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Phosphoglycerate mutase

Plays a major role in regulating hemoglobin oxygen affinity by controlling the levels of its allosteric effector 2,3-bisphosphoglycerate (2,3-BPG). Also exhibits mutase (EC 5.4.2.11) activity.

AlphaFold DB (P07738), UniProt , Accession A0A024R782, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 259 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
1M60.9Low90.4Very high207 Ų20749.3 Ų49.3100%1.0223%0.234SC*.  0135.40-77.3-174.7-89.900106.7K3M1-K3 PolarHBondContact O-N 2.86Å
2S70.7Confident90.9Very high49 Ų4945.2 Ų45.234%0.34322%0.215SC..  trans-63.4133.3175.5430000110.5E221S2-E221 WeakPolarHBondContact CB-OE2 3.49Å; S2-E221 PolarHBondContact OG-OE2 2.62Å
3K83.9Confident91.3Very high115 Ų11542.4 Ų42.450%0.520%0.202SC..  trans-105-30.7178.2-72.8-172-177.2170.10111.7M1 L222 E224M1-K3 PolarHBondContact O-N 2.86Å; K3-L222 PolarHBondContact N-O 3.2Å; K3-E224 HydrophobicContact CD-CB 4.12Å; K3-E224 WeakPolarHBondContact CE-OE2 3.41Å; K3-E224 IonicContact NZ-OE1 2.86Å; K3-E224 PolarHBondContact NZ-OE1 2.66Å; K3-E224 IonicContact NZ-OE2 3.39Å; K3-E224 PolarHBondContact NZ-OE2 3.14Å
4Y96.1Very high91.6Very high43 Ų4339.4 Ų39.417%0.16919%0.187CC..EExtended strand (participates in β ladder)trans-131.4144.2-172.3-42-72.8000111.1V177 L178 E221 L222 D223 L226Y4-V177 HydrophobicContact CD1-CG1 4.35Å; Y4-V177 WeakPolarHBondContact CD1-O 3.3Å; Y4-V177 HydrophobicContact CD2-CG1 4.17Å; Y4-V177 VanDerWaalsContact CE1-O 3.3Å; Y4-V177 WeakPolarHBondContact CE1-O 3.47Å; Y4-V177 HydrophobicContact CG-CG1 3.78Å; Y4-L178 HydrophobicContact CE2-CD2 4.12Å; Y4-E221 WeakPolarHBondContact O-CA 3.46Å; Y4-L222 HydrophobicContact CD2-CB 4.37Å; Y4-L222 PolarHBondContact N-O 3.21Å; Y4-L222 PolarHBondContact O-N 3.16Å; Y4-D223 WeakPolarHBondContact CD2-O 3.49Å; Y4-D223 WeakPolarHBondContact CE2-O 3.49Å; Y4-L226 HydrophobicContact CD2-CD2 4.1Å; Y4-L226 HydrophobicContact CE2-CD2 4.31Å
5K93.4Very high91.5Very high108 Ų10838.9 Ų38.947%0.4719%0.193SC..EExtended strand (participates in β ladder)trans-113.9130.7172.8-67-173177.1-171.90109.4L219 E221K5-L219 HydrophobicContact CB-CD1 4.17Å; K5-L219 HydrophobicContact CD-CD1 4.3Å; K5-L219 HydrophobicContact CG-CD1 4.29Å; K5-E221 WeakPolarHBondContact CE-OE1 3.5Å; K5-E221 HydrophobicContact CG-CG 4.42Å; K5-E221 IonicContact NZ-OE1 3.24Å
6L96.9Very high91.7Very high0 Ų037.1 Ų37.10%018%0.183CC..EExtended strand (participates in β ladder)trans-119.7131.3174.9175.367.2000108M8 W169 I183 I185 L199 L220L6-M8 HydrophobicContact CD2-CE 3.56Å; L6-M8 HydrophobicContact CG-CE 4.34Å; L6-W169 HydrophobicContact CD2-CH2 3.87Å; L6-W169 HydrophobicContact CD2-CZ3 3.77Å; L6-I183 HydrophobicContact CD1-CB 3.65Å; L6-I183 HydrophobicContact CD1-CG2 3.85Å; L6-I185 HydrophobicContact CD1-CD1 3.88Å; L6-I185 HydrophobicContact CD1-CG1 4.04Å; L6-I185 HydrophobicContact CD2-CD1 4.11Å; L6-I185 HydrophobicContact CG-CD1 4.47Å; L6-L199 HydrophobicContact CD2-CD1 4.32Å; L6-L220 PolarHBondContact N-O 3.39Å; L6-L220 PolarHBondContact O-N 3.47Å
7I98.6Very high91.4Very high0 Ų035.6 Ų35.60%018%0.176CC..EExtended strand (participates in β ladder)trans-100.4130.1165-61.6-59.7000108.3L45 F50 F52 I183 L184 I185 P217 I218 L219 L235I7-L45 HydrophobicContact CD1-CD2 4.18Å; I7-L45 HydrophobicContact CG1-CD2 4.06Å; I7-L45 HydrophobicContact CG2-CD1 4.41Å; I7-L45 HydrophobicContact CG2-CD2 4.21Å; I7-F50 HydrophobicContact CD1-CE1 3.85Å; I7-F50 HydrophobicContact CD1-CE2 4.14Å; I7-F50 HydrophobicContact CD1-CZ 3.54Å; I7-F50 HydrophobicContact CG1-CD1 3.95Å; I7-F50 HydrophobicContact CG1-CE1 3.43Å; I7-F50 VanDerWaalsContact CG1-CE1 3.43Å; I7-F50 HydrophobicContact CG1-CE2 4.39Å; I7-F50 HydrophobicContact CG1-CZ 3.69Å; I7-F52 HydrophobicContact CB-CE1 3.96Å; I7-F52 HydrophobicContact CB-CZ 4.08Å; I7-F52 HydrophobicContact CG1-CE1 4Å; I7-F52 HydrophobicContact CG1-CZ 4.01Å; I7-F52 HydrophobicContact CG2-CZ 4.44Å; I7-I183 PolarHBondContact N-O 3.18Å; I7-L184 HydrophobicContact CB-CD1 4.05Å; I7-L184 HydrophobicContact CG2-CD1 3.55Å; I7-L184 CarbonylContact O-C 3.6Å; I7-L184 WeakPolarHBondContact O-CA 3.28Å; I7-I185 PolarHBondContact O-N 3.48Å; I7-P217 HydrophobicContact CG2-CB 4.16Å; I7-I218 WeakPolarHBondContact CA-O 3.3Å; I7-L219 HydrophobicContact CD1-CB 4.1Å; I7-L219 HydrophobicContact CD1-CD1 3.87Å; I7-L235 HydrophobicContact CD1-CD1 3.94Å
8M98.5Very high91.2Very high0 Ų040.8 Ų40.80%020%0.197CC..EExtended strand (participates in β ladder)trans-128.4156.3166.465.2177.569.800110.3L6 I185 L195 L196 L199 I218 L220L6-M8 HydrophobicContact CD2-CE 3.56Å; L6-M8 HydrophobicContact CG-CE 4.34Å; M8-I185 CarbonylContact C-O 3.55Å; M8-I185 VanDerWaalsContact CA-O 3.24Å; M8-I185 WeakPolarHBondContact CA-O 3.12Å; M8-I185 HydrophobicContact CB-CB 3.95Å; M8-L195 HydrophobicContact CE-CD2 3.87Å; M8-L195 HydrophobicContact CE-CG 4.23Å; M8-L196 HydrophobicContact CE-CD2 3.94Å; M8-L196 HydrophobicContact SD-CD1 4.33Å; M8-L196 HydrophobicContact SD-CD2 3.51Å; M8-L196 VanDerWaalsContact SD-CD2 3.51Å; M8-L196 HydrophobicContact SD-CG 3.7Å; M8-L199 HydrophobicContact CE-CD1 4.39Å; M8-I218 HydrophobicContact CG-CB 3.8Å; M8-I218 HydrophobicContact CG-CD1 4.28Å; M8-I218 HydrophobicContact CG-CG2 4.11Å; M8-I218 PolarHBondContact N-O 2.88Å; M8-I218 WeakPolarHBondContact O-CA 3.31Å; M8-I218 WeakPolarHBondContact O-CB 3.34Å; M8-I218 PolarHBondContact O-N 3.41Å; M8-L220 HydrophobicContact CE-CD2 4.17Å
9L98.6Very high91.2Very high0 Ų043.6 Ų43.60%021%0.21CC..EExtended strand (participates in β ladder)trans-151.2159.7171.271.3151.2000112.3T66 I70 L184 I185 A187L9-T66 HydrophobicContact CD1-CG2 3.6Å; L9-T66 HydrophobicContact CG-CG2 4.49Å; L9-I70 HydrophobicContact CD1-CD1 3.73Å; L9-I70 HydrophobicContact CD2-CD1 3.83Å; L9-I70 HydrophobicContact CG-CD1 4.46Å; L9-L184 HydrophobicContact CD2-CD1 3.57Å; L9-L184 HydrophobicContact CD2-CG 4.48Å; L9-I185 PolarHBondContact N-O 3.02Å; L9-A187 PolarHBondContact O-N 3.5Å
10R98.4Very high91.3Very high16 Ų1642.5 Ų42.56%0.0621%0.205CC..EExtended strand (participates in β ladder)trans-83.2134.1161176.3-179.9175.8-162.5-9.8108.2N17 L212 P213 T214 G215R10-N17 PolarHBondContact NH2-ND2 2.86Å; R10-L212 WeakPolarHBondContact CD-O 3.44Å; R10-L212 PolarHBondContact NH1-O 3.31Å; R10-P213 WeakPolarHBondContact CB-O 3.39Å; R10-T214 HydrophobicContact CG-CG2 4.25Å; R10-T214 VanDerWaalsContact CZ-CG2 3.42Å; R10-G215 PolarHBondContact O-N 2.96Å
11H98.4Very high91.5Very high4 Ų443 Ų432%0.01921%0.205CC..PPolyproline II helixtrans-46.8157.1174.869.277.3000113.1R62 A187 H188 T214H11-R62 HydrophobicContact CB-CB 4.46Å; H11-R62 HydrophobicContact CB-CG 4.39Å; H11-R62 VanDerWaalsContact CE1-CD 3.41Å; H11-R62 WeakPolarHBondContact CE1-CD 3.3Å; H11-R62 WeakPolarHBondContact NE2-CD 3.34Å; H11-R62 PolarHBondContact NE2-NE 3.27Å; H11-R62 VanDerWaalsContact NE2-NE 3.13Å; H11-A187 PolarHBondContact CD2-O 3.36Å; H11-A187 PolarHBondContact N-O 3.25Å; H11-H188 AromaticContact CD2-CE1 3.77Å; H11-H188 AromaticContact CD2-CG 3.9Å; H11-H188 AromaticContact CD2-ND1 3.17Å; H11-H188 PolarHBondContact CD2-ND1 3.27Å; H11-H188 AromaticContact NE2-ND1 3.45Å; H11-H188 PolarHBondContact NE2-ND1 2.88Å; H11-T214 WeakPolarHBondContact O-CB 3.33Å; H11-T214 WeakPolarHBondContact O-CG2 3.48Å
12G97.1Very high93.2Very high0 Ų033.1 Ų33.10%016%0.157CC..PPolyproline II helixtrans-63.2165.5175.700000113.3G14 L30 E37 T66G12-G14 PolarHBondContact O-N 2.84Å; G12-L30 WeakPolarHBondContact O-CD2 3.22Å; G12-E37 VanDerWaalsContact CA-OE2 3.22Å; G12-E37 WeakPolarHBondContact CA-OE2 3.23Å; G12-T66 PolarHBondContact N-OG1 3.21Å
13E96.1Very high94.4Very high9 Ų931.1 Ų31.14%0.04214%0.143CC..PPolyproline II helixtrans-54.1133.4-178.7-159.4-17882.700113.1N17 L30 N31 G34 E37 K247E13-N17 HydrophobicContact CG-CB 3.74Å; E13-L30 WeakPolarHBondContact O-CA 3.41Å; E13-N31 PolarHBondContact O-N 2.92Å; E13-N31 PolarHBondContact O-OD1 3.21Å; E13-N31 PolarHBondContact OE1-ND2 2.88Å; E13-G34 WeakPolarHBondContact O-CA 3.36Å; E13-E37 PolarHBondContact N-OE2 3.04Å; E13-K247 IonicContact OE2-NZ 3.9Å; E13-K247 PolarHBondContact OE2-NZ 2.94Å
14G94.3Very high95Very high0 Ų025.8 Ų25.80%012%0.119CC..BIsolated β-bridgetrans-108.9167.7168.100000111.8G12 W16 N17 K18 K29G12-G14 PolarHBondContact O-N 2.84Å; G14-W16 VanDerWaalsContact C-N 3.27Å; G14-W16 PolarHBondContact O-N 3.47Å; G14-N17 PolarHBondContact N-OD1 3.01Å; G14-N17 WeakPolarHBondContact O-CB 3.48Å; G14-N17 PolarHBondContact O-N 3.18Å; G14-K18 PolarHBondContact O-N 3.39Å; G14-K29 WeakPolarHBondContact CA-O 3.29Å
15A91.4Very high95.2Very high33 Ų3323.9 Ų23.927%0.27311%0.112SC..Hα-helixtrans-51-44.9179.900000112.8N17 K18 E19A15-N17 VanDerWaalsContact C-N 3.3Å; A15-N17 PolarHBondContact O-N 2.86Å; A15-K18 WeakPolarHBondContact O-CB 3.35Å; A15-K18 PolarHBondContact O-N 2.77Å; A15-K18 VanDerWaalsContact O-N 3.11Å; A15-E19 WeakPolarHBondContact O-CG 3.37Å; A15-E19 PolarHBondContact O-N 2.77Å
16W94Very high95.4Very high10 Ų1018.8 Ų18.84%0.0389%0.09CC..Hα-helixtrans-73.4-19.1-179.4-74.132.7000114.3G14 N20 R21 F22 C23 V26 Q28 I96 Y132G14-W16 VanDerWaalsContact C-N 3.27Å; G14-W16 PolarHBondContact O-N 3.47Å; W16-N20 PolarHBondContact O-N 3.44Å; W16-R21 HydrophobicContact CB-CB 4.16Å; W16-R21 HydrophobicContact CD2-CB 4.03Å; W16-R21 HydrophobicContact CE3-CB 3.76Å; W16-R21 HydrophobicContact CG-CB 4.21Å; W16-R21 VanDerWaalsContact CZ2-NH2 3.34Å; W16-R21 PolarHBondContact O-N 3.14Å; W16-F22 VanDerWaalsContact CZ3-O 3.28Å; W16-F22 WeakPolarHBondContact CZ3-O 3.25Å; W16-C23 HydrophobicContact CB-CB 4.06Å; W16-C23 HydrophobicContact CE3-CB 4.02Å; W16-V26 HydrophobicContact CH2-CB 4.33Å; W16-V26 HydrophobicContact CH2-CG1 3.94Å; W16-V26 HydrophobicContact CH2-CG2 4.07Å; W16-V26 HydrophobicContact CZ2-CG1 4.12Å; W16-V26 HydrophobicContact CZ3-CB 4.39Å; W16-V26 HydrophobicContact CZ3-CG1 4.39Å; W16-V26 HydrophobicContact CZ3-CG2 4.22Å; W16-Q28 HydrophobicContact CB-CG 4.32Å; W16-Q28 VanDerWaalsContact CD1-CD 3.48Å; W16-Q28 HydrophobicContact CD2-CG 3.92Å; W16-Q28 HydrophobicContact CG-CG 3.76Å; W16-I96 HydrophobicContact CZ3-CG2 4.45Å; W16-Y132 HydrophobicContact CH2-CD1 4.08Å; W16-Y132 HydrophobicContact CH2-CD2 4.37Å; W16-Y132 AromaticContact CH2-CE1 3.53Å; W16-Y132 HydrophobicContact CH2-CE1 3.53Å; W16-Y132 AromaticContact CH2-CE2 3.8Å; W16-Y132 HydrophobicContact CH2-CE2 3.8Å; W16-Y132 AromaticContact CH2-CZ 3.37Å; W16-Y132 AromaticContact CZ2-CE1 3.71Å; W16-Y132 HydrophobicContact CZ2-CE1 3.71Å; W16-Y132 HydrophobicContact CZ2-CE2 4.46Å; W16-Y132 AromaticContact CZ2-CZ 3.62Å; W16-Y132 WeakPolarHBondContact CZ2-OH 3.46Å
17N86.1Confident95.4Very high12 Ų1220.8 Ų20.86%0.06410%0.101CC..Hα-helixtrans-69.5-43.1169-61.5109.2000109.9R10 E13 G14 A15 N20 Q251R10-N17 PolarHBondContact NH2-ND2 2.86Å; E13-N17 HydrophobicContact CG-CB 3.74Å; G14-N17 PolarHBondContact N-OD1 3.01Å; G14-N17 WeakPolarHBondContact O-CB 3.48Å; G14-N17 PolarHBondContact O-N 3.18Å; A15-N17 VanDerWaalsContact C-N 3.3Å; A15-N17 PolarHBondContact O-N 2.86Å; N17-N20 PolarHBondContact O-N 3Å; N17-Q251 PolarHBondContact O-NE2 3.3Å
18K88.3Confident95.3Very high128 Ų12823 Ų2356%0.55711%0.111SC*.Hα-helixtrans-65.9-41.8175.9-167.8169.9-177.6171.70112.4G14 A15 N20 E33G14-K18 PolarHBondContact O-N 3.39Å; A15-K18 WeakPolarHBondContact O-CB 3.35Å; A15-K18 PolarHBondContact O-N 2.77Å; A15-K18 VanDerWaalsContact O-N 3.11Å; K18-N20 PolarHBondContact O-N 3.32Å; K18-E33 IonicContact NZ-OE1 2.8Å; K18-E33 PolarHBondContact NZ-OE1 2.8Å
19E92.1Very high95.3Very high94 Ų9429.9 Ų29.944%0.43914%0.141SC..THydrogen-bonded Turntrans-76.50.3176.7-65.9166.4-155.300114A15 R21 N99A15-E19 WeakPolarHBondContact O-CG 3.37Å; A15-E19 PolarHBondContact O-N 2.77Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 HydrophobicContact CB-CG 4.14Å; E19-R21 PolarHBondContact O-N 3.43Å; E19-R21 WeakPolarHBondContact OE2-CD 3.41Å; E19-R21 IonicContact OE2-NH1 3.32Å; E19-R21 PolarHBondContact OE2-NH1 3.12Å; E19-N99 PolarHBondContact O-ND2 3.36Å
20N92.9Very high95.3Very high21 Ų2130.5 Ų30.511%0.11214%0.144CC..THydrogen-bonded Turntrans55.340.8-177.5-163.421.7000114.8W16 N17 K18 N99 R100 Q251W16-N20 PolarHBondContact O-N 3.44Å; N17-N20 PolarHBondContact O-N 3Å; K18-N20 PolarHBondContact O-N 3.32Å; N20-N99 WeakPolarHBondContact O-CA 3.32Å; N20-R100 WeakPolarHBondContact O-CG 3.44Å; N20-R100 PolarHBondContact O-N 2.77Å; N20-R100 WeakPolarHBondContact OD1-CB 3.47Å; N20-R100 WeakPolarHBondContact OD1-CD 3.3Å; N20-R100 WeakPolarHBondContact OD1-CG 3.39Å; N20-R100 PolarHBondContact OD1-NH1 2.78Å; N20-Q251 PolarHBondContact ND2-O 3.42Å; N20-Q251 VanDerWaalsContact OD1-CB 3.26Å; N20-Q251 WeakPolarHBondContact OD1-CB 3.11Å; N20-Q251 WeakPolarHBondContact OD1-CG 3.26Å; N20-Q251 PolarHBondContact OD1-O 3.17Å
21R95.6Very high95.2Very high54 Ų5430.9 Ų30.920%0.20415%0.147CC..BIsolated β-bridgetrans-105.7147.3178.1-63.2171.567-159.3-1.3112.6W16 E19 C23 G97 L98 R100 Y132W16-R21 HydrophobicContact CB-CB 4.16Å; W16-R21 HydrophobicContact CD2-CB 4.03Å; W16-R21 HydrophobicContact CE3-CB 3.76Å; W16-R21 HydrophobicContact CG-CB 4.21Å; W16-R21 VanDerWaalsContact CZ2-NH2 3.34Å; W16-R21 PolarHBondContact O-N 3.14Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 HydrophobicContact CB-CG 4.14Å; E19-R21 PolarHBondContact O-N 3.43Å; E19-R21 WeakPolarHBondContact OE2-CD 3.41Å; E19-R21 IonicContact OE2-NH1 3.32Å; E19-R21 PolarHBondContact OE2-NH1 3.12Å; R21-C23 PolarHBondContact O-N 3.42Å; R21-C23 VanDerWaalsContact O-N 3.15Å; R21-G97 PolarHBondContact NE-O 3.22Å; R21-G97 PolarHBondContact NH2-O 3.45Å; R21-G97 VanDerWaalsContact NH2-O 3.16Å; R21-L98 CarbonylContact C-O 3.59Å; R21-L98 VanDerWaalsContact CA-O 3.29Å; R21-L98 WeakPolarHBondContact CA-O 3.47Å; R21-R100 VanDerWaalsContact O-CZ 3.22Å; R21-R100 PolarHBondContact O-NH1 3.43Å; R21-R100 VanDerWaalsContact O-NH1 3.12Å; R21-R100 PolarHBondContact O-NH2 2.77Å; R21-Y132 PolarHBondContact NH2-OH 3.19Å
22F95.4Very high95.2Very high0 Ų034.6 Ų34.60%017%0.174CC..  trans-70104.1173-71-80.5000110.7W16 Y92 L95 I96 G97 L98 R100 M103 R116W16-F22 VanDerWaalsContact CZ3-O 3.28Å; W16-F22 WeakPolarHBondContact CZ3-O 3.25Å; F22-Y92 HydrophobicContact CB-CD2 4.47Å; F22-Y92 HydrophobicContact CB-CG 4.43Å; F22-Y92 AromaticContact CD1-CD1 3.66Å; F22-Y92 HydrophobicContact CD1-CD1 3.66Å; F22-Y92 AromaticContact CD1-CD2 3.89Å; F22-Y92 HydrophobicContact CD1-CD2 3.89Å; F22-Y92 AromaticContact CD1-CE1 3.61Å; F22-Y92 HydrophobicContact CD1-CE1 3.61Å; F22-Y92 AromaticContact CD1-CE2 3.85Å; F22-Y92 HydrophobicContact CD1-CE2 3.85Å; F22-Y92 AromaticContact CD1-CG 3.79Å; F22-Y92 HydrophobicContact CD1-CG 3.79Å; F22-Y92 AromaticContact CD1-CZ 3.7Å; F22-Y92 AromaticContact CE1-CD1 3.88Å; F22-Y92 HydrophobicContact CE1-CD1 3.88Å; F22-Y92 AromaticContact CE1-CE1 3.52Å; F22-Y92 HydrophobicContact CE1-CE1 3.52Å; F22-Y92 HydrophobicContact CE1-CE2 4.43Å; F22-Y92 HydrophobicContact CE1-CG 4.47Å; F22-Y92 AromaticContact CE1-CZ 3.82Å; F22-Y92 HydrophobicContact CG-CG 4.44Å; F22-L95 VanDerWaalsContact CB-O 3.28Å; F22-L95 WeakPolarHBondContact CB-O 3.43Å; F22-L95 HydrophobicContact CD2-CB 4.08Å; F22-L95 HydrophobicContact CE2-CB 4.39Å; F22-L95 HydrophobicContact CG-CB 4.26Å; F22-L95 HydrophobicContact CZ-CD1 4.38Å; F22-I96 WeakPolarHBondContact O-CA 3.34Å; F22-G97 PolarHBondContact O-N 3.24Å; F22-L98 HydrophobicContact CD2-CB 4.5Å; F22-L98 WeakPolarHBondContact CD2-O 3.4Å; F22-L98 PolarHBondContact N-O 2.96Å; F22-R100 HydrophobicContact CD1-CG 4.35Å; F22-R100 HydrophobicContact CD2-CG 3.92Å; F22-R100 HydrophobicContact CE1-CG 4.09Å; F22-R100 HydrophobicContact CE2-CB 4.22Å; F22-R100 HydrophobicContact CE2-CG 3.62Å; F22-R100 HydrophobicContact CG-CG 4.28Å; F22-R100 HydrophobicContact CZ-CB 4.38Å; F22-R100 HydrophobicContact CZ-CG 3.72Å; F22-M103 HydrophobicContact CE2-CB 4.48Å; F22-M103 HydrophobicContact CE2-CG 4.1Å; F22-R116 HydrophobicContact CE1-CG 3.75Å; F22-R116 HydrophobicContact CZ-CG 4.06Å
23C96Very high95.2Very high7 Ų738.2 Ų38.25%0.04719%0.191CC..  trans-81.5-53.9-176.5-176.60000113.2W16 R21 W25 V26 Q28W16-C23 HydrophobicContact CB-CB 4.06Å; W16-C23 HydrophobicContact CE3-CB 4.02Å; R21-C23 PolarHBondContact O-N 3.42Å; R21-C23 VanDerWaalsContact O-N 3.15Å; C23-W25 PolarHBondContact O-N 2.9Å; C23-V26 VanDerWaalsContact O-CB 3.3Å; C23-V26 WeakPolarHBondContact O-CB 3.39Å; C23-V26 PolarHBondContact O-N 3.11Å; C23-V26 PolarHBondContact SG-O 3.26Å; C23-Q28 WeakPolarHBondContact SG-CG 3.41Å
24S97.6Very high95.3Very high2 Ų237.8 Ų37.81%0.01419%0.189CC..THydrogen-bonded Turntrans56.4-130.6176.4-164.10000112.9V26 R62 R90 H91 Y92S24-V26 VanDerWaalsContact C-N 3.29Å; S24-V26 PolarHBondContact O-N 3.02Å; S24-R62 PolarHBondContact O-NH2 3.15Å; S24-R90 PolarHBondContact OG-O 2.83Å; S24-H91 WeakPolarHBondContact OG-CA 3.08Å; S24-Y92 PolarHBondContact OG-N 3.35Å
25W98.7Very high95.5Very high3 Ų342 Ų421%0.01121%0.21CC..THydrogen-bonded Turntrans-80.2-2.9-179.4-75.433000114.4C23 D27 L60 W85 N88 E89 H91 I136 Y142 L152 P153C23-W25 PolarHBondContact O-N 2.9Å; W25-D27 PolarHBondContact O-N 2.96Å; W25-L60 WeakPolarHBondContact O-CD2 3.39Å; W25-W85 AromaticContact CH2-CE3 3.56Å; W25-W85 HydrophobicContact CH2-CE3 3.56Å; W25-W85 AromaticContact CH2-CZ3 3.96Å; W25-W85 HydrophobicContact CH2-CZ3 3.96Å; W25-W85 AromaticContact CZ2-CE3 3.76Å; W25-W85 HydrophobicContact CZ2-CE3 3.76Å; W25-W85 HydrophobicContact CZ2-CZ3 4.09Å; W25-N88 HydrophobicContact CZ2-CB 4.24Å; W25-E89 PolarHBondContact NE1-O 2.64Å; W25-H91 AromaticContact CD1-CD2 3.99Å; W25-H91 AromaticContact CD2-CD2 3.54Å; W25-H91 AromaticContact CE2-CD2 3.92Å; W25-H91 AromaticContact CE3-CD2 3.88Å; W25-H91 AromaticContact CG-CD2 3.62Å; W25-I136 HydrophobicContact CB-CD1 4.19Å; W25-I136 HydrophobicContact CB-CG1 4.46Å; W25-I136 HydrophobicContact CB-CG2 4.22Å; W25-I136 HydrophobicContact CE3-CG2 4.12Å; W25-Y142 HydrophobicContact CD2-CE1 4.38Å; W25-Y142 HydrophobicContact CE3-CD1 4.29Å; W25-Y142 AromaticContact CE3-CE1 3.54Å; W25-Y142 HydrophobicContact CE3-CE1 3.54Å; W25-Y142 HydrophobicContact CE3-CE2 4.14Å; W25-Y142 AromaticContact CE3-CZ 3.44Å; W25-Y142 VanDerWaalsContact CE3-CZ 3.44Å; W25-Y142 HydrophobicContact CH2-CE1 4.16Å; W25-Y142 AromaticContact CZ3-CD1 3.82Å; W25-Y142 HydrophobicContact CZ3-CD1 3.82Å; W25-Y142 AromaticContact CZ3-CE1 3.41Å; W25-Y142 HydrophobicContact CZ3-CE1 3.41Å; W25-Y142 VanDerWaalsContact CZ3-CE1 3.41Å; W25-Y142 AromaticContact CZ3-CZ 3.84Å; W25-L152 HydrophobicContact CH2-CD2 4.22Å; W25-L152 HydrophobicContact CZ3-CB 4.42Å; W25-L152 HydrophobicContact CZ3-CD1 4.29Å; W25-P153 HydrophobicContact CH2-CG 3.81Å; W25-P153 HydrophobicContact CZ2-CG 3.8Å
26V98.3Very high95.8Very high1 Ų144.9 Ų44.91%0.00622%0.217CC..SBendtrans-62.1129.9166.4176.80000108.2W16 C23 S24 Q28 R62 I96 Y132 E135 I136W16-V26 HydrophobicContact CH2-CB 4.33Å; W16-V26 HydrophobicContact CH2-CG1 3.94Å; W16-V26 HydrophobicContact CH2-CG2 4.07Å; W16-V26 HydrophobicContact CZ2-CG1 4.12Å; W16-V26 HydrophobicContact CZ3-CB 4.39Å; W16-V26 HydrophobicContact CZ3-CG1 4.39Å; W16-V26 HydrophobicContact CZ3-CG2 4.22Å; C23-V26 VanDerWaalsContact O-CB 3.3Å; C23-V26 WeakPolarHBondContact O-CB 3.39Å; C23-V26 PolarHBondContact O-N 3.11Å; C23-V26 PolarHBondContact SG-O 3.26Å; S24-V26 VanDerWaalsContact C-N 3.29Å; S24-V26 PolarHBondContact O-N 3.02Å; V26-Q28 HydrophobicContact CG1-CG 3.87Å; V26-Q28 VanDerWaalsContact CG1-NE2 3.33Å; V26-Q28 PolarHBondContact O-N 3.19Å; V26-R62 PolarHBondContact O-NH1 2.89Å; V26-I96 HydrophobicContact CG2-CG2 3.36Å; V26-Y132 HydrophobicContact CG1-CD1 4.35Å; V26-Y132 HydrophobicContact CG2-CD1 3.79Å; V26-Y132 HydrophobicContact CG2-CG 3.99Å; V26-E135 WeakPolarHBondContact CG1-OE1 3.26Å; V26-I136 HydrophobicContact CG2-CD1 4.21Å
27D98.1Very high96Very high42 Ų4246.5 Ų46.523%0.22523%0.225CC..  trans-87.253.3-169.7-160.234.2000113W25 L60 N61 R141W25-D27 PolarHBondContact O-N 2.96Å; D27-L60 HydrophobicContact CB-CD2 4.39Å; D27-L60 VanDerWaalsContact OD1-CA 3.26Å; D27-L60 WeakPolarHBondContact OD1-CA 3.06Å; D27-N61 PolarHBondContact O-ND2 3.28Å; D27-N61 PolarHBondContact OD1-N 3.41Å; D27-N61 PolarHBondContact OD1-ND2 2.95Å; D27-N61 PolarHBondContact OD2-ND2 3.23Å; D27-R141 IonicContact OD1-NH1 3.41Å; D27-R141 PolarHBondContact OD1-NH1 3.31Å; D27-R141 IonicContact OD2-CZ 3.79Å; D27-R141 VanDerWaalsContact OD2-CZ 3.22Å; D27-R141 IonicContact OD2-NH1 2.66Å; D27-R141 PolarHBondContact OD2-NH1 2.71Å; D27-R141 IonicContact OD2-NH2 3.63Å; D27-R141 PolarHBondContact OD2-NH2 2.89Å
28Q96.6Very high96.6Very high47 Ų4746 Ų4622%0.2222%0.222CC..PPolyproline II helixtrans-62.1140.4176.5-65.2-62.3-49.800111.3W16 C23 V26 R62W16-Q28 HydrophobicContact CB-CG 4.32Å; W16-Q28 VanDerWaalsContact CD1-CD 3.48Å; W16-Q28 HydrophobicContact CD2-CG 3.92Å; W16-Q28 HydrophobicContact CG-CG 3.76Å; C23-Q28 WeakPolarHBondContact SG-CG 3.41Å; V26-Q28 HydrophobicContact CG1-CG 3.87Å; V26-Q28 VanDerWaalsContact CG1-NE2 3.33Å; V26-Q28 PolarHBondContact O-N 3.19Å; Q28-R62 WeakPolarHBondContact O-CB 3.29Å
29K97.8Very high97.1Very high144 Ų14442.8 Ų42.863%0.62621%0.207SC*.PPolyproline II helixtrans-80.1164174.6-62.8-174.4177.6-176.40111.7G14 N61G14-K29 WeakPolarHBondContact CA-O 3.29Å; K29-N61 WeakPolarHBondContact CA-OD1 3.28Å
30L98.1Very high97.3Very high13 Ų1341.8 Ų41.87%0.06821%0.205CC..BIsolated β-bridgetrans-62145.2164.9-59.3177.1000109.9G12 E13 M35 R62 H65 L69G12-L30 WeakPolarHBondContact O-CD2 3.22Å; E13-L30 WeakPolarHBondContact O-CA 3.41Å; L30-M35 HydrophobicContact CB-CE 4.4Å; L30-M35 HydrophobicContact CB-CG 4.01Å; L30-M35 HydrophobicContact CD1-CG 4.36Å; L30-R62 HydrophobicContact CD2-CB 3.86Å; L30-R62 HydrophobicContact CG-CB 4.26Å; L30-H65 HydrophobicContact CD1-CB 3.86Å; L30-H65 HydrophobicContact CG-CB 4.47Å; L30-L69 HydrophobicContact CD1-CD1 4.14Å
