 2.95Å
278P37Very low40.6Very low115 Ų115126.4 Ų126.475%0.74780%0.803SS**PPolyproline II helixtrans-82.3116.4168.830.2-28.7000109.8C280P278-C280 PolarHBondContact O-N 3.39Å
279M38.3Very low40.7Very low179 Ų179125 Ų12588%0.88280%0.801SS**  trans-78.6104.7160.5-65.6-128.18700107.8T277T277-M279 PolarHBondContact O-N 2.95Å
280C37.7Very low40.7Very low111 Ų111123.7 Ų123.775%0.7580%0.795SS**  trans-127.7100.5164.9-162.70000107.9P278 D282P278-C280 PolarHBondContact O-N 3.39Å; C280-D282 PolarHBondContact O-N 3.46Å
281T49.1Very low41Very low124 Ų124130 Ų13076%0.76180%0.804SS**  trans-84.990.9166.345.10000107.4
282D39.3Very low40.8Very low150 Ų150131.3 Ų131.380%0.80281%0.805SS**  trans-161.8133.6155-89.6-33.6000109.8C280C280-D282 PolarHBondContact O-N 3.46Å
283A39.2Very low40.8Very low88 Ų88138 Ų13873%0.72781%0.807SS**  trans-82.3138.5-179.200000110.6E285A283-E285 PolarHBondContact O-N 3.4Å
284P42.6Very low40.7Very low125 Ų125138 Ų13881%0.81281%0.805SS**  trans-72.4118.7177.726.5-30.5000111.3S286P284-S286 PolarHBondContact O-N 3.48Å; P284-S286 VanDerWaalsContact O-N 3.17Å
285E44.7Very low40.3Very low198 Ų198145.8 Ų145.893%0.92582%0.815SS**  trans-72.296.4168.1-78.5-176144.600110.5A283A283-E285 PolarHBondContact O-N 3.4Å
286S36.8Very low40.2Very low102 Ų102148.9 Ų148.971%0.71382%0.816SS**  trans-166.6147.5145.852.10000109.7P284P284-S286 PolarHBondContact O-N 3.48Å; P284-S286 VanDerWaalsContact O-N 3.17Å
287L35.9Very low40.3Very low162 Ų162153.2 Ų153.285%0.84882%0.82SS**  trans95.470-172-47.6-175.6000114.3V289L287-V289 PolarHBondContact O-N 2.99Å
288S38.4Very low40Very low119 Ų119152.1 Ų152.183%0.83282%0.818SS**PPolyproline II helixtrans-54.3121.9160.9470000112
289V43.1Very low39.9Very low133 Ų133151 Ų15181%0.80682%0.818SS**PPolyproline II helixtrans-76.5130.4174.3178.10000110.4L287 K291L287-V289 PolarHBondContact O-N 2.99Å; V289-K291 PolarHBondContact O-N 3.17Å
290P42.2Very low39.8Very low119 Ų119148.2 Ų148.277%0.77381%0.813SS**PPolyproline II helixtrans-67.2122.5167.5-20.533.2000111.5
291K46.2Very low40.2Very low196 Ų196152 Ų15285%0.85282%0.82SS**PPolyproline II helixtrans-70.6144.7163-102.9174.4174.6172.30109.5V289V289-K291 PolarHBondContact O-N 3.17Å
292D38.4Very low39.8Very low156 Ų156151.8 Ų151.883%0.83482%0.819SS**  trans91.892.7171.8-58.5-26.5000118.2
293R41.6Very low39.5Very low244 Ų244152.6 Ų152.692%0.92182%0.822SS**  trans-146.2146.2136.8-115.5-178-164.9-172.25.1112.1
294P36.5Very low39.2Very low117 Ų117155 Ų15576%0.7683%0.828SS**  trans-67.8143.8-169.6-16.729.9000114.1K296P294-K296 PolarHBondContact O-N 3.29Å
295R35.8Very low39Very low251 Ų251156.4 Ų156.495%0.94783%0.828SS**  trans-63.4104.7177-156.1173.9-174.4166.70.8110.5
296K36.6Very low38.7Very low191 Ų191153 Ų15383%0.8382%0.823SS**  trans-85.1118.3165.1-75.2-173.4176.8-177.50109P294 S298P294-K296 PolarHBondContact O-N 3.29Å; K296-S298 PolarHBondContact O-N 3.4Å
