A0A087YEG6_POEFO Loading...

Glutamine synthetase

AlphaFold DB , UniProt , Accession A0A087YEG6, Species POEFO (Poecilia formosa, Amazon molly), Gene GLUL, Length 373 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
1M67.9Low93.1Very high133 Ų13377.2 Ų77.266%0.65545%0.446SS*.  0137.30-69.9-161-98.400109.5T3 F147 G148M1-T3 PolarHBondContact O-N 3.37Å; M1-F147 HydrophobicContact CE-CD1 4.4Å; M1-F147 HydrophobicContact CE-CD2 4.16Å; M1-F147 HydrophobicContact CE-CE1 3.87Å; M1-F147 HydrophobicContact CE-CE2 3.6Å; M1-F147 HydrophobicContact CE-CZ 3.44Å; M1-F147 VanDerWaalsContact CE-CZ 3.44Å; M1-F147 HydrophobicContact SD-CD1 4.23Å; M1-F147 HydrophobicContact SD-CD2 3.44Å; M1-F147 WeakPolarHBondContact SD-CD2 3.32Å; M1-F147 HydrophobicContact SD-CE1 4.25Å; M1-F147 HydrophobicContact SD-CE2 3.47Å; M1-F147 WeakPolarHBondContact SD-CE2 3.31Å; M1-F147 HydrophobicContact SD-CG 3.85Å; M1-F147 HydrophobicContact SD-CZ 3.89Å; M1-G148 WeakPolarHBondContact SD-CA 2.91Å; M1-G148 PolarHBondContact SD-N 2.97Å
2A85.5Confident93.5Very high31 Ų3175.9 Ų75.926%0.25645%0.452SS..  trans-76.2101.8175.300000109.7G141 T142 D143A2-G141 CarbonylContact O-C 3.5Å; A2-G141 WeakPolarHBondContact O-CA 3.42Å; A2-T142 PolarHBondContact O-N 3.02Å; A2-T142 PolarHBondContact O-OG1 2.69Å; A2-D143 HydrophobicContact CB-CB 3.73Å; A2-D143 VanDerWaalsContact CB-CG 3.43Å; A2-D143 VanDerWaalsContact CB-OD2 3.29Å; A2-D143 WeakPolarHBondContact CB-OD2 3.4Å
3T91.6Very high93.9Very high45 Ų4575.5 Ų75.528%0.27645%0.45SS..  trans-102.6155.316763.20000109.7M1 G233M1-T3 PolarHBondContact O-N 3.37Å; T3-G233 CarbonylContact C-O 3.58Å; T3-G233 VanDerWaalsContact CA-O 3.32Å; T3-G233 WeakPolarHBondContact CA-O 3.32Å
4S96.9Very high94.2Very high27 Ų2776.3 Ų76.319%0.18944%0.444CS..  trans-55.5154.6179.180.30000112.9S6 S7 G233S4-S6 VanDerWaalsContact C-N 3.29Å; S4-S6 PolarHBondContact O-N 2.74Å; S4-S6 PolarHBondContact OG-N 3.3Å; S4-S7 PolarHBondContact O-N 3.12Å; S4-S7 PolarHBondContact O-OG 3.09Å; S4-S7 PolarHBondContact OG-N 3.12Å; S4-S7 PolarHBondContact OG-OG 3.12Å; S4-G233 PolarHBondContact N-O 3.37Å; S4-G233 WeakPolarHBondContact OG-CA 3.36Å
5A97.4Very high94.4Very high82 Ų8276.9 Ų76.968%0.67844%0.441SS*.SBendtrans-62.6-38.7171.600000111.7S7 K8A5-S7 VanDerWaalsContact C-N 3.29Å; A5-S7 PolarHBondContact O-N 3.42Å; A5-K8 WeakPolarHBondContact O-CB 3.15Å; A5-K8 PolarHBondContact O-N 3.29Å
6S97.8Very high94.7Very high70 Ų7079.9 Ų79.949%0.4945%0.451SS..G310 helixtrans-66.1-25.5-177.8-56.70000114S4 K8 L9 K11S4-S6 VanDerWaalsContact C-N 3.29Å; S4-S6 PolarHBondContact O-N 2.74Å; S4-S6 PolarHBondContact OG-N 3.3Å; S6-K8 PolarHBondContact O-N 3.43Å; S6-L9 WeakPolarHBondContact O-CB 3.47Å; S6-L9 PolarHBondContact O-N 3.34Å; S6-K11 PolarHBondContact O-NZ 3.3Å
7S97Very high94.9Very high25 Ų2584.8 Ų84.818%0.17546%0.462CS..G310 helixtrans-72.9-15.5173.862.50000113.4S4 A5 F232S4-S7 PolarHBondContact O-N 3.12Å; S4-S7 PolarHBondContact O-OG 3.09Å; S4-S7 PolarHBondContact OG-N 3.12Å; S4-S7 PolarHBondContact OG-OG 3.12Å; A5-S7 VanDerWaalsContact C-N 3.29Å; A5-S7 PolarHBondContact O-N 3.42Å; S7-F232 WeakPolarHBondContact CB-O 3.39Å
8K97.6Very high95.1Very high162 Ų16284.8 Ų84.870%0.70446%0.459SS*.G310 helixtrans-85.7-11.4174.3-55178.1-176175.70113.3A5 S6A5-K8 WeakPolarHBondContact O-CB 3.15Å; A5-K8 PolarHBondContact O-N 3.29Å; S6-K8 PolarHBondContact O-N 3.43Å
9L98Very high95.3Very high119 Ų11987.2 Ų87.262%0.62347%0.467SS*.SBendtrans-63.1146.7171.5-64.2175.2000109.8S6 K11S6-L9 WeakPolarHBondContact O-CB 3.47Å; S6-L9 PolarHBondContact O-N 3.34Å; L9-K11 PolarHBondContact O-N 2.8Å
10S97.8Very high95.5Very high71 Ų7188.4 Ų88.450%0.49747%0.473SS..  trans-63.2107.7-179.4-179.10000111.2A12 V13 K14S10-A12 PolarHBondContact O-N 2.69Å; S10-V13 PolarHBondContact O-N 3.43Å; S10-V13 PolarHBondContact OG-N 3.44Å; S10-K14 PolarHBondContact O-N 3.45Å
11K97.1Very high95.6Very high84 Ų8490.2 Ų90.237%0.36549%0.489SS..Hα-helixtrans-68.3-26.2176.7-55.3-56-172171.40112S6 L9 V13 K14 Q15 D231S6-K11 PolarHBondContact O-NZ 3.3Å; L9-K11 PolarHBondContact O-N 2.8Å; K11-V13 VanDerWaalsContact C-N 3.33Å; K11-K14 PolarHBondContact O-N 2.99Å; K11-Q15 WeakPolarHBondContact O-CB 3.39Å; K11-Q15 PolarHBondContact O-N 3.49Å; K11-D231 VanDerWaalsContact CE-O 3.28Å; K11-D231 WeakPolarHBondContact CE-O 3.5Å; K11-D231 PolarHBondContact NZ-O 2.97Å
12A97.9Very high97.1Very high62 Ų6287.7 Ų87.751%0.51248%0.476SS..Hα-helixtrans-63.8-38.4172.600000111.9S10 Q15 Q16S10-A12 PolarHBondContact O-N 2.69Å; A12-Q15 PolarHBondContact O-N 3.07Å; A12-Q16 WeakPolarHBondContact O-CG 3.16Å; A12-Q16 PolarHBondContact O-N 3.4Å
13V98.3Very high97.7Very high70 Ų7088.9 Ų88.942%0.42449%0.492SS..Hα-helixtrans-64.5-46.8175.6174.70000110.3S10 K11 Q15 Q16 Y17S10-V13 PolarHBondContact O-N 3.43Å; S10-V13 PolarHBondContact OG-N 3.44Å; K11-V13 VanDerWaalsContact C-N 3.33Å; V13-Q15 VanDerWaalsContact C-N 3.29Å; V13-Q15 PolarHBondContact O-N 3.45Å; V13-Q16 PolarHBondContact O-N 2.93Å; V13-Y17 HydrophobicContact CG1-CD2 4.36Å; V13-Y17 HydrophobicContact CG1-CE2 3.88Å; V13-Y17 WeakPolarHBondContact O-CD2 3.47Å
14K98.1Very high98Very high87 Ų8795 Ų9538%0.37852%0.517SS..Hα-helixtrans-54.5-47173.3-178.4-172.3177.9-168.80110.7S10 K11 Q16 Y17 M18 D231S10-K14 PolarHBondContact O-N 3.45Å; K11-K14 PolarHBondContact O-N 2.99Å; K14-Q16 PolarHBondContact O-N 3.16Å; K14-Y17 PolarHBondContact O-N 2.98Å; K14-M18 HydrophobicContact CG-CG 4.15Å; K14-M18 WeakPolarHBondContact O-CG 3.45Å; K14-M18 PolarHBondContact O-N 2.92Å; K14-D231 IonicContact NZ-OD1 2.75Å; K14-D231 PolarHBondContact NZ-OD1 3.46Å; K14-D231 IonicContact NZ-OD2 3.8Å; K14-D231 PolarHBondContact NZ-OD2 2.82Å; K14-D231 VanDerWaalsContact NZ-OD2 3.11Å
15Q98Very high98Very high85 Ų8598.6 Ų98.640%0.39753%0.529SS..Hα-helixtrans-59.8-41.7-177.5-174.26024.800112.9K11 A12 V13 Y17 M18 E19K11-Q15 WeakPolarHBondContact O-CB 3.39Å; K11-Q15 PolarHBondContact O-N 3.49Å; A12-Q15 PolarHBondContact O-N 3.07Å; V13-Q15 VanDerWaalsContact C-N 3.29Å; V13-Q15 PolarHBondContact O-N 3.45Å; Q15-Y17 VanDerWaalsContact C-N 3.26Å; Q15-Y17 PolarHBondContact O-N 3.31Å; Q15-M18 PolarHBondContact O-N 2.84Å; Q15-M18 VanDerWaalsContact O-N 3.09Å; Q15-E19 HydrophobicContact CG-CG 4.46Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.23Å; Q15-E19 PolarHBondContact NE2-OE1 3.08Å; Q15-E19 WeakPolarHBondContact O-CG 3.4Å; Q15-E19 PolarHBondContact O-N 3.15Å
