A0A077ZM64_TRITR Loading...

Carbohydrate deacetylase

Probably catalyzes the deacetylation of acetylated carbohydrates an important step in the degradation of oligosaccharides.

AlphaFold DB , UniProt , Accession A0A077ZM64, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 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
1M75.1Confident95.7Very high219 Ų21939.3 Ų39.3100%1.07918%0.184SC*.  0126.20-160176.3-83.900105.6
2E90.7Very high96Very high131 Ų13136 Ų3661%0.61217%0.169SC*.PPolyproline II helixtrans-65.5147.4-178.3-65.5178143.400110.8G240 R242E2-G240 WeakPolarHBondContact CA-O 3.49Å; E2-R242 HydrophobicContact CB-CB 4.17Å
3R97.4Very high96.2Very high65 Ų6533.2 Ų33.225%0.24516%0.156CC..EExtended strand (participates in β ladder)trans-85.6140.4173.8-66.5174.9-83.7175.9-15.3109.4D195 R196 R239 G240 Y241 R242R3-D195 WeakPolarHBondContact CD-O 3.33Å; R3-R196 CarbonylContact C-O 3.57Å; R3-R196 WeakPolarHBondContact CA-O 3.38Å; R3-R239 PolarHBondContact NH2-O 3.14Å; R3-G240 PolarHBondContact N-O 2.98Å; R3-Y241 HydrophobicContact CB-CD1 3.51Å; R3-Y241 HydrophobicContact CB-CE1 3.51Å; R3-Y241 HydrophobicContact CB-CG 4.21Å; R3-Y241 HydrophobicContact CG-CE1 4.4Å; R3-Y241 VanDerWaalsContact CZ-CE2 3.44Å; R3-Y241 VanDerWaalsContact NH1-CE2 3.26Å; R3-Y241 VanDerWaalsContact NH1-CZ 3.32Å; R3-Y241 PolarHBondContact NH1-OH 2.88Å; R3-Y241 CarbonylContact O-C 3.27Å; R3-Y241 VanDerWaalsContact O-CA 3.3Å; R3-Y241 WeakPolarHBondContact O-CA 3.42Å; R3-R242 PolarHBondContact O-N 2.94Å
4L98.4Very high96.3Very high13 Ų1332.4 Ų32.47%0.06815%0.153CC..EExtended strand (participates in β ladder)trans-79.3128.1175175.266000109.9I6 R196 S197 L198 D248 V249L4-I6 HydrophobicContact CD2-CD1 4.26Å; L4-I6 HydrophobicContact CD2-CG1 4.26Å; L4-I6 HydrophobicContact CG-CG1 4.18Å; L4-R196 PolarHBondContact N-O 3.24Å; L4-S197 CarbonylContact O-C 3.52Å; L4-S197 VanDerWaalsContact O-CA 3.31Å; L4-S197 WeakPolarHBondContact O-CA 3.32Å; L4-L198 PolarHBondContact O-N 3Å; L4-D248 HydrophobicContact CD1-CB 3.81Å; L4-D248 HydrophobicContact CD2-CB 3.66Å; L4-D248 HydrophobicContact CG-CB 4.41Å; L4-V249 HydrophobicContact CD2-CG2 3.95Å
5L98.7Very high96.5Very high0 Ų030.4 Ų30.40%014%0.144CC..EExtended strand (participates in β ladder)trans-113.6121.5167.8177.260.8000109.3V7 F183 L187 L198 V200 I236 Y241 R242 L243 G244L5-V7 HydrophobicContact CD1-CG2 4.37Å; L5-V7 HydrophobicContact CD2-CG2 4.06Å; L5-V7 HydrophobicContact CG-CG2 3.91Å; L5-F183 HydrophobicContact CD2-CE1 4.15Å; L5-F183 HydrophobicContact CD2-CZ 4.45Å; L5-L187 HydrophobicContact CD1-CD2 3.72Å; L5-L187 HydrophobicContact CD2-CD1 4.34Å; L5-L187 HydrophobicContact CD2-CD2 3.84Å; L5-L187 HydrophobicContact CG-CD2 4.41Å; L5-L198 HydrophobicContact CD1-CB 4.4Å; L5-L198 HydrophobicContact CD1-CD2 4.08Å; L5-L198 HydrophobicContact CD1-CG 4.32Å; L5-V200 HydrophobicContact CD1-CG2 3.81Å; L5-I236 HydrophobicContact CD2-CD1 4.09Å; L5-I236 HydrophobicContact CD2-CG1 4.24Å; L5-I236 HydrophobicContact CD2-CG2 3.85Å; L5-Y241 HydrophobicContact CB-CD1 3.75Å; L5-Y241 HydrophobicContact CB-CG 4.25Å; L5-R242 PolarHBondContact N-O 3.26Å; L5-L243 HydrophobicContact CB-CD2 4.34Å; L5-L243 HydrophobicContact CD2-CD2 3.85Å; L5-L243 HydrophobicContact CG-CD2 4.1Å; L5-L243 WeakPolarHBondContact O-CA 3.24Å; L5-G244 PolarHBondContact O-N 2.95Å
6I98.7Very high96.6Very high0 Ų036.2 Ų36.20%017%0.168CC..EExtended strand (participates in β ladder)trans-103.5118.2168.9-57.4176.5000106.9L4 N8 T166 L198 E199 V200 S245 Y246 V249L4-I6 HydrophobicContact CD2-CD1 4.26Å; L4-I6 HydrophobicContact CD2-CG1 4.26Å; L4-I6 HydrophobicContact CG-CG1 4.18Å; I6-N8 HydrophobicContact CG2-CB 4.41Å; I6-T166 HydrophobicContact CD1-CG2 3.7Å; I6-L198 PolarHBondContact N-O 2.74Å; I6-E199 HydrophobicContact CB-CB 4.44Å; I6-E199 HydrophobicContact CG2-CG 4.49Å; I6-E199 CarbonylContact O-C 3.4Å; I6-E199 VanDerWaalsContact O-CA 3.32Å; I6-E199 WeakPolarHBondContact O-CA 3.47Å; I6-V200 PolarHBondContact O-N 3.26Å; I6-S245 WeakPolarHBondContact CD1-O 3.43Å; I6-Y246 HydrophobicContact CD1-CD1 4.17Å; I6-Y246 HydrophobicContact CD1-CD2 3.92Å; I6-Y246 HydrophobicContact CD1-CE1 4.44Å; I6-Y246 HydrophobicContact CD1-CE2 4.18Å; I6-Y246 HydrophobicContact CD1-CG 3.94Å; I6-Y246 HydrophobicContact CG2-CD2 4.02Å; I6-Y246 HydrophobicContact CG2-CE2 4.17Å; I6-V249 HydrophobicContact CD1-CG2 3.6Å
7V98.8Very high96.7Very high0 Ų034.4 Ų34.40%016%0.162CC..EExtended strand (participates in β ladder)trans-101.3104.6169.3-172.90000106.5L5 I30 V31 T32 S33 F183 L227 L243L5-V7 HydrophobicContact CD1-CG2 4.37Å; L5-V7 HydrophobicContact CD2-CG2 4.06Å; L5-V7 HydrophobicContact CG-CG2 3.91Å; V7-I30 WeakPolarHBondContact CB-O 3.32Å; V7-I30 HydrophobicContact CG1-CG1 4.33Å; V7-I30 HydrophobicContact CG2-CD1 4.01Å; V7-I30 HydrophobicContact CG2-CG1 4.15Å; V7-V31 HydrophobicContact CG1-CG2 3.98Å; V7-T32 PolarHBondContact O-N 3.38Å; V7-S33 PolarHBondContact O-N 3.15Å; V7-F183 HydrophobicContact CG1-CE2 4.47Å; V7-F183 HydrophobicContact CG1-CZ 4.47Å; V7-F183 HydrophobicContact CG2-CZ 3.9Å; V7-L227 HydrophobicContact CG1-CD2 4.05Å; V7-L243 HydrophobicContact CG2-CD2 4.05Å
8N98.9Very high96.8Very high0 Ų032.5 Ų32.50%015%0.153CC..EExtended strand (participates in β ladder)trans-100.1117.7-177-165.580.3000110.3I6 D10 S33 T34 T35 H121 R150 E199 V200 C202I6-N8 HydrophobicContact CG2-CB 4.41Å; N8-D10 PolarHBondContact ND2-OD1 2.76Å; N8-S33 CarbonylContact C-O 3.23Å; N8-S33 VanDerWaalsContact CA-O 3.31Å; N8-S33 WeakPolarHBondContact CA-O 3.19Å; N8-S33 VanDerWaalsContact OD1-C 3.31Å; N8-S33 VanDerWaalsContact OD1-CB 3.23Å; N8-S33 WeakPolarHBondContact OD1-CB 3.48Å; N8-S33 PolarHBondContact OD1-OG 3.36Å; N8-T34 WeakPolarHBondContact OD1-CA 3.09Å; N8-T34 PolarHBondContact OD1-N 3.48Å; N8-T35 PolarHBondContact ND2-OG1 3.23Å; N8-H121 PolarHBondContact OD1-CE1 3.25Å; N8-H121 VanDerWaalsContact OD1-CE1 3.24Å; N8-H121 PolarHBondContact OD1-NE2 3.31Å; N8-H121 VanDerWaalsContact OD1-NE2 3.08Å; N8-R150 PolarHBondContact ND2-NH2 2.9Å; N8-E199 HydrophobicContact CB-CG 4.22Å; N8-E199 WeakPolarHBondContact CB-OE1 3.1Å; N8-V200 PolarHBondContact N-O 3.47Å; N8-C202 PolarHBondContact O-N 3.04Å; N8-C202 PolarHBondContact O-SG 3.45Å
9A98.9Very high96.9Very high0 Ų030.8 Ų30.80%015%0.145CC..EExtended strand (participates in β ladder)trans-88.5116.4172.800000110.3I22 V31 S33 T34 T35 C202 P204A9-I22 HydrophobicContact CB-CB 4.42Å; A9-I22 HydrophobicContact CB-CD1 4.08Å; A9-I22 HydrophobicContact CB-CG1 3.83Å; A9-I22 HydrophobicContact CB-CG2 3.99Å; A9-V31 HydrophobicContact CB-CG1 3.85Å; A9-V31 HydrophobicContact CB-CG2 4.4Å; A9-S33 PolarHBondContact N-O 3.24Å; A9-T34 WeakPolarHBondContact O-CA 3.24Å; A9-T34 VanDerWaalsContact O-CB 3.27Å; A9-T34 WeakPolarHBondContact O-CB 3.44Å; A9-T34 PolarHBondContact O-OG1 2.88Å; A9-T35 PolarHBondContact O-N 2.91Å; A9-C202 CarbonylContact C-O 3.31Å; A9-C202 WeakPolarHBondContact CA-O 3.41Å; A9-C202 VanDerWaalsContact CA-SG 3.57Å; A9-P204 HydrophobicContact CB-CG 3.93Å
10D98.8Very high97Very high3 Ų334.9 Ų34.92%0.01616%0.16CC..EExtended strand (participates in β ladder)trans-79.1168.4-179.9-70.716.7000110.9N8 Q18 I22 H61 R150 M201 C202N8-D10 PolarHBondContact ND2-OD1 2.76Å; D10-Q18 PolarHBondContact O-NE2 3.36Å; D10-I22 WeakPolarHBondContact O-CD1 3.39Å; D10-H61 IonicContact OD2-CE1 3.58Å; D10-H61 PolarHBondContact OD2-CE1 3.34Å; D10-H61 IonicContact OD2-NE2 3.34Å; D10-R150 IonicContact OD1-CZ 3.26Å; D10-R150 IonicContact OD1-NH1 3.42Å; D10-R150 PolarHBondContact OD1-NH1 2.86Å; D10-R150 IonicContact OD1-NH2 3.56Å; D10-R150 PolarHBondContact OD1-NH2 3.33Å; D10-R150 IonicContact OD2-CZ 2.69Å; D10-R150 IonicContact OD2-NH1 2.91Å; D10-R150 PolarHBondContact OD2-NH1 3.41Å; D10-R150 IonicContact OD2-NH2 3.17Å; D10-M201 WeakPolarHBondContact OD2-CG 3.46Å; D10-C202 PolarHBondContact N-O 2.84Å
11D98.6Very high97.1Very high1 Ų133.2 Ų33.21%0.00515%0.152CC..EExtended strand (participates in β ladder)trans70.822.3173.9-58.1-32.5000117.6G13 L14 Q18 L37 H61 H125 H203 R220D11-G13 PolarHBondContact O-N 3.28Å; D11-L14 HydrophobicContact CB-CB 4.06Å; D11-L14 HydrophobicContact CB-CD2 4.04Å; D11-L14 WeakPolarHBondContact O-CB 3.46Å; D11-L14 PolarHBondContact O-N 3.08Å; D11-Q18 HydrophobicContact CB-CG 3.94Å; D11-Q18 VanDerWaalsContact O-CG 3.22Å; D11-Q18 WeakPolarHBondContact O-CG 3.35Å; D11-L37 HydrophobicContact CB-CD1 3.94Å; D11-H61 IonicContact OD1-CD2 3.6Å; D11-H61 IonicContact OD1-NE2 3.72Å; D11-H61 PolarHBondContact OD1-NE2 3.2Å; D11-H125 IonicContact OD1-CE1 3.61Å; D11-H125 PolarHBondContact OD1-CE1 2.77Å; D11-H125 VanDerWaalsContact OD1-CE1 3.3Å; D11-H125 IonicContact OD1-ND1 3.66Å; D11-H125 PolarHBondContact OD1-ND1 3.35Å; D11-H203 IonicContact OD2-CD2 2.85Å; D11-R220 IonicContact OD2-CZ 3.78Å; D11-R220 IonicContact OD2-NH1 2.77Å; D11-R220 PolarHBondContact OD2-NH1 2.67Å; D11-R220 IonicContact OD2-NH2 3.35Å; D11-R220 PolarHBondContact OD2-NH2 2.94Å
12F98.9Very high98.2Very high0 Ų022.8 Ų22.80%010%0.101CC..EExtended strand (participates in β ladder)trans-62.9128.4174.6-164-137000110.8N19 I22 I23 T34 T35 A36 L37 A46 L49 I58F12-N19 HydrophobicContact CD2-CB 4.16Å; F12-N19 WeakPolarHBondContact CD2-OD1 3.42Å; F12-N19 HydrophobicContact CE2-CB 3.85Å; F12-I22 HydrophobicContact CB-CD1 3.85Å; F12-I22 HydrophobicContact CD2-CB 4.29Å; F12-I22 HydrophobicContact CD2-CD1 3.97Å; F12-I22 HydrophobicContact CD2-CG2 4.25Å; F12-I22 HydrophobicContact CG-CD1 4.34Å; F12-I23 HydrophobicContact CE2-CG1 4.39Å; F12-I23 HydrophobicContact CZ-CD1 4.31Å; F12-T34 HydrophobicContact CB-CG2 4.16Å; F12-T34 VanDerWaalsContact CB-OG1 3.31Å; F12-T34 WeakPolarHBondContact CB-OG1 3.45Å; F12-T34 HydrophobicContact CD1-CG2 3.84Å; F12-T34 HydrophobicContact CE1-CG2 4.45Å; F12-T34 HydrophobicContact CG-CG2 4.13Å; F12-T35 WeakPolarHBondContact CB-O 3.34Å; F12-T35 PolarHBondContact N-O 3.39Å; F12-A36 HydrophobicContact CD1-CB 4.45Å; F12-A36 CarbonylContact O-C 3.51Å; F12-A36 WeakPolarHBondContact O-CA 3.38Å; F12-L37 PolarHBondContact O-N 3.32Å; F12-A46 HydrophobicContact CD1-CB 3.67Å; F12-A46 HydrophobicContact CD2-CB 3.94Å; F12-A46 HydrophobicContact CE1-CB 3.52Å; F12-A46 WeakPolarHBondContact CE1-O 3.33Å; F12-A46 HydrophobicContact CE2-CB 3.8Å; F12-A46 HydrophobicContact CG-CB 3.88Å; F12-A46 HydrophobicContact CZ-CB 3.58Å; F12-A46 VanDerWaalsContact CZ-O 3.31Å; F12-A46 WeakPolarHBondContact CZ-O 3.44Å; F12-L49 HydrophobicContact CZ-CB 4.35Å; F12-I58 HydrophobicContact CE1-CD1 4.25Å
13G98.7Very high98.6Very high0 Ų016.8 Ų16.80%07%0.073CC..THydrogen-bonded Turntrans94.2-4.5-171.500000114.7D11 N19 G40 Q41 A42 I43D11-G13 PolarHBondContact O-N 3.28Å; G13-N19 WeakPolarHBondContact CA-OD1 3.3Å; G13-N19 PolarHBondContact N-OD1 2.72Å; G13-G40 CarbonylContact O-C 3.45Å; G13-G40 VanDerWaalsContact O-C 3.27Å; G13-G40 WeakPolarHBondContact O-CA 3.4Å; G13-Q41 PolarHBondContact O-N 2.89Å; G13-A42 CarbonylContact O-C 3.57Å; G13-A42 VanDerWaalsContact O-C 3.31Å; G13-A42 VanDerWaalsContact O-CA 3.32Å; G13-A42 WeakPolarHBondContact O-CA 3.23Å; G13-A42 PolarHBondContact O-N 2.8Å; G13-I43 PolarHBondContact O-N 2.87Å
14L98.2Very high98.7Very high21 Ų2116.9 Ų16.911%0.118%0.076CC..SBendtrans-61.4-54.3175.9178.959.5000111.9D11 Q18 L37 M66 T210 I211D11-L14 HydrophobicContact CB-CB 4.06Å; D11-L14 HydrophobicContact CB-CD2 4.04Å; D11-L14 WeakPolarHBondContact O-CB 3.46Å; D11-L14 PolarHBondContact O-N 3.08Å; L14-Q18 HydrophobicContact CB-CB 4.17Å; L14-Q18 HydrophobicContact CB-CG 4.16Å; L14-L37 HydrophobicContact CB-CD1 3.65Å; L14-L37 HydrophobicContact CD1-CD1 4.2Å; L14-L37 HydrophobicContact CG-CD1 4.45Å; L14-M66 HydrophobicContact CD1-CE 3.79Å; L14-M66 HydrophobicContact CD1-SD 3.56Å; L14-M66 VanDerWaalsContact CD1-SD 3.56Å; L14-T210 HydrophobicContact CD1-CG2 4.42Å; L14-T210 HydrophobicContact CG-CG2 4.39Å; L14-I211 HydrophobicContact CD2-CD1 3.69Å; L14-I211 HydrophobicContact CG-CD1 4.45Å
15S98.4Very high98.7Very high3 Ų316.2 Ų16.22%0.0217%0.073CC..  trans-154170.7-177.481.60000111G17 Q18 N19 A42 D208S15-G17 PolarHBondContact OG-N 2.63Å; S15-Q18 PolarHBondContact OG-N 3.28Å; S15-Q18 VanDerWaalsContact OG-N 3.15Å; S15-N19 WeakPolarHBondContact O-CB 3.16Å; S15-N19 PolarHBondContact O-N 3.18Å; S15-N19 PolarHBondContact O-ND2 3.22Å; S15-N19 PolarHBondContact O-OD1 3.48Å; S15-A42 VanDerWaalsContact C-CB 3.43Å; S15-A42 VanDerWaalsContact CA-CB 3.48Å; S15-D208 WeakPolarHBondContact CB-OD2 3.41Å; S15-D208 VanDerWaalsContact OG-CG 3.3Å; S15-D208 PolarHBondContact OG-OD1 3.14Å; S15-D208 PolarHBondContact OG-OD2 2.92Å
16K98.5Very high98.7Very high123 Ų12317 Ų1754%0.5358%0.077SC..Hα-helixtrans-68.8-38177-68.4-170.3179.7-176.20111.3N19 Y20 D208K16-N19 PolarHBondContact O-N 3.19Å; K16-Y20 HydrophobicContact CB-CD2 4.42Å; K16-Y20 HydrophobicContact CB-CE2 4.35Å; K16-Y20 WeakPolarHBondContact O-CD2 3.09Å; K16-Y20 PolarHBondContact O-N 3.45Å; K16-D208 PolarHBondContact N-OD2 3.13Å
17G98.5Very high98.6Very high6 Ų622.8 Ų22.86%0.06210%0.099CC..Hα-helixtrans-60.4-44.2175.200000112.4S15 G21 F206 D208S15-G17 PolarHBondContact OG-N 2.63Å; G17-G21 PolarHBondContact O-N 3.31Å; G17-G21 VanDerWaalsContact O-N 3.08Å; G17-F206 CarbonylContact C-O 3.5Å; G17-F206 VanDerWaalsContact C-O 3.23Å; G17-F206 VanDerWaalsContact CA-O 3.24Å; G17-F206 WeakPolarHBondContact CA-O 3.43Å; G17-F206 PolarHBondContact O-N 3.42Å; G17-D208 WeakPolarHBondContact CA-OD2 3.22Å; G17-D208 PolarHBondContact N-OD2 3.27Å
18Q98.6Very high98.6Very high0 Ų027.5 Ų27.50%013%0.125CC..Hα-helixtrans-58.9-52.9172.3-167.760.640.600111.1D10 D11 L14 S15 Y20 G21 I22 P204 I211 R220D10-Q18 PolarHBondContact O-NE2 3.36Å; D11-Q18 HydrophobicContact CB-CG 3.94Å; D11-Q18 VanDerWaalsContact O-CG 3.22Å; D11-Q18 WeakPolarHBondContact O-CG 3.35Å; L14-Q18 HydrophobicContact CB-CB 4.17Å; L14-Q18 HydrophobicContact CB-CG 4.16Å; S15-Q18 PolarHBondContact OG-N 3.28Å; S15-Q18 VanDerWaalsContact OG-N 3.15Å; Q18-Y20 VanDerWaalsContact C-N 3.34Å; Q18-Y20 PolarHBondContact O-N 2.57Å; Q18-G21 PolarHBondContact O-N 2.7Å; Q18-G21 VanDerWaalsContact O-N 3.17Å; Q18-I22 HydrophobicContact CG-CD1 4.02Å; Q18-I22 WeakPolarHBondContact O-CG1 3.31Å; Q18-I22 PolarHBondContact O-N 2.87Å; Q18-P204 PolarHBondContact NE2-O 3.48Å; Q18-I211 HydrophobicContact CB-CD1 4.2Å; Q18-R220 VanDerWaalsContact CD-NH1 3.25Å
19N98.9Very high98.6Very high0 Ų028 Ų280%013%0.13CC..Hα-helixtrans-58-45.1-176.6-69.9-16000112.7F12 G13 S15 K16 I22 I23 A42 H45 A46 L49F12-N19 HydrophobicContact CD2-CB 4.16Å; F12-N19 WeakPolarHBondContact CD2-OD1 3.42Å; F12-N19 HydrophobicContact CE2-CB 3.85Å; G13-N19 WeakPolarHBondContact CA-OD1 3.3Å; G13-N19 PolarHBondContact N-OD1 2.72Å; S15-N19 WeakPolarHBondContact O-CB 3.16Å; S15-N19 PolarHBondContact O-N 3.18Å; S15-N19 PolarHBondContact O-ND2 3.22Å; S15-N19 PolarHBondContact O-OD1 3.48Å; K16-N19 PolarHBondContact O-N 3.19Å; N19-I22 PolarHBondContact O-N 3.32Å; N19-I23 WeakPolarHBondContact O-CG1 3.32Å; N19-I23 PolarHBondContact O-N 2.99Å; N19-A42 WeakPolarHBondContact ND2-CB 3.2Å; N19-A42 PolarHBondContact ND2-O 2.81Å; N19-H45 PolarHBondContact ND2-ND1 3.41Å; N19-A46 PolarHBondContact ND2-N 2.92Å; N19-L49 HydrophobicContact CB-CD1 3.79Å
20Y98.8Very high98.5Very high113 Ų11328 Ų2844%0.44313%0.13SC..Hα-helixtrans-67.6-38.2178.7-75.8-53.9000112.5K16 Q18 I23 E24 H45 L49K16-Y20 HydrophobicContact CB-CD2 4.42Å; K16-Y20 HydrophobicContact CB-CE2 4.35Å; K16-Y20 WeakPolarHBondContact O-CD2 3.09Å; K16-Y20 PolarHBondContact O-N 3.45Å; Q18-Y20 VanDerWaalsContact C-N 3.34Å; Q18-Y20 PolarHBondContact O-N 2.57Å; Y20-I23 PolarHBondContact O-N 2.87Å; Y20-E24 VanDerWaalsContact O-CB 3.31Å; Y20-E24 WeakPolarHBondContact O-CB 3.08Å; Y20-E24 PolarHBondContact O-N 3.41Å; Y20-H45 AromaticContact CE1-CE1 3.94Å; Y20-H45 AromaticContact CE2-CE1 3.69Å; Y20-H45 AromaticContact CE2-NE2 3.86Å; Y20-H45 AromaticContact CZ-CE1 3.56Å; Y20-H45 AromaticContact CZ-NE2 3.52Å; Y20-H45 PolarHBondContact OH-NE2 2.98Å; Y20-L49 HydrophobicContact CD1-CD1 4.23Å; Y20-L49 HydrophobicContact CD1-CD2 4.46Å; Y20-L49 HydrophobicContact CE1-CD1 4.27Å; Y20-L49 HydrophobicContact CE1-CD2 4.02Å
21G98.8Very high98.5Very high0 Ų028 Ų280%013%0.13CC..Hα-helixtrans-64-40.8175.900000112.5G17 Q18 E24 A25 L224G17-G21 PolarHBondContact O-N 3.31Å; G17-G21 VanDerWaalsContact O-N 3.08Å; Q18-G21 PolarHBondContact O-N 2.7Å; Q18-G21 VanDerWaalsContact O-N 3.17Å; G21-E24 PolarHBondContact O-N 2.95Å; G21-A25 WeakPolarHBondContact O-CB 3.5Å; G21-A25 PolarHBondContact O-N 3.43Å; G21-L224 WeakPolarHBondContact O-CD1 3.42Å
22I98.9Very high98.5Very high0 Ų029.2 Ų29.20%014%0.138CC..Hα-helixtrans-62.7-45.1175.2-65.5179000111.3A9 D10 F12 Q18 N19 A25 C26 T34 L56 P204A9-I22 HydrophobicContact CB-CB 4.42Å; A9-I22 HydrophobicContact CB-CD1 4.08Å; A9-I22 HydrophobicContact CB-CG1 3.83Å; A9-I22 HydrophobicContact CB-CG2 3.99Å; D10-I22 WeakPolarHBondContact O-CD1 3.39Å; F12-I22 HydrophobicContact CB-CD1 3.85Å; F12-I22 HydrophobicContact CD2-CB 4.29Å; F12-I22 HydrophobicContact CD2-CD1 3.97Å; F12-I22 HydrophobicContact CD2-CG2 4.25Å; F12-I22 HydrophobicContact CG-CD1 4.34Å; Q18-I22 HydrophobicContact CG-CD1 4.02Å; Q18-I22 WeakPolarHBondContact O-CG1 3.31Å; Q18-I22 PolarHBondContact O-N 2.87Å; N19-I22 PolarHBondContact O-N 3.32Å; I22-A25 PolarHBondContact O-N 2.99Å; I22-C26 WeakPolarHBondContact O-CB 3.33Å; I22-C26 PolarHBondContact O-N 3.45Å; I22-T34 HydrophobicContact CG2-CG2 4.41Å; I22-L56 HydrophobicContact CG2-CD2 4.27Å; I22-P204 HydrophobicContact CG1-CG 4.44Å
23I98.8Very high98.5Very high5 Ų529.2 Ų29.23%0.02614%0.138CC..Hα-helixtrans-64.8-40.1177.6-68.3-63.3000111.5F12 N19 Y20 C26 R27 L49 E53 L56F12-I23 HydrophobicContact CE2-CG1 4.39Å; F12-I23 HydrophobicContact CZ-CD1 4.31Å; N19-I23 WeakPolarHBondContact O-CG1 3.32Å; N19-I23 PolarHBondContact O-N 2.99Å; Y20-I23 PolarHBondContact O-N 2.87Å; I23-C26 PolarHBondContact O-N 3.38Å; I23-R27 HydrophobicContact CG2-CG 4.32Å; I23-R27 WeakPolarHBondContact O-CB 3.26Å; I23-R27 WeakPolarHBondContact O-CG 3.31Å; I23-R27 PolarHBondContact O-N 3.32Å; I23-L49 HydrophobicContact CD1-CB 4.11Å; I23-L49 HydrophobicContact CG1-CB 4.01Å; I23-L49 HydrophobicContact CG1-CD1 4Å; I23-L49 HydrophobicContact CG1-CG 4.44Å; I23-E53 HydrophobicContact CD1-CB 3.91Å; I23-E53 HydrophobicContact CD1-CG 4.14Å; I23-L56 HydrophobicContact CD1-CD2 3.99Å
24E98.7Very high98.5Very high66 Ų6629.2 Ų29.231%0.30814%0.138SC..Hα-helixtrans-61.9-49176.1-179.360.3-154.800111.3Y20 G21 C26 R27 N28 F206 L224 T228Y20-E24 VanDerWaalsContact O-CB 3.31Å; Y20-E24 WeakPolarHBondContact O-CB 3.08Å; Y20-E24 PolarHBondContact O-N 3.41Å; G21-E24 PolarHBondContact O-N 2.95Å; E24-C26 PolarHBondContact O-N 2.99Å; E24-R27 PolarHBondContact O-N 3.44Å; E24-N28 PolarHBondContact O-N 3.21Å; E24-N28 PolarHBondContact OE1-ND2 3.33Å; E24-N28 PolarHBondContact OE2-ND2 3.16Å; E24-F206 HydrophobicContact CB-CE2 4.12Å; E24-F206 HydrophobicContact CB-CZ 4.38Å; E24-F206 HydrophobicContact CG-CE2 4.4Å; E24-F206 HydrophobicContact CG-CZ 4.16Å; E24-L224 HydrophobicContact CB-CD1 4.03Å; E24-L224 HydrophobicContact CG-CD1 3.92Å; E24-T228 HydrophobicContact CG-CG2 4.43Å
25A98.7Very high98.6Very high0 Ų028.2 Ų28.20%013%0.132CC..Hα-helixtrans-63.4-25.9177.200000113.1G21 I22 G29 I30 V31 P204 L224 L227 T228G21-A25 WeakPolarHBondContact O-CB 3.5Å; G21-A25 PolarHBondContact O-N 3.43Å; I22-A25 PolarHBondContact O-N 2.99Å; A25-G29 CarbonylContact O-C 3.23Å; A25-G29 VanDerWaalsContact O-C 3.23Å; A25-G29 WeakPolarHBondContact O-CA 3.04Å; A25-G29 PolarHBondContact O-N 2.9Å; A25-G29 VanDerWaalsContact O-N 3.16Å; A25-I30 PolarHBondContact O-N 3.27Å; A25-V31 HydrophobicContact CB-CB 3.99Å; A25-V31 HydrophobicContact CB-CG2 3.54Å; A25-V31 PolarHBondContact O-N 3.06Å; A25-P204 HydrophobicContact CB-CB 3.99Å; A25-P204 HydrophobicContact CB-CG 3.85Å; A25-L224 HydrophobicContact CB-CD1 3.87Å; A25-L227 HydrophobicContact CB-CB 4.49Å; A25-T228 HydrophobicContact CB-CG2 4.48Å
26C98.6Very high98.6Very high15 Ų1528.1 Ų28.110%0.10113%0.131CC..Hα-helixtrans-77.8-48.7174.1-176.40000112.3I22 I23 E24 V31 L56I22-C26 WeakPolarHBondContact O-CB 3.33Å; I22-C26 PolarHBondContact O-N 3.45Å; I23-C26 PolarHBondContact O-N 3.38Å; E24-C26 PolarHBondContact O-N 2.99Å; C26-V31 WeakPolarHBondContact CA-O 3.44Å; C26-V31 HydrophobicContact CB-CG1 4.47Å; C26-V31 PolarHBondContact SG-O 3.43Å; C26-L56 HydrophobicContact CB-CD1 4.28Å
27R97.7Very high98.6Very high122 Ų12222.2 Ų22.246%0.4611%0.106SC..Hα-helixtrans-68-42.7-177.4-74.7177.1175.1171.8-1.2112.8I23 E24 D52 E53I23-R27 HydrophobicContact CG2-CG 4.32Å; I23-R27 WeakPolarHBondContact O-CB 3.26Å; I23-R27 WeakPolarHBondContact O-CG 3.31Å; I23-R27 PolarHBondContact O-N 3.32Å; E24-R27 PolarHBondContact O-N 3.44Å; R27-D52 PolarHBondContact NH2-O 3.24Å; R27-E53 WeakPolarHBondContact CG-OE2 3.41Å; R27-E53 IonicContact CZ-OE2 3.63Å; R27-E53 IonicContact NE-OE2 2.76Å; R27-E53 PolarHBondContact NE-OE2 3.29Å; R27-E53 IonicContact NH2-OE2 3.63Å
28N97.8Very high98.6Very high99 Ų9922.1 Ų22.153%0.52910%0.104SC..SBendtrans-115.64.2-169-62.6-44.9000113E24 T228E24-N28 PolarHBondContact O-N 3.21Å; E24-N28 PolarHBondContact OE1-ND2 3.33Å; E24-N28 PolarHBondContact OE2-ND2 3.16Å; N28-T228 HydrophobicContact CB-CG2 4.45Å
29G98.2Very high98.6Very high10 Ų1023.5 Ų23.510%0.10311%0.111CC..SBendtrans-133.7-146.1-174.400000114.5A25 L227A25-G29 CarbonylContact O-C 3.23Å; A25-G29 VanDerWaalsContact O-C 3.23Å; A25-G29 WeakPolarHBondContact O-CA 3.04Å; A25-G29 PolarHBondContact O-N 2.9Å; A25-G29 VanDerWaalsContact O-N 3.16Å; G29-L227 CarbonylContact C-O 3.58Å; G29-L227 WeakPolarHBondContact CA-O 3.4Å
30I98.5Very high98.6Very high1 Ų123.8 Ų23.81%0.00511%0.114CC..SBendtrans-110.7-1.1-175.267.5168.7000113.5V7 A25 T32 F183 L227 L232 K233 I236 L243V7-I30 WeakPolarHBondContact CB-O 3.32Å; V7-I30 HydrophobicContact CG1-CG1 4.33Å; V7-I30 HydrophobicContact CG2-CD1 4.01Å; V7-I30 HydrophobicContact CG2-CG1 4.15Å; A25-I30 PolarHBondContact O-N 3.27Å; I30-T32 PolarHBondContact O-N 3.47Å; I30-F183 HydrophobicContact CD1-CE1 3.84Å; I30-F183 HydrophobicContact CD1-CE2 3.96Å; I30-F183 HydrophobicContact CD1-CZ 3.5Å; I30-L227 HydrophobicContact CD1-CD2 3.71Å; I30-L227 HydrophobicContact CG1-CB 4.35Å; I30-L227 HydrophobicContact CG1-CD2 3.78Å; I30-L227 PolarHBondContact N-O 3.02Å; I30-L232 HydrophobicContact CD1-CD2 3.57Å; I30-L232 HydrophobicContact CD1-CG 4.09Å; I30-L232 HydrophobicContact CG1-CD2 4.5Å; I30-K233 HydrophobicContact CG2-CB 4.06Å; I30-K233 HydrophobicContact CG2-CG 4.35Å; I30-I236 HydrophobicContact CB-CD1 4.24Å; I30-I236 HydrophobicContact CD1-CD1 3.48Å; I30-I236 VanDerWaalsContact CD1-CD1 3.48Å; I30-I236 HydrophobicContact CG1-CD1 4.47Å; I30-I236 HydrophobicContact CG2-CD1 3.9Å; I30-L243 HydrophobicContact CB-CD1 3.94Å; I30-L243 HydrophobicContact CB-CD2 4.19Å; I30-L243 HydrophobicContact CG2-CD1 4.13Å