297K45.4Very low38.8Very low206 Ų206156.5 Ų156.590%0.89683%0.828SS**  trans-66.9121165.3-68.5-179.8177.3-177.70107.9
298S34.8Very low38.8Very low109 Ų109154.6 Ų154.676%0.76283%0.825SS**  trans-154.178.7168.4-55.20000108.9K296K296-S298 PolarHBondContact O-N 3.4Å
299A35.6Very low38.7Very low90 Ų90155.4 Ų155.474%0.74483%0.825SS**  trans-107.4124.2153.700000105.8E301A299-E301 PolarHBondContact O-N 3.42Å
300P36.4Very low38.3Very low121 Ų121154.6 Ų154.679%0.78682%0.822SS**  trans-76.6112.7158.727.4-24.5000107.9T302P300-T302 PolarHBondContact O-N 3.46Å; P300-T302 VanDerWaalsContact O-N 3.14Å
301E45.6Very low38Very low192 Ų192154.5 Ų154.590%0.89783%0.825SS**  trans-66.999.4161.3-76.8176.4146.600108.2A299A299-E301 PolarHBondContact O-N 3.42Å
302T39.6Very low37.3Very low118 Ų118154.6 Ų154.672%0.72483%0.828SS**  trans-154.7137.2156.2-60.50000106.3P300P300-T302 PolarHBondContact O-N 3.46Å; P300-T302 VanDerWaalsContact O-N 3.14Å
303L33.3Very low36.9Very low168 Ų168151.6 Ų151.688%0.8883%0.825SS**  trans92.751.6-178.9-47.2176.7000115.9
304T34.3Very low36.4Very low139 Ų139144.2 Ų144.285%0.85382%0.816SS**PPolyproline II helixtrans-84.6118147.7-32.10000107.3
305L37.2Very low36.1Very low154 Ų154147.4 Ų147.481%0.80682%0.821SS**PPolyproline II helixtrans-67.2141.7166.2-72161.9000108.4E307L305-E307 PolarHBondContact O-N 3.35Å
306P38.6Very low35.7Very low125 Ų125140.2 Ų140.281%0.81281%0.809SS**PPolyproline II helixtrans-66.4130.4175.624.8-29.6000110.5
307E38.6Very low35.3Very low177 Ų177136 Ų13683%0.82780%0.804SS**PPolyproline II helixtrans-70.2151.6169-81.7-175.2158.300111.1L305L305-E307 PolarHBondContact O-N 3.35Å
308P35.4Very low34.6Very low121 Ų121131.9 Ų131.979%0.78680%0.796SS**PPolyproline II helixtrans-71.7134.4-17929.6-31.8000110.8
309V38.4Very low34.3Very low137 Ų137133.4 Ų133.483%0.8380%0.795SS**PPolyproline II helixtrans-66.3129.3177.6-175.60000109.7
310P34Very low34.1Very low116 Ų116135.2 Ų135.275%0.75379%0.792SS**PPolyproline II helixtrans-75.4138.8173.528.2-29000111.1
311S36.6Very low33.8Very low117 Ų117137.6 Ų137.682%0.81879%0.793SS**PPolyproline II helixtrans-67.7127.1172.3114.40000110
312E30.1Very low33.1Very low197 Ų197135.7 Ų135.792%0.92179%0.788SS**  trans-130.7136.8154.7-100.2-176.217000109.9
313A31Very low33Very low94 Ų94136.1 Ų136.178%0.77779%0.792SS**  trans-94.5168.4-172.600000112
314A29.8Very low32.9Very low88 Ų88133.1 Ų133.173%0.72778%0.781SS**  trans76.2135.9164.300000116.3
315E30.6Very low32.7Very low184 Ų184131.8 Ų131.886%0.8678%0.778SS**  cis-167.615422.6-131.5167.1-147.600111.4
316S27.6Very low32.4Very low100 Ų100130.7 Ų130.770%0.69977%0.772SS**  trans70.9103.6139.1178.20000121.4
317S29Very low32.1Very low104 Ų104132.3 Ų132.373%0.72777%0.769SS**  146.7138.996.257.30000116.3
318T29.4Very low31.7Very low118 Ų118129.9 Ų129.972%0.72476%0.761SS**  trans101.495.3146.1-21.60000120