31N97.3Very high97.6Very high24 Ų2440.8 Ų40.813%0.12820%0.199CC..  trans-88.1-179.9164.465.911.3000110E13 E33 G34 M35E13-N31 PolarHBondContact O-N 2.92Å; E13-N31 PolarHBondContact O-OD1 3.21Å; E13-N31 PolarHBondContact OE1-ND2 2.88Å; N31-E33 VanDerWaalsContact C-N 3.28Å; N31-E33 PolarHBondContact O-N 3.48Å; N31-E33 PolarHBondContact OD1-N 2.91Å; N31-G34 PolarHBondContact O-N 2.69Å; N31-G34 PolarHBondContact OD1-N 2.93Å; N31-M35 WeakPolarHBondContact O-CG 3.46Å; N31-M35 PolarHBondContact O-N 3.45Å
32S97.8Very high97.7Very high83 Ų8338.2 Ų38.258%0.5819%0.19SC*.Hα-helixtrans-54.4-44.4177.431.60000112.5M35 E36S32-M35 PolarHBondContact O-N 2.76Å; S32-E36 PolarHBondContact O-N 3.36Å; S32-E36 VanDerWaalsContact O-N 3.16Å
33E96.9Very high97.8Very high76 Ų7642.5 Ų42.536%0.35521%0.208SC..Hα-helixtrans-66-40.3-179.3-63.589.9146.600111.4K18 N31 M35 E36 E37K18-E33 IonicContact NZ-OE1 2.8Å; K18-E33 PolarHBondContact NZ-OE1 2.8Å; N31-E33 VanDerWaalsContact C-N 3.28Å; N31-E33 PolarHBondContact O-N 3.48Å; N31-E33 PolarHBondContact OD1-N 2.91Å; E33-M35 PolarHBondContact O-N 2.73Å; E33-E36 PolarHBondContact O-N 2.86Å; E33-E37 WeakPolarHBondContact O-CG 3.32Å; E33-E37 PolarHBondContact O-N 3.05Å
34G97.7Very high97.8Very high0 Ų045.2 Ų45.20%022%0.22CC..Hα-helixtrans-70-28.6176.700000114.2E13 N31 A38E13-G34 WeakPolarHBondContact O-CA 3.36Å; N31-G34 PolarHBondContact O-N 2.69Å; N31-G34 PolarHBondContact OD1-N 2.93Å; G34-A38 PolarHBondContact O-N 3.04Å; G34-A38 VanDerWaalsContact O-N 3.13Å
35M98.6Very high97.8Very high88 Ų8845.1 Ų45.143%0.43322%0.219SC..Hα-helixtrans-67.4-44.2170-67.3175.9-170.900110.6L30 N31 S32 E33 A38 R39 L69L30-M35 HydrophobicContact CB-CE 4.4Å; L30-M35 HydrophobicContact CB-CG 4.01Å; L30-M35 HydrophobicContact CD1-CG 4.36Å; N31-M35 WeakPolarHBondContact O-CG 3.46Å; N31-M35 PolarHBondContact O-N 3.45Å; S32-M35 PolarHBondContact O-N 2.76Å; E33-M35 PolarHBondContact O-N 2.73Å; M35-A38 PolarHBondContact O-N 3.34Å; M35-R39 WeakPolarHBondContact O-CG 3.43Å; M35-R39 PolarHBondContact O-N 2.68Å; M35-L69 HydrophobicContact CB-CD1 4.03Å; M35-L69 HydrophobicContact CG-CD1 4.14Å
36E98.2Very high97.8Very high93 Ų9350.4 Ų50.444%0.43524%0.243SC..Hα-helixtrans-65.9-39.8175.8-72.5-56.1120.600112.6S32 E33 A38 R39 N40S32-E36 PolarHBondContact O-N 3.36Å; S32-E36 VanDerWaalsContact O-N 3.16Å; E33-E36 PolarHBondContact O-N 2.86Å; E36-A38 VanDerWaalsContact C-N 3.31Å; E36-A38 PolarHBondContact O-N 3.32Å; E36-R39 PolarHBondContact O-N 3.49Å; E36-N40 WeakPolarHBondContact O-CB 3.5Å; E36-N40 PolarHBondContact O-N 3.44Å; E36-N40 PolarHBondContact O-ND2 2.93Å
37E97.7Very high97.7Very high45 Ų4554.2 Ų54.221%0.2127%0.274CS..Hα-helixtrans-54.4-46.7171.1-82.1-178.8175.600111.5G12 E13 E33 N40 C41 T214G12-E37 VanDerWaalsContact CA-OE2 3.22Å; G12-E37 WeakPolarHBondContact CA-OE2 3.23Å; E13-E37 PolarHBondContact N-OE2 3.04Å; E33-E37 WeakPolarHBondContact O-CG 3.32Å; E33-E37 PolarHBondContact O-N 3.05Å; E37-N40 PolarHBondContact O-N 2.87Å; E37-C41 PolarHBondContact O-N 2.86Å; E37-C41 PolarHBondContact O-SG 3.43Å; E37-T214 PolarHBondContact OE1-OG1 2.85Å; E37-T214 VanDerWaalsContact OE2-CB 3.25Å; E37-T214 WeakPolarHBondContact OE2-CB 3.43Å; E37-T214 PolarHBondContact OE2-OG1 3.4Å; E37-T214 VanDerWaalsContact OE2-OG1 3.09Å
38A98.6Very high97.6Very high0 Ų056.8 Ų56.80%029%0.288CS..Hα-helixtrans-65.9-42.1178.200000112.5G34 M35 E36 N40 C41 G42 T66 L69 I70G34-A38 PolarHBondContact O-N 3.04Å; G34-A38 VanDerWaalsContact O-N 3.13Å; M35-A38 PolarHBondContact O-N 3.34Å; E36-A38 VanDerWaalsContact C-N 3.31Å; E36-A38 PolarHBondContact O-N 3.32Å; A38-N40 VanDerWaalsContact C-N 3.33Å; A38-N40 PolarHBondContact O-N 2.98Å; A38-C41 WeakPolarHBondContact O-CB 3.36Å; A38-C41 PolarHBondContact O-N 3.03Å; A38-G42 PolarHBondContact O-N 2.76Å; A38-G42 VanDerWaalsContact O-N 3.13Å; A38-T66 HydrophobicContact CB-CG2 3.82Å; A38-L69 HydrophobicContact CB-CB 3.85Å; A38-L69 HydrophobicContact CB-CD1 3.78Å; A38-L69 HydrophobicContact CB-CG 4.48Å; A38-I70 VanDerWaalsContact O-CG1 3.29Å; A38-I70 WeakPolarHBondContact O-CG1 3.49Å
39R98.7Very high97.6Very high61 Ų6161.1 Ų61.123%0.2331%0.312CS..Hα-helixtrans-62.3-41.2174.4-70.7-174.2179-66.4-6.8111.7M35 E36 C41 G42 K43 L69 E72 E73M35-R39 WeakPolarHBondContact O-CG 3.43Å; M35-R39 PolarHBondContact O-N 2.68Å; E36-R39 PolarHBondContact O-N 3.49Å; R39-C41 VanDerWaalsContact C-N 3.34Å; R39-C41 PolarHBondContact O-N 2.82Å; R39-G42 PolarHBondContact O-N 3.29Å; R39-G42 VanDerWaalsContact O-N 3.12Å; R39-K43 WeakPolarHBondContact O-CG 3.27Å; R39-K43 PolarHBondContact O-N 3.24Å; R39-L69 HydrophobicContact CG-CB 4.37Å; R39-L69 HydrophobicContact CG-CD2 4.27Å; R39-L69 VanDerWaalsContact CZ-CD2 3.5Å; R39-E72 IonicContact CZ-OE2 3.02Å; R39-E72 VanDerWaalsContact CZ-OE2 3.31Å; R39-E72 IonicContact NH1-OE2 2.69Å; R39-E72 PolarHBondContact NH1-OE2 2.94Å; R39-E72 IonicContact NH2-OE2 3.99Å; R39-E72 PolarHBondContact NH2-OE2 2.81Å; R39-E73 HydrophobicContact CB-CG 4.12Å; R39-E73 WeakPolarHBondContact CD-OE1 3.35Å; R39-E73 HydrophobicContact CG-CG 4.3Å; R39-E73 WeakPolarHBondContact CG-OE1 3.24Å; R39-E73 IonicContact CZ-OE1 2.79Å; R39-E73 IonicContact NH1-OE1 2.69Å; R39-E73 PolarHBondContact NH1-OE1 3.29Å
40N97.4Very high97.6Very high73 Ų7355.5 Ų55.539%0.3929%0.288SS..Hα-helixtrans-65.5-37.5177.9-70-25.7000112.1E36 E37 A38 G42 K43 Q44E36-N40 WeakPolarHBondContact O-CB 3.5Å; E36-N40 PolarHBondContact O-N 3.44Å; E36-N40 PolarHBondContact O-ND2 2.93Å; E37-N40 PolarHBondContact O-N 2.87Å; A38-N40 VanDerWaalsContact C-N 3.33Å; A38-N40 PolarHBondContact O-N 2.98Å; N40-G42 VanDerWaalsContact C-N 3.32Å; N40-G42 PolarHBondContact O-N 3.34Å; N40-K43 PolarHBondContact O-N 2.96Å; N40-K43 PolarHBondContact OD1-NZ 3.48Å; N40-Q44 VanDerWaalsContact O-CG 3.28Å; N40-Q44 WeakPolarHBondContact O-CG 3.19Å; N40-Q44 PolarHBondContact O-N 2.9Å
41C98.2Very high97.6Very high0 Ų062.1 Ų62.10%032%0.318CS..Hα-helixtrans-55.6-48.3168.9-68.10000111.2E37 A38 R39 K43 Q44 L45 I70 G215 P217E37-C41 PolarHBondContact O-N 2.86Å; E37-C41 PolarHBondContact O-SG 3.43Å; A38-C41 WeakPolarHBondContact O-CB 3.36Å; A38-C41 PolarHBondContact O-N 3.03Å; R39-C41 VanDerWaalsContact C-N 3.34Å; R39-C41 PolarHBondContact O-N 2.82Å; C41-K43 PolarHBondContact O-N 2.88Å; C41-Q44 PolarHBondContact O-N 3.25Å; C41-L45 WeakPolarHBondContact O-CB 3.45Å; C41-L45 VanDerWaalsContact O-CG 3.26Å; C41-L45 WeakPolarHBondContact O-CG 3.18Å; C41-L45 PolarHBondContact O-N 2.94Å; C41-I70 HydrophobicContact CB-CD1 3.8Å; C41-I70 HydrophobicContact CB-CG1 3.84Å; C41-G215 PolarHBondContact SG-O 2.92Å; C41-P217 HydrophobicContact CB-CG 3.91Å
42G98.4Very high97.6Very high0 Ų061.2 Ų61.20%031%0.313CS..Hα-helixtrans-58.9-45.617800000112.8A38 R39 N40 Q44 L45 K46A38-G42 PolarHBondContact O-N 2.76Å; A38-G42 VanDerWaalsContact O-N 3.13Å; R39-G42 PolarHBondContact O-N 3.29Å; R39-G42 VanDerWaalsContact O-N 3.12Å; N40-G42 VanDerWaalsContact C-N 3.32Å; N40-G42 PolarHBondContact O-N 3.34Å; G42-Q44 PolarHBondContact O-N 2.74Å; G42-L45 PolarHBondContact O-N 3.08Å; G42-K46 WeakPolarHBondContact O-CB 3.27Å; G42-K46 PolarHBondContact O-N 2.89Å
43K97.9Very high97.7Very high91 Ų9159.9 Ų59.940%0.39630%0.3SS..Hα-helixtrans-61-42.6176.2-66.8168.5-168.5163.80112.7R39 N40 C41 K46 A47 E73R39-K43 WeakPolarHBondContact O-CG 3.27Å; R39-K43 PolarHBondContact O-N 3.24Å; N40-K43 PolarHBondContact O-N 2.96Å; N40-K43 PolarHBondContact OD1-NZ 3.48Å; C41-K43 PolarHBondContact O-N 2.88Å; K43-K46 PolarHBondContact O-N 2.91Å; K43-A47 PolarHBondContact O-N 3.18Å; K43-E73 WeakPolarHBondContact CE-OE2 3.11Å; K43-E73 WeakPolarHBondContact CG-OE2 3.37Å
44Q96.1Very high97.8Very high63 Ų6357.9 Ų57.929%0.29429%0.291SS..Hα-helixtrans-63.6-47.1177.2-71.9169-36.500111.4N40 C41 G42 K46 A47 L48N40-Q44 VanDerWaalsContact O-CG 3.28Å; N40-Q44 WeakPolarHBondContact O-CG 3.19Å; N40-Q44 PolarHBondContact O-N 2.9Å; C41-Q44 PolarHBondContact O-N 3.25Å; G42-Q44 PolarHBondContact O-N 2.74Å; Q44-K46 VanDerWaalsContact C-N 3.3Å; Q44-K46 PolarHBondContact O-N 3.43Å; Q44-A47 PolarHBondContact O-N 2.7Å; Q44-L48 WeakPolarHBondContact O-CG 3.08Å; Q44-L48 PolarHBondContact O-N 3.2Å
45L97.4Very high97.8Very high0 Ų058 Ų580%029%0.292CS..Hα-helixtrans-64.2-37.3178.4-67.6169.6000111.4I7 C41 G42 L48 N49 F50 F52 I70 L74 P217 L235I7-L45 HydrophobicContact CD1-CD2 4.18Å; I7-L45 HydrophobicContact CG1-CD2 4.06Å; I7-L45 HydrophobicContact CG2-CD1 4.41Å; I7-L45 HydrophobicContact CG2-CD2 4.21Å; C41-L45 WeakPolarHBondContact O-CB 3.45Å; C41-L45 VanDerWaalsContact O-CG 3.26Å; C41-L45 WeakPolarHBondContact O-CG 3.18Å; C41-L45 PolarHBondContact O-N 2.94Å; G42-L45 PolarHBondContact O-N 3.08Å; L45-L48 CarbonylContact O-C 3.55Å; L45-L48 PolarHBondContact O-N 3.49Å; L45-N49 PolarHBondContact O-N 3.04Å; L45-F50 HydrophobicContact CB-CB 4.25Å; L45-F50 HydrophobicContact CD2-CD2 3.82Å; L45-F50 HydrophobicContact CD2-CE2 4.19Å; L45-F50 HydrophobicContact CD2-CG 4.13Å; L45-F50 PolarHBondContact O-N 3.19Å; L45-F50 VanDerWaalsContact O-N 3.07Å; L45-F52 HydrophobicContact CD1-CE2 4.06Å; L45-F52 HydrophobicContact CD1-CZ 4.02Å; L45-F52 HydrophobicContact CD2-CZ 4.4Å; L45-I70 HydrophobicContact CD1-CG2 3.94Å; L45-L74 HydrophobicContact CB-CD2 4.13Å; L45-P217 HydrophobicContact CD1-CG 4.44Å; L45-P217 HydrophobicContact CD2-CB 4.18Å; L45-P217 HydrophobicContact CD2-CG 4.46Å; L45-P217 HydrophobicContact CG-CG 4.29Å; L45-L235 HydrophobicContact CD2-CD1 4.17Å
46K97.8Very high97.8Very high114 Ų11454 Ų5450%0.49627%0.272SS..Hα-helixtrans-61.7-45.8173.9-167.5-178.5-159.7153.20111.9G42 K43 Q44 L48 N49 E73 L74G42-K46 WeakPolarHBondContact O-CB 3.27Å; G42-K46 PolarHBondContact O-N 2.89Å; K43-K46 PolarHBondContact O-N 2.91Å; Q44-K46 VanDerWaalsContact C-N 3.3Å; Q44-K46 PolarHBondContact O-N 3.43Å; K46-L48 PolarHBondContact O-N 3.34Å; K46-N49 PolarHBondContact O-N 3.05Å; K46-E73 WeakPolarHBondContact CD-O 3.48Å; K46-E73 WeakPolarHBondContact CE-O 3.4Å; K46-E73 PolarHBondContact NZ-O 2.9Å; K46-L74 HydrophobicContact CB-CD2 3.77Å; K46-L74 HydrophobicContact CG-CD2 4.39Å
47A96.5Very high97.9Very high81 Ų8149.5 Ų49.567%0.66925%0.251SS*.Hα-helixtrans-62.7-25.4178.200000112.8K43 Q44 N49K43-A47 PolarHBondContact O-N 3.18Å; Q44-A47 PolarHBondContact O-N 2.7Å; A47-N49 VanDerWaalsContact C-N 3.34Å
48L95.3Very high97.9Very high97 Ų9747.4 Ų47.451%0.50824%0.241SC..THydrogen-bonded Turntrans-904.9174.8-65.7173.4000113.5Q44 L45 K46 F50 L235Q44-L48 WeakPolarHBondContact O-CG 3.08Å; Q44-L48 PolarHBondContact O-N 3.2Å; L45-L48 CarbonylContact O-C 3.55Å; L45-L48 PolarHBondContact O-N 3.49Å; K46-L48 PolarHBondContact O-N 3.34Å; L48-F50 VanDerWaalsContact C-N 3.31Å; L48-F50 HydrophobicContact CB-CD2 3.85Å; L48-F50 HydrophobicContact CB-CE2 4.16Å; L48-F50 HydrophobicContact CD1-CE2 4.36Å; L48-F50 PolarHBondContact O-N 2.95Å; L48-L235 HydrophobicContact CD1-CD1 3.82Å; L48-L235 HydrophobicContact CD1-CD2 4.49Å
49N96.6Very high97.9Very high138 Ų13848.5 Ų48.574%0.73825%0.248SC*.THydrogen-bonded Turntrans55.141.1-177.6-53.9-65.3000113.4L45 K46 A47 E51L45-N49 PolarHBondContact O-N 3.04Å; K46-N49 PolarHBondContact O-N 3.05Å; A47-N49 VanDerWaalsContact C-N 3.34Å; N49-E51 PolarHBondContact O-N 2.86Å
50F97.6Very high97.9Very high26 Ų2645.6 Ų45.611%0.11424%0.237CC..  trans-69.3127.7172.1-94.6-89.4000111.2I7 L45 L48 F52 Q76 T182 L219I7-F50 HydrophobicContact CD1-CE1 3.85Å; I7-F50 HydrophobicContact CD1-CE2 4.14Å; I7-F50 HydrophobicContact CD1-CZ 3.54Å; I7-F50 HydrophobicContact CG1-CD1 3.95Å; I7-F50 HydrophobicContact CG1-CE1 3.43Å; I7-F50 VanDerWaalsContact CG1-CE1 3.43Å; I7-F50 HydrophobicContact CG1-CE2 4.39Å; I7-F50 HydrophobicContact CG1-CZ 3.69Å; L45-F50 HydrophobicContact CB-CB 4.25Å; L45-F50 HydrophobicContact CD2-CD2 3.82Å; L45-F50 HydrophobicContact CD2-CE2 4.19Å; L45-F50 HydrophobicContact CD2-CG 4.13Å; L45-F50 PolarHBondContact O-N 3.19Å; L45-F50 VanDerWaalsContact O-N 3.07Å; L48-F50 VanDerWaalsContact C-N 3.31Å; L48-F50 HydrophobicContact CB-CD2 3.85Å; L48-F50 HydrophobicContact CB-CE2 4.16Å; L48-F50 HydrophobicContact CD1-CE2 4.36Å; L48-F50 PolarHBondContact O-N 2.95Å; F50-F52 HydrophobicContact CB-CE2 4.03Å; F50-F52 HydrophobicContact CB-CZ 4.1Å; F50-F52 AromaticContact CD1-CE1 3.92Å; F50-F52 HydrophobicContact CD1-CE1 3.92Å; F50-F52 AromaticContact CD1-CZ 3.86Å; F50-F52 HydrophobicContact CD1-CZ 3.86Å; F50-F52 HydrophobicContact CG-CZ 4.18Å; F50-Q76 PolarHBondContact O-NE2 3.43Å; F50-T182 HydrophobicContact CD1-CG2 3.87Å; F50-T182 HydrophobicContact CE1-CG2 4.11Å; F50-L219 HydrophobicContact CZ-CD1 4.39Å
51E98.3Very high98Very high152 Ų15243.2 Ų43.271%0.7122%0.224SC*.  trans-116.2106.8171.5-65-176.9155.400108.2N49 T182N49-E51 PolarHBondContact O-N 2.86Å; E51-T182 WeakPolarHBondContact O-CB 3.35Å; E51-T182 WeakPolarHBondContact O-CG2 3.49Å; E51-T182 PolarHBondContact O-OG1 2.96Å
52F98.6Very high98Very high5 Ų543.3 Ų43.32%0.02223%0.225CC..  trans-85140.1-179.3-67.4-70000111.3I7 L45 F50 L74 V79 T182 L184I7-F52 HydrophobicContact CB-CE1 3.96Å; I7-F52 HydrophobicContact CB-CZ 4.08Å; I7-F52 HydrophobicContact CG1-CE1 4Å; I7-F52 HydrophobicContact CG1-CZ 4.01Å; I7-F52 HydrophobicContact CG2-CZ 4.44Å; L45-F52 HydrophobicContact CD1-CE2 4.06Å; L45-F52 HydrophobicContact CD1-CZ 4.02Å; L45-F52 HydrophobicContact CD2-CZ 4.4Å; F50-F52 HydrophobicContact CB-CE2 4.03Å; F50-F52 HydrophobicContact CB-CZ 4.1Å; F50-F52 AromaticContact CD1-CE1 3.92Å; F50-F52 HydrophobicContact CD1-CE1 3.92Å; F50-F52 AromaticContact CD1-CZ 3.86Å; F50-F52 HydrophobicContact CD1-CZ 3.86Å; F50-F52 HydrophobicContact CG-CZ 4.18Å; F52-L74 HydrophobicContact CD2-CD1 3.73Å; F52-L74 HydrophobicContact CE2-CD1 3.61Å; F52-V79 HydrophobicContact CB-CG1 4.22Å; F52-V79 WeakPolarHBondContact O-CG2 3.47Å; F52-T182 HydrophobicContact CD1-CG2 3.85Å; F52-T182 HydrophobicContact CE1-CG2 4.1Å; F52-L184 HydrophobicContact CD1-CB 3.69Å; F52-L184 HydrophobicContact CE1-CB 3.67Å; F52-L184 HydrophobicContact CE1-CD1 4.4Å; F52-L184 HydrophobicContact CE2-CD2 4.47Å; F52-L184 HydrophobicContact CG-CB 4.15Å; F52-L184 HydrophobicContact CZ-CB 4.11Å; F52-L184 HydrophobicContact CZ-CD1 4.2Å
53D98.7Very high98Very high55 Ų5543.3 Ų43.329%0.29423%0.225SC..SBendtrans-95.3-32.9173-71.9-86.8000112.1K181 T182D53-K181 HydrophobicContact CB-CB 3.94Å; D53-K181 HydrophobicContact CB-CD 3.75Å; D53-K181 HydrophobicContact CB-CG 4.3Å; D53-K181 VanDerWaalsContact CG-CD 3.5Å; D53-K181 WeakPolarHBondContact OD1-CD 3.17Å; D53-K181 IonicContact OD1-NZ 2.77Å; D53-K181 PolarHBondContact OD1-NZ 3.32Å; D53-K181 WeakPolarHBondContact OD2-CA 3.14Å; D53-T182 PolarHBondContact N-O 2.87Å; D53-T182 PolarHBondContact OD2-N 2.82Å
54L98.8Very high98.1Very high34 Ų3440.4 Ų40.418%0.17821%0.213CC..EExtended strand (participates in β ladder)trans-150.6147.1-178.3-65.4172.3000111.1F56 P80 E176 I183 L184L54-F56 HydrophobicContact CB-CE2 4.13Å; L54-F56 HydrophobicContact CD1-CE2 4.38Å; L54-F56 HydrophobicContact CD1-CZ 4.35Å; L54-P80 HydrophobicContact CD2-CB 3.79Å; L54-P80 HydrophobicContact CD2-CG 4.03Å; L54-E176 HydrophobicContact CD1-CB 3.96Å; L54-E176 HydrophobicContact CD1-CG 3.47Å; L54-E176 VanDerWaalsContact CD1-CG 3.47Å; L54-E176 WeakPolarHBondContact CD1-OE2 3.46Å; L54-I183 HydrophobicContact CB-CD1 3.73Å; L54-I183 HydrophobicContact CD1-CD1 4.09Å; L54-I183 HydrophobicContact CG-CD1 4.33Å; L54-L184 PolarHBondContact O-N 2.82Å
55V98.9Very high98.2Very high1 Ų140.9 Ų40.91%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-118.7133.4171.7-176.20000110.4T57 A67 L71 V79 P80 V81 E82 L184V55-T57 HydrophobicContact CG1-CG2 3.99Å; V55-A67 HydrophobicContact CG1-CB 3.9Å; V55-L71 HydrophobicContact CG2-CD1 3.99Å; V55-L71 HydrophobicContact CG2-CD2 3.91Å; V55-L71 HydrophobicContact CG2-CG 4.3Å; V55-V79 HydrophobicContact CG2-CG1 3.97Å; V55-P80 PolarHBondContact N-O 2.93Å; V55-V81 HydrophobicContact CB-CG1 4.34Å; V55-V81 HydrophobicContact CB-CG2 4.15Å; V55-V81 HydrophobicContact CG1-CG1 4.33Å; V55-V81 CarbonylContact O-C 3.56Å; V55-V81 WeakPolarHBondContact O-CA 3.49Å; V55-E82 PolarHBondContact O-N 3.25Å; V55-L184 CarbonylContact C-O 3.57Å; V55-L184 WeakPolarHBondContact CA-O 3.21Å; V55-L184 HydrophobicContact CB-CB 4.47Å; V55-L184 HydrophobicContact CG1-CB 4.24Å; V55-L184 HydrophobicContact CG1-CD2 4.07Å; V55-L184 HydrophobicContact CG1-CG 4.17Å; V55-L184 HydrophobicContact CG2-CB 4.07Å; V55-L184 HydrophobicContact CG2-CD2 4.13Å
56F98.9Very high98.3Very high4 Ų440.9 Ų40.92%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-113.5134.9170.4-63.9-88.3000110.8L54 E82 L87 Y168 R172 I173 E176 I183 L184 I185 S186L54-F56 HydrophobicContact CB-CE2 4.13Å; L54-F56 HydrophobicContact CD1-CE2 4.38Å; L54-F56 HydrophobicContact CD1-CZ 4.35Å; F56-E82 CarbonylContact C-O 3.58Å; F56-E82 VanDerWaalsContact CA-O 3.31Å; F56-E82 WeakPolarHBondContact CA-O 3.42Å; F56-E82 HydrophobicContact CD1-CB 3.9Å; F56-E82 HydrophobicContact CD1-CG 4.49Å; F56-E82 HydrophobicContact CE1-CB 4.02Å; F56-E82 HydrophobicContact CE1-CG 4.49Å; F56-L87 HydrophobicContact CB-CD1 3.83Å; F56-Y168 AromaticContact CD1-CE1 3.97Å; F56-Y168 HydrophobicContact CD1-CE1 3.97Å; F56-R172 WeakPolarHBondContact CZ-O 3.38Å; F56-I173 HydrophobicContact CB-CD1 4.2Å; F56-I173 HydrophobicContact CD1-CD1 4.3Å; F56-I173 HydrophobicContact CD1-CG1 3.93Å; F56-I173 HydrophobicContact CD2-CD1 4.24Å; F56-I173 HydrophobicContact CD2-CG1 3.94Å; F56-I173 HydrophobicContact CD2-CG2 4.22Å; F56-I173 HydrophobicContact CE1-CG1 3.96Å; F56-I173 HydrophobicContact CE2-CB 4.34Å; F56-I173 HydrophobicContact CE2-CG1 3.97Å; F56-I173 HydrophobicContact CE2-CG2 4.12Å; F56-I173 HydrophobicContact CG-CD1 3.99Å; F56-I173 HydrophobicContact CG-CG1 3.91Å; F56-I173 HydrophobicContact CZ-CG1 3.98Å; F56-E176 HydrophobicContact CZ-CG 4.36Å; F56-I183 HydrophobicContact CD2-CG2 3.55Å; F56-I183 HydrophobicContact CE2-CD1 4.29Å; F56-I183 HydrophobicContact CE2-CG2 3.81Å; F56-L184 PolarHBondContact N-O 2.85Å; F56-I185 HydrophobicContact CB-CG1 4.46Å; F56-I185 CarbonylContact O-C 3.57Å; F56-I185 WeakPolarHBondContact O-CA 3.47Å; F56-S186 PolarHBondContact O-N 3.34Å
57T99Very high98.3Very high0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-131.3169177.577.80000112V55 I64 A67 V81 E82 S83 S84 L87 S186V55-T57 HydrophobicContact CG1-CG2 3.99Å; T57-I64 WeakPolarHBondContact OG1-CG1 3.29Å; T57-A67 HydrophobicContact CG2-CB 3.83Å; T57-V81 HydrophobicContact CG2-CG1 3.96Å; T57-E82 PolarHBondContact N-O 2.83Å; T57-S83 WeakPolarHBondContact O-CA 3.34Å; T57-S83 WeakPolarHBondContact OG1-CB 3.36Å; T57-S83 PolarHBondContact OG1-OG 3.38Å; T57-S84 PolarHBondContact O-N 2.9Å; T57-L87 WeakPolarHBondContact O-CD1 3.38Å; T57-S186 VanDerWaalsContact CA-O 3.29Å; T57-S186 WeakPolarHBondContact CA-O 3.18Å
58S98.9Very high98.4Very high0 Ų038 Ų380%018%0.184CC..  trans-75.7177.6162.584.70000112L60 S63 I64 S84 L87 N88 H188S58-L60 VanDerWaalsContact C-N 3.29Å; S58-L60 WeakPolarHBondContact OG-CB 3.4Å; S58-L60 PolarHBondContact OG-N 2.87Å; S58-S63 PolarHBondContact N-OG 2.65Å; S58-S63 PolarHBondContact OG-OG 3.08Å; S58-I64 WeakPolarHBondContact O-CG1 3.4Å; S58-S84 VanDerWaalsContact CA-O 3.3Å; S58-S84 WeakPolarHBondContact CA-O 3.34Å; S58-L87 VanDerWaalsContact CB-C 3.48Å; S58-L87 WeakPolarHBondContact CB-O 3.11Å; S58-N88 WeakPolarHBondContact CB-OD1 3.44Å; S58-H188 VanDerWaalsContact CB-NE2 3.32Å; S58-H188 WeakPolarHBondContact CB-NE2 3.42Å; S58-H188 PolarHBondContact OG-NE2 2.9Å
59V98.9Very high98.6Very high24 Ų2434.5 Ų34.515%0.14517%0.165CC..SBendtrans-850.9168.6-61.60000113.4W85 N88 R141 Y142V59-W85 HydrophobicContact CG2-CB 4.03Å; V59-N88 VanDerWaalsContact CG2-OD1 3.28Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.22Å; V59-N88 PolarHBondContact N-OD1 2.76Å; V59-R141 HydrophobicContact CG2-CG 4.29Å; V59-R141 PolarHBondContact O-NH1 2.82Å; V59-Y142 HydrophobicContact CG2-CE1 3.99Å
60L98.7Very high98.7Very high0 Ų027.9 Ų27.90%013%0.13CC..SBendtrans-86.6127176.5-59.7172.5000110.1W25 D27 S58 R62 S63 N88 E89W25-L60 WeakPolarHBondContact O-CD2 3.39Å; D27-L60 HydrophobicContact CB-CD2 4.39Å; D27-L60 VanDerWaalsContact OD1-CA 3.26Å; D27-L60 WeakPolarHBondContact OD1-CA 3.06Å; S58-L60 VanDerWaalsContact C-N 3.29Å; S58-L60 WeakPolarHBondContact OG-CB 3.4Å; S58-L60 PolarHBondContact OG-N 2.87Å; L60-R62 VanDerWaalsContact C-N 3.25Å; L60-R62 VanDerWaalsContact CD1-NH2 3.29Å; L60-R62 PolarHBondContact O-N 2.8Å; L60-R62 VanDerWaalsContact O-N 3.12Å; L60-S63 PolarHBondContact O-N 3.07Å; L60-S63 PolarHBondContact O-OG 3.43Å; L60-N88 HydrophobicContact CD1-CB 4.19Å; L60-E89 HydrophobicContact CD1-CB 4.4Å
61N98.5Very high98.8Very high22 Ų2226.9 Ų26.912%0.11813%0.126CC..Hα-helixtrans-59.9-33.8-163.975.567.1000112.8D27 K29 S63 I64 H65D27-N61 PolarHBondContact O-ND2 3.28Å; D27-N61 PolarHBondContact OD1-N 3.41Å; D27-N61 PolarHBondContact OD1-ND2 2.95Å; D27-N61 PolarHBondContact OD2-ND2 3.23Å; K29-N61 WeakPolarHBondContact CA-OD1 3.28Å; N61-S63 PolarHBondContact O-N 3.43Å; N61-I64 WeakPolarHBondContact O-CB 3.31Å; N61-I64 PolarHBondContact O-N 3Å; N61-I64 VanDerWaalsContact O-N 3.07Å; N61-H65 WeakPolarHBondContact O-CB 3.35Å; N61-H65 PolarHBondContact O-CD2 3.1Å; N61-H65 VanDerWaalsContact O-CD2 3.25Å; N61-H65 PolarHBondContact O-N 3.22Å