31V98.8Very high98.5Very high3 Ų326.5 Ų26.52%0.01813%0.131CC..  trans-70.2127177.8172.70000109.6V7 A9 A25 C26 S33 L56 P204 L227V7-V31 HydrophobicContact CG1-CG2 3.98Å; A9-V31 HydrophobicContact CB-CG1 3.85Å; A9-V31 HydrophobicContact CB-CG2 4.4Å; A25-V31 HydrophobicContact CB-CB 3.99Å; A25-V31 HydrophobicContact CB-CG2 3.54Å; A25-V31 PolarHBondContact O-N 3.06Å; C26-V31 WeakPolarHBondContact CA-O 3.44Å; C26-V31 HydrophobicContact CB-CG1 4.47Å; C26-V31 PolarHBondContact SG-O 3.43Å; V31-S33 WeakPolarHBondContact CG1-O 3.5Å; V31-L56 HydrophobicContact CG1-CD1 4.31Å; V31-P204 HydrophobicContact CG2-CG 4.3Å; V31-L227 HydrophobicContact CG2-CD1 4.1Å
32T98.5Very high98.5Very high27 Ų2727 Ų2717%0.16614%0.135CC..  trans-125.4-12.2-178.450.20000112.9V7 I30 A57 L243 G244V7-T32 PolarHBondContact O-N 3.38Å; I30-T32 PolarHBondContact O-N 3.47Å; T32-A57 PolarHBondContact O-N 2.85Å; T32-A57 VanDerWaalsContact O-N 3.09Å; T32-L243 HydrophobicContact CG2-CB 3.9Å; T32-G244 VanDerWaalsContact CB-O 3.26Å; T32-G244 WeakPolarHBondContact CB-O 3.45Å; T32-G244 PolarHBondContact OG1-O 2.94Å
33S98.9Very high98.5Very high0 Ų027.4 Ų27.40%014%0.137CC..EExtended strand (participates in β ladder)trans-139.2152.4-177.9-170.10000110.2V7 N8 A9 V31 A57 H121V7-S33 PolarHBondContact O-N 3.15Å; N8-S33 CarbonylContact C-O 3.23Å; N8-S33 VanDerWaalsContact CA-O 3.31Å; N8-S33 WeakPolarHBondContact CA-O 3.19Å; N8-S33 VanDerWaalsContact OD1-C 3.31Å; N8-S33 VanDerWaalsContact OD1-CB 3.23Å; N8-S33 WeakPolarHBondContact OD1-CB 3.48Å; N8-S33 PolarHBondContact OD1-OG 3.36Å; A9-S33 PolarHBondContact N-O 3.24Å; V31-S33 WeakPolarHBondContact CG1-O 3.5Å; S33-A57 CarbonylContact C-O 3.53Å; S33-A57 WeakPolarHBondContact CA-O 3.27Å; S33-H121 PolarHBondContact OG-CE1 2.68Å
34T98.9Very high98.5Very high0 Ų032.3 Ų32.30%016%0.163CC..EExtended strand (participates in β ladder)trans-148.6163.6171.9-171.60000110.6N8 A9 F12 I22 L56 A57 I58 G59N8-T34 WeakPolarHBondContact OD1-CA 3.09Å; N8-T34 PolarHBondContact OD1-N 3.48Å; A9-T34 WeakPolarHBondContact O-CA 3.24Å; A9-T34 VanDerWaalsContact O-CB 3.27Å; A9-T34 WeakPolarHBondContact O-CB 3.44Å; A9-T34 PolarHBondContact O-OG1 2.88Å; F12-T34 HydrophobicContact CB-CG2 4.16Å; F12-T34 VanDerWaalsContact CB-OG1 3.31Å; F12-T34 WeakPolarHBondContact CB-OG1 3.45Å; F12-T34 HydrophobicContact CD1-CG2 3.84Å; F12-T34 HydrophobicContact CE1-CG2 4.45Å; F12-T34 HydrophobicContact CG-CG2 4.13Å; I22-T34 HydrophobicContact CG2-CG2 4.41Å; T34-L56 HydrophobicContact CG2-CD1 4Å; T34-L56 HydrophobicContact CG2-CD2 3.7Å; T34-L56 HydrophobicContact CG2-CG 3.83Å; T34-A57 PolarHBondContact N-O 3.32Å; T34-I58 HydrophobicContact CG2-CB 4.38Å; T34-I58 HydrophobicContact CG2-CG1 3.78Å; T34-I58 HydrophobicContact CG2-CG2 4.35Å; T34-I58 CarbonylContact O-C 3.59Å; T34-I58 WeakPolarHBondContact O-CA 3.15Å; T34-G59 PolarHBondContact O-N 3.37Å
35T99Very high98.5Very high0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-124.9129.6176.345.40000111N8 A9 F12 G59 H61 H121 D123N8-T35 PolarHBondContact ND2-OG1 3.23Å; A9-T35 PolarHBondContact O-N 2.91Å; F12-T35 WeakPolarHBondContact CB-O 3.34Å; F12-T35 PolarHBondContact N-O 3.39Å; T35-G59 WeakPolarHBondContact CA-O 3.4Å; T35-H61 PolarHBondContact OG1-ND1 3.19Å; T35-H121 WeakPolarHBondContact CG2-CE1 3.14Å; T35-H121 WeakPolarHBondContact CG2-NE2 3.32Å; T35-D123 WeakPolarHBondContact CB-OD1 3.49Å; T35-D123 WeakPolarHBondContact CG2-OD1 3.41Å; T35-D123 PolarHBondContact OG1-OD1 3.47Å; T35-D123 PolarHBondContact OG1-OD2 3.33Å
36A98.9Very high98.5Very high0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-96.3127.3-171.800000113F12 V38 I43 I58 G59 H61 F111 F115F12-A36 HydrophobicContact CD1-CB 4.45Å; F12-A36 CarbonylContact O-C 3.51Å; F12-A36 WeakPolarHBondContact O-CA 3.38Å; A36-V38 PolarHBondContact O-N 3.29Å; A36-I43 HydrophobicContact CB-CD1 3.96Å; A36-I58 HydrophobicContact CB-CG2 4.09Å; A36-G59 PolarHBondContact N-O 3.05Å; A36-H61 PolarHBondContact O-N 3.42Å; A36-F111 HydrophobicContact CB-CE2 4.07Å; A36-F115 HydrophobicContact CB-CE2 3.83Å; A36-F115 HydrophobicContact CB-CZ 3.8Å
37L98.8Very high98.5Very high0 Ų030 Ų300%015%0.152CC..  trans-76.194.7169.7-64.9162.6000109D11 F12 L14 N39 G40 I43 H61 V63 M66 H125D11-L37 HydrophobicContact CB-CD1 3.94Å; F12-L37 PolarHBondContact O-N 3.32Å; L14-L37 HydrophobicContact CB-CD1 3.65Å; L14-L37 HydrophobicContact CD1-CD1 4.2Å; L14-L37 HydrophobicContact CG-CD1 4.45Å; L37-N39 PolarHBondContact O-N 3.46Å; L37-N39 VanDerWaalsContact O-N 3.17Å; L37-G40 WeakPolarHBondContact O-CA 3.38Å; L37-G40 PolarHBondContact O-N 3.38Å; L37-I43 WeakPolarHBondContact O-CD1 3.35Å; L37-H61 HydrophobicContact CD2-CB 4.11Å; L37-H61 VanDerWaalsContact CD2-CD2 3.44Å; L37-H61 WeakPolarHBondContact CD2-CD2 3.45Å; L37-H61 HydrophobicContact CG-CB 4.27Å; L37-V63 HydrophobicContact CB-CG2 4.44Å; L37-V63 HydrophobicContact CD2-CG2 3.14Å; L37-V63 HydrophobicContact CG-CG2 4.36Å; L37-M66 HydrophobicContact CD1-CE 3.95Å; L37-M66 HydrophobicContact CD2-CE 4.22Å; L37-H125 HydrophobicContact CD2-CB 3.99Å
38V98.8Very high98.5Very high3 Ų329.9 Ų29.92%0.01816%0.156CC..THydrogen-bonded Turntrans-67-18.9-173.7-62.80000114.5A36 M60 L70 Q107 R110 F111 L114A36-V38 PolarHBondContact O-N 3.29Å; V38-M60 HydrophobicContact CG1-CG 4.24Å; V38-L70 HydrophobicContact CG2-CD1 4.34Å; V38-Q107 HydrophobicContact CG2-CB 3.61Å; V38-Q107 HydrophobicContact CG2-CG 3.66Å; V38-R110 HydrophobicContact CB-CB 4.5Å; V38-R110 HydrophobicContact CB-CG 4.09Å; V38-R110 HydrophobicContact CG2-CG 4.49Å; V38-F111 HydrophobicContact CG1-CB 3.84Å; V38-F111 HydrophobicContact CG1-CD2 3.9Å; V38-F111 HydrophobicContact CG1-CG 4.37Å; V38-L114 HydrophobicContact CB-CD1 4.22Å; V38-L114 HydrophobicContact CG1-CD1 4.29Å
39N98.1Very high98.5Very high30 Ų3026 Ų2616%0.1614%0.135CC..THydrogen-bonded Turntrans-97.85.4171.575.7-21.7000112.8L37 V63 M66 K68 L70L37-N39 PolarHBondContact O-N 3.46Å; L37-N39 VanDerWaalsContact O-N 3.17Å; N39-V63 WeakPolarHBondContact OD1-CG2 3.37Å; N39-M66 PolarHBondContact ND2-O 2.93Å; N39-K68 PolarHBondContact ND2-O 3.21Å; N39-L70 HydrophobicContact CB-CD2 4.43Å
40G97.8Very high98.5Very high6 Ų625.9 Ų25.96%0.06213%0.134CC..SBendtrans-70.2144.9-178.900000112.5G13 L37 A42 I43G13-G40 CarbonylContact O-C 3.45Å; G13-G40 VanDerWaalsContact O-C 3.27Å; G13-G40 WeakPolarHBondContact O-CA 3.4Å; L37-G40 WeakPolarHBondContact O-CA 3.38Å; L37-G40 PolarHBondContact O-N 3.38Å; G40-A42 PolarHBondContact O-N 3.09Å; G40-I43 WeakPolarHBondContact O-CB 3.44Å; G40-I43 VanDerWaalsContact O-CG2 3.29Å; G40-I43 WeakPolarHBondContact O-CG2 3.09Å; G40-I43 PolarHBondContact O-N 3.07Å; G40-I43 VanDerWaalsContact O-N 3.17Å
41Q97Very high98.4Very high169 Ų16934.6 Ų34.679%0.7917%0.166SC*.THydrogen-bonded Turntrans-61.1-29.3-174.9-175-179.52.900113.3G13G13-Q41 PolarHBondContact O-N 2.89Å
42A98.5Very high98.4Very high11 Ų1139.4 Ų39.49%0.09119%0.192CC..THydrogen-bonded Turntrans-107.423.5-178.400000112.8G13 S15 N19 G40 D44 H45 A46G13-A42 CarbonylContact O-C 3.57Å; G13-A42 VanDerWaalsContact O-C 3.31Å; G13-A42 VanDerWaalsContact O-CA 3.32Å; G13-A42 WeakPolarHBondContact O-CA 3.23Å; G13-A42 PolarHBondContact O-N 2.8Å; S15-A42 VanDerWaalsContact C-CB 3.43Å; S15-A42 VanDerWaalsContact CA-CB 3.48Å; N19-A42 WeakPolarHBondContact ND2-CB 3.2Å; N19-A42 PolarHBondContact ND2-O 2.81Å; G40-A42 PolarHBondContact O-N 3.09Å; A42-D44 PolarHBondContact O-N 2.81Å; A42-H45 HydrophobicContact CB-CB 4.4Å; A42-H45 WeakPolarHBondContact O-CB 3.38Å; A42-H45 PolarHBondContact O-N 3.5Å; A42-A46 PolarHBondContact O-N 3.33Å
43I98.7Very high98.3Very high9 Ų939.2 Ų39.25%0.04619%0.189CC..Hα-helixtrans-62.2-40.1-178.9-170.258.8000112.8G13 A36 L37 G40 H45 A46 V47 L114 F115G13-I43 PolarHBondContact O-N 2.87Å; A36-I43 HydrophobicContact CB-CD1 3.96Å; L37-I43 WeakPolarHBondContact O-CD1 3.35Å; G40-I43 WeakPolarHBondContact O-CB 3.44Å; G40-I43 VanDerWaalsContact O-CG2 3.29Å; G40-I43 WeakPolarHBondContact O-CG2 3.09Å; G40-I43 PolarHBondContact O-N 3.07Å; G40-I43 VanDerWaalsContact O-N 3.17Å; I43-H45 PolarHBondContact O-N 2.99Å; I43-A46 HydrophobicContact CD1-CB 4.37Å; I43-A46 WeakPolarHBondContact O-CB 3.38Å; I43-A46 PolarHBondContact O-N 3.3Å; I43-A46 VanDerWaalsContact O-N 3.1Å; I43-V47 WeakPolarHBondContact O-CG2 3.49Å; I43-V47 PolarHBondContact O-N 3.15Å; I43-L114 HydrophobicContact CD1-CD1 4.33Å; I43-L114 HydrophobicContact CG1-CD1 3.51Å; I43-L114 HydrophobicContact CG1-CD2 4.45Å; I43-F115 HydrophobicContact CD1-CE2 4.16Å; I43-F115 HydrophobicContact CD1-CZ 4.14Å
44D98.7Very high98.1Very high107 Ų10743.6 Ų43.657%0.57222%0.218SC*.Hα-helixtrans-63.9-34.2177.4-65-42.2000111.7A42 V47 Q48A42-D44 PolarHBondContact O-N 2.81Å; D44-V47 PolarHBondContact O-N 2.8Å; D44-Q48 PolarHBondContact O-N 3.29Å
45H98.7Very high98Very high23 Ų2347.2 Ų47.211%0.10624%0.243CC..Hα-helixtrans-68.7-39.6173.9-176.6-99.9000111.8N19 Y20 A42 I43 Q48 L49N19-H45 PolarHBondContact ND2-ND1 3.41Å; Y20-H45 AromaticContact CE1-CE1 3.94Å; Y20-H45 AromaticContact CE2-CE1 3.69Å; Y20-H45 AromaticContact CE2-NE2 3.86Å; Y20-H45 AromaticContact CZ-CE1 3.56Å; Y20-H45 AromaticContact CZ-NE2 3.52Å; Y20-H45 PolarHBondContact OH-NE2 2.98Å; A42-H45 HydrophobicContact CB-CB 4.4Å; A42-H45 WeakPolarHBondContact O-CB 3.38Å; A42-H45 PolarHBondContact O-N 3.5Å; I43-H45 PolarHBondContact O-N 2.99Å; H45-Q48 PolarHBondContact O-N 3.09Å; H45-L49 WeakPolarHBondContact CE1-CD1 3.43Å; H45-L49 WeakPolarHBondContact ND1-CD1 3.13Å; H45-L49 WeakPolarHBondContact O-CG 3.32Å; H45-L49 PolarHBondContact O-N 3.04Å
46A98.8Very high98Very high0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-61.9-43.2173.500000111.5F12 N19 A42 I43 Q48 L49 S50F12-A46 HydrophobicContact CD1-CB 3.67Å; F12-A46 HydrophobicContact CD2-CB 3.94Å; F12-A46 HydrophobicContact CE1-CB 3.52Å; F12-A46 WeakPolarHBondContact CE1-O 3.33Å; F12-A46 HydrophobicContact CE2-CB 3.8Å; F12-A46 HydrophobicContact CG-CB 3.88Å; F12-A46 HydrophobicContact CZ-CB 3.58Å; F12-A46 VanDerWaalsContact CZ-O 3.31Å; F12-A46 WeakPolarHBondContact CZ-O 3.44Å; N19-A46 PolarHBondContact ND2-N 2.92Å; A42-A46 PolarHBondContact O-N 3.33Å; I43-A46 HydrophobicContact CD1-CB 4.37Å; I43-A46 WeakPolarHBondContact O-CB 3.38Å; I43-A46 PolarHBondContact O-N 3.3Å; I43-A46 VanDerWaalsContact O-N 3.1Å; A46-Q48 PolarHBondContact O-N 3.45Å; A46-L49 PolarHBondContact O-N 3.35Å; A46-S50 WeakPolarHBondContact O-CB 3.43Å; A46-S50 PolarHBondContact O-N 3.02Å
47V98.7Very high98Very high10 Ų1047.2 Ų47.26%0.06124%0.243CC..Hα-helixtrans-59-46.7173.5171.40000111I43 D44 S50 R51 L114 F115I43-V47 WeakPolarHBondContact O-CG2 3.49Å; I43-V47 PolarHBondContact O-N 3.15Å; D44-V47 PolarHBondContact O-N 2.8Å; V47-S50 PolarHBondContact O-N 3.08Å; V47-S50 PolarHBondContact O-OG 2.91Å; V47-R51 PolarHBondContact O-N 3.17Å; V47-L114 VanDerWaalsContact CG1-O 3.26Å; V47-L114 WeakPolarHBondContact CG1-O 3.45Å; V47-L114 HydrophobicContact CG2-CB 3.82Å; V47-L114 HydrophobicContact CG2-CD2 4.09Å; V47-L114 HydrophobicContact CG2-CG 4.48Å; V47-F115 HydrophobicContact CB-CE1 4.45Å; V47-F115 HydrophobicContact CG2-CD1 4.15Å; V47-F115 HydrophobicContact CG2-CD2 4.48Å; V47-F115 HydrophobicContact CG2-CE1 3.82Å; V47-F115 HydrophobicContact CG2-CE2 4.17Å; V47-F115 HydrophobicContact CG2-CG 4.48Å; V47-F115 HydrophobicContact CG2-CZ 3.83Å
48Q98.3Very high98Very high119 Ų11947.2 Ų47.256%0.55624%0.243SC*.Hα-helixtrans-58.5-51.9177.8-176.6179.2-0.400111.4D44 H45 A46 S50 R51D44-Q48 PolarHBondContact O-N 3.29Å; H45-Q48 PolarHBondContact O-N 3.09Å; A46-Q48 PolarHBondContact O-N 3.45Å; Q48-S50 VanDerWaalsContact C-N 3.28Å; Q48-S50 PolarHBondContact O-N 3.4Å; Q48-R51 WeakPolarHBondContact O-CB 3.31Å; Q48-R51 PolarHBondContact O-N 3.19Å
49L98.5Very high98Very high17 Ų1747.1 Ų47.19%0.08924%0.242CC..Hα-helixtrans-61.5-35.5179.7-72171.2000112.7F12 N19 Y20 I23 H45 A46 R51 D52 E53F12-L49 HydrophobicContact CZ-CB 4.35Å; N19-L49 HydrophobicContact CB-CD1 3.79Å; Y20-L49 HydrophobicContact CD1-CD1 4.23Å; Y20-L49 HydrophobicContact CD1-CD2 4.46Å; Y20-L49 HydrophobicContact CE1-CD1 4.27Å; Y20-L49 HydrophobicContact CE1-CD2 4.02Å; I23-L49 HydrophobicContact CD1-CB 4.11Å; I23-L49 HydrophobicContact CG1-CB 4.01Å; I23-L49 HydrophobicContact CG1-CD1 4Å; I23-L49 HydrophobicContact CG1-CG 4.44Å; H45-L49 WeakPolarHBondContact CE1-CD1 3.43Å; H45-L49 WeakPolarHBondContact ND1-CD1 3.13Å; H45-L49 WeakPolarHBondContact O-CG 3.32Å; H45-L49 PolarHBondContact O-N 3.04Å; A46-L49 PolarHBondContact O-N 3.35Å; L49-R51 PolarHBondContact O-N 2.99Å; L49-D52 PolarHBondContact O-N 3.16Å; L49-D52 VanDerWaalsContact O-N 3.08Å; L49-E53 PolarHBondContact O-N 3.49Å
50S97.8Very high98Very high9 Ų945.7 Ų45.76%0.06323%0.234CC..Hα-helixtrans-63.4-24.2179.675.40000114.2A46 V47 Q48 D52 E53A46-S50 WeakPolarHBondContact O-CB 3.43Å; A46-S50 PolarHBondContact O-N 3.02Å; V47-S50 PolarHBondContact O-N 3.08Å; V47-S50 PolarHBondContact O-OG 2.91Å; Q48-S50 VanDerWaalsContact C-N 3.28Å; Q48-S50 PolarHBondContact O-N 3.4Å; S50-D52 VanDerWaalsContact C-N 3.29Å; S50-E53 CarbonylContact O-C 3.54Å; S50-E53 PolarHBondContact O-N 3.46Å
51R97.2Very high98.1Very high184 Ų18445.4 Ų45.469%0.69423%0.232SC*.Hα-helixtrans-70.7-32176.5-65171.3-177.21721.3111.2V47 Q48 L49 E53V47-R51 PolarHBondContact O-N 3.17Å; Q48-R51 WeakPolarHBondContact O-CB 3.31Å; Q48-R51 PolarHBondContact O-N 3.19Å; L49-R51 PolarHBondContact O-N 2.99Å; R51-E53 VanDerWaalsContact C-N 3.32Å
52D96.9Very high98.1Very high104 Ų10437.4 Ų37.456%0.55619%0.194SC*.SBendtrans-89.2-1.1178.6-58-29.6000112.4R27 L49 S50R27-D52 PolarHBondContact NH2-O 3.24Å; L49-D52 PolarHBondContact O-N 3.16Å; L49-D52 VanDerWaalsContact O-N 3.08Å; S50-D52 VanDerWaalsContact C-N 3.29Å
53E97.6Very high98.2Very high23 Ų2336.9 Ų36.911%0.10719%0.19CC..  trans-134.467.8-179.4-162.355.1-111.300112.1I23 R27 L49 S50 R51 S55 L56I23-E53 HydrophobicContact CD1-CB 3.91Å; I23-E53 HydrophobicContact CD1-CG 4.14Å; R27-E53 WeakPolarHBondContact CG-OE2 3.41Å; R27-E53 IonicContact CZ-OE2 3.63Å; R27-E53 IonicContact NE-OE2 2.76Å; R27-E53 PolarHBondContact NE-OE2 3.29Å; R27-E53 IonicContact NH2-OE2 3.63Å; L49-E53 PolarHBondContact O-N 3.49Å; S50-E53 CarbonylContact O-C 3.54Å; S50-E53 PolarHBondContact O-N 3.46Å; R51-E53 VanDerWaalsContact C-N 3.32Å; E53-S55 PolarHBondContact O-N 3.07Å; E53-S55 PolarHBondContact OE1-OG 3.5Å; E53-L56 HydrophobicContact CB-CB 4.48Å; E53-L56 HydrophobicContact CG-CB 3.87Å; E53-L56 PolarHBondContact O-N 3.34Å
54P95.5Very high98.1Very high92 Ų9236.4 Ų36.460%0.59719%0.187SC*.THydrogen-bonded Turntrans-67.6-16.5-176.928.2-35.9000113.9L56P54-L56 VanDerWaalsContact C-N 3.32Å
55S95.9Very high98.1Very high75 Ų7531.7 Ų31.752%0.52416%0.163SC..THydrogen-bonded Turntrans-70.4-29.3177.278.60000112.1E53 A57E53-S55 PolarHBondContact O-N 3.07Å; E53-S55 PolarHBondContact OE1-OG 3.5Å; S55-A57 PolarHBondContact O-N 3.34Å
56L98.5Very high98Very high0 Ų033 Ų330%017%0.169CC..SBendtrans-73.4118.5-179.7-175.158.8000110.9I22 I23 C26 V31 T34 E53 P54 I58I22-L56 HydrophobicContact CG2-CD2 4.27Å; I23-L56 HydrophobicContact CD1-CD2 3.99Å; C26-L56 HydrophobicContact CB-CD1 4.28Å; V31-L56 HydrophobicContact CG1-CD1 4.31Å; T34-L56 HydrophobicContact CG2-CD1 4Å; T34-L56 HydrophobicContact CG2-CD2 3.7Å; T34-L56 HydrophobicContact CG2-CG 3.83Å; E53-L56 HydrophobicContact CB-CB 4.48Å; E53-L56 HydrophobicContact CG-CB 3.87Å; E53-L56 PolarHBondContact O-N 3.34Å; P54-L56 VanDerWaalsContact C-N 3.32Å; L56-I58 HydrophobicContact CG-CG1 4.21Å
57A98.6Very high97.9Very high0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-74.7134.9168.100000109.9T32 S33 T34 S55 T120T32-A57 PolarHBondContact O-N 2.85Å; T32-A57 VanDerWaalsContact O-N 3.09Å; S33-A57 CarbonylContact C-O 3.53Å; S33-A57 WeakPolarHBondContact CA-O 3.27Å; T34-A57 PolarHBondContact N-O 3.32Å; S55-A57 PolarHBondContact O-N 3.34Å; A57-T120 HydrophobicContact CB-CG2 4.11Å
58I98.9Very high97.9Very high1 Ų140.9 Ų40.91%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-123.6115.7-176.5-58.8166.3000108.8F12 T34 A36 L56 F111 F115 T120F12-I58 HydrophobicContact CE1-CD1 4.25Å; T34-I58 HydrophobicContact CG2-CB 4.38Å; T34-I58 HydrophobicContact CG2-CG1 3.78Å; T34-I58 HydrophobicContact CG2-CG2 4.35Å; T34-I58 CarbonylContact O-C 3.59Å; T34-I58 WeakPolarHBondContact O-CA 3.15Å; A36-I58 HydrophobicContact CB-CG2 4.09Å; L56-I58 HydrophobicContact CG-CG1 4.21Å; I58-F111 HydrophobicContact CB-CZ 4.4Å; I58-F111 HydrophobicContact CG2-CE2 3.84Å; I58-F111 HydrophobicContact CG2-CZ 3.75Å; I58-F115 HydrophobicContact CD1-CD1 4.28Å; I58-F115 HydrophobicContact CD1-CE1 3.95Å; I58-F115 HydrophobicContact CG2-CE1 4.1Å; I58-F115 HydrophobicContact CG2-CE2 4.47Å; I58-F115 HydrophobicContact CG2-CZ 4.05Å; I58-T120 PolarHBondContact O-N 2.98Å; I58-T120 PolarHBondContact O-OG1 3.43Å
59G98.9Very high97.9Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-95.4178.6167.400000112.2T34 T35 A36 F111 H121T34-G59 PolarHBondContact O-N 3.37Å; T35-G59 WeakPolarHBondContact CA-O 3.4Å; A36-G59 PolarHBondContact N-O 3.05Å; G59-F111 WeakPolarHBondContact O-CE2 3.17Å; G59-H121 CarbonylContact C-O 3.55Å; G59-H121 WeakPolarHBondContact CA-ND1 3.4Å; G59-H121 WeakPolarHBondContact CA-O 3.42Å
60M98.9Very high97.9Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-103.2125.7175.2-179.2-174.190.500109.8V38 F62 L104 Q107 Y108 F111 P119 H121 L122 D123V38-M60 HydrophobicContact CG1-CG 4.24Å; M60-F62 HydrophobicContact CE-CB 4.16Å; M60-F62 HydrophobicContact CE-CD2 4.39Å; M60-F62 PolarHBondContact O-N 2.7Å; M60-L104 HydrophobicContact CE-CD1 3.78Å; M60-Q107 HydrophobicContact CE-CB 4.26Å; M60-Q107 HydrophobicContact SD-CB 4.01Å; M60-Y108 WeakPolarHBondContact SD-CA 3.31Å; M60-Y108 PolarHBondContact SD-N 3.44Å; M60-Y108 VanDerWaalsContact SD-N 3.42Å; M60-F111 HydrophobicContact CB-CD2 3.7Å; M60-F111 HydrophobicContact CB-CE2 4.21Å; M60-F111 HydrophobicContact CB-CG 4.25Å; M60-F111 HydrophobicContact CG-CB 4.42Å; M60-F111 HydrophobicContact CG-CD2 4.08Å; M60-F111 HydrophobicContact SD-CB 4.21Å; M60-P119 HydrophobicContact CB-CB 3.96Å; M60-P119 HydrophobicContact CB-CG 4.04Å; M60-H121 PolarHBondContact N-O 3.45Å; M60-L122 HydrophobicContact CB-CD2 3.67Å; M60-L122 HydrophobicContact CE-CD2 3.59Å; M60-L122 HydrophobicContact CG-CD2 4.4Å; M60-L122 HydrophobicContact SD-CD2 4.26Å; M60-D123 PolarHBondContact O-N 2.99Å
61H98.9Very high97.9Very high1 Ų140.1 Ų40.11%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-89.992175-153.341.9000108.5D10 D11 T35 A36 L37 V63 D123 S124 H125D10-H61 IonicContact OD2-CE1 3.58Å; D10-H61 PolarHBondContact OD2-CE1 3.34Å; D10-H61 IonicContact OD2-NE2 3.34Å; D11-H61 IonicContact OD1-CD2 3.6Å; D11-H61 IonicContact OD1-NE2 3.72Å; D11-H61 PolarHBondContact OD1-NE2 3.2Å; T35-H61 PolarHBondContact OG1-ND1 3.19Å; A36-H61 PolarHBondContact O-N 3.42Å; L37-H61 HydrophobicContact CD2-CB 4.11Å; L37-H61 VanDerWaalsContact CD2-CD2 3.44Å; L37-H61 WeakPolarHBondContact CD2-CD2 3.45Å; L37-H61 HydrophobicContact CG-CB 4.27Å; H61-V63 WeakPolarHBondContact O-CG2 3.44Å; H61-V63 PolarHBondContact O-N 3.1Å; H61-D123 VanDerWaalsContact CA-OD1 3.3Å; H61-D123 WeakPolarHBondContact CA-OD1 3.48Å; H61-D123 IonicContact CE1-OD1 3.55Å; H61-D123 IonicContact CE1-OD2 3.59Å; H61-D123 PolarHBondContact CE1-OD2 3.3Å; H61-D123 VanDerWaalsContact CE1-OD2 3.26Å; H61-D123 IonicContact CG-OD1 3.88Å; H61-D123 IonicContact ND1-OD1 2.85Å; H61-D123 PolarHBondContact ND1-OD1 3.2Å; H61-D123 IonicContact ND1-OD2 2.82Å; H61-D123 PolarHBondContact ND1-OD2 3.31Å; H61-S124 PolarHBondContact CE1-O 3.17Å; H61-S124 VanDerWaalsContact CE1-O 3.3Å; H61-H125 AromaticContact CD2-ND1 4Å; H61-H125 PolarHBondContact CE1-N 3.02Å; H61-H125 VanDerWaalsContact NE2-CA 3.32Å; H61-H125 WeakPolarHBondContact NE2-CA 3.5Å; H61-H125 AromaticContact NE2-ND1 3.63Å
62F98.8Very high97.9Very high0 Ų035.4 Ų35.40%021%0.213CC..EExtended strand (participates in β ladder)trans-61.1129.7-176.6-179.8-138.2000111M60 L64 I100 E103 L104 Q107 D123 S124 H125 V138M60-F62 HydrophobicContact CE-CB 4.16Å; M60-F62 HydrophobicContact CE-CD2 4.39Å; M60-F62 PolarHBondContact O-N 2.7Å; F62-L64 HydrophobicContact CD1-CD1 4.41Å; F62-L64 HydrophobicContact CD1-CG 4.44Å; F62-L64 HydrophobicContact CE1-CD1 3.62Å; F62-L64 HydrophobicContact CE1-CD2 4.22Å; F62-L64 HydrophobicContact CE1-CG 3.84Å; F62-L64 HydrophobicContact CE2-CD2 4.04Å; F62-L64 HydrophobicContact CE2-CG 4.28Å; F62-L64 HydrophobicContact CZ-CD1 3.87Å; F62-L64 HydrophobicContact CZ-CD2 3.61Å; F62-L64 HydrophobicContact CZ-CG 3.74Å; F62-I100 HydrophobicContact CE1-CG2 4.24Å; F62-I100 HydrophobicContact CZ-CG2 4.14Å; F62-E103 HydrophobicContact CE2-CG 4.18Å; F62-L104 HydrophobicContact CD1-CD1 4.23Å; F62-L104 HydrophobicContact CD2-CD1 4.01Å; F62-L104 HydrophobicContact CE1-CB 4.44Å; F62-L104 HydrophobicContact CE1-CD1 4.31Å; F62-L104 HydrophobicContact CE2-CB 3.95Å; F62-L104 HydrophobicContact CE2-CD1 4.14Å; F62-L104 HydrophobicContact CG-CD1 4.08Å; F62-L104 HydrophobicContact CZ-CB 3.82Å; F62-L104 HydrophobicContact CZ-CD1 4.28Å; F62-Q107 VanDerWaalsContact CD2-OE1 3.3Å; F62-D123 VanDerWaalsContact CB-O 3.25Å; F62-D123 WeakPolarHBondContact CB-O 3.5Å; F62-D123 PolarHBondContact N-O 2.83Å; F62-S124 CarbonylContact O-C 3.52Å; F62-S124 WeakPolarHBondContact O-CA 3.35Å; F62-S124 WeakPolarHBondContact O-CB 3.24Å; F62-H125 PolarHBondContact O-N 2.85Å; F62-V138 HydrophobicContact CD1-CG2 4.29Å; F62-V138 HydrophobicContact CE1-CG2 4.29Å
63V98.6Very high97.9Very high0 Ų030.6 Ų30.60%019%0.187CC..  trans-115.3123.6-173.5-179.70000111.7L37 N39 H61 M66 L82 Q107 H125L37-V63 HydrophobicContact CB-CG2 4.44Å; L37-V63 HydrophobicContact CD2-CG2 3.14Å; L37-V63 HydrophobicContact CG-CG2 4.36Å; N39-V63 WeakPolarHBondContact OD1-CG2 3.37Å; H61-V63 WeakPolarHBondContact O-CG2 3.44Å; H61-V63 PolarHBondContact O-N 3.1Å; V63-M66 HydrophobicContact CG1-CB 4.09Å; V63-M66 WeakPolarHBondContact CG1-O 3.18Å; V63-L82 HydrophobicContact CG1-CD1 4.21Å; V63-Q107 PolarHBondContact O-NE2 3.46Å; V63-H125 HydrophobicContact CG2-CB 4.18Å