16Q98.4Very high98.1Very high126 Ų12694.8 Ų94.859%0.58950%0.497SS*.Hα-helixtrans-56-39.4176.6-72.3172.3-2.500112.6A12 V13 K14A12-Q16 WeakPolarHBondContact O-CG 3.16Å; A12-Q16 PolarHBondContact O-N 3.4Å; V13-Q16 PolarHBondContact O-N 2.93Å; K14-Q16 PolarHBondContact O-N 3.16Å
17Y98.7Very high98.2Very high163 Ų16394.6 Ų94.664%0.63949%0.489SS*.Hα-helixtrans-76.3-35.4176.4-67.7-78.3000112.7V13 K14 Q15 E19 L20V13-Y17 HydrophobicContact CG1-CD2 4.36Å; V13-Y17 HydrophobicContact CG1-CE2 3.88Å; V13-Y17 WeakPolarHBondContact O-CD2 3.47Å; K14-Y17 PolarHBondContact O-N 2.98Å; Q15-Y17 VanDerWaalsContact C-N 3.26Å; Q15-Y17 PolarHBondContact O-N 3.31Å; Y17-E19 PolarHBondContact O-N 3.14Å; Y17-L20 HydrophobicContact CD1-CD1 4.15Å; Y17-L20 WeakPolarHBondContact O-CB 3.45Å; Y17-L20 WeakPolarHBondContact O-CG 3.32Å; Y17-L20 PolarHBondContact O-N 3.45Å
18M98.4Very high98.3Very high85 Ų8593.4 Ų93.442%0.41948%0.48SS..Hα-helixtrans-70.1-15.7178.5-66.8-57.6-58.800113.5K14 Q15 F89 R90K14-M18 HydrophobicContact CG-CG 4.15Å; K14-M18 WeakPolarHBondContact O-CG 3.45Å; K14-M18 PolarHBondContact O-N 2.92Å; Q15-M18 PolarHBondContact O-N 2.84Å; Q15-M18 VanDerWaalsContact O-N 3.09Å; M18-F89 WeakPolarHBondContact CE-O 3.42Å; M18-R90 HydrophobicContact CE-CB 4.47Å; M18-R90 HydrophobicContact CE-CG 4.12Å
19E98.2Very high98.3Very high130 Ų13086.1 Ų86.161%0.60745%0.449SS*.THydrogen-bonded Turntrans-89-8175.8-73.7172.2-179.800113.5Q15 Y17Q15-E19 HydrophobicContact CG-CG 4.46Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.23Å; Q15-E19 PolarHBondContact NE2-OE1 3.08Å; Q15-E19 WeakPolarHBondContact O-CG 3.4Å; Q15-E19 PolarHBondContact O-N 3.15Å; Y17-E19 PolarHBondContact O-N 3.14Å
20L98.7Very high98.4Very high111 Ų11180.4 Ų80.458%0.58142%0.419SS*.SBendtrans-61.8135.6174.9-66.4174.4000110.1Y17 Q22Y17-L20 HydrophobicContact CD1-CD1 4.15Å; Y17-L20 WeakPolarHBondContact O-CB 3.45Å; Y17-L20 WeakPolarHBondContact O-CG 3.32Å; Y17-L20 PolarHBondContact O-N 3.45Å; L20-Q22 PolarHBondContact O-N 3.04Å
21P98.4Very high98.4Very high126 Ų12677 Ų7782%0.81840%0.396SS*.  trans-58.4115.8169.8-21.932.6000109.8G23P21-G23 PolarHBondContact O-N 3.31Å
22Q98.6Very high98.5Very high80 Ų8073.6 Ų73.637%0.37438%0.38SS..  trans-72.9-10.8-17473.3176.26800114.5L20 K25 N94L20-Q22 PolarHBondContact O-N 3.04Å; Q22-K25 PolarHBondContact NE2-O 3.12Å; Q22-N94 PolarHBondContact NE2-OD1 3.11Å; Q22-N94 PolarHBondContact OE1-ND2 2.84Å
23G98.3Very high98.6Very high57 Ų5771.2 Ų71.259%0.58836%0.359SS*.  trans77.1-150.6-174.100000112.8P21P21-G23 PolarHBondContact O-N 3.31Å
24E97.9Very high98.6Very high173 Ų17368.2 Ų68.281%0.80834%0.34SS*.SBendtrans-87.2-22.4-173.2-61.3-180166.400113.8
25K98.7Very high98.6Very high103 Ų10365.3 Ų65.345%0.44834%0.335SS..  trans-70.6149-179.4-60.9-57.3-177.7-170.40110.9Q22 T46 D48Q22-K25 PolarHBondContact NE2-O 3.12Å; K25-T46 HydrophobicContact CB-CG2 3.8Å; K25-T46 HydrophobicContact CD-CG2 4.36Å; K25-T46 HydrophobicContact CG-CG2 4.22Å; K25-D48 IonicContact NZ-OD1 2.93Å; K25-D48 PolarHBondContact NZ-OD1 2.95Å
26V98.8Very high98.6Very high1 Ų164.3 Ų64.31%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-123.4140.3-175.3-178.20000110.7T46 L47 E50 P93V26-T46 CarbonylContact O-C 3.56Å; V26-T46 WeakPolarHBondContact O-CA 3.44Å; V26-L47 HydrophobicContact CB-CB 4.38Å; V26-L47 PolarHBondContact N-O 3.02Å; V26-L47 PolarHBondContact O-N 3.09Å; V26-E50 HydrophobicContact CG2-CB 4.08Å; V26-P93 HydrophobicContact CG1-CB 4.33Å; V26-P93 HydrophobicContact CG1-CG 4.37Å; V26-P93 WeakPolarHBondContact CG1-O 3.5Å; V26-P93 HydrophobicContact CG2-CB 3.96Å; V26-P93 HydrophobicContact CG2-CG 3.69Å
27Q98.9Very high98.6Very high66 Ų6658.7 Ų58.731%0.30831%0.311SS..EExtended strand (participates in β ladder)trans-96.1125.7175.3-58.7-179.1-68.400109.9T44 K45 R90 N94 K95Q27-T44 HydrophobicContact CB-CG2 3.83Å; Q27-T44 HydrophobicContact CG-CG2 4.38Å; Q27-K45 WeakPolarHBondContact CA-O 3.06Å; Q27-R90 VanDerWaalsContact OE1-CD 3.31Å; Q27-N94 HydrophobicContact CB-CB 4.22Å; Q27-N94 WeakPolarHBondContact CB-OD1 3.38Å; Q27-N94 PolarHBondContact N-OD1 3.39Å; Q27-N94 CarbonylContact O-C 3.52Å; Q27-N94 VanDerWaalsContact O-CA 3.31Å; Q27-N94 WeakPolarHBondContact O-CA 3.44Å; Q27-N94 WeakPolarHBondContact O-CB 3.42Å; Q27-K95 PolarHBondContact O-N 2.88Å
28A98.9Very high98.6Very high0 Ų054.1 Ų54.10%030%0.296CS..EExtended strand (participates in β ladder)trans-113.8113.1172.300000109.4Y30 T44 K45 L47 L57 K95 V97A28-Y30 HydrophobicContact CB-CD2 4.35Å; A28-Y30 HydrophobicContact CB-CE2 3.87Å; A28-T44 CarbonylContact O-C 3.47Å; A28-T44 WeakPolarHBondContact O-CA 3.34Å; A28-K45 PolarHBondContact N-O 3.2Å; A28-K45 PolarHBondContact O-N 3.49Å; A28-L47 HydrophobicContact CB-CD1 3.75Å; A28-L47 HydrophobicContact CB-CG 4.09Å; A28-L57 HydrophobicContact CB-CD2 4.35Å; A28-K95 WeakPolarHBondContact CA-O 3.29Å; A28-V97 HydrophobicContact CB-CG2 4.25Å
29M98.9Very high98.6Very high9 Ų951.1 Ų51.14%0.04429%0.287CS..EExtended strand (participates in β ladder)trans-90.2108.9176-174.4179-62.600110I31 C42 K43 R90 K95 L96 V97 F223M29-I31 HydrophobicContact CG-CG1 4.4Å; M29-C42 HydrophobicContact CG-CB 3.93Å; M29-C42 HydrophobicContact SD-CB 4.13Å; M29-K43 CarbonylContact C-O 3.47Å; M29-K43 WeakPolarHBondContact CA-O 3.36Å; M29-R90 VanDerWaalsContact CE-NH1 3.3Å; M29-K95 PolarHBondContact N-O 3.44Å; M29-L96 HydrophobicContact CB-CD2 3.98Å; M29-L96 HydrophobicContact CG-CD2 4.45Å; M29-L96 HydrophobicContact SD-CD2 4.07Å; M29-V97 PolarHBondContact O-N 3.42Å; M29-F223 HydrophobicContact SD-CE1 3.75Å; M29-F223 HydrophobicContact SD-CZ 3.41Å; M29-F223 WeakPolarHBondContact SD-CZ 3.41Å