62R98.5Very high98.8Very high3 Ų324 Ų241%0.01111%0.112CC..Hα-helixtrans-57.7-35.1177.458.6-170.2-175.3-97.20.4113.4H11 S24 V26 Q28 L30 L60 T66 H188H11-R62 HydrophobicContact CB-CB 4.46Å; H11-R62 HydrophobicContact CB-CG 4.39Å; H11-R62 VanDerWaalsContact CE1-CD 3.41Å; H11-R62 WeakPolarHBondContact CE1-CD 3.3Å; H11-R62 WeakPolarHBondContact NE2-CD 3.34Å; H11-R62 PolarHBondContact NE2-NE 3.27Å; H11-R62 VanDerWaalsContact NE2-NE 3.13Å; S24-R62 PolarHBondContact O-NH2 3.15Å; V26-R62 PolarHBondContact O-NH1 2.89Å; Q28-R62 WeakPolarHBondContact O-CB 3.29Å; L30-R62 HydrophobicContact CD2-CB 3.86Å; L30-R62 HydrophobicContact CG-CB 4.26Å; L60-R62 VanDerWaalsContact C-N 3.25Å; L60-R62 VanDerWaalsContact CD1-NH2 3.29Å; L60-R62 PolarHBondContact O-N 2.8Å; L60-R62 VanDerWaalsContact O-N 3.12Å; R62-T66 WeakPolarHBondContact O-CB 3.38Å; R62-T66 PolarHBondContact O-N 3.12Å; R62-T66 VanDerWaalsContact O-N 3.1Å; R62-T66 PolarHBondContact O-OG1 3.38Å; R62-H188 PolarHBondContact NE-CE1 2.77Å; R62-H188 VanDerWaalsContact NE-CE1 3.34Å; R62-H188 PolarHBondContact NE-ND1 3.06Å; R62-H188 PolarHBondContact NH2-CE1 2.95Å; R62-H188 VanDerWaalsContact NH2-CE1 3.31Å; R62-H188 PolarHBondContact NH2-ND1 3.42Å; R62-H188 VanDerWaalsContact NH2-ND1 3.18Å
63S98.8Very high98.8Very high0 Ų025.7 Ų25.70%012%0.12CC..Hα-helixtrans-74.5-37175.869.70000112.4S58 L60 N61 A67 S186S58-S63 PolarHBondContact N-OG 2.65Å; S58-S63 PolarHBondContact OG-OG 3.08Å; L60-S63 PolarHBondContact O-N 3.07Å; L60-S63 PolarHBondContact O-OG 3.43Å; N61-S63 PolarHBondContact O-N 3.43Å; S63-A67 PolarHBondContact O-N 3.17Å; S63-A67 VanDerWaalsContact O-N 3.09Å; S63-S186 WeakPolarHBondContact CB-O 3.35Å; S63-S186 WeakPolarHBondContact O-CB 3.39Å; S63-S186 PolarHBondContact O-OG 3.01Å
64I98.9Very high98.8Very high29 Ų2923.9 Ų23.915%0.14911%0.111CC..Hα-helixtrans-66.8-50.6177.4-63168.7000109.9T57 S58 N61 T66 A67 W68T57-I64 WeakPolarHBondContact OG1-CG1 3.29Å; S58-I64 WeakPolarHBondContact O-CG1 3.4Å; N61-I64 WeakPolarHBondContact O-CB 3.31Å; N61-I64 PolarHBondContact O-N 3Å; N61-I64 VanDerWaalsContact O-N 3.07Å; I64-T66 VanDerWaalsContact C-N 3.33Å; I64-T66 PolarHBondContact O-N 3.41Å; I64-A67 WeakPolarHBondContact O-CB 3.43Å; I64-A67 PolarHBondContact O-N 2.9Å; I64-W68 HydrophobicContact CG2-CD2 3.96Å; I64-W68 HydrophobicContact CG2-CG 4.49Å; I64-W68 HydrophobicContact CG2-CH2 4.09Å; I64-W68 HydrophobicContact CG2-CZ2 3.44Å; I64-W68 VanDerWaalsContact CG2-CZ2 3.44Å; I64-W68 PolarHBondContact O-N 3.47Å
65H98.8Very high98.8Very high73 Ų7324.2 Ų24.234%0.33812%0.123SC..Hα-helixtrans-62.2-38.3177.6-79.2-69.3000112.4L30 N61 A67 W68 L69L30-H65 HydrophobicContact CD1-CB 3.86Å; L30-H65 HydrophobicContact CG-CB 4.47Å; N61-H65 WeakPolarHBondContact O-CB 3.35Å; N61-H65 PolarHBondContact O-CD2 3.1Å; N61-H65 VanDerWaalsContact O-CD2 3.25Å; N61-H65 PolarHBondContact O-N 3.22Å; H65-A67 VanDerWaalsContact C-N 3.32Å; H65-A67 PolarHBondContact O-N 3.1Å; H65-W68 AromaticContact CE1-CE3 3.86Å; H65-W68 AromaticContact CE1-CZ3 3.55Å; H65-W68 AromaticContact ND1-CE3 3.55Å; H65-W68 AromaticContact ND1-CZ3 3.75Å; H65-W68 PolarHBondContact O-N 2.99Å; H65-L69 VanDerWaalsContact O-CG 3.29Å; H65-L69 WeakPolarHBondContact O-CG 3.35Å; H65-L69 PolarHBondContact O-N 3.44Å
66T98.9Very high98.8Very high0 Ų025.1 Ų25.10%013%0.127CC..Hα-helixtrans-59.6-44.5171.9-68.80000111.3L9 G12 A38 R62 I64 L69 I70L9-T66 HydrophobicContact CD1-CG2 3.6Å; L9-T66 HydrophobicContact CG-CG2 4.49Å; G12-T66 PolarHBondContact N-OG1 3.21Å; A38-T66 HydrophobicContact CB-CG2 3.82Å; R62-T66 WeakPolarHBondContact O-CB 3.38Å; R62-T66 PolarHBondContact O-N 3.12Å; R62-T66 VanDerWaalsContact O-N 3.1Å; R62-T66 PolarHBondContact O-OG1 3.38Å; I64-T66 VanDerWaalsContact C-N 3.33Å; I64-T66 PolarHBondContact O-N 3.41Å; T66-L69 PolarHBondContact O-N 2.96Å; T66-I70 HydrophobicContact CG2-CD1 3.89Å; T66-I70 VanDerWaalsContact O-CG1 3.32Å; T66-I70 WeakPolarHBondContact O-CG1 3.4Å; T66-I70 PolarHBondContact O-N 2.97Å; T66-I70 VanDerWaalsContact O-N 3.09Å
67A98.9Very high98.8Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-63.6-43.6177.300000112.4V55 T57 S63 I64 H65 L69 I70 L71V55-A67 HydrophobicContact CG1-CB 3.9Å; T57-A67 HydrophobicContact CG2-CB 3.83Å; S63-A67 PolarHBondContact O-N 3.17Å; S63-A67 VanDerWaalsContact O-N 3.09Å; I64-A67 WeakPolarHBondContact O-CB 3.43Å; I64-A67 PolarHBondContact O-N 2.9Å; H65-A67 VanDerWaalsContact C-N 3.32Å; H65-A67 PolarHBondContact O-N 3.1Å; A67-L69 PolarHBondContact O-N 2.91Å; A67-I70 PolarHBondContact O-N 3.11Å; A67-L71 WeakPolarHBondContact O-CG 3.44Å; A67-L71 PolarHBondContact O-N 3.42Å
68W98.9Very high98.8Very high135 Ų13539.6 Ų39.651%0.51119%0.186SC..Hα-helixtrans-59.4-45.3177.8-67.4-10000112.4I64 H65 I70 L71 E72I64-W68 HydrophobicContact CG2-CD2 3.96Å; I64-W68 HydrophobicContact CG2-CG 4.49Å; I64-W68 HydrophobicContact CG2-CH2 4.09Å; I64-W68 HydrophobicContact CG2-CZ2 3.44Å; I64-W68 VanDerWaalsContact CG2-CZ2 3.44Å; I64-W68 PolarHBondContact O-N 3.47Å; H65-W68 AromaticContact CE1-CE3 3.86Å; H65-W68 AromaticContact CE1-CZ3 3.55Å; H65-W68 AromaticContact ND1-CE3 3.55Å; H65-W68 AromaticContact ND1-CZ3 3.75Å; H65-W68 PolarHBondContact O-N 2.99Å; W68-I70 VanDerWaalsContact C-N 3.31Å; W68-I70 PolarHBondContact O-N 3.06Å; W68-L71 PolarHBondContact O-N 3.16Å; W68-E72 WeakPolarHBondContact O-CB 3.32Å; W68-E72 PolarHBondContact O-N 2.85Å
69L98.9Very high98.8Very high23 Ų2339.8 Ų39.812%0.1219%0.187CC..Hα-helixtrans-64.3-36.2177.3-68.3168.4000111.9L30 M35 A38 R39 H65 T66 A67 E73L30-L69 HydrophobicContact CD1-CD1 4.14Å; M35-L69 HydrophobicContact CB-CD1 4.03Å; M35-L69 HydrophobicContact CG-CD1 4.14Å; A38-L69 HydrophobicContact CB-CB 3.85Å; A38-L69 HydrophobicContact CB-CD1 3.78Å; A38-L69 HydrophobicContact CB-CG 4.48Å; R39-L69 HydrophobicContact CG-CB 4.37Å; R39-L69 HydrophobicContact CG-CD2 4.27Å; R39-L69 VanDerWaalsContact CZ-CD2 3.5Å; H65-L69 VanDerWaalsContact O-CG 3.29Å; H65-L69 WeakPolarHBondContact O-CG 3.35Å; H65-L69 PolarHBondContact O-N 3.44Å; T66-L69 PolarHBondContact O-N 2.96Å; A67-L69 PolarHBondContact O-N 2.91Å; L69-E73 WeakPolarHBondContact O-CG 3.34Å; L69-E73 PolarHBondContact O-N 3.3Å
70I98.9Very high98.8Very high0 Ų042.1 Ų42.10%020%0.203CC..Hα-helixtrans-64.8-47.9174.4-72.6168.6000110.9L9 A38 C41 L45 T66 A67 W68 E72 E73 L74 L184L9-I70 HydrophobicContact CD1-CD1 3.73Å; L9-I70 HydrophobicContact CD2-CD1 3.83Å; L9-I70 HydrophobicContact CG-CD1 4.46Å; A38-I70 VanDerWaalsContact O-CG1 3.29Å; A38-I70 WeakPolarHBondContact O-CG1 3.49Å; C41-I70 HydrophobicContact CB-CD1 3.8Å; C41-I70 HydrophobicContact CB-CG1 3.84Å; L45-I70 HydrophobicContact CD1-CG2 3.94Å; T66-I70 HydrophobicContact CG2-CD1 3.89Å; T66-I70 VanDerWaalsContact O-CG1 3.32Å; T66-I70 WeakPolarHBondContact O-CG1 3.4Å; T66-I70 PolarHBondContact O-N 2.97Å; T66-I70 VanDerWaalsContact O-N 3.09Å; A67-I70 PolarHBondContact O-N 3.11Å; W68-I70 VanDerWaalsContact C-N 3.31Å; W68-I70 PolarHBondContact O-N 3.06Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 3.43Å; I70-E73 PolarHBondContact O-N 2.66Å; I70-L74 HydrophobicContact CG2-CD1 3.69Å; I70-L74 WeakPolarHBondContact O-CD1 3.5Å; I70-L74 WeakPolarHBondContact O-CG 3.32Å; I70-L74 PolarHBondContact O-N 3.03Å; I70-L74 VanDerWaalsContact O-N 3.15Å; I70-L184 HydrophobicContact CG2-CD2 3.91Å
71L98.9Very high98.8Very high4 Ų445 Ų452%0.02122%0.22CC..Hα-helixtrans-64.7-37.5179.9-67.7-179.5000112.2V55 A67 W68 L74 G75 Q76 V79 V81V55-L71 HydrophobicContact CG2-CD1 3.99Å; V55-L71 HydrophobicContact CG2-CD2 3.91Å; V55-L71 HydrophobicContact CG2-CG 4.3Å; A67-L71 WeakPolarHBondContact O-CG 3.44Å; A67-L71 PolarHBondContact O-N 3.42Å; W68-L71 PolarHBondContact O-N 3.16Å; L71-L74 CarbonylContact O-C 3.52Å; L71-L74 PolarHBondContact O-N 3.41Å; L71-G75 PolarHBondContact O-N 2.72Å; L71-Q76 HydrophobicContact CD2-CB 3.96Å; L71-Q76 PolarHBondContact O-N 3.09Å; L71-V79 HydrophobicContact CD2-CB 4.25Å; L71-V81 HydrophobicContact CD1-CG2 4.03Å
72E98.9Very high98.8Very high92 Ų9246.8 Ų46.843%0.4323%0.228SC..Hα-helixtrans-58.7-49.3174.3-176.9-177.7-153.900111.4R39 W68 I70 L74 G75R39-E72 IonicContact CZ-OE2 3.02Å; R39-E72 VanDerWaalsContact CZ-OE2 3.31Å; R39-E72 IonicContact NH1-OE2 2.69Å; R39-E72 PolarHBondContact NH1-OE2 2.94Å; R39-E72 IonicContact NH2-OE2 3.99Å; R39-E72 PolarHBondContact NH2-OE2 2.81Å; W68-E72 WeakPolarHBondContact O-CB 3.32Å; W68-E72 PolarHBondContact O-N 2.85Å; I70-E72 VanDerWaalsContact C-N 3.34Å; I70-E72 PolarHBondContact O-N 3.43Å; E72-L74 PolarHBondContact O-N 2.88Å; E72-G75 PolarHBondContact O-N 3.45Å; E72-G75 VanDerWaalsContact O-N 3.12Å
73E98.8Very high98.8Very high40 Ų4049.1 Ų49.119%0.18725%0.245CC..Hα-helixtrans-63.6-32.7179-66.4-71.8157.200112.2R39 K43 K46 L69 I70R39-E73 HydrophobicContact CB-CG 4.12Å; R39-E73 WeakPolarHBondContact CD-OE1 3.35Å; R39-E73 HydrophobicContact CG-CG 4.3Å; R39-E73 WeakPolarHBondContact CG-OE1 3.24Å; R39-E73 IonicContact CZ-OE1 2.79Å; R39-E73 IonicContact NH1-OE1 2.69Å; R39-E73 PolarHBondContact NH1-OE1 3.29Å; K43-E73 WeakPolarHBondContact CE-OE2 3.11Å; K43-E73 WeakPolarHBondContact CG-OE2 3.37Å; K46-E73 WeakPolarHBondContact CD-O 3.48Å; K46-E73 WeakPolarHBondContact CE-O 3.4Å; K46-E73 PolarHBondContact NZ-O 2.9Å; L69-E73 WeakPolarHBondContact O-CG 3.34Å; L69-E73 PolarHBondContact O-N 3.3Å; I70-E73 PolarHBondContact O-N 2.66Å
74L98.7Very high98.8Very high17 Ų1749.9 Ų49.99%0.08925%0.251CS..Hα-helixtrans-77.6-19.6177.1-70.9164.6000113.5L45 K46 F52 I70 L71 E72 Q76L45-L74 HydrophobicContact CB-CD2 4.13Å; K46-L74 HydrophobicContact CB-CD2 3.77Å; K46-L74 HydrophobicContact CG-CD2 4.39Å; F52-L74 HydrophobicContact CD2-CD1 3.73Å; F52-L74 HydrophobicContact CE2-CD1 3.61Å; I70-L74 HydrophobicContact CG2-CD1 3.69Å; I70-L74 WeakPolarHBondContact O-CD1 3.5Å; I70-L74 WeakPolarHBondContact O-CG 3.32Å; I70-L74 PolarHBondContact O-N 3.03Å; I70-L74 VanDerWaalsContact O-N 3.15Å; L71-L74 CarbonylContact O-C 3.52Å; L71-L74 PolarHBondContact O-N 3.41Å; E72-L74 PolarHBondContact O-N 2.88Å; L74-Q76 VanDerWaalsContact C-N 3.32Å; L74-Q76 HydrophobicContact CB-CB 3.96Å; L74-Q76 HydrophobicContact CB-CG 3.97Å
75G98.7Very high98.8Very high42 Ų4249.1 Ų49.143%0.43325%0.246SC..THydrogen-bonded Turntrans67.534.5-167.500000112.5L71 E72 E77 W78L71-G75 PolarHBondContact O-N 2.72Å; E72-G75 PolarHBondContact O-N 3.45Å; E72-G75 VanDerWaalsContact O-N 3.12Å; G75-E77 WeakPolarHBondContact CA-OE2 3Å; G75-W78 PolarHBondContact O-NE1 2.92Å
76Q98.8Very high98.8Very high20 Ų2047.5 Ų47.59%0.09324%0.237CC..  trans-12126.6-173.6-74.7177.928.100112F50 L71 L74 W78 V79F50-Q76 PolarHBondContact O-NE2 3.43Å; L71-Q76 HydrophobicContact CD2-CB 3.96Å; L71-Q76 PolarHBondContact O-N 3.09Å; L74-Q76 VanDerWaalsContact C-N 3.32Å; L74-Q76 HydrophobicContact CB-CB 3.96Å; L74-Q76 HydrophobicContact CB-CG 3.97Å; Q76-W78 PolarHBondContact O-N 3.27Å; Q76-V79 HydrophobicContact CB-CG2 3.78Å; Q76-V79 HydrophobicContact CG-CG2 4.36Å; Q76-V79 VanDerWaalsContact O-CB 3.29Å; Q76-V79 WeakPolarHBondContact O-CB 3.41Å; Q76-V79 VanDerWaalsContact O-CG2 3.28Å; Q76-V79 WeakPolarHBondContact O-CG2 3.46Å; Q76-V79 PolarHBondContact O-N 2.67Å
77E98.8Very high98.8Very high117 Ų11747.6 Ų47.655%0.54724%0.237SC..THydrogen-bonded Turntrans-61.6-17.5-179.6-57.597134.300113.5G75 V79G75-E77 WeakPolarHBondContact CA-OE2 3Å; E77-V79 VanDerWaalsContact C-N 3.29Å
78W98.8Very high98.8Very high191 Ų19147.6 Ų47.672%0.72324%0.237SC*.THydrogen-bonded Turntrans-76.7-12.6174.658.7-93.6000113.5G75 Q76G75-W78 PolarHBondContact O-NE1 2.92Å; Q76-W78 PolarHBondContact O-N 3.27Å
79V98.8Very high98.8Very high3 Ų342 Ų422%0.01822%0.217CC..SBendtrans-65.2129.4178.7175.20000109.5F52 V55 L71 Q76 E77 V81F52-V79 HydrophobicContact CB-CG1 4.22Å; F52-V79 WeakPolarHBondContact O-CG2 3.47Å; V55-V79 HydrophobicContact CG2-CG1 3.97Å; L71-V79 HydrophobicContact CD2-CB 4.25Å; Q76-V79 HydrophobicContact CB-CG2 3.78Å; Q76-V79 HydrophobicContact CG-CG2 4.36Å; Q76-V79 VanDerWaalsContact O-CB 3.29Å; Q76-V79 WeakPolarHBondContact O-CB 3.41Å; Q76-V79 VanDerWaalsContact O-CG2 3.28Å; Q76-V79 WeakPolarHBondContact O-CG2 3.46Å; Q76-V79 PolarHBondContact O-N 2.67Å; E77-V79 VanDerWaalsContact C-N 3.29Å; V79-V81 PolarHBondContact O-N 3.13Å
80P98.9Very high98.8Very high74 Ų7440.9 Ų40.948%0.48121%0.211SC..  trans-60.5139-179.6-21.931.4000112.8L54 V55L54-P80 HydrophobicContact CD2-CB 3.79Å; L54-P80 HydrophobicContact CD2-CG 4.03Å; V55-P80 PolarHBondContact N-O 2.93Å
81V98.9Very high98.8Very high59 Ų5940.9 Ų40.936%0.35821%0.211SC..EExtended strand (participates in β ladder)trans-119129.2179.2-173.20000109.9V55 T57 L71 V79V55-V81 HydrophobicContact CB-CG1 4.34Å; V55-V81 HydrophobicContact CB-CG2 4.15Å; V55-V81 HydrophobicContact CG1-CG1 4.33Å; V55-V81 CarbonylContact O-C 3.56Å; V55-V81 WeakPolarHBondContact O-CA 3.49Å; T57-V81 HydrophobicContact CG2-CG1 3.96Å; L71-V81 HydrophobicContact CD1-CG2 4.03Å; V79-V81 PolarHBondContact O-N 3.13Å
82E98.9Very high98.8Very high60 Ų6041.1 Ų41.128%0.2821%0.211SC..EExtended strand (participates in β ladder)trans-118.6128.5173.2-167.8179.2114.800110.8V55 F56 T57 Y168 R172V55-E82 PolarHBondContact O-N 3.25Å; F56-E82 CarbonylContact C-O 3.58Å; F56-E82 VanDerWaalsContact CA-O 3.31Å; F56-E82 WeakPolarHBondContact CA-O 3.42Å; F56-E82 HydrophobicContact CD1-CB 3.9Å; F56-E82 HydrophobicContact CD1-CG 4.49Å; F56-E82 HydrophobicContact CE1-CB 4.02Å; F56-E82 HydrophobicContact CE1-CG 4.49Å; T57-E82 PolarHBondContact N-O 2.83Å; E82-Y168 PolarHBondContact OE1-OH 2.84Å; E82-R172 WeakPolarHBondContact OE1-CD 3.28Å; E82-R172 IonicContact OE1-CZ 3.54Å; E82-R172 IonicContact OE1-NE 2.76Å; E82-R172 PolarHBondContact OE1-NE 3.25Å; E82-R172 IonicContact OE1-NH2 3.63Å; E82-R172 IonicContact OE2-CZ 3.48Å; E82-R172 IonicContact OE2-NE 3.18Å; E82-R172 PolarHBondContact OE2-NE 2.93Å; E82-R172 IonicContact OE2-NH2 2.77Å; E82-R172 PolarHBondContact OE2-NH2 3.17Å
83S98.9Very high98.8Very high53 Ų5336.7 Ų36.737%0.37119%0.191SC..EExtended strand (participates in β ladder)trans-114.5131.5-178.3-56.80000111.5T57T57-S83 WeakPolarHBondContact O-CA 3.34Å; T57-S83 WeakPolarHBondContact OG1-CB 3.36Å; T57-S83 PolarHBondContact OG1-OG 3.38Å
84S98.9Very high98.7Very high16 Ų1636.4 Ų36.411%0.11220%0.195CC..  trans-140.7141.7-179.7176.40000113.2T57 S58 R86 L87 Y168T57-S84 PolarHBondContact O-N 2.9Å; S58-S84 VanDerWaalsContact CA-O 3.3Å; S58-S84 WeakPolarHBondContact CA-O 3.34Å; S84-R86 PolarHBondContact O-N 3.48Å; S84-R86 PolarHBondContact OG-N 3.44Å; S84-L87 PolarHBondContact O-N 3.3Å; S84-Y168 VanDerWaalsContact CB-OH 3.27Å; S84-Y168 WeakPolarHBondContact CB-OH 3.1Å; S84-Y168 WeakPolarHBondContact OG-CE2 3.47Å
85W98.8Very high98.7Very high13 Ų1336 Ų365%0.04919%0.193CC..G310 helixtrans-62.3-23.7174.981.2-86.4000111.9W25 V59 L87 N88 Y142 C145 D146 V147 L152 P153 R164W25-W85 AromaticContact CH2-CE3 3.56Å; W25-W85 HydrophobicContact CH2-CE3 3.56Å; W25-W85 AromaticContact CH2-CZ3 3.96Å; W25-W85 HydrophobicContact CH2-CZ3 3.96Å; W25-W85 AromaticContact CZ2-CE3 3.76Å; W25-W85 HydrophobicContact CZ2-CE3 3.76Å; W25-W85 HydrophobicContact CZ2-CZ3 4.09Å; V59-W85 HydrophobicContact CG2-CB 4.03Å; W85-L87 PolarHBondContact O-N 2.95Å; W85-L87 VanDerWaalsContact O-N 3.08Å; W85-N88 WeakPolarHBondContact O-CB 3.07Å; W85-N88 PolarHBondContact O-N 3.12Å; W85-Y142 HydrophobicContact CB-CE1 4.4Å; W85-C145 HydrophobicContact CG-CB 4.36Å; W85-D146 PolarHBondContact NE1-OD1 2.76Å; W85-V147 HydrophobicContact CZ2-CB 4.2Å; W85-V147 HydrophobicContact CZ2-CG2 3.76Å; W85-L152 HydrophobicContact CD2-CD2 3.92Å; W85-L152 HydrophobicContact CE3-CD2 3.97Å; W85-L152 HydrophobicContact CH2-CD2 4.06Å; W85-L152 HydrophobicContact CZ2-CD2 4.04Å; W85-L152 HydrophobicContact CZ3-CD2 4.03Å; W85-P153 HydrophobicContact CZ3-CG 4.4Å; W85-R164 HydrophobicContact CH2-CB 3.8Å; W85-R164 HydrophobicContact CH2-CG 4.11Å; W85-R164 HydrophobicContact CZ3-CB 4.26Å; W85-R164 HydrophobicContact CZ3-CG 4.05Å
86R98.8Very high98.7Very high38 Ų3834 Ų3414%0.14317%0.173CC..G310 helixtrans-65.6-7.8174.8-64.2-176.9178-84.52.1113.7S84 D146 R164 L165 Y168S84-R86 PolarHBondContact O-N 3.48Å; S84-R86 PolarHBondContact OG-N 3.44Å; R86-D146 IonicContact CZ-OD2 3.64Å; R86-D146 IonicContact NE-OD1 2.78Å; R86-D146 IonicContact NE-OD2 3.63Å; R86-D146 PolarHBondContact NE-OD2 3Å; R86-D146 IonicContact NH2-OD1 3.22Å; R86-D146 IonicContact NH2-OD2 3.78Å; R86-D146 PolarHBondContact NH2-OD2 3.12Å; R86-R164 VanDerWaalsContact C-NH1 3.3Å; R86-R164 WeakPolarHBondContact CB-O 3.43Å; R86-R164 VanDerWaalsContact CD-O 3.27Å; R86-R164 WeakPolarHBondContact CD-O 3.32Å; R86-R164 WeakPolarHBondContact CG-O 3.33Å; R86-R164 PolarHBondContact NH1-O 3.44Å; R86-R164 PolarHBondContact O-NH1 3.29Å; R86-L165 WeakPolarHBondContact O-CB 3.48Å; R86-L165 WeakPolarHBondContact O-CG 3.28Å; R86-Y168 HydrophobicContact CB-CD2 4.43Å; R86-Y168 HydrophobicContact CB-CG 4.07Å
87L98.9Very high98.6Very high2 Ų233.6 Ų33.61%0.0117%0.174CC..G310 helixtrans-105.81.2169.6-70.9177.6000113.7F56 T57 S58 S84 W85 L165 Y168 I185 H188 S191F56-L87 HydrophobicContact CB-CD1 3.83Å; T57-L87 WeakPolarHBondContact O-CD1 3.38Å; S58-L87 VanDerWaalsContact CB-C 3.48Å; S58-L87 WeakPolarHBondContact CB-O 3.11Å; S84-L87 PolarHBondContact O-N 3.3Å; W85-L87 PolarHBondContact O-N 2.95Å; W85-L87 VanDerWaalsContact O-N 3.08Å; L87-L165 HydrophobicContact CD2-CD1 3.9Å; L87-L165 HydrophobicContact CD2-CG 4.15Å; L87-Y168 HydrophobicContact CD1-CD1 4.23Å; L87-Y168 HydrophobicContact CD1-CE1 3.7Å; L87-Y168 HydrophobicContact CD2-CD1 4.44Å; L87-Y168 HydrophobicContact CG-CD1 4.03Å; L87-Y168 HydrophobicContact CG-CE1 3.96Å; L87-I185 HydrophobicContact CD1-CG2 4.38Å; L87-I185 HydrophobicContact CD2-CG2 4.4Å; L87-H188 PolarHBondContact O-CD2 2.99Å; L87-S191 WeakPolarHBondContact O-CB 3.33Å; L87-S191 PolarHBondContact O-OG 2.68Å
88N98.9Very high98.5Very high0 Ų031.2 Ų31.20%016%0.164CC..SBendtrans-55.1158.3177.4-804.3000112.3W25 S58 V59 L60 W85 Y142 R164 S191W25-N88 HydrophobicContact CZ2-CB 4.24Å; S58-N88 WeakPolarHBondContact CB-OD1 3.44Å; V59-N88 VanDerWaalsContact CG2-OD1 3.28Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.22Å; V59-N88 PolarHBondContact N-OD1 2.76Å; L60-N88 HydrophobicContact CD1-CB 4.19Å; W85-N88 WeakPolarHBondContact O-CB 3.07Å; W85-N88 PolarHBondContact O-N 3.12Å; N88-Y142 PolarHBondContact ND2-OH 2.97Å; N88-Y142 VanDerWaalsContact ND2-OH 3.16Å; N88-R164 PolarHBondContact O-NH1 3.46Å; N88-R164 PolarHBondContact O-NH2 3.22Å; N88-S191 VanDerWaalsContact O-CB 3.3Å; N88-S191 WeakPolarHBondContact O-CB 3.22Å; N88-S191 PolarHBondContact O-OG 3.16Å
89E98.6Very high98.3Very high18 Ų1824.6 Ų24.68%0.08414%0.143CC..PPolyproline II helixtrans-56.4157.9165.7-173.352.8-74.200110.5W25 L60 H91 H188 G189 N190W25-E89 PolarHBondContact NE1-O 2.64Å; L60-E89 HydrophobicContact CD1-CB 4.4Å; E89-H91 PolarHBondContact O-N 3.34Å; E89-H188 HydrophobicContact CB-CB 3.62Å; E89-H188 HydrophobicContact CG-CB 4.07Å; E89-H188 PolarHBondContact N-CD2 2.98Å; E89-G189 PolarHBondContact OE2-N 2.75Å; E89-N190 WeakPolarHBondContact OE1-CA 3.37Å; E89-N190 WeakPolarHBondContact OE1-CB 3.22Å; E89-N190 PolarHBondContact OE1-N 2.86Å; E89-N190 PolarHBondContact OE1-ND2 3.07Å
90R98.7Very high98Very high0 Ų025.2 Ų25.20%015%0.145CC..PPolyproline II helixtrans-54.3134.1170178.2-108-81.7-92.5-12.1111.6S24 Y92 W115 P123 E156 V161 N190S24-R90 PolarHBondContact OG-O 2.83Å; R90-Y92 PolarHBondContact O-N 3.09Å; R90-W115 PolarHBondContact NH1-O 2.76Å; R90-W115 PolarHBondContact NH2-O 3.02Å; R90-P123 VanDerWaalsContact NH1-CD 3.27Å; R90-P123 VanDerWaalsContact NH1-CG 3.33Å; R90-E156 WeakPolarHBondContact CD-O 3.31Å; R90-E156 HydrophobicContact CG-CB 3.91Å; R90-E156 WeakPolarHBondContact CG-O 3.45Å; R90-E156 PolarHBondContact NH1-O 3.31Å; R90-V161 HydrophobicContact CB-CG2 3.68Å; R90-V161 HydrophobicContact CG-CG2 3.86Å; R90-N190 HydrophobicContact CB-CB 3.76Å
91H98.7Very high97.7Very high0 Ų023.7 Ų23.70%013%0.132CC..  trans-69107.9170-155.7-70.6000110.7S24 W25 E89 G93 Y137 P153 R154 S155 E156S24-H91 WeakPolarHBondContact OG-CA 3.08Å; W25-H91 AromaticContact CD1-CD2 3.99Å; W25-H91 AromaticContact CD2-CD2 3.54Å; W25-H91 AromaticContact CE2-CD2 3.92Å; W25-H91 AromaticContact CE3-CD2 3.88Å; W25-H91 AromaticContact CG-CD2 3.62Å; E89-H91 PolarHBondContact O-N 3.34Å; H91-G93 PolarHBondContact ND1-N 2.68Å; H91-G93 VanDerWaalsContact ND1-N 3.14Å; H91-G93 PolarHBondContact O-N 3.38Å; H91-Y137 PolarHBondContact NE2-OH 3.12Å; H91-P153 HydrophobicContact CB-CG 4.43Å; H91-R154 PolarHBondContact CE1-O 3.26Å; H91-R154 VanDerWaalsContact CE1-O 3.26Å; H91-R154 PolarHBondContact ND1-O 2.94Å; H91-S155 WeakPolarHBondContact O-CA 3.41Å; H91-E156 HydrophobicContact CB-CB 4.16Å; H91-E156 HydrophobicContact CB-CG 3.86Å; H91-E156 WeakPolarHBondContact CB-OE2 3.4Å; H91-E156 PolarHBondContact N-OE2 3.34Å; H91-E156 PolarHBondContact O-N 2.73Å
92Y98.5Very high97.3Very high8 Ų825.2 Ų25.23%0.03114%0.135CC..  trans-82.5-0.6-177.9-88.8-69.4000113.5F22 S24 R90 A94 L95 W115 P123 N190F22-Y92 HydrophobicContact CB-CD2 4.47Å; F22-Y92 HydrophobicContact CB-CG 4.43Å; F22-Y92 AromaticContact CD1-CD1 3.66Å; F22-Y92 HydrophobicContact CD1-CD1 3.66Å; F22-Y92 AromaticContact CD1-CD2 3.89Å; F22-Y92 HydrophobicContact CD1-CD2 3.89Å; F22-Y92 AromaticContact CD1-CE1 3.61Å; F22-Y92 HydrophobicContact CD1-CE1 3.61Å; F22-Y92 AromaticContact CD1-CE2 3.85Å; F22-Y92 HydrophobicContact CD1-CE2 3.85Å; F22-Y92 AromaticContact CD1-CG 3.79Å; F22-Y92 HydrophobicContact CD1-CG 3.79Å; F22-Y92 AromaticContact CD1-CZ 3.7Å; F22-Y92 AromaticContact CE1-CD1 3.88Å; F22-Y92 HydrophobicContact CE1-CD1 3.88Å; F22-Y92 AromaticContact CE1-CE1 3.52Å; F22-Y92 HydrophobicContact CE1-CE1 3.52Å; F22-Y92 HydrophobicContact CE1-CE2 4.43Å; F22-Y92 HydrophobicContact CE1-CG 4.47Å; F22-Y92 AromaticContact CE1-CZ 3.82Å; F22-Y92 HydrophobicContact CG-CG 4.44Å; S24-Y92 PolarHBondContact OG-N 3.35Å; R90-Y92 PolarHBondContact O-N 3.09Å; Y92-A94 PolarHBondContact O-N 3.07Å; Y92-L95 HydrophobicContact CD1-CD1 4.29Å; Y92-L95 WeakPolarHBondContact O-CB 3.28Å; Y92-L95 PolarHBondContact O-N 3.48Å; Y92-L95 VanDerWaalsContact O-N 3.14Å; Y92-W115 WeakPolarHBondContact CE1-O 3.22Å; Y92-P123 HydrophobicContact CD1-CG 4.12Å; Y92-P123 VanDerWaalsContact O-CB 3.27Å; Y92-P123 WeakPolarHBondContact O-CB 3.43Å; Y92-N190 PolarHBondContact OH-ND2 2.9Å