64L98.7Very high97.9Very high0 Ų034.4 Ų34.40%021%0.213CC..SBendtrans-128.79.9170.4-61.8175.3000113.4F62 M73 L76 I86 I100 E103 V128 I134F62-L64 HydrophobicContact CD1-CD1 4.41Å; F62-L64 HydrophobicContact CD1-CG 4.44Å; F62-L64 HydrophobicContact CE1-CD1 3.62Å; F62-L64 HydrophobicContact CE1-CD2 4.22Å; F62-L64 HydrophobicContact CE1-CG 3.84Å; F62-L64 HydrophobicContact CE2-CD2 4.04Å; F62-L64 HydrophobicContact CE2-CG 4.28Å; F62-L64 HydrophobicContact CZ-CD1 3.87Å; F62-L64 HydrophobicContact CZ-CD2 3.61Å; F62-L64 HydrophobicContact CZ-CG 3.74Å; L64-M73 HydrophobicContact CD2-CE 3.94Å; L64-L76 HydrophobicContact CB-CD2 4.12Å; L64-L76 HydrophobicContact CD2-CD2 3.9Å; L64-L76 HydrophobicContact CG-CD2 4.47Å; L64-I86 HydrophobicContact CB-CD1 3.66Å; L64-I86 HydrophobicContact CD1-CD1 3.85Å; L64-I86 HydrophobicContact CG-CD1 4.42Å; L64-I100 HydrophobicContact CD1-CD1 4.42Å; L64-I100 HydrophobicContact CD1-CG1 4.12Å; L64-I100 HydrophobicContact CD1-CG2 3.99Å; L64-I100 HydrophobicContact CD2-CG1 4.32Å; L64-E103 HydrophobicContact CD2-CG 4.31Å; L64-V128 HydrophobicContact CB-CG2 4.09Å; L64-V128 HydrophobicContact CD1-CG2 4.03Å; L64-V128 HydrophobicContact CG-CG2 4.26Å; L64-I134 HydrophobicContact CD1-CD1 3.89Å
65T98Very high98Very high8 Ų831.8 Ų31.85%0.04920%0.204CC..SBendtrans-136.41.3-168.748.50000114.9G83 I86 W87 H125 H126 V128T65-G83 WeakPolarHBondContact O-CA 3.43Å; T65-I86 HydrophobicContact CG2-CB 4.49Å; T65-I86 HydrophobicContact CG2-CG2 3.39Å; T65-W87 HydrophobicContact CG2-CE3 4.34Å; T65-W87 HydrophobicContact CG2-CH2 3.97Å; T65-W87 HydrophobicContact CG2-CZ3 3.52Å; T65-H125 PolarHBondContact OG1-CD2 3.28Å; T65-H126 WeakPolarHBondContact CB-ND1 3.31Å; T65-H126 PolarHBondContact OG1-ND1 3.16Å; T65-V128 HydrophobicContact CG2-CG1 3.7Å
66M96.6Very high98.1Very high49 Ų4928.3 Ų28.324%0.24118%0.179CC..SBendtrans-147.9140.7-177.3-172.8-169.165.600111.2L14 L37 N39 V63L14-M66 HydrophobicContact CD1-CE 3.79Å; L14-M66 HydrophobicContact CD1-SD 3.56Å; L14-M66 VanDerWaalsContact CD1-SD 3.56Å; L37-M66 HydrophobicContact CD1-CE 3.95Å; L37-M66 HydrophobicContact CD2-CE 4.22Å; N39-M66 PolarHBondContact ND2-O 2.93Å; V63-M66 HydrophobicContact CG1-CB 4.09Å; V63-M66 WeakPolarHBondContact CG1-O 3.18Å
67G96.5Very high98.1Very high30 Ų3029.6 Ų29.631%0.30919%0.187SC..SBendtrans71.7-165.6173.600000112.9L82G67-L82 WeakPolarHBondContact O-CB 3.39Å; G67-L82 PolarHBondContact O-N 2.57Å
68K98Very high98Very high146 Ų14636 Ų3664%0.63521%0.211SC*.  trans-90.1143.3176-63.2-174.2176.6-179.40109.6N39 V81N39-K68 PolarHBondContact ND2-O 3.21Å; K68-V81 HydrophobicContact CG-CG2 4.41Å
69P98.4Very high97.8Very high23 Ų2344 Ų4415%0.14925%0.254CS..  trans-69.8166.6169.532.6-35.1000111.1T71 M73 T77 L82 E103P69-T71 WeakPolarHBondContact CG-O 3.26Å; P69-M73 HydrophobicContact CB-CG 3.9Å; P69-M73 HydrophobicContact CB-SD 3.5Å; P69-M73 WeakPolarHBondContact CB-SD 3.23Å; P69-M73 HydrophobicContact CG-CB 4.3Å; P69-M73 HydrophobicContact CG-CG 4.1Å; P69-M73 HydrophobicContact CG-SD 4.18Å; P69-T77 HydrophobicContact CG-CG2 3.76Å; P69-L82 HydrophobicContact CB-CD1 4.14Å; P69-L82 HydrophobicContact CB-CD2 4.48Å; P69-L82 HydrophobicContact CB-CG 4.36Å; P69-E103 WeakPolarHBondContact CA-OE1 3.33Å
70L98.4Very high97.7Very high75 Ų7545.6 Ų45.639%0.39327%0.271SS..SBendtrans-85.5-16.9171.9-56.6-173.5000112.8V38 N39 E103 Q107 R110V38-L70 HydrophobicContact CG2-CD1 4.34Å; N39-L70 HydrophobicContact CB-CD2 4.43Å; L70-E103 PolarHBondContact N-OE1 2.87Å; L70-E103 PolarHBondContact N-OE2 2.89Å; L70-E103 VanDerWaalsContact N-OE2 3.07Å; L70-Q107 HydrophobicContact CD1-CB 4.44Å; L70-Q107 HydrophobicContact CD1-CG 3.9Å; L70-Q107 HydrophobicContact CG-CG 4.24Å; L70-R110 HydrophobicContact CD1-CB 3.5Å; L70-R110 VanDerWaalsContact CD1-CB 3.5Å; L70-R110 HydrophobicContact CD1-CG 3.79Å
71T98.3Very high97.7Very high31 Ų3148.3 Ų48.319%0.1929%0.287CS..SBendtrans-117.7169.217861.20000112.2P69 M73 E103 S106P69-T71 WeakPolarHBondContact CG-O 3.26Å; T71-M73 PolarHBondContact O-N 3.28Å; T71-E103 WeakPolarHBondContact CB-OE2 3.3Å; T71-E103 WeakPolarHBondContact CG2-OE2 3.45Å; T71-E103 PolarHBondContact N-OE2 3.17Å; T71-E103 PolarHBondContact OG1-OE2 3.43Å; T71-S106 WeakPolarHBondContact CG2-OG 3.41Å
72A97.2Very high97.6Very high85 Ų8548.5 Ų48.570%0.70229%0.288SS*.  trans-74.6115.2171.500000109.5P74A72-P74 VanDerWaalsContact C-CD 3.46Å; A72-P74 WeakPolarHBondContact O-CD 3.49Å
73M97.9Very high97.6Very high4 Ų448.8 Ų48.82%0.0229%0.291CS..  trans-124.264.6-179.1-57.6-172.881.100111.8L64 P69 T71 G75 L76 T77 L82 E99 I100 E103L64-M73 HydrophobicContact CD2-CE 3.94Å; P69-M73 HydrophobicContact CB-CG 3.9Å; P69-M73 HydrophobicContact CB-SD 3.5Å; P69-M73 WeakPolarHBondContact CB-SD 3.23Å; P69-M73 HydrophobicContact CG-CB 4.3Å; P69-M73 HydrophobicContact CG-CG 4.1Å; P69-M73 HydrophobicContact CG-SD 4.18Å; T71-M73 PolarHBondContact O-N 3.28Å; M73-G75 PolarHBondContact O-N 3.12Å; M73-L76 HydrophobicContact CB-CB 4.32Å; M73-L76 HydrophobicContact CE-CB 4.19Å; M73-L76 HydrophobicContact CE-CD2 3.59Å; M73-L76 PolarHBondContact O-N 3.31Å; M73-L76 VanDerWaalsContact O-N 3.15Å; M73-T77 HydrophobicContact CB-CG2 4.04Å; M73-T77 WeakPolarHBondContact O-CB 3.35Å; M73-T77 WeakPolarHBondContact O-CG2 3.45Å; M73-T77 PolarHBondContact O-N 3.29Å; M73-T77 PolarHBondContact O-OG1 3.49Å; M73-L82 HydrophobicContact SD-CD2 4.04Å; M73-E99 WeakPolarHBondContact CA-OE2 3.5Å; M73-E99 HydrophobicContact CE-CB 4.01Å; M73-E99 HydrophobicContact CG-CB 4.37Å; M73-I100 HydrophobicContact CE-CG1 4.14Å; M73-E103 HydrophobicContact CE-CB 3.85Å; M73-E103 HydrophobicContact CE-CG 4.27Å; M73-E103 HydrophobicContact SD-CB 3.68Å; M73-E103 HydrophobicContact SD-CG 3.64Å
74P97.2Very high97.5Very high102 Ų10255.3 Ų55.366%0.66232%0.32SS*.THydrogen-bonded Turntrans-64.5-24.8-17727.8-35.5000113.6A72 L76 E99A72-P74 VanDerWaalsContact C-CD 3.46Å; A72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-L76 VanDerWaalsContact C-N 3.32Å; P74-E99 VanDerWaalsContact CD-OE1 3.29Å; P74-E99 WeakPolarHBondContact CD-OE1 3.21Å; P74-E99 WeakPolarHBondContact CG-OE1 3.4Å
75G97.3Very high97.4Very high38 Ų3857.8 Ų57.839%0.39233%0.329SS..THydrogen-bonded Turntrans-75.2-21.1174.800000113.7M73 E99M73-G75 PolarHBondContact O-N 3.12Å; G75-E99 WeakPolarHBondContact CA-OE2 3.24Å; G75-E99 PolarHBondContact N-OE1 2.67Å; G75-E99 PolarHBondContact N-OE2 3.31Å
76L97.4Very high97.4Very high1 Ų157.4 Ų57.41%0.00533%0.327CS..THydrogen-bonded Turntrans-117.3-18.7-175.3-167.957000114.8L64 M73 P74 L82 W85 I86 L89 P96 I100L64-L76 HydrophobicContact CB-CD2 4.12Å; L64-L76 HydrophobicContact CD2-CD2 3.9Å; L64-L76 HydrophobicContact CG-CD2 4.47Å; M73-L76 HydrophobicContact CB-CB 4.32Å; M73-L76 HydrophobicContact CE-CB 4.19Å; M73-L76 HydrophobicContact CE-CD2 3.59Å; M73-L76 PolarHBondContact O-N 3.31Å; M73-L76 VanDerWaalsContact O-N 3.15Å; P74-L76 VanDerWaalsContact C-N 3.32Å; L76-L82 HydrophobicContact CD2-CD2 3.93Å; L76-L82 HydrophobicContact CG-CD2 4Å; L76-W85 PolarHBondContact O-NE1 3.3Å; L76-I86 HydrophobicContact CD1-CB 3.9Å; L76-I86 HydrophobicContact CD1-CD1 4.06Å; L76-I86 HydrophobicContact CD1-CG1 3.74Å; L76-I86 HydrophobicContact CD2-CD1 4.14Å; L76-L89 HydrophobicContact CD1-CD1 3.73Å; L76-P96 HydrophobicContact CB-CG 3.88Å; L76-I100 HydrophobicContact CD2-CG1 4.22Å
77T98.1Very high97.5Very high28 Ų2859 Ų5917%0.17233%0.33CS..  trans-96.4148.6-178.656.80000112.7P69 M73 V81 L82P69-T77 HydrophobicContact CG-CG2 3.76Å; M73-T77 HydrophobicContact CB-CG2 4.04Å; M73-T77 WeakPolarHBondContact O-CB 3.35Å; M73-T77 WeakPolarHBondContact O-CG2 3.45Å; M73-T77 PolarHBondContact O-N 3.29Å; M73-T77 PolarHBondContact O-OG1 3.49Å; T77-V81 VanDerWaalsContact CA-O 3.28Å; T77-V81 WeakPolarHBondContact CA-O 3.3Å; T77-V81 WeakPolarHBondContact CB-O 3.41Å; T77-L82 HydrophobicContact CG2-CD2 3.96Å; T77-L82 HydrophobicContact CG2-CG 4.31Å
78R97Very high97.6Very high133 Ų13361.9 Ų61.950%0.50234%0.335SS..BIsolated β-bridgetrans-117.9125165.2-61.4-179.1-175.2-178.5-0.3107G80 V81 W85R78-G80 PolarHBondContact O-N 3.41Å; R78-G80 VanDerWaalsContact O-N 3.15Å; R78-V81 PolarHBondContact N-O 2.98Å; R78-V81 PolarHBondContact O-N 2.77Å; R78-W85 HydrophobicContact CB-CH2 3.73Å; R78-W85 HydrophobicContact CB-CZ2 3.74Å; R78-W85 HydrophobicContact CB-CZ3 4.28Å; R78-W85 HydrophobicContact CG-CD2 4.05Å; R78-W85 HydrophobicContact CG-CE3 4.36Å; R78-W85 HydrophobicContact CG-CH2 4.01Å; R78-W85 HydrophobicContact CG-CZ2 3.69Å; R78-W85 HydrophobicContact CG-CZ3 4.33Å; R78-W85 VanDerWaalsContact NH2-CB 3.32Å
79D95.7Very high97.5Very high170 Ų17056.4 Ų56.491%0.90931%0.313SS*.THydrogen-bonded Turntrans51.934.1-171.7-57.1-45.6000113.7V81D79-V81 VanDerWaalsContact C-N 3.27Å; D79-V81 PolarHBondContact O-N 2.91Å
80G96.5Very high97.5Very high34 Ų3455.9 Ų55.935%0.35131%0.31SS..THydrogen-bonded Turntrans73.411.3179.900000115.2R78R78-G80 PolarHBondContact O-N 3.41Å; R78-G80 VanDerWaalsContact O-N 3.15Å
81V97.8Very high97.5Very high57 Ų5760.2 Ų60.235%0.34533%0.329SS..BIsolated β-bridgetrans-113.9142.6179.5179.90000109.3K68 T77 R78 D79 W85K68-V81 HydrophobicContact CG-CG2 4.41Å; T77-V81 VanDerWaalsContact CA-O 3.28Å; T77-V81 WeakPolarHBondContact CA-O 3.3Å; T77-V81 WeakPolarHBondContact CB-O 3.41Å; R78-V81 PolarHBondContact N-O 2.98Å; R78-V81 PolarHBondContact O-N 2.77Å; D79-V81 VanDerWaalsContact C-N 3.27Å; D79-V81 PolarHBondContact O-N 2.91Å; V81-W85 WeakPolarHBondContact O-CZ2 3.5Å
82L98.1Very high97.4Very high4 Ų464.2 Ų64.22%0.02135%0.345CS..  trans-79.1151.1171.9-65.8165.7000110.3V63 G67 P69 M73 L76 T77V63-L82 HydrophobicContact CG1-CD1 4.21Å; G67-L82 WeakPolarHBondContact O-CB 3.39Å; G67-L82 PolarHBondContact O-N 2.57Å; P69-L82 HydrophobicContact CB-CD1 4.14Å; P69-L82 HydrophobicContact CB-CD2 4.48Å; P69-L82 HydrophobicContact CB-CG 4.36Å; M73-L82 HydrophobicContact SD-CD2 4.04Å; L76-L82 HydrophobicContact CD2-CD2 3.93Å; L76-L82 HydrophobicContact CG-CD2 4Å; T77-L82 HydrophobicContact CG2-CD2 3.96Å; T77-L82 HydrophobicContact CG2-CG 4.31Å
83G97Very high97.4Very high7 Ų766 Ų667%0.07234%0.343CS..  trans-165.8-178.5-177.200000115T65 W85 I86T65-G83 WeakPolarHBondContact O-CA 3.43Å; G83-W85 PolarHBondContact O-N 3.5Å; G83-W85 VanDerWaalsContact O-N 3.08Å; G83-I86 PolarHBondContact O-N 3.27Å
84K96.7Very high97.4Very high136 Ų13668.2 Ų68.259%0.59136%0.362SS*.THydrogen-bonded Turntrans-75.68.1-171.4-53.4-167.3174.7-175.40116.1I86 W87K84-I86 PolarHBondContact O-N 2.94Å; K84-W87 VanDerWaalsContact CA-CZ3 3.42Å; K84-W87 HydrophobicContact CB-CE3 3.73Å; K84-W87 HydrophobicContact CB-CH2 4.39Å; K84-W87 HydrophobicContact CB-CZ3 3.44Å; K84-W87 VanDerWaalsContact CB-CZ3 3.44Å; K84-W87 HydrophobicContact CD-CH2 4.33Å; K84-W87 HydrophobicContact CD-CZ3 4.15Å; K84-W87 HydrophobicContact CG-CE3 4.35Å; K84-W87 HydrophobicContact CG-CH2 4.13Å; K84-W87 HydrophobicContact CG-CZ3 3.55Å
85W97.4Very high97.4Very high53 Ų5364.1 Ų64.120%0.20133%0.334CS..THydrogen-bonded Turntrans-78.4-7.6170.351.878.5000113L76 R78 V81 G83 W87 Q88 L89L76-W85 PolarHBondContact O-NE1 3.3Å; R78-W85 HydrophobicContact CB-CH2 3.73Å; R78-W85 HydrophobicContact CB-CZ2 3.74Å; R78-W85 HydrophobicContact CB-CZ3 4.28Å; R78-W85 HydrophobicContact CG-CD2 4.05Å; R78-W85 HydrophobicContact CG-CE3 4.36Å; R78-W85 HydrophobicContact CG-CH2 4.01Å; R78-W85 HydrophobicContact CG-CZ2 3.69Å; R78-W85 HydrophobicContact CG-CZ3 4.33Å; R78-W85 VanDerWaalsContact NH2-CB 3.32Å; V81-W85 WeakPolarHBondContact O-CZ2 3.5Å; G83-W85 PolarHBondContact O-N 3.5Å; G83-W85 VanDerWaalsContact O-N 3.08Å; W85-W87 PolarHBondContact O-N 3.43Å; W85-Q88 WeakPolarHBondContact O-CB 3.47Å; W85-Q88 PolarHBondContact O-N 2.79Å; W85-Q88 VanDerWaalsContact O-N 3.14Å; W85-L89 PolarHBondContact O-N 2.99Å; W85-L89 VanDerWaalsContact O-N 3.13Å
86I98.2Very high97.5Very high0 Ų063.4 Ų63.40%032%0.323CS..Hα-helixtrans-57.2-32.4172.6-167173.8000112.4L64 T65 L76 G83 K84 L89 A90 L95 V128 F131 I134L64-I86 HydrophobicContact CB-CD1 3.66Å; L64-I86 HydrophobicContact CD1-CD1 3.85Å; L64-I86 HydrophobicContact CG-CD1 4.42Å; T65-I86 HydrophobicContact CG2-CB 4.49Å; T65-I86 HydrophobicContact CG2-CG2 3.39Å; L76-I86 HydrophobicContact CD1-CB 3.9Å; L76-I86 HydrophobicContact CD1-CD1 4.06Å; L76-I86 HydrophobicContact CD1-CG1 3.74Å; L76-I86 HydrophobicContact CD2-CD1 4.14Å; G83-I86 PolarHBondContact O-N 3.27Å; K84-I86 PolarHBondContact O-N 2.94Å; I86-L89 PolarHBondContact O-N 3.17Å; I86-A90 WeakPolarHBondContact O-CB 3.3Å; I86-A90 PolarHBondContact O-N 2.7Å; I86-L95 HydrophobicContact CD1-CD2 4.16Å; I86-L95 HydrophobicContact CG1-CD2 3.45Å; I86-L95 VanDerWaalsContact CG1-CD2 3.45Å; I86-V128 HydrophobicContact CD1-CB 4.45Å; I86-V128 HydrophobicContact CD1-CG1 4.35Å; I86-V128 HydrophobicContact CG2-CG1 4.15Å; I86-F131 HydrophobicContact CD1-CE2 4.28Å; I86-F131 HydrophobicContact CG1-CE2 4.06Å; I86-F131 HydrophobicContact CG2-CE2 4.13Å; I86-I134 HydrophobicContact CD1-CD1 4.19Å
87W98.1Very high97.5Very high83 Ų8366.5 Ų66.531%0.31434%0.339SS..Hα-helixtrans-62.5-44.9176.5-77-93.9000111.3T65 K84 W85 L89 A90 E91 H126 F131T65-W87 HydrophobicContact CG2-CE3 4.34Å; T65-W87 HydrophobicContact CG2-CH2 3.97Å; T65-W87 HydrophobicContact CG2-CZ3 3.52Å; K84-W87 VanDerWaalsContact CA-CZ3 3.42Å; K84-W87 HydrophobicContact CB-CE3 3.73Å; K84-W87 HydrophobicContact CB-CH2 4.39Å; K84-W87 HydrophobicContact CB-CZ3 3.44Å; K84-W87 VanDerWaalsContact CB-CZ3 3.44Å; K84-W87 HydrophobicContact CD-CH2 4.33Å; K84-W87 HydrophobicContact CD-CZ3 4.15Å; K84-W87 HydrophobicContact CG-CE3 4.35Å; K84-W87 HydrophobicContact CG-CH2 4.13Å; K84-W87 HydrophobicContact CG-CZ3 3.55Å; W85-W87 PolarHBondContact O-N 3.43Å; W87-L89 VanDerWaalsContact C-N 3.35Å; W87-L89 PolarHBondContact O-N 2.93Å; W87-A90 WeakPolarHBondContact O-CB 3.38Å; W87-A90 PolarHBondContact O-N 3.49Å; W87-E91 WeakPolarHBondContact O-CG 3.44Å; W87-E91 PolarHBondContact O-N 2.87Å; W87-H126 HydrophobicContact CH2-CB 3.51Å; W87-H126 AromaticContact CH2-CG 3.62Å; W87-H126 AromaticContact CH2-ND1 3.64Å; W87-H126 HydrophobicContact CZ2-CB 3.67Å; W87-F131 AromaticContact CD1-CE1 3.96Å; W87-F131 AromaticContact CD1-CZ 3.58Å; W87-F131 HydrophobicContact CD2-CZ 4.19Å; W87-F131 AromaticContact CG-CZ 3.94Å; W87-F131 HydrophobicContact CG-CZ 3.94Å; W87-F131 AromaticContact NE1-CE1 3.96Å; W87-F131 AromaticContact NE1-CZ 3.67Å
88Q98Very high97.5Very high89 Ų8971.2 Ų71.242%0.41636%0.359SS..Hα-helixtrans-59.8-46.2174.3-178-174.3-1.400110.9W85 A90 E91 E92W85-Q88 WeakPolarHBondContact O-CB 3.47Å; W85-Q88 PolarHBondContact O-N 2.79Å; W85-Q88 VanDerWaalsContact O-N 3.14Å; Q88-A90 VanDerWaalsContact C-N 3.27Å; Q88-A90 PolarHBondContact O-N 2.82Å; Q88-E91 PolarHBondContact O-N 2.79Å; Q88-E92 HydrophobicContact CG-CG 4.43Å; Q88-E92 VanDerWaalsContact CG-OE1 3.24Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.36Å; Q88-E92 PolarHBondContact NE2-OE1 2.56Å; Q88-E92 WeakPolarHBondContact O-CB 3.38Å; Q88-E92 WeakPolarHBondContact O-CG 3.5Å; Q88-E92 PolarHBondContact O-N 3.5Å
89L97.7Very high97.6Very high31 Ų3166.6 Ų66.616%0.16234%0.343CS..Hα-helixtrans-62.9-34.3177.3-66.5173.3000112.4L76 W85 I86 W87 D93 A94 L95L76-L89 HydrophobicContact CD1-CD1 3.73Å; W85-L89 PolarHBondContact O-N 2.99Å; W85-L89 VanDerWaalsContact O-N 3.13Å; I86-L89 PolarHBondContact O-N 3.17Å; W87-L89 VanDerWaalsContact C-N 3.35Å; W87-L89 PolarHBondContact O-N 2.93Å; L89-D93 PolarHBondContact O-N 3.42Å; L89-A94 HydrophobicContact CD2-CB 3.99Å; L89-A94 PolarHBondContact O-N 3.09Å; L89-L95 HydrophobicContact CB-CD2 3.78Å; L89-L95 HydrophobicContact CB-CG 4.36Å
90A97.5Very high97.8Very high12 Ų1258.5 Ų58.510%0.09930%0.3CS..Hα-helixtrans-69.4-40.8176.300000112.1I86 W87 Q88 E92 D93 L95 F131 Q133I86-A90 WeakPolarHBondContact O-CB 3.3Å; I86-A90 PolarHBondContact O-N 2.7Å; W87-A90 WeakPolarHBondContact O-CB 3.38Å; W87-A90 PolarHBondContact O-N 3.49Å; Q88-A90 VanDerWaalsContact C-N 3.27Å; Q88-A90 PolarHBondContact O-N 2.82Å; A90-E92 VanDerWaalsContact C-N 3.33Å; A90-D93 PolarHBondContact O-N 2.64Å; A90-L95 HydrophobicContact CB-CD1 3.8Å; A90-L95 HydrophobicContact CB-CD2 4.34Å; A90-L95 HydrophobicContact CB-CG 4.19Å; A90-F131 HydrophobicContact CB-CD2 3.76Å; A90-F131 HydrophobicContact CB-CE2 3.94Å; A90-F131 HydrophobicContact CB-CG 4.21Å; A90-Q133 PolarHBondContact O-NE2 3.08Å
91E97.4Very high97.9Very high166 Ų16659.1 Ų59.178%0.77630%0.297SS*.Hα-helixtrans-65.7-36.4175-72.5173.1-171.700112.1W87 Q88 D93W87-E91 WeakPolarHBondContact O-CG 3.44Å; W87-E91 PolarHBondContact O-N 2.87Å; Q88-E91 PolarHBondContact O-N 2.79Å; E91-D93 VanDerWaalsContact C-N 3.29Å; E91-D93 PolarHBondContact O-N 2.95Å
92E97.5Very high97.9Very high115 Ų11560.7 Ų60.754%0.53730%0.301SS..THydrogen-bonded Turntrans-84.21.8178.8-67.8173-175.600113.6Q88 A90 A94Q88-E92 HydrophobicContact CG-CG 4.43Å; Q88-E92 VanDerWaalsContact CG-OE1 3.24Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.36Å; Q88-E92 PolarHBondContact NE2-OE1 2.56Å; Q88-E92 WeakPolarHBondContact O-CB 3.38Å; Q88-E92 WeakPolarHBondContact O-CG 3.5Å; Q88-E92 PolarHBondContact O-N 3.5Å; A90-E92 VanDerWaalsContact C-N 3.33Å; E92-A94 HydrophobicContact CB-CB 4.22Å; E92-A94 PolarHBondContact O-N 3.2Å
93D96.3Very high97.9Very high122 Ų12260.5 Ų60.565%0.65230%0.3SS*.THydrogen-bonded Turntrans52.236.1-173.9-156.140.5000113.8L89 A90 E91 Q133L89-D93 PolarHBondContact O-N 3.42Å; A90-D93 PolarHBondContact O-N 2.64Å; E91-D93 VanDerWaalsContact C-N 3.29Å; E91-D93 PolarHBondContact O-N 2.95Å; D93-Q133 WeakPolarHBondContact OD1-CG 3.38Å; D93-Q133 PolarHBondContact OD1-NE2 3.24Å
94A97.8Very high98Very high51 Ų5160.2 Ų60.242%0.42130%0.297SS..  trans-112.116.2-17300000113.2L89 E92L89-A94 HydrophobicContact CD2-CB 3.99Å; L89-A94 PolarHBondContact O-N 3.09Å; E92-A94 HydrophobicContact CB-CB 4.22Å; E92-A94 PolarHBondContact O-N 3.2Å
95L98.4Very high98.1Very high16 Ų1656.4 Ų56.48%0.08429%0.285CS..  trans-64.9131.5-179.8-70.4170.5000111.4I86 L89 A90 L97 I100 F131 Q133 I134I86-L95 HydrophobicContact CD1-CD2 4.16Å; I86-L95 HydrophobicContact CG1-CD2 3.45Å; I86-L95 VanDerWaalsContact CG1-CD2 3.45Å; L89-L95 HydrophobicContact CB-CD2 3.78Å; L89-L95 HydrophobicContact CB-CG 4.36Å; A90-L95 HydrophobicContact CB-CD1 3.8Å; A90-L95 HydrophobicContact CB-CD2 4.34Å; A90-L95 HydrophobicContact CB-CG 4.19Å; L95-L97 VanDerWaalsContact C-N 3.29Å; L95-L97 HydrophobicContact CB-CD2 3.83Å; L95-L97 PolarHBondContact O-N 2.89Å; L95-I100 HydrophobicContact CB-CD1 4.15Å; L95-I100 HydrophobicContact CD2-CD1 4.38Å; L95-F131 HydrophobicContact CD1-CD2 4.37Å; L95-Q133 HydrophobicContact CD1-CB 4.02Å; L95-Q133 HydrophobicContact CD1-CG 4.43Å; L95-I134 HydrophobicContact CD1-CD1 4.03Å; L95-I134 HydrophobicContact CD1-CG1 3.94Å
96P98.3Very high98.2Very high24 Ų2455.6 Ų55.616%0.15629%0.287CS..  trans-7878.3176.733.3-36.2000110.5L76 E98 E99 I100L76-P96 HydrophobicContact CB-CG 3.88Å; P96-E98 VanDerWaalsContact C-N 3.26Å; P96-E98 PolarHBondContact O-N 3.01Å; P96-E99 HydrophobicContact CB-CB 4.06Å; P96-E99 HydrophobicContact CB-CG 3.95Å; P96-E99 HydrophobicContact CG-CB 4.31Å; P96-E99 WeakPolarHBondContact O-CB 3.2Å; P96-E99 PolarHBondContact O-N 2.85Å; P96-I100 WeakPolarHBondContact O-CG1 3.32Å; P96-I100 PolarHBondContact O-N 2.79Å
97L98.5Very high98.2Very high66 Ų6655.6 Ų55.635%0.34629%0.287SS..Hα-helixtrans-59.9-31.5-170.9-60.4-176.3000114.2L95 I100 T101 Q133 I137L95-L97 VanDerWaalsContact C-N 3.29Å; L95-L97 HydrophobicContact CB-CD2 3.83Å; L95-L97 PolarHBondContact O-N 2.89Å; L97-I100 HydrophobicContact CD2-CD1 4.33Å; L97-T101 WeakPolarHBondContact O-CB 3.38Å; L97-T101 PolarHBondContact O-N 3.33Å; L97-T101 PolarHBondContact O-OG1 3.19Å; L97-Q133 HydrophobicContact CD2-CB 3.97Å; L97-I137 HydrophobicContact CB-CD1 3.99Å; L97-I137 HydrophobicContact CD2-CD1 4.03Å; L97-I137 HydrophobicContact CG-CD1 4.39Å
98E98.4Very high98.3Very high126 Ų12652.1 Ų52.159%0.58927%0.274SS*.Hα-helixtrans-67.7-45.2175-177.257.3-147.300111.3P96 I100 T101 Q102P96-E98 VanDerWaalsContact C-N 3.26Å; P96-E98 PolarHBondContact O-N 3.01Å; E98-I100 VanDerWaalsContact C-N 3.32Å; E98-I100 PolarHBondContact O-N 3.07Å; E98-T101 PolarHBondContact O-N 3.23Å; E98-Q102 WeakPolarHBondContact O-CG 3.42Å; E98-Q102 PolarHBondContact O-N 3.22Å; E98-Q102 PolarHBondContact OE1-NE2 3.27Å
99E98.5Very high98.3Very high36 Ų3652.7 Ų52.717%0.16828%0.279CS..Hα-helixtrans-61.5-43.3175.3-61.3-179.7-173.500110.6M73 P74 G75 P96 T101 Q102 E103M73-E99 WeakPolarHBondContact CA-OE2 3.5Å; M73-E99 HydrophobicContact CE-CB 4.01Å; M73-E99 HydrophobicContact CG-CB 4.37Å; P74-E99 VanDerWaalsContact CD-OE1 3.29Å; P74-E99 WeakPolarHBondContact CD-OE1 3.21Å; P74-E99 WeakPolarHBondContact CG-OE1 3.4Å; G75-E99 WeakPolarHBondContact CA-OE2 3.24Å; G75-E99 PolarHBondContact N-OE1 2.67Å; G75-E99 PolarHBondContact N-OE2 3.31Å; P96-E99 HydrophobicContact CB-CB 4.06Å; P96-E99 HydrophobicContact CB-CG 3.95Å; P96-E99 HydrophobicContact CG-CB 4.31Å; P96-E99 WeakPolarHBondContact O-CB 3.2Å; P96-E99 PolarHBondContact O-N 2.85Å; E99-T101 VanDerWaalsContact C-N 3.3Å; E99-T101 PolarHBondContact O-N 2.91Å; E99-Q102 PolarHBondContact O-N 2.9Å; E99-E103 WeakPolarHBondContact O-CB 3.42Å; E99-E103 PolarHBondContact O-N 3.14Å
100I98.8Very high98.4Very high0 Ų054.4 Ų54.40%028%0.284CS..Hα-helixtrans-60.8-40.5177.2-70.9164000111.2F62 L64 M73 L76 L95 P96 L97 E98 E103 L104 I134F62-I100 HydrophobicContact CE1-CG2 4.24Å; F62-I100 HydrophobicContact CZ-CG2 4.14Å; L64-I100 HydrophobicContact CD1-CD1 4.42Å; L64-I100 HydrophobicContact CD1-CG1 4.12Å; L64-I100 HydrophobicContact CD1-CG2 3.99Å; L64-I100 HydrophobicContact CD2-CG1 4.32Å; M73-I100 HydrophobicContact CE-CG1 4.14Å; L76-I100 HydrophobicContact CD2-CG1 4.22Å; L95-I100 HydrophobicContact CB-CD1 4.15Å; L95-I100 HydrophobicContact CD2-CD1 4.38Å; P96-I100 WeakPolarHBondContact O-CG1 3.32Å; P96-I100 PolarHBondContact O-N 2.79Å; L97-I100 HydrophobicContact CD2-CD1 4.33Å; E98-I100 VanDerWaalsContact C-N 3.32Å; E98-I100 PolarHBondContact O-N 3.07Å; I100-E103 PolarHBondContact O-N 2.88Å; I100-L104 WeakPolarHBondContact O-CB 3.22Å; I100-L104 PolarHBondContact O-N 3.29Å; I100-I134 HydrophobicContact CD1-CD1 3.99Å; I100-I134 HydrophobicContact CD1-CG1 4.3Å; I100-I134 HydrophobicContact CG2-CG2 4.27Å
101T98.7Very high98.4Very high47 Ų4753.9 Ų53.929%0.28828%0.279SS..Hα-helixtrans-65.4-44.1177.8-58.80000111.2L97 E98 E99 L104 V105 I137L97-T101 WeakPolarHBondContact O-CB 3.38Å; L97-T101 PolarHBondContact O-N 3.33Å; L97-T101 PolarHBondContact O-OG1 3.19Å; E98-T101 PolarHBondContact O-N 3.23Å; E99-T101 VanDerWaalsContact C-N 3.3Å; E99-T101 PolarHBondContact O-N 2.91Å; T101-L104 PolarHBondContact O-N 3.03Å; T101-V105 WeakPolarHBondContact O-CG2 3.29Å; T101-V105 PolarHBondContact O-N 2.99Å; T101-V105 VanDerWaalsContact O-N 3.17Å; T101-I137 HydrophobicContact CG2-CG2 4.37Å; T101-I137 WeakPolarHBondContact OG1-CG2 3.44Å