30Y98.9Very high98.6Very high0 Ų046.4 Ų46.40%027%0.265CS..EExtended strand (participates in β ladder)trans-82130.3176.7-74.9-122.9000108.7A28 C42 K43 K45 P58 W60 L79 P81 V97 C99A28-Y30 HydrophobicContact CB-CD2 4.35Å; A28-Y30 HydrophobicContact CB-CE2 3.87Å; Y30-C42 CarbonylContact O-C 3.58Å; Y30-C42 WeakPolarHBondContact O-CA 3.42Å; Y30-C42 VanDerWaalsContact O-CB 3.26Å; Y30-C42 WeakPolarHBondContact O-CB 3.3Å; Y30-K43 PolarHBondContact N-O 3.22Å; Y30-K43 PolarHBondContact O-N 3.48Å; Y30-K45 HydrophobicContact CE2-CB 4.31Å; Y30-P58 WeakPolarHBondContact CE1-O 3.32Å; Y30-P58 WeakPolarHBondContact OH-CD 3.47Å; Y30-P58 PolarHBondContact OH-O 3.26Å; Y30-W60 HydrophobicContact CD1-CB 4.28Å; Y30-W60 HydrophobicContact CD1-CE3 4.14Å; Y30-W60 AromaticContact CD2-CE3 3.74Å; Y30-W60 HydrophobicContact CD2-CE3 3.74Å; Y30-W60 AromaticContact CD2-CZ3 3.97Å; Y30-W60 HydrophobicContact CD2-CZ3 3.97Å; Y30-W60 HydrophobicContact CE1-CB 4.14Å; Y30-W60 HydrophobicContact CE1-CE3 4.44Å; Y30-W60 HydrophobicContact CE2-CE3 4.09Å; Y30-W60 HydrophobicContact CE2-CZ3 4.49Å; Y30-W60 AromaticContact CG-CE3 3.79Å; Y30-W60 HydrophobicContact CG-CE3 3.79Å; Y30-W60 HydrophobicContact CG-CZ3 4.3Å; Y30-L79 HydrophobicContact CD1-CB 4.29Å; Y30-L79 HydrophobicContact CD1-CD1 4.36Å; Y30-P81 HydrophobicContact CE1-CG 3.9Å; Y30-V97 CarbonylContact C-O 3.59Å; Y30-V97 VanDerWaalsContact CA-O 3.32Å; Y30-V97 WeakPolarHBondContact CA-O 3.48Å; Y30-V97 HydrophobicContact CD1-CG1 4.36Å; Y30-V97 HydrophobicContact CD2-CB 4.33Å; Y30-V97 HydrophobicContact CE1-CG1 4.31Å; Y30-V97 HydrophobicContact CE2-CG2 4.4Å; Y30-V97 HydrophobicContact CG-CB 4.37Å; Y30-C99 WeakPolarHBondContact CD1-SG 3.34Å
31I98.9Very high98.6Very high0 Ų044.7 Ų44.70%025%0.251CS..EExtended strand (participates in β ladder)trans-123.1136.3-175.8-56.6159.7000108.4M29 L40 R41 C42 L96 V97 F98 C99 F223M29-I31 HydrophobicContact CG-CG1 4.4Å; I31-L40 HydrophobicContact CG2-CD2 4.03Å; I31-R41 VanDerWaalsContact CA-O 3.31Å; I31-R41 WeakPolarHBondContact CA-O 3.36Å; I31-C42 HydrophobicContact CG1-CB 4.13Å; I31-L96 HydrophobicContact CD1-CB 3.88Å; I31-L96 HydrophobicContact CD1-CD1 4.31Å; I31-L96 HydrophobicContact CD1-CD2 4.28Å; I31-L96 HydrophobicContact CD1-CG 4.37Å; I31-V97 PolarHBondContact N-O 2.92Å; I31-F98 HydrophobicContact CB-CD2 4.14Å; I31-F98 HydrophobicContact CG2-CD2 3.89Å; I31-F98 HydrophobicContact CG2-CE2 4.32Å; I31-C99 PolarHBondContact O-N 3.46Å; I31-F223 HydrophobicContact CD1-CB 4.48Å; I31-F223 HydrophobicContact CD1-CD1 3.4Å; I31-F223 VanDerWaalsContact CD1-CD1 3.4Å; I31-F223 HydrophobicContact CD1-CD2 4.19Å; I31-F223 HydrophobicContact CD1-CE1 3.55Å; I31-F223 HydrophobicContact CD1-CE2 4.32Å; I31-F223 HydrophobicContact CD1-CG 3.75Å; I31-F223 HydrophobicContact CD1-CZ 4.03Å; I31-F223 HydrophobicContact CG1-CD1 4.15Å; I31-F223 HydrophobicContact CG1-CD2 4.14Å; I31-F223 HydrophobicContact CG1-CE1 4Å; I31-F223 HydrophobicContact CG1-CE2 4.01Å; I31-F223 HydrophobicContact CG1-CG 4.21Å; I31-F223 HydrophobicContact CG1-CZ 3.95Å; I31-F223 HydrophobicContact CG2-CB 4.37Å; I31-F223 HydrophobicContact CG2-CD2 3.71Å; I31-F223 HydrophobicContact CG2-CE2 4.21Å; I31-F223 HydrophobicContact CG2-CG 4.02Å
32W98.9Very high98.6Very high12 Ų1241.3 Ų41.35%0.04523%0.23CC..EExtended strand (participates in β ladder)trans-149.5163.4176.770.3101000112.3L40 R41 C42 K43 F62 T67 L79 V101W32-L40 WeakPolarHBondContact O-CA 3.37Å; W32-R41 HydrophobicContact CD2-CB 3.77Å; W32-R41 HydrophobicContact CE3-CB 4.16Å; W32-R41 HydrophobicContact CG-CB 4.4Å; W32-R41 HydrophobicContact CH2-CB 3.79Å; W32-R41 HydrophobicContact CZ2-CB 3.37Å; W32-R41 HydrophobicContact CZ2-CG 4.18Å; W32-R41 HydrophobicContact CZ3-CB 4.17Å; W32-R41 PolarHBondContact N-O 2.91Å; W32-R41 PolarHBondContact O-N 3.41Å; W32-C42 VanDerWaalsContact CZ3-CA 3.49Å; W32-K43 HydrophobicContact CH2-CD 4.48Å; W32-K43 HydrophobicContact CH2-CG 4.25Å; W32-K43 HydrophobicContact CZ3-CG 4.05Å; W32-F62 AromaticContact CD1-CZ 3.87Å; W32-F62 HydrophobicContact CZ2-CB 4.24Å; W32-F62 HydrophobicContact CZ2-CD1 4.4Å; W32-F62 AromaticContact CZ2-CD2 3.84Å; W32-F62 HydrophobicContact CZ2-CD2 3.84Å; W32-F62 HydrophobicContact CZ2-CE2 4.32Å; W32-F62 AromaticContact CZ2-CG 3.89Å; W32-F62 HydrophobicContact CZ2-CG 3.89Å; W32-F62 AromaticContact NE1-CD2 3.9Å; W32-F62 AromaticContact NE1-CE1 3.91Å; W32-F62 AromaticContact NE1-CE2 3.46Å; W32-F62 AromaticContact NE1-CZ 3.46Å; W32-T67 HydrophobicContact CZ2-CG2 4.49Å; W32-L79 HydrophobicContact CB-CD2 3.7Å; W32-L79 HydrophobicContact CD2-CD1 4.37Å; W32-L79 HydrophobicContact CD2-CD2 3.75Å; W32-L79 HydrophobicContact CE3-CD1 3.87Å; W32-L79 HydrophobicContact CE3-CD2 4Å; W32-L79 HydrophobicContact CG-CD2 3.64Å; W32-L79 HydrophobicContact CZ3-CD1 4.06Å; W32-V101 HydrophobicContact CB-CG2 3.78Å; W32-V101 HydrophobicContact CG-CG2 4.08Å
33I98.9Very high98.7Very high11 Ų1140.4 Ų40.46%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-86.5133.7175.3-53.9167.6000108.9G39 L40 Q69 F98 W219 Y349I33-G39 WeakPolarHBondContact CA-O 3.38Å; I33-L40 HydrophobicContact CG1-CD2 4.15Å; I33-Q69 PolarHBondContact O-NE2 3.26Å; I33-Q69 VanDerWaalsContact O-NE2 3.14Å; I33-F98 HydrophobicContact CD1-CZ 4.05Å; I33-F98 HydrophobicContact CG1-CE2 4.31Å; I33-F98 HydrophobicContact CG1-CZ 4Å; I33-W219 HydrophobicContact CD1-CD2 3.96Å; I33-W219 VanDerWaalsContact CD1-CE2 3.44Å; I33-W219 HydrophobicContact CD1-CG 4.34Å; I33-W219 HydrophobicContact CD1-CH2 4.34Å; I33-W219 HydrophobicContact CD1-CZ2 3.67Å; I33-W219 HydrophobicContact CG1-CD2 4.24Å; I33-W219 HydrophobicContact CG1-CE3 4.45Å; I33-W219 HydrophobicContact CG1-CH2 4.46Å; I33-W219 HydrophobicContact CG1-CZ2 4.25Å; I33-Y349 HydrophobicContact CD1-CE2 4.47Å
34D98.4Very high98.7Very high7 Ų740 Ų404%0.03721%0.211CC..  trans-82.8-174.1177.775.420.2000113.4T36 G37 G39 R41 T111D34-T36 PolarHBondContact O-N 3.2Å; D34-T36 VanDerWaalsContact OD1-CB 3.3Å; D34-T36 WeakPolarHBondContact OD1-CB 3.37Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.48Å; D34-T36 PolarHBondContact OD1-N 3.01Å; D34-T36 PolarHBondContact OD1-OG1 3.27Å; D34-G37 PolarHBondContact O-N 2.83Å; D34-G39 PolarHBondContact N-O 3.01Å; D34-R41 HydrophobicContact CB-CG 3.8Å; D34-R41 IonicContact OD2-CZ 3.3Å; D34-R41 VanDerWaalsContact OD2-CZ 3.3Å; D34-R41 IonicContact OD2-NE 2.69Å; D34-R41 PolarHBondContact OD2-NE 3.17Å; D34-R41 IonicContact OD2-NH2 2.84Å; D34-R41 PolarHBondContact OD2-NH2 2.92Å; D34-T111 WeakPolarHBondContact O-CB 3.45Å; D34-T111 WeakPolarHBondContact O-CG2 3.36Å; D34-T111 PolarHBondContact O-OG1 3.1Å