93G98.4Very high97Very high0 Ų023 Ų230%012%0.124CC..G310 helixtrans58.7-131.6176.800000112.3H91 L95 I96 P124 R154H91-G93 PolarHBondContact ND1-N 2.68Å; H91-G93 VanDerWaalsContact ND1-N 3.14Å; H91-G93 PolarHBondContact O-N 3.38Å; G93-L95 PolarHBondContact O-N 3.09Å; G93-L95 VanDerWaalsContact O-N 3.12Å; G93-I96 WeakPolarHBondContact O-CB 3.47Å; G93-I96 WeakPolarHBondContact O-CD1 3.38Å; G93-I96 WeakPolarHBondContact O-CG1 3.47Å; G93-I96 PolarHBondContact O-N 3.47Å; G93-I96 VanDerWaalsContact O-N 3.14Å; G93-P124 CarbonylContact C-O 3.6Å; G93-P124 VanDerWaalsContact CA-O 3.29Å; G93-P124 WeakPolarHBondContact CA-O 3.13Å; G93-R154 WeakPolarHBondContact CA-O 3.2Å
94A97.9Very high96.7Very high33 Ų3320.6 Ų20.627%0.27311%0.108SC..G310 helixtrans-65.3-11.8179.700000114.3Y92 I96 P124Y92-A94 PolarHBondContact O-N 3.07Å; A94-I96 PolarHBondContact O-N 3.4Å; A94-P124 HydrophobicContact CB-CB 4.12Å; A94-P124 PolarHBondContact N-O 2.96Å
95L97.6Very high96.4Very high8 Ų824.5 Ų24.54%0.04213%0.127CC..G310 helixtrans-75.8-14.4175.2-61179.4000112.5F22 Y92 G93 G97 L98 M103 W115 P123F22-L95 VanDerWaalsContact CB-O 3.28Å; F22-L95 WeakPolarHBondContact CB-O 3.43Å; F22-L95 HydrophobicContact CD2-CB 4.08Å; F22-L95 HydrophobicContact CE2-CB 4.39Å; F22-L95 HydrophobicContact CG-CB 4.26Å; F22-L95 HydrophobicContact CZ-CD1 4.38Å; Y92-L95 HydrophobicContact CD1-CD1 4.29Å; Y92-L95 WeakPolarHBondContact O-CB 3.28Å; Y92-L95 PolarHBondContact O-N 3.48Å; Y92-L95 VanDerWaalsContact O-N 3.14Å; G93-L95 PolarHBondContact O-N 3.09Å; G93-L95 VanDerWaalsContact O-N 3.12Å; L95-G97 PolarHBondContact O-N 3.2Å; L95-L98 HydrophobicContact CD2-CD1 4.16Å; L95-L98 WeakPolarHBondContact O-CB 3.49Å; L95-L98 WeakPolarHBondContact O-CG 3.32Å; L95-L98 PolarHBondContact O-N 3.03Å; L95-M103 HydrophobicContact CD2-SD 4.17Å; L95-W115 HydrophobicContact CD1-CB 4.05Å; L95-W115 HydrophobicContact CD1-CD2 3.94Å; L95-W115 HydrophobicContact CD1-CE3 4.06Å; L95-W115 HydrophobicContact CD1-CG 3.96Å; L95-W115 HydrophobicContact CD2-CE3 4.46Å; L95-W115 HydrophobicContact CD2-CZ3 4.45Å; L95-P123 HydrophobicContact CD1-CB 3.97Å; L95-P123 HydrophobicContact CD1-CG 4.4Å; L95-P123 HydrophobicContact CG-CB 4.31Å
96I98.3Very high96.1Very high2 Ų228.3 Ų28.31%0.0115%0.149CC..THydrogen-bonded Turntrans-55.5129.7-178.5-69.5175.4000110.5W16 F22 V26 G93 A94 L98 H130 Y132 I136W16-I96 HydrophobicContact CZ3-CG2 4.45Å; F22-I96 WeakPolarHBondContact O-CA 3.34Å; V26-I96 HydrophobicContact CG2-CG2 3.36Å; G93-I96 WeakPolarHBondContact O-CB 3.47Å; G93-I96 WeakPolarHBondContact O-CD1 3.38Å; G93-I96 WeakPolarHBondContact O-CG1 3.47Å; G93-I96 PolarHBondContact O-N 3.47Å; G93-I96 VanDerWaalsContact O-N 3.14Å; A94-I96 PolarHBondContact O-N 3.4Å; I96-L98 PolarHBondContact O-N 2.92Å; I96-H130 PolarHBondContact O-CE1 2.88Å; I96-H130 PolarHBondContact O-NE2 3.45Å; I96-Y132 HydrophobicContact CG2-CD2 4.13Å; I96-Y132 HydrophobicContact CG2-CG 4.11Å; I96-I136 HydrophobicContact CD1-CD1 3.97Å
97G97.3Very high95.8Very high11 Ų1131.2 Ų31.211%0.11316%0.164CC..THydrogen-bonded Turntrans85-16.9-179.800000114.9R21 F22 L95R21-G97 PolarHBondContact NE-O 3.22Å; R21-G97 PolarHBondContact NH2-O 3.45Å; R21-G97 VanDerWaalsContact NH2-O 3.16Å; F22-G97 PolarHBondContact O-N 3.24Å; L95-G97 PolarHBondContact O-N 3.2Å
98L96.7Very high95.5Very high66 Ų6632.7 Ų32.735%0.34618%0.179SC..  trans-74.3148.1177-53.6-175.8000111.3R21 F22 L95 I96 M103R21-L98 CarbonylContact C-O 3.59Å; R21-L98 VanDerWaalsContact CA-O 3.29Å; R21-L98 WeakPolarHBondContact CA-O 3.47Å; F22-L98 HydrophobicContact CD2-CB 4.5Å; F22-L98 WeakPolarHBondContact CD2-O 3.4Å; F22-L98 PolarHBondContact N-O 2.96Å; L95-L98 HydrophobicContact CD2-CD1 4.16Å; L95-L98 WeakPolarHBondContact O-CB 3.49Å; L95-L98 WeakPolarHBondContact O-CG 3.32Å; L95-L98 PolarHBondContact O-N 3.03Å; I96-L98 PolarHBondContact O-N 2.92Å; L98-M103 HydrophobicContact CB-CE 4.34Å; L98-M103 HydrophobicContact CB-CG 4.14Å; L98-M103 HydrophobicContact CB-SD 4.3Å; L98-M103 HydrophobicContact CD1-CE 3.91Å; L98-M103 HydrophobicContact CD1-CG 4.41Å; L98-M103 HydrophobicContact CD1-SD 3.58Å; L98-M103 VanDerWaalsContact CD1-SD 3.58Å
99N95.4Very high95.2Very high53 Ų5336.7 Ų36.728%0.28320%0.198SC..BIsolated β-bridgetrans-79.3133.3174.5-177.5-72.3000110.5E19 N20 E101 Q102 M103E19-N99 PolarHBondContact O-ND2 3.36Å; N20-N99 WeakPolarHBondContact O-CA 3.32Å; N99-E101 WeakPolarHBondContact OD1-CA 3.16Å; N99-E101 WeakPolarHBondContact OD1-CB 3.32Å; N99-E101 PolarHBondContact OD1-N 3.28Å; N99-Q102 HydrophobicContact CB-CB 4.08Å; N99-Q102 PolarHBondContact O-N 3.27Å; N99-Q102 PolarHBondContact OD1-N 3.34Å; N99-M103 WeakPolarHBondContact O-CG 3.4Å; N99-M103 PolarHBondContact O-N 3.15Å
100R92.7Very high94.9Very high15 Ų1543.3 Ų43.36%0.05723%0.228CC..Hα-helixtrans-67.8-37.7-175.2-58.2-172.1-176.776.17.4113.2N20 R21 F22 M103 A104 Q251N20-R100 WeakPolarHBondContact O-CG 3.44Å; N20-R100 PolarHBondContact O-N 2.77Å; N20-R100 WeakPolarHBondContact OD1-CB 3.47Å; N20-R100 WeakPolarHBondContact OD1-CD 3.3Å; N20-R100 WeakPolarHBondContact OD1-CG 3.39Å; N20-R100 PolarHBondContact OD1-NH1 2.78Å; R21-R100 VanDerWaalsContact O-CZ 3.22Å; R21-R100 PolarHBondContact O-NH1 3.43Å; R21-R100 VanDerWaalsContact O-NH1 3.12Å; R21-R100 PolarHBondContact O-NH2 2.77Å; F22-R100 HydrophobicContact CD1-CG 4.35Å; F22-R100 HydrophobicContact CD2-CG 3.92Å; F22-R100 HydrophobicContact CE1-CG 4.09Å; F22-R100 HydrophobicContact CE2-CB 4.22Å; F22-R100 HydrophobicContact CE2-CG 3.62Å; F22-R100 HydrophobicContact CG-CG 4.28Å; F22-R100 HydrophobicContact CZ-CB 4.38Å; F22-R100 HydrophobicContact CZ-CG 3.72Å; R100-M103 PolarHBondContact O-N 2.82Å; R100-A104 PolarHBondContact O-N 2.76Å; R100-Q251 VanDerWaalsContact CB-O 3.31Å; R100-Q251 WeakPolarHBondContact CB-O 3.35Å
101E91.1Very high94.7Very high43 Ų4346.5 Ų46.520%0.20124%0.243CC..Hα-helixtrans-66.7-41.1176.6-176.9171.9-162.400110.1N99 M103 A104 L105 K255N99-E101 WeakPolarHBondContact OD1-CA 3.16Å; N99-E101 WeakPolarHBondContact OD1-CB 3.32Å; N99-E101 PolarHBondContact OD1-N 3.28Å; E101-M103 VanDerWaalsContact C-N 3.32Å; E101-M103 PolarHBondContact O-N 2.97Å; E101-A104 WeakPolarHBondContact O-CB 3.29Å; E101-A104 PolarHBondContact O-N 3.45Å; E101-A104 VanDerWaalsContact O-N 3.09Å; E101-L105 WeakPolarHBondContact O-CG 3.26Å; E101-L105 PolarHBondContact O-N 3.46Å; E101-K255 WeakPolarHBondContact OE1-CB 3.32Å; E101-K255 VanDerWaalsContact OE1-CG 3.3Å; E101-K255 WeakPolarHBondContact OE1-CG 3.43Å; E101-K255 PolarHBondContact OE1-N 2.84Å; E101-K255 VanDerWaalsContact OE1-N 3.15Å; E101-K255 IonicContact OE2-NZ 3.89Å
102Q91.7Very high94.3Very high90 Ų9046.5 Ų46.542%0.42124%0.243SC..Hα-helixtrans-62.5-39.4173.4-170.962.258.700112.2N99 A104 L105 N106N99-Q102 HydrophobicContact CB-CB 4.08Å; N99-Q102 PolarHBondContact O-N 3.27Å; N99-Q102 PolarHBondContact OD1-N 3.34Å; Q102-A104 VanDerWaalsContact C-N 3.29Å; Q102-A104 PolarHBondContact O-N 2.89Å; Q102-L105 PolarHBondContact O-N 3.2Å; Q102-N106 PolarHBondContact NE2-OD1 3.43Å; Q102-N106 WeakPolarHBondContact O-CB 3.46Å; Q102-N106 PolarHBondContact O-N 3.36Å; Q102-N106 PolarHBondContact O-OD1 2.96Å
103M93.3Very high94.1Very high13 Ų1352.2 Ų52.26%0.06427%0.265CS..Hα-helixtrans-65.5-33.8173.9-68-61.297.300112.1F22 L95 L98 N99 R100 E101 N106 H107 V112F22-M103 HydrophobicContact CE2-CB 4.48Å; F22-M103 HydrophobicContact CE2-CG 4.1Å; L95-M103 HydrophobicContact CD2-SD 4.17Å; L98-M103 HydrophobicContact CB-CE 4.34Å; L98-M103 HydrophobicContact CB-CG 4.14Å; L98-M103 HydrophobicContact CB-SD 4.3Å; L98-M103 HydrophobicContact CD1-CE 3.91Å; L98-M103 HydrophobicContact CD1-CG 4.41Å; L98-M103 HydrophobicContact CD1-SD 3.58Å; L98-M103 VanDerWaalsContact CD1-SD 3.58Å; N99-M103 WeakPolarHBondContact O-CG 3.4Å; N99-M103 PolarHBondContact O-N 3.15Å; R100-M103 PolarHBondContact O-N 2.82Å; E101-M103 VanDerWaalsContact C-N 3.32Å; E101-M103 PolarHBondContact O-N 2.97Å; M103-N106 PolarHBondContact O-N 2.95Å; M103-H107 WeakPolarHBondContact O-CB 3.48Å; M103-H107 PolarHBondContact O-CD2 3.3Å; M103-H107 PolarHBondContact O-N 2.87Å; M103-V112 VanDerWaalsContact C-CG2 3.46Å; M103-V112 HydrophobicContact CB-CG2 3.76Å
104A92.4Very high93.8Very high3 Ų354.6 Ų54.63%0.02528%0.277CS..Hα-helixtrans-69.3-36.8176.200000111.4R100 E101 Q102 G108 E109 V112 V254R100-A104 PolarHBondContact O-N 2.76Å; E101-A104 WeakPolarHBondContact O-CB 3.29Å; E101-A104 PolarHBondContact O-N 3.45Å; E101-A104 VanDerWaalsContact O-N 3.09Å; Q102-A104 VanDerWaalsContact C-N 3.29Å; Q102-A104 PolarHBondContact O-N 2.89Å; A104-G108 CarbonylContact O-C 3.49Å; A104-G108 WeakPolarHBondContact O-CA 3.35Å; A104-G108 PolarHBondContact O-N 3.42Å; A104-E109 HydrophobicContact CB-CG 4.3Å; A104-V112 HydrophobicContact CB-CG2 4.16Å; A104-V254 HydrophobicContact CB-CG2 3.97Å
105L91.4Very high93.6Very high98 Ų9854.3 Ų54.351%0.51327%0.269SS..Hα-helixtrans-64.9-40.8171.9-71.2170.4000112.3E101 Q102 V254E101-L105 WeakPolarHBondContact O-CG 3.26Å; E101-L105 PolarHBondContact O-N 3.46Å; Q102-L105 PolarHBondContact O-N 3.2Å; L105-V254 HydrophobicContact CD2-CB 4.39Å; L105-V254 HydrophobicContact CD2-CG1 3.61Å; L105-V254 HydrophobicContact CD2-CG2 3.82Å; L105-V254 HydrophobicContact CG-CG1 4.43Å; L105-V254 HydrophobicContact CG-CG2 4.13Å
106N92.4Very high93.5Very high94 Ų9454.5 Ų54.550%0.50327%0.269SS..Hα-helixtrans-80.7-33.5-175-67.42.4000113.5Q102 M103Q102-N106 PolarHBondContact NE2-OD1 3.43Å; Q102-N106 WeakPolarHBondContact O-CB 3.46Å; Q102-N106 PolarHBondContact O-N 3.36Å; Q102-N106 PolarHBondContact O-OD1 2.96Å; M103-N106 PolarHBondContact O-N 2.95Å
107H93.2Very high93.3Very high99 Ų9955.5 Ų55.546%0.45827%0.273SS..Hα-helixtrans-124.6-4.4-169.6-57.2-71.5000114.1M103 Q111 W115M103-H107 WeakPolarHBondContact O-CB 3.48Å; M103-H107 PolarHBondContact O-CD2 3.3Å; M103-H107 PolarHBondContact O-N 2.87Å; H107-Q111 HydrophobicContact CB-CB 4.22Å; H107-Q111 HydrophobicContact CB-CG 4.17Å; H107-Q111 WeakPolarHBondContact O-CB 3.36Å; H107-W115 HydrophobicContact CB-CH2 3.91Å; H107-W115 HydrophobicContact CB-CZ3 3.85Å; H107-W115 AromaticContact CD2-CH2 3.78Å; H107-W115 AromaticContact CD2-CZ3 3.75Å; H107-W115 AromaticContact CG-CH2 3.62Å; H107-W115 AromaticContact CG-CZ3 3.82Å
108G91.9Very high93.1Very high32 Ų3255.9 Ų55.933%0.3327%0.274SS..  trans86.6150.2-174.800000113.6A104 E110 Q111 V112A104-G108 CarbonylContact O-C 3.49Å; A104-G108 WeakPolarHBondContact O-CA 3.35Å; A104-G108 PolarHBondContact O-N 3.42Å; G108-E110 VanDerWaalsContact C-N 3.28Å; G108-E110 PolarHBondContact O-N 2.97Å; G108-Q111 PolarHBondContact O-N 3.47Å; G108-V112 PolarHBondContact O-N 2.94Å
109E92.3Very high93.2Very high85 Ų8554.1 Ų54.140%0.39726%0.263SS..Hα-helixtrans-61.6-35.4-179.8-64.1-170.5177.100112.7A104 V112 R113 K253 V254A104-E109 HydrophobicContact CB-CG 4.3Å; E109-V112 PolarHBondContact O-N 3.36Å; E109-R113 WeakPolarHBondContact O-CB 3.46Å; E109-R113 PolarHBondContact O-N 3.12Å; E109-K253 WeakPolarHBondContact OE1-CA 3.41Å; E109-V254 HydrophobicContact CG-CG2 4.33Å; E109-V254 PolarHBondContact OE1-N 2.8Å
110E93.9Very high93.3Very high156 Ų15655.9 Ų55.973%0.72927%0.272SS*.Hα-helixtrans-63-48.2179.4-175175.9-172.800111.5G108 V112 R113 L114G108-E110 VanDerWaalsContact C-N 3.28Å; G108-E110 PolarHBondContact O-N 2.97Å; E110-V112 VanDerWaalsContact C-N 3.33Å; E110-V112 PolarHBondContact O-N 3.45Å; E110-R113 WeakPolarHBondContact O-CB 3.35Å; E110-R113 PolarHBondContact O-N 3.13Å; E110-R113 VanDerWaalsContact O-N 3.16Å; E110-L114 WeakPolarHBondContact O-CG 3.26Å; E110-L114 PolarHBondContact O-N 2.98Å
111Q93.1Very high93.5Very high67 Ų6757.1 Ų57.131%0.31328%0.282SS..Hα-helixtrans-63.1-40.6178.5-173.558.66000111.5H107 G108 L114 W115H107-Q111 HydrophobicContact CB-CB 4.22Å; H107-Q111 HydrophobicContact CB-CG 4.17Å; H107-Q111 WeakPolarHBondContact O-CB 3.36Å; G108-Q111 PolarHBondContact O-N 3.47Å; Q111-L114 PolarHBondContact O-N 3.32Å; Q111-W115 HydrophobicContact CG-CD2 4.02Å; Q111-W115 HydrophobicContact CG-CE3 3.96Å; Q111-W115 HydrophobicContact CG-CH2 3.57Å; Q111-W115 HydrophobicContact CG-CZ2 3.62Å; Q111-W115 HydrophobicContact CG-CZ3 3.74Å; Q111-W115 VanDerWaalsContact NE2-CE2 3.28Å; Q111-W115 PolarHBondContact O-N 3.3Å
112V92Very high93.8Very high0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-66.8-37.9175.2174.10000111.7M103 A104 G108 E109 E110 W115 R116M103-V112 VanDerWaalsContact C-CG2 3.46Å; M103-V112 HydrophobicContact CB-CG2 3.76Å; A104-V112 HydrophobicContact CB-CG2 4.16Å; G108-V112 PolarHBondContact O-N 2.94Å; E109-V112 PolarHBondContact O-N 3.36Å; E110-V112 VanDerWaalsContact C-N 3.33Å; E110-V112 PolarHBondContact O-N 3.45Å; V112-W115 HydrophobicContact CG2-CE3 4.18Å; V112-W115 HydrophobicContact CG2-CZ3 4.32Å; V112-W115 PolarHBondContact O-N 2.74Å; V112-R116 HydrophobicContact CG1-CG 4.2Å; V112-R116 VanDerWaalsContact O-CB 3.28Å; V112-R116 WeakPolarHBondContact O-CB 3.41Å; V112-R116 WeakPolarHBondContact O-CG 3.37Å; V112-R116 PolarHBondContact O-N 3.32Å
113R92.5Very high94Very high129 Ų12953.9 Ų53.949%0.48727%0.271SS..Hα-helixtrans-62.3-45.7174.1-175.6179.1178.2-176.8-0.3110.6E109 E110 R116 R117 I208 N209E109-R113 WeakPolarHBondContact O-CB 3.46Å; E109-R113 PolarHBondContact O-N 3.12Å; E110-R113 WeakPolarHBondContact O-CB 3.35Å; E110-R113 PolarHBondContact O-N 3.13Å; E110-R113 VanDerWaalsContact O-N 3.16Å; R113-R116 PolarHBondContact O-N 2.95Å; R113-R116 VanDerWaalsContact O-N 3.16Å; R113-R117 WeakPolarHBondContact O-CB 3.45Å; R113-R117 PolarHBondContact O-N 2.69Å; R113-I208 HydrophobicContact CG-CD1 4.49Å; R113-N209 PolarHBondContact NH2-OD1 3.44Å
114L93.7Very high94.2Very high50 Ų5056.2 Ų56.226%0.26229%0.287SS..Hα-helixtrans-58.4-52.8175.2-71.6176.2000111E110 Q111 R116 R117 S118 V121 I208E110-L114 WeakPolarHBondContact O-CG 3.26Å; E110-L114 PolarHBondContact O-N 2.98Å; Q111-L114 PolarHBondContact O-N 3.32Å; L114-R116 PolarHBondContact O-N 3.01Å; L114-R117 PolarHBondContact O-N 3.27Å; L114-S118 WeakPolarHBondContact O-CB 3.26Å; L114-S118 PolarHBondContact O-N 3.22Å; L114-V121 HydrophobicContact CB-CG2 4.28Å; L114-I208 HydrophobicContact CD2-CD1 4.21Å
115W93.7Very high94.5Very high27 Ų2759 Ų5910%0.10231%0.305CS..Hα-helixtrans-59-29.2176.1-74.4-37.5000113.7R90 Y92 L95 H107 Q111 V112R90-W115 PolarHBondContact NH1-O 2.76Å; R90-W115 PolarHBondContact NH2-O 3.02Å; Y92-W115 WeakPolarHBondContact CE1-O 3.22Å; L95-W115 HydrophobicContact CD1-CB 4.05Å; L95-W115 HydrophobicContact CD1-CD2 3.94Å; L95-W115 HydrophobicContact CD1-CE3 4.06Å; L95-W115 HydrophobicContact CD1-CG 3.96Å; L95-W115 HydrophobicContact CD2-CE3 4.46Å; L95-W115 HydrophobicContact CD2-CZ3 4.45Å; H107-W115 HydrophobicContact CB-CH2 3.91Å; H107-W115 HydrophobicContact CB-CZ3 3.85Å; H107-W115 AromaticContact CD2-CH2 3.78Å; H107-W115 AromaticContact CD2-CZ3 3.75Å; H107-W115 AromaticContact CG-CH2 3.62Å; H107-W115 AromaticContact CG-CZ3 3.82Å; Q111-W115 HydrophobicContact CG-CD2 4.02Å; Q111-W115 HydrophobicContact CG-CE3 3.96Å; Q111-W115 HydrophobicContact CG-CH2 3.57Å; Q111-W115 HydrophobicContact CG-CZ2 3.62Å; Q111-W115 HydrophobicContact CG-CZ3 3.74Å; Q111-W115 VanDerWaalsContact NE2-CE2 3.28Å; Q111-W115 PolarHBondContact O-N 3.3Å; V112-W115 HydrophobicContact CG2-CE3 4.18Å; V112-W115 HydrophobicContact CG2-CZ3 4.32Å; V112-W115 PolarHBondContact O-N 2.74Å
116R94Very high94.8Very high12 Ų1254.5 Ų54.55%0.04528%0.282CS..Hα-helixtrans-88.4-29.4-178-74.4173.975.6-148.16.7114.1F22 V112 R113 L114 N190 V248 E249F22-R116 HydrophobicContact CE1-CG 3.75Å; F22-R116 HydrophobicContact CZ-CG 4.06Å; V112-R116 HydrophobicContact CG1-CG 4.2Å; V112-R116 VanDerWaalsContact O-CB 3.28Å; V112-R116 WeakPolarHBondContact O-CB 3.41Å; V112-R116 WeakPolarHBondContact O-CG 3.37Å; V112-R116 PolarHBondContact O-N 3.32Å; R113-R116 PolarHBondContact O-N 2.95Å; R113-R116 VanDerWaalsContact O-N 3.16Å; L114-R116 PolarHBondContact O-N 3.01Å; R116-N190 PolarHBondContact O-OD1 3.39Å; R116-V248 PolarHBondContact NH2-O 2.77Å; R116-E249 PolarHBondContact NH1-O 3.03Å
117R93.9Very high95.1Very high22 Ų2255.4 Ų55.48%0.08328%0.283CS..Hα-helixtrans-134-24.9-162.6-64.4-67.3-178.4-100.31.9114.8R113 L114 R193 I208 T211R113-R117 WeakPolarHBondContact O-CB 3.45Å; R113-R117 PolarHBondContact O-N 2.69Å; L114-R117 PolarHBondContact O-N 3.27Å; R117-R193 PolarHBondContact O-NH2 2.75Å; R117-I208 HydrophobicContact CB-CB 4.38Å; R117-I208 HydrophobicContact CB-CG1 3.44Å; R117-I208 VanDerWaalsContact CB-CG1 3.44Å; R117-I208 WeakPolarHBondContact CB-O 3.45Å; R117-T211 PolarHBondContact NE-OG1 2.75Å
118S94.7Very high95.3Very high20 Ų2057.9 Ų57.914%0.1429%0.294CS..  trans-59.7148.6-179.3179.20000111.4L114 N120 V121L114-S118 WeakPolarHBondContact O-CB 3.26Å; L114-S118 PolarHBondContact O-N 3.22Å; S118-N120 PolarHBondContact OG-N 3.4Å; S118-V121 WeakPolarHBondContact OG-CG2 3.41Å
119Y97.7Very high95.6Very high28 Ų2861.6 Ų61.611%0.1132%0.315CS..SBendtrans-69.1-45.2176.4-175-121.6000112.2S157 L158 K159 L162 K197 D204Y119-S157 WeakPolarHBondContact O-CB 3.4Å; Y119-L158 HydrophobicContact CD2-CB 4.02Å; Y119-L158 HydrophobicContact CD2-CD2 4.17Å; Y119-L158 HydrophobicContact CD2-CG 4.2Å; Y119-L158 PolarHBondContact O-N 3.18Å; Y119-L158 VanDerWaalsContact O-N 3.1Å; Y119-K159 HydrophobicContact CD1-CB 4.25Å; Y119-K159 HydrophobicContact CD2-CB 4.26Å; Y119-K159 HydrophobicContact CE1-CB 3.84Å; Y119-K159 HydrophobicContact CE1-CD 4.2Å; Y119-K159 HydrophobicContact CE1-CG 4.03Å; Y119-K159 VanDerWaalsContact CE2-CA 3.5Å; Y119-K159 HydrophobicContact CE2-CB 3.83Å; Y119-K159 HydrophobicContact CE2-CG 4.47Å; Y119-K159 HydrophobicContact CG-CB 4.47Å; Y119-K159 PolarHBondContact O-N 3.32Å; Y119-L162 HydrophobicContact CE2-CD2 4.49Å; Y119-K197 HydrophobicContact CD2-CD 3.74Å; Y119-K197 HydrophobicContact CE2-CD 3.61Å; Y119-D204 HydrophobicContact CD1-CB 3.83Å; Y119-D204 WeakPolarHBondContact CD1-OD1 3.42Å; Y119-D204 WeakPolarHBondContact CD1-OD2 3.33Å; Y119-D204 VanDerWaalsContact CE1-CG 3.47Å; Y119-D204 WeakPolarHBondContact CE1-OD1 3.15Å; Y119-D204 VanDerWaalsContact CE1-OD2 3.28Å; Y119-D204 WeakPolarHBondContact CE1-OD2 3.43Å; Y119-D204 HydrophobicContact CG-CB 4.26Å
120N97.2Very high95.9Very high90 Ų9058.9 Ų58.948%0.48130%0.303SS..SBendtrans-104.9-10.3-166.2-66.4-42.2000114.8S118 T122S118-N120 PolarHBondContact OG-N 3.4Å; N120-T122 PolarHBondContact O-N 3.49Å
121V97Very high96.1Very high41 Ų4156.7 Ų56.725%0.24830%0.302CS..  trans-81.9112.1-177.3179.50000110.8L114 S118L114-V121 HydrophobicContact CB-CG2 4.28Å; S118-V121 WeakPolarHBondContact OG-CG2 3.41Å
122T97.5Very high96.4Very high63 Ų6355.9 Ų55.939%0.38730%0.296SS..PPolyproline II helixtrans-86.7127.4174.3-490000110.5N120 S155 S157N120-T122 PolarHBondContact O-N 3.49Å; T122-S155 WeakPolarHBondContact CG2-OG 3.28Å; T122-S157 WeakPolarHBondContact OG1-CB 3.44Å
123P96.9Very high96.7Very high3 Ų357.7 Ų57.72%0.01930%0.303CS..PPolyproline II helixtrans-63.9159.6170.8-2235.1000111.8R90 Y92 L95 S155 E156R90-P123 VanDerWaalsContact NH1-CD 3.27Å; R90-P123 VanDerWaalsContact NH1-CG 3.33Å; Y92-P123 HydrophobicContact CD1-CG 4.12Å; Y92-P123 VanDerWaalsContact O-CB 3.27Å; Y92-P123 WeakPolarHBondContact O-CB 3.43Å; L95-P123 HydrophobicContact CD1-CB 3.97Å; L95-P123 HydrophobicContact CD1-CG 4.4Å; L95-P123 HydrophobicContact CG-CB 4.31Å; P123-S155 WeakPolarHBondContact O-CB 3.22Å; P123-S155 PolarHBondContact O-OG 2.85Å; P123-E156 VanDerWaalsContact CD-O 3.24Å; P123-E156 WeakPolarHBondContact CD-O 3.36Å
124P96.6Very high97Very high61 Ų6157.9 Ų57.940%0.39631%0.31SS..PPolyproline II helixtrans-56139.6172.4-21.332.2000111.1G93 A94G93-P124 CarbonylContact C-O 3.6Å; G93-P124 VanDerWaalsContact CA-O 3.29Å; G93-P124 WeakPolarHBondContact CA-O 3.13Å; A94-P124 HydrophobicContact CB-CB 4.12Å; A94-P124 PolarHBondContact N-O 2.96Å
125P98.4Very high97.2Very high62 Ų6260 Ų6040%0.40332%0.318SS..PPolyproline II helixtrans-63.5151.6-178.527.9-35000111.8R154P125-R154 HydrophobicContact CB-CB 4.06Å
126I98.7Very high97.4Very high4 Ų458.9 Ų58.92%0.02131%0.314CS..PPolyproline II helixtrans-74131.9169.7-165.2176.5000109.7H130 Y133 I136 Y137 R154I126-H130 HydrophobicContact CD1-CB 4Å; I126-H130 WeakPolarHBondContact CD1-ND1 3.5Å; I126-H130 HydrophobicContact CG1-CB 3.46Å; I126-H130 VanDerWaalsContact CG1-CB 3.46Å; I126-Y133 HydrophobicContact CD1-CD2 4.29Å; I126-Y133 HydrophobicContact CG1-CD2 4.12Å; I126-Y133 HydrophobicContact CG2-CD2 4.03Å; I126-Y133 HydrophobicContact CG2-CE2 4.36Å; I126-I136 HydrophobicContact CD1-CD1 4.3Å; I126-Y137 HydrophobicContact CG2-CE2 3.71Å; I126-Y137 WeakPolarHBondContact CG2-OH 3.33Å; I126-R154 HydrophobicContact CG2-CB 4.02Å; I126-R154 HydrophobicContact CG2-CG 3.94Å; I126-R154 WeakPolarHBondContact CG2-O 3.48Å; I126-R154 PolarHBondContact N-O 3.14Å