319L29.9Very low31.5Very low142 Ų142131.6 Ų131.674%0.74376%0.758SS**  32.1120.3128.9-82.8130.5000120.2
320N30.1Very low31.1Very low127 Ų127129.7 Ų129.768%0.67975%0.751SS**  178.9122.997.8-95.6-28.3000114.4
321Q29.9Very low30.9Very low172 Ų172130 Ų13080%0.80476%0.756SS**  trans53.7117.7132.8-59.7-175.114.700121.9
322L30.8Very low30.8Very low151 Ų151130.8 Ų130.879%0.79176%0.756SS**  trans-53.1165.6148.9-75.5153.1000112.1
323P37.5Very low31.8Very low127 Ų127126.5 Ų126.583%0.82575%0.745SS**  -131.1146.6114.535.8-27.5000114.7
324V31.3Very low33Very low106 Ų106127.4 Ų127.464%0.64274%0.743SS**  trans-89.4143.1164.3172.40000108.6
325S31.5Very low33.2Very low111 Ų111128.8 Ų128.878%0.77675%0.747SS**  trans178.7117.6137.9-810000108.9
326N30.4Very low33.4Very low131 Ų131126.9 Ų126.970%0.70174%0.743SS**  69.411375.1-84.2-4.6000115
327H31.8Very low33.6Very low158 Ų158128.1 Ų128.173%0.73175%0.751SS**  171.5117.1117-98.4-75.4000109.2
328L30.8Very low33.9Very low127 Ų127130.7 Ų130.767%0.66576%0.756SS**  65.7144.394.7-99.984.3000113.8
329Q30.7Very low35Very low156 Ų156130.6 Ų130.673%0.72976%0.758SS**  cis-177150.2-11.8-134.1173.97.300106.1
330S30.4Very low35.3Very low98 Ų98128.7 Ų128.769%0.68576%0.763SS**  trans46.1128.6147.670.10000122.3
331S30.2Very low35.9Very low121 Ų121131.6 Ų131.685%0.84677%0.772SS**  177.9133.6103.339.20000112.5
332T33.7Very low36.3Very low134 Ų134132.7 Ų132.782%0.82278%0.779SS**  trans-114.9176.1157.5-11.30000105.7
333P51.5Low36.5Very low108 Ų108129 Ų12970%0.70178%0.777SS**  cis-136.7-135.7-13.441.5-19.6000109.4
334P56.8Low36.8Very low113 Ų113132.1 Ų132.173%0.73478%0.781SS**  cis-125.7175.8-41.333.9-17.2000112.3
335S33.6Very low37.3Very low116 Ų116139.9 Ų139.981%0.81181%0.811SS**  trans-166134.6135.5-165.20000112.5
336D34.4Very low37.6Very low144 Ų144141.4 Ų141.477%0.7781%0.812SS**  trans-57.3151.7174.1-61.9-61.1000115.4
337C31.3Very low38Very low127 Ų127141.9 Ų141.986%0.85882%0.818SS**  168112.9116-910000111.9
338D35.7Very low38.4Very low157 Ų157141 Ų14184%0.8482%0.823SS**  trans-74.8-175.4153.3-93.8-31.2000110.2
339P53.2Low38.8Very low117 Ų117141.8 Ų141.876%0.7683%0.832SS**  cis-131.5171.5-4936.9-21.1000111
340A35.6Very low39.3Very low102 Ų102140.9 Ų140.984%0.84384%0.839SS**  trans-163.9132.5153.300000114.1
341E42.2Very low39.9Very low187 Ų187143.8 Ų143.887%0.87485%0.849SS**  trans-58.2150.7168.5-63.1165.6121.300114.7
342M39.4Very low40.6Very low195 Ų195145.4 Ų145.496%0.96185%0.849SS**  trans176.6133.8132.9-100.8-165.8-8200105.6
343G35.3Very low41.1Very low73 Ų73146.3 Ų146.375%0.75385%0.851SS**  cis138.813527.400000105.7
344E42.8Very low40.3Very low194 Ų194149.5 Ų149.591%0.90786%0.864SS**  trans-51.5138.3179.6-63.1164.311000113.9
345Q42.8Very low38.7Very low269 Ų269152.8 Ų152.8100%1.25788%0.876SS**  -178.40123.4-100.2173.128.800111.8

Retrieved 345 of 345 residues in 271.7 ms (Link to these results)

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