35G98.3Very high98.7Very high27 Ų2734.2 Ų34.228%0.27818%0.183SC..THydrogen-bonded Turntrans-70.7-8.9-176.400000114.9G37 T67 Q69G35-G37 VanDerWaalsContact C-N 3.33Å; G35-T67 PolarHBondContact N-O 3.48Å; G35-Q69 VanDerWaalsContact CA-CG 3.41Å; G35-Q69 VanDerWaalsContact N-CG 3.29Å
36T98.2Very high98.7Very high63 Ų6333.8 Ų33.839%0.38719%0.189SC..THydrogen-bonded Turntrans-77.5-22.4172.767.50000112.3D34 E38 G39 Y68D34-T36 PolarHBondContact O-N 3.2Å; D34-T36 VanDerWaalsContact OD1-CB 3.3Å; D34-T36 WeakPolarHBondContact OD1-CB 3.37Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.48Å; D34-T36 PolarHBondContact OD1-N 3.01Å; D34-T36 PolarHBondContact OD1-OG1 3.27Å; T36-E38 PolarHBondContact O-N 3.39Å; T36-E38 PolarHBondContact OG1-N 2.8Å; T36-E38 VanDerWaalsContact OG1-N 3.1Å; T36-G39 PolarHBondContact OG1-N 3.02Å; T36-Y68 HydrophobicContact CG2-CD2 4Å; T36-Y68 HydrophobicContact CG2-CE2 4.32Å
37G98.3Very high98.7Very high9 Ų934.7 Ų34.79%0.09319%0.194CC..SBendtrans76.4-1.8-169.700000113.9D34 G35 W219D34-G37 PolarHBondContact O-N 2.83Å; G35-G37 VanDerWaalsContact C-N 3.33Å; G37-W219 WeakPolarHBondContact O-CH2 3.17Å
38E98.6Very high98.7Very high67 Ų6737.4 Ų37.431%0.31321%0.211SC..SBendtrans-115.9-43.4-178.6-66.1-178-95.300111.5T36 P290 K291 N345T36-E38 PolarHBondContact O-N 3.39Å; T36-E38 PolarHBondContact OG1-N 2.8Å; T36-E38 VanDerWaalsContact OG1-N 3.1Å; E38-P290 HydrophobicContact CG-CB 4.16Å; E38-P290 HydrophobicContact CG-CG 3.7Å; E38-K291 IonicContact OE1-NZ 3.9Å; E38-N345 PolarHBondContact OE2-ND2 3.36Å
39G98.4Very high98.7Very high22 Ų2241.3 Ų41.323%0.22724%0.238CC..  trans-74.3136.8-175.700000113.3I33 D34 T36I33-G39 WeakPolarHBondContact CA-O 3.38Å; D34-G39 PolarHBondContact N-O 3.01Å; T36-G39 PolarHBondContact OG1-N 3.02Å
40L98.9Very high98.7Very high31 Ų3143.7 Ų43.716%0.16225%0.249CC..EExtended strand (participates in β ladder)trans-100.7141.8170.9-71.7163.1000110.9I31 W32 I33 F98 W219 R222 F223I31-L40 HydrophobicContact CG2-CD2 4.03Å; W32-L40 WeakPolarHBondContact O-CA 3.37Å; I33-L40 HydrophobicContact CG1-CD2 4.15Å; L40-F98 HydrophobicContact CD2-CE2 4.1Å; L40-W219 HydrophobicContact CD1-CE3 4.06Å; L40-W219 HydrophobicContact CD1-CZ3 4.41Å; L40-W219 HydrophobicContact CD2-CE3 3.84Å; L40-W219 HydrophobicContact CD2-CZ3 4.27Å; L40-W219 HydrophobicContact CG-CE3 4.06Å; L40-W219 HydrophobicContact CG-CZ3 4.17Å; L40-R222 HydrophobicContact CD1-CB 4.25Å; L40-F223 HydrophobicContact CB-CD2 4.38Å; L40-F223 HydrophobicContact CD1-CB 3.84Å; L40-F223 HydrophobicContact CD1-CD2 4.41Å
41R98.9Very high98.6Very high75 Ų7544 Ų4428%0.28325%0.251SS..EExtended strand (participates in β ladder)trans-123.7155176.3-55.3-63.4-178.9116.14109.4I31 W32 D34 S66 T67I31-R41 VanDerWaalsContact CA-O 3.31Å; I31-R41 WeakPolarHBondContact CA-O 3.36Å; W32-R41 HydrophobicContact CD2-CB 3.77Å; W32-R41 HydrophobicContact CE3-CB 4.16Å; W32-R41 HydrophobicContact CG-CB 4.4Å; W32-R41 HydrophobicContact CH2-CB 3.79Å; W32-R41 HydrophobicContact CZ2-CB 3.37Å; W32-R41 HydrophobicContact CZ2-CG 4.18Å; W32-R41 HydrophobicContact CZ3-CB 4.17Å; W32-R41 PolarHBondContact N-O 2.91Å; W32-R41 PolarHBondContact O-N 3.41Å; D34-R41 HydrophobicContact CB-CG 3.8Å; D34-R41 IonicContact OD2-CZ 3.3Å; D34-R41 VanDerWaalsContact OD2-CZ 3.3Å; D34-R41 IonicContact OD2-NE 2.69Å; D34-R41 PolarHBondContact OD2-NE 3.17Å; D34-R41 IonicContact OD2-NH2 2.84Å; D34-R41 PolarHBondContact OD2-NH2 2.92Å; R41-S66 PolarHBondContact NH1-O 2.86Å; R41-T67 HydrophobicContact CG-CG2 4.33Å
42C98.9Very high98.5Very high54 Ų5451.1 Ų51.137%0.36528%0.282SS..EExtended strand (participates in β ladder)trans-151.1158.5174.569.50000113.6M29 Y30 I31 W32 F223M29-C42 HydrophobicContact CG-CB 3.93Å; M29-C42 HydrophobicContact SD-CB 4.13Å; Y30-C42 CarbonylContact O-C 3.58Å; Y30-C42 WeakPolarHBondContact O-CA 3.42Å; Y30-C42 VanDerWaalsContact O-CB 3.26Å; Y30-C42 WeakPolarHBondContact O-CB 3.3Å; I31-C42 HydrophobicContact CG1-CB 4.13Å; W32-C42 VanDerWaalsContact CZ3-CA 3.49Å; C42-F223 HydrophobicContact CB-CE2 3.82Å; C42-F223 HydrophobicContact CB-CZ 4Å
43K98.9Very high98.5Very high61 Ų6153.5 Ų53.527%0.26530%0.298SS..EExtended strand (participates in β ladder)trans-154.6163.7166.964.7178.6-175.9169.60110.9M29 Y30 W32 W60 N61M29-K43 CarbonylContact C-O 3.47Å; M29-K43 WeakPolarHBondContact CA-O 3.36Å; Y30-K43 PolarHBondContact N-O 3.22Å; Y30-K43 PolarHBondContact O-N 3.48Å; W32-K43 HydrophobicContact CH2-CD 4.48Å; W32-K43 HydrophobicContact CH2-CG 4.25Å; W32-K43 HydrophobicContact CZ3-CG 4.05Å; K43-W60 HydrophobicContact CD-CH2 3.98Å; K43-W60 HydrophobicContact CD-CZ2 4.18Å; K43-W60 HydrophobicContact CD-CZ3 4.15Å; K43-W60 HydrophobicContact CG-CE3 4.3Å; K43-W60 HydrophobicContact CG-CH2 3.93Å; K43-W60 HydrophobicContact CG-CZ3 3.75Å; K43-N61 WeakPolarHBondContact CE-O 3.19Å; K43-N61 PolarHBondContact NZ-O 3.04Å
44T98.9Very high98.4Very high49 Ų4955.2 Ų55.230%0.30131%0.307SS..EExtended strand (participates in β ladder)trans-117.2130.3-170.9-58.30000112.6Q27 A28 W60 R90Q27-T44 HydrophobicContact CB-CG2 3.83Å; Q27-T44 HydrophobicContact CG-CG2 4.38Å; A28-T44 CarbonylContact O-C 3.47Å; A28-T44 WeakPolarHBondContact O-CA 3.34Å; T44-W60 VanDerWaalsContact C-CH2 3.49Å; T44-W60 WeakPolarHBondContact O-CH2 3.47Å; T44-R90 PolarHBondContact OG1-NH1 3.16Å; T44-R90 PolarHBondContact OG1-NH2 3.44Å
45K98.7Very high98.3Very high52 Ų5262.3 Ų62.323%0.22634%0.34CS..EExtended strand (participates in β ladder)trans-102.6147.2170-146.4169.1-1641550110.1Q27 A28 Y30 P58 W60Q27-K45 WeakPolarHBondContact CA-O 3.06Å; A28-K45 PolarHBondContact N-O 3.2Å; A28-K45 PolarHBondContact O-N 3.49Å; Y30-K45 HydrophobicContact CE2-CB 4.31Å; K45-P58 HydrophobicContact CD-CG 4.13Å; K45-W60 HydrophobicContact CB-CE3 4.03Å; K45-W60 HydrophobicContact CB-CH2 3.68Å; K45-W60 HydrophobicContact CB-CZ2 4.41Å; K45-W60 HydrophobicContact CB-CZ3 3.45Å; K45-W60 VanDerWaalsContact CB-CZ3 3.45Å; K45-W60 HydrophobicContact CD-CD2 3.99Å; K45-W60 HydrophobicContact CD-CE3 3.95Å; K45-W60 HydrophobicContact CD-CH2 4.39Å; K45-W60 HydrophobicContact CD-CZ2 4.4Å; K45-W60 HydrophobicContact CD-CZ3 4.18Å; K45-W60 HydrophobicContact CG-CE3 4.29Å; K45-W60 HydrophobicContact CG-CH2 3.9Å; K45-W60 HydrophobicContact CG-CZ2 4.14Å; K45-W60 HydrophobicContact CG-CZ3 3.99Å