127E98.2Very high97.7Very high113 Ų11358.5 Ų58.553%0.52831%0.313SS..PPolyproline II helixtrans-98.9160.5176.4-61.6-60.6150.400111.1S129 H130 Y133E127-S129 PolarHBondContact O-N 2.86Å; E127-S129 VanDerWaalsContact O-N 3.14Å; E127-H130 WeakPolarHBondContact O-CB 3.05Å; E127-H130 PolarHBondContact O-N 3.39Å; E127-Y133 WeakPolarHBondContact O-CB 3.12Å; E127-Y133 VanDerWaalsContact O-CD2 3.28Å; E127-Y133 WeakPolarHBondContact O-CD2 3.29Å
128E98.2Very high97.9Very high150 Ų15062.7 Ų62.770%0.70134%0.337SS*.THydrogen-bonded Turntrans-58.6-27.4178.8-67.3-173-150.700113.7H130 Y133E128-H130 VanDerWaalsContact C-N 3.26Å; E128-H130 PolarHBondContact O-N 3.1Å; E128-Y133 HydrophobicContact CB-CD1 4.37Å; E128-Y133 HydrophobicContact CB-CE1 4.31Å; E128-Y133 HydrophobicContact CG-CD1 4.33Å; E128-Y133 HydrophobicContact CG-CE1 3.78Å; E128-Y133 HydrophobicContact CG-CE2 4.2Å
129S98.3Very high98.1Very high110 Ų11064 Ų6477%0.76934%0.342SS*.THydrogen-bonded Turntrans-76.7-9.6176.759.60000113.7E127E127-S129 PolarHBondContact O-N 2.86Å; E127-S129 VanDerWaalsContact O-N 3.14Å
130H98.6Very high98.1Very high29 Ų2971.7 Ų71.713%0.13437%0.371CS..SBendtrans-68.1136.9-178.1-171.6-91.8000110.9I96 I126 E127 E128 Y132 Y133I96-H130 PolarHBondContact O-CE1 2.88Å; I96-H130 PolarHBondContact O-NE2 3.45Å; I126-H130 HydrophobicContact CD1-CB 4Å; I126-H130 WeakPolarHBondContact CD1-ND1 3.5Å; I126-H130 HydrophobicContact CG1-CB 3.46Å; I126-H130 VanDerWaalsContact CG1-CB 3.46Å; E127-H130 WeakPolarHBondContact O-CB 3.05Å; E127-H130 PolarHBondContact O-N 3.39Å; E128-H130 VanDerWaalsContact C-N 3.26Å; E128-H130 PolarHBondContact O-N 3.1Å; H130-Y132 AromaticContact CE1-CD2 3.68Å; H130-Y132 PolarHBondContact ND1-N 2.73Å; H130-Y132 PolarHBondContact O-N 3.12Å; H130-Y133 WeakPolarHBondContact O-CB 3.5Å; H130-Y133 PolarHBondContact O-N 3.18Å
131P98.4Very high98.2Very high109 Ų10970.2 Ų70.271%0.70836%0.359SS*.THydrogen-bonded Turntrans-55.5-28.1-174.2-28.134.9000115
132Y98.4Very high98.3Very high51 Ų5168.4 Ų68.420%0.235%0.347CS..THydrogen-bonded Turntrans-101.20.8-178.1-62.3-81.2000114W16 R21 V26 I96 H130 E135 I136W16-Y132 HydrophobicContact CH2-CD1 4.08Å; W16-Y132 HydrophobicContact CH2-CD2 4.37Å; W16-Y132 AromaticContact CH2-CE1 3.53Å; W16-Y132 HydrophobicContact CH2-CE1 3.53Å; W16-Y132 AromaticContact CH2-CE2 3.8Å; W16-Y132 HydrophobicContact CH2-CE2 3.8Å; W16-Y132 AromaticContact CH2-CZ 3.37Å; W16-Y132 AromaticContact CZ2-CE1 3.71Å; W16-Y132 HydrophobicContact CZ2-CE1 3.71Å; W16-Y132 HydrophobicContact CZ2-CE2 4.46Å; W16-Y132 AromaticContact CZ2-CZ 3.62Å; W16-Y132 WeakPolarHBondContact CZ2-OH 3.46Å; R21-Y132 PolarHBondContact NH2-OH 3.19Å; V26-Y132 HydrophobicContact CG1-CD1 4.35Å; V26-Y132 HydrophobicContact CG2-CD1 3.79Å; V26-Y132 HydrophobicContact CG2-CG 3.99Å; I96-Y132 HydrophobicContact CG2-CD2 4.13Å; I96-Y132 HydrophobicContact CG2-CG 4.11Å; H130-Y132 AromaticContact CE1-CD2 3.68Å; H130-Y132 PolarHBondContact ND1-N 2.73Å; H130-Y132 PolarHBondContact O-N 3.12Å; Y132-E135 HydrophobicContact CD1-CG 4.31Å; Y132-E135 WeakPolarHBondContact CD1-OE2 3.39Å; Y132-E135 VanDerWaalsContact O-CG 3.27Å; Y132-E135 WeakPolarHBondContact O-CG 3.46Å; Y132-I136 WeakPolarHBondContact O-CG1 3.46Å; Y132-I136 PolarHBondContact O-N 3.03Å
133Y98.7Very high98.3Very high38 Ų3870.5 Ų70.515%0.14935%0.351CS..Hα-helixtrans-62.3-52-176.4-177.1-87.9000111.5I126 E127 E128 H130 E135 I136 Y137I126-Y133 HydrophobicContact CD1-CD2 4.29Å; I126-Y133 HydrophobicContact CG1-CD2 4.12Å; I126-Y133 HydrophobicContact CG2-CD2 4.03Å; I126-Y133 HydrophobicContact CG2-CE2 4.36Å; E127-Y133 WeakPolarHBondContact O-CB 3.12Å; E127-Y133 VanDerWaalsContact O-CD2 3.28Å; E127-Y133 WeakPolarHBondContact O-CD2 3.29Å; E128-Y133 HydrophobicContact CB-CD1 4.37Å; E128-Y133 HydrophobicContact CB-CE1 4.31Å; E128-Y133 HydrophobicContact CG-CD1 4.33Å; E128-Y133 HydrophobicContact CG-CE1 3.78Å; E128-Y133 HydrophobicContact CG-CE2 4.2Å; H130-Y133 WeakPolarHBondContact O-CB 3.5Å; H130-Y133 PolarHBondContact O-N 3.18Å; Y133-E135 PolarHBondContact O-N 2.9Å; Y133-I136 PolarHBondContact O-N 2.79Å; Y133-Y137 HydrophobicContact CD1-CD2 4.03Å; Y133-Y137 AromaticContact CD2-CD2 3.58Å; Y133-Y137 HydrophobicContact CD2-CD2 3.58Å; Y133-Y137 AromaticContact CD2-CE2 3.55Å; Y133-Y137 HydrophobicContact CD2-CE2 3.55Å; Y133-Y137 AromaticContact CE1-CD2 3.92Å; Y133-Y137 HydrophobicContact CE1-CD2 3.92Å; Y133-Y137 HydrophobicContact CE1-CG 4.5Å; Y133-Y137 AromaticContact CE2-CD2 3.45Å; Y133-Y137 HydrophobicContact CE2-CD2 3.45Å; Y133-Y137 VanDerWaalsContact CE2-CD2 3.45Å; Y133-Y137 AromaticContact CE2-CE2 3.45Å; Y133-Y137 HydrophobicContact CE2-CE2 3.45Å; Y133-Y137 VanDerWaalsContact CE2-CE2 3.45Å; Y133-Y137 HydrophobicContact CE2-CG 4.44Å; Y133-Y137 AromaticContact CG-CD2 3.86Å; Y133-Y137 HydrophobicContact CG-CD2 3.86Å; Y133-Y137 HydrophobicContact CG-CE2 4.23Å; Y133-Y137 AromaticContact CZ-CD2 3.62Å; Y133-Y137 VanDerWaalsContact O-CD2 3.29Å; Y133-Y137 WeakPolarHBondContact O-CD2 3.29Å; Y133-Y137 PolarHBondContact O-N 2.97Å
134Q98.4Very high98.4Very high132 Ų13275 Ų7562%0.61738%0.379SS*.Hα-helixtrans-63.6-42.4-175.1-68.4-173.3-6.300112I136 N138Q134-I136 VanDerWaalsContact C-N 3.3Å; Q134-I136 PolarHBondContact O-N 2.85Å; Q134-N138 WeakPolarHBondContact O-CA 3.38Å; Q134-N138 WeakPolarHBondContact O-CB 3.45Å; Q134-N138 VanDerWaalsContact O-CG 3.31Å; Q134-N138 PolarHBondContact O-N 3.37Å; Q134-N138 PolarHBondContact O-ND2 2.81Å
135E98.3Very high98.4Very high95 Ų9573.5 Ų73.544%0.44437%0.369SS..Hα-helixtrans-65.2-33.4179.565.2169.4-105.300112.9V26 Y132 Y133V26-E135 WeakPolarHBondContact CG1-OE1 3.26Å; Y132-E135 HydrophobicContact CD1-CG 4.31Å; Y132-E135 WeakPolarHBondContact CD1-OE2 3.39Å; Y132-E135 VanDerWaalsContact O-CG 3.27Å; Y132-E135 WeakPolarHBondContact O-CG 3.46Å; Y133-E135 PolarHBondContact O-N 2.9Å
136I98.6Very high98.4Very high3 Ų375.4 Ų75.42%0.01538%0.376CS..Hα-helixtrans-72-57.8177.1-66.5169.3000109.5W25 V26 I96 I126 Y132 Y133 Q134 D139 Y142W25-I136 HydrophobicContact CB-CD1 4.19Å; W25-I136 HydrophobicContact CB-CG1 4.46Å; W25-I136 HydrophobicContact CB-CG2 4.22Å; W25-I136 HydrophobicContact CE3-CG2 4.12Å; V26-I136 HydrophobicContact CG2-CD1 4.21Å; I96-I136 HydrophobicContact CD1-CD1 3.97Å; I126-I136 HydrophobicContact CD1-CD1 4.3Å; Y132-I136 WeakPolarHBondContact O-CG1 3.46Å; Y132-I136 PolarHBondContact O-N 3.03Å; Y133-I136 PolarHBondContact O-N 2.79Å; Q134-I136 VanDerWaalsContact C-N 3.3Å; Q134-I136 PolarHBondContact O-N 2.85Å; I136-D139 PolarHBondContact O-N 3.48Å; I136-Y142 HydrophobicContact CG2-CE2 4.15Å; I136-Y142 WeakPolarHBondContact O-CD2 3.5Å; I136-Y142 WeakPolarHBondContact O-CE2 3.44Å
137Y98.5Very high98.4Very high5 Ų576.5 Ų76.52%0.0238%0.383CS..Hα-helixtrans-84.6-15.2-169.7-60.6-75.1000114.3H91 I126 Y133 K143 L149 P153 R154H91-Y137 PolarHBondContact NE2-OH 3.12Å; I126-Y137 HydrophobicContact CG2-CE2 3.71Å; I126-Y137 WeakPolarHBondContact CG2-OH 3.33Å; Y133-Y137 HydrophobicContact CD1-CD2 4.03Å; Y133-Y137 AromaticContact CD2-CD2 3.58Å; Y133-Y137 HydrophobicContact CD2-CD2 3.58Å; Y133-Y137 AromaticContact CD2-CE2 3.55Å; Y133-Y137 HydrophobicContact CD2-CE2 3.55Å; Y133-Y137 AromaticContact CE1-CD2 3.92Å; Y133-Y137 HydrophobicContact CE1-CD2 3.92Å; Y133-Y137 HydrophobicContact CE1-CG 4.5Å; Y133-Y137 AromaticContact CE2-CD2 3.45Å; Y133-Y137 HydrophobicContact CE2-CD2 3.45Å; Y133-Y137 VanDerWaalsContact CE2-CD2 3.45Å; Y133-Y137 AromaticContact CE2-CE2 3.45Å; Y133-Y137 HydrophobicContact CE2-CE2 3.45Å; Y133-Y137 VanDerWaalsContact CE2-CE2 3.45Å; Y133-Y137 HydrophobicContact CE2-CG 4.44Å; Y133-Y137 AromaticContact CG-CD2 3.86Å; Y133-Y137 HydrophobicContact CG-CD2 3.86Å; Y133-Y137 HydrophobicContact CG-CE2 4.23Å; Y133-Y137 AromaticContact CZ-CD2 3.62Å; Y133-Y137 VanDerWaalsContact O-CD2 3.29Å; Y133-Y137 WeakPolarHBondContact O-CD2 3.29Å; Y133-Y137 PolarHBondContact O-N 2.97Å; Y137-K143 PolarHBondContact O-NZ 3.25Å; Y137-K143 VanDerWaalsContact O-NZ 3.12Å; Y137-L149 HydrophobicContact CD1-CD1 4.16Å; Y137-P153 PolarHBondContact OH-O 3.26Å; Y137-R154 WeakPolarHBondContact OH-CA 3.42Å
138N98.4Very high98.4Very high109 Ų10974.1 Ų74.158%0.58338%0.377SS*.Hα-helixtrans-82.8-14.1171-66.9-22.8000113.2Q134 R140 K143Q134-N138 WeakPolarHBondContact O-CA 3.38Å; Q134-N138 WeakPolarHBondContact O-CB 3.45Å; Q134-N138 VanDerWaalsContact O-CG 3.31Å; Q134-N138 PolarHBondContact O-N 3.37Å; Q134-N138 PolarHBondContact O-ND2 2.81Å; N138-R140 PolarHBondContact O-N 3.45Å; N138-K143 PolarHBondContact O-NZ 2.93Å
139D98.6Very high98.4Very high48 Ų4869.3 Ų69.326%0.25736%0.356SS..SBendtrans-61.3137.1177.4-165.1-53000111.4I136 R141 Y142 K143I136-D139 PolarHBondContact O-N 3.48Å; D139-R141 VanDerWaalsContact C-N 3.26Å; D139-R141 HydrophobicContact CB-CG 4.36Å; D139-R141 PolarHBondContact O-N 2.78Å; D139-R141 WeakPolarHBondContact OD1-CB 3.49Å; D139-R141 VanDerWaalsContact OD1-CG 3.31Å; D139-R141 WeakPolarHBondContact OD1-CG 3.46Å; D139-R141 PolarHBondContact OD1-N 2.77Å; D139-R141 IonicContact OD1-NE 3.94Å; D139-R141 PolarHBondContact OD1-NE 3.12Å; D139-R141 VanDerWaalsContact OD1-NE 3.12Å; D139-R141 IonicContact OD2-CZ 2.68Å; D139-R141 VanDerWaalsContact OD2-CZ 3.24Å; D139-R141 IonicContact OD2-NE 3Å; D139-R141 PolarHBondContact OD2-NE 2.78Å; D139-R141 IonicContact OD2-NH2 3.78Å; D139-R141 PolarHBondContact OD2-NH2 3.02Å; D139-Y142 HydrophobicContact CB-CD2 4.14Å; D139-K143 PolarHBondContact O-NZ 2.78Å
140R98.6Very high98.3Very high190 Ų19069.7 Ų69.772%0.71735%0.349SS*.G310 helixtrans-64-31.1-179.6-170.4178.174.696.5-1.3111.9N138 Y142 K143N138-R140 PolarHBondContact O-N 3.45Å; R140-Y142 PolarHBondContact O-N 2.86Å; R140-Y142 VanDerWaalsContact O-N 3.13Å; R140-K143 WeakPolarHBondContact O-CB 3.48Å; R140-K143 PolarHBondContact O-N 3.01Å
141R98.6Very high98.3Very high58 Ų5874.5 Ų74.522%0.21937%0.372CS..G310 helixtrans-57.1-31.8-176.778.4-173.771.7-176.412.3112.8D27 V59 D139 V144 C145D27-R141 IonicContact OD1-NH1 3.41Å; D27-R141 PolarHBondContact OD1-NH1 3.31Å; D27-R141 IonicContact OD2-CZ 3.79Å; D27-R141 VanDerWaalsContact OD2-CZ 3.22Å; D27-R141 IonicContact OD2-NH1 2.66Å; D27-R141 PolarHBondContact OD2-NH1 2.71Å; D27-R141 IonicContact OD2-NH2 3.63Å; D27-R141 PolarHBondContact OD2-NH2 2.89Å; V59-R141 HydrophobicContact CG2-CG 4.29Å; V59-R141 PolarHBondContact O-NH1 2.82Å; D139-R141 VanDerWaalsContact C-N 3.26Å; D139-R141 HydrophobicContact CB-CG 4.36Å; D139-R141 PolarHBondContact O-N 2.78Å; D139-R141 WeakPolarHBondContact OD1-CB 3.49Å; D139-R141 VanDerWaalsContact OD1-CG 3.31Å; D139-R141 WeakPolarHBondContact OD1-CG 3.46Å; D139-R141 PolarHBondContact OD1-N 2.77Å; D139-R141 IonicContact OD1-NE 3.94Å; D139-R141 PolarHBondContact OD1-NE 3.12Å; D139-R141 VanDerWaalsContact OD1-NE 3.12Å; D139-R141 IonicContact OD2-CZ 2.68Å; D139-R141 VanDerWaalsContact OD2-CZ 3.24Å; D139-R141 IonicContact OD2-NE 3Å; D139-R141 PolarHBondContact OD2-NE 2.78Å; D139-R141 IonicContact OD2-NH2 3.78Å; D139-R141 PolarHBondContact OD2-NH2 3.02Å; R141-V144 WeakPolarHBondContact O-CG2 3.17Å; R141-C145 PolarHBondContact O-SG 2.94Å
142Y98.7Very high98.3Very high3 Ų369.5 Ų69.51%0.01234%0.339CS..G310 helixtrans-87.7-8.4179.6-62.9-57.5000113.9W25 V59 W85 N88 I136 D139 R140 V144 L152W25-Y142 HydrophobicContact CD2-CE1 4.38Å; W25-Y142 HydrophobicContact CE3-CD1 4.29Å; W25-Y142 AromaticContact CE3-CE1 3.54Å; W25-Y142 HydrophobicContact CE3-CE1 3.54Å; W25-Y142 HydrophobicContact CE3-CE2 4.14Å; W25-Y142 AromaticContact CE3-CZ 3.44Å; W25-Y142 VanDerWaalsContact CE3-CZ 3.44Å; W25-Y142 HydrophobicContact CH2-CE1 4.16Å; W25-Y142 AromaticContact CZ3-CD1 3.82Å; W25-Y142 HydrophobicContact CZ3-CD1 3.82Å; W25-Y142 AromaticContact CZ3-CE1 3.41Å; W25-Y142 HydrophobicContact CZ3-CE1 3.41Å; W25-Y142 VanDerWaalsContact CZ3-CE1 3.41Å; W25-Y142 AromaticContact CZ3-CZ 3.84Å; V59-Y142 HydrophobicContact CG2-CE1 3.99Å; W85-Y142 HydrophobicContact CB-CE1 4.4Å; N88-Y142 PolarHBondContact ND2-OH 2.97Å; N88-Y142 VanDerWaalsContact ND2-OH 3.16Å; I136-Y142 HydrophobicContact CG2-CE2 4.15Å; I136-Y142 WeakPolarHBondContact O-CD2 3.5Å; I136-Y142 WeakPolarHBondContact O-CE2 3.44Å; D139-Y142 HydrophobicContact CB-CD2 4.14Å; R140-Y142 PolarHBondContact O-N 2.86Å; R140-Y142 VanDerWaalsContact O-N 3.13Å; Y142-V144 VanDerWaalsContact C-N 3.35Å; Y142-L152 HydrophobicContact CD1-CD1 3.8Å; Y142-L152 HydrophobicContact CG-CD1 3.95Å
143K98.5Very high98.3Very high108 Ų10868.3 Ų68.347%0.4734%0.337SS..G310 helixtrans-87.3-7.4173.1-64.3178.1176.463.90113Y137 N138 D139 R140 L149Y137-K143 PolarHBondContact O-NZ 3.25Å; Y137-K143 VanDerWaalsContact O-NZ 3.12Å; N138-K143 PolarHBondContact O-NZ 2.93Å; D139-K143 PolarHBondContact O-NZ 2.78Å; R140-K143 WeakPolarHBondContact O-CB 3.48Å; R140-K143 PolarHBondContact O-N 3.01Å; K143-L149 HydrophobicContact CG-CD2 4.18Å
144V98.3Very high98.3Very high98 Ų9869.3 Ų69.359%0.59434%0.341SS*.SBendtrans-124.417.9-176.6-59.80000112.1R141 Y142R141-V144 WeakPolarHBondContact O-CG2 3.17Å; Y142-V144 VanDerWaalsContact C-N 3.35Å
145C98.1Very high98.3Very high29 Ų2964.1 Ų64.120%0.19632%0.319CS..SBendtrans-74.1166.7171.5-700000110.7W85 R141 V147W85-C145 HydrophobicContact CG-CB 4.36Å; R141-C145 PolarHBondContact O-SG 2.94Å; C145-V147 PolarHBondContact O-N 3.38Å
146D98.4Very high98.3Very high101 Ų10159.7 Ų59.754%0.5430%0.299SS..SBendtrans-73.30.6171.865.4-27.9000113.3W85 R86W85-D146 PolarHBondContact NE1-OD1 2.76Å; R86-D146 IonicContact CZ-OD2 3.64Å; R86-D146 IonicContact NE-OD1 2.78Å; R86-D146 IonicContact NE-OD2 3.63Å; R86-D146 PolarHBondContact NE-OD2 3Å; R86-D146 IonicContact NH2-OD1 3.22Å; R86-D146 IonicContact NH2-OD2 3.78Å; R86-D146 PolarHBondContact NH2-OD2 3.12Å
147V98.2Very high98.3Very high28 Ų2859.7 Ų59.717%0.1730%0.299CS..SBendtrans-125.7137.5174.6176.70000108.6W85 C145 Q151 L152W85-V147 HydrophobicContact CZ2-CB 4.2Å; W85-V147 HydrophobicContact CZ2-CG2 3.76Å; C145-V147 PolarHBondContact O-N 3.38Å; V147-Q151 HydrophobicContact CG1-CB 3.5Å; V147-L152 HydrophobicContact CB-CD2 4.33Å; V147-L152 HydrophobicContact CG1-CD2 4.4Å
148P97.9Very high98.3Very high62 Ų6259.5 Ų59.540%0.40330%0.298SS..  trans-56.1146.4173.8-26.936.6000113.2D150 Q151 L152P148-D150 WeakPolarHBondContact CB-OD1 3.44Å; P148-D150 PolarHBondContact O-N 3.23Å; P148-Q151 HydrophobicContact CB-CG 4.4Å; P148-Q151 PolarHBondContact O-N 2.79Å; P148-L152 PolarHBondContact O-N 2.96Å
149L97.6Very high98.4Very high49 Ų4958.2 Ų58.226%0.25729%0.288SS..G310 helixtrans-55.6-36.3-177.4178.565.1000113.2Y137 K143 Q151 L152 R154Y137-L149 HydrophobicContact CD1-CD1 4.16Å; K143-L149 HydrophobicContact CG-CD2 4.18Å; L149-Q151 VanDerWaalsContact C-N 3.25Å; L149-Q151 PolarHBondContact O-N 3.02Å; L149-L152 HydrophobicContact CD1-CD1 4.1Å; L149-L152 PolarHBondContact O-N 3Å; L149-R154 PolarHBondContact O-NH1 3.38Å
150D97.3Very high98.4Very high119 Ų11958.4 Ų58.464%0.63629%0.288SS*.G310 helixtrans-70.5-18.7177.758.7-55.5000113.3P148 R154P148-D150 WeakPolarHBondContact CB-OD1 3.44Å; P148-D150 PolarHBondContact O-N 3.23Å; D150-R154 PolarHBondContact O-NH1 3.1Å
151Q98Very high98.4Very high130 Ų13049.3 Ų49.361%0.60725%0.254SS*.G310 helixtrans-99.4-5.2177.8-65.6179.323.200113.7V147 P148 L149V147-Q151 HydrophobicContact CG1-CB 3.5Å; P148-Q151 HydrophobicContact CB-CG 4.4Å; P148-Q151 PolarHBondContact O-N 2.79Å; L149-Q151 VanDerWaalsContact C-N 3.25Å; L149-Q151 PolarHBondContact O-N 3.02Å
152L98.4Very high98.4Very high4 Ų447.3 Ų47.32%0.02125%0.248CC..SBendtrans-64.3149.8172.6-69.9177.1000111.4W25 W85 Y142 V147 P148 L149 R154W25-L152 HydrophobicContact CH2-CD2 4.22Å; W25-L152 HydrophobicContact CZ3-CB 4.42Å; W25-L152 HydrophobicContact CZ3-CD1 4.29Å; W85-L152 HydrophobicContact CD2-CD2 3.92Å; W85-L152 HydrophobicContact CE3-CD2 3.97Å; W85-L152 HydrophobicContact CH2-CD2 4.06Å; W85-L152 HydrophobicContact CZ2-CD2 4.04Å; W85-L152 HydrophobicContact CZ3-CD2 4.03Å; Y142-L152 HydrophobicContact CD1-CD1 3.8Å; Y142-L152 HydrophobicContact CG-CD1 3.95Å; V147-L152 HydrophobicContact CB-CD2 4.33Å; V147-L152 HydrophobicContact CG1-CD2 4.4Å; P148-L152 PolarHBondContact O-N 2.96Å; L149-L152 HydrophobicContact CD1-CD1 4.1Å; L149-L152 PolarHBondContact O-N 3Å; L152-R154 WeakPolarHBondContact O-CD 3.39Å; L152-R154 PolarHBondContact O-NH1 2.64Å
153P98.5Very high98.4Very high25 Ų2552.4 Ų52.416%0.16227%0.272CS..  trans-67.4148-174.926.8-35.4000112.6W25 W85 H91 Y137 E156W25-P153 HydrophobicContact CH2-CG 3.81Å; W25-P153 HydrophobicContact CZ2-CG 3.8Å; W85-P153 HydrophobicContact CZ3-CG 4.4Å; H91-P153 HydrophobicContact CB-CG 4.43Å; Y137-P153 PolarHBondContact OH-O 3.26Å; P153-E156 HydrophobicContact CB-CG 3.56Å; P153-E156 HydrophobicContact CG-CG 3.78Å
154R98.6Very high98.4Very high59 Ų5948.1 Ų48.122%0.22325%0.252CS..SBendtrans-102.5-16.3169.8-8460.5-178169.65.2112.5H91 G93 P125 I126 Y137 L149 D150 L152H91-R154 PolarHBondContact CE1-O 3.26Å; H91-R154 VanDerWaalsContact CE1-O 3.26Å; H91-R154 PolarHBondContact ND1-O 2.94Å; G93-R154 WeakPolarHBondContact CA-O 3.2Å; P125-R154 HydrophobicContact CB-CB 4.06Å; I126-R154 HydrophobicContact CG2-CB 4.02Å; I126-R154 HydrophobicContact CG2-CG 3.94Å; I126-R154 WeakPolarHBondContact CG2-O 3.48Å; I126-R154 PolarHBondContact N-O 3.14Å; Y137-R154 WeakPolarHBondContact OH-CA 3.42Å; L149-R154 PolarHBondContact O-NH1 3.38Å; D150-R154 PolarHBondContact O-NH1 3.1Å; L152-R154 WeakPolarHBondContact O-CD 3.39Å; L152-R154 PolarHBondContact O-NH1 2.64Å
155S98.7Very high98.4Very high23 Ų2343.5 Ų43.516%0.16123%0.225CC..SBendtrans-159.8157.6161.853.20000108.4H91 T122 P123H91-S155 WeakPolarHBondContact O-CA 3.41Å; T122-S155 WeakPolarHBondContact CG2-OG 3.28Å; P123-S155 WeakPolarHBondContact O-CB 3.22Å; P123-S155 PolarHBondContact O-OG 2.85Å
156E98.8Very high98.5Very high3 Ų344.1 Ų44.11%0.01423%0.226CC..  trans-137.4135.4179.4-70.1174.7119.500109.4R90 H91 P123 P153 D160 V161 R164R90-E156 WeakPolarHBondContact CD-O 3.31Å; R90-E156 HydrophobicContact CG-CB 3.91Å; R90-E156 WeakPolarHBondContact CG-O 3.45Å; R90-E156 PolarHBondContact NH1-O 3.31Å; H91-E156 HydrophobicContact CB-CB 4.16Å; H91-E156 HydrophobicContact CB-CG 3.86Å; H91-E156 WeakPolarHBondContact CB-OE2 3.4Å; H91-E156 PolarHBondContact N-OE2 3.34Å; H91-E156 PolarHBondContact O-N 2.73Å; P123-E156 VanDerWaalsContact CD-O 3.24Å; P123-E156 WeakPolarHBondContact CD-O 3.36Å; P153-E156 HydrophobicContact CB-CG 3.56Å; P153-E156 HydrophobicContact CG-CG 3.78Å; E156-D160 HydrophobicContact CB-CB 3.97Å; E156-D160 HydrophobicContact CG-CB 4.1Å; E156-V161 HydrophobicContact CB-CG2 4.02Å; E156-R164 IonicContact OE1-CZ 3.31Å; E156-R164 IonicContact OE1-NE 2.73Å; E156-R164 PolarHBondContact OE1-NE 2.92Å; E156-R164 IonicContact OE1-NH2 2.78Å; E156-R164 IonicContact OE2-NH2 2.93Å
157S98.5Very high98.5Very high3 Ų341.3 Ų41.32%0.02121%0.213CC..  trans-73.6175154.3660000110.4Y119 T122 K159 D160 V161Y119-S157 WeakPolarHBondContact O-CB 3.4Å; T122-S157 WeakPolarHBondContact OG1-CB 3.44Å; S157-K159 PolarHBondContact O-N 3.45Å; S157-K159 PolarHBondContact OG-N 3.17Å; S157-D160 WeakPolarHBondContact CB-OD2 3.49Å; S157-D160 PolarHBondContact N-OD2 3.4Å; S157-D160 PolarHBondContact O-N 3.05Å; S157-D160 PolarHBondContact OG-N 3.28Å; S157-D160 VanDerWaalsContact OG-N 3.1Å; S157-D160 PolarHBondContact OG-OD2 3.13Å; S157-V161 WeakPolarHBondContact O-CG2 3.16Å; S157-V161 PolarHBondContact O-N 3.25Å
158L98.6Very high98.5Very high0 Ų040.5 Ų40.50%021%0.207CC..Hα-helixtrans-70.1-27.4172.8-168.268.2000111.5Y119 V161 L162 N190 R193 A194 I207Y119-L158 HydrophobicContact CD2-CB 4.02Å; Y119-L158 HydrophobicContact CD2-CD2 4.17Å; Y119-L158 HydrophobicContact CD2-CG 4.2Å; Y119-L158 PolarHBondContact O-N 3.18Å; Y119-L158 VanDerWaalsContact O-N 3.1Å; L158-V161 WeakPolarHBondContact O-CB 3.2Å; L158-L162 PolarHBondContact O-N 3.36Å; L158-N190 HydrophobicContact CD1-CB 3.74Å; L158-N190 VanDerWaalsContact CD1-O 3.26Å; L158-N190 WeakPolarHBondContact CD1-O 3.37Å; L158-R193 HydrophobicContact CD1-CB 4.44Å; L158-A194 HydrophobicContact CD1-CB 3.96Å; L158-A194 HydrophobicContact CG-CB 4.31Å; L158-I207 HydrophobicContact CD2-CG1 3.72Å; L158-I207 HydrophobicContact CD2-CG2 4.16Å
159K98.7Very high98.5Very high83 Ų8337.8 Ų37.836%0.36119%0.188SC..Hα-helixtrans-61.9-50.8171.4179.1179.4171.2-174.50111.2Y119 S157 V161 L162 E163Y119-K159 HydrophobicContact CD1-CB 4.25Å; Y119-K159 HydrophobicContact CD2-CB 4.26Å; Y119-K159 HydrophobicContact CE1-CB 3.84Å; Y119-K159 HydrophobicContact CE1-CD 4.2Å; Y119-K159 HydrophobicContact CE1-CG 4.03Å; Y119-K159 VanDerWaalsContact CE2-CA 3.5Å; Y119-K159 HydrophobicContact CE2-CB 3.83Å; Y119-K159 HydrophobicContact CE2-CG 4.47Å; Y119-K159 HydrophobicContact CG-CB 4.47Å; Y119-K159 PolarHBondContact O-N 3.32Å; S157-K159 PolarHBondContact O-N 3.45Å; S157-K159 PolarHBondContact OG-N 3.17Å; K159-V161 VanDerWaalsContact C-N 3.25Å; K159-V161 PolarHBondContact O-N 3Å; K159-L162 WeakPolarHBondContact O-CB 3.17Å; K159-L162 PolarHBondContact O-N 3.13Å; K159-E163 WeakPolarHBondContact CE-OE1 3.48Å; K159-E163 IonicContact NZ-OE1 2.77Å; K159-E163 WeakPolarHBondContact O-CG 3.47Å; K159-E163 PolarHBondContact O-N 3.47Å
160D98.8Very high98.6Very high51 Ų5139.4 Ų39.427%0.27320%0.197SC..Hα-helixtrans-58.9-41178.8-54.8-42.2000110.9E156 S157 L162 E163 R164E156-D160 HydrophobicContact CB-CB 3.97Å; E156-D160 HydrophobicContact CG-CB 4.1Å; S157-D160 WeakPolarHBondContact CB-OD2 3.49Å; S157-D160 PolarHBondContact N-OD2 3.4Å; S157-D160 PolarHBondContact O-N 3.05Å; S157-D160 PolarHBondContact OG-N 3.28Å; S157-D160 VanDerWaalsContact OG-N 3.1Å; S157-D160 PolarHBondContact OG-OD2 3.13Å; D160-L162 VanDerWaalsContact C-N 3.35Å; D160-L162 PolarHBondContact O-N 3.31Å; D160-E163 PolarHBondContact O-N 3.48Å; D160-R164 WeakPolarHBondContact O-CG 3.4Å; D160-R164 PolarHBondContact O-N 2.85Å; D160-R164 VanDerWaalsContact O-N 3.12Å