102Q98.7Very high98.5Very high91 Ų9148.5 Ų48.543%0.42526%0.255SS..Hα-helixtrans-65.7-39.5177.5-67.9174.317.800112.2E98 E99 V105 S106E98-Q102 WeakPolarHBondContact O-CG 3.42Å; E98-Q102 PolarHBondContact O-N 3.22Å; E98-Q102 PolarHBondContact OE1-NE2 3.27Å; E99-Q102 PolarHBondContact O-N 2.9Å; Q102-V105 PolarHBondContact O-N 3.08Å; Q102-S106 WeakPolarHBondContact O-CB 3.13Å; Q102-S106 PolarHBondContact O-N 3.33Å; Q102-S106 PolarHBondContact O-OG 3.28Å
103E98.8Very high98.5Very high0 Ų049.5 Ų49.50%026%0.26CS..Hα-helixtrans-66.3-40.8175.7-176.762.2-168.300111.8F62 L64 P69 L70 T71 M73 E99 I100 V105 S106 Q107F62-E103 HydrophobicContact CE2-CG 4.18Å; L64-E103 HydrophobicContact CD2-CG 4.31Å; P69-E103 WeakPolarHBondContact CA-OE1 3.33Å; L70-E103 PolarHBondContact N-OE1 2.87Å; L70-E103 PolarHBondContact N-OE2 2.89Å; L70-E103 VanDerWaalsContact N-OE2 3.07Å; T71-E103 WeakPolarHBondContact CB-OE2 3.3Å; T71-E103 WeakPolarHBondContact CG2-OE2 3.45Å; T71-E103 PolarHBondContact N-OE2 3.17Å; T71-E103 PolarHBondContact OG1-OE2 3.43Å; M73-E103 HydrophobicContact CE-CB 3.85Å; M73-E103 HydrophobicContact CE-CG 4.27Å; M73-E103 HydrophobicContact SD-CB 3.68Å; M73-E103 HydrophobicContact SD-CG 3.64Å; E99-E103 WeakPolarHBondContact O-CB 3.42Å; E99-E103 PolarHBondContact O-N 3.14Å; I100-E103 PolarHBondContact O-N 2.88Å; E103-V105 VanDerWaalsContact C-N 3.34Å; E103-V105 PolarHBondContact O-N 3.25Å; E103-S106 PolarHBondContact O-N 3.06Å; E103-Q107 HydrophobicContact CG-CG 4.29Å; E103-Q107 WeakPolarHBondContact O-CB 3.44Å; E103-Q107 WeakPolarHBondContact O-CG 3.19Å; E103-Q107 PolarHBondContact O-N 3.37Å; E103-Q107 WeakPolarHBondContact OE1-CG 3.38Å; E103-Q107 PolarHBondContact OE1-NE2 3.45Å
104L98.9Very high98.7Very high1 Ų144.6 Ų44.61%0.00523%0.233CC..Hα-helixtrans-56.9-47.317517662.5000111.6M60 F62 I100 T101 S106 Y108 L122 I137 V138 F141M60-L104 HydrophobicContact CE-CD1 3.78Å; F62-L104 HydrophobicContact CD1-CD1 4.23Å; F62-L104 HydrophobicContact CD2-CD1 4.01Å; F62-L104 HydrophobicContact CE1-CB 4.44Å; F62-L104 HydrophobicContact CE1-CD1 4.31Å; F62-L104 HydrophobicContact CE2-CB 3.95Å; F62-L104 HydrophobicContact CE2-CD1 4.14Å; F62-L104 HydrophobicContact CG-CD1 4.08Å; F62-L104 HydrophobicContact CZ-CB 3.82Å; F62-L104 HydrophobicContact CZ-CD1 4.28Å; I100-L104 WeakPolarHBondContact O-CB 3.22Å; I100-L104 PolarHBondContact O-N 3.29Å; T101-L104 PolarHBondContact O-N 3.03Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.16Å; L104-Y108 VanDerWaalsContact O-CB 3.32Å; L104-Y108 WeakPolarHBondContact O-CB 3.28Å; L104-Y108 PolarHBondContact O-N 3.17Å; L104-L122 HydrophobicContact CD1-CD1 4.5Å; L104-I137 HydrophobicContact CD2-CG2 4.25Å; L104-V138 HydrophobicContact CD2-CG2 4.15Å; L104-F141 HydrophobicContact CD1-CD1 4.31Å; L104-F141 HydrophobicContact CD2-CB 3.71Å; L104-F141 HydrophobicContact CD2-CD1 3.88Å; L104-F141 HydrophobicContact CD2-CD2 4.28Å; L104-F141 HydrophobicContact CD2-CG 3.69Å; L104-F141 HydrophobicContact CG-CD1 4.01Å; L104-F141 HydrophobicContact CG-CE1 4.26Å; L104-F141 HydrophobicContact CG-CG 4.17Å
105V98.8Very high98.7Very high56 Ų5643.3 Ų43.334%0.33922%0.218SC..Hα-helixtrans-61.8-44.5176.7175.20000110.7T101 Q102 E103 Y108 L109 F141T101-V105 WeakPolarHBondContact O-CG2 3.29Å; T101-V105 PolarHBondContact O-N 2.99Å; T101-V105 VanDerWaalsContact O-N 3.17Å; Q102-V105 PolarHBondContact O-N 3.08Å; E103-V105 VanDerWaalsContact C-N 3.34Å; E103-V105 PolarHBondContact O-N 3.25Å; V105-Y108 WeakPolarHBondContact O-CB 3.18Å; V105-Y108 PolarHBondContact O-N 2.86Å; V105-L109 HydrophobicContact CG1-CD1 4.02Å; V105-L109 HydrophobicContact CG1-CG 4.39Å; V105-L109 WeakPolarHBondContact O-CG 3.44Å; V105-L109 PolarHBondContact O-N 2.86Å; V105-F141 HydrophobicContact CG2-CD2 4.5Å; V105-F141 HydrophobicContact CG2-CE2 3.86Å
106S98.8Very high98.7Very high35 Ų3545.8 Ų45.825%0.24525%0.248CC..Hα-helixtrans-67.7-41.7-177.5-60.60000112.4T71 Q102 E103 L104 Y108 L109 R110T71-S106 WeakPolarHBondContact CG2-OG 3.41Å; Q102-S106 WeakPolarHBondContact O-CB 3.13Å; Q102-S106 PolarHBondContact O-N 3.33Å; Q102-S106 PolarHBondContact O-OG 3.28Å; E103-S106 PolarHBondContact O-N 3.06Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.16Å; S106-Y108 VanDerWaalsContact C-N 3.33Å; S106-Y108 PolarHBondContact O-N 3.07Å; S106-L109 PolarHBondContact O-N 2.98Å; S106-R110 WeakPolarHBondContact O-CB 3.2Å; S106-R110 PolarHBondContact O-N 3.26Å
107Q98.9Very high98.6Very high0 Ų049.2 Ų49.20%026%0.258CS..Hα-helixtrans-64-39174-72.7-169.728.100111.5V38 M60 F62 V63 L70 E103 R110 F111V38-Q107 HydrophobicContact CG2-CB 3.61Å; V38-Q107 HydrophobicContact CG2-CG 3.66Å; M60-Q107 HydrophobicContact CE-CB 4.26Å; M60-Q107 HydrophobicContact SD-CB 4.01Å; F62-Q107 VanDerWaalsContact CD2-OE1 3.3Å; V63-Q107 PolarHBondContact O-NE2 3.46Å; L70-Q107 HydrophobicContact CD1-CB 4.44Å; L70-Q107 HydrophobicContact CD1-CG 3.9Å; L70-Q107 HydrophobicContact CG-CG 4.24Å; E103-Q107 HydrophobicContact CG-CG 4.29Å; E103-Q107 WeakPolarHBondContact O-CB 3.44Å; E103-Q107 WeakPolarHBondContact O-CG 3.19Å; E103-Q107 PolarHBondContact O-N 3.37Å; E103-Q107 WeakPolarHBondContact OE1-CG 3.38Å; E103-Q107 PolarHBondContact OE1-NE2 3.45Å; Q107-R110 PolarHBondContact O-N 3.35Å; Q107-F111 PolarHBondContact O-N 3.26Å
108Y98.9Very high98.6Very high11 Ų1151 Ų514%0.04326%0.263CS..Hα-helixtrans-63.5-45.5174.7171.1-105.5000112.9M60 L104 V105 S106 R110 F111 I112 K118 P119 F141 Q145 I147M60-Y108 WeakPolarHBondContact SD-CA 3.31Å; M60-Y108 PolarHBondContact SD-N 3.44Å; M60-Y108 VanDerWaalsContact SD-N 3.42Å; L104-Y108 VanDerWaalsContact O-CB 3.32Å; L104-Y108 WeakPolarHBondContact O-CB 3.28Å; L104-Y108 PolarHBondContact O-N 3.17Å; V105-Y108 WeakPolarHBondContact O-CB 3.18Å; V105-Y108 PolarHBondContact O-N 2.86Å; S106-Y108 VanDerWaalsContact C-N 3.33Å; S106-Y108 PolarHBondContact O-N 3.07Å; Y108-R110 VanDerWaalsContact C-N 3.33Å; Y108-R110 PolarHBondContact O-N 3.01Å; Y108-F111 WeakPolarHBondContact O-CB 3.38Å; Y108-F111 PolarHBondContact O-N 2.85Å; Y108-I112 HydrophobicContact CD1-CD1 4.11Å; Y108-I112 HydrophobicContact CE1-CD1 3.53Å; Y108-I112 HydrophobicContact CE2-CD1 3.94Å; Y108-I112 HydrophobicContact CE2-CG1 4.44Å; Y108-I112 VanDerWaalsContact CZ-CD1 3.45Å; Y108-I112 PolarHBondContact O-N 3.36Å; Y108-I112 VanDerWaalsContact O-N 3.09Å; Y108-K118 VanDerWaalsContact OH-CD 3.3Å; Y108-K118 WeakPolarHBondContact OH-CD 3.44Å; Y108-K118 WeakPolarHBondContact OH-CE 2.99Å; Y108-K118 PolarHBondContact OH-NZ 2.85Å; Y108-P119 HydrophobicContact CD2-CG 4.1Å; Y108-P119 HydrophobicContact CE2-CG 4.15Å; Y108-F141 HydrophobicContact CD1-CE1 4.22Å; Y108-F141 AromaticContact CD1-CZ 3.64Å; Y108-F141 HydrophobicContact CD1-CZ 3.64Å; Y108-F141 HydrophobicContact CD2-CE1 4.05Å; Y108-F141 HydrophobicContact CD2-CZ 4.3Å; Y108-F141 HydrophobicContact CE1-CZ 4.2Å; Y108-F141 AromaticContact CG-CE1 3.8Å; Y108-F141 HydrophobicContact CG-CE1 3.8Å; Y108-F141 AromaticContact CG-CZ 3.65Å; Y108-F141 HydrophobicContact CG-CZ 3.65Å; Y108-Q145 HydrophobicContact CE1-CG 4.24Å; Y108-Q145 HydrophobicContact CE2-CG 4.42Å; Y108-Q145 PolarHBondContact OH-OE1 3.04Å; Y108-I147 HydrophobicContact CD2-CD1 4.23Å; Y108-I147 HydrophobicContact CE2-CD1 3.4Å; Y108-I147 VanDerWaalsContact CE2-CD1 3.4Å
109L98.8Very high98.6Very high100 Ų10045.2 Ų45.252%0.52424%0.236SC..Hα-helixtrans-64-40.9176.2-69.1174.8000111.2V105 S106 F111 I112 E113V105-L109 HydrophobicContact CG1-CD1 4.02Å; V105-L109 HydrophobicContact CG1-CG 4.39Å; V105-L109 WeakPolarHBondContact O-CG 3.44Å; V105-L109 PolarHBondContact O-N 2.86Å; S106-L109 PolarHBondContact O-N 2.98Å; L109-F111 VanDerWaalsContact C-N 3.32Å; L109-F111 PolarHBondContact O-N 2.92Å; L109-I112 PolarHBondContact O-N 2.89Å; L109-E113 PolarHBondContact O-N 3.43Å
110R98.8Very high98.6Very high68 Ų6844.5 Ų44.526%0.25723%0.234SC..Hα-helixtrans-62.3-39.1174.4-17858178.7164.53.5111.9V38 L70 S106 Q107 Y108 I112 E113 L114V38-R110 HydrophobicContact CB-CB 4.5Å; V38-R110 HydrophobicContact CB-CG 4.09Å; V38-R110 HydrophobicContact CG2-CG 4.49Å; L70-R110 HydrophobicContact CD1-CB 3.5Å; L70-R110 VanDerWaalsContact CD1-CB 3.5Å; L70-R110 HydrophobicContact CD1-CG 3.79Å; S106-R110 WeakPolarHBondContact O-CB 3.2Å; S106-R110 PolarHBondContact O-N 3.26Å; Q107-R110 PolarHBondContact O-N 3.35Å; Y108-R110 VanDerWaalsContact C-N 3.33Å; Y108-R110 PolarHBondContact O-N 3.01Å; R110-I112 PolarHBondContact O-N 3.38Å; R110-E113 WeakPolarHBondContact CD-OE2 3.48Å; R110-E113 IonicContact CZ-OE2 3.07Å; R110-E113 IonicContact NH1-OE1 3.13Å; R110-E113 PolarHBondContact NH1-OE1 2.91Å; R110-E113 IonicContact NH1-OE2 3.7Å; R110-E113 PolarHBondContact NH1-OE2 2.95Å; R110-E113 PolarHBondContact O-N 2.68Å; R110-L114 HydrophobicContact CG-CD1 3.86Å; R110-L114 HydrophobicContact CG-CG 4.4Å; R110-L114 WeakPolarHBondContact O-CB 3.43Å; R110-L114 WeakPolarHBondContact O-CD1 3.49Å; R110-L114 VanDerWaalsContact O-CG 3.24Å; R110-L114 WeakPolarHBondContact O-CG 3.41Å; R110-L114 PolarHBondContact O-N 3.24Å
111F98.9Very high98.6Very high0 Ų044.5 Ų44.50%023%0.234CC..Hα-helixtrans-57.5-49.4173-173.9-79.1000111A36 V38 I58 G59 M60 Q107 Y108 L109 E113 L114 F115 R117 P119A36-F111 HydrophobicContact CB-CE2 4.07Å; V38-F111 HydrophobicContact CG1-CB 3.84Å; V38-F111 HydrophobicContact CG1-CD2 3.9Å; V38-F111 HydrophobicContact CG1-CG 4.37Å; I58-F111 HydrophobicContact CB-CZ 4.4Å; I58-F111 HydrophobicContact CG2-CE2 3.84Å; I58-F111 HydrophobicContact CG2-CZ 3.75Å; G59-F111 WeakPolarHBondContact O-CE2 3.17Å; M60-F111 HydrophobicContact CB-CD2 3.7Å; M60-F111 HydrophobicContact CB-CE2 4.21Å; M60-F111 HydrophobicContact CB-CG 4.25Å; M60-F111 HydrophobicContact CG-CB 4.42Å; M60-F111 HydrophobicContact CG-CD2 4.08Å; M60-F111 HydrophobicContact SD-CB 4.21Å; Q107-F111 PolarHBondContact O-N 3.26Å; Y108-F111 WeakPolarHBondContact O-CB 3.38Å; Y108-F111 PolarHBondContact O-N 2.85Å; L109-F111 VanDerWaalsContact C-N 3.32Å; L109-F111 PolarHBondContact O-N 2.92Å; F111-E113 VanDerWaalsContact C-N 3.32Å; F111-E113 PolarHBondContact O-N 3.23Å; F111-L114 PolarHBondContact O-N 3.17Å; F111-F115 HydrophobicContact CD1-CB 4.41Å; F111-F115 AromaticContact CD1-CD2 3.98Å; F111-F115 HydrophobicContact CD1-CD2 3.98Å; F111-F115 AromaticContact CD2-CD2 3.71Å; F111-F115 HydrophobicContact CD2-CD2 3.71Å; F111-F115 AromaticContact CD2-CE2 3.82Å; F111-F115 HydrophobicContact CD2-CE2 3.82Å; F111-F115 HydrophobicContact CE1-CB 3.93Å; F111-F115 AromaticContact CE1-CD2 3.75Å; F111-F115 HydrophobicContact CE1-CD2 3.75Å; F111-F115 HydrophobicContact CE1-CG 4.05Å; F111-F115 AromaticContact CE2-CD2 3.49Å; F111-F115 HydrophobicContact CE2-CD2 3.49Å; F111-F115 VanDerWaalsContact CE2-CD2 3.49Å; F111-F115 AromaticContact CE2-CE2 3.53Å; F111-F115 HydrophobicContact CE2-CE2 3.53Å; F111-F115 HydrophobicContact CE2-CG 4.33Å; F111-F115 HydrophobicContact CE2-CZ 4.4Å; F111-F115 AromaticContact CG-CD2 3.95Å; F111-F115 HydrophobicContact CG-CD2 3.95Å; F111-F115 HydrophobicContact CG-CE2 4.47Å; F111-F115 HydrophobicContact CZ-CB 4.29Å; F111-F115 AromaticContact CZ-CD2 3.51Å; F111-F115 HydrophobicContact CZ-CD2 3.51Å; F111-F115 AromaticContact CZ-CE2 3.98Å; F111-F115 HydrophobicContact CZ-CE2 3.98Å; F111-F115 AromaticContact CZ-CG 3.93Å; F111-F115 HydrophobicContact CZ-CG 3.93Å; F111-F115 WeakPolarHBondContact O-CD2 3.34Å; F111-F115 PolarHBondContact O-N 2.88Å; F111-R117 WeakPolarHBondContact CD1-O 3.08Å; F111-R117 WeakPolarHBondContact CE1-O 3.14Å; F111-P119 HydrophobicContact CD1-CB 3.84Å; F111-P119 VanDerWaalsContact CD1-CD 3.5Å; F111-P119 HydrophobicContact CD1-CG 3.97Å; F111-P119 HydrophobicContact CD2-CB 4.26Å; F111-P119 HydrophobicContact CE1-CB 3.56Å; F111-P119 HydrophobicContact CE1-CG 4.16Å; F111-P119 VanDerWaalsContact CE1-N 3.28Å; F111-P119 HydrophobicContact CE2-CB 3.98Å; F111-P119 HydrophobicContact CG-CB 4.2Å; F111-P119 HydrophobicContact CG-CG 4.27Å; F111-P119 HydrophobicContact CZ-CB 3.62Å
112I98.8Very high98.6Very high54 Ų5442.3 Ų42.328%0.27722%0.221SC..Hα-helixtrans-61.4-42.7-180-68.7169.6000110.9Y108 L109 R110 L114 G116 K118Y108-I112 HydrophobicContact CD1-CD1 4.11Å; Y108-I112 HydrophobicContact CE1-CD1 3.53Å; Y108-I112 HydrophobicContact CE2-CD1 3.94Å; Y108-I112 HydrophobicContact CE2-CG1 4.44Å; Y108-I112 VanDerWaalsContact CZ-CD1 3.45Å; Y108-I112 PolarHBondContact O-N 3.36Å; Y108-I112 VanDerWaalsContact O-N 3.09Å; L109-I112 PolarHBondContact O-N 2.89Å; R110-I112 PolarHBondContact O-N 3.38Å; I112-L114 PolarHBondContact O-N 2.77Å; I112-G116 WeakPolarHBondContact O-CA 3.36Å; I112-G116 PolarHBondContact O-N 3.3Å; I112-K118 HydrophobicContact CD1-CG 4.34Å
113E98.7Very high98.6Very high136 Ų13638 Ų3864%0.63620%0.2SC*.Hα-helixtrans-59-46.7176.8-170.8-161.5162.100111.7L109 R110 F111L109-E113 PolarHBondContact O-N 3.43Å; R110-E113 WeakPolarHBondContact CD-OE2 3.48Å; R110-E113 IonicContact CZ-OE2 3.07Å; R110-E113 IonicContact NH1-OE1 3.13Å; R110-E113 PolarHBondContact NH1-OE1 2.91Å; R110-E113 IonicContact NH1-OE2 3.7Å; R110-E113 PolarHBondContact NH1-OE2 2.95Å; R110-E113 PolarHBondContact O-N 2.68Å; F111-E113 VanDerWaalsContact C-N 3.32Å; F111-E113 PolarHBondContact O-N 3.23Å
114L98.6Very high98.6Very high18 Ų1838 Ų389%0.09420%0.2CC..Hα-helixtrans-68.2-46.6-177.4-76.5167.4000113V38 I43 V47 R110 F111 I112V38-L114 HydrophobicContact CB-CD1 4.22Å; V38-L114 HydrophobicContact CG1-CD1 4.29Å; I43-L114 HydrophobicContact CD1-CD1 4.33Å; I43-L114 HydrophobicContact CG1-CD1 3.51Å; I43-L114 HydrophobicContact CG1-CD2 4.45Å; V47-L114 VanDerWaalsContact CG1-O 3.26Å; V47-L114 WeakPolarHBondContact CG1-O 3.45Å; V47-L114 HydrophobicContact CG2-CB 3.82Å; V47-L114 HydrophobicContact CG2-CD2 4.09Å; V47-L114 HydrophobicContact CG2-CG 4.48Å; R110-L114 HydrophobicContact CG-CD1 3.86Å; R110-L114 HydrophobicContact CG-CG 4.4Å; R110-L114 WeakPolarHBondContact O-CB 3.43Å; R110-L114 WeakPolarHBondContact O-CD1 3.49Å; R110-L114 VanDerWaalsContact O-CG 3.24Å; R110-L114 WeakPolarHBondContact O-CG 3.41Å; R110-L114 PolarHBondContact O-N 3.24Å; F111-L114 PolarHBondContact O-N 3.17Å; I112-L114 PolarHBondContact O-N 2.77Å
115F98.3Very high98.6Very high24 Ų2438.8 Ų38.811%0.10520%0.204CC..Hα-helixtrans-100.4-9.8-171.7-68.4-80.8000114.1A36 I43 V47 I58 F111 R117A36-F115 HydrophobicContact CB-CE2 3.83Å; A36-F115 HydrophobicContact CB-CZ 3.8Å; I43-F115 HydrophobicContact CD1-CE2 4.16Å; I43-F115 HydrophobicContact CD1-CZ 4.14Å; V47-F115 HydrophobicContact CB-CE1 4.45Å; V47-F115 HydrophobicContact CG2-CD1 4.15Å; V47-F115 HydrophobicContact CG2-CD2 4.48Å; V47-F115 HydrophobicContact CG2-CE1 3.82Å; V47-F115 HydrophobicContact CG2-CE2 4.17Å; V47-F115 HydrophobicContact CG2-CG 4.48Å; V47-F115 HydrophobicContact CG2-CZ 3.83Å; I58-F115 HydrophobicContact CD1-CD1 4.28Å; I58-F115 HydrophobicContact CD1-CE1 3.95Å; I58-F115 HydrophobicContact CG2-CE1 4.1Å; I58-F115 HydrophobicContact CG2-CE2 4.47Å; I58-F115 HydrophobicContact CG2-CZ 4.05Å; F111-F115 HydrophobicContact CD1-CB 4.41Å; F111-F115 AromaticContact CD1-CD2 3.98Å; F111-F115 HydrophobicContact CD1-CD2 3.98Å; F111-F115 AromaticContact CD2-CD2 3.71Å; F111-F115 HydrophobicContact CD2-CD2 3.71Å; F111-F115 AromaticContact CD2-CE2 3.82Å; F111-F115 HydrophobicContact CD2-CE2 3.82Å; F111-F115 HydrophobicContact CE1-CB 3.93Å; F111-F115 AromaticContact CE1-CD2 3.75Å; F111-F115 HydrophobicContact CE1-CD2 3.75Å; F111-F115 HydrophobicContact CE1-CG 4.05Å; F111-F115 AromaticContact CE2-CD2 3.49Å; F111-F115 HydrophobicContact CE2-CD2 3.49Å; F111-F115 VanDerWaalsContact CE2-CD2 3.49Å; F111-F115 AromaticContact CE2-CE2 3.53Å; F111-F115 HydrophobicContact CE2-CE2 3.53Å; F111-F115 HydrophobicContact CE2-CG 4.33Å; F111-F115 HydrophobicContact CE2-CZ 4.4Å; F111-F115 AromaticContact CG-CD2 3.95Å; F111-F115 HydrophobicContact CG-CD2 3.95Å; F111-F115 HydrophobicContact CG-CE2 4.47Å; F111-F115 HydrophobicContact CZ-CB 4.29Å; F111-F115 AromaticContact CZ-CD2 3.51Å; F111-F115 HydrophobicContact CZ-CD2 3.51Å; F111-F115 AromaticContact CZ-CE2 3.98Å; F111-F115 HydrophobicContact CZ-CE2 3.98Å; F111-F115 AromaticContact CZ-CG 3.93Å; F111-F115 HydrophobicContact CZ-CG 3.93Å; F111-F115 WeakPolarHBondContact O-CD2 3.34Å; F111-F115 PolarHBondContact O-N 2.88Å; F115-R117 HydrophobicContact CB-CG 4.25Å; F115-R117 PolarHBondContact O-N 2.86Å
116G98.1Very high98.5Very high69 Ų6939.4 Ų39.471%0.71120%0.203SC*.SBendtrans68.513.7-177.400000114.5I112I112-G116 WeakPolarHBondContact O-CA 3.36Å; I112-G116 PolarHBondContact O-N 3.3Å
117R97.6Very high98.4Very high95 Ų9540 Ų4036%0.35820%0.202SC..SBendtrans-154.7161-177.163.2-172.5178.4-147.4-0.1111.2F111 F115F111-R117 WeakPolarHBondContact CD1-O 3.08Å; F111-R117 WeakPolarHBondContact CE1-O 3.14Å; F115-R117 HydrophobicContact CB-CG 4.25Å; F115-R117 PolarHBondContact O-N 2.86Å
118K98.4Very high98.4Very high104 Ų10440 Ų4045%0.45220%0.202SC..  trans-63.6147.3169.8-64.5-167.5179-157.80110.8Y108 I112 Q145 I147Y108-K118 VanDerWaalsContact OH-CD 3.3Å; Y108-K118 WeakPolarHBondContact OH-CD 3.44Å; Y108-K118 WeakPolarHBondContact OH-CE 2.99Å; Y108-K118 PolarHBondContact OH-NZ 2.85Å; I112-K118 HydrophobicContact CD1-CG 4.34Å; K118-Q145 PolarHBondContact NZ-O 2.89Å; K118-I147 HydrophobicContact CB-CD1 4.38Å; K118-I147 HydrophobicContact CD-CD1 4.38Å
119P98.8Very high98.3Very high4 Ų439.5 Ų39.53%0.02620%0.2CC..  trans-64149.3170.325.5-27.4000110.1M60 Y108 F111 H121 L122 I147M60-P119 HydrophobicContact CB-CB 3.96Å; M60-P119 HydrophobicContact CB-CG 4.04Å; Y108-P119 HydrophobicContact CD2-CG 4.1Å; Y108-P119 HydrophobicContact CE2-CG 4.15Å; F111-P119 HydrophobicContact CD1-CB 3.84Å; F111-P119 VanDerWaalsContact CD1-CD 3.5Å; F111-P119 HydrophobicContact CD1-CG 3.97Å; F111-P119 HydrophobicContact CD2-CB 4.26Å; F111-P119 HydrophobicContact CE1-CB 3.56Å; F111-P119 HydrophobicContact CE1-CG 4.16Å; F111-P119 VanDerWaalsContact CE1-N 3.28Å; F111-P119 HydrophobicContact CE2-CB 3.98Å; F111-P119 HydrophobicContact CG-CB 4.2Å; F111-P119 HydrophobicContact CG-CG 4.27Å; F111-P119 HydrophobicContact CZ-CB 3.62Å; P119-H121 VanDerWaalsContact C-N 3.28Å; P119-L122 HydrophobicContact CG-CD2 4.09Å; P119-I147 HydrophobicContact CG-CD1 3.99Å; P119-I147 HydrophobicContact CG-CG2 4.49Å
120T98.6Very high98.2Very high21 Ų2135.4 Ų35.413%0.12918%0.178CC..SBendtrans-70-30.4177.755.50000112.3A57 I58 A148 R247A57-T120 HydrophobicContact CB-CG2 4.11Å; I58-T120 PolarHBondContact O-N 2.98Å; I58-T120 PolarHBondContact O-OG1 3.43Å; T120-A148 PolarHBondContact O-N 3.22Å; T120-R247 HydrophobicContact CG2-CG 3.75Å
121H98.8Very high98Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-156.3169178.665.2-62.7000110.8N8 S33 T35 G59 M60 P119 A148 Y246N8-H121 PolarHBondContact OD1-CE1 3.25Å; N8-H121 VanDerWaalsContact OD1-CE1 3.24Å; N8-H121 PolarHBondContact OD1-NE2 3.31Å; N8-H121 VanDerWaalsContact OD1-NE2 3.08Å; S33-H121 PolarHBondContact OG-CE1 2.68Å; T35-H121 WeakPolarHBondContact CG2-CE1 3.14Å; T35-H121 WeakPolarHBondContact CG2-NE2 3.32Å; G59-H121 CarbonylContact C-O 3.55Å; G59-H121 WeakPolarHBondContact CA-ND1 3.4Å; G59-H121 WeakPolarHBondContact CA-O 3.42Å; M60-H121 PolarHBondContact N-O 3.45Å; P119-H121 VanDerWaalsContact C-N 3.28Å; H121-A148 CarbonylContact C-O 3.58Å; H121-A148 WeakPolarHBondContact CA-O 3.4Å; H121-A148 HydrophobicContact CB-CB 3.91Å; H121-A148 WeakPolarHBondContact CB-O 3.38Å; H121-Y246 HydrophobicContact CB-CD1 3.65Å; H121-Y246 HydrophobicContact CB-CD2 3.74Å; H121-Y246 HydrophobicContact CB-CE1 4.11Å; H121-Y246 HydrophobicContact CB-CE2 4.23Å; H121-Y246 HydrophobicContact CB-CG 3.39Å; H121-Y246 AromaticContact CD2-CD2 3.18Å; H121-Y246 WeakPolarHBondContact CD2-CD2 3.45Å; H121-Y246 AromaticContact CD2-CE2 3.17Å; H121-Y246 WeakPolarHBondContact CD2-CE2 3.17Å; H121-Y246 AromaticContact CD2-CG 3.84Å; H121-Y246 AromaticContact CD2-CZ 3.82Å; H121-Y246 AromaticContact CE1-CD2 3.57Å; H121-Y246 AromaticContact CG-CD2 3.19Å; H121-Y246 AromaticContact CG-CE2 3.68Å; H121-Y246 AromaticContact CG-CG 3.4Å; H121-Y246 VanDerWaalsContact CG-CG 3.4Å; H121-Y246 AromaticContact ND1-CD2 3.45Å; H121-Y246 WeakPolarHBondContact ND1-CD2 3.18Å; H121-Y246 AromaticContact ND1-CG 3.77Å; H121-Y246 AromaticContact NE2-CD2 3.4Å; H121-Y246 WeakPolarHBondContact NE2-CD2 3.46Å; H121-Y246 AromaticContact NE2-CE2 3.51Å
122L98.6Very high97.9Very high1 Ų138 Ų381%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-112.6145.4168.9-62.4-173.8000110M60 L104 P119 V138 F141 A142 I147 A148 L149 R150M60-L122 HydrophobicContact CB-CD2 3.67Å; M60-L122 HydrophobicContact CE-CD2 3.59Å; M60-L122 HydrophobicContact CG-CD2 4.4Å; M60-L122 HydrophobicContact SD-CD2 4.26Å; L104-L122 HydrophobicContact CD1-CD1 4.5Å; P119-L122 HydrophobicContact CG-CD2 4.09Å; L122-V138 HydrophobicContact CD1-CG1 4.2Å; L122-F141 HydrophobicContact CD1-CD1 3.93Å; L122-F141 HydrophobicContact CD1-CE1 4.38Å; L122-A142 HydrophobicContact CD1-CB 4.1Å; L122-I147 HydrophobicContact CG-CG2 4.08Å; L122-A148 PolarHBondContact N-O 3.26Å; L122-L149 HydrophobicContact CB-CD1 3.95Å; L122-L149 WeakPolarHBondContact O-CA 3.36Å; L122-L149 WeakPolarHBondContact O-CD1 3.44Å; L122-R150 PolarHBondContact O-N 2.82Å
123D98.7Very high97.7Very high0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-145.8-161.8158.173.2-18.3000107.8T35 M60 H61 F62 R150T35-D123 WeakPolarHBondContact CB-OD1 3.49Å; T35-D123 WeakPolarHBondContact CG2-OD1 3.41Å; T35-D123 PolarHBondContact OG1-OD1 3.47Å; T35-D123 PolarHBondContact OG1-OD2 3.33Å; M60-D123 PolarHBondContact O-N 2.99Å; H61-D123 VanDerWaalsContact CA-OD1 3.3Å; H61-D123 WeakPolarHBondContact CA-OD1 3.48Å; H61-D123 IonicContact CE1-OD1 3.55Å; H61-D123 IonicContact CE1-OD2 3.59Å; H61-D123 PolarHBondContact CE1-OD2 3.3Å; H61-D123 VanDerWaalsContact CE1-OD2 3.26Å; H61-D123 IonicContact CG-OD1 3.88Å; H61-D123 IonicContact ND1-OD1 2.85Å; H61-D123 PolarHBondContact ND1-OD1 3.2Å; H61-D123 IonicContact ND1-OD2 2.82Å; H61-D123 PolarHBondContact ND1-OD2 3.31Å; F62-D123 VanDerWaalsContact CB-O 3.25Å; F62-D123 WeakPolarHBondContact CB-O 3.5Å; F62-D123 PolarHBondContact N-O 2.83Å; D123-R150 HydrophobicContact CB-CB 3.61Å; D123-R150 HydrophobicContact CB-CG 4.32Å; D123-R150 IonicContact OD2-CZ 2.76Å; D123-R150 IonicContact OD2-NE 3.48Å; D123-R150 IonicContact OD2-NH1 3.3Å; D123-R150 PolarHBondContact OD2-NH1 2.61Å; D123-R150 IonicContact OD2-NH2 3.17Å