46T98.9Very high98.2Very high94 Ų9465.3 Ų65.358%0.57735%0.349SS*.EExtended strand (participates in β ladder)trans-90.1132.6164.6-54.30000109K25 V26K25-T46 HydrophobicContact CB-CG2 3.8Å; K25-T46 HydrophobicContact CD-CG2 4.36Å; K25-T46 HydrophobicContact CG-CG2 4.22Å; V26-T46 CarbonylContact O-C 3.56Å; V26-T46 WeakPolarHBondContact O-CA 3.44Å
47L98.8Very high98.3Very high20 Ų2062.8 Ų62.811%0.10533%0.333CS..EExtended strand (participates in β ladder)trans-110.2152.4172.5-54.4179.2000109.5V26 A28 S49 P51 L57 P58V26-L47 HydrophobicContact CB-CB 4.38Å; V26-L47 PolarHBondContact N-O 3.02Å; V26-L47 PolarHBondContact O-N 3.09Å; A28-L47 HydrophobicContact CB-CD1 3.75Å; A28-L47 HydrophobicContact CB-CG 4.09Å; L47-S49 VanDerWaalsContact C-N 3.31Å; L47-P51 HydrophobicContact CD1-CB 4.5Å; L47-P51 HydrophobicContact CD1-CG 3.94Å; L47-L57 HydrophobicContact CD1-CD2 3.79Å; L47-P58 HydrophobicContact CD2-CG 4.22Å
48D98.6Very high98.3Very high123 Ų12364.8 Ų64.866%0.65834%0.344SS*.SBendtrans-73.6-25.1-178.3-69.8-36.4000113.2K25K25-D48 IonicContact NZ-OD1 2.93Å; K25-D48 PolarHBondContact NZ-OD1 2.95Å
49S98.2Very high98.3Very high82 Ų8266.9 Ų66.957%0.57335%0.354SS*.SBendtrans-151168.3178590000111L47 P51L47-S49 VanDerWaalsContact C-N 3.31Å; S49-P51 WeakPolarHBondContact O-CD 3.46Å
50E98.6Very high98.3Very high59 Ų5968.1 Ų68.128%0.27635%0.352SS..  trans-67.8121.5176.2-172.2-173.1-15800111.1V26 K52 P93 K95V26-E50 HydrophobicContact CG2-CB 4.08Å; E50-K52 IonicContact OE2-NZ 2.84Å; E50-K52 PolarHBondContact OE2-NZ 2.82Å; E50-P93 HydrophobicContact CB-CB 3.98Å; E50-P93 HydrophobicContact CG-CB 3.84Å; E50-K95 WeakPolarHBondContact OE1-CE 3.43Å; E50-K95 IonicContact OE1-NZ 2.81Å; E50-K95 PolarHBondContact OE1-NZ 2.94Å
51P98.3Very high98.3Very high7 Ų769.7 Ų69.75%0.04536%0.361CS..  trans-68.3138175.230.3-35.3000110L47 S49 D56 L57 M84 K95L47-P51 HydrophobicContact CD1-CB 4.5Å; L47-P51 HydrophobicContact CD1-CG 3.94Å; S49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-D56 HydrophobicContact CB-CB 3.7Å; P51-L57 HydrophobicContact CB-CD2 4.03Å; P51-L57 HydrophobicContact CB-CG 4.22Å; P51-L57 HydrophobicContact CG-CD2 3.82Å; P51-L57 HydrophobicContact CG-CG 4.43Å; P51-M84 HydrophobicContact CB-SD 4.25Å; P51-M84 HydrophobicContact CG-CE 4.48Å; P51-M84 HydrophobicContact CG-SD 3.71Å; P51-K95 HydrophobicContact CG-CG 3.81Å
52K97Very high98.2Very high149 Ų14966.7 Ų66.765%0.64835%0.35SS*.SBendtrans-97.7-31.8179.7-58.1-54.4178.4-176.30111.5E50 D56E50-K52 IonicContact OE2-NZ 2.84Å; E50-K52 PolarHBondContact OE2-NZ 2.82Å; K52-D56 WeakPolarHBondContact CA-OD2 3.5Å; K52-D56 PolarHBondContact N-OD2 3.29Å
53T97.6Very high98.2Very high62 Ų6266.9 Ų66.938%0.3835%0.347SS..SBendtrans-130.8176175.875.50000111.7E55 D56T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 WeakPolarHBondContact CB-OE2 3.31Å; T53-E55 PolarHBondContact O-N 3.2Å; T53-E55 PolarHBondContact OG1-N 3.34Å; T53-E55 PolarHBondContact OG1-OE2 3.25Å; T53-D56 PolarHBondContact N-OD2 3.14Å; T53-D56 PolarHBondContact O-N 3.41Å
54I96.6Very high98.2Very high47 Ų4764 Ų6424%0.24134%0.335CS..G310 helixtrans-66-33.1177-71.4-70.8000111.2D56 L57 P81 V83 M84I54-D56 PolarHBondContact O-N 3.4Å; I54-L57 HydrophobicContact CD1-CD1 4.13Å; I54-L57 WeakPolarHBondContact O-CB 3.36Å; I54-L57 PolarHBondContact O-N 3.21Å; I54-P81 HydrophobicContact CG2-CB 4.1Å; I54-V83 VanDerWaalsContact CD1-C 3.48Å; I54-M84 HydrophobicContact CD1-CB 3.48Å; I54-M84 VanDerWaalsContact CD1-CB 3.48Å
55E96.8Very high98.1Very high156 Ų15664 Ų6473%0.72934%0.337SS*.G310 helixtrans-67.6-21.6-178.5-60.771.2-15300112.6T53 L57T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 WeakPolarHBondContact CB-OE2 3.31Å; T53-E55 PolarHBondContact O-N 3.2Å; T53-E55 PolarHBondContact OG1-N 3.34Å; T53-E55 PolarHBondContact OG1-OE2 3.25Å; E55-L57 PolarHBondContact O-N 3.4Å
56D97.4Very high98.1Very high89 Ų8965.1 Ų65.148%0.47635%0.351SS..G310 helixtrans-73.8-13.9173.6-62.5-34.5000112.6P51 K52 T53 I54P51-D56 HydrophobicContact CB-CB 3.7Å; K52-D56 WeakPolarHBondContact CA-OD2 3.5Å; K52-D56 PolarHBondContact N-OD2 3.29Å; T53-D56 PolarHBondContact N-OD2 3.14Å; T53-D56 PolarHBondContact O-N 3.41Å; I54-D56 PolarHBondContact O-N 3.4Å
57L98.5Very high98.1Very high10 Ų1061 Ų615%0.05233%0.326CS..SBendtrans-89.4124.1-179-66.4166000110.3A28 L47 P51 I54 E55 P81 M84 V97A28-L57 HydrophobicContact CB-CD2 4.35Å; L47-L57 HydrophobicContact CD1-CD2 3.79Å; P51-L57 HydrophobicContact CB-CD2 4.03Å; P51-L57 HydrophobicContact CB-CG 4.22Å; P51-L57 HydrophobicContact CG-CD2 3.82Å; P51-L57 HydrophobicContact CG-CG 4.43Å; I54-L57 HydrophobicContact CD1-CD1 4.13Å; I54-L57 WeakPolarHBondContact O-CB 3.36Å; I54-L57 PolarHBondContact O-N 3.21Å; E55-L57 PolarHBondContact O-N 3.4Å; L57-P81 HydrophobicContact CB-CB 4.03Å; L57-P81 HydrophobicContact CB-CG 3.81Å; L57-P81 HydrophobicContact CD1-CB 4.17Å; L57-M84 HydrophobicContact CD1-CB 4.22Å; L57-M84 HydrophobicContact CD1-CG 4.36Å; L57-M84 HydrophobicContact CD1-SD 3.81Å; L57-M84 HydrophobicContact CG-SD 4.38Å; L57-V97 HydrophobicContact CD1-CB 4.33Å; L57-V97 HydrophobicContact CD1-CG1 3.71Å; L57-V97 HydrophobicContact CD1-CG2 3.62Å; L57-V97 HydrophobicContact CD2-CG2 3.92Å; L57-V97 HydrophobicContact CG-CG2 4.43Å
58P98.4Very high98Very high51 Ų5168.2 Ų68.233%0.33135%0.353SS..PPolyproline II helixtrans-69.8148.5177.629.1-35000111Y30 K45 L47Y30-P58 WeakPolarHBondContact CE1-O 3.32Å; Y30-P58 WeakPolarHBondContact OH-CD 3.47Å; Y30-P58 PolarHBondContact OH-O 3.26Å; K45-P58 HydrophobicContact CD-CG 4.13Å; L47-P58 HydrophobicContact CD2-CG 4.22Å
59E98.4Very high98Very high112 Ų11263.2 Ų63.252%0.52333%0.326SS..PPolyproline II helixtrans-56.2154.9160.7-66.6-176.3-167.300110.4I80E59-I80 VanDerWaalsContact CD-CD1 3.43Å; E59-I80 HydrophobicContact CG-CD1 3.78Å