161V98.9Very high98.7Very high0 Ų040.5 Ų40.50%020%0.199CC..Hα-helixtrans-56.6-47173.3166.30000111.7R90 E156 S157 L158 K159 R164 L165 A194R90-V161 HydrophobicContact CB-CG2 3.68Å; R90-V161 HydrophobicContact CG-CG2 3.86Å; E156-V161 HydrophobicContact CB-CG2 4.02Å; S157-V161 WeakPolarHBondContact O-CG2 3.16Å; S157-V161 PolarHBondContact O-N 3.25Å; L158-V161 WeakPolarHBondContact O-CB 3.2Å; K159-V161 VanDerWaalsContact C-N 3.25Å; K159-V161 PolarHBondContact O-N 3Å; V161-R164 VanDerWaalsContact O-CD 3.32Å; V161-R164 WeakPolarHBondContact O-CD 3.24Å; V161-R164 PolarHBondContact O-NE 2.87Å; V161-L165 WeakPolarHBondContact O-CB 3.49Å; V161-L165 PolarHBondContact O-N 3.39Å; V161-A194 HydrophobicContact CB-CB 4.48Å; V161-A194 HydrophobicContact CG1-CB 3.67Å
162L98.7Very high98.7Very high15 Ų1540.2 Ų40.28%0.07919%0.192CC..Hα-helixtrans-66.3-41.1179.3-176.955.6000111.3Y119 L158 K159 D160 R164 L165 L166 A194 H198Y119-L162 HydrophobicContact CE2-CD2 4.49Å; L158-L162 PolarHBondContact O-N 3.36Å; K159-L162 WeakPolarHBondContact O-CB 3.17Å; K159-L162 PolarHBondContact O-N 3.13Å; D160-L162 VanDerWaalsContact C-N 3.35Å; D160-L162 PolarHBondContact O-N 3.31Å; L162-R164 VanDerWaalsContact C-N 3.33Å; L162-R164 PolarHBondContact O-N 3.47Å; L162-L165 PolarHBondContact O-N 3.26Å; L162-L165 VanDerWaalsContact O-N 3.17Å; L162-L166 HydrophobicContact CD1-CB 4.14Å; L162-L166 WeakPolarHBondContact O-CB 3.29Å; L162-L166 PolarHBondContact O-N 3.2Å; L162-A194 HydrophobicContact CB-CB 4.12Å; L162-A194 HydrophobicContact CD1-CB 4.41Å; L162-H198 HydrophobicContact CD1-CB 3.95Å; L162-H198 HydrophobicContact CD2-CB 4.34Å
163E98.8Very high98.7Very high111 Ų11140 Ų4052%0.51919%0.191SC..Hα-helixtrans-59.5-40.5179.2-72.7-179.5177.700112.4K159 D160 P167K159-E163 WeakPolarHBondContact CE-OE1 3.48Å; K159-E163 IonicContact NZ-OE1 2.77Å; K159-E163 WeakPolarHBondContact O-CG 3.47Å; K159-E163 PolarHBondContact O-N 3.47Å; D160-E163 PolarHBondContact O-N 3.48Å; E163-P167 WeakPolarHBondContact O-CD 3.09Å
164R98.7Very high98.7Very high17 Ų1739.1 Ų39.16%0.06419%0.185CC..Hα-helixtrans-81.6-23174.860.275.7174.2161.7-4.7114.5W85 R86 N88 E156 D160 V161 L162W85-R164 HydrophobicContact CH2-CB 3.8Å; W85-R164 HydrophobicContact CH2-CG 4.11Å; W85-R164 HydrophobicContact CZ3-CB 4.26Å; W85-R164 HydrophobicContact CZ3-CG 4.05Å; R86-R164 VanDerWaalsContact C-NH1 3.3Å; R86-R164 WeakPolarHBondContact CB-O 3.43Å; R86-R164 VanDerWaalsContact CD-O 3.27Å; R86-R164 WeakPolarHBondContact CD-O 3.32Å; R86-R164 WeakPolarHBondContact CG-O 3.33Å; R86-R164 PolarHBondContact NH1-O 3.44Å; R86-R164 PolarHBondContact O-NH1 3.29Å; N88-R164 PolarHBondContact O-NH1 3.46Å; N88-R164 PolarHBondContact O-NH2 3.22Å; E156-R164 IonicContact OE1-CZ 3.31Å; E156-R164 IonicContact OE1-NE 2.73Å; E156-R164 PolarHBondContact OE1-NE 2.92Å; E156-R164 IonicContact OE1-NH2 2.78Å; E156-R164 IonicContact OE2-NH2 2.93Å; D160-R164 WeakPolarHBondContact O-CG 3.4Å; D160-R164 PolarHBondContact O-N 2.85Å; D160-R164 VanDerWaalsContact O-N 3.12Å; V161-R164 VanDerWaalsContact O-CD 3.32Å; V161-R164 WeakPolarHBondContact O-CD 3.24Å; V161-R164 PolarHBondContact O-NE 2.87Å; L162-R164 VanDerWaalsContact C-N 3.33Å; L162-R164 PolarHBondContact O-N 3.47Å
165L98.9Very high98.7Very high2 Ų238.5 Ų38.51%0.0119%0.189CC..Hα-helixtrans-85.4-38.7-177.6-175.7153.5000111.9R86 L87 V161 L162 Y168 W169 S191 L195R86-L165 WeakPolarHBondContact O-CB 3.48Å; R86-L165 WeakPolarHBondContact O-CG 3.28Å; L87-L165 HydrophobicContact CD2-CD1 3.9Å; L87-L165 HydrophobicContact CD2-CG 4.15Å; V161-L165 WeakPolarHBondContact O-CB 3.49Å; V161-L165 PolarHBondContact O-N 3.39Å; L162-L165 PolarHBondContact O-N 3.26Å; L162-L165 VanDerWaalsContact O-N 3.17Å; L165-Y168 WeakPolarHBondContact O-CB 3.17Å; L165-Y168 PolarHBondContact O-N 3.11Å; L165-W169 HydrophobicContact CD2-CB 4.32Å; L165-W169 PolarHBondContact O-N 3.29Å; L165-S191 WeakPolarHBondContact CD1-O 3.29Å; L165-L195 HydrophobicContact CD2-CB 4.08Å; L165-L195 HydrophobicContact CD2-CD1 3.91Å; L165-L195 HydrophobicContact CD2-CG 4.41Å
166L98.7Very high98.7Very high42 Ų4239.2 Ų39.222%0.2219%0.19CC..Hα-helixtrans-61.9-39.1-172.3-172.461.2000113.7L162 Y168 W169 N170L162-L166 HydrophobicContact CD1-CB 4.14Å; L162-L166 WeakPolarHBondContact O-CB 3.29Å; L162-L166 PolarHBondContact O-N 3.2Å; L166-Y168 VanDerWaalsContact C-N 3.32Å; L166-Y168 PolarHBondContact O-N 3.31Å; L166-W169 PolarHBondContact O-N 3.45Å; L166-N170 WeakPolarHBondContact O-CB 3.45Å; L166-N170 PolarHBondContact O-N 2.62Å; L166-N170 PolarHBondContact O-ND2 3.49Å
167P98.7Very high98.6Very high41 Ų4139.1 Ų39.127%0.26619%0.19SC..Hα-helixtrans-57.1-44170.5-26.736.2000112.4E163 W169 N170 E171E163-P167 WeakPolarHBondContact O-CD 3.09Å; P167-W169 PolarHBondContact O-N 2.83Å; P167-N170 PolarHBondContact O-N 3.02Å; P167-E171 VanDerWaalsContact O-CB 3.22Å; P167-E171 WeakPolarHBondContact O-CB 3.5Å; P167-E171 VanDerWaalsContact O-CG 3.23Å; P167-E171 WeakPolarHBondContact O-CG 3.31Å; P167-E171 PolarHBondContact O-N 3.31Å
168Y98.9Very high98.6Very high12 Ų1243 Ų435%0.04721%0.21CC..Hα-helixtrans-64.9-41.7178.4-168.7-105.1000112.6F56 E82 S84 R86 L87 L165 L166 R172 I173F56-Y168 AromaticContact CD1-CE1 3.97Å; F56-Y168 HydrophobicContact CD1-CE1 3.97Å; E82-Y168 PolarHBondContact OE1-OH 2.84Å; S84-Y168 VanDerWaalsContact CB-OH 3.27Å; S84-Y168 WeakPolarHBondContact CB-OH 3.1Å; S84-Y168 WeakPolarHBondContact OG-CE2 3.47Å; R86-Y168 HydrophobicContact CB-CD2 4.43Å; R86-Y168 HydrophobicContact CB-CG 4.07Å; L87-Y168 HydrophobicContact CD1-CD1 4.23Å; L87-Y168 HydrophobicContact CD1-CE1 3.7Å; L87-Y168 HydrophobicContact CD2-CD1 4.44Å; L87-Y168 HydrophobicContact CG-CD1 4.03Å; L87-Y168 HydrophobicContact CG-CE1 3.96Å; L165-Y168 WeakPolarHBondContact O-CB 3.17Å; L165-Y168 PolarHBondContact O-N 3.11Å; L166-Y168 VanDerWaalsContact C-N 3.32Å; L166-Y168 PolarHBondContact O-N 3.31Å; Y168-R172 HydrophobicContact CD2-CB 4.39Å; Y168-R172 HydrophobicContact CD2-CG 4.26Å; Y168-R172 HydrophobicContact CE2-CB 4.32Å; Y168-R172 HydrophobicContact CE2-CG 4.31Å; Y168-R172 WeakPolarHBondContact O-CB 3.4Å; Y168-R172 PolarHBondContact O-N 2.85Å; Y168-I173 HydrophobicContact CD1-CD1 3.9Å; Y168-I173 HydrophobicContact CD1-CG1 4.24Å; Y168-I173 HydrophobicContact CE1-CD1 3.93Å; Y168-I173 HydrophobicContact CE1-CG1 4.17Å; Y168-I173 PolarHBondContact O-N 2.94Å
169W98.8Very high98.5Very high4 Ų450.1 Ų50.12%0.01524%0.236CC..Iπ-helixtrans-57.8-54.5172.4166.6-98.7000110.7L6 L165 L166 P167 E171 I173 A174 V177 I185 L195 L199 L222 L226L6-W169 HydrophobicContact CD2-CH2 3.87Å; L6-W169 HydrophobicContact CD2-CZ3 3.77Å; L165-W169 HydrophobicContact CD2-CB 4.32Å; L165-W169 PolarHBondContact O-N 3.29Å; L166-W169 PolarHBondContact O-N 3.45Å; P167-W169 PolarHBondContact O-N 2.83Å; W169-E171 PolarHBondContact O-N 2.91Å; W169-I173 HydrophobicContact CD2-CB 4.48Å; W169-I173 HydrophobicContact CE3-CB 3.8Å; W169-I173 HydrophobicContact CE3-CD1 4.26Å; W169-I173 HydrophobicContact CE3-CG2 3.65Å; W169-I173 HydrophobicContact CH2-CG2 4.47Å; W169-I173 HydrophobicContact CZ3-CB 4.2Å; W169-I173 HydrophobicContact CZ3-CG2 3.54Å; W169-I173 PolarHBondContact O-N 3.35Å; W169-I173 VanDerWaalsContact O-N 3.12Å; W169-A174 HydrophobicContact CD2-CB 4.49Å; W169-A174 HydrophobicContact CZ2-CB 4.35Å; W169-A174 VanDerWaalsContact O-CB 3.25Å; W169-A174 WeakPolarHBondContact O-CB 3.38Å; W169-A174 PolarHBondContact O-N 3.36Å; W169-V177 HydrophobicContact CH2-CG2 4.29Å; W169-I185 HydrophobicContact CE3-CD1 4.43Å; W169-I185 HydrophobicContact CZ3-CD1 4.14Å; W169-L195 HydrophobicContact CB-CD1 4.23Å; W169-L195 HydrophobicContact CD2-CD1 3.75Å; W169-L195 HydrophobicContact CE3-CD1 3.82Å; W169-L195 HydrophobicContact CE3-CD2 3.91Å; W169-L195 HydrophobicContact CE3-CG 4.47Å; W169-L195 HydrophobicContact CG-CD1 3.9Å; W169-L195 HydrophobicContact CZ3-CD1 4.49Å; W169-L195 HydrophobicContact CZ3-CD2 4.2Å; W169-L199 HydrophobicContact CH2-CD1 3.92Å; W169-L199 HydrophobicContact CH2-CD2 4.24Å; W169-L199 HydrophobicContact CZ2-CD1 4.03Å; W169-L199 HydrophobicContact CZ2-CD2 3.5Å; W169-L199 HydrophobicContact CZ2-CG 4.41Å; W169-L199 HydrophobicContact CZ3-CD1 4.34Å; W169-L222 HydrophobicContact CH2-CD1 4.01Å; W169-L222 HydrophobicContact CZ2-CD1 4.23Å; W169-L226 HydrophobicContact CZ2-CD1 4.39Å
170N98.7Very high98.4Very high83 Ų8348.5 Ų48.544%0.44424%0.243SC..Iπ-helixtrans-65.5-37.3-174.9-72.5-25.9000113.4L166 P167 P175L166-N170 WeakPolarHBondContact O-CB 3.45Å; L166-N170 PolarHBondContact O-N 2.62Å; L166-N170 PolarHBondContact O-ND2 3.49Å; P167-N170 PolarHBondContact O-N 3.02Å; N170-P175 WeakPolarHBondContact O-CD 3.39Å; N170-P175 WeakPolarHBondContact O-CG 3.35Å
171E98.7Very high98.3Very high143 Ų14349.8 Ų49.867%0.66825%0.247SC*.Iπ-helixtrans-91.8-28.3-171.4-66.1168-156.100113.2P167 W169P167-E171 VanDerWaalsContact O-CB 3.22Å; P167-E171 WeakPolarHBondContact O-CB 3.5Å; P167-E171 VanDerWaalsContact O-CG 3.23Å; P167-E171 WeakPolarHBondContact O-CG 3.31Å; P167-E171 PolarHBondContact O-N 3.31Å; W169-E171 PolarHBondContact O-N 2.91Å
172R98.6Very high98.3Very high123 Ų12351.6 Ų51.646%0.46426%0.258SS..Iπ-helixtrans-123.2-30.4-171.5-56.4-159.166.293.81115.1F56 E82 Y168 E176F56-R172 WeakPolarHBondContact CZ-O 3.38Å; E82-R172 WeakPolarHBondContact OE1-CD 3.28Å; E82-R172 IonicContact OE1-CZ 3.54Å; E82-R172 IonicContact OE1-NE 2.76Å; E82-R172 PolarHBondContact OE1-NE 3.25Å; E82-R172 IonicContact OE1-NH2 3.63Å; E82-R172 IonicContact OE2-CZ 3.48Å; E82-R172 IonicContact OE2-NE 3.18Å; E82-R172 PolarHBondContact OE2-NE 2.93Å; E82-R172 IonicContact OE2-NH2 2.77Å; E82-R172 PolarHBondContact OE2-NH2 3.17Å; Y168-R172 HydrophobicContact CD2-CB 4.39Å; Y168-R172 HydrophobicContact CD2-CG 4.26Å; Y168-R172 HydrophobicContact CE2-CB 4.32Å; Y168-R172 HydrophobicContact CE2-CG 4.31Å; Y168-R172 WeakPolarHBondContact O-CB 3.4Å; Y168-R172 PolarHBondContact O-N 2.85Å; R172-E176 WeakPolarHBondContact O-CG 3.27Å
173I98.8Very high98.3Very high1 Ų150.9 Ų50.91%0.00525%0.254CS..Iπ-helixtrans-99.8-53.4-176.7-52.8-179.4000111.5F56 Y168 W169 P175 E176 V177 I183 I185F56-I173 HydrophobicContact CB-CD1 4.2Å; F56-I173 HydrophobicContact CD1-CD1 4.3Å; F56-I173 HydrophobicContact CD1-CG1 3.93Å; F56-I173 HydrophobicContact CD2-CD1 4.24Å; F56-I173 HydrophobicContact CD2-CG1 3.94Å; F56-I173 HydrophobicContact CD2-CG2 4.22Å; F56-I173 HydrophobicContact CE1-CG1 3.96Å; F56-I173 HydrophobicContact CE2-CB 4.34Å; F56-I173 HydrophobicContact CE2-CG1 3.97Å; F56-I173 HydrophobicContact CE2-CG2 4.12Å; F56-I173 HydrophobicContact CG-CD1 3.99Å; F56-I173 HydrophobicContact CG-CG1 3.91Å; F56-I173 HydrophobicContact CZ-CG1 3.98Å; Y168-I173 HydrophobicContact CD1-CD1 3.9Å; Y168-I173 HydrophobicContact CD1-CG1 4.24Å; Y168-I173 HydrophobicContact CE1-CD1 3.93Å; Y168-I173 HydrophobicContact CE1-CG1 4.17Å; Y168-I173 PolarHBondContact O-N 2.94Å; W169-I173 HydrophobicContact CD2-CB 4.48Å; W169-I173 HydrophobicContact CE3-CB 3.8Å; W169-I173 HydrophobicContact CE3-CD1 4.26Å; W169-I173 HydrophobicContact CE3-CG2 3.65Å; W169-I173 HydrophobicContact CH2-CG2 4.47Å; W169-I173 HydrophobicContact CZ3-CB 4.2Å; W169-I173 HydrophobicContact CZ3-CG2 3.54Å; W169-I173 PolarHBondContact O-N 3.35Å; W169-I173 VanDerWaalsContact O-N 3.12Å; I173-P175 VanDerWaalsContact C-CD 3.44Å; I173-E176 VanDerWaalsContact O-CB 3.32Å; I173-E176 WeakPolarHBondContact O-CB 3.4Å; I173-E176 PolarHBondContact O-N 3.39Å; I173-V177 HydrophobicContact CG2-CG2 4.36Å; I173-V177 PolarHBondContact O-N 2.87Å; I173-V177 VanDerWaalsContact O-N 3.14Å; I173-I183 HydrophobicContact CG2-CG2 4.16Å; I173-I185 HydrophobicContact CD1-CD1 4.03Å; I173-I185 HydrophobicContact CD1-CG1 4.49Å; I173-I185 HydrophobicContact CG2-CD1 4.25Å
174A98.5Very high98.3Very high5 Ų545.6 Ų45.64%0.04123%0.229CC..Hα-helixtrans-53.1-41.2-179.200000114W169 E176 V177 L178 L226W169-A174 HydrophobicContact CD2-CB 4.49Å; W169-A174 HydrophobicContact CZ2-CB 4.35Å; W169-A174 VanDerWaalsContact O-CB 3.25Å; W169-A174 WeakPolarHBondContact O-CB 3.38Å; W169-A174 PolarHBondContact O-N 3.36Å; A174-E176 PolarHBondContact O-N 3Å; A174-V177 PolarHBondContact O-N 2.86Å; A174-L178 WeakPolarHBondContact O-CG 3.43Å; A174-L178 PolarHBondContact O-N 3.43Å; A174-L226 HydrophobicContact CB-CD1 3.39Å
175P98.4Very high98.3Very high47 Ų4744.9 Ų44.931%0.30523%0.227SC..Hα-helixtrans-65.1-27.7177.3-23.236.3000113.5N170 I173 R179N170-P175 WeakPolarHBondContact O-CD 3.39Å; N170-P175 WeakPolarHBondContact O-CG 3.35Å; I173-P175 VanDerWaalsContact C-CD 3.44Å; P175-R179 WeakPolarHBondContact O-CG 3.44Å; P175-R179 PolarHBondContact O-N 3.01Å; P175-R179 PolarHBondContact O-NE 3.47Å; P175-R179 VanDerWaalsContact O-NE 3.14Å
176E98.4Very high98.3Very high38 Ų3844.8 Ų44.818%0.17823%0.226CC..Hα-helixtrans-73.2-45.2174.7-53.2-67.3155.100110.2L54 F56 R172 I173 A174 L178 R179 G180 K181 I183L54-E176 HydrophobicContact CD1-CB 3.96Å; L54-E176 HydrophobicContact CD1-CG 3.47Å; L54-E176 VanDerWaalsContact CD1-CG 3.47Å; L54-E176 WeakPolarHBondContact CD1-OE2 3.46Å; F56-E176 HydrophobicContact CZ-CG 4.36Å; R172-E176 WeakPolarHBondContact O-CG 3.27Å; I173-E176 VanDerWaalsContact O-CB 3.32Å; I173-E176 WeakPolarHBondContact O-CB 3.4Å; I173-E176 PolarHBondContact O-N 3.39Å; A174-E176 PolarHBondContact O-N 3Å; E176-L178 VanDerWaalsContact C-N 3.34Å; E176-L178 PolarHBondContact O-N 3.39Å; E176-R179 VanDerWaalsContact CD-CZ 3.47Å; E176-R179 WeakPolarHBondContact O-CA 3.45Å; E176-R179 WeakPolarHBondContact O-CB 3.37Å; E176-R179 PolarHBondContact O-N 3.47Å; E176-R179 IonicContact OE1-CZ 3.55Å; E176-R179 IonicContact OE1-NH1 3.75Å; E176-R179 IonicContact OE1-NH2 2.62Å; E176-R179 PolarHBondContact OE1-NH2 3.14Å; E176-R179 IonicContact OE2-CZ 2.97Å; E176-R179 IonicContact OE2-NH1 2.66Å; E176-R179 PolarHBondContact OE2-NH1 3.38Å; E176-R179 IonicContact OE2-NH2 2.86Å; E176-R179 PolarHBondContact OE2-NH2 3.46Å; E176-G180 PolarHBondContact O-N 3.27Å; E176-K181 HydrophobicContact CB-CB 4.19Å; E176-K181 HydrophobicContact CB-CG 4.36Å; E176-K181 VanDerWaalsContact O-CB 3.26Å; E176-K181 WeakPolarHBondContact O-CB 3.44Å; E176-K181 WeakPolarHBondContact O-CG 3.48Å; E176-K181 PolarHBondContact O-N 3Å; E176-K181 VanDerWaalsContact O-N 3.15Å; E176-I183 HydrophobicContact CB-CD1 3.81Å; E176-I183 HydrophobicContact CB-CG1 4.48Å
177V97.9Very high98.3Very high1 Ų142.8 Ų42.81%0.00622%0.216CC..Hα-helixtrans-58.1-46.5176.5179.40000110.7Y4 W169 I173 A174 R179 G180 I183 L222 L226Y4-V177 HydrophobicContact CD1-CG1 4.35Å; Y4-V177 WeakPolarHBondContact CD1-O 3.3Å; Y4-V177 HydrophobicContact CD2-CG1 4.17Å; Y4-V177 VanDerWaalsContact CE1-O 3.3Å; Y4-V177 WeakPolarHBondContact CE1-O 3.47Å; Y4-V177 HydrophobicContact CG-CG1 3.78Å; W169-V177 HydrophobicContact CH2-CG2 4.29Å; I173-V177 HydrophobicContact CG2-CG2 4.36Å; I173-V177 PolarHBondContact O-N 2.87Å; I173-V177 VanDerWaalsContact O-N 3.14Å; A174-V177 PolarHBondContact O-N 2.86Å; V177-R179 PolarHBondContact O-N 3.43Å; V177-G180 WeakPolarHBondContact O-CA 3.37Å; V177-G180 PolarHBondContact O-N 2.94Å; V177-I183 HydrophobicContact CG2-CG1 3.86Å; V177-L222 HydrophobicContact CG1-CD1 4.2Å; V177-L226 HydrophobicContact CB-CD2 4.14Å; V177-L226 HydrophobicContact CG1-CD2 3.59Å
178L97.1Very high98.3Very high83 Ų8340.8 Ų40.844%0.43520%0.203SC..Hα-helixtrans-62.7-24.9177.3-73.3172.2000113.5Y4 A174 E176 G180 L226Y4-L178 HydrophobicContact CE2-CD2 4.12Å; A174-L178 WeakPolarHBondContact O-CG 3.43Å; A174-L178 PolarHBondContact O-N 3.43Å; E176-L178 VanDerWaalsContact C-N 3.34Å; E176-L178 PolarHBondContact O-N 3.39Å; L178-G180 PolarHBondContact O-N 3.34Å; L178-L226 HydrophobicContact CD1-CD1 4.13Å; L178-L226 HydrophobicContact CD2-CD1 4.32Å; L178-L226 HydrophobicContact CD2-CD2 3.84Å; L178-L226 HydrophobicContact CD2-CG 3.94Å; L178-L226 HydrophobicContact CG-CD1 3.96Å; L178-L226 HydrophobicContact CG-CD2 4.06Å; L178-L226 HydrophobicContact CG-CG 4.13Å
179R97Very high98.2Very high150 Ų15040.6 Ų40.657%0.56620%0.204SC*.THydrogen-bonded Turntrans-80.65.2172.1-79.6-175.9-79.1135.2-19.6113.7P175 E176 V177 K181P175-R179 WeakPolarHBondContact O-CG 3.44Å; P175-R179 PolarHBondContact O-N 3.01Å; P175-R179 PolarHBondContact O-NE 3.47Å; P175-R179 VanDerWaalsContact O-NE 3.14Å; E176-R179 VanDerWaalsContact CD-CZ 3.47Å; E176-R179 WeakPolarHBondContact O-CA 3.45Å; E176-R179 WeakPolarHBondContact O-CB 3.37Å; E176-R179 PolarHBondContact O-N 3.47Å; E176-R179 IonicContact OE1-CZ 3.55Å; E176-R179 IonicContact OE1-NH1 3.75Å; E176-R179 IonicContact OE1-NH2 2.62Å; E176-R179 PolarHBondContact OE1-NH2 3.14Å; E176-R179 IonicContact OE2-CZ 2.97Å; E176-R179 IonicContact OE2-NH1 2.66Å; E176-R179 PolarHBondContact OE2-NH1 3.38Å; E176-R179 IonicContact OE2-NH2 2.86Å; E176-R179 PolarHBondContact OE2-NH2 3.46Å; V177-R179 PolarHBondContact O-N 3.43Å; R179-K181 VanDerWaalsContact C-N 3.3Å; R179-K181 HydrophobicContact CB-CG 4.37Å
180G96.2Very high98.2Very high49 Ų4940.5 Ų40.551%0.50520%0.204SC..THydrogen-bonded Turntrans76.216.6-179.800000113.6E176 V177 L178E176-G180 PolarHBondContact O-N 3.27Å; V177-G180 WeakPolarHBondContact O-CA 3.37Å; V177-G180 PolarHBondContact O-N 2.94Å; L178-G180 PolarHBondContact O-N 3.34Å
181K97.5Very high98.2Very high78 Ų7836.6 Ų36.634%0.33918%0.183SC..  trans-72.4137.8176-63-52.6-155.1165.90110.8D53 E176 R179 I183D53-K181 HydrophobicContact CB-CB 3.94Å; D53-K181 HydrophobicContact CB-CD 3.75Å; D53-K181 HydrophobicContact CB-CG 4.3Å; D53-K181 VanDerWaalsContact CG-CD 3.5Å; D53-K181 WeakPolarHBondContact OD1-CD 3.17Å; D53-K181 IonicContact OD1-NZ 2.77Å; D53-K181 PolarHBondContact OD1-NZ 3.32Å; D53-K181 WeakPolarHBondContact OD2-CA 3.14Å; E176-K181 HydrophobicContact CB-CB 4.19Å; E176-K181 HydrophobicContact CB-CG 4.36Å; E176-K181 VanDerWaalsContact O-CB 3.26Å; E176-K181 WeakPolarHBondContact O-CB 3.44Å; E176-K181 WeakPolarHBondContact O-CG 3.48Å; E176-K181 PolarHBondContact O-N 3Å; E176-K181 VanDerWaalsContact O-N 3.15Å; R179-K181 VanDerWaalsContact C-N 3.3Å; R179-K181 HydrophobicContact CB-CG 4.37Å; K181-I183 HydrophobicContact CB-CD1 3.78Å
182T97.8Very high98.2Very high38 Ų3829.9 Ų29.923%0.23315%0.152CC..  trans-85.1116173.6-54.80000109.3F50 E51 F52 D53F50-T182 HydrophobicContact CD1-CG2 3.87Å; F50-T182 HydrophobicContact CE1-CG2 4.11Å; E51-T182 WeakPolarHBondContact O-CB 3.35Å; E51-T182 WeakPolarHBondContact O-CG2 3.49Å; E51-T182 PolarHBondContact O-OG1 2.96Å; F52-T182 HydrophobicContact CD1-CG2 3.85Å; F52-T182 HydrophobicContact CE1-CG2 4.1Å; D53-T182 PolarHBondContact N-O 2.87Å; D53-T182 PolarHBondContact OD2-N 2.82Å
183I98.7Very high98.2Very high0 Ų024.1 Ų24.10%013%0.13CC..EExtended strand (participates in β ladder)trans-110.3139-170.6-51.9-59.1000111.2L6 I7 L54 F56 I173 E176 V177 K181 I185L6-I183 HydrophobicContact CD1-CB 3.65Å; L6-I183 HydrophobicContact CD1-CG2 3.85Å; I7-I183 PolarHBondContact N-O 3.18Å; L54-I183 HydrophobicContact CB-CD1 3.73Å; L54-I183 HydrophobicContact CD1-CD1 4.09Å; L54-I183 HydrophobicContact CG-CD1 4.33Å; F56-I183 HydrophobicContact CD2-CG2 3.55Å; F56-I183 HydrophobicContact CE2-CD1 4.29Å; F56-I183 HydrophobicContact CE2-CG2 3.81Å; I173-I183 HydrophobicContact CG2-CG2 4.16Å; E176-I183 HydrophobicContact CB-CD1 3.81Å; E176-I183 HydrophobicContact CB-CG1 4.48Å; V177-I183 HydrophobicContact CG2-CG1 3.86Å; K181-I183 HydrophobicContact CB-CD1 3.78Å; I183-I185 HydrophobicContact CG2-CG1 4.17Å
184L98.8Very high98.1Very high0 Ų024 Ų240%013%0.13CC..EExtended strand (participates in β ladder)trans-106.7127.6164.8178.360.9000110.4I7 L9 F52 L54 V55 F56 I70I7-L184 HydrophobicContact CB-CD1 4.05Å; I7-L184 HydrophobicContact CG2-CD1 3.55Å; I7-L184 CarbonylContact O-C 3.6Å; I7-L184 WeakPolarHBondContact O-CA 3.28Å; L9-L184 HydrophobicContact CD2-CD1 3.57Å; L9-L184 HydrophobicContact CD2-CG 4.48Å; F52-L184 HydrophobicContact CD1-CB 3.69Å; F52-L184 HydrophobicContact CE1-CB 3.67Å; F52-L184 HydrophobicContact CE1-CD1 4.4Å; F52-L184 HydrophobicContact CE2-CD2 4.47Å; F52-L184 HydrophobicContact CG-CB 4.15Å; F52-L184 HydrophobicContact CZ-CB 4.11Å; F52-L184 HydrophobicContact CZ-CD1 4.2Å; L54-L184 PolarHBondContact O-N 2.82Å; V55-L184 CarbonylContact C-O 3.57Å; V55-L184 WeakPolarHBondContact CA-O 3.21Å; V55-L184 HydrophobicContact CB-CB 4.47Å; V55-L184 HydrophobicContact CG1-CB 4.24Å; V55-L184 HydrophobicContact CG1-CD2 4.07Å; V55-L184 HydrophobicContact CG1-CG 4.17Å; V55-L184 HydrophobicContact CG2-CB 4.07Å; V55-L184 HydrophobicContact CG2-CD2 4.13Å; F56-L184 PolarHBondContact N-O 2.85Å; I70-L184 HydrophobicContact CG2-CD2 3.91Å
185I98.9Very high98.2Very high2 Ų224 Ų241%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-111.4104.5169.2-57.3176000109.4L6 I7 M8 L9 F56 L87 W169 I173 I183 A187 L195L6-I185 HydrophobicContact CD1-CD1 3.88Å; L6-I185 HydrophobicContact CD1-CG1 4.04Å; L6-I185 HydrophobicContact CD2-CD1 4.11Å; L6-I185 HydrophobicContact CG-CD1 4.47Å; I7-I185 PolarHBondContact O-N 3.48Å; M8-I185 CarbonylContact C-O 3.55Å; M8-I185 VanDerWaalsContact CA-O 3.24Å; M8-I185 WeakPolarHBondContact CA-O 3.12Å; M8-I185 HydrophobicContact CB-CB 3.95Å; L9-I185 PolarHBondContact N-O 3.02Å; F56-I185 HydrophobicContact CB-CG1 4.46Å; F56-I185 CarbonylContact O-C 3.57Å; F56-I185 WeakPolarHBondContact O-CA 3.47Å; L87-I185 HydrophobicContact CD1-CG2 4.38Å; L87-I185 HydrophobicContact CD2-CG2 4.4Å; W169-I185 HydrophobicContact CE3-CD1 4.43Å; W169-I185 HydrophobicContact CZ3-CD1 4.14Å; I173-I185 HydrophobicContact CD1-CD1 4.03Å; I173-I185 HydrophobicContact CD1-CG1 4.49Å; I173-I185 HydrophobicContact CG2-CD1 4.25Å; I183-I185 HydrophobicContact CG2-CG1 4.17Å; I185-A187 HydrophobicContact CG2-CB 4.05Å; I185-L195 HydrophobicContact CD1-CD2 3.75Å