124S98.7Very high97.6Very high0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans-149.4151.6173.662.40000113.3H61 F62 H126 H127 V128 H129H61-S124 PolarHBondContact CE1-O 3.17Å; H61-S124 VanDerWaalsContact CE1-O 3.3Å; F62-S124 CarbonylContact O-C 3.52Å; F62-S124 WeakPolarHBondContact O-CA 3.35Å; F62-S124 WeakPolarHBondContact O-CB 3.24Å; S124-H126 PolarHBondContact O-N 2.93Å; S124-H127 PolarHBondContact O-N 3.19Å; S124-H127 VanDerWaalsContact OG-C 3.28Å; S124-H127 WeakPolarHBondContact OG-CA 3.41Å; S124-V128 PolarHBondContact OG-N 3.32Å; S124-H129 WeakPolarHBondContact OG-CB 3.33Å; S124-H129 VanDerWaalsContact OG-CG 3.31Å; S124-H129 PolarHBondContact OG-N 2.85Å; S124-H129 PolarHBondContact OG-ND1 2.99Å
125H98.3Very high97.6Very high18 Ų1830.2 Ų30.28%0.08316%0.163CC..G310 helixtrans-62.6130.9172.6-170.363.5000110.2D11 L37 H61 F62 V63 T65 H127D11-H125 IonicContact OD1-CE1 3.61Å; D11-H125 PolarHBondContact OD1-CE1 2.77Å; D11-H125 VanDerWaalsContact OD1-CE1 3.3Å; D11-H125 IonicContact OD1-ND1 3.66Å; D11-H125 PolarHBondContact OD1-ND1 3.35Å; L37-H125 HydrophobicContact CD2-CB 3.99Å; H61-H125 AromaticContact CD2-ND1 4Å; H61-H125 PolarHBondContact CE1-N 3.02Å; H61-H125 VanDerWaalsContact NE2-CA 3.32Å; H61-H125 WeakPolarHBondContact NE2-CA 3.5Å; H61-H125 AromaticContact NE2-ND1 3.63Å; F62-H125 PolarHBondContact O-N 2.85Å; V63-H125 HydrophobicContact CG2-CB 4.18Å; T65-H125 PolarHBondContact OG1-CD2 3.28Å; H125-H127 PolarHBondContact O-N 3.25Å
126H96.9Very high97.5Very high69 Ų6932 Ų3232%0.31918%0.177SC..G310 helixtrans58.223.1-171.6-55.9132.6000115.2T65 W87 S124 V128T65-H126 WeakPolarHBondContact CB-ND1 3.31Å; T65-H126 PolarHBondContact OG1-ND1 3.16Å; W87-H126 HydrophobicContact CH2-CB 3.51Å; W87-H126 AromaticContact CH2-CG 3.62Å; W87-H126 AromaticContact CH2-ND1 3.64Å; W87-H126 HydrophobicContact CZ2-CB 3.67Å; S124-H126 PolarHBondContact O-N 2.93Å; H126-V128 HydrophobicContact CB-CG1 4.43Å; H126-V128 PolarHBondContact O-N 3.48Å
127H97Very high97.4Very high48 Ų4830 Ų3022%0.22215%0.15CC..G310 helixtrans55.623178.5-56.2-52.3000115.6S124 H125 H129 M130 F169 M201S124-H127 PolarHBondContact O-N 3.19Å; S124-H127 VanDerWaalsContact OG-C 3.28Å; S124-H127 WeakPolarHBondContact OG-CA 3.41Å; H125-H127 PolarHBondContact O-N 3.25Å; H127-H129 PolarHBondContact O-N 3.35Å; H127-M130 HydrophobicContact CB-CG 4.45Å; H127-M130 HydrophobicContact CB-SD 4.25Å; H127-M130 WeakPolarHBondContact O-CB 3.31Å; H127-M130 PolarHBondContact O-N 3.38Å; H127-F169 AromaticContact CE1-CZ 3.66Å; H127-M201 PolarHBondContact CE1-SD 3.29Å; H127-M201 PolarHBondContact NE2-SD 3.49Å
128V97.5Very high97.4Very high0 Ų025.5 Ų25.50%013%0.133CC..G310 helixtrans-57.3-26.4-179.2-64.60000114.2L64 T65 I86 S124 H126 M130 F131L64-V128 HydrophobicContact CB-CG2 4.09Å; L64-V128 HydrophobicContact CD1-CG2 4.03Å; L64-V128 HydrophobicContact CG-CG2 4.26Å; T65-V128 HydrophobicContact CG2-CG1 3.7Å; I86-V128 HydrophobicContact CD1-CB 4.45Å; I86-V128 HydrophobicContact CD1-CG1 4.35Å; I86-V128 HydrophobicContact CG2-CG1 4.15Å; S124-V128 PolarHBondContact OG-N 3.32Å; H126-V128 HydrophobicContact CB-CG1 4.43Å; H126-V128 PolarHBondContact O-N 3.48Å; V128-M130 PolarHBondContact O-N 3.46Å; V128-F131 HydrophobicContact CB-CD2 4.36Å; V128-F131 HydrophobicContact CB-CE2 4.12Å; V128-F131 HydrophobicContact CG1-CE2 3.98Å; V128-F131 HydrophobicContact CG1-CZ 4.12Å; V128-F131 WeakPolarHBondContact O-CB 3.12Å; V128-F131 WeakPolarHBondContact O-CG 3.45Å; V128-F131 PolarHBondContact O-N 3.25Å
129H97.4Very high97.4Very high0 Ų020.6 Ų20.60%011%0.112CC..G310 helixtrans-61.1-19.7171.474.9-56.7000114S124 H127 F131 F135 V138 R150S124-H129 WeakPolarHBondContact OG-CB 3.33Å; S124-H129 VanDerWaalsContact OG-CG 3.31Å; S124-H129 PolarHBondContact OG-N 2.85Å; S124-H129 PolarHBondContact OG-ND1 2.99Å; H127-H129 PolarHBondContact O-N 3.35Å; H129-F131 VanDerWaalsContact C-N 3.31Å; H129-F135 WeakPolarHBondContact O-CA 3.45Å; H129-F135 VanDerWaalsContact O-CB 3.23Å; H129-F135 WeakPolarHBondContact O-CB 3.45Å; H129-F135 WeakPolarHBondContact O-CD2 3.26Å; H129-F135 PolarHBondContact O-N 3.13Å; H129-V138 HydrophobicContact CB-CB 4.37Å; H129-V138 HydrophobicContact CB-CG1 4.28Å; H129-V138 HydrophobicContact CB-CG2 4.09Å; H129-R150 PolarHBondContact NE2-O 3.49Å
130M96.2Very high97.3Very high14 Ų1427.5 Ų27.57%0.06914%0.137CC..G310 helixtrans-87.52.5176.4-60.3-175.1-176.600112.6H127 V128 R150 D152 M155 F157 F169H127-M130 HydrophobicContact CB-CG 4.45Å; H127-M130 HydrophobicContact CB-SD 4.25Å; H127-M130 WeakPolarHBondContact O-CB 3.31Å; H127-M130 PolarHBondContact O-N 3.38Å; V128-M130 PolarHBondContact O-N 3.46Å; M130-R150 HydrophobicContact CE-CG 3.82Å; M130-D152 HydrophobicContact CE-CB 4.31Å; M130-D152 HydrophobicContact SD-CB 4.24Å; M130-M155 HydrophobicContact CB-CE 4.13Å; M130-M155 HydrophobicContact CB-SD 3.99Å; M130-M155 HydrophobicContact CG-SD 4.36Å; M130-M155 WeakPolarHBondContact O-CE 3.34Å; M130-M155 HydrophobicContact SD-SD 3.89Å; M130-F157 HydrophobicContact CB-CZ 4.14Å; M130-F157 VanDerWaalsContact O-CZ 3.29Å; M130-F157 WeakPolarHBondContact O-CZ 3.47Å; M130-F169 HydrophobicContact CE-CD1 4.23Å; M130-F169 HydrophobicContact CE-CE1 4.07Å
131F96Very high97.3Very high30 Ų3027.6 Ų27.613%0.13214%0.136CC..SBendtrans-64135.2166.9-65.9-17.3000109.8I86 W87 A90 L95 V128 H129 Q133 I134 F135I86-F131 HydrophobicContact CD1-CE2 4.28Å; I86-F131 HydrophobicContact CG1-CE2 4.06Å; I86-F131 HydrophobicContact CG2-CE2 4.13Å; W87-F131 AromaticContact CD1-CE1 3.96Å; W87-F131 AromaticContact CD1-CZ 3.58Å; W87-F131 HydrophobicContact CD2-CZ 4.19Å; W87-F131 AromaticContact CG-CZ 3.94Å; W87-F131 HydrophobicContact CG-CZ 3.94Å; W87-F131 AromaticContact NE1-CE1 3.96Å; W87-F131 AromaticContact NE1-CZ 3.67Å; A90-F131 HydrophobicContact CB-CD2 3.76Å; A90-F131 HydrophobicContact CB-CE2 3.94Å; A90-F131 HydrophobicContact CB-CG 4.21Å; L95-F131 HydrophobicContact CD1-CD2 4.37Å; V128-F131 HydrophobicContact CB-CD2 4.36Å; V128-F131 HydrophobicContact CB-CE2 4.12Å; V128-F131 HydrophobicContact CG1-CE2 3.98Å; V128-F131 HydrophobicContact CG1-CZ 4.12Å; V128-F131 WeakPolarHBondContact O-CB 3.12Å; V128-F131 WeakPolarHBondContact O-CG 3.45Å; V128-F131 PolarHBondContact O-N 3.25Å; H129-F131 VanDerWaalsContact C-N 3.31Å; F131-Q133 PolarHBondContact O-N 2.97Å; F131-I134 HydrophobicContact CB-CB 4.28Å; F131-I134 HydrophobicContact CB-CD1 4.28Å; F131-I134 HydrophobicContact CB-CG1 4.16Å; F131-I134 HydrophobicContact CD2-CD1 3.83Å; F131-I134 PolarHBondContact O-N 2.85Å; F131-F135 PolarHBondContact O-N 2.93Å
132P95Very high97.3Very high94 Ų9427.6 Ų27.661%0.6114%0.136SC*.THydrogen-bonded Turntrans-53.4-33.4-176.5-28.735.5000114.1P136P132-P136 WeakPolarHBondContact O-CD 3.08Å
133Q96Very high97.2Very high42 Ų4228 Ų2820%0.19614%0.139CC..THydrogen-bonded Turntrans-76.9-28.5178.5-54.193.3-28.100113.4A90 D93 L95 L97 F131A90-Q133 PolarHBondContact O-NE2 3.08Å; D93-Q133 WeakPolarHBondContact OD1-CG 3.38Å; D93-Q133 PolarHBondContact OD1-NE2 3.24Å; L95-Q133 HydrophobicContact CD1-CB 4.02Å; L95-Q133 HydrophobicContact CD1-CG 4.43Å; L97-Q133 HydrophobicContact CD2-CB 3.97Å; F131-Q133 PolarHBondContact O-N 2.97Å
134I97.2Very high97.1Very high0 Ų034.1 Ų34.10%017%0.168CC..THydrogen-bonded Turntrans-92.5-35.3-176.1-58.1-176.2000111.1L64 I86 L95 I100 F131 I137 V138L64-I134 HydrophobicContact CD1-CD1 3.89Å; I86-I134 HydrophobicContact CD1-CD1 4.19Å; L95-I134 HydrophobicContact CD1-CD1 4.03Å; L95-I134 HydrophobicContact CD1-CG1 3.94Å; I100-I134 HydrophobicContact CD1-CD1 3.99Å; I100-I134 HydrophobicContact CD1-CG1 4.3Å; I100-I134 HydrophobicContact CG2-CG2 4.27Å; F131-I134 HydrophobicContact CB-CB 4.28Å; F131-I134 HydrophobicContact CB-CD1 4.28Å; F131-I134 HydrophobicContact CB-CG1 4.16Å; F131-I134 HydrophobicContact CD2-CD1 3.83Å; F131-I134 PolarHBondContact O-N 2.85Å; I134-I137 WeakPolarHBondContact O-CB 3.35Å; I134-I137 PolarHBondContact O-N 2.98Å; I134-V138 HydrophobicContact CG2-CG2 3.79Å; I134-V138 PolarHBondContact O-N 3.49Å; I134-V138 VanDerWaalsContact O-N 3.14Å
135F97.2Very high97.1Very high1 Ų136.7 Ų36.70%0.00418%0.18CC..Hα-helixtrans-53.5-47.2-174.3-172.9-85.4000113.5H129 F131 I137 V138 A139 L149 A151 F157 L159H129-F135 WeakPolarHBondContact O-CA 3.45Å; H129-F135 VanDerWaalsContact O-CB 3.23Å; H129-F135 WeakPolarHBondContact O-CB 3.45Å; H129-F135 WeakPolarHBondContact O-CD2 3.26Å; H129-F135 PolarHBondContact O-N 3.13Å; F131-F135 PolarHBondContact O-N 2.93Å; F135-I137 PolarHBondContact O-N 2.96Å; F135-V138 PolarHBondContact O-N 2.91Å; F135-A139 HydrophobicContact CD1-CB 4.13Å; F135-A139 HydrophobicContact CE1-CB 3.77Å; F135-A139 HydrophobicContact CZ-CB 4.25Å; F135-A139 WeakPolarHBondContact O-CB 3.36Å; F135-A139 PolarHBondContact O-N 3.5Å; F135-L149 HydrophobicContact CE2-CD2 4.09Å; F135-L149 HydrophobicContact CZ-CD2 4.15Å; F135-A151 HydrophobicContact CE2-CB 4.2Å; F135-A151 HydrophobicContact CZ-CB 4.24Å; F135-F157 HydrophobicContact CB-CD1 3.84Å; F135-F157 HydrophobicContact CB-CE1 3.61Å; F135-F157 HydrophobicContact CB-CZ 4.14Å; F135-F157 HydrophobicContact CD1-CB 3.67Å; F135-F157 AromaticContact CD1-CD1 3.47Å; F135-F157 HydrophobicContact CD1-CD1 3.47Å; F135-F157 VanDerWaalsContact CD1-CD1 3.47Å; F135-F157 HydrophobicContact CD1-CD2 4.13Å; F135-F157 HydrophobicContact CD1-CE1 4.09Å; F135-F157 AromaticContact CD1-CG 3.49Å; F135-F157 HydrophobicContact CD1-CG 3.49Å; F135-F157 VanDerWaalsContact CD1-CG 3.49Å; F135-F157 HydrophobicContact CD2-CD1 4.08Å; F135-F157 AromaticContact CD2-CD2 3.84Å; F135-F157 HydrophobicContact CD2-CD2 3.84Å; F135-F157 AromaticContact CD2-CE1 3.98Å; F135-F157 HydrophobicContact CD2-CE1 3.98Å; F135-F157 AromaticContact CD2-CE2 3.7Å; F135-F157 HydrophobicContact CD2-CE2 3.7Å; F135-F157 HydrophobicContact CD2-CG 4.02Å; F135-F157 AromaticContact CD2-CZ 3.78Å; F135-F157 HydrophobicContact CD2-CZ 3.78Å; F135-F157 HydrophobicContact CE1-CB 3.38Å; F135-F157 HydrophobicContact CE1-CD1 4.05Å; F135-F157 AromaticContact CE1-CD2 3.99Å; F135-F157 HydrophobicContact CE1-CD2 3.99Å; F135-F157 AromaticContact CE1-CG 3.56Å; F135-F157 HydrophobicContact CE1-CG 3.56Å; F135-F157 AromaticContact CE2-CD2 3.66Å; F135-F157 HydrophobicContact CE2-CD2 3.66Å; F135-F157 AromaticContact CE2-CE2 3.83Å; F135-F157 HydrophobicContact CE2-CE2 3.83Å; F135-F157 HydrophobicContact CE2-CG 4.05Å; F135-F157 HydrophobicContact CE2-CZ 4.38Å; F135-F157 HydrophobicContact CG-CB 4.41Å; F135-F157 AromaticContact CG-CD1 3.5Å; F135-F157 HydrophobicContact CG-CD1 3.5Å; F135-F157 VanDerWaalsContact CG-CD1 3.5Å; F135-F157 HydrophobicContact CG-CD2 4.07Å; F135-F157 AromaticContact CG-CE1 3.6Å; F135-F157 HydrophobicContact CG-CE1 3.6Å; F135-F157 HydrophobicContact CG-CE2 4.13Å; F135-F157 AromaticContact CG-CG 3.75Å; F135-F157 HydrophobicContact CG-CG 3.75Å; F135-F157 AromaticContact CG-CZ 3.92Å; F135-F157 HydrophobicContact CG-CZ 3.92Å; F135-F157 HydrophobicContact CZ-CB 3.88Å; F135-F157 AromaticContact CZ-CD2 3.74Å; F135-F157 HydrophobicContact CZ-CD2 3.74Å; F135-F157 HydrophobicContact CZ-CE2 4.37Å; F135-F157 AromaticContact CZ-CG 3.83Å; F135-F157 HydrophobicContact CZ-CG 3.83Å; F135-L159 HydrophobicContact CE1-CD2 3.67Å; F135-L159 HydrophobicContact CZ-CD2 3.46Å; F135-L159 VanDerWaalsContact CZ-CD2 3.46Å
136P95.9Very high97Very high61 Ų6138.2 Ų38.240%0.39620%0.2SC..Hα-helixtrans-62.4-31.2179.4-23.235000113.6P132 R140P132-P136 WeakPolarHBondContact O-CD 3.08Å; P136-R140 WeakPolarHBondContact O-CB 3.48Å; P136-R140 PolarHBondContact O-N 3.39Å; P136-R140 VanDerWaalsContact O-N 3.1Å
137I97.4Very high97Very high29 Ų2935.1 Ų35.115%0.14919%0.186CC..Hα-helixtrans-68.5-52.5178.1-60.5170000109.2L97 T101 L104 I134 F135 F141L97-I137 HydrophobicContact CB-CD1 3.99Å; L97-I137 HydrophobicContact CD2-CD1 4.03Å; L97-I137 HydrophobicContact CG-CD1 4.39Å; T101-I137 HydrophobicContact CG2-CG2 4.37Å; T101-I137 WeakPolarHBondContact OG1-CG2 3.44Å; L104-I137 HydrophobicContact CD2-CG2 4.25Å; I134-I137 WeakPolarHBondContact O-CB 3.35Å; I134-I137 PolarHBondContact O-N 2.98Å; F135-I137 PolarHBondContact O-N 2.96Å; I137-F141 WeakPolarHBondContact O-CB 3.43Å; I137-F141 PolarHBondContact O-N 2.92Å
138V98Very high97.1Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-67.9-41.5-177.9-178.60000111.2F62 L104 L122 H129 I134 F135 F141 A142 L149F62-V138 HydrophobicContact CD1-CG2 4.29Å; F62-V138 HydrophobicContact CE1-CG2 4.29Å; L104-V138 HydrophobicContact CD2-CG2 4.15Å; L122-V138 HydrophobicContact CD1-CG1 4.2Å; H129-V138 HydrophobicContact CB-CB 4.37Å; H129-V138 HydrophobicContact CB-CG1 4.28Å; H129-V138 HydrophobicContact CB-CG2 4.09Å; I134-V138 HydrophobicContact CG2-CG2 3.79Å; I134-V138 PolarHBondContact O-N 3.49Å; I134-V138 VanDerWaalsContact O-N 3.14Å; F135-V138 PolarHBondContact O-N 2.91Å; V138-F141 PolarHBondContact O-N 2.79Å; V138-A142 VanDerWaalsContact O-CB 3.32Å; V138-A142 WeakPolarHBondContact O-CB 3.02Å; V138-A142 PolarHBondContact O-N 2.9Å; V138-L149 HydrophobicContact CG1-CD1 3.77Å; V138-L149 HydrophobicContact CG1-CD2 4.38Å
139A97.3Very high97.1Very high1 Ų132.9 Ų32.91%0.00818%0.175CC..Hα-helixtrans-62.6-45.8178.200000112.4F135 A142 A143 L149 P160 L163F135-A139 HydrophobicContact CD1-CB 4.13Å; F135-A139 HydrophobicContact CE1-CB 3.77Å; F135-A139 HydrophobicContact CZ-CB 4.25Å; F135-A139 WeakPolarHBondContact O-CB 3.36Å; F135-A139 PolarHBondContact O-N 3.5Å; A139-A142 PolarHBondContact O-N 2.91Å; A139-A143 WeakPolarHBondContact O-CB 3.13Å; A139-A143 PolarHBondContact O-N 2.9Å; A139-L149 HydrophobicContact CB-CD2 3.81Å; A139-P160 HydrophobicContact CB-CG 4.14Å; A139-L163 HydrophobicContact CB-CD2 4.14Å
140R97Very high97.1Very high149 Ų14932.9 Ų32.956%0.56218%0.175SC*.Hα-helixtrans-62.2-47.3175.4-173.9-175.7-55147.16.9110.9P136 A142 A143 E144P136-R140 WeakPolarHBondContact O-CB 3.48Å; P136-R140 PolarHBondContact O-N 3.39Å; P136-R140 VanDerWaalsContact O-N 3.1Å; R140-A142 PolarHBondContact O-N 3.08Å; R140-A143 PolarHBondContact O-N 2.95Å; R140-E144 HydrophobicContact CG-CG 4.4Å; R140-E144 VanDerWaalsContact CG-OE1 3.32Å; R140-E144 WeakPolarHBondContact CG-OE1 3.41Å; R140-E144 WeakPolarHBondContact O-CB 3.35Å; R140-E144 WeakPolarHBondContact O-CG 3.34Å; R140-E144 PolarHBondContact O-N 3.08Å
141F98.2Very high97.1Very high23 Ų2332.2 Ų32.210%0.10117%0.172CC..Hα-helixtrans-59.7-46.2178.9-175.8-94.4000112.1L104 V105 Y108 L122 I137 V138 A143 E144 Q145L104-F141 HydrophobicContact CD1-CD1 4.31Å; L104-F141 HydrophobicContact CD2-CB 3.71Å; L104-F141 HydrophobicContact CD2-CD1 3.88Å; L104-F141 HydrophobicContact CD2-CD2 4.28Å; L104-F141 HydrophobicContact CD2-CG 3.69Å; L104-F141 HydrophobicContact CG-CD1 4.01Å; L104-F141 HydrophobicContact CG-CE1 4.26Å; L104-F141 HydrophobicContact CG-CG 4.17Å; V105-F141 HydrophobicContact CG2-CD2 4.5Å; V105-F141 HydrophobicContact CG2-CE2 3.86Å; Y108-F141 HydrophobicContact CD1-CE1 4.22Å; Y108-F141 AromaticContact CD1-CZ 3.64Å; Y108-F141 HydrophobicContact CD1-CZ 3.64Å; Y108-F141 HydrophobicContact CD2-CE1 4.05Å; Y108-F141 HydrophobicContact CD2-CZ 4.3Å; Y108-F141 HydrophobicContact CE1-CZ 4.2Å; Y108-F141 AromaticContact CG-CE1 3.8Å; Y108-F141 HydrophobicContact CG-CE1 3.8Å; Y108-F141 AromaticContact CG-CZ 3.65Å; Y108-F141 HydrophobicContact CG-CZ 3.65Å; L122-F141 HydrophobicContact CD1-CD1 3.93Å; L122-F141 HydrophobicContact CD1-CE1 4.38Å; I137-F141 WeakPolarHBondContact O-CB 3.43Å; I137-F141 PolarHBondContact O-N 2.92Å; V138-F141 PolarHBondContact O-N 2.79Å; F141-A143 PolarHBondContact O-N 3.5Å; F141-E144 PolarHBondContact O-N 3.47Å; F141-Q145 HydrophobicContact CD1-CG 4.22Å; F141-Q145 HydrophobicContact CE1-CG 3.85Å; F141-Q145 HydrophobicContact CE2-CG 4.21Å; F141-Q145 HydrophobicContact CZ-CG 3.86Å; F141-Q145 WeakPolarHBondContact O-CB 3.47Å; F141-Q145 WeakPolarHBondContact O-CG 3.5Å; F141-Q145 PolarHBondContact O-N 2.98Å
142A98.2Very high96.9Very high0 Ų032.3 Ų32.30%017%0.174CC..Hα-helixtrans-58.7-47.3176.400000111.5L122 V138 A139 R140 E144 Q145 G146 I147 L149 L163L122-A142 HydrophobicContact CD1-CB 4.1Å; V138-A142 VanDerWaalsContact O-CB 3.32Å; V138-A142 WeakPolarHBondContact O-CB 3.02Å; V138-A142 PolarHBondContact O-N 2.9Å; A139-A142 PolarHBondContact O-N 2.91Å; R140-A142 PolarHBondContact O-N 3.08Å; A142-E144 PolarHBondContact O-N 3.25Å; A142-Q145 PolarHBondContact O-N 2.81Å; A142-G146 PolarHBondContact O-N 3.41Å; A142-I147 CarbonylContact C-O 3.49Å; A142-I147 PolarHBondContact O-N 3.4Å; A142-L149 HydrophobicContact CB-CB 4.19Å; A142-L163 HydrophobicContact CB-CD1 3.74Å
143A97.1Very high96.3Very high8 Ų833.6 Ų33.67%0.06617%0.167CC..Hα-helixtrans-61.6-43.3178.200000112.5A139 R140 F141 G146 P160 N162 L163A139-A143 WeakPolarHBondContact O-CB 3.13Å; A139-A143 PolarHBondContact O-N 2.9Å; R140-A143 PolarHBondContact O-N 2.95Å; F141-A143 PolarHBondContact O-N 3.5Å; A143-G146 PolarHBondContact O-N 3.07Å; A143-P160 HydrophobicContact CB-CB 3.87Å; A143-P160 HydrophobicContact CB-CG 4.19Å; A143-N162 PolarHBondContact O-ND2 3.32Å; A143-N162 VanDerWaalsContact O-ND2 3.14Å; A143-L163 HydrophobicContact CB-CB 4.41Å; A143-L163 HydrophobicContact CB-CD1 4.31Å
144E97.5Very high95.4Very high130 Ų13038.4 Ų38.461%0.60719%0.19SC*.Hα-helixtrans-65-37.6176.6-74.4172.5-177.100112.5R140 F141 A142 G146R140-E144 HydrophobicContact CG-CG 4.4Å; R140-E144 VanDerWaalsContact CG-OE1 3.32Å; R140-E144 WeakPolarHBondContact CG-OE1 3.41Å; R140-E144 WeakPolarHBondContact O-CB 3.35Å; R140-E144 WeakPolarHBondContact O-CG 3.34Å; R140-E144 PolarHBondContact O-N 3.08Å; F141-E144 PolarHBondContact O-N 3.47Å; A142-E144 PolarHBondContact O-N 3.25Å; E144-G146 VanDerWaalsContact C-N 3.3Å; E144-G146 PolarHBondContact O-N 3.32Å
145Q97.7Very high94.6Very high54 Ų5441.9 Ų41.925%0.25221%0.207SC..Hα-helixtrans-80.9-9.8178.9-64.6-53.3-44.600113.9Y108 K118 F141 A142 I147Y108-Q145 HydrophobicContact CE1-CG 4.24Å; Y108-Q145 HydrophobicContact CE2-CG 4.42Å; Y108-Q145 PolarHBondContact OH-OE1 3.04Å; K118-Q145 PolarHBondContact NZ-O 2.89Å; F141-Q145 HydrophobicContact CD1-CG 4.22Å; F141-Q145 HydrophobicContact CE1-CG 3.85Å; F141-Q145 HydrophobicContact CE2-CG 4.21Å; F141-Q145 HydrophobicContact CZ-CG 3.86Å; F141-Q145 WeakPolarHBondContact O-CB 3.47Å; F141-Q145 WeakPolarHBondContact O-CG 3.5Å; F141-Q145 PolarHBondContact O-N 2.98Å; A142-Q145 PolarHBondContact O-N 2.81Å; Q145-I147 HydrophobicContact CB-CD1 3.47Å; Q145-I147 VanDerWaalsContact CB-CD1 3.47Å; Q145-I147 HydrophobicContact CB-CG1 3.86Å; Q145-I147 HydrophobicContact CG-CD1 4.38Å
146G96.6Very high93.5Very high49 Ų4947 Ų4751%0.50525%0.249SC..THydrogen-bonded Turntrans74.927.4-176.300000113.4A142 A143 E144A142-G146 PolarHBondContact O-N 3.41Å; A143-G146 PolarHBondContact O-N 3.07Å; E144-G146 VanDerWaalsContact C-N 3.3Å; E144-G146 PolarHBondContact O-N 3.32Å
147I97.3Very high92.7Very high5 Ų545.9 Ų45.93%0.02624%0.238CC..  trans-109.3143.4-172.5-60.4168.7000108.5Y108 K118 P119 L122 A142 Q145Y108-I147 HydrophobicContact CD2-CD1 4.23Å; Y108-I147 HydrophobicContact CE2-CD1 3.4Å; Y108-I147 VanDerWaalsContact CE2-CD1 3.4Å; K118-I147 HydrophobicContact CB-CD1 4.38Å; K118-I147 HydrophobicContact CD-CD1 4.38Å; P119-I147 HydrophobicContact CG-CD1 3.99Å; P119-I147 HydrophobicContact CG-CG2 4.49Å; L122-I147 HydrophobicContact CG-CG2 4.08Å; A142-I147 CarbonylContact C-O 3.49Å; A142-I147 PolarHBondContact O-N 3.4Å; Q145-I147 HydrophobicContact CB-CD1 3.47Å; Q145-I147 VanDerWaalsContact CB-CD1 3.47Å; Q145-I147 HydrophobicContact CB-CG1 3.86Å; Q145-I147 HydrophobicContact CG-CD1 4.38Å
148A98.2Very high92Very high0 Ų052.2 Ų52.20%027%0.272CS..EExtended strand (participates in β ladder)trans-74.4163.3177.200000112T120 H121 L122 R164 Y246T120-A148 PolarHBondContact O-N 3.22Å; H121-A148 CarbonylContact C-O 3.58Å; H121-A148 WeakPolarHBondContact CA-O 3.4Å; H121-A148 HydrophobicContact CB-CB 3.91Å; H121-A148 WeakPolarHBondContact CB-O 3.38Å; L122-A148 PolarHBondContact N-O 3.26Å; A148-R164 CarbonylContact C-O 3.43Å; A148-R164 WeakPolarHBondContact CA-O 3.47Å; A148-R164 HydrophobicContact CB-CB 3.82Å; A148-R164 VanDerWaalsContact CB-O 3.31Å; A148-R164 WeakPolarHBondContact CB-O 3.46Å; A148-Y246 HydrophobicContact CB-CD1 3.37Å; A148-Y246 HydrophobicContact CB-CE1 3.93Å; A148-Y246 HydrophobicContact CB-CG 4.28Å
149L98.2Very high91.5Very high0 Ų055.3 Ų55.30%029%0.288CS..EExtended strand (participates in β ladder)trans-132.4133.4179178.258.5000110L122 F135 V138 A139 A142 A151 L163 R164 T165L122-L149 HydrophobicContact CB-CD1 3.95Å; L122-L149 WeakPolarHBondContact O-CA 3.36Å; L122-L149 WeakPolarHBondContact O-CD1 3.44Å; F135-L149 HydrophobicContact CE2-CD2 4.09Å; F135-L149 HydrophobicContact CZ-CD2 4.15Å; V138-L149 HydrophobicContact CG1-CD1 3.77Å; V138-L149 HydrophobicContact CG1-CD2 4.38Å; A139-L149 HydrophobicContact CB-CD2 3.81Å; A142-L149 HydrophobicContact CB-CB 4.19Å; L149-A151 PolarHBondContact O-N 3.07Å; L149-L163 HydrophobicContact CB-CD1 3.81Å; L149-L163 HydrophobicContact CB-CD2 4.24Å; L149-L163 HydrophobicContact CB-CG 4.36Å; L149-L163 HydrophobicContact CD2-CD1 4.46Å; L149-L163 HydrophobicContact CD2-CD2 4.03Å; L149-R164 PolarHBondContact N-O 2.85Å; L149-T165 WeakPolarHBondContact O-CB 3.32Å; L149-T165 PolarHBondContact O-OG1 3.04Å
150R98.2Very high91.1Very high0 Ų057.1 Ų57.10%030%0.3CS..  trans-60.7124.8162.3173.7179.4-69.6176.3-12.6108.7N8 D10 L122 D123 H129 M130 F169 E199 Y246N8-R150 PolarHBondContact ND2-NH2 2.9Å; D10-R150 IonicContact OD1-CZ 3.26Å; D10-R150 IonicContact OD1-NH1 3.42Å; D10-R150 PolarHBondContact OD1-NH1 2.86Å; D10-R150 IonicContact OD1-NH2 3.56Å; D10-R150 PolarHBondContact OD1-NH2 3.33Å; D10-R150 IonicContact OD2-CZ 2.69Å; D10-R150 IonicContact OD2-NH1 2.91Å; D10-R150 PolarHBondContact OD2-NH1 3.41Å; D10-R150 IonicContact OD2-NH2 3.17Å; L122-R150 PolarHBondContact O-N 2.82Å; D123-R150 HydrophobicContact CB-CB 3.61Å; D123-R150 HydrophobicContact CB-CG 4.32Å; D123-R150 IonicContact OD2-CZ 2.76Å; D123-R150 IonicContact OD2-NE 3.48Å; D123-R150 IonicContact OD2-NH1 3.3Å; D123-R150 PolarHBondContact OD2-NH1 2.61Å; D123-R150 IonicContact OD2-NH2 3.17Å; H129-R150 PolarHBondContact NE2-O 3.49Å; M130-R150 HydrophobicContact CE-CG 3.82Å; R150-F169 HydrophobicContact CG-CD2 3.78Å; R150-F169 HydrophobicContact CG-CE2 3.82Å; R150-F169 HydrophobicContact CG-CG 4.35Å; R150-F169 HydrophobicContact CG-CZ 4.39Å; R150-E199 VanDerWaalsContact CG-OE2 3.27Å; R150-E199 WeakPolarHBondContact CG-OE2 3.13Å; R150-E199 IonicContact CZ-OE1 3.93Å; R150-E199 VanDerWaalsContact NE-CD 3.26Å; R150-E199 IonicContact NE-OE1 3.56Å; R150-E199 PolarHBondContact NE-OE1 3.03Å; R150-E199 IonicContact NE-OE2 2.99Å; R150-E199 PolarHBondContact NE-OE2 3.43Å; R150-E199 IonicContact NH2-OE1 2.72Å; R150-E199 PolarHBondContact NH2-OE1 3.17Å; R150-Y246 VanDerWaalsContact CA-OH 3.26Å; R150-Y246 WeakPolarHBondContact CA-OH 3.39Å