60W98.6Very high97.8Very high47 Ų4761 Ų6118%0.17831%0.31CS..EExtended strand (participates in β ladder)trans-141.5179.9174.7-152.6-0.6000110.6Y30 K43 T44 K45 Y78 L79Y30-W60 HydrophobicContact CD1-CB 4.28Å; Y30-W60 HydrophobicContact CD1-CE3 4.14Å; Y30-W60 AromaticContact CD2-CE3 3.74Å; Y30-W60 HydrophobicContact CD2-CE3 3.74Å; Y30-W60 AromaticContact CD2-CZ3 3.97Å; Y30-W60 HydrophobicContact CD2-CZ3 3.97Å; Y30-W60 HydrophobicContact CE1-CB 4.14Å; Y30-W60 HydrophobicContact CE1-CE3 4.44Å; Y30-W60 HydrophobicContact CE2-CE3 4.09Å; Y30-W60 HydrophobicContact CE2-CZ3 4.49Å; Y30-W60 AromaticContact CG-CE3 3.79Å; Y30-W60 HydrophobicContact CG-CE3 3.79Å; Y30-W60 HydrophobicContact CG-CZ3 4.3Å; K43-W60 HydrophobicContact CD-CH2 3.98Å; K43-W60 HydrophobicContact CD-CZ2 4.18Å; K43-W60 HydrophobicContact CD-CZ3 4.15Å; K43-W60 HydrophobicContact CG-CE3 4.3Å; K43-W60 HydrophobicContact CG-CH2 3.93Å; K43-W60 HydrophobicContact CG-CZ3 3.75Å; T44-W60 VanDerWaalsContact C-CH2 3.49Å; T44-W60 WeakPolarHBondContact O-CH2 3.47Å; K45-W60 HydrophobicContact CB-CE3 4.03Å; K45-W60 HydrophobicContact CB-CH2 3.68Å; K45-W60 HydrophobicContact CB-CZ2 4.41Å; K45-W60 HydrophobicContact CB-CZ3 3.45Å; K45-W60 VanDerWaalsContact CB-CZ3 3.45Å; K45-W60 HydrophobicContact CD-CD2 3.99Å; K45-W60 HydrophobicContact CD-CE3 3.95Å; K45-W60 HydrophobicContact CD-CH2 4.39Å; K45-W60 HydrophobicContact CD-CZ2 4.4Å; K45-W60 HydrophobicContact CD-CZ3 4.18Å; K45-W60 HydrophobicContact CG-CE3 4.29Å; K45-W60 HydrophobicContact CG-CH2 3.9Å; K45-W60 HydrophobicContact CG-CZ2 4.14Å; K45-W60 HydrophobicContact CG-CZ3 3.99Å; W60-Y78 CarbonylContact O-C 3.59Å; W60-Y78 WeakPolarHBondContact O-CA 3.47Å; W60-L79 HydrophobicContact CB-CB 4.39Å; W60-L79 PolarHBondContact N-O 3.22Å; W60-L79 VanDerWaalsContact N-O 3.11Å; W60-L79 PolarHBondContact O-N 3.1Å
61N98.6Very high97.5Very high65 Ų6565.4 Ų65.435%0.34833%0.331SS..EExtended strand (participates in β ladder)trans-140.6162.8-177.269.1-65.8000110.2K43 M77K43-N61 WeakPolarHBondContact CE-O 3.19Å; K43-N61 PolarHBondContact NZ-O 3.04Å; N61-M77 CarbonylContact C-O 3.6Å; N61-M77 WeakPolarHBondContact CA-O 3.48Å; N61-M77 VanDerWaalsContact CB-O 3.29Å; N61-M77 WeakPolarHBondContact CB-O 3.38Å
62F98.8Very high97Very high11 Ų1168 Ų685%0.04836%0.358CS..EExtended strand (participates in β ladder)trans-151.1167.8172.767.5-78000110.5W32 G64 T67 M77 L79 V101W32-F62 AromaticContact CD1-CZ 3.87Å; W32-F62 HydrophobicContact CZ2-CB 4.24Å; W32-F62 HydrophobicContact CZ2-CD1 4.4Å; W32-F62 AromaticContact CZ2-CD2 3.84Å; W32-F62 HydrophobicContact CZ2-CD2 3.84Å; W32-F62 HydrophobicContact CZ2-CE2 4.32Å; W32-F62 AromaticContact CZ2-CG 3.89Å; W32-F62 HydrophobicContact CZ2-CG 3.89Å; W32-F62 AromaticContact NE1-CD2 3.9Å; W32-F62 AromaticContact NE1-CE1 3.91Å; W32-F62 AromaticContact NE1-CE2 3.46Å; W32-F62 AromaticContact NE1-CZ 3.46Å; F62-G64 PolarHBondContact O-N 2.8Å; F62-T67 HydrophobicContact CD2-CG2 4.08Å; F62-T67 HydrophobicContact CE2-CG2 4.01Å; F62-T67 WeakPolarHBondContact CE2-OG1 3.43Å; F62-M77 HydrophobicContact CD1-CB 4.16Å; F62-M77 HydrophobicContact CE1-CB 3.6Å; F62-M77 HydrophobicContact CE2-CB 4.2Å; F62-M77 HydrophobicContact CE2-SD 4.11Å; F62-M77 HydrophobicContact CZ-CB 3.63Å; F62-M77 HydrophobicContact CZ-CG 4.26Å; F62-M77 HydrophobicContact CZ-SD 3.8Å; F62-M77 PolarHBondContact N-O 3.01Å; F62-M77 PolarHBondContact O-N 3.24Å; F62-L79 HydrophobicContact CD1-CD1 4.03Å; F62-L79 HydrophobicContact CD1-CD2 3.69Å; F62-L79 HydrophobicContact CD1-CG 3.65Å; F62-L79 HydrophobicContact CE1-CD2 3.52Å; F62-L79 HydrophobicContact CE1-CG 3.95Å; F62-V101 HydrophobicContact CE1-CG1 3.87Å; F62-V101 HydrophobicContact CE1-CG2 4.44Å; F62-V101 HydrophobicContact CZ-CG1 3.73Å; F62-V101 HydrophobicContact CZ-CG2 4.46Å
63D98.4Very high96.7Very high59 Ų5966 Ų6632%0.31636%0.364SS..EExtended strand (participates in β ladder)trans-82.4104.1174.6170.631.1000110.7S65 S66 S75D63-S65 VanDerWaalsContact C-N 3.25Å; D63-S65 VanDerWaalsContact CG-OG 3.3Å; D63-S65 PolarHBondContact O-N 3.44Å; D63-S65 WeakPolarHBondContact OD1-CB 3.4Å; D63-S65 PolarHBondContact OD1-N 2.8Å; D63-S65 VanDerWaalsContact OD1-N 3.12Å; D63-S65 PolarHBondContact OD1-OG 2.93Å; D63-S65 PolarHBondContact OD2-OG 2.86Å; D63-S66 PolarHBondContact O-N 3Å; D63-S66 WeakPolarHBondContact OD2-CB 3.44Å; D63-S66 PolarHBondContact OD2-OG 3.48Å; D63-S75 WeakPolarHBondContact OD1-CB 3.47Å; D63-S75 PolarHBondContact OD1-OG 3.42Å
64G98.1Very high96.4Very high0 Ų066.4 Ų66.40%036%0.363CS..G310 helixtrans-69.3-17.7179.700000114.5F62 S66 T67 Y68 Q69 S70 S75F62-G64 PolarHBondContact O-N 2.8Å; G64-S66 PolarHBondContact O-N 2.89Å; G64-T67 WeakPolarHBondContact CA-OG1 3.27Å; G64-T67 PolarHBondContact O-N 3.38Å; G64-T67 PolarHBondContact O-OG1 3.45Å; G64-T67 VanDerWaalsContact O-OG1 3.11Å; G64-Y68 PolarHBondContact O-N 3.13Å; G64-Q69 PolarHBondContact O-N 3.2Å; G64-S70 VanDerWaalsContact CA-OG 3.3Å; G64-S70 WeakPolarHBondContact CA-OG 3.42Å; G64-S70 PolarHBondContact O-N 3.19Å; G64-S75 WeakPolarHBondContact CA-O 3.33Å; G64-S75 PolarHBondContact N-O 2.88Å
65S97.6Very high96.3Very high49 Ų4965.3 Ų65.334%0.34336%0.36SS..G310 helixtrans-71.3-24.4178.373.60000111.5D63 T67 S70D63-S65 VanDerWaalsContact C-N 3.25Å; D63-S65 VanDerWaalsContact CG-OG 3.3Å; D63-S65 PolarHBondContact O-N 3.44Å; D63-S65 WeakPolarHBondContact OD1-CB 3.4Å; D63-S65 PolarHBondContact OD1-N 2.8Å; D63-S65 VanDerWaalsContact OD1-N 3.12Å; D63-S65 PolarHBondContact OD1-OG 2.93Å; D63-S65 PolarHBondContact OD2-OG 2.86Å; S65-T67 VanDerWaalsContact C-N 3.32Å; S65-S70 WeakPolarHBondContact CA-O 3.16Å; S65-S70 PolarHBondContact N-OG 2.91Å
66S98.1Very high96.3Very high76 Ų7662.2 Ų62.253%0.53135%0.348SS..G310 helixtrans-86.31.9175.4-65.50000113.8R41 D63 G64R41-S66 PolarHBondContact NH1-O 2.86Å; D63-S66 PolarHBondContact O-N 3Å; D63-S66 WeakPolarHBondContact OD2-CB 3.44Å; D63-S66 PolarHBondContact OD2-OG 3.48Å; G64-S66 PolarHBondContact O-N 2.89Å