186S98.9Very high98.2Very high0 Ų021.7 Ų21.70%011%0.114CC..EExtended strand (participates in β ladder)trans-94.7105.5172.5-178.20000109.7F56 T57 S63F56-S186 PolarHBondContact O-N 3.34Å; T57-S186 VanDerWaalsContact CA-O 3.29Å; T57-S186 WeakPolarHBondContact CA-O 3.18Å; S63-S186 WeakPolarHBondContact CB-O 3.35Å; S63-S186 WeakPolarHBondContact O-CB 3.39Å; S63-S186 PolarHBondContact O-OG 3.01Å
187A98.7Very high98.2Very high0 Ų020.9 Ų20.90%011%0.11CC..EExtended strand (participates in β ladder)trans-138.3-142.1-17200000112.2L9 H11 I185L9-A187 PolarHBondContact O-N 3.5Å; H11-A187 PolarHBondContact CD2-O 3.36Å; H11-A187 PolarHBondContact N-O 3.25Å; I185-A187 HydrophobicContact CG2-CB 4.05Å
188H98.6Very high98.2Very high0 Ų023.5 Ų23.50%012%0.122CC..  trans-131.2171.4-170.3-54.3-97000111.2H11 S58 R62 L87 E89 N190 S191 S192H11-H188 AromaticContact CD2-CE1 3.77Å; H11-H188 AromaticContact CD2-CG 3.9Å; H11-H188 AromaticContact CD2-ND1 3.17Å; H11-H188 PolarHBondContact CD2-ND1 3.27Å; H11-H188 AromaticContact NE2-ND1 3.45Å; H11-H188 PolarHBondContact NE2-ND1 2.88Å; S58-H188 VanDerWaalsContact CB-NE2 3.32Å; S58-H188 WeakPolarHBondContact CB-NE2 3.42Å; S58-H188 PolarHBondContact OG-NE2 2.9Å; R62-H188 PolarHBondContact NE-CE1 2.77Å; R62-H188 VanDerWaalsContact NE-CE1 3.34Å; R62-H188 PolarHBondContact NE-ND1 3.06Å; R62-H188 PolarHBondContact NH2-CE1 2.95Å; R62-H188 VanDerWaalsContact NH2-CE1 3.31Å; R62-H188 PolarHBondContact NH2-ND1 3.42Å; R62-H188 VanDerWaalsContact NH2-ND1 3.18Å; L87-H188 PolarHBondContact O-CD2 2.99Å; E89-H188 HydrophobicContact CB-CB 3.62Å; E89-H188 HydrophobicContact CG-CB 4.07Å; E89-H188 PolarHBondContact N-CD2 2.98Å; H188-N190 PolarHBondContact O-N 3.18Å; H188-S191 PolarHBondContact N-OG 3.44Å; H188-S192 VanDerWaalsContact O-CB 3.26Å; H188-S192 WeakPolarHBondContact O-CB 3.41Å; H188-S192 PolarHBondContact O-N 3.14Å; H188-S192 PolarHBondContact O-OG 3.12Å
189G97.1Very high98.2Very high7 Ų719.6 Ų19.67%0.07210%0.102CC..Hα-helixtrans-56.9-50.6-174.900000112.9E89 R193E89-G189 PolarHBondContact OE2-N 2.75Å; G189-R193 WeakPolarHBondContact O-CB 3.27Å; G189-R193 WeakPolarHBondContact O-CD 3.16Å; G189-R193 WeakPolarHBondContact O-CG 3.25Å; G189-R193 PolarHBondContact O-N 3.14Å; G189-R193 VanDerWaalsContact O-N 3.12Å
190N98.2Very high98.3Very high2 Ų214.6 Ų14.61%0.0119%0.085CC..Hα-helixtrans-85.7-31.1-175-55.7-66.8000113.9E89 R90 Y92 R116 L158 H188 R193 A194E89-N190 WeakPolarHBondContact OE1-CA 3.37Å; E89-N190 WeakPolarHBondContact OE1-CB 3.22Å; E89-N190 PolarHBondContact OE1-N 2.86Å; E89-N190 PolarHBondContact OE1-ND2 3.07Å; R90-N190 HydrophobicContact CB-CB 3.76Å; Y92-N190 PolarHBondContact OH-ND2 2.9Å; R116-N190 PolarHBondContact O-OD1 3.39Å; L158-N190 HydrophobicContact CD1-CB 3.74Å; L158-N190 VanDerWaalsContact CD1-O 3.26Å; L158-N190 WeakPolarHBondContact CD1-O 3.37Å; H188-N190 PolarHBondContact O-N 3.18Å; N190-R193 PolarHBondContact O-N 3.15Å; N190-R193 PolarHBondContact OD1-NH1 3.15Å; N190-A194 WeakPolarHBondContact O-CB 3.48Å; N190-A194 PolarHBondContact O-N 3.33Å
191S98.7Very high98.3Very high1 Ų114.7 Ų14.71%0.0079%0.086CC..Hα-helixtrans-65.3-40.917344.60000111.7L87 N88 L165 H188 A194 L195L87-S191 WeakPolarHBondContact O-CB 3.33Å; L87-S191 PolarHBondContact O-OG 2.68Å; N88-S191 VanDerWaalsContact O-CB 3.3Å; N88-S191 WeakPolarHBondContact O-CB 3.22Å; N88-S191 PolarHBondContact O-OG 3.16Å; L165-S191 WeakPolarHBondContact CD1-O 3.29Å; H188-S191 PolarHBondContact N-OG 3.44Å; S191-A194 PolarHBondContact O-N 3.27Å; S191-L195 PolarHBondContact O-N 2.84Å; S191-L195 VanDerWaalsContact O-N 3.1Å
192S98.6Very high98.4Very high2 Ų212.2 Ų12.21%0.0148%0.076CC..Hα-helixtrans-66.6-41.6173.3-58.70000112H188 A194 L195 L196H188-S192 VanDerWaalsContact O-CB 3.26Å; H188-S192 WeakPolarHBondContact O-CB 3.41Å; H188-S192 PolarHBondContact O-N 3.14Å; H188-S192 PolarHBondContact O-OG 3.12Å; S192-A194 PolarHBondContact O-N 3.46Å; S192-L195 PolarHBondContact O-N 3.36Å; S192-L196 WeakPolarHBondContact O-CG 3.33Å; S192-L196 PolarHBondContact O-N 3.45Å
193R98.4Very high98.4Very high2 Ų212.2 Ų12.21%0.0088%0.078CC..Hα-helixtrans-59.9-42.7173.7-76.3169.869.2-113.6-9112.8R117 L158 G189 N190 L195 L196 K197 I207 I210 L212R117-R193 PolarHBondContact O-NH2 2.75Å; L158-R193 HydrophobicContact CD1-CB 4.44Å; G189-R193 WeakPolarHBondContact O-CB 3.27Å; G189-R193 WeakPolarHBondContact O-CD 3.16Å; G189-R193 WeakPolarHBondContact O-CG 3.25Å; G189-R193 PolarHBondContact O-N 3.14Å; G189-R193 VanDerWaalsContact O-N 3.12Å; N190-R193 PolarHBondContact O-N 3.15Å; N190-R193 PolarHBondContact OD1-NH1 3.15Å; R193-L195 VanDerWaalsContact C-N 3.33Å; R193-L196 PolarHBondContact O-N 2.76Å; R193-K197 WeakPolarHBondContact O-CB 3.28Å; R193-K197 PolarHBondContact O-N 3.21Å; R193-I207 HydrophobicContact CB-CD1 4.47Å; R193-I207 PolarHBondContact NH2-O 3.4Å; R193-I210 WeakPolarHBondContact CD-O 3.45Å; R193-I210 HydrophobicContact CG-CG2 4.32Å; R193-I210 PolarHBondContact NE-O 3.09Å; R193-L212 HydrophobicContact CG-CD1 3.84Å; R193-L212 HydrophobicContact CG-CG 3.92Å
194A98.7Very high98.3Very high0 Ų015.2 Ų15.20%09%0.093CC..Hα-helixtrans-61.2-44.317800000111.1L158 V161 L162 N190 S191 S192 K197 H198L158-A194 HydrophobicContact CD1-CB 3.96Å; L158-A194 HydrophobicContact CG-CB 4.31Å; V161-A194 HydrophobicContact CB-CB 4.48Å; V161-A194 HydrophobicContact CG1-CB 3.67Å; L162-A194 HydrophobicContact CB-CB 4.12Å; L162-A194 HydrophobicContact CD1-CB 4.41Å; N190-A194 WeakPolarHBondContact O-CB 3.48Å; N190-A194 PolarHBondContact O-N 3.33Å; S191-A194 PolarHBondContact O-N 3.27Å; S192-A194 PolarHBondContact O-N 3.46Å; A194-K197 WeakPolarHBondContact O-CB 3.43Å; A194-K197 PolarHBondContact O-N 3.02Å; A194-H198 PolarHBondContact O-N 3.14Å; A194-H198 VanDerWaalsContact O-N 3.11Å
195L98.7Very high98.2Very high3 Ų321.9 Ų21.92%0.01612%0.124CC..Hα-helixtrans-66.6-44.8177.2-17558.1000112.1M8 L165 W169 I185 S191 S192 R193 K197 H198 L199M8-L195 HydrophobicContact CE-CD2 3.87Å; M8-L195 HydrophobicContact CE-CG 4.23Å; L165-L195 HydrophobicContact CD2-CB 4.08Å; L165-L195 HydrophobicContact CD2-CD1 3.91Å; L165-L195 HydrophobicContact CD2-CG 4.41Å; W169-L195 HydrophobicContact CB-CD1 4.23Å; W169-L195 HydrophobicContact CD2-CD1 3.75Å; W169-L195 HydrophobicContact CE3-CD1 3.82Å; W169-L195 HydrophobicContact CE3-CD2 3.91Å; W169-L195 HydrophobicContact CE3-CG 4.47Å; W169-L195 HydrophobicContact CG-CD1 3.9Å; W169-L195 HydrophobicContact CZ3-CD1 4.49Å; W169-L195 HydrophobicContact CZ3-CD2 4.2Å; I185-L195 HydrophobicContact CD1-CD2 3.75Å; S191-L195 PolarHBondContact O-N 2.84Å; S191-L195 VanDerWaalsContact O-N 3.1Å; S192-L195 PolarHBondContact O-N 3.36Å; R193-L195 VanDerWaalsContact C-N 3.33Å; L195-K197 VanDerWaalsContact C-N 3.33Å; L195-K197 PolarHBondContact O-N 2.92Å; L195-H198 WeakPolarHBondContact O-CB 3.33Å; L195-H198 PolarHBondContact O-N 3.37Å; L195-H198 VanDerWaalsContact O-N 3.16Å; L195-L199 HydrophobicContact CD1-CD1 3.85Å; L195-L199 HydrophobicContact CD1-CD2 4.48Å; L195-L199 HydrophobicContact CD1-CG 3.98Å; L195-L199 HydrophobicContact CD2-CD1 4.4Å; L195-L199 HydrophobicContact CG-CD1 3.78Å; L195-L199 HydrophobicContact CG-CG 4.28Å; L195-L199 WeakPolarHBondContact O-CG 3.2Å; L195-L199 PolarHBondContact O-N 2.89Å
196L98.4Very high98.1Very high0 Ų026.2 Ų26.20%015%0.148CC..Hα-helixtrans-58.7-44.4174.3-70.9176000111.6M8 S192 R193 H198 L199 E200 L212 I218 L220 H232M8-L196 HydrophobicContact CE-CD2 3.94Å; M8-L196 HydrophobicContact SD-CD1 4.33Å; M8-L196 HydrophobicContact SD-CD2 3.51Å; M8-L196 VanDerWaalsContact SD-CD2 3.51Å; M8-L196 HydrophobicContact SD-CG 3.7Å; S192-L196 WeakPolarHBondContact O-CG 3.33Å; S192-L196 PolarHBondContact O-N 3.45Å; R193-L196 PolarHBondContact O-N 2.76Å; L196-H198 PolarHBondContact O-N 3.36Å; L196-L199 PolarHBondContact O-N 3.16Å; L196-E200 WeakPolarHBondContact O-CB 3.4Å; L196-E200 PolarHBondContact O-N 2.92Å; L196-L212 HydrophobicContact CD1-CD1 4.09Å; L196-L212 HydrophobicContact CD1-CD2 3.93Å; L196-I218 HydrophobicContact CD1-CD1 4.46Å; L196-L220 HydrophobicContact CD2-CD1 4.41Å; L196-L220 HydrophobicContact CD2-CD2 4.18Å; L196-H232 HydrophobicContact CD2-CB 4.01Å
197K98.4Very high98Very high20 Ų2026.2 Ų26.29%0.08715%0.148CC..Hα-helixtrans-52-48.7174.9-171-164.6-172.5-59.50110.9Y119 R193 A194 L195 G201 I202 D204 I207Y119-K197 HydrophobicContact CD2-CD 3.74Å; Y119-K197 HydrophobicContact CE2-CD 3.61Å; R193-K197 WeakPolarHBondContact O-CB 3.28Å; R193-K197 PolarHBondContact O-N 3.21Å; A194-K197 WeakPolarHBondContact O-CB 3.43Å; A194-K197 PolarHBondContact O-N 3.02Å; L195-K197 VanDerWaalsContact C-N 3.33Å; L195-K197 PolarHBondContact O-N 2.92Å; K197-G201 WeakPolarHBondContact O-CA 3.28Å; K197-G201 PolarHBondContact O-N 3.37Å; K197-G201 VanDerWaalsContact O-N 3.08Å; K197-I202 HydrophobicContact CG-CB 4.12Å; K197-I202 VanDerWaalsContact CG-O 3.22Å; K197-I202 WeakPolarHBondContact CG-O 3.44Å; K197-I202 PolarHBondContact NZ-O 3.41Å; K197-I202 PolarHBondContact O-N 3.24Å; K197-D204 WeakPolarHBondContact CE-OD1 3.45Å; K197-D204 IonicContact NZ-OD1 3.34Å; K197-D204 PolarHBondContact NZ-OD1 3.41Å; K197-I207 HydrophobicContact CB-CD1 3.71Å; K197-I207 HydrophobicContact CB-CG1 3.93Å; K197-I207 HydrophobicContact CD-CB 4.24Å; K197-I207 HydrophobicContact CD-CG1 4.14Å; K197-I207 HydrophobicContact CD-CG2 4.22Å; K197-I207 HydrophobicContact CG-CB 4.15Å; K197-I207 HydrophobicContact CG-CD1 4.15Å; K197-I207 HydrophobicContact CG-CG1 3.99Å
198H98.3Very high97.8Very high56 Ų5627.8 Ų27.826%0.25916%0.156SC..Hα-helixtrans-62.7-55.7178.7177.571.8000111.2L162 A194 L195 L196 G201 R227L162-H198 HydrophobicContact CD1-CB 3.95Å; L162-H198 HydrophobicContact CD2-CB 4.34Å; A194-H198 PolarHBondContact O-N 3.14Å; A194-H198 VanDerWaalsContact O-N 3.11Å; L195-H198 WeakPolarHBondContact O-CB 3.33Å; L195-H198 PolarHBondContact O-N 3.37Å; L195-H198 VanDerWaalsContact O-N 3.16Å; L196-H198 PolarHBondContact O-N 3.36Å; H198-G201 PolarHBondContact O-N 2.99Å; H198-R227 PolarHBondContact O-NH1 3.25Å; H198-R227 PolarHBondContact O-NH2 2.94Å
199L98.3Very high97.6Very high1 Ų131.8 Ų31.81%0.00518%0.177CC..Hα-helixtrans-69.5-37.2-170.6-62.6176.1000113.7L6 M8 W169 L195 L196 L220 L222 L226 R227 A228L6-L199 HydrophobicContact CD2-CD1 4.32Å; M8-L199 HydrophobicContact CE-CD1 4.39Å; W169-L199 HydrophobicContact CH2-CD1 3.92Å; W169-L199 HydrophobicContact CH2-CD2 4.24Å; W169-L199 HydrophobicContact CZ2-CD1 4.03Å; W169-L199 HydrophobicContact CZ2-CD2 3.5Å; W169-L199 HydrophobicContact CZ2-CG 4.41Å; W169-L199 HydrophobicContact CZ3-CD1 4.34Å; L195-L199 HydrophobicContact CD1-CD1 3.85Å; L195-L199 HydrophobicContact CD1-CD2 4.48Å; L195-L199 HydrophobicContact CD1-CG 3.98Å; L195-L199 HydrophobicContact CD2-CD1 4.4Å; L195-L199 HydrophobicContact CG-CD1 3.78Å; L195-L199 HydrophobicContact CG-CG 4.28Å; L195-L199 WeakPolarHBondContact O-CG 3.2Å; L195-L199 PolarHBondContact O-N 2.89Å; L196-L199 PolarHBondContact O-N 3.16Å; L199-L220 HydrophobicContact CB-CD2 3.84Å; L199-L220 HydrophobicContact CD1-CD2 3.44Å; L199-L220 VanDerWaalsContact CD1-CD2 3.44Å; L199-L220 HydrophobicContact CG-CD2 4.28Å; L199-L222 HydrophobicContact CB-CD2 4.42Å; L199-L222 HydrophobicContact CD1-CD2 4.48Å; L199-L226 WeakPolarHBondContact CD2-O 3.26Å; L199-R227 PolarHBondContact O-NH2 2.69Å; L199-A228 PolarHBondContact O-N 3.25Å
200E98Very high97.6Very high46 Ų4633.3 Ų33.322%0.21518%0.183CC..Hα-helixtrans-85.8-12177.5-71.5177.4-13600113.2L196 I202 L220 A228 H232L196-E200 WeakPolarHBondContact O-CB 3.4Å; L196-E200 PolarHBondContact O-N 2.92Å; E200-I202 HydrophobicContact CB-CD1 4.02Å; E200-I202 HydrophobicContact CB-CG1 3.77Å; E200-L220 HydrophobicContact CG-CD1 4.03Å; E200-A228 HydrophobicContact CB-CB 4.25Å; E200-A228 HydrophobicContact CG-CB 3.55Å; E200-H232 VanDerWaalsContact OE1-CB 3.22Å; E200-H232 WeakPolarHBondContact OE1-CB 3.39Å; E200-H232 IonicContact OE1-CE1 3.12Å; E200-H232 IonicContact OE1-CG 3.31Å; E200-H232 PolarHBondContact OE1-N 2.87Å; E200-H232 VanDerWaalsContact OE1-N 3.09Å; E200-H232 IonicContact OE1-ND1 2.78Å; E200-H232 PolarHBondContact OE1-ND1 2.82Å; E200-H232 IonicContact OE2-ND1 2.94Å; E200-H232 PolarHBondContact OE2-ND1 3.16Å
201G97.5Very high97.4Very high51 Ų5133.8 Ų33.853%0.52619%0.186SC..THydrogen-bonded Turntrans70.934.2-177.700000112.7K197 H198K197-G201 WeakPolarHBondContact O-CA 3.28Å; K197-G201 PolarHBondContact O-N 3.37Å; K197-G201 VanDerWaalsContact O-N 3.08Å; H198-G201 PolarHBondContact O-N 2.99Å
202I98Very high97.3Very high26 Ų2633.8 Ų33.813%0.13319%0.186CC..  trans-70.5134.6179-54.1168.2000108.8K197 E200 D206 I207 I210K197-I202 HydrophobicContact CG-CB 4.12Å; K197-I202 VanDerWaalsContact CG-O 3.22Å; K197-I202 WeakPolarHBondContact CG-O 3.44Å; K197-I202 PolarHBondContact NZ-O 3.41Å; K197-I202 PolarHBondContact O-N 3.24Å; E200-I202 HydrophobicContact CB-CD1 4.02Å; E200-I202 HydrophobicContact CB-CG1 3.77Å; I202-D206 HydrophobicContact CG2-CB 3.75Å; I202-I207 HydrophobicContact CD1-CD1 4.11Å; I202-I207 HydrophobicContact CG2-CB 4.01Å; I202-I207 HydrophobicContact CG2-CD1 4.25Å; I202-I210 HydrophobicContact CD1-CG1 4.18Å
203S98Very high97.2Very high38 Ų3833.9 Ų33.927%0.26619%0.187SC..  trans-63.2164.9178.470.60000112.3E205 D206 I207S203-E205 PolarHBondContact O-N 3.16Å; S203-D206 VanDerWaalsContact OG-CB 3.22Å; S203-D206 WeakPolarHBondContact OG-CB 3.39Å; S203-D206 PolarHBondContact OG-N 2.93Å; S203-D206 PolarHBondContact OG-OD2 3.42Å; S203-I207 PolarHBondContact O-N 3.35Å
204D97.8Very high97.1Very high62 Ų6234.5 Ų34.533%0.33219%0.191SC..THydrogen-bonded Turntrans-66.7-28.7175.9-69.94.8000111.1Y119 K197 I207Y119-D204 HydrophobicContact CD1-CB 3.83Å; Y119-D204 WeakPolarHBondContact CD1-OD1 3.42Å; Y119-D204 WeakPolarHBondContact CD1-OD2 3.33Å; Y119-D204 VanDerWaalsContact CE1-CG 3.47Å; Y119-D204 WeakPolarHBondContact CE1-OD1 3.15Å; Y119-D204 VanDerWaalsContact CE1-OD2 3.28Å; Y119-D204 WeakPolarHBondContact CE1-OD2 3.43Å; Y119-D204 HydrophobicContact CG-CB 4.26Å; K197-D204 WeakPolarHBondContact CE-OD1 3.45Å; K197-D204 IonicContact NZ-OD1 3.34Å; K197-D204 PolarHBondContact NZ-OD1 3.41Å; D204-I207 WeakPolarHBondContact O-CG2 3.34Å
205E95.5Very high97Very high140 Ų14035 Ų3565%0.65420%0.196SC*.THydrogen-bonded Turntrans-76.1-45.6177.9-63.875.7-167.700111.9S203 I208S203-E205 PolarHBondContact O-N 3.16Å; E205-I208 WeakPolarHBondContact O-CG2 3.35Å
206D96.6Very high97Very high94 Ų9435.6 Ų35.650%0.50320%0.2SC..G310 helixtrans-78.7-28.1-172.4-66.6-45000112.9I202 S203 I208 N209I202-D206 HydrophobicContact CG2-CB 3.75Å; S203-D206 VanDerWaalsContact OG-CB 3.22Å; S203-D206 WeakPolarHBondContact OG-CB 3.39Å; S203-D206 PolarHBondContact OG-N 2.93Å; S203-D206 PolarHBondContact OG-OD2 3.42Å; D206-I208 PolarHBondContact O-N 3.17Å; D206-N209 WeakPolarHBondContact O-CB 3.49Å; D206-N209 PolarHBondContact O-N 2.97Å
207I97.4Very high97Very high0 Ų035.6 Ų35.60%020%0.2CC..G310 helixtrans-60.7-22.9-178-166.758000112.2L158 R193 K197 I202 S203 D204 N209 I210L158-I207 HydrophobicContact CD2-CG1 3.72Å; L158-I207 HydrophobicContact CD2-CG2 4.16Å; R193-I207 HydrophobicContact CB-CD1 4.47Å; R193-I207 PolarHBondContact NH2-O 3.4Å; K197-I207 HydrophobicContact CB-CD1 3.71Å; K197-I207 HydrophobicContact CB-CG1 3.93Å; K197-I207 HydrophobicContact CD-CB 4.24Å; K197-I207 HydrophobicContact CD-CG1 4.14Å; K197-I207 HydrophobicContact CD-CG2 4.22Å; K197-I207 HydrophobicContact CG-CB 4.15Å; K197-I207 HydrophobicContact CG-CD1 4.15Å; K197-I207 HydrophobicContact CG-CG1 3.99Å; I202-I207 HydrophobicContact CD1-CD1 4.11Å; I202-I207 HydrophobicContact CG2-CB 4.01Å; I202-I207 HydrophobicContact CG2-CD1 4.25Å; S203-I207 PolarHBondContact O-N 3.35Å; D204-I207 WeakPolarHBondContact O-CG2 3.34Å; I207-N209 PolarHBondContact O-N 2.88Å; I207-I210 HydrophobicContact CD1-CB 4.04Å; I207-I210 HydrophobicContact CD1-CG1 3.88Å; I207-I210 PolarHBondContact O-N 3.48Å
208I95.1Very high97Very high32 Ų3234.8 Ų34.816%0.16420%0.196CC..G310 helixtrans-60.8-25.2176.6-155.4175.6000112.6R113 L114 R117 E205 D206R113-I208 HydrophobicContact CG-CD1 4.49Å; L114-I208 HydrophobicContact CD2-CD1 4.21Å; R117-I208 HydrophobicContact CB-CB 4.38Å; R117-I208 HydrophobicContact CB-CG1 3.44Å; R117-I208 VanDerWaalsContact CB-CG1 3.44Å; R117-I208 WeakPolarHBondContact CB-O 3.45Å; E205-I208 WeakPolarHBondContact O-CG2 3.35Å; D206-I208 PolarHBondContact O-N 3.17Å
209N94.9Very high97Very high85 Ų8532.8 Ų32.846%0.45519%0.188SC..G310 helixtrans-91.6-8.3-177.3-60.2-42.5000112.9R113 D206 I207 T211R113-N209 PolarHBondContact NH2-OD1 3.44Å; D206-N209 WeakPolarHBondContact O-CB 3.49Å; D206-N209 PolarHBondContact O-N 2.97Å; I207-N209 PolarHBondContact O-N 2.88Å; N209-T211 PolarHBondContact O-N 2.98Å
210I95.9Very high96.9Very high39 Ų3932.8 Ų32.820%0.219%0.188CC..  trans-83.2115.5177.5-53.9-58.7000109.8R193 I202 I207 L212R193-I210 WeakPolarHBondContact CD-O 3.45Å; R193-I210 HydrophobicContact CG-CG2 4.32Å; R193-I210 PolarHBondContact NE-O 3.09Å; I202-I210 HydrophobicContact CD1-CG1 4.18Å; I207-I210 HydrophobicContact CD1-CB 4.04Å; I207-I210 HydrophobicContact CD1-CG1 3.88Å; I207-I210 PolarHBondContact O-N 3.48Å; I210-L212 HydrophobicContact CG2-CD2 4.01Å
211T94.4Very high96.9Very high11 Ų1133.5 Ų33.57%0.06719%0.191CC..  trans-118.5128.2174.1-71.30000110.1R117 N209 I245 V248 E249R117-T211 PolarHBondContact NE-OG1 2.75Å; N209-T211 PolarHBondContact O-N 2.98Å; T211-I245 HydrophobicContact CG2-CG2 4.13Å; T211-V248 HydrophobicContact CG2-CB 3.75Å; T211-V248 HydrophobicContact CG2-CG1 3.54Å; T211-E249 HydrophobicContact CG2-CG 4.06Å
212L96.4Very high96.9Very high2 Ų231.1 Ų31.11%0.0117%0.166CC..  trans-104.7122.8178.4-51.9-178.7000110.2R10 R193 L196 I210 I218 F234R10-L212 WeakPolarHBondContact CD-O 3.44Å; R10-L212 PolarHBondContact NH1-O 3.31Å; R193-L212 HydrophobicContact CG-CD1 3.84Å; R193-L212 HydrophobicContact CG-CG 3.92Å; L196-L212 HydrophobicContact CD1-CD1 4.09Å; L196-L212 HydrophobicContact CD1-CD2 3.93Å; I210-L212 HydrophobicContact CG2-CD2 4.01Å; L212-I218 HydrophobicContact CD1-CD1 3.94Å; L212-I218 HydrophobicContact CD2-CD1 3.84Å; L212-I218 HydrophobicContact CG-CD1 4.32Å; L212-F234 HydrophobicContact CD2-CE1 4.03Å; L212-F234 HydrophobicContact CD2-CZ 3.89Å
213P96.6Very high96.9Very high3 Ų331.6 Ų31.62%0.01917%0.169CC..  trans-70161.9173.531.5-32.5000110.7R10 V216 F234 A244 I245R10-P213 WeakPolarHBondContact CB-O 3.39Å; P213-V216 HydrophobicContact CB-CG2 4.1Å; P213-V216 HydrophobicContact CG-CB 3.89Å; P213-V216 HydrophobicContact CG-CG2 3.59Å; P213-F234 HydrophobicContact CG-CE1 4.33Å; P213-A244 HydrophobicContact CB-CB 3.67Å; P213-I245 HydrophobicContact CB-CG1 4.37Å; P213-I245 HydrophobicContact CG-CG1 4Å
214T96.8Very high96.8Very high15 Ų1534.1 Ų34.19%0.09218%0.176CC..SBendtrans-73.9144.4170.745.40000109.8R10 H11 E37 V216R10-T214 HydrophobicContact CG-CG2 4.25Å; R10-T214 VanDerWaalsContact CZ-CG2 3.42Å; H11-T214 WeakPolarHBondContact O-CB 3.33Å; H11-T214 WeakPolarHBondContact O-CG2 3.48Å; E37-T214 PolarHBondContact OE1-OG1 2.85Å; E37-T214 VanDerWaalsContact OE2-CB 3.25Å; E37-T214 WeakPolarHBondContact OE2-CB 3.43Å; E37-T214 PolarHBondContact OE2-OG1 3.4Å; E37-T214 VanDerWaalsContact OE2-OG1 3.09Å; T214-V216 PolarHBondContact O-N 3.43Å
215G97Very high96.7Very high11 Ų1136.9 Ų36.911%0.11319%0.191CC..SBendtrans63.436.9167.200000115.5R10 C41R10-G215 PolarHBondContact O-N 2.96Å; C41-G215 PolarHBondContact SG-O 2.92Å
216V97.9Very high96.8Very high16 Ų1631.1 Ų31.110%0.09717%0.165CC..  trans-127.2120.5173-179.60000108.3P213 T214 F234 I241P213-V216 HydrophobicContact CB-CG2 4.1Å; P213-V216 HydrophobicContact CG-CB 3.89Å; P213-V216 HydrophobicContact CG-CG2 3.59Å; T214-V216 PolarHBondContact O-N 3.43Å; V216-F234 HydrophobicContact CB-CD1 4.47Å; V216-F234 HydrophobicContact CG1-CB 3.82Å; V216-F234 HydrophobicContact CG1-CD1 3.78Å; V216-F234 HydrophobicContact CG1-CG 4.2Å; V216-I241 HydrophobicContact CG1-CD1 3.91Å; V216-I241 HydrophobicContact CG1-CG1 3.84Å; V216-I241 HydrophobicContact CG2-CG1 4.19Å
217P98.2Very high96.8Very high0 Ų030.5 Ų30.50%016%0.156CC..  trans-65136175.6-18.331.8000111I7 C41 L45 L235I7-P217 HydrophobicContact CG2-CB 4.16Å; C41-P217 HydrophobicContact CB-CG 3.91Å; L45-P217 HydrophobicContact CD1-CG 4.44Å; L45-P217 HydrophobicContact CD2-CB 4.18Å; L45-P217 HydrophobicContact CD2-CG 4.46Å; L45-P217 HydrophobicContact CG-CG 4.29Å; P217-L235 HydrophobicContact CB-CB 4.18Å; P217-L235 HydrophobicContact CB-CD1 4.16Å; P217-L235 HydrophobicContact CB-CG 4.43Å; P217-L235 PolarHBondContact O-N 3.12Å
218I98.4Very high96.8Very high2 Ų231.6 Ų31.61%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-110.3116177.4-55.3170.6000107I7 M8 L196 L212 H232 Q233 F234I7-I218 WeakPolarHBondContact CA-O 3.3Å; M8-I218 HydrophobicContact CG-CB 3.8Å; M8-I218 HydrophobicContact CG-CD1 4.28Å; M8-I218 HydrophobicContact CG-CG2 4.11Å; M8-I218 PolarHBondContact N-O 2.88Å; M8-I218 WeakPolarHBondContact O-CA 3.31Å; M8-I218 WeakPolarHBondContact O-CB 3.34Å; M8-I218 PolarHBondContact O-N 3.41Å; L196-I218 HydrophobicContact CD1-CD1 4.46Å; L212-I218 HydrophobicContact CD1-CD1 3.94Å; L212-I218 HydrophobicContact CD2-CD1 3.84Å; L212-I218 HydrophobicContact CG-CD1 4.32Å; I218-H232 HydrophobicContact CG2-CB 3.52Å; I218-Q233 CarbonylContact C-O 3.43Å; I218-Q233 WeakPolarHBondContact CA-O 3.29Å; I218-F234 HydrophobicContact CD1-CE1 4.01Å; I218-F234 HydrophobicContact CG1-CD1 3.82Å; I218-F234 HydrophobicContact CG1-CE1 3.76Å