151A95.2Very high90.7Very high0 Ų057.5 Ų57.50%032%0.319CS..  trans-142.6131.6176.100000109.5F135 L149 R153 F169F135-A151 HydrophobicContact CE2-CB 4.2Å; F135-A151 HydrophobicContact CZ-CB 4.24Å; L149-A151 PolarHBondContact O-N 3.07Å; A151-R153 PolarHBondContact O-N 3.47Å; A151-F169 WeakPolarHBondContact O-CB 3.46Å
152D90.9Very high90.5Very high33 Ų3361.4 Ų61.418%0.17634%0.341CS..  trans-82.2103.5163.5-171.5-10.5000108.6M130 Q154 M155 F169M130-D152 HydrophobicContact CE-CB 4.31Å; M130-D152 HydrophobicContact SD-CB 4.24Å; D152-Q154 PolarHBondContact O-N 2.91Å; D152-Q154 VanDerWaalsContact OD1-CB 3.26Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.43Å; D152-Q154 WeakPolarHBondContact OD1-CG 3.39Å; D152-Q154 PolarHBondContact OD1-N 3.3Å; D152-M155 HydrophobicContact CB-CG 4Å; D152-M155 HydrophobicContact CB-SD 4.1Å; D152-M155 WeakPolarHBondContact O-CB 3.49Å; D152-M155 PolarHBondContact O-N 3.42Å; D152-F169 HydrophobicContact CB-CD1 3.98Å
153R82.4Confident90.3Very high120 Ų12062.3 Ų62.345%0.45335%0.346SS..THydrogen-bonded Turntrans-69.2-7.4179.5-62.1-163.8-172-159.83.5113.7A151 T165 T166 Q167A151-R153 PolarHBondContact O-N 3.47Å; R153-T165 VanDerWaalsContact NH2-CG2 3.34Å; R153-T165 PolarHBondContact NH2-O 2.72Å; R153-T165 VanDerWaalsContact NH2-O 3.09Å; R153-T166 VanDerWaalsContact CZ-O 3.23Å; R153-T166 PolarHBondContact NE-O 3.37Å; R153-T166 PolarHBondContact NH2-O 2.77Å; R153-Q167 WeakPolarHBondContact CD-O 3.44Å
154Q78.3Confident90.3Very high144 Ų14466.2 Ų66.267%0.67336%0.359SS*.THydrogen-bonded Turntrans-75.7-19.5169.6-56.4-175.214.600111.5D152D152-Q154 PolarHBondContact O-N 2.91Å; D152-Q154 VanDerWaalsContact OD1-CB 3.26Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.43Å; D152-Q154 WeakPolarHBondContact OD1-CG 3.39Å; D152-Q154 PolarHBondContact OD1-N 3.3Å
155M80.7Confident90.3Very high73 Ų7360.5 Ų60.536%0.3633%0.333SS..SBendtrans-79.2144.3171.7-60.5-177.67500110.6M130 D152 F157M130-M155 HydrophobicContact CB-CE 4.13Å; M130-M155 HydrophobicContact CB-SD 3.99Å; M130-M155 HydrophobicContact CG-SD 4.36Å; M130-M155 WeakPolarHBondContact O-CE 3.34Å; M130-M155 HydrophobicContact SD-SD 3.89Å; D152-M155 HydrophobicContact CB-CG 4Å; D152-M155 HydrophobicContact CB-SD 4.1Å; D152-M155 WeakPolarHBondContact O-CB 3.49Å; D152-M155 PolarHBondContact O-N 3.42Å; M155-F157 HydrophobicContact CB-CD2 3.65Å; M155-F157 HydrophobicContact CB-CE2 3.25Å; M155-F157 HydrophobicContact CB-CZ 3.81Å; M155-F157 HydrophobicContact CE-CE1 4.43Å; M155-F157 HydrophobicContact CE-CE2 3.98Å; M155-F157 HydrophobicContact CE-CZ 3.49Å; M155-F157 VanDerWaalsContact CE-CZ 3.49Å; M155-F157 HydrophobicContact CG-CE2 4.01Å; M155-F157 HydrophobicContact CG-CZ 4.42Å; M155-F157 PolarHBondContact O-N 2.89Å; M155-F157 HydrophobicContact SD-CE2 3.64Å; M155-F157 HydrophobicContact SD-CZ 3.78Å
156A74Confident90.2Very high109 Ų10958 Ų5890%0.90132%0.321SS*.  trans-78.681.5-178.200000111.2
157F78.4Confident90.1Very high36 Ų3658.7 Ų58.716%0.15831%0.311CS..  trans-115.9137.5174.6-58.7-57.9000112.5M130 F135 M155 L159M130-F157 HydrophobicContact CB-CZ 4.14Å; M130-F157 VanDerWaalsContact O-CZ 3.29Å; M130-F157 WeakPolarHBondContact O-CZ 3.47Å; F135-F157 HydrophobicContact CB-CD1 3.84Å; F135-F157 HydrophobicContact CB-CE1 3.61Å; F135-F157 HydrophobicContact CB-CZ 4.14Å; F135-F157 HydrophobicContact CD1-CB 3.67Å; F135-F157 AromaticContact CD1-CD1 3.47Å; F135-F157 HydrophobicContact CD1-CD1 3.47Å; F135-F157 VanDerWaalsContact CD1-CD1 3.47Å; F135-F157 HydrophobicContact CD1-CD2 4.13Å; F135-F157 HydrophobicContact CD1-CE1 4.09Å; F135-F157 AromaticContact CD1-CG 3.49Å; F135-F157 HydrophobicContact CD1-CG 3.49Å; F135-F157 VanDerWaalsContact CD1-CG 3.49Å; F135-F157 HydrophobicContact CD2-CD1 4.08Å; F135-F157 AromaticContact CD2-CD2 3.84Å; F135-F157 HydrophobicContact CD2-CD2 3.84Å; F135-F157 AromaticContact CD2-CE1 3.98Å; F135-F157 HydrophobicContact CD2-CE1 3.98Å; F135-F157 AromaticContact CD2-CE2 3.7Å; F135-F157 HydrophobicContact CD2-CE2 3.7Å; F135-F157 HydrophobicContact CD2-CG 4.02Å; F135-F157 AromaticContact CD2-CZ 3.78Å; F135-F157 HydrophobicContact CD2-CZ 3.78Å; F135-F157 HydrophobicContact CE1-CB 3.38Å; F135-F157 HydrophobicContact CE1-CD1 4.05Å; F135-F157 AromaticContact CE1-CD2 3.99Å; F135-F157 HydrophobicContact CE1-CD2 3.99Å; F135-F157 AromaticContact CE1-CG 3.56Å; F135-F157 HydrophobicContact CE1-CG 3.56Å; F135-F157 AromaticContact CE2-CD2 3.66Å; F135-F157 HydrophobicContact CE2-CD2 3.66Å; F135-F157 AromaticContact CE2-CE2 3.83Å; F135-F157 HydrophobicContact CE2-CE2 3.83Å; F135-F157 HydrophobicContact CE2-CG 4.05Å; F135-F157 HydrophobicContact CE2-CZ 4.38Å; F135-F157 HydrophobicContact CG-CB 4.41Å; F135-F157 AromaticContact CG-CD1 3.5Å; F135-F157 HydrophobicContact CG-CD1 3.5Å; F135-F157 VanDerWaalsContact CG-CD1 3.5Å; F135-F157 HydrophobicContact CG-CD2 4.07Å; F135-F157 AromaticContact CG-CE1 3.6Å; F135-F157 HydrophobicContact CG-CE1 3.6Å; F135-F157 HydrophobicContact CG-CE2 4.13Å; F135-F157 AromaticContact CG-CG 3.75Å; F135-F157 HydrophobicContact CG-CG 3.75Å; F135-F157 AromaticContact CG-CZ 3.92Å; F135-F157 HydrophobicContact CG-CZ 3.92Å; F135-F157 HydrophobicContact CZ-CB 3.88Å; F135-F157 AromaticContact CZ-CD2 3.74Å; F135-F157 HydrophobicContact CZ-CD2 3.74Å; F135-F157 HydrophobicContact CZ-CE2 4.37Å; F135-F157 AromaticContact CZ-CG 3.83Å; F135-F157 HydrophobicContact CZ-CG 3.83Å; M155-F157 HydrophobicContact CB-CD2 3.65Å; M155-F157 HydrophobicContact CB-CE2 3.25Å; M155-F157 HydrophobicContact CB-CZ 3.81Å; M155-F157 HydrophobicContact CE-CE1 4.43Å; M155-F157 HydrophobicContact CE-CE2 3.98Å; M155-F157 HydrophobicContact CE-CZ 3.49Å; M155-F157 VanDerWaalsContact CE-CZ 3.49Å; M155-F157 HydrophobicContact CG-CE2 4.01Å; M155-F157 HydrophobicContact CG-CZ 4.42Å; M155-F157 PolarHBondContact O-N 2.89Å; M155-F157 HydrophobicContact SD-CE2 3.64Å; M155-F157 HydrophobicContact SD-CZ 3.78Å; F157-L159 HydrophobicContact CB-CD2 4.24Å; F157-L159 PolarHBondContact O-N 3.36Å
158D83.6Confident90.1Very high163 Ų16358.8 Ų58.887%0.87231%0.313SS*.  trans-76.5109163.6-74-33.4000109.3
159L86Confident90Very high64 Ų6459.4 Ų59.434%0.33532%0.315SS..  trans-86.3131.8178.6-57.6179.2000110.4F135 F157 V161 L163 T165F135-L159 HydrophobicContact CE1-CD2 3.67Å; F135-L159 HydrophobicContact CZ-CD2 3.46Å; F135-L159 VanDerWaalsContact CZ-CD2 3.46Å; F157-L159 HydrophobicContact CB-CD2 4.24Å; F157-L159 PolarHBondContact O-N 3.36Å; L159-V161 PolarHBondContact O-N 3.08Å; L159-L163 HydrophobicContact CD2-CD2 4.02Å; L159-T165 HydrophobicContact CD1-CG2 4.26Å
160P89.6Confident90Very high40 Ų4060.1 Ų60.126%0.2632%0.321SS..  trans-54.9138.8168.3-21.831.1000110.9A139 A143 N162 L163A139-P160 HydrophobicContact CB-CG 4.14Å; A143-P160 HydrophobicContact CB-CB 3.87Å; A143-P160 HydrophobicContact CB-CG 4.19Å; P160-N162 PolarHBondContact O-N 3.25Å; P160-N162 VanDerWaalsContact O-N 3.13Å; P160-L163 HydrophobicContact CB-CB 4.11Å; P160-L163 HydrophobicContact CG-CB 4.33Å; P160-L163 VanDerWaalsContact O-CB 3.22Å; P160-L163 WeakPolarHBondContact O-CB 3.48Å; P160-L163 PolarHBondContact O-N 3.48Å
161V89.2Confident89.9Confident156 Ų15662.8 Ų62.895%0.94534%0.339SS*.THydrogen-bonded Turntrans-58-32.8-174.1175.60000112.8L159L159-V161 PolarHBondContact O-N 3.08Å
162N93.2Very high89.9Confident106 Ų10665.2 Ų65.257%0.56736%0.359SS*.THydrogen-bonded Turntrans-94.56.1179.465.6-46000113.7A143 P160 R164A143-N162 PolarHBondContact O-ND2 3.32Å; A143-N162 VanDerWaalsContact O-ND2 3.14Å; P160-N162 PolarHBondContact O-N 3.25Å; P160-N162 VanDerWaalsContact O-N 3.13Å; N162-R164 PolarHBondContact O-N 3Å
163L95.1Very high90.2Very high19 Ų1963.6 Ų63.610%0.09935%0.351CS..  trans-72.1124.8177.3-176.365.5000110.3A139 A142 A143 L149 L159 P160A139-L163 HydrophobicContact CB-CD2 4.14Å; A142-L163 HydrophobicContact CB-CD1 3.74Å; A143-L163 HydrophobicContact CB-CB 4.41Å; A143-L163 HydrophobicContact CB-CD1 4.31Å; L149-L163 HydrophobicContact CB-CD1 3.81Å; L149-L163 HydrophobicContact CB-CD2 4.24Å; L149-L163 HydrophobicContact CB-CG 4.36Å; L149-L163 HydrophobicContact CD2-CD1 4.46Å; L149-L163 HydrophobicContact CD2-CD2 4.03Å; L159-L163 HydrophobicContact CD2-CD2 4.02Å; P160-L163 HydrophobicContact CB-CB 4.11Å; P160-L163 HydrophobicContact CG-CB 4.33Å; P160-L163 VanDerWaalsContact O-CB 3.22Å; P160-L163 WeakPolarHBondContact O-CB 3.48Å; P160-L163 PolarHBondContact O-N 3.48Å
164R96.3Very high90.8Very high90 Ų9063.4 Ų63.434%0.3435%0.351SS..  trans-85.5126.3172.5-67.6167.964-150.90.3109A148 L149 N162 Y246 V249A148-R164 CarbonylContact C-O 3.43Å; A148-R164 WeakPolarHBondContact CA-O 3.47Å; A148-R164 HydrophobicContact CB-CB 3.82Å; A148-R164 VanDerWaalsContact CB-O 3.31Å; A148-R164 WeakPolarHBondContact CB-O 3.46Å; L149-R164 PolarHBondContact N-O 2.85Å; N162-R164 PolarHBondContact O-N 3Å; R164-Y246 PolarHBondContact NH2-O 3.18Å; R164-V249 HydrophobicContact CB-CG1 4.27Å; R164-V249 PolarHBondContact NE-O 3.36Å; R164-V249 PolarHBondContact NH2-O 3.19Å
165T96.6Very high91.6Very high10 Ų1057.5 Ų57.56%0.06133%0.328CS..  trans-159154.2177.4-173.50000110.1L149 R153 L159 V249L149-T165 WeakPolarHBondContact O-CB 3.32Å; L149-T165 PolarHBondContact O-OG1 3.04Å; R153-T165 VanDerWaalsContact NH2-CG2 3.34Å; R153-T165 PolarHBondContact NH2-O 2.72Å; R153-T165 VanDerWaalsContact NH2-O 3.09Å; L159-T165 HydrophobicContact CD1-CG2 4.26Å; T165-V249 VanDerWaalsContact C-CG1 3.46Å; T165-V249 WeakPolarHBondContact O-CG1 3.41Å
166T96.5Very high92Very high0 Ų061.6 Ų61.60%035%0.347CS..  trans-63.4161.3175.351.70000111.3I6 R153 G168 S197 E199 Y246 V249I6-T166 HydrophobicContact CD1-CG2 3.7Å; R153-T166 VanDerWaalsContact CZ-O 3.23Å; R153-T166 PolarHBondContact NE-O 3.37Å; R153-T166 PolarHBondContact NH2-O 2.77Å; T166-G168 VanDerWaalsContact CB-O 3.29Å; T166-G168 WeakPolarHBondContact CB-O 3.4Å; T166-G168 PolarHBondContact OG1-O 2.7Å; T166-S197 WeakPolarHBondContact CA-OG 3.22Å; T166-E199 HydrophobicContact CG2-CB 4.12Å; T166-Y246 HydrophobicContact CG2-CE1 4.28Å; T166-V249 HydrophobicContact CG2-CG2 4.03Å
167Q95.2Very high92.7Very high65 Ų6564.6 Ų64.630%0.30434%0.342SS..SBendtrans-77.4-36.7175.2-68.3-172.1-30.100111.7R153 D195 R196 S197R153-Q167 WeakPolarHBondContact CD-O 3.44Å; Q167-D195 HydrophobicContact CB-CB 4.42Å; Q167-R196 VanDerWaalsContact OE1-CB 3.23Å; Q167-S197 PolarHBondContact N-O 2.89Å; Q167-S197 VanDerWaalsContact N-O 3.08Å; Q167-S197 PolarHBondContact N-OG 3.35Å
168G95.9Very high93.5Very high6 Ų663.5 Ų63.56%0.06234%0.338CS..EExtended strand (participates in β ladder)trans-120.3153.8171.700000112.5T166 S197 L198 E199T166-G168 VanDerWaalsContact CB-O 3.29Å; T166-G168 WeakPolarHBondContact CB-O 3.4Å; T166-G168 PolarHBondContact OG1-O 2.7Å; G168-S197 PolarHBondContact N-O 2.63Å; G168-L198 WeakPolarHBondContact O-CA 3.33Å; G168-E199 PolarHBondContact O-N 2.76Å
169F97.2Very high94.2Very high13 Ų1357.8 Ų57.86%0.05731%0.31CS..EExtended strand (participates in β ladder)trans-131.7143.5167.4168.1-105.6000108H127 M130 R150 A151 D152 E199 M201H127-F169 AromaticContact CE1-CZ 3.66Å; M130-F169 HydrophobicContact CE-CD1 4.23Å; M130-F169 HydrophobicContact CE-CE1 4.07Å; R150-F169 HydrophobicContact CG-CD2 3.78Å; R150-F169 HydrophobicContact CG-CE2 3.82Å; R150-F169 HydrophobicContact CG-CG 4.35Å; R150-F169 HydrophobicContact CG-CZ 4.39Å; A151-F169 WeakPolarHBondContact O-CB 3.46Å; D152-F169 HydrophobicContact CB-CD1 3.98Å; F169-E199 CarbonylContact C-O 3.51Å; F169-E199 WeakPolarHBondContact CA-O 3.49Å; F169-E199 HydrophobicContact CD2-CB 4.15Å; F169-E199 HydrophobicContact CD2-CG 4.08Å; F169-E199 HydrophobicContact CE2-CG 4.44Å; F169-M201 HydrophobicContact CE2-CB 3.99Å; F169-M201 HydrophobicContact CZ-CB 4.21Å
170S97Very high94.7Very high16 Ų1657.3 Ų57.311%0.11231%0.307CS..EExtended strand (participates in β ladder)trans-136.1126.6171.9-174.30000111.4A172 V186 E199 M201S170-A172 WeakPolarHBondContact OG-CB 3.48Å; S170-A172 PolarHBondContact OG-N 3.32Å; S170-V186 VanDerWaalsContact CB-CG1 3.47Å; S170-V186 WeakPolarHBondContact OG-CG1 3.36Å; S170-E199 PolarHBondContact N-O 3.43Å; S170-M201 PolarHBondContact O-N 3.01Å
171S95.8Very high95.1Very high56 Ų5659.8 Ų59.839%0.39233%0.325SS..  trans-99.67.5168.554.90000112.7F173 Y174S171-F173 VanDerWaalsContact C-N 3.3Å; S171-F173 PolarHBondContact O-N 3.26Å; S171-Y174 WeakPolarHBondContact O-CB 3.25Å
172A95.8Very high95.5Very high50 Ų5054.1 Ų54.141%0.41329%0.289SS..  trans-72.5-19.5-172.700000113.9S170 Y174 V186S170-A172 WeakPolarHBondContact OG-CB 3.48Å; S170-A172 PolarHBondContact OG-N 3.32Å; A172-Y174 PolarHBondContact O-N 3.37Å; A172-V186 HydrophobicContact CB-CG2 3.87Å
173F97.1Very high95.7Very high0 Ų049.1 Ų49.10%026%0.262CS..SBendtrans-78.564.3173.2-168-106.1000110.2S171 I178 L182 F183 V200 C202 E223 V226 L227S171-F173 VanDerWaalsContact C-N 3.3Å; S171-F173 PolarHBondContact O-N 3.26Å; F173-I178 HydrophobicContact CD2-CG2 4.07Å; F173-I178 HydrophobicContact CE1-CG2 3.87Å; F173-I178 HydrophobicContact CE2-CG2 3.35Å; F173-I178 HydrophobicContact CZ-CG2 3.24Å; F173-L182 HydrophobicContact CD2-CD2 4.33Å; F173-F183 HydrophobicContact CD1-CD2 4.29Å; F173-F183 HydrophobicContact CD2-CB 4.04Å; F173-F183 AromaticContact CD2-CD2 3.68Å; F173-F183 HydrophobicContact CD2-CD2 3.68Å; F173-F183 HydrophobicContact CD2-CG 4.34Å; F173-F183 HydrophobicContact CE1-CD2 4.34Å; F173-F183 HydrophobicContact CE2-CB 3.94Å; F173-F183 AromaticContact CE2-CD2 3.73Å; F173-F183 HydrophobicContact CE2-CD2 3.73Å; F173-F183 HydrophobicContact CE2-CG 4.35Å; F173-F183 AromaticContact CG-CD2 3.95Å; F173-F183 HydrophobicContact CG-CD2 3.95Å; F173-F183 HydrophobicContact CZ-CD2 4.06Å; F173-V200 HydrophobicContact CB-CG1 3.97Å; F173-C202 HydrophobicContact CD1-CB 3.94Å; F173-C202 HydrophobicContact CE1-CB 4.22Å; F173-E223 HydrophobicContact CD1-CG 4.28Å; F173-E223 HydrophobicContact CE1-CB 4.02Å; F173-E223 HydrophobicContact CE1-CG 3.66Å; F173-E223 HydrophobicContact CZ-CG 4.3Å; F173-V226 HydrophobicContact CE2-CG1 3.88Å; F173-V226 HydrophobicContact CZ-CB 4.03Å; F173-V226 HydrophobicContact CZ-CG1 3.67Å; F173-L227 HydrophobicContact CE1-CD1 4.18Å; F173-L227 HydrophobicContact CE1-CD2 4.04Å; F173-L227 HydrophobicContact CE1-CG 4.05Å; F173-L227 HydrophobicContact CZ-CD2 4.31Å; F173-L227 HydrophobicContact CZ-CG 4.33Å
174Y96.1Very high95.9Very high115 Ų11549.4 Ų49.445%0.45126%0.264SS..  trans-154.4151-175.7-175.1-92.2000110.5S171 A172 M201 H203 Y216S171-Y174 WeakPolarHBondContact O-CB 3.25Å; A172-Y174 PolarHBondContact O-N 3.37Å; Y174-M201 HydrophobicContact CD2-CE 4.45Å; Y174-H203 AromaticContact CD2-CE1 3.81Å; Y174-H203 AromaticContact CD2-ND1 3.84Å; Y174-Y216 WeakPolarHBondContact CA-OH 3.37Å; Y174-Y216 HydrophobicContact CD1-CE2 4.3Å; Y174-Y216 HydrophobicContact CD2-CD1 4.18Å; Y174-Y216 HydrophobicContact CD2-CD2 4.32Å; Y174-Y216 AromaticContact CD2-CE1 3.6Å; Y174-Y216 HydrophobicContact CD2-CE1 3.6Å; Y174-Y216 AromaticContact CD2-CE2 3.76Å; Y174-Y216 HydrophobicContact CD2-CE2 3.76Å; Y174-Y216 HydrophobicContact CD2-CG 4.49Å; Y174-Y216 AromaticContact CD2-CZ 3.33Å; Y174-Y216 WeakPolarHBondContact CD2-OH 3.41Å; Y174-Y216 HydrophobicContact CE1-CD2 4.17Å; Y174-Y216 HydrophobicContact CE1-CE2 4.08Å; Y174-Y216 AromaticContact CE2-CD1 3.5Å; Y174-Y216 HydrophobicContact CE2-CD1 3.5Å; Y174-Y216 VanDerWaalsContact CE2-CD1 3.5Å; Y174-Y216 AromaticContact CE2-CD2 3.61Å; Y174-Y216 HydrophobicContact CE2-CD2 3.61Å; Y174-Y216 AromaticContact CE2-CE1 3.41Å; Y174-Y216 HydrophobicContact CE2-CE1 3.41Å; Y174-Y216 VanDerWaalsContact CE2-CE1 3.41Å; Y174-Y216 AromaticContact CE2-CE2 3.53Å; Y174-Y216 HydrophobicContact CE2-CE2 3.53Å; Y174-Y216 AromaticContact CE2-CG 3.57Å; Y174-Y216 HydrophobicContact CE2-CG 3.57Å; Y174-Y216 AromaticContact CE2-CZ 3.4Å; Y174-Y216 HydrophobicContact CG-CE2 4.15Å; Y174-Y216 AromaticContact CG-CZ 3.97Å; Y174-Y216 AromaticContact CZ-CD2 3.51Å; Y174-Y216 AromaticContact CZ-CE2 3.69Å; Y174-Y216 AromaticContact CZ-CG 3.74Å
175G94.2Very high95.9Very high20 Ų2050.4 Ų50.421%0.20627%0.272CS..SBendtrans107.4-152.7176.700000112.7I178 Y216 P219G175-I178 WeakPolarHBondContact O-CD1 3.27Å; G175-I178 WeakPolarHBondContact O-CG1 3.3Å; G175-Y216 PolarHBondContact N-OH 2.64Å; G175-P219 WeakPolarHBondContact O-CB 3.43Å
176E89.3Confident96Very high160 Ų16050.2 Ų50.275%0.74827%0.271SS*.SBendtrans-92.2-18.8-175.6-62.8-63.8149.600113.2I178E176-I178 PolarHBondContact O-N 3.3Å
177E89.3Confident96Very high171 Ų17150.2 Ų50.280%0.79927%0.271SS*.  trans-98.532.5-172.4-59.8-166.8141.200113.6S179E177-S179 PolarHBondContact O-N 3.39Å
178I95.6Very high96.1Very high13 Ų1349.8 Ų49.87%0.06727%0.271CS..  trans-68124.9-177.9-57177.3000110F173 G175 E176 Y216 P219 T222 E223 V226F173-I178 HydrophobicContact CD2-CG2 4.07Å; F173-I178 HydrophobicContact CE1-CG2 3.87Å; F173-I178 HydrophobicContact CE2-CG2 3.35Å; F173-I178 HydrophobicContact CZ-CG2 3.24Å; G175-I178 WeakPolarHBondContact O-CD1 3.27Å; G175-I178 WeakPolarHBondContact O-CG1 3.3Å; E176-I178 PolarHBondContact O-N 3.3Å; I178-Y216 WeakPolarHBondContact CD1-OH 3.42Å; I178-P219 HydrophobicContact CD1-CB 3.8Å; I178-T222 HydrophobicContact CB-CG2 4.05Å; I178-T222 HydrophobicContact CG2-CG2 4.24Å; I178-E223 HydrophobicContact CD1-CG 3.32Å; I178-E223 HydrophobicContact CG1-CG 4.44Å; I178-E223 HydrophobicContact CG2-CG 3.85Å; I178-V226 HydrophobicContact CG2-CG2 4.44Å
179S97.2Very high96.2Very high43 Ų4352.9 Ų52.930%0.30129%0.286SS..  trans-155.3163.4-179.561.20000111.7E177 S181 L182 F183E177-S179 PolarHBondContact O-N 3.39Å; S179-S181 PolarHBondContact O-N 2.76Å; S179-L182 PolarHBondContact O-N 3.46Å; S179-L182 WeakPolarHBondContact OG-CB 3.45Å; S179-L182 PolarHBondContact OG-N 2.69Å; S179-F183 PolarHBondContact O-N 3.43Å; S179-F183 VanDerWaalsContact O-N 3.07Å
180E97.4Very high96.1Very high55 Ų5552.2 Ų52.226%0.25728%0.283SS..Hα-helixtrans-56.8-39.6168.6-73.3-174-146.500111.3L182 F183 L184 V226 S229 S231 L232E180-L182 PolarHBondContact O-N 3.12Å; E180-F183 PolarHBondContact O-N 2.83Å; E180-L184 VanDerWaalsContact O-CG 3.28Å; E180-L184 WeakPolarHBondContact O-CG 3.48Å; E180-L184 PolarHBondContact O-N 2.77Å; E180-V226 HydrophobicContact CG-CG1 3.95Å; E180-S229 WeakPolarHBondContact OE1-CB 3.44Å; E180-S229 PolarHBondContact OE1-OG 3.15Å; E180-S231 PolarHBondContact OE1-OG 2.85Å; E180-S231 WeakPolarHBondContact OE2-CB 3.45Å; E180-S231 PolarHBondContact OE2-OG 3.45Å; E180-L232 HydrophobicContact CG-CB 4.21Å
181S97.2Very high96Very high91 Ų9152.8 Ų52.864%0.63629%0.291SS*.Hα-helixtrans-61.2-44.2178.4-59.40000112.1S179 L184 Q185S179-S181 PolarHBondContact O-N 2.76Å; S181-L184 PolarHBondContact O-N 3.42Å; S181-Q185 WeakPolarHBondContact O-CB 3.44Å; S181-Q185 PolarHBondContact O-N 3.07Å
182L97.7Very high96Very high38 Ų3857.8 Ų57.820%0.19931%0.308CS..Hα-helixtrans-60.7-45.8174.6177.463.5000111.1F173 S179 E180 L184 Q185 V186F173-L182 HydrophobicContact CD2-CD2 4.33Å; S179-L182 PolarHBondContact O-N 3.46Å; S179-L182 WeakPolarHBondContact OG-CB 3.45Å; S179-L182 PolarHBondContact OG-N 2.69Å; E180-L182 PolarHBondContact O-N 3.12Å; L182-L184 VanDerWaalsContact C-N 3.34Å; L182-L184 PolarHBondContact O-N 2.95Å; L182-Q185 WeakPolarHBondContact O-CB 3.29Å; L182-Q185 PolarHBondContact O-N 3.24Å; L182-V186 WeakPolarHBondContact O-CG2 3.44Å; L182-V186 PolarHBondContact O-N 2.86Å; L182-V186 VanDerWaalsContact O-N 3.08Å
183F98.3Very high95.9Very high0 Ų060.6 Ų60.60%031%0.308CS..Hα-helixtrans-60.2-45.3178.6-162.2-76.8000111.3L5 V7 I30 F173 S179 E180 Q185 V186 L187 V200 L227 L232 I236L5-F183 HydrophobicContact CD2-CE1 4.15Å; L5-F183 HydrophobicContact CD2-CZ 4.45Å; V7-F183 HydrophobicContact CG1-CE2 4.47Å; V7-F183 HydrophobicContact CG1-CZ 4.47Å; V7-F183 HydrophobicContact CG2-CZ 3.9Å; I30-F183 HydrophobicContact CD1-CE1 3.84Å; I30-F183 HydrophobicContact CD1-CE2 3.96Å; I30-F183 HydrophobicContact CD1-CZ 3.5Å; F173-F183 HydrophobicContact CD1-CD2 4.29Å; F173-F183 HydrophobicContact CD2-CB 4.04Å; F173-F183 AromaticContact CD2-CD2 3.68Å; F173-F183 HydrophobicContact CD2-CD2 3.68Å; F173-F183 HydrophobicContact CD2-CG 4.34Å; F173-F183 HydrophobicContact CE1-CD2 4.34Å; F173-F183 HydrophobicContact CE2-CB 3.94Å; F173-F183 AromaticContact CE2-CD2 3.73Å; F173-F183 HydrophobicContact CE2-CD2 3.73Å; F173-F183 HydrophobicContact CE2-CG 4.35Å; F173-F183 AromaticContact CG-CD2 3.95Å; F173-F183 HydrophobicContact CG-CD2 3.95Å; F173-F183 HydrophobicContact CZ-CD2 4.06Å; S179-F183 PolarHBondContact O-N 3.43Å; S179-F183 VanDerWaalsContact O-N 3.07Å; E180-F183 PolarHBondContact O-N 2.83Å; F183-Q185 VanDerWaalsContact C-N 3.34Å; F183-Q185 PolarHBondContact O-N 3.23Å; F183-V186 WeakPolarHBondContact O-CB 3.47Å; F183-V186 PolarHBondContact O-N 3.18Å; F183-L187 HydrophobicContact CD1-CD1 4.14Å; F183-L187 HydrophobicContact CD1-CG 4.21Å; F183-L187 HydrophobicContact CE1-CD1 4.06Å; F183-L187 HydrophobicContact CE1-CD2 4.09Å; F183-L187 HydrophobicContact CE1-CG 4.18Å; F183-L187 WeakPolarHBondContact O-CG 3.26Å; F183-L187 PolarHBondContact O-N 3.43Å; F183-V200 HydrophobicContact CD2-CG1 4.32Å; F183-V200 HydrophobicContact CE2-CB 4.28Å; F183-V200 HydrophobicContact CE2-CG1 3.69Å; F183-V200 HydrophobicContact CZ-CB 4.21Å; F183-V200 HydrophobicContact CZ-CG1 4.09Å; F183-V200 HydrophobicContact CZ-CG2 4.33Å; F183-L227 HydrophobicContact CD2-CD2 4.15Å; F183-L227 HydrophobicContact CE2-CD2 3.73Å; F183-L232 HydrophobicContact CB-CD1 4.21Å; F183-L232 HydrophobicContact CD1-CD1 3.88Å; F183-L232 HydrophobicContact CD1-CD2 4.36Å; F183-L232 HydrophobicContact CG-CD1 4.21Å; F183-L232 HydrophobicContact CG-CD2 4.24Å; F183-I236 HydrophobicContact CE1-CD1 4.07Å; F183-I236 HydrophobicContact CE1-CG1 4.44Å
184L97.9Very high95.8Very high26 Ų2662.9 Ų62.914%0.13633%0.332CS..Hα-helixtrans-66.3-35.5178.4-66.6179.6000112.5E180 S181 L182 V186 L187 D188 L232 A235E180-L184 VanDerWaalsContact O-CG 3.28Å; E180-L184 WeakPolarHBondContact O-CG 3.48Å; E180-L184 PolarHBondContact O-N 2.77Å; S181-L184 PolarHBondContact O-N 3.42Å; L182-L184 VanDerWaalsContact C-N 3.34Å; L182-L184 PolarHBondContact O-N 2.95Å; L184-V186 VanDerWaalsContact C-N 3.33Å; L184-V186 PolarHBondContact O-N 3.39Å; L184-L187 HydrophobicContact CD2-CD1 4.17Å; L184-L187 WeakPolarHBondContact O-CB 3.42Å; L184-L187 PolarHBondContact O-N 2.53Å; L184-D188 VanDerWaalsContact O-CG 3.27Å; L184-D188 PolarHBondContact O-N 3.46Å; L184-L232 HydrophobicContact CD2-CD1 3.84Å; L184-L232 HydrophobicContact CG-CD1 4.14Å; L184-A235 HydrophobicContact CD1-CB 3.86Å; L184-A235 HydrophobicContact CD2-CB 3.65Å; L184-A235 HydrophobicContact CG-CB 4.39Å