67T98.1Very high96.4Very high6 Ų658 Ų584%0.03733%0.326CS..G310 helixtrans-132.914.8-175.364.80000113.6W32 G35 R41 F62 G64 S65 Q69W32-T67 HydrophobicContact CZ2-CG2 4.49Å; G35-T67 PolarHBondContact N-O 3.48Å; R41-T67 HydrophobicContact CG-CG2 4.33Å; F62-T67 HydrophobicContact CD2-CG2 4.08Å; F62-T67 HydrophobicContact CE2-CG2 4.01Å; F62-T67 WeakPolarHBondContact CE2-OG1 3.43Å; G64-T67 WeakPolarHBondContact CA-OG1 3.27Å; G64-T67 PolarHBondContact O-N 3.38Å; G64-T67 PolarHBondContact O-OG1 3.45Å; G64-T67 VanDerWaalsContact O-OG1 3.11Å; S65-T67 VanDerWaalsContact C-N 3.32Å; T67-Q69 VanDerWaalsContact C-N 3.31Å; T67-Q69 PolarHBondContact O-N 3.03Å; T67-Q69 PolarHBondContact OG1-OE1 2.88Å
68Y97.8Very high96.4Very high172 Ų17261.1 Ų61.168%0.67534%0.337SS*.THydrogen-bonded Turntrans65.326.9-178.8-42.6-75000114.4T36 G64T36-Y68 HydrophobicContact CG2-CD2 4Å; T36-Y68 HydrophobicContact CG2-CE2 4.32Å; G64-Y68 PolarHBondContact O-N 3.13Å
69Q97.6Very high96.4Very high19 Ų1958.7 Ų58.79%0.08932%0.322CS..SBendtrans-118-12.9-172.7-67.2173.2-71.900114.3I33 G35 G64 T67 M77I33-Q69 PolarHBondContact O-NE2 3.26Å; I33-Q69 VanDerWaalsContact O-NE2 3.14Å; G35-Q69 VanDerWaalsContact CA-CG 3.41Å; G35-Q69 VanDerWaalsContact N-CG 3.29Å; G64-Q69 PolarHBondContact O-N 3.2Å; T67-Q69 VanDerWaalsContact C-N 3.31Å; T67-Q69 PolarHBondContact O-N 3.03Å; T67-Q69 PolarHBondContact OG1-OE1 2.88Å; Q69-M77 HydrophobicContact CB-CE 3.89Å; Q69-M77 HydrophobicContact CB-SD 3.27Å; Q69-M77 WeakPolarHBondContact CB-SD 3.37Å; Q69-M77 HydrophobicContact CG-SD 4.28Å
70S95.4Very high96.4Very high36 Ų3655.2 Ų55.225%0.25231%0.306SS..SBendtrans-152.6165.6178.568.50000112.2G64 S65 S75G64-S70 VanDerWaalsContact CA-OG 3.3Å; G64-S70 WeakPolarHBondContact CA-OG 3.42Å; G64-S70 PolarHBondContact O-N 3.19Å; S65-S70 WeakPolarHBondContact CA-O 3.16Å; S65-S70 PolarHBondContact N-OG 2.91Å; S70-S75 WeakPolarHBondContact OG-CA 3.41Å; S70-S75 WeakPolarHBondContact OG-CB 3.13Å; S70-S75 PolarHBondContact OG-O 2.95Å
71E91.1Very high96.4Very high150 Ų15053.8 Ų53.870%0.70130%0.303SS*.  trans-81.3155.1168.4-62.5-176.4178.700110.8S73 N74 S75E71-S73 PolarHBondContact O-N 3.16Å; E71-N74 CarbonylContact O-C 3.5Å; E71-N74 PolarHBondContact O-N 2.96Å; E71-S75 WeakPolarHBondContact O-CB 3.48Å; E71-S75 PolarHBondContact O-N 3.46Å
72G88.8Confident96.4Very high61 Ų6151.6 Ų51.663%0.62929%0.294SS*.THydrogen-bonded Turntrans-65.9-21.2-177.500000115N74G72-N74 VanDerWaalsContact C-N 3.32Å; G72-N74 PolarHBondContact O-N 3.19Å
73S89.5Confident96.4Very high108 Ų10852.2 Ų52.276%0.75530%0.299SS*.THydrogen-bonded Turntrans-75.3-18.418055.60000113.8E71E71-S73 PolarHBondContact O-N 3.16Å
74N91.9Very high96.4Very high70 Ų7051.5 Ų51.537%0.37429%0.294SS..SBendtrans-154.173.3178.5-174.610.1000109.3E71 G72 Y104E71-N74 CarbonylContact O-C 3.5Å; E71-N74 PolarHBondContact O-N 2.96Å; G72-N74 VanDerWaalsContact C-N 3.32Å; G72-N74 PolarHBondContact O-N 3.19Å; N74-Y104 WeakPolarHBondContact ND2-CD1 3.23Å; N74-Y104 WeakPolarHBondContact ND2-CD2 3.49Å; N74-Y104 WeakPolarHBondContact ND2-CE1 3.46Å; N74-Y104 VanDerWaalsContact ND2-CG 3.27Å
75S94.4Very high96.5Very high25 Ų2552.1 Ų52.118%0.17530%0.297CS..  trans-101.4-11.7-164.173.60000116.1D63 G64 S70 E71 M77D63-S75 WeakPolarHBondContact OD1-CB 3.47Å; D63-S75 PolarHBondContact OD1-OG 3.42Å; G64-S75 WeakPolarHBondContact CA-O 3.33Å; G64-S75 PolarHBondContact N-O 2.88Å; S70-S75 WeakPolarHBondContact OG-CA 3.41Å; S70-S75 WeakPolarHBondContact OG-CB 3.13Å; S70-S75 PolarHBondContact OG-O 2.95Å; E71-S75 WeakPolarHBondContact O-CB 3.48Å; E71-S75 PolarHBondContact O-N 3.46Å; S75-M77 PolarHBondContact O-N 3.38Å
76D97.1Very high96.5Very high90 Ų9054.1 Ų54.148%0.48130%0.297SS..EExtended strand (participates in β ladder)trans-66125.2179.2-79.3-30000111.1
77M98.6Very high96.6Very high2 Ų250.5 Ų50.51%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-123153.7173.8-60.3-169.186.700110N61 F62 Q69 S75 V101 L102 K103 A109N61-M77 CarbonylContact C-O 3.6Å; N61-M77 WeakPolarHBondContact CA-O 3.48Å; N61-M77 VanDerWaalsContact CB-O 3.29Å; N61-M77 WeakPolarHBondContact CB-O 3.38Å; F62-M77 HydrophobicContact CD1-CB 4.16Å; F62-M77 HydrophobicContact CE1-CB 3.6Å; F62-M77 HydrophobicContact CE2-CB 4.2Å; F62-M77 HydrophobicContact CE2-SD 4.11Å; F62-M77 HydrophobicContact CZ-CB 3.63Å; F62-M77 HydrophobicContact CZ-CG 4.26Å; F62-M77 HydrophobicContact CZ-SD 3.8Å; F62-M77 PolarHBondContact N-O 3.01Å; F62-M77 PolarHBondContact O-N 3.24Å; Q69-M77 HydrophobicContact CB-CE 3.89Å; Q69-M77 HydrophobicContact CB-SD 3.27Å; Q69-M77 WeakPolarHBondContact CB-SD 3.37Å; Q69-M77 HydrophobicContact CG-SD 4.28Å; S75-M77 PolarHBondContact O-N 3.38Å; M77-V101 HydrophobicContact CB-CG1 4.35Å; M77-V101 HydrophobicContact CE-CG1 3.62Å; M77-V101 HydrophobicContact SD-CG1 4.18Å; M77-L102 CarbonylContact C-O 3.27Å; M77-L102 WeakPolarHBondContact CA-O 3.35Å; M77-L102 WeakPolarHBondContact CB-O 3.32Å; M77-K103 HydrophobicContact CE-CG 3.92Å; M77-A109 HydrophobicContact CE-CB 3.75Å
78Y98.8Very high96.6Very high74 Ų7451.5 Ų51.529%0.2928%0.278SS..EExtended strand (participates in β ladder)trans-101.1144.3-177.7-59.4-78.6000112.1W60 V101 L102 K103 H106W60-Y78 CarbonylContact O-C 3.59Å; W60-Y78 WeakPolarHBondContact O-CA 3.47Å; Y78-V101 WeakPolarHBondContact O-CA 3.37Å; Y78-L102 PolarHBondContact N-O 3.44Å; Y78-L102 PolarHBondContact O-N 3.49Å; Y78-K103 WeakPolarHBondContact CD2-O 3.48Å; Y78-H106 AromaticContact CE2-CE1 3.82Å; Y78-H106 AromaticContact CE2-NE2 3.8Å
79L98.9Very high96.7Very high0 Ų045.3 Ų45.30%026%0.255CS..EExtended strand (participates in β ladder)trans-108.4116.9170.1-63.3173.9000108.4Y30 W32 W60 F62 C99 E100 V101Y30-L79 HydrophobicContact CD1-CB 4.29Å; Y30-L79 HydrophobicContact CD1-CD1 4.36Å; W32-L79 HydrophobicContact CB-CD2 3.7Å; W32-L79 HydrophobicContact CD2-CD1 4.37Å; W32-L79 HydrophobicContact CD2-CD2 3.75Å; W32-L79 HydrophobicContact CE3-CD1 3.87Å; W32-L79 HydrophobicContact CE3-CD2 4Å; W32-L79 HydrophobicContact CG-CD2 3.64Å; W32-L79 HydrophobicContact CZ3-CD1 4.06Å; W60-L79 HydrophobicContact CB-CB 4.39Å; W60-L79 PolarHBondContact N-O 3.22Å; W60-L79 VanDerWaalsContact N-O 3.11Å; W60-L79 PolarHBondContact O-N 3.1Å; F62-L79 HydrophobicContact CD1-CD1 4.03Å; F62-L79 HydrophobicContact CD1-CD2 3.69Å; F62-L79 HydrophobicContact CD1-CG 3.65Å; F62-L79 HydrophobicContact CE1-CD2 3.52Å; F62-L79 HydrophobicContact CE1-CG 3.95Å; L79-C99 HydrophobicContact CB-CB 4.04Å; L79-C99 HydrophobicContact CD2-CB 4.05Å; L79-E100 WeakPolarHBondContact CA-O 3.43Å; L79-V101 HydrophobicContact CD2-CG2 4.18Å