219L97.5Very high96.9Very high15 Ų1533.5 Ų33.58%0.07918%0.178CC..EExtended strand (participates in β ladder)trans-86.7126.6171.2175.163.4000109.4K5 I7 F50 E221 H232 Q233 L235K5-L219 HydrophobicContact CB-CD1 4.17Å; K5-L219 HydrophobicContact CD-CD1 4.3Å; K5-L219 HydrophobicContact CG-CD1 4.29Å; I7-L219 HydrophobicContact CD1-CB 4.1Å; I7-L219 HydrophobicContact CD1-CD1 3.87Å; F50-L219 HydrophobicContact CZ-CD1 4.39Å; L219-E221 HydrophobicContact CG-CG 4.48Å; L219-H232 WeakPolarHBondContact O-CA 3.41Å; L219-Q233 HydrophobicContact CB-CB 4.47Å; L219-Q233 PolarHBondContact N-O 3.28Å; L219-Q233 PolarHBondContact O-N 2.9Å; L219-L235 HydrophobicContact CB-CD1 4.25Å; L219-L235 HydrophobicContact CB-CD2 4.03Å; L219-L235 HydrophobicContact CB-CG 4.15Å; L219-L235 HydrophobicContact CD2-CD2 4.33Å
220L97.8Very high96.9Very high1 Ų131 Ų311%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-123.7128.1169.5-16968.3000109.4L6 M8 L196 L199 E200 L222 A228 H232L6-L220 PolarHBondContact N-O 3.39Å; L6-L220 PolarHBondContact O-N 3.47Å; M8-L220 HydrophobicContact CE-CD2 4.17Å; L196-L220 HydrophobicContact CD2-CD1 4.41Å; L196-L220 HydrophobicContact CD2-CD2 4.18Å; L199-L220 HydrophobicContact CB-CD2 3.84Å; L199-L220 HydrophobicContact CD1-CD2 3.44Å; L199-L220 VanDerWaalsContact CD1-CD2 3.44Å; L199-L220 HydrophobicContact CG-CD2 4.28Å; E200-L220 HydrophobicContact CG-CD1 4.03Å; L220-L222 HydrophobicContact CD2-CD2 3.74Å; L220-L222 HydrophobicContact CG-CD2 3.89Å; L220-A228 HydrophobicContact CD1-CB 3.82Å; L220-A228 HydrophobicContact CG-CB 4.48Å; L220-H232 HydrophobicContact CD1-CB 4.16Å
221E97.2Very high96.9Very high61 Ų6134 Ų3429%0.28519%0.194SC..EExtended strand (participates in β ladder)trans-103.4129.3175.4-63.6-160.6145.500110.3S2 Y4 K5 L219 A228 V229S2-E221 WeakPolarHBondContact CB-OE2 3.49Å; S2-E221 PolarHBondContact OG-OE2 2.62Å; Y4-E221 WeakPolarHBondContact O-CA 3.46Å; K5-E221 WeakPolarHBondContact CE-OE1 3.5Å; K5-E221 HydrophobicContact CG-CG 4.42Å; K5-E221 IonicContact NZ-OE1 3.24Å; L219-E221 HydrophobicContact CG-CG 4.48Å; E221-A228 WeakPolarHBondContact O-CA 3.43Å; E221-V229 PolarHBondContact O-N 2.92Å
222L98.2Very high97.1Very high0 Ų034.9 Ų34.90%020%0.197CC..EExtended strand (participates in β ladder)trans-117.1148.3-173.9-56.7177.4000112.3K3 Y4 W169 V177 L199 L220 L226 R227 A228K3-L222 PolarHBondContact N-O 3.2Å; Y4-L222 HydrophobicContact CD2-CB 4.37Å; Y4-L222 PolarHBondContact N-O 3.21Å; Y4-L222 PolarHBondContact O-N 3.16Å; W169-L222 HydrophobicContact CH2-CD1 4.01Å; W169-L222 HydrophobicContact CZ2-CD1 4.23Å; V177-L222 HydrophobicContact CG1-CD1 4.2Å; L199-L222 HydrophobicContact CB-CD2 4.42Å; L199-L222 HydrophobicContact CD1-CD2 4.48Å; L220-L222 HydrophobicContact CD2-CD2 3.74Å; L220-L222 HydrophobicContact CG-CD2 3.89Å; L222-L226 HydrophobicContact CD1-CD2 4.2Å; L222-R227 CarbonylContact C-O 3.49Å; L222-R227 VanDerWaalsContact CA-O 3.29Å; L222-R227 WeakPolarHBondContact CA-O 3.4Å; L222-A228 HydrophobicContact CD2-CB 4.4Å
223D97.2Very high97.1Very high37 Ų3740.4 Ų40.420%0.19822%0.223CC..  trans-85-178.9170.272.97.5000112.5Y4 N225 L226 R227 V229Y4-D223 WeakPolarHBondContact CD2-O 3.49Å; Y4-D223 WeakPolarHBondContact CE2-O 3.49Å; D223-N225 PolarHBondContact O-N 3.33Å; D223-N225 VanDerWaalsContact OD1-C 3.3Å; D223-N225 VanDerWaalsContact OD1-CA 3.31Å; D223-N225 WeakPolarHBondContact OD1-CA 3.31Å; D223-N225 WeakPolarHBondContact OD1-CB 3.47Å; D223-N225 PolarHBondContact OD1-N 3.16Å; D223-L226 PolarHBondContact O-N 3.33Å; D223-L226 PolarHBondContact OD1-N 3.18Å; D223-L226 VanDerWaalsContact OD1-N 3.11Å; D223-R227 PolarHBondContact N-O 3.11Å; D223-R227 PolarHBondContact OD1-N 2.88Å; D223-V229 HydrophobicContact CB-CG2 4.02Å
224E95.5Very high97.1Very high90 Ų9041.4 Ų41.442%0.42123%0.227SC..THydrogen-bonded Turntrans-58.1-20.9174.849-100.1-101.400115.4K3 L226K3-E224 HydrophobicContact CD-CB 4.12Å; K3-E224 WeakPolarHBondContact CE-OE2 3.41Å; K3-E224 IonicContact NZ-OE1 2.86Å; K3-E224 PolarHBondContact NZ-OE1 2.66Å; K3-E224 IonicContact NZ-OE2 3.39Å; K3-E224 PolarHBondContact NZ-OE2 3.14Å; E224-L226 VanDerWaalsContact C-N 3.32Å
225N96.2Very high97.1Very high121 Ų12142 Ų4265%0.64723%0.229SC*.THydrogen-bonded Turntrans-96.910.7178.2-57-57.2000111.6D223 R227D223-N225 PolarHBondContact O-N 3.33Å; D223-N225 VanDerWaalsContact OD1-C 3.3Å; D223-N225 VanDerWaalsContact OD1-CA 3.31Å; D223-N225 WeakPolarHBondContact OD1-CA 3.31Å; D223-N225 WeakPolarHBondContact OD1-CB 3.47Å; D223-N225 PolarHBondContact OD1-N 3.16Å; N225-R227 HydrophobicContact CB-CG 4.09Å; N225-R227 PolarHBondContact O-N 2.84Å
226L96.9Very high96.8Very high18 Ų1843.1 Ų43.19%0.09424%0.241CC..SBendtrans5534.1-175.1-57.5179.4000113.1Y4 W169 A174 V177 L178 L199 L222 D223 E224Y4-L226 HydrophobicContact CD2-CD2 4.1Å; Y4-L226 HydrophobicContact CE2-CD2 4.31Å; W169-L226 HydrophobicContact CZ2-CD1 4.39Å; A174-L226 HydrophobicContact CB-CD1 3.39Å; V177-L226 HydrophobicContact CB-CD2 4.14Å; V177-L226 HydrophobicContact CG1-CD2 3.59Å; L178-L226 HydrophobicContact CD1-CD1 4.13Å; L178-L226 HydrophobicContact CD2-CD1 4.32Å; L178-L226 HydrophobicContact CD2-CD2 3.84Å; L178-L226 HydrophobicContact CD2-CG 3.94Å; L178-L226 HydrophobicContact CG-CD1 3.96Å; L178-L226 HydrophobicContact CG-CD2 4.06Å; L178-L226 HydrophobicContact CG-CG 4.13Å; L199-L226 WeakPolarHBondContact CD2-O 3.26Å; L222-L226 HydrophobicContact CD1-CD2 4.2Å; D223-L226 PolarHBondContact O-N 3.33Å; D223-L226 PolarHBondContact OD1-N 3.18Å; D223-L226 VanDerWaalsContact OD1-N 3.11Å; E224-L226 VanDerWaalsContact C-N 3.32Å
227R96.9Very high96.5Very high82 Ų8247.1 Ų47.131%0.30926%0.262SS..  trans-98.7145.7170.3-54.6-55.1-59.8161.53.8109.4H198 L199 L222 D223 N225 V229H198-R227 PolarHBondContact O-NH1 3.25Å; H198-R227 PolarHBondContact O-NH2 2.94Å; L199-R227 PolarHBondContact O-NH2 2.69Å; L222-R227 CarbonylContact C-O 3.49Å; L222-R227 VanDerWaalsContact CA-O 3.29Å; L222-R227 WeakPolarHBondContact CA-O 3.4Å; D223-R227 PolarHBondContact N-O 3.11Å; D223-R227 PolarHBondContact OD1-N 2.88Å; N225-R227 HydrophobicContact CB-CG 4.09Å; N225-R227 PolarHBondContact O-N 2.84Å; R227-V229 PolarHBondContact O-N 3.34Å
228A97.6Very high96.3Very high23 Ų2352 Ų5219%0.1929%0.285CS..BIsolated β-bridgetrans-63.2130.2176.800000110.7L199 E200 L220 E221 L222 G230L199-A228 PolarHBondContact O-N 3.25Å; E200-A228 HydrophobicContact CB-CB 4.25Å; E200-A228 HydrophobicContact CG-CB 3.55Å; L220-A228 HydrophobicContact CD1-CB 3.82Å; L220-A228 HydrophobicContact CG-CB 4.48Å; E221-A228 WeakPolarHBondContact O-CA 3.43Å; L222-A228 HydrophobicContact CD2-CB 4.4Å; A228-G230 WeakPolarHBondContact CB-O 3.34Å; A228-G230 PolarHBondContact O-N 3.06Å
229V96.8Very high96.1Very high72 Ų7259.8 Ų59.844%0.43632%0.321SS..SBendtrans-73.3-21.1174.7179.90000111.2E221 D223 R227E221-V229 PolarHBondContact O-N 2.92Å; D223-V229 HydrophobicContact CB-CG2 4.02Å; R227-V229 PolarHBondContact O-N 3.34Å
230G95.6Very high95.8Very high32 Ų3261.9 Ų61.933%0.3334%0.341SS..SBendtrans-166.9-177.3173.400000111A228A228-G230 WeakPolarHBondContact CB-O 3.34Å; A228-G230 PolarHBondContact O-N 3.06Å
231P96Very high95.7Very high103 Ų10362.1 Ų62.167%0.66934%0.342SS*.  trans-59.6149.6177.8-21.833.2000112
232H97.6Very high95.6Very high28 Ų2864.4 Ų64.413%0.1335%0.353CS..  trans-56149.8170.562.5-81.7000112.6L196 E200 I218 L219 L220 F234L196-H232 HydrophobicContact CD2-CB 4.01Å; E200-H232 VanDerWaalsContact OE1-CB 3.22Å; E200-H232 WeakPolarHBondContact OE1-CB 3.39Å; E200-H232 IonicContact OE1-CE1 3.12Å; E200-H232 IonicContact OE1-CG 3.31Å; E200-H232 PolarHBondContact OE1-N 2.87Å; E200-H232 VanDerWaalsContact OE1-N 3.09Å; E200-H232 IonicContact OE1-ND1 2.78Å; E200-H232 PolarHBondContact OE1-ND1 2.82Å; E200-H232 IonicContact OE2-ND1 2.94Å; E200-H232 PolarHBondContact OE2-ND1 3.16Å; I218-H232 HydrophobicContact CG2-CB 3.52Å; L219-H232 WeakPolarHBondContact O-CA 3.41Å; L220-H232 HydrophobicContact CD1-CB 4.16Å; H232-F234 AromaticContact CD2-CZ 3.89Å; H232-F234 AromaticContact NE2-CE2 3.9Å; H232-F234 AromaticContact NE2-CZ 3.72Å
233Q97.1Very high95.4Very high118 Ų11867.5 Ų67.555%0.55138%0.378SS*.EExtended strand (participates in β ladder)trans-119.8132.7178.5-63.4178.9-14.800110.3I218 L219I218-Q233 CarbonylContact C-O 3.43Å; I218-Q233 WeakPolarHBondContact CA-O 3.29Å; L219-Q233 HydrophobicContact CB-CB 4.47Å; L219-Q233 PolarHBondContact N-O 3.28Å; L219-Q233 PolarHBondContact O-N 2.9Å
234F97.4Very high95.2Very high25 Ų2567.1 Ų67.111%0.1138%0.38CS..EExtended strand (participates in β ladder)trans-83.3127.7171.2-63.4-70.7000110.2L212 P213 V216 I218 H232 Q238 I241 I245L212-F234 HydrophobicContact CD2-CE1 4.03Å; L212-F234 HydrophobicContact CD2-CZ 3.89Å; P213-F234 HydrophobicContact CG-CE1 4.33Å; V216-F234 HydrophobicContact CB-CD1 4.47Å; V216-F234 HydrophobicContact CG1-CB 3.82Å; V216-F234 HydrophobicContact CG1-CD1 3.78Å; V216-F234 HydrophobicContact CG1-CG 4.2Å; I218-F234 HydrophobicContact CD1-CE1 4.01Å; I218-F234 HydrophobicContact CG1-CD1 3.82Å; I218-F234 HydrophobicContact CG1-CE1 3.76Å; H232-F234 AromaticContact CD2-CZ 3.89Å; H232-F234 AromaticContact NE2-CE2 3.9Å; H232-F234 AromaticContact NE2-CZ 3.72Å; F234-Q238 PolarHBondContact O-NE2 2.97Å; F234-I241 HydrophobicContact CB-CD1 3.75Å; F234-I241 HydrophobicContact CB-CG1 4.44Å; F234-I241 HydrophobicContact CB-CG2 3.76Å; F234-I241 HydrophobicContact CD1-CG2 4.44Å; F234-I241 HydrophobicContact CD2-CG2 3.88Å; F234-I241 HydrophobicContact CG-CG2 3.78Å; F234-I245 HydrophobicContact CD2-CD1 4.31Å; F234-I245 HydrophobicContact CE2-CD1 3.78Å; F234-I245 HydrophobicContact CZ-CD1 4.18Å
235L95.2Very high95.1Very high26 Ų2663.7 Ų63.714%0.13636%0.364CS..  trans-88.9126.1178.3-57.1-178000110.6I7 L45 L48 P217 L219I7-L235 HydrophobicContact CD1-CD1 3.94Å; L45-L235 HydrophobicContact CD2-CD1 4.17Å; L48-L235 HydrophobicContact CD1-CD1 3.82Å; L48-L235 HydrophobicContact CD1-CD2 4.49Å; P217-L235 HydrophobicContact CB-CB 4.18Å; P217-L235 HydrophobicContact CB-CD1 4.16Å; P217-L235 HydrophobicContact CB-CG 4.43Å; P217-L235 PolarHBondContact O-N 3.12Å; L219-L235 HydrophobicContact CB-CD1 4.25Å; L219-L235 HydrophobicContact CB-CD2 4.03Å; L219-L235 HydrophobicContact CB-CG 4.15Å; L219-L235 HydrophobicContact CD2-CD2 4.33Å
236G91.5Very high95Very high36 Ų3663.4 Ų63.437%0.37136%0.357SS..SBendtrans132.6-165.1178.600000113.4Q238G236-Q238 PolarHBondContact O-N 3.03Å; G236-Q238 PolarHBondContact O-NE2 2.85Å
237D91.2Very high94.8Very high100 Ų10068 Ų6854%0.53538%0.377SS..  trans-66.2114.1176-177-67.8000110.4E239 A240 I241D237-E239 VanDerWaalsContact C-N 3.32Å; D237-E239 PolarHBondContact O-N 3.29Å; D237-E239 PolarHBondContact OD1-N 3.24Å; D237-A240 HydrophobicContact CB-CB 4.04Å; D237-A240 PolarHBondContact O-N 3.36Å; D237-A240 PolarHBondContact OD1-N 2.79Å; D237-I241 WeakPolarHBondContact O-CB 3.38Å; D237-I241 VanDerWaalsContact O-CD1 3.29Å; D237-I241 WeakPolarHBondContact O-CD1 3.4Å; D237-I241 WeakPolarHBondContact O-CG1 3.43Å; D237-I241 PolarHBondContact O-N 2.87Å
238Q93.9Very high94.5Very high102 Ų10264.4 Ų64.448%0.47736%0.364SS..Hα-helixtrans-67.5-31.8-171.9-61.5-59-60.400112.5F234 G236 I241 Q242F234-Q238 PolarHBondContact O-NE2 2.97Å; G236-Q238 PolarHBondContact O-N 3.03Å; G236-Q238 PolarHBondContact O-NE2 2.85Å; Q238-I241 PolarHBondContact O-N 3.2Å; Q238-Q242 VanDerWaalsContact O-CG 3.31Å; Q238-Q242 WeakPolarHBondContact O-CG 3.43Å; Q238-Q242 PolarHBondContact O-N 3.27Å
239E94Very high94.1Very high165 Ų16566.8 Ų66.877%0.77137%0.371SS*.Hα-helixtrans-69.5-45178-65.5-174.9175.600110.8D237 I241 Q242 A243D237-E239 VanDerWaalsContact C-N 3.32Å; D237-E239 PolarHBondContact O-N 3.29Å; D237-E239 PolarHBondContact OD1-N 3.24Å; E239-I241 VanDerWaalsContact C-N 3.31Å; E239-I241 PolarHBondContact O-N 3Å; E239-Q242 PolarHBondContact O-N 3.34Å; E239-A243 PolarHBondContact O-N 2.84Å
240A92.6Very high93.8Very high59 Ų5965.9 Ų65.949%0.48836%0.364SS..Hα-helixtrans-61.8-39.5175.200000111.8D237 A243 A244D237-A240 HydrophobicContact CB-CB 4.04Å; D237-A240 PolarHBondContact O-N 3.36Å; D237-A240 PolarHBondContact OD1-N 2.79Å; A240-A243 PolarHBondContact O-N 3.31Å; A240-A244 WeakPolarHBondContact O-CB 3.45Å; A240-A244 PolarHBondContact O-N 2.95Å
241I94.6Very high93.4Very high7 Ų765.5 Ų65.54%0.03635%0.354CS..Hα-helixtrans-63.1-46.7176.3-70.5160.2000110.9V216 F234 D237 Q238 E239 A243 A244 I245V216-I241 HydrophobicContact CG1-CD1 3.91Å; V216-I241 HydrophobicContact CG1-CG1 3.84Å; V216-I241 HydrophobicContact CG2-CG1 4.19Å; F234-I241 HydrophobicContact CB-CD1 3.75Å; F234-I241 HydrophobicContact CB-CG1 4.44Å; F234-I241 HydrophobicContact CB-CG2 3.76Å; F234-I241 HydrophobicContact CD1-CG2 4.44Å; F234-I241 HydrophobicContact CD2-CG2 3.88Å; F234-I241 HydrophobicContact CG-CG2 3.78Å; D237-I241 WeakPolarHBondContact O-CB 3.38Å; D237-I241 VanDerWaalsContact O-CD1 3.29Å; D237-I241 WeakPolarHBondContact O-CD1 3.4Å; D237-I241 WeakPolarHBondContact O-CG1 3.43Å; D237-I241 PolarHBondContact O-N 2.87Å; Q238-I241 PolarHBondContact O-N 3.2Å; E239-I241 VanDerWaalsContact C-N 3.31Å; E239-I241 PolarHBondContact O-N 3Å; I241-A243 VanDerWaalsContact C-N 3.33Å; I241-A243 PolarHBondContact O-N 3.45Å; I241-A244 PolarHBondContact O-N 3.48Å; I241-I245 HydrophobicContact CG2-CD1 3.96Å; I241-I245 WeakPolarHBondContact O-CG1 3.5Å; I241-I245 PolarHBondContact O-N 3.37Å
242Q95Very high92.6Very high109 Ų10960.9 Ų60.951%0.50933%0.325SS..Hα-helixtrans-63.2-39177.4-69.5-57.4-34.900112Q238 E239 A244 I245 K246Q238-Q242 VanDerWaalsContact O-CG 3.31Å; Q238-Q242 WeakPolarHBondContact O-CG 3.43Å; Q238-Q242 PolarHBondContact O-N 3.27Å; E239-Q242 PolarHBondContact O-N 3.34Å; Q242-A244 VanDerWaalsContact C-N 3.34Å; Q242-A244 PolarHBondContact O-N 3.38Å; Q242-I245 PolarHBondContact O-N 3.09Å; Q242-K246 WeakPolarHBondContact O-CB 3.34Å; Q242-K246 PolarHBondContact O-N 3.11Å
243A94.2Very high92Very high64 Ų6463.9 Ų63.953%0.52934%0.337SS..Hα-helixtrans-62.8-40.4173.400000112.2E239 A240 I241 K246 K247E239-A243 PolarHBondContact O-N 2.84Å; A240-A243 PolarHBondContact O-N 3.31Å; I241-A243 VanDerWaalsContact C-N 3.33Å; I241-A243 PolarHBondContact O-N 3.45Å; A243-K246 PolarHBondContact O-N 3.21Å; A243-K247 PolarHBondContact O-N 3.15Å
244A93.3Very high91.3Very high30 Ų3060.4 Ų60.425%0.24832%0.324CS..Hα-helixtrans-67.5-40.3176.800000112.4P213 A240 I241 Q242 K247 V248P213-A244 HydrophobicContact CB-CB 3.67Å; A240-A244 WeakPolarHBondContact O-CB 3.45Å; A240-A244 PolarHBondContact O-N 2.95Å; I241-A244 PolarHBondContact O-N 3.48Å; Q242-A244 VanDerWaalsContact C-N 3.34Å; Q242-A244 PolarHBondContact O-N 3.38Å; A244-K247 PolarHBondContact O-N 2.88Å; A244-V248 WeakPolarHBondContact O-CG2 3.48Å; A244-V248 PolarHBondContact O-N 3.36Å; A244-V248 VanDerWaalsContact O-N 3.14Å
245I94.3Very high90.5Very high17 Ų1766.9 Ų66.99%0.08735%0.352CS..Hα-helixtrans-58-51.7172.3-72.4167.3000109.6T211 P213 F234 I241 Q242 K247 V248 E249T211-I245 HydrophobicContact CG2-CG2 4.13Å; P213-I245 HydrophobicContact CB-CG1 4.37Å; P213-I245 HydrophobicContact CG-CG1 4Å; F234-I245 HydrophobicContact CD2-CD1 4.31Å; F234-I245 HydrophobicContact CE2-CD1 3.78Å; F234-I245 HydrophobicContact CZ-CD1 4.18Å; I241-I245 HydrophobicContact CG2-CD1 3.96Å; I241-I245 WeakPolarHBondContact O-CG1 3.5Å; I241-I245 PolarHBondContact O-N 3.37Å; Q242-I245 PolarHBondContact O-N 3.09Å; I245-K247 VanDerWaalsContact C-N 3.33Å; I245-K247 PolarHBondContact O-N 3.06Å; I245-V248 WeakPolarHBondContact O-CB 3.46Å; I245-V248 PolarHBondContact O-N 2.8Å; I245-E249 PolarHBondContact O-N 3.04Å
246K93.7Very high89.4Confident115 Ų11574.5 Ų74.550%0.539%0.387SS..Hα-helixtrans-58.6-42.1178.9-172.2179.8-177.3-61.70112.4Q242 A243 V248 E249 D250Q242-K246 WeakPolarHBondContact O-CB 3.34Å; Q242-K246 PolarHBondContact O-N 3.11Å; A243-K246 PolarHBondContact O-N 3.21Å; K246-V248 VanDerWaalsContact C-N 3.27Å; K246-V248 PolarHBondContact O-N 3.43Å; K246-E249 PolarHBondContact O-N 3.25Å; K246-E249 VanDerWaalsContact O-N 3.16Å; K246-D250 IonicContact NZ-OD1 3.43Å; K246-D250 IonicContact NZ-OD2 3.97Å; K246-D250 PolarHBondContact NZ-OD2 3.47Å; K246-D250 WeakPolarHBondContact O-CB 3.33Å; K246-D250 VanDerWaalsContact O-CG 3.29Å; K246-D250 PolarHBondContact O-N 3.34Å
247K92.5Very high87.7Confident114 Ų11477 Ų7750%0.49640%0.404SS..Hα-helixtrans-56.2-41.6174.4180-175168.5-165.10111.3E13 A243 A244 I245 Q251E13-K247 IonicContact OE2-NZ 3.9Å; E13-K247 PolarHBondContact OE2-NZ 2.94Å; A243-K247 PolarHBondContact O-N 3.15Å; A244-K247 PolarHBondContact O-N 2.88Å; I245-K247 VanDerWaalsContact C-N 3.33Å; I245-K247 PolarHBondContact O-N 3.06Å; K247-Q251 PolarHBondContact O-N 2.69Å
248V90.4Very high85.7Confident7 Ų782.2 Ų82.24%0.04242%0.422CS..Hα-helixtrans-71.2-36.8178.2175.70000111.8R116 T211 A244 I245 K246 Q251R116-V248 PolarHBondContact NH2-O 2.77Å; T211-V248 HydrophobicContact CG2-CB 3.75Å; T211-V248 HydrophobicContact CG2-CG1 3.54Å; A244-V248 WeakPolarHBondContact O-CG2 3.48Å; A244-V248 PolarHBondContact O-N 3.36Å; A244-V248 VanDerWaalsContact O-N 3.14Å; I245-V248 WeakPolarHBondContact O-CB 3.46Å; I245-V248 PolarHBondContact O-N 2.8Å; K246-V248 VanDerWaalsContact C-N 3.27Å; K246-V248 PolarHBondContact O-N 3.43Å; V248-Q251 WeakPolarHBondContact O-CB 3.49Å
249E90.1Very high82.8Confident73 Ų7390.5 Ų90.534%0.34146%0.456SS..Hα-helixtrans-64.1-47.2175.9-67.9-178.7159.900111.5R116 T211 I245 K246 Q251 G252R116-E249 PolarHBondContact NH1-O 3.03Å; T211-E249 HydrophobicContact CG2-CG 4.06Å; I245-E249 PolarHBondContact O-N 3.04Å; K246-E249 PolarHBondContact O-N 3.25Å; K246-E249 VanDerWaalsContact O-N 3.16Å; E249-Q251 PolarHBondContact O-N 2.98Å; E249-Q251 VanDerWaalsContact O-N 3.15Å; E249-G252 PolarHBondContact O-N 2.91Å
250D90.5Very high82.2Confident54 Ų5486.8 Ų86.829%0.28944%0.441SS..Hα-helixtrans-65.4-17.6-176.7-69.3-18000113.4K246 G252 K253K246-D250 IonicContact NZ-OD1 3.43Å; K246-D250 IonicContact NZ-OD2 3.97Å; K246-D250 PolarHBondContact NZ-OD2 3.47Å; K246-D250 WeakPolarHBondContact O-CB 3.33Å; K246-D250 VanDerWaalsContact O-CG 3.29Å; K246-D250 PolarHBondContact O-N 3.34Å; D250-G252 PolarHBondContact O-N 2.88Å; D250-G252 VanDerWaalsContact O-N 3.11Å; D250-K253 PolarHBondContact O-N 2.94Å; D250-K253 WeakPolarHBondContact OD1-CD 3.3Å; D250-K253 IonicContact OD1-NZ 2.72Å; D250-K253 PolarHBondContact OD1-NZ 3.15Å
251Q85.7Confident81.7Confident24 Ų2488.2 Ų88.211%0.11244%0.438CS..THydrogen-bonded Turntrans-56.8-24.2172.2-79.9178.7-12.500114.5N17 N20 R100 K247 V248 E249N17-Q251 PolarHBondContact O-NE2 3.3Å; N20-Q251 PolarHBondContact ND2-O 3.42Å; N20-Q251 VanDerWaalsContact OD1-CB 3.26Å; N20-Q251 WeakPolarHBondContact OD1-CB 3.11Å; N20-Q251 WeakPolarHBondContact OD1-CG 3.26Å; N20-Q251 PolarHBondContact OD1-O 3.17Å; R100-Q251 VanDerWaalsContact CB-O 3.31Å; R100-Q251 WeakPolarHBondContact CB-O 3.35Å; K247-Q251 PolarHBondContact O-N 2.69Å; V248-Q251 WeakPolarHBondContact O-CB 3.49Å; E249-Q251 PolarHBondContact O-N 2.98Å; E249-Q251 VanDerWaalsContact O-N 3.15Å
252G80.1Confident80.9Confident6 Ų692.7 Ų92.76%0.06246%0.46CS..THydrogen-bonded Turntrans-99.33.917900000114.2E249 D250E249-G252 PolarHBondContact O-N 2.91Å; D250-G252 PolarHBondContact O-N 2.88Å; D250-G252 VanDerWaalsContact O-N 3.11Å
253K85Confident80.1Confident90 Ų9091.8 Ų91.839%0.39146%0.458SS..SBendtrans-102148.2-179.2-61.3-179-171.8158.40110E109 D250E109-K253 WeakPolarHBondContact OE1-CA 3.41Å; D250-K253 PolarHBondContact O-N 2.94Å; D250-K253 WeakPolarHBondContact OD1-CD 3.3Å; D250-K253 IonicContact OD1-NZ 2.72Å; D250-K253 PolarHBondContact OD1-NZ 3.15Å
254V82.3Confident79.2Confident45 Ų4593.5 Ų93.527%0.27345%0.453SS..PPolyproline II helixtrans-73.8127.9170.8179.40000107.5A104 L105 E109 Q256A104-V254 HydrophobicContact CB-CG2 3.97Å; L105-V254 HydrophobicContact CD2-CB 4.39Å; L105-V254 HydrophobicContact CD2-CG1 3.61Å; L105-V254 HydrophobicContact CD2-CG2 3.82Å; L105-V254 HydrophobicContact CG-CG1 4.43Å; L105-V254 HydrophobicContact CG-CG2 4.13Å; E109-V254 HydrophobicContact CG-CG2 4.33Å; E109-V254 PolarHBondContact OE1-N 2.8Å; V254-Q256 PolarHBondContact O-N 3.04Å
255K80.7Confident78.3Confident161 Ų16197.7 Ų97.770%0.747%0.467SS*.PPolyproline II helixtrans-59.8117.7173.2-74.8172-173.71640108.8E101 A257E101-K255 WeakPolarHBondContact OE1-CB 3.32Å; E101-K255 VanDerWaalsContact OE1-CG 3.3Å; E101-K255 WeakPolarHBondContact OE1-CG 3.43Å; E101-K255 PolarHBondContact OE1-N 2.84Å; E101-K255 VanDerWaalsContact OE1-N 3.15Å; E101-K255 IonicContact OE2-NZ 3.89Å; K255-A257 PolarHBondContact O-N 2.9Å; K255-A257 VanDerWaalsContact O-N 3.16Å
256Q71.1Confident77.2Confident186 Ų186103.5 Ų103.587%0.86949%0.494SS*.PPolyproline II helixtrans-61.3123.1169.3-64.9-144.8-4.300107.9V254 K258V254-Q256 PolarHBondContact O-N 3.04Å; Q256-K258 PolarHBondContact O-N 3.16Å; Q256-K258 VanDerWaalsContact O-N 3.1Å
257A56.2Low75.9Confident88 Ų88102.6 Ų102.673%0.72749%0.493SS*.PPolyproline II helixtrans-52.9122.5174.600000107.8K255 K259K255-A257 PolarHBondContact O-N 2.9Å; K255-A257 VanDerWaalsContact O-N 3.16Å; A257-K259 PolarHBondContact O-N 3.1Å
258K48.6Very low74.5Confident210 Ų210101.7 Ų101.791%0.91349%0.493SS*.  trans-60105.6169.2-76.3-174.5175.7-176.60106.3Q256Q256-K258 PolarHBondContact O-N 3.16Å; Q256-K258 VanDerWaalsContact O-N 3.1Å
259K33.4Very low73.1Confident276 Ų276110.3 Ų110.3100%1.253%0.534SS*.  trans-650167.5-78.3-174.7176-179.80109.8A257A257-K259 PolarHBondContact O-N 3.1Å

Retrieved 259 of 259 residues in 300 ms (Link to these results)

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