185Q97.6Very high95.8Very high110 Ų11058.3 Ų58.351%0.51432%0.315SS..Hα-helixtrans-60.7-42.6173.3-176.8176.3-8.200111.4S181 L182 F183 L187 D188 D189S181-Q185 WeakPolarHBondContact O-CB 3.44Å; S181-Q185 PolarHBondContact O-N 3.07Å; L182-Q185 WeakPolarHBondContact O-CB 3.29Å; L182-Q185 PolarHBondContact O-N 3.24Å; F183-Q185 VanDerWaalsContact C-N 3.34Å; F183-Q185 PolarHBondContact O-N 3.23Å; Q185-L187 VanDerWaalsContact C-N 3.27Å; Q185-L187 PolarHBondContact O-N 2.87Å; Q185-D188 PolarHBondContact O-N 3.08Å; Q185-D188 VanDerWaalsContact O-N 3.16Å; Q185-D189 WeakPolarHBondContact O-CB 3.15Å; Q185-D189 VanDerWaalsContact O-CG 3.28Å; Q185-D189 PolarHBondContact O-N 3.35Å
186V97.4Very high95.9Very high7 Ų765.1 Ų65.14%0.04233%0.334CS..Hα-helixtrans-58.1-40.3175.3169.40000111.9S170 A172 L182 F183 L184 A190 L198 V200S170-V186 VanDerWaalsContact CB-CG1 3.47Å; S170-V186 WeakPolarHBondContact OG-CG1 3.36Å; A172-V186 HydrophobicContact CB-CG2 3.87Å; L182-V186 WeakPolarHBondContact O-CG2 3.44Å; L182-V186 PolarHBondContact O-N 2.86Å; L182-V186 VanDerWaalsContact O-N 3.08Å; F183-V186 WeakPolarHBondContact O-CB 3.47Å; F183-V186 PolarHBondContact O-N 3.18Å; L184-V186 VanDerWaalsContact C-N 3.33Å; L184-V186 PolarHBondContact O-N 3.39Å; V186-A190 WeakPolarHBondContact O-CB 3.32Å; V186-A190 PolarHBondContact O-N 3.17Å; V186-A190 VanDerWaalsContact O-N 3.12Å; V186-L198 HydrophobicContact CG1-CD2 4.23Å; V186-V200 HydrophobicContact CG1-CG2 3.78Å
187L97.9Very high96.2Very high0 Ų058.3 Ų58.30%030%0.304CS..Hα-helixtrans-69.3-39.8176.9-57.6-175.3000112.4L5 F183 L184 Q185 A190 G191 L198 V200 I236 Y241L5-L187 HydrophobicContact CD1-CD2 3.72Å; L5-L187 HydrophobicContact CD2-CD1 4.34Å; L5-L187 HydrophobicContact CD2-CD2 3.84Å; L5-L187 HydrophobicContact CG-CD2 4.41Å; F183-L187 HydrophobicContact CD1-CD1 4.14Å; F183-L187 HydrophobicContact CD1-CG 4.21Å; F183-L187 HydrophobicContact CE1-CD1 4.06Å; F183-L187 HydrophobicContact CE1-CD2 4.09Å; F183-L187 HydrophobicContact CE1-CG 4.18Å; F183-L187 WeakPolarHBondContact O-CG 3.26Å; F183-L187 PolarHBondContact O-N 3.43Å; L184-L187 HydrophobicContact CD2-CD1 4.17Å; L184-L187 WeakPolarHBondContact O-CB 3.42Å; L184-L187 PolarHBondContact O-N 2.53Å; Q185-L187 VanDerWaalsContact C-N 3.27Å; Q185-L187 PolarHBondContact O-N 2.87Å; L187-A190 PolarHBondContact O-N 2.8Å; L187-G191 PolarHBondContact O-N 3.26Å; L187-L198 HydrophobicContact CD2-CD2 3.74Å; L187-V200 HydrophobicContact CD2-CG2 4.46Å; L187-I236 HydrophobicContact CD1-CB 4.49Å; L187-I236 HydrophobicContact CD1-CG1 3.71Å; L187-Y241 HydrophobicContact CB-CD2 4.3Å; L187-Y241 HydrophobicContact CB-CE2 3.78Å; L187-Y241 HydrophobicContact CD1-CD2 4.29Å; L187-Y241 HydrophobicContact CD2-CE2 4.33Å; L187-Y241 HydrophobicContact CG-CE2 4.44Å; L187-Y241 PolarHBondContact O-OH 2.79Å; L187-Y241 VanDerWaalsContact O-OH 3.13Å
188D97Very high96.7Very high55 Ų5550.1 Ų50.129%0.29427%0.266SS..Hα-helixtrans-65.5-44.9178.2-68.2-25.6000109.8L184 Q185 A190 G191 H192 R239L184-D188 VanDerWaalsContact O-CG 3.27Å; L184-D188 PolarHBondContact O-N 3.46Å; Q185-D188 PolarHBondContact O-N 3.08Å; Q185-D188 VanDerWaalsContact O-N 3.16Å; D188-A190 PolarHBondContact O-N 3.29Å; D188-G191 WeakPolarHBondContact O-CA 3.38Å; D188-G191 PolarHBondContact O-N 3.49Å; D188-G191 VanDerWaalsContact O-N 3.08Å; D188-H192 PolarHBondContact O-N 3.05Å; D188-H192 PolarHBondContact O-ND1 3.19Å; D188-R239 WeakPolarHBondContact OD1-CD 3.41Å; D188-R239 IonicContact OD1-CZ 3.71Å; D188-R239 IonicContact OD1-NE 2.91Å; D188-R239 PolarHBondContact OD1-NE 3.24Å; D188-R239 IonicContact OD1-NH2 2.87Å; D188-R239 IonicContact OD2-CZ 2.95Å; D188-R239 IonicContact OD2-NE 2.77Å; D188-R239 PolarHBondContact OD2-NE 2.85Å; D188-R239 IonicContact OD2-NH2 3.47Å; D188-R239 PolarHBondContact OD2-NH2 3.27Å
189D96.4Very high96.8Very high71 Ų7149.5 Ų49.538%0.3826%0.263SS..Hα-helixtrans-60.1-43.6176.3-70.2-17.2000112.4Q185 G191 H192 R193Q185-D189 WeakPolarHBondContact O-CB 3.15Å; Q185-D189 VanDerWaalsContact O-CG 3.28Å; Q185-D189 PolarHBondContact O-N 3.35Å; D189-G191 VanDerWaalsContact C-N 3.3Å; D189-G191 PolarHBondContact O-N 3.01Å; D189-H192 PolarHBondContact O-N 3.43Å; D189-R193 PolarHBondContact O-N 3.48Å; D189-R193 VanDerWaalsContact O-N 3.14Å; D189-R193 PolarHBondContact O-NH1 3.14Å
190A96.2Very high96.9Very high0 Ų047.5 Ų47.50%025%0.249CC..Hα-helixtrans-64.4-35.7174.400000112.5V186 L187 D188 R193 G194 D195 L198 Y241V186-A190 WeakPolarHBondContact O-CB 3.32Å; V186-A190 PolarHBondContact O-N 3.17Å; V186-A190 VanDerWaalsContact O-N 3.12Å; L187-A190 PolarHBondContact O-N 2.8Å; D188-A190 PolarHBondContact O-N 3.29Å; A190-R193 VanDerWaalsContact CA-NH2 3.25Å; A190-R193 PolarHBondContact O-N 2.76Å; A190-G194 PolarHBondContact O-N 2.95Å; A190-D195 HydrophobicContact CB-CB 4.25Å; A190-D195 PolarHBondContact O-N 2.94Å; A190-L198 HydrophobicContact CB-CB 4.49Å; A190-L198 HydrophobicContact CB-CD1 4Å; A190-L198 HydrophobicContact CB-CD2 3.62Å; A190-L198 HydrophobicContact CB-CG 4.25Å; A190-Y241 WeakPolarHBondContact CB-OH 3.1Å
191G94.9Very high96.9Very high27 Ų2745.2 Ų45.228%0.27824%0.238SC..Hα-helixtrans-61.8-43.4172.100000113.8L187 D188 D189 R193 G194L187-G191 PolarHBondContact O-N 3.26Å; D188-G191 WeakPolarHBondContact O-CA 3.38Å; D188-G191 PolarHBondContact O-N 3.49Å; D188-G191 VanDerWaalsContact O-N 3.08Å; D189-G191 VanDerWaalsContact C-N 3.3Å; D189-G191 PolarHBondContact O-N 3.01Å; G191-R193 VanDerWaalsContact C-N 3.29Å; G191-R193 PolarHBondContact O-N 3.5Å; G191-G194 PolarHBondContact O-N 3.17Å
192H95Very high97Very high161 Ų16140.9 Ų40.975%0.74521%0.208SC*.Hα-helixtrans-64.6-33.6176.9-68.7105.6000112.5D188 D189 G194D188-H192 PolarHBondContact O-N 3.05Å; D188-H192 PolarHBondContact O-ND1 3.19Å; D189-H192 PolarHBondContact O-N 3.43Å; H192-G194 PolarHBondContact O-N 3Å
193R94.3Very high97Very high110 Ų11039.9 Ų39.942%0.41520%0.202SC..Hα-helixtrans-71.8-16.1172.3-68.5-173.2-61.4-92.54.2113.8D189 A190 G191 D195D189-R193 PolarHBondContact O-N 3.48Å; D189-R193 VanDerWaalsContact O-N 3.14Å; D189-R193 PolarHBondContact O-NH1 3.14Å; A190-R193 VanDerWaalsContact CA-NH2 3.25Å; A190-R193 PolarHBondContact O-N 2.76Å; G191-R193 VanDerWaalsContact C-N 3.29Å; G191-R193 PolarHBondContact O-N 3.5Å; R193-D195 IonicContact CZ-OD2 3.6Å; R193-D195 IonicContact NE-OD2 2.77Å; R193-D195 PolarHBondContact NE-OD2 3.31Å; R193-D195 IonicContact NH2-OD2 3.04Å; R193-D195 PolarHBondContact NH2-OD2 3.45Å
194G94.8Very high97Very high48 Ų4839.9 Ų39.950%0.49520%0.202SC..THydrogen-bonded Turntrans8119.1-176.500000114A190 G191 H192 R196A190-G194 PolarHBondContact O-N 2.95Å; G191-G194 PolarHBondContact O-N 3.17Å; H192-G194 PolarHBondContact O-N 3Å; G194-R196 PolarHBondContact O-N 2.89Å
195D95.5Very high97.1Very high19 Ų1938.7 Ų38.710%0.10220%0.196CC..  trans-63.1119.8179.9-63.5-30.8000110.1R3 Q167 A190 R193R3-D195 WeakPolarHBondContact CD-O 3.33Å; Q167-D195 HydrophobicContact CB-CB 4.42Å; A190-D195 HydrophobicContact CB-CB 4.25Å; A190-D195 PolarHBondContact O-N 2.94Å; R193-D195 IonicContact CZ-OD2 3.6Å; R193-D195 IonicContact NE-OD2 2.77Å; R193-D195 PolarHBondContact NE-OD2 3.31Å; R193-D195 IonicContact NH2-OD2 3.04Å; R193-D195 PolarHBondContact NH2-OD2 3.45Å
196R96.4Very high97.1Very high163 Ų16337.8 Ų37.862%0.61519%0.19SC*.SBendtrans-84.4-17.4174.5-57.1-159-60.8178-1.4113.1R3 L4 Q167 G194R3-R196 CarbonylContact C-O 3.57Å; R3-R196 WeakPolarHBondContact CA-O 3.38Å; L4-R196 PolarHBondContact N-O 3.24Å; Q167-R196 VanDerWaalsContact OE1-CB 3.23Å; G194-R196 PolarHBondContact O-N 2.89Å
197S97.4Very high97.2Very high16 Ų1640.2 Ų40.211%0.11220%0.202CC..EExtended strand (participates in β ladder)trans-140.1132.6170.756.80000110.2L4 T166 Q167 G168L4-S197 CarbonylContact O-C 3.52Å; L4-S197 VanDerWaalsContact O-CA 3.31Å; L4-S197 WeakPolarHBondContact O-CA 3.32Å; T166-S197 WeakPolarHBondContact CA-OG 3.22Å; Q167-S197 PolarHBondContact N-O 2.89Å; Q167-S197 VanDerWaalsContact N-O 3.08Å; Q167-S197 PolarHBondContact N-OG 3.35Å; G168-S197 PolarHBondContact N-O 2.63Å
198L98.1Very high97.1Very high0 Ų042.1 Ų42.10%021%0.213CC..EExtended strand (participates in β ladder)trans-129134.4179.9177.168.1000109.4L4 L5 I6 G168 V186 L187 A190 V200 Y241L4-L198 PolarHBondContact O-N 3Å; L5-L198 HydrophobicContact CD1-CB 4.4Å; L5-L198 HydrophobicContact CD1-CD2 4.08Å; L5-L198 HydrophobicContact CD1-CG 4.32Å; I6-L198 PolarHBondContact N-O 2.74Å; G168-L198 WeakPolarHBondContact O-CA 3.33Å; V186-L198 HydrophobicContact CG1-CD2 4.23Å; L187-L198 HydrophobicContact CD2-CD2 3.74Å; A190-L198 HydrophobicContact CB-CB 4.49Å; A190-L198 HydrophobicContact CB-CD1 4Å; A190-L198 HydrophobicContact CB-CD2 3.62Å; A190-L198 HydrophobicContact CB-CG 4.25Å; L198-V200 HydrophobicContact CD2-CG2 3.77Å; L198-V200 HydrophobicContact CG-CG2 4.05Å; L198-Y241 HydrophobicContact CB-CE1 4.4Å
199E98.6Very high97.2Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-97.9133.3159.2179.3-178.7-164.100110.2I6 N8 R150 T166 G168 F169 S170 Y246I6-E199 HydrophobicContact CB-CB 4.44Å; I6-E199 HydrophobicContact CG2-CG 4.49Å; I6-E199 CarbonylContact O-C 3.4Å; I6-E199 VanDerWaalsContact O-CA 3.32Å; I6-E199 WeakPolarHBondContact O-CA 3.47Å; N8-E199 HydrophobicContact CB-CG 4.22Å; N8-E199 WeakPolarHBondContact CB-OE1 3.1Å; R150-E199 VanDerWaalsContact CG-OE2 3.27Å; R150-E199 WeakPolarHBondContact CG-OE2 3.13Å; R150-E199 IonicContact CZ-OE1 3.93Å; R150-E199 VanDerWaalsContact NE-CD 3.26Å; R150-E199 IonicContact NE-OE1 3.56Å; R150-E199 PolarHBondContact NE-OE1 3.03Å; R150-E199 IonicContact NE-OE2 2.99Å; R150-E199 PolarHBondContact NE-OE2 3.43Å; R150-E199 IonicContact NH2-OE1 2.72Å; R150-E199 PolarHBondContact NH2-OE1 3.17Å; T166-E199 HydrophobicContact CG2-CB 4.12Å; G168-E199 PolarHBondContact O-N 2.76Å; F169-E199 CarbonylContact C-O 3.51Å; F169-E199 WeakPolarHBondContact CA-O 3.49Å; F169-E199 HydrophobicContact CD2-CB 4.15Å; F169-E199 HydrophobicContact CD2-CG 4.08Å; F169-E199 HydrophobicContact CE2-CG 4.44Å; S170-E199 PolarHBondContact N-O 3.43Å; E199-Y246 VanDerWaalsContact CD-OH 3.31Å; E199-Y246 HydrophobicContact CG-CE2 4.44Å; E199-Y246 PolarHBondContact OE2-OH 3.46Å
200V98.6Very high97.2Very high0 Ų043.3 Ų43.30%022%0.221CC..EExtended strand (participates in β ladder)trans-113.7119.8165.2-178.10000108L5 I6 N8 F173 F183 V186 L187 L198L5-V200 HydrophobicContact CD1-CG2 3.81Å; I6-V200 PolarHBondContact O-N 3.26Å; N8-V200 PolarHBondContact N-O 3.47Å; F173-V200 HydrophobicContact CB-CG1 3.97Å; F183-V200 HydrophobicContact CD2-CG1 4.32Å; F183-V200 HydrophobicContact CE2-CB 4.28Å; F183-V200 HydrophobicContact CE2-CG1 3.69Å; F183-V200 HydrophobicContact CZ-CB 4.21Å; F183-V200 HydrophobicContact CZ-CG1 4.09Å; F183-V200 HydrophobicContact CZ-CG2 4.33Å; V186-V200 HydrophobicContact CG1-CG2 3.78Å; L187-V200 HydrophobicContact CD2-CG2 4.46Å; L198-V200 HydrophobicContact CD2-CG2 3.77Å; L198-V200 HydrophobicContact CG-CG2 4.05Å
201M98.1Very high97.2Very high8 Ų843.4 Ų43.44%0.03922%0.221CC..EExtended strand (participates in β ladder)trans-75.8143.7173.7180-166.468.700110.4D10 H127 F169 S170 Y174D10-M201 WeakPolarHBondContact OD2-CG 3.46Å; H127-M201 PolarHBondContact CE1-SD 3.29Å; H127-M201 PolarHBondContact NE2-SD 3.49Å; F169-M201 HydrophobicContact CE2-CB 3.99Å; F169-M201 HydrophobicContact CZ-CB 4.21Å; S170-M201 PolarHBondContact O-N 3.01Å; Y174-M201 HydrophobicContact CD2-CE 4.45Å
202C98.7Very high97.3Very high0 Ų049.7 Ų49.70%024%0.237CC..EExtended strand (participates in β ladder)trans-150.3170.7172.962.20000111.1N8 A9 D10 F173 E223 L227N8-C202 PolarHBondContact O-N 3.04Å; N8-C202 PolarHBondContact O-SG 3.45Å; A9-C202 CarbonylContact C-O 3.31Å; A9-C202 WeakPolarHBondContact CA-O 3.41Å; A9-C202 VanDerWaalsContact CA-SG 3.57Å; D10-C202 PolarHBondContact N-O 2.84Å; F173-C202 HydrophobicContact CD1-CB 3.94Å; F173-C202 HydrophobicContact CE1-CB 4.22Å; C202-E223 WeakPolarHBondContact CA-OE2 3.38Å; C202-E223 WeakPolarHBondContact CB-OE2 3.42Å; C202-L227 HydrophobicContact CB-CD1 3.75Å
203H98.7Very high97.2Very high17 Ų1749.5 Ų49.58%0.07924%0.236CC..  trans-138.743.6-178.1-55.187.7000113.4D11 Y174 A205 Y216 R220 E223D11-H203 IonicContact OD2-CD2 2.85Å; Y174-H203 AromaticContact CD2-CE1 3.81Å; Y174-H203 AromaticContact CD2-ND1 3.84Å; H203-A205 PolarHBondContact O-N 2.96Å; H203-Y216 HydrophobicContact CB-CD1 4.38Å; H203-Y216 HydrophobicContact CB-CE1 4.03Å; H203-Y216 AromaticContact ND1-CE1 3.98Å; H203-R220 HydrophobicContact CB-CG 4.18Å; H203-R220 VanDerWaalsContact O-CB 3.24Å; H203-R220 WeakPolarHBondContact O-CB 3.17Å; H203-R220 WeakPolarHBondContact O-CD 3.4Å; H203-R220 WeakPolarHBondContact O-CG 3.32Å; H203-E223 PolarHBondContact N-OE2 2.92Å; H203-E223 IonicContact ND1-OE1 3.37Å
204P98.7Very high97.1Very high0 Ų046.3 Ų46.30%023%0.23CC..  trans-57.4132.5-17824.9-34.4000111.8A9 Q18 I22 A25 V31 L224 L227A9-P204 HydrophobicContact CB-CG 3.93Å; Q18-P204 PolarHBondContact NE2-O 3.48Å; I22-P204 HydrophobicContact CG1-CG 4.44Å; A25-P204 HydrophobicContact CB-CB 3.99Å; A25-P204 HydrophobicContact CB-CG 3.85Å; V31-P204 HydrophobicContact CG2-CG 4.3Å; P204-L224 HydrophobicContact CB-CB 4.06Å; P204-L224 HydrophobicContact CB-CD1 4.1Å; P204-L227 HydrophobicContact CB-CD1 3.99Å; P204-L227 HydrophobicContact CG-CD1 3.83Å
205A98.7Very high97Very high0 Ų049.1 Ų49.10%025%0.249CC..  trans-153.3148.4-177.700000112.2H203 R220 L221H203-A205 PolarHBondContact O-N 2.96Å; A205-R220 HydrophobicContact CB-CB 3.65Å; A205-R220 HydrophobicContact CB-CG 4.3Å; A205-R220 PolarHBondContact N-O 3.34Å; A205-R220 VanDerWaalsContact N-O 3.16Å; A205-L221 WeakPolarHBondContact O-CD2 3.46Å
206F98.6Very high97Very high91 Ų9148.6 Ų48.640%0.39925%0.246SC..  trans-82150.6153.6-66-65.7000110G17 E24 D208 L221 L224G17-F206 CarbonylContact C-O 3.5Å; G17-F206 VanDerWaalsContact C-O 3.23Å; G17-F206 VanDerWaalsContact CA-O 3.24Å; G17-F206 WeakPolarHBondContact CA-O 3.43Å; G17-F206 PolarHBondContact O-N 3.42Å; E24-F206 HydrophobicContact CB-CE2 4.12Å; E24-F206 HydrophobicContact CB-CZ 4.38Å; E24-F206 HydrophobicContact CG-CE2 4.4Å; E24-F206 HydrophobicContact CG-CZ 4.16Å; F206-D208 PolarHBondContact O-N 3.09Å; F206-L221 HydrophobicContact CD1-CD2 4.39Å; F206-L224 HydrophobicContact CD1-CD2 3.87Å; F206-L224 HydrophobicContact CD2-CD2 4.42Å; F206-L224 HydrophobicContact CE1-CD2 3.5Å; F206-L224 HydrophobicContact CE2-CD2 4.12Å; F206-L224 HydrophobicContact CG-CD2 4.32Å; F206-L224 HydrophobicContact CZ-CD2 3.65Å
207I97.9Very high97Very high58 Ų5841.3 Ų41.330%0.29722%0.219SC..  trans-82.1122.7-178.6-51.9-54.2000110.5I211 R212 C217 L221I207-I211 HydrophobicContact CD1-CG2 3.62Å; I207-R212 HydrophobicContact CG2-CB 4.48Å; I207-C217 VanDerWaalsContact CD1-O 3.3Å; I207-C217 WeakPolarHBondContact CD1-O 3.43Å; I207-L221 HydrophobicContact CD1-CD1 4.15Å; I207-L221 HydrophobicContact CD1-CG 3.89Å; I207-L221 HydrophobicContact CG1-CD1 3.54Å; I207-L221 HydrophobicContact CG1-CD2 4.1Å; I207-L221 HydrophobicContact CG1-CG 3.69Å
208D97.6Very high96.9Very high40 Ų4047.6 Ų47.621%0.21425%0.245CC..  trans-123.3-178.2164.867.915.3000111S15 K16 G17 F206 T210 I211 R212S15-D208 WeakPolarHBondContact CB-OD2 3.41Å; S15-D208 VanDerWaalsContact OG-CG 3.3Å; S15-D208 PolarHBondContact OG-OD1 3.14Å; S15-D208 PolarHBondContact OG-OD2 2.92Å; K16-D208 PolarHBondContact N-OD2 3.13Å; G17-D208 WeakPolarHBondContact CA-OD2 3.22Å; G17-D208 PolarHBondContact N-OD2 3.27Å; F206-D208 PolarHBondContact O-N 3.09Å; D208-T210 PolarHBondContact O-N 2.99Å; D208-T210 WeakPolarHBondContact OD1-CB 3.5Å; D208-T210 PolarHBondContact OD1-N 2.86Å; D208-I211 PolarHBondContact O-N 3.38Å; D208-I211 WeakPolarHBondContact OD1-CG1 3.1Å; D208-I211 PolarHBondContact OD1-N 3.07Å; D208-R212 WeakPolarHBondContact O-CB 3.15Å; D208-R212 PolarHBondContact O-N 2.89Å
209N97.5Very high96.9Very high108 Ų10847.9 Ų47.958%0.57825%0.247SC*.THydrogen-bonded Turntrans-64.4-22.1-178.3-81.5-40.3000114R212 Q213N209-R212 PolarHBondContact OD1-NE 3.06Å; N209-R212 PolarHBondContact OD1-NH2 2.82Å; N209-R212 VanDerWaalsContact OD1-NH2 3.07Å; N209-Q213 WeakPolarHBondContact O-CG 3.01Å; N209-Q213 PolarHBondContact O-NE2 2.89Å; N209-Q213 VanDerWaalsContact O-NE2 3.08Å
210T96.4Very high96.9Very high44 Ų4448.4 Ų48.427%0.2725%0.249SC..THydrogen-bonded Turntrans-78-48.8174.7-58.20000109.5L14 D208 R212 Q213L14-T210 HydrophobicContact CD1-CG2 4.42Å; L14-T210 HydrophobicContact CG-CG2 4.39Å; D208-T210 PolarHBondContact O-N 2.99Å; D208-T210 WeakPolarHBondContact OD1-CB 3.5Å; D208-T210 PolarHBondContact OD1-N 2.86Å; T210-R212 VanDerWaalsContact C-N 3.27Å; T210-R212 PolarHBondContact O-N 2.86Å; T210-Q213 WeakPolarHBondContact O-CB 3.44Å; T210-Q213 PolarHBondContact O-N 2.87Å; T210-Q213 VanDerWaalsContact O-N 3.07Å
211I96.7Very high96.8Very high1 Ų151.2 Ų51.21%0.00526%0.264CS..G310 helixtrans-61.8-35.5176.8-61.9-55.8000111.9L14 Q18 I207 D208 Q213 S214 C217L14-I211 HydrophobicContact CD2-CD1 3.69Å; L14-I211 HydrophobicContact CG-CD1 4.45Å; Q18-I211 HydrophobicContact CB-CD1 4.2Å; I207-I211 HydrophobicContact CD1-CG2 3.62Å; D208-I211 PolarHBondContact O-N 3.38Å; D208-I211 WeakPolarHBondContact OD1-CG1 3.1Å; D208-I211 PolarHBondContact OD1-N 3.07Å; I211-Q213 PolarHBondContact O-N 3.28Å; I211-S214 VanDerWaalsContact O-CB 3.26Å; I211-S214 WeakPolarHBondContact O-CB 3.47Å; I211-S214 PolarHBondContact O-N 3.07Å; I211-C217 HydrophobicContact CG2-CB 4.38Å; I211-C217 WeakPolarHBondContact O-CB 3.43Å
212R96.4Very high96.8Very high160 Ų16053.7 Ų53.760%0.60428%0.279SS*.G310 helixtrans-59.8-17.3176.2-167.8169.662.382.90.2114.1I207 D208 N209 T210I207-R212 HydrophobicContact CG2-CB 4.48Å; D208-R212 WeakPolarHBondContact O-CB 3.15Å; D208-R212 PolarHBondContact O-N 2.89Å; N209-R212 PolarHBondContact OD1-NE 3.06Å; N209-R212 PolarHBondContact OD1-NH2 2.82Å; N209-R212 VanDerWaalsContact OD1-NH2 3.07Å; T210-R212 VanDerWaalsContact C-N 3.27Å; T210-R212 PolarHBondContact O-N 2.86Å
213Q94.2Very high96.8Very high157 Ų15753.7 Ų53.773%0.73428%0.279SS*.G310 helixtrans-91.6-12.8175.5-62.1171.534.400113N209 T210 I211N209-Q213 WeakPolarHBondContact O-CG 3.01Å; N209-Q213 PolarHBondContact O-NE2 2.89Å; N209-Q213 VanDerWaalsContact O-NE2 3.08Å; T210-Q213 WeakPolarHBondContact O-CB 3.44Å; T210-Q213 PolarHBondContact O-N 2.87Å; T210-Q213 VanDerWaalsContact O-N 3.07Å; I211-Q213 PolarHBondContact O-N 3.28Å
214S92.6Very high96.8Very high42 Ų4253.2 Ų53.229%0.29428%0.277SS..SBendtrans-74.3140.3174.8-176.30000110.4I211 Y216 C217I211-S214 VanDerWaalsContact O-CB 3.26Å; I211-S214 WeakPolarHBondContact O-CB 3.47Å; I211-S214 PolarHBondContact O-N 3.07Å; S214-Y216 PolarHBondContact O-N 3.06Å; S214-Y216 PolarHBondContact OG-N 3.03Å; S214-Y216 PolarHBondContact OG-O 3.45Å; S214-C217 WeakPolarHBondContact O-CB 3.26Å
215A91.5Very high96.7Very high107 Ų10758.6 Ų58.688%0.88431%0.306SS*.SBendtrans-61-26167.300000111.5
216Y95.4Very high96.7Very high9 Ų959.3 Ų59.34%0.03531%0.31CS..SBendtrans-105.369.6177.5-161.9-113000110Y174 G175 I178 H203 S214 P219 R220 E223Y174-Y216 WeakPolarHBondContact CA-OH 3.37Å; Y174-Y216 HydrophobicContact CD1-CE2 4.3Å; Y174-Y216 HydrophobicContact CD2-CD1 4.18Å; Y174-Y216 HydrophobicContact CD2-CD2 4.32Å; Y174-Y216 AromaticContact CD2-CE1 3.6Å; Y174-Y216 HydrophobicContact CD2-CE1 3.6Å; Y174-Y216 AromaticContact CD2-CE2 3.76Å; Y174-Y216 HydrophobicContact CD2-CE2 3.76Å; Y174-Y216 HydrophobicContact CD2-CG 4.49Å; Y174-Y216 AromaticContact CD2-CZ 3.33Å; Y174-Y216 WeakPolarHBondContact CD2-OH 3.41Å; Y174-Y216 HydrophobicContact CE1-CD2 4.17Å; Y174-Y216 HydrophobicContact CE1-CE2 4.08Å; Y174-Y216 AromaticContact CE2-CD1 3.5Å; Y174-Y216 HydrophobicContact CE2-CD1 3.5Å; Y174-Y216 VanDerWaalsContact CE2-CD1 3.5Å; Y174-Y216 AromaticContact CE2-CD2 3.61Å; Y174-Y216 HydrophobicContact CE2-CD2 3.61Å; Y174-Y216 AromaticContact CE2-CE1 3.41Å; Y174-Y216 HydrophobicContact CE2-CE1 3.41Å; Y174-Y216 VanDerWaalsContact CE2-CE1 3.41Å; Y174-Y216 AromaticContact CE2-CE2 3.53Å; Y174-Y216 HydrophobicContact CE2-CE2 3.53Å; Y174-Y216 AromaticContact CE2-CG 3.57Å; Y174-Y216 HydrophobicContact CE2-CG 3.57Å; Y174-Y216 AromaticContact CE2-CZ 3.4Å; Y174-Y216 HydrophobicContact CG-CE2 4.15Å; Y174-Y216 AromaticContact CG-CZ 3.97Å; Y174-Y216 AromaticContact CZ-CD2 3.51Å; Y174-Y216 AromaticContact CZ-CE2 3.69Å; Y174-Y216 AromaticContact CZ-CG 3.74Å; G175-Y216 PolarHBondContact N-OH 2.64Å; I178-Y216 WeakPolarHBondContact CD1-OH 3.42Å; H203-Y216 HydrophobicContact CB-CD1 4.38Å; H203-Y216 HydrophobicContact CB-CE1 4.03Å; H203-Y216 AromaticContact ND1-CE1 3.98Å; S214-Y216 PolarHBondContact O-N 3.06Å; S214-Y216 PolarHBondContact OG-N 3.03Å; S214-Y216 PolarHBondContact OG-O 3.45Å; Y216-P219 HydrophobicContact CD2-CB 4.06Å; Y216-P219 HydrophobicContact CD2-CG 4.01Å; Y216-P219 HydrophobicContact CE1-CB 4.34Å; Y216-P219 HydrophobicContact CE2-CB 3.47Å; Y216-P219 VanDerWaalsContact CE2-CB 3.47Å; Y216-P219 HydrophobicContact CE2-CG 3.8Å; Y216-R220 HydrophobicContact CD1-CG 3.79Å; Y216-R220 HydrophobicContact CE1-CG 4.03Å; Y216-R220 WeakPolarHBondContact O-CD 3.28Å; Y216-R220 WeakPolarHBondContact O-CG 3.16Å; Y216-R220 PolarHBondContact O-NE 3.06Å; Y216-E223 WeakPolarHBondContact CE1-OE1 3.5Å; Y216-E223 VanDerWaalsContact CZ-OE1 3.29Å; Y216-E223 PolarHBondContact OH-OE1 3.37Å
217C95.9Very high96.7Very high9 Ų955 Ų556%0.06129%0.291CS..  trans-95.3-75.1-174.9173.50000111.4I207 I211 S214 R220I207-C217 VanDerWaalsContact CD1-O 3.3Å; I207-C217 WeakPolarHBondContact CD1-O 3.43Å; I211-C217 HydrophobicContact CG2-CB 4.38Å; I211-C217 WeakPolarHBondContact O-CB 3.43Å; S214-C217 WeakPolarHBondContact O-CB 3.26Å; C217-R220 WeakPolarHBondContact O-CB 3.37Å; C217-R220 PolarHBondContact O-N 3.34Å
218F96.3Very high96.7Very high149 Ų14954 Ų5465%0.65429%0.288SS*.THydrogen-bonded Turntrans-64.8-36.3-173.7-65.7-67.8000115R220 L221F218-R220 PolarHBondContact O-N 2.91Å; F218-R220 VanDerWaalsContact O-N 3.08Å; F218-L221 WeakPolarHBondContact O-CB 3.5Å; F218-L221 PolarHBondContact O-N 2.93Å
219P97.6Very high96.7Very high6 Ų653.4 Ų53.44%0.03929%0.287CS..Hα-helixtrans-57.1-26.1176.4-28.736.9000113.9G175 I178 Y216 L221 T222 E223G175-P219 WeakPolarHBondContact O-CB 3.43Å; I178-P219 HydrophobicContact CD1-CB 3.8Å; Y216-P219 HydrophobicContact CD2-CB 4.06Å; Y216-P219 HydrophobicContact CD2-CG 4.01Å; Y216-P219 HydrophobicContact CE1-CB 4.34Å; Y216-P219 HydrophobicContact CE2-CB 3.47Å; Y216-P219 VanDerWaalsContact CE2-CB 3.47Å; Y216-P219 HydrophobicContact CE2-CG 3.8Å; P219-L221 PolarHBondContact O-N 2.99Å; P219-T222 WeakPolarHBondContact O-CA 3.4Å; P219-T222 WeakPolarHBondContact O-CB 3.32Å; P219-T222 PolarHBondContact O-N 3.01Å; P219-E223 WeakPolarHBondContact O-CG 3.33Å; P219-E223 PolarHBondContact O-N 2.83Å
220R98.3Very high96.5Very high10 Ų1052.6 Ų52.64%0.03830%0.295CS..Hα-helixtrans-63.3-27.6176.2-59.7-168.7-178.2-124.2-9.1113.7D11 Q18 H203 A205 Y216 C217 F218 L224D11-R220 IonicContact OD2-CZ 3.78Å; D11-R220 IonicContact OD2-NH1 2.77Å; D11-R220 PolarHBondContact OD2-NH1 2.67Å; D11-R220 IonicContact OD2-NH2 3.35Å; D11-R220 PolarHBondContact OD2-NH2 2.94Å; Q18-R220 VanDerWaalsContact CD-NH1 3.25Å; H203-R220 HydrophobicContact CB-CG 4.18Å; H203-R220 VanDerWaalsContact O-CB 3.24Å; H203-R220 WeakPolarHBondContact O-CB 3.17Å; H203-R220 WeakPolarHBondContact O-CD 3.4Å; H203-R220 WeakPolarHBondContact O-CG 3.32Å; A205-R220 HydrophobicContact CB-CB 3.65Å; A205-R220 HydrophobicContact CB-CG 4.3Å; A205-R220 PolarHBondContact N-O 3.34Å; A205-R220 VanDerWaalsContact N-O 3.16Å; Y216-R220 HydrophobicContact CD1-CG 3.79Å; Y216-R220 HydrophobicContact CE1-CG 4.03Å; Y216-R220 WeakPolarHBondContact O-CD 3.28Å; Y216-R220 WeakPolarHBondContact O-CG 3.16Å; Y216-R220 PolarHBondContact O-NE 3.06Å; C217-R220 WeakPolarHBondContact O-CB 3.37Å; C217-R220 PolarHBondContact O-N 3.34Å; F218-R220 PolarHBondContact O-N 2.91Å; F218-R220 VanDerWaalsContact O-N 3.08Å; R220-L224 PolarHBondContact O-N 3.14Å; R220-L224 VanDerWaalsContact O-N 3.16Å
221L97.6Very high96.5Very high60 Ų6053.7 Ų53.731%0.31431%0.305SS..Hα-helixtrans-71.4-44.2170.9-72.7171.7000110.7A205 F206 I207 F218 P219 E223 L224 D225A205-L221 WeakPolarHBondContact O-CD2 3.46Å; F206-L221 HydrophobicContact CD1-CD2 4.39Å; I207-L221 HydrophobicContact CD1-CD1 4.15Å; I207-L221 HydrophobicContact CD1-CG 3.89Å; I207-L221 HydrophobicContact CG1-CD1 3.54Å; I207-L221 HydrophobicContact CG1-CD2 4.1Å; I207-L221 HydrophobicContact CG1-CG 3.69Å; F218-L221 WeakPolarHBondContact O-CB 3.5Å; F218-L221 PolarHBondContact O-N 2.93Å; P219-L221 PolarHBondContact O-N 2.99Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 2.89Å; L221-L224 WeakPolarHBondContact O-CB 3.41Å; L221-L224 PolarHBondContact O-N 3.46Å; L221-L224 VanDerWaalsContact O-N 3.09Å; L221-D225 PolarHBondContact O-N 3.29Å
222T97.5Very high96.6Very high60 Ų6053.7 Ų53.737%0.36831%0.305SS..Hα-helixtrans-60.5-41.1176.1-500000111.2I178 P219 L224 D225 V226I178-T222 HydrophobicContact CB-CG2 4.05Å; I178-T222 HydrophobicContact CG2-CG2 4.24Å; P219-T222 WeakPolarHBondContact O-CA 3.4Å; P219-T222 WeakPolarHBondContact O-CB 3.32Å; P219-T222 PolarHBondContact O-N 3.01Å; T222-L224 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 3.29Å; T222-D225 PolarHBondContact O-N 3.36Å; T222-V226 WeakPolarHBondContact O-CG2 3.45Å; T222-V226 PolarHBondContact O-N 3.01Å
223E98.5Very high96.4Very high0 Ų051.9 Ų51.90%030%0.301CS..Hα-helixtrans-58.6-46.4172.3-69.7-163-134.100111.7F173 I178 C202 H203 Y216 P219 L221 D225 V226 L227F173-E223 HydrophobicContact CD1-CG 4.28Å; F173-E223 HydrophobicContact CE1-CB 4.02Å; F173-E223 HydrophobicContact CE1-CG 3.66Å; F173-E223 HydrophobicContact CZ-CG 4.3Å; I178-E223 HydrophobicContact CD1-CG 3.32Å; I178-E223 HydrophobicContact CG1-CG 4.44Å; I178-E223 HydrophobicContact CG2-CG 3.85Å; C202-E223 WeakPolarHBondContact CA-OE2 3.38Å; C202-E223 WeakPolarHBondContact CB-OE2 3.42Å; H203-E223 PolarHBondContact N-OE2 2.92Å; H203-E223 IonicContact ND1-OE1 3.37Å; Y216-E223 WeakPolarHBondContact CE1-OE1 3.5Å; Y216-E223 VanDerWaalsContact CZ-OE1 3.29Å; Y216-E223 PolarHBondContact OH-OE1 3.37Å; P219-E223 WeakPolarHBondContact O-CG 3.33Å; P219-E223 PolarHBondContact O-N 2.83Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 2.89Å; E223-D225 VanDerWaalsContact C-N 3.34Å; E223-D225 PolarHBondContact O-N 3.36Å; E223-V226 PolarHBondContact O-N 3.1Å; E223-L227 HydrophobicContact CB-CD1 4.31Å; E223-L227 VanDerWaalsContact O-CB 3.23Å; E223-L227 WeakPolarHBondContact O-CB 3.29Å; E223-L227 WeakPolarHBondContact O-CD1 3.48Å; E223-L227 WeakPolarHBondContact O-CG 3.11Å; E223-L227 PolarHBondContact O-N 2.83Å
224L98.6Very high96.5Very high6 Ų645.9 Ų45.93%0.03128%0.282CS..Hα-helixtrans-59.2-44.9178.6-179.759.3000111.8G21 E24 A25 P204 F206 R220 L221 T222 L227 T228G21-L224 WeakPolarHBondContact O-CD1 3.42Å; E24-L224 HydrophobicContact CB-CD1 4.03Å; E24-L224 HydrophobicContact CG-CD1 3.92Å; A25-L224 HydrophobicContact CB-CD1 3.87Å; P204-L224 HydrophobicContact CB-CB 4.06Å; P204-L224 HydrophobicContact CB-CD1 4.1Å; F206-L224 HydrophobicContact CD1-CD2 3.87Å; F206-L224 HydrophobicContact CD2-CD2 4.42Å; F206-L224 HydrophobicContact CE1-CD2 3.5Å; F206-L224 HydrophobicContact CE2-CD2 4.12Å; F206-L224 HydrophobicContact CG-CD2 4.32Å; F206-L224 HydrophobicContact CZ-CD2 3.65Å; R220-L224 PolarHBondContact O-N 3.14Å; R220-L224 VanDerWaalsContact O-N 3.16Å; L221-L224 WeakPolarHBondContact O-CB 3.41Å; L221-L224 PolarHBondContact O-N 3.46Å; L221-L224 VanDerWaalsContact O-N 3.09Å; T222-L224 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 3.29Å; L224-L227 PolarHBondContact O-N 3.45Å; L224-T228 HydrophobicContact CD1-CG2 3.96Å; L224-T228 WeakPolarHBondContact O-CB 3.48Å; L224-T228 WeakPolarHBondContact O-CG2 3.36Å; L224-T228 PolarHBondContact O-N 3.37Å; L224-T228 VanDerWaalsContact O-N 3.07Å; L224-T228 PolarHBondContact O-OG1 3.08Å
225D97.8Very high96.7Very high114 Ų11444.6 Ų44.661%0.6127%0.274SS*.Hα-helixtrans-62.9-46.6177.9-73.7-16000111.7L221 T222 E223 T228 S229L221-D225 PolarHBondContact O-N 3.29Å; T222-D225 PolarHBondContact O-N 3.36Å; E223-D225 VanDerWaalsContact C-N 3.34Å; E223-D225 PolarHBondContact O-N 3.36Å; D225-T228 PolarHBondContact O-N 3.04Å; D225-T228 PolarHBondContact O-OG1 3.43Å; D225-S229 PolarHBondContact O-N 2.74Å
226V98.3Very high97Very high14 Ų1439.7 Ų39.79%0.08523%0.233CC..Hα-helixtrans-63.9-46.4179170.40000111F173 I178 E180 T222 E223 T228 S229 L232F173-V226 HydrophobicContact CE2-CG1 3.88Å; F173-V226 HydrophobicContact CZ-CB 4.03Å; F173-V226 HydrophobicContact CZ-CG1 3.67Å; I178-V226 HydrophobicContact CG2-CG2 4.44Å; E180-V226 HydrophobicContact CG-CG1 3.95Å; T222-V226 WeakPolarHBondContact O-CG2 3.45Å; T222-V226 PolarHBondContact O-N 3.01Å; E223-V226 PolarHBondContact O-N 3.1Å; V226-T228 VanDerWaalsContact C-N 3.26Å; V226-T228 PolarHBondContact O-N 3.15Å; V226-S229 VanDerWaalsContact O-CB 3.3Å; V226-S229 WeakPolarHBondContact O-CB 3.36Å; V226-S229 PolarHBondContact O-N 3.32Å; V226-L232 HydrophobicContact CG1-CD2 3.87Å; V226-L232 WeakPolarHBondContact O-CD2 3.29Å
227L98.6Very high97Very high0 Ų042.3 Ų42.30%026%0.256CS..Hα-helixtrans-71.5-19.8-175.8-65.8170.7000113.3V7 A25 G29 I30 V31 F173 F183 C202 P204 E223 L224V7-L227 HydrophobicContact CG1-CD2 4.05Å; A25-L227 HydrophobicContact CB-CB 4.49Å; G29-L227 CarbonylContact C-O 3.58Å; G29-L227 WeakPolarHBondContact CA-O 3.4Å; I30-L227 HydrophobicContact CD1-CD2 3.71Å; I30-L227 HydrophobicContact CG1-CB 4.35Å; I30-L227 HydrophobicContact CG1-CD2 3.78Å; I30-L227 PolarHBondContact N-O 3.02Å; V31-L227 HydrophobicContact CG2-CD1 4.1Å; F173-L227 HydrophobicContact CE1-CD1 4.18Å; F173-L227 HydrophobicContact CE1-CD2 4.04Å; F173-L227 HydrophobicContact CE1-CG 4.05Å; F173-L227 HydrophobicContact CZ-CD2 4.31Å; F173-L227 HydrophobicContact CZ-CG 4.33Å; F183-L227 HydrophobicContact CD2-CD2 4.15Å; F183-L227 HydrophobicContact CE2-CD2 3.73Å; C202-L227 HydrophobicContact CB-CD1 3.75Å; P204-L227 HydrophobicContact CB-CD1 3.99Å; P204-L227 HydrophobicContact CG-CD1 3.83Å; E223-L227 HydrophobicContact CB-CD1 4.31Å; E223-L227 VanDerWaalsContact O-CB 3.23Å; E223-L227 WeakPolarHBondContact O-CB 3.29Å; E223-L227 WeakPolarHBondContact O-CD1 3.48Å; E223-L227 WeakPolarHBondContact O-CG 3.11Å; E223-L227 PolarHBondContact O-N 2.83Å; L224-L227 PolarHBondContact O-N 3.45Å
228T98.3Very high96.9Very high39 Ų3949.8 Ų49.824%0.23929%0.29CS..THydrogen-bonded Turntrans-98.2-0.1174.7570000113.4E24 A25 N28 L224 D225 V226 A230E24-T228 HydrophobicContact CG-CG2 4.43Å; A25-T228 HydrophobicContact CB-CG2 4.48Å; N28-T228 HydrophobicContact CB-CG2 4.45Å; L224-T228 HydrophobicContact CD1-CG2 3.96Å; L224-T228 WeakPolarHBondContact O-CB 3.48Å; L224-T228 WeakPolarHBondContact O-CG2 3.36Å; L224-T228 PolarHBondContact O-N 3.37Å; L224-T228 VanDerWaalsContact O-N 3.07Å; L224-T228 PolarHBondContact O-OG1 3.08Å; D225-T228 PolarHBondContact O-N 3.04Å; D225-T228 PolarHBondContact O-OG1 3.43Å; V226-T228 VanDerWaalsContact C-N 3.26Å; V226-T228 PolarHBondContact O-N 3.15Å; T228-A230 PolarHBondContact O-N 3.01Å
229S97.3Very high96.9Very high27 Ų2745.9 Ų45.919%0.18927%0.271CS..  trans-66.7131.5178.2179.40000112.7E180 D225 V226 S231 L232E180-S229 WeakPolarHBondContact OE1-CB 3.44Å; E180-S229 PolarHBondContact OE1-OG 3.15Å; D225-S229 PolarHBondContact O-N 2.74Å; V226-S229 VanDerWaalsContact O-CB 3.3Å; V226-S229 WeakPolarHBondContact O-CB 3.36Å; V226-S229 PolarHBondContact O-N 3.32Å; S229-S231 VanDerWaalsContact C-N 3.32Å; S229-S231 PolarHBondContact O-N 2.83Å; S229-S231 PolarHBondContact OG-N 2.83Å; S229-S231 PolarHBondContact OG-OG 3.07Å; S229-L232 PolarHBondContact O-N 3Å
230A92.8Very high96.8Very high91 Ų9147 Ų4775%0.75228%0.284SS*.Hα-helixtrans-65.2-3317700000112.8T228 G234T228-A230 PolarHBondContact O-N 3.01Å; A230-G234 PolarHBondContact O-N 3.19Å
231S96.7Very high96.8Very high67 Ų6746.8 Ų46.847%0.46928%0.283SS..Hα-helixtrans-66.9-39.6178.243.90000111.6E180 S229 K233 G234 A235E180-S231 PolarHBondContact OE1-OG 2.85Å; E180-S231 WeakPolarHBondContact OE2-CB 3.45Å; E180-S231 PolarHBondContact OE2-OG 3.45Å; S229-S231 VanDerWaalsContact C-N 3.32Å; S229-S231 PolarHBondContact O-N 2.83Å; S229-S231 PolarHBondContact OG-N 2.83Å; S229-S231 PolarHBondContact OG-OG 3.07Å; S231-K233 PolarHBondContact O-N 3.07Å; S231-G234 PolarHBondContact O-N 2.96Å; S231-A235 WeakPolarHBondContact O-CB 3.23Å; S231-A235 PolarHBondContact O-N 3.25Å
232L97.6Very high96.8Very high0 Ų048.9 Ų48.90%029%0.287CS..Hα-helixtrans-60.8-45.2-179.4-175.857.9000111.7I30 E180 F183 L184 V226 S229 G234 A235 I236I30-L232 HydrophobicContact CD1-CD2 3.57Å; I30-L232 HydrophobicContact CD1-CG 4.09Å; I30-L232 HydrophobicContact CG1-CD2 4.5Å; E180-L232 HydrophobicContact CG-CB 4.21Å; F183-L232 HydrophobicContact CB-CD1 4.21Å; F183-L232 HydrophobicContact CD1-CD1 3.88Å; F183-L232 HydrophobicContact CD1-CD2 4.36Å; F183-L232 HydrophobicContact CG-CD1 4.21Å; F183-L232 HydrophobicContact CG-CD2 4.24Å; L184-L232 HydrophobicContact CD2-CD1 3.84Å; L184-L232 HydrophobicContact CG-CD1 4.14Å; V226-L232 HydrophobicContact CG1-CD2 3.87Å; V226-L232 WeakPolarHBondContact O-CD2 3.29Å; S229-L232 PolarHBondContact O-N 3Å; L232-G234 VanDerWaalsContact C-N 3.32Å; L232-G234 PolarHBondContact O-N 2.77Å; L232-A235 PolarHBondContact O-N 3.02Å; L232-A235 VanDerWaalsContact O-N 3.15Å; L232-I236 HydrophobicContact CD1-CD1 4.34Å; L232-I236 HydrophobicContact CD1-CG1 4.43Å; L232-I236 HydrophobicContact CG-CD1 4.01Å; L232-I236 WeakPolarHBondContact O-CG1 3.07Å; L232-I236 PolarHBondContact O-N 3.41Å
233K94.3Very high96.8Very high122 Ų12248.1 Ų48.153%0.5328%0.28SS..Hα-helixtrans-59.1-42178-170.6171.9-173.7165.80112.3I30 S231 A237I30-K233 HydrophobicContact CG2-CB 4.06Å; I30-K233 HydrophobicContact CG2-CG 4.35Å; S231-K233 PolarHBondContact O-N 3.07Å; K233-A237 PolarHBondContact O-N 3.22Å
234G94.8Very high96.8Very high32 Ų3248.5 Ų48.533%0.3328%0.284SS..Hα-helixtrans-65-42.817500000112.5A230 S231 L232 I236 A237 Q238A230-G234 PolarHBondContact O-N 3.19Å; S231-G234 PolarHBondContact O-N 2.96Å; L232-G234 VanDerWaalsContact C-N 3.32Å; L232-G234 PolarHBondContact O-N 2.77Å; G234-I236 VanDerWaalsContact C-N 3.35Å; G234-I236 PolarHBondContact O-N 2.86Å; G234-A237 PolarHBondContact O-N 2.99Å; G234-Q238 WeakPolarHBondContact O-CG 3.33Å; G234-Q238 PolarHBondContact O-N 3.25Å
235A97.3Very high96.8Very high15 Ų1548.7 Ų48.712%0.12429%0.286CS..Hα-helixtrans-67.3-31.8-179.700000113.4L184 S231 L232 R239L184-A235 HydrophobicContact CD1-CB 3.86Å; L184-A235 HydrophobicContact CD2-CB 3.65Å; L184-A235 HydrophobicContact CG-CB 4.39Å; S231-A235 WeakPolarHBondContact O-CB 3.23Å; S231-A235 PolarHBondContact O-N 3.25Å; L232-A235 PolarHBondContact O-N 3.02Å; L232-A235 VanDerWaalsContact O-N 3.15Å; A235-R239 WeakPolarHBondContact O-CG 3.41Å; A235-R239 PolarHBondContact O-N 2.7Å; A235-R239 PolarHBondContact O-NH1 2.91Å
236I97.5Very high96.8Very high3 Ų343.3 Ų43.32%0.01526%0.257CS..Hα-helixtrans-63.7-50.2171.8-72.3164.2000110.7L5 I30 F183 L187 L232 G234 Q238 R239 G240 Y241 L243L5-I236 HydrophobicContact CD2-CD1 4.09Å; L5-I236 HydrophobicContact CD2-CG1 4.24Å; L5-I236 HydrophobicContact CD2-CG2 3.85Å; I30-I236 HydrophobicContact CB-CD1 4.24Å; I30-I236 HydrophobicContact CD1-CD1 3.48Å; I30-I236 VanDerWaalsContact CD1-CD1 3.48Å; I30-I236 HydrophobicContact CG1-CD1 4.47Å; I30-I236 HydrophobicContact CG2-CD1 3.9Å; F183-I236 HydrophobicContact CE1-CD1 4.07Å; F183-I236 HydrophobicContact CE1-CG1 4.44Å; L187-I236 HydrophobicContact CD1-CB 4.49Å; L187-I236 HydrophobicContact CD1-CG1 3.71Å; L232-I236 HydrophobicContact CD1-CD1 4.34Å; L232-I236 HydrophobicContact CD1-CG1 4.43Å; L232-I236 HydrophobicContact CG-CD1 4.01Å; L232-I236 WeakPolarHBondContact O-CG1 3.07Å; L232-I236 PolarHBondContact O-N 3.41Å; G234-I236 VanDerWaalsContact C-N 3.35Å; G234-I236 PolarHBondContact O-N 2.86Å; I236-Q238 VanDerWaalsContact C-N 3.34Å; I236-Q238 PolarHBondContact O-N 3.33Å; I236-R239 WeakPolarHBondContact O-CB 3.19Å; I236-R239 PolarHBondContact O-N 3.48Å; I236-R239 VanDerWaalsContact O-N 3.12Å; I236-G240 PolarHBondContact O-N 3.07Å; I236-Y241 PolarHBondContact O-N 2.96Å; I236-L243 HydrophobicContact CG2-CD2 4.47Å
237A94.6Very high96.7Very high65 Ų6548.6 Ų48.654%0.53728%0.275SS..Hα-helixtrans-63.3-39.6-179.100000112K233 G234 R239 G240K233-A237 PolarHBondContact O-N 3.22Å; G234-A237 PolarHBondContact O-N 2.99Å; A237-R239 PolarHBondContact O-N 3.13Å; A237-G240 WeakPolarHBondContact O-CA 3.44Å; A237-G240 PolarHBondContact O-N 3.18Å
238Q95.4Very high96.6Very high165 Ų16552 Ų5277%0.77129%0.293SS*.Hα-helixtrans-62.9-27.8175.8-72.6171.610.200113.2G234 I236 G240G234-Q238 WeakPolarHBondContact O-CG 3.33Å; G234-Q238 PolarHBondContact O-N 3.25Å; I236-Q238 VanDerWaalsContact C-N 3.34Å; I236-Q238 PolarHBondContact O-N 3.33Å; Q238-G240 PolarHBondContact O-N 3.04Å
239R95.5Very high96.4Very high67 Ų6752.8 Ų52.825%0.25330%0.298SS..THydrogen-bonded Turntrans-80.22.3172.2-73168.8167.672.81.4112.7R3 D188 A235 I236 A237 Y241R3-R239 PolarHBondContact NH2-O 3.14Å; D188-R239 WeakPolarHBondContact OD1-CD 3.41Å; D188-R239 IonicContact OD1-CZ 3.71Å; D188-R239 IonicContact OD1-NE 2.91Å; D188-R239 PolarHBondContact OD1-NE 3.24Å; D188-R239 IonicContact OD1-NH2 2.87Å; D188-R239 IonicContact OD2-CZ 2.95Å; D188-R239 IonicContact OD2-NE 2.77Å; D188-R239 PolarHBondContact OD2-NE 2.85Å; D188-R239 IonicContact OD2-NH2 3.47Å; D188-R239 PolarHBondContact OD2-NH2 3.27Å; A235-R239 WeakPolarHBondContact O-CG 3.41Å; A235-R239 PolarHBondContact O-N 2.7Å; A235-R239 PolarHBondContact O-NH1 2.91Å; I236-R239 WeakPolarHBondContact O-CB 3.19Å; I236-R239 PolarHBondContact O-N 3.48Å; I236-R239 VanDerWaalsContact O-N 3.12Å; A237-R239 PolarHBondContact O-N 3.13Å; R239-Y241 VanDerWaalsContact C-N 3.32Å; R239-Y241 HydrophobicContact CB-CD2 3.88Å; R239-Y241 HydrophobicContact CB-CE2 4.36Å; R239-Y241 PolarHBondContact O-N 3.2Å
240G96.2Very high96.4Very high29 Ų2954.1 Ų54.130%0.29930%0.304SS..THydrogen-bonded Turntrans71.427.617900000113.4E2 R3 I236 A237 Q238E2-G240 WeakPolarHBondContact CA-O 3.49Å; R3-G240 PolarHBondContact N-O 2.98Å; I236-G240 PolarHBondContact O-N 3.07Å; A237-G240 WeakPolarHBondContact O-CA 3.44Å; A237-G240 PolarHBondContact O-N 3.18Å; Q238-G240 PolarHBondContact O-N 3.04Å
241Y97.7Very high96.6Very high6 Ų652.2 Ų52.22%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-94.8134.7169-78.5-83000110.6R3 L5 L187 A190 L198 I236 R239R3-Y241 HydrophobicContact CB-CD1 3.51Å; R3-Y241 HydrophobicContact CB-CE1 3.51Å; R3-Y241 HydrophobicContact CB-CG 4.21Å; R3-Y241 HydrophobicContact CG-CE1 4.4Å; R3-Y241 VanDerWaalsContact CZ-CE2 3.44Å; R3-Y241 VanDerWaalsContact NH1-CE2 3.26Å; R3-Y241 VanDerWaalsContact NH1-CZ 3.32Å; R3-Y241 PolarHBondContact NH1-OH 2.88Å; R3-Y241 CarbonylContact O-C 3.27Å; R3-Y241 VanDerWaalsContact O-CA 3.3Å; R3-Y241 WeakPolarHBondContact O-CA 3.42Å; L5-Y241 HydrophobicContact CB-CD1 3.75Å; L5-Y241 HydrophobicContact CB-CG 4.25Å; L187-Y241 HydrophobicContact CB-CD2 4.3Å; L187-Y241 HydrophobicContact CB-CE2 3.78Å; L187-Y241 HydrophobicContact CD1-CD2 4.29Å; L187-Y241 HydrophobicContact CD2-CE2 4.33Å; L187-Y241 HydrophobicContact CG-CE2 4.44Å; L187-Y241 PolarHBondContact O-OH 2.79Å; L187-Y241 VanDerWaalsContact O-OH 3.13Å; A190-Y241 WeakPolarHBondContact CB-OH 3.1Å; L198-Y241 HydrophobicContact CB-CE1 4.4Å; I236-Y241 PolarHBondContact O-N 2.96Å; R239-Y241 VanDerWaalsContact C-N 3.32Å; R239-Y241 HydrophobicContact CB-CD2 3.88Å; R239-Y241 HydrophobicContact CB-CE2 4.36Å; R239-Y241 PolarHBondContact O-N 3.2Å
242R97.3Very high96.6Very high104 Ų10451.3 Ų51.339%0.39227%0.27SS..EExtended strand (participates in β ladder)trans-101.8127.7166.9-178.6-17867.384.3-11.1108.6E2 R3 L5 G244 D248E2-R242 HydrophobicContact CB-CB 4.17Å; R3-R242 PolarHBondContact O-N 2.94Å; L5-R242 PolarHBondContact N-O 3.26Å; R242-G244 PolarHBondContact O-N 3.36Å; R242-D248 IonicContact CZ-OD1 2.7Å; R242-D248 IonicContact NH1-OD1 3.26Å; R242-D248 PolarHBondContact NH1-OD1 2.96Å; R242-D248 VanDerWaalsContact NH1-OD1 3.07Å; R242-D248 IonicContact NH2-OD1 3.32Å; R242-D248 PolarHBondContact NH2-OD1 2.97Å
243L98.1Very high96.5Very high45 Ų4554.4 Ų54.424%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-66.4132.5170-66.9173.7000110L5 V7 I30 T32 I236L5-L243 HydrophobicContact CB-CD2 4.34Å; L5-L243 HydrophobicContact CD2-CD2 3.85Å; L5-L243 HydrophobicContact CG-CD2 4.1Å; L5-L243 WeakPolarHBondContact O-CA 3.24Å; V7-L243 HydrophobicContact CG2-CD2 4.05Å; I30-L243 HydrophobicContact CB-CD1 3.94Å; I30-L243 HydrophobicContact CB-CD2 4.19Å; I30-L243 HydrophobicContact CG2-CD1 4.13Å; T32-L243 HydrophobicContact CG2-CB 3.9Å; I236-L243 HydrophobicContact CG2-CD2 4.47Å
244G98Very high96.7Very high7 Ų750.1 Ų50.17%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-157.5-164.8174.700000110L5 T32 R242L5-G244 PolarHBondContact O-N 2.95Å; T32-G244 VanDerWaalsContact CB-O 3.26Å; T32-G244 WeakPolarHBondContact CB-O 3.45Å; T32-G244 PolarHBondContact OG1-O 2.94Å; R242-G244 PolarHBondContact O-N 3.36Å
245S98.5Very high96.8Very high11 Ų1151.3 Ų51.38%0.07727%0.266CS..  trans-135.8-177.6-17568.30000111.2I6 R247 D248I6-S245 WeakPolarHBondContact CD1-O 3.43Å; S245-R247 PolarHBondContact O-N 3.47Å; S245-R247 WeakPolarHBondContact OG-CB 3.48Å; S245-R247 PolarHBondContact OG-N 3.25Å; S245-D248 PolarHBondContact N-OD2 3.48Å; S245-D248 WeakPolarHBondContact O-CB 3.32Å; S245-D248 PolarHBondContact O-N 2.8Å
246Y97.9Very high96.7Very high0 Ų053.9 Ų53.90%028%0.277CS..G310 helixtrans-61.7-9.5171.2-88-77000114.7I6 H121 A148 R150 R164 T166 E199 D248 V249I6-Y246 HydrophobicContact CD1-CD1 4.17Å; I6-Y246 HydrophobicContact CD1-CD2 3.92Å; I6-Y246 HydrophobicContact CD1-CE1 4.44Å; I6-Y246 HydrophobicContact CD1-CE2 4.18Å; I6-Y246 HydrophobicContact CD1-CG 3.94Å; I6-Y246 HydrophobicContact CG2-CD2 4.02Å; I6-Y246 HydrophobicContact CG2-CE2 4.17Å; H121-Y246 HydrophobicContact CB-CD1 3.65Å; H121-Y246 HydrophobicContact CB-CD2 3.74Å; H121-Y246 HydrophobicContact CB-CE1 4.11Å; H121-Y246 HydrophobicContact CB-CE2 4.23Å; H121-Y246 HydrophobicContact CB-CG 3.39Å; H121-Y246 AromaticContact CD2-CD2 3.18Å; H121-Y246 WeakPolarHBondContact CD2-CD2 3.45Å; H121-Y246 AromaticContact CD2-CE2 3.17Å; H121-Y246 WeakPolarHBondContact CD2-CE2 3.17Å; H121-Y246 AromaticContact CD2-CG 3.84Å; H121-Y246 AromaticContact CD2-CZ 3.82Å; H121-Y246 AromaticContact CE1-CD2 3.57Å; H121-Y246 AromaticContact CG-CD2 3.19Å; H121-Y246 AromaticContact CG-CE2 3.68Å; H121-Y246 AromaticContact CG-CG 3.4Å; H121-Y246 VanDerWaalsContact CG-CG 3.4Å; H121-Y246 AromaticContact ND1-CD2 3.45Å; H121-Y246 WeakPolarHBondContact ND1-CD2 3.18Å; H121-Y246 AromaticContact ND1-CG 3.77Å; H121-Y246 AromaticContact NE2-CD2 3.4Å; H121-Y246 WeakPolarHBondContact NE2-CD2 3.46Å; H121-Y246 AromaticContact NE2-CE2 3.51Å; A148-Y246 HydrophobicContact CB-CD1 3.37Å; A148-Y246 HydrophobicContact CB-CE1 3.93Å; A148-Y246 HydrophobicContact CB-CG 4.28Å; R150-Y246 VanDerWaalsContact CA-OH 3.26Å; R150-Y246 WeakPolarHBondContact CA-OH 3.39Å; R164-Y246 PolarHBondContact NH2-O 3.18Å; T166-Y246 HydrophobicContact CG2-CE1 4.28Å; E199-Y246 VanDerWaalsContact CD-OH 3.31Å; E199-Y246 HydrophobicContact CG-CE2 4.44Å; E199-Y246 PolarHBondContact OE2-OH 3.46Å; Y246-D248 VanDerWaalsContact C-N 3.25Å; Y246-V249 HydrophobicContact CD1-CB 4.44Å; Y246-V249 HydrophobicContact CD1-CG2 3.95Å; Y246-V249 HydrophobicContact CE1-CG2 4.44Å
247R96.7Very high96.7Very high125 Ų12557.8 Ų57.847%0.47230%0.297SS..G310 helixtrans-69.5-24.1168.4-60-179.2-178.4165.26.9112.6T120 S245T120-R247 HydrophobicContact CG2-CG 3.75Å; S245-R247 PolarHBondContact O-N 3.47Å; S245-R247 WeakPolarHBondContact OG-CB 3.48Å; S245-R247 PolarHBondContact OG-N 3.25Å
248D97.1Very high96.9Very high71 Ų7157.3 Ų57.338%0.3828%0.277SS..G310 helixtrans-90.8-6.5-177.2-60.8-100.7000113.9L4 R242 S245 Y246L4-D248 HydrophobicContact CD1-CB 3.81Å; L4-D248 HydrophobicContact CD2-CB 3.66Å; L4-D248 HydrophobicContact CG-CB 4.41Å; R242-D248 IonicContact CZ-OD1 2.7Å; R242-D248 IonicContact NH1-OD1 3.26Å; R242-D248 PolarHBondContact NH1-OD1 2.96Å; R242-D248 VanDerWaalsContact NH1-OD1 3.07Å; R242-D248 IonicContact NH2-OD1 3.32Å; R242-D248 PolarHBondContact NH2-OD1 2.97Å; S245-D248 PolarHBondContact N-OD2 3.48Å; S245-D248 WeakPolarHBondContact O-CB 3.32Å; S245-D248 PolarHBondContact O-N 2.8Å; Y246-D248 VanDerWaalsContact C-N 3.25Å
249V94Very high97Very high57 Ų5747.5 Ų47.535%0.34523%0.232SC..  trans-82.10-177.8179.30000112.1L4 I6 R164 T165 T166 Y246L4-V249 HydrophobicContact CD2-CG2 3.95Å; I6-V249 HydrophobicContact CD1-CG2 3.6Å; R164-V249 HydrophobicContact CB-CG1 4.27Å; R164-V249 PolarHBondContact NE-O 3.36Å; R164-V249 PolarHBondContact NH2-O 3.19Å; T165-V249 VanDerWaalsContact C-CG1 3.46Å; T165-V249 WeakPolarHBondContact O-CG1 3.41Å; T166-V249 HydrophobicContact CG2-CG2 4.03Å; Y246-V249 HydrophobicContact CD1-CB 4.44Å; Y246-V249 HydrophobicContact CD1-CG2 3.95Å; Y246-V249 HydrophobicContact CE1-CG2 4.44Å

Retrieved 249 of 249 residues in 56.5 ms (Link to these results)

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