80I98.8Very high96.7Very high39 Ų3947.1 Ų47.120%0.226%0.261CS..EExtended strand (participates in β ladder)trans-105.4113177.4-48.7-57.2000108E59 A82 C99 E100 L102E59-I80 VanDerWaalsContact CD-CD1 3.43Å; E59-I80 HydrophobicContact CG-CD1 3.78Å; I80-A82 PolarHBondContact O-N 3.38Å; I80-C99 CarbonylContact O-C 3.59Å; I80-C99 VanDerWaalsContact O-CA 3.25Å; I80-C99 WeakPolarHBondContact O-CA 3.08Å; I80-E100 HydrophobicContact CB-CB 4.37Å; I80-E100 PolarHBondContact N-O 3.05Å; I80-E100 PolarHBondContact O-N 3.13Å; I80-L102 HydrophobicContact CD1-CD1 4.03Å; I80-L102 HydrophobicContact CG1-CD1 3.63Å; I80-L102 HydrophobicContact CG1-CG 3.85Å
81P98.8Very high96.9Very high17 Ų1751.8 Ų51.811%0.1128%0.276CS..EExtended strand (participates in β ladder)trans-51.6126176.4-29.337000111.8Y30 I54 L57 V97Y30-P81 HydrophobicContact CE1-CG 3.9Å; I54-P81 HydrophobicContact CG2-CB 4.1Å; L57-P81 HydrophobicContact CB-CB 4.03Å; L57-P81 HydrophobicContact CB-CG 3.81Å; L57-P81 HydrophobicContact CD1-CB 4.17Å; P81-V97 HydrophobicContact CB-CG1 3.8Å; P81-V97 HydrophobicContact CG-CG1 4.23Å
82A98.6Very high97.2Very high19 Ų1947.7 Ų47.716%0.15726%0.26CS..EExtended strand (participates in β ladder)trans-114.9-43.9-17400000112.4I80 F98 E100I80-A82 PolarHBondContact O-N 3.38Å; A82-F98 WeakPolarHBondContact CA-O 3.46Å; A82-F98 WeakPolarHBondContact CB-O 3.47Å; A82-F98 PolarHBondContact N-O 3.05Å; A82-E100 HydrophobicContact CB-CG 4.36Å
83V98.6Very high97.7Very high24 Ų2446.4 Ų46.415%0.14524%0.24CC..EExtended strand (participates in β ladder)trans-150.5151.6175.963.50000109.9I54 F85 F98 D216I54-V83 VanDerWaalsContact CD1-C 3.48Å; V83-F85 HydrophobicContact CB-CE2 4.22Å; V83-F85 HydrophobicContact CG1-CD2 4.4Å; V83-F85 HydrophobicContact CG1-CE2 3.65Å; V83-F85 HydrophobicContact CG2-CD2 4.29Å; V83-F85 HydrophobicContact CG2-CE2 3.56Å; V83-F85 HydrophobicContact CG2-CZ 3.86Å; V83-F98 HydrophobicContact CG1-CB 3.65Å; V83-F98 HydrophobicContact CG1-CD1 4.29Å; V83-F98 HydrophobicContact CG1-CG 4.42Å; V83-F98 PolarHBondContact N-O 3.08Å; V83-F98 PolarHBondContact O-N 2.73Å; V83-D216 HydrophobicContact CB-CB 4.48Å; V83-D216 HydrophobicContact CG1-CB 3.91Å
84M98.8Very high98.2Very high45 Ų4541.3 Ų41.322%0.22220%0.204CC..EExtended strand (participates in β ladder)trans-129.2135-173.5176.51746100109.9P51 I54 L57 K95 L96P51-M84 HydrophobicContact CB-SD 4.25Å; P51-M84 HydrophobicContact CG-CE 4.48Å; P51-M84 HydrophobicContact CG-SD 3.71Å; I54-M84 HydrophobicContact CD1-CB 3.48Å; I54-M84 VanDerWaalsContact CD1-CB 3.48Å; L57-M84 HydrophobicContact CD1-CB 4.22Å; L57-M84 HydrophobicContact CD1-CG 4.36Å; L57-M84 HydrophobicContact CD1-SD 3.81Å; L57-M84 HydrophobicContact CG-SD 4.38Å; M84-K95 HydrophobicContact CG-CB 4.06Å; M84-K95 HydrophobicContact CG-CD 4.11Å; M84-K95 HydrophobicContact CG-CG 4.21Å; M84-K95 HydrophobicContact SD-CB 4.06Å; M84-K95 HydrophobicContact SD-CD 3.8Å; M84-K95 HydrophobicContact SD-CG 3.69Å; M84-L96 CarbonylContact C-O 3.42Å; M84-L96 WeakPolarHBondContact CA-O 3.48Å
85F98.9Very high98.5Very high13 Ų1338.6 Ų38.66%0.05719%0.189CC..EExtended strand (participates in β ladder)trans-128.1162.4177.6-65.2-89.6000110.1V83 K95 L96 A186 V188 H217 V220V83-F85 HydrophobicContact CB-CE2 4.22Å; V83-F85 HydrophobicContact CG1-CD2 4.4Å; V83-F85 HydrophobicContact CG1-CE2 3.65Å; V83-F85 HydrophobicContact CG2-CD2 4.29Å; V83-F85 HydrophobicContact CG2-CE2 3.56Å; V83-F85 HydrophobicContact CG2-CZ 3.86Å; F85-K95 CarbonylContact O-C 3.51Å; F85-K95 WeakPolarHBondContact O-CA 3.23Å; F85-L96 HydrophobicContact CB-CB 4.31Å; F85-L96 PolarHBondContact N-O 3.23Å; F85-L96 PolarHBondContact O-N 2.75Å; F85-A186 HydrophobicContact CB-CB 4.35Å; F85-A186 WeakPolarHBondContact CD1-O 3.3Å; F85-V188 HydrophobicContact CD1-CG2 4.19Å; F85-V188 HydrophobicContact CE1-CG2 4.14Å; F85-H217 AromaticContact CE1-CE1 3.66Å; F85-H217 AromaticContact CE1-ND1 3.88Å; F85-H217 AromaticContact CZ-CE1 3.97Å; F85-V220 HydrophobicContact CD2-CB 4.25Å; F85-V220 HydrophobicContact CD2-CG1 3.86Å; F85-V220 HydrophobicContact CD2-CG2 3.89Å; F85-V220 HydrophobicContact CE2-CB 4.06Å; F85-V220 HydrophobicContact CE2-CG1 4.14Å; F85-V220 HydrophobicContact CE2-CG2 3.68Å; F85-V220 HydrophobicContact CG-CG1 4.21Å
86R98.9Very high98.7Very high90 Ų9037.4 Ų37.434%0.3418%0.181SC..EExtended strand (participates in β ladder)trans-70142.9169.2-61.4164.563.7-155.616.7109P88 D92 Y185 A186R86-P88 VanDerWaalsContact O-CD 3.25Å; R86-P88 WeakPolarHBondContact O-CD 3.45Å; R86-D92 WeakPolarHBondContact CG-OD1 3.35Å; R86-D92 IonicContact CZ-OD1 3.65Å; R86-D92 IonicContact CZ-OD2 3.53Å; R86-D92 VanDerWaalsContact NE-CG 3.34Å; R86-D92 IonicContact NE-OD1 3.63Å; R86-D92 PolarHBondContact NE-OD1 3.49Å; R86-D92 IonicContact NE-OD2 2.97Å; R86-D92 PolarHBondContact NE-OD2 2.7Å; R86-D92 IonicContact NH2-OD1 3.19Å; R86-D92 IonicContact NH2-OD2 3.39Å; R86-D92 PolarHBondContact NH2-OD2 3.45Å; R86-Y185 HydrophobicContact CB-CD1 4.26Å; R86-Y185 HydrophobicContact CB-CE1 3.98Å; R86-Y185 WeakPolarHBondContact CD-O 3.46Å; R86-Y185 PolarHBondContact NH1-O 3.36Å; R86-Y185 PolarHBondContact NH2-OH 2.95Å; R86-A186 PolarHBondContact N-O 2.77Å; R86-A186 VanDerWaalsContact N-O 3.16Å; R86-A186 WeakPolarHBondContact O-CA 3.38Å; R86-A186 WeakPolarHBondContact O-CB 3.25Å
87D98.9Very high98.8Very high0 Ų033.1 Ų33.10%016%0.158CC..  trans-83110.6178-171.6-32.8000110.8F89 R90 K91 N94 L96D87-F89 PolarHBondContact O-N 3.43Å; D87-F89 WeakPolarHBondContact OD1-CA 3.48Å; D87-F89 VanDerWaalsContact OD1-CB 3.28Å; D87-F89 WeakPolarHBondContact OD1-CB 3.47Å; D87-F89 WeakPolarHBondContact OD1-CD2 3.46Å; D87-F89 PolarHBondContact OD1-N 3.29Å; D87-R90 HydrophobicContact CB-CB 4.34Å; D87-R90 PolarHBondContact OD1-N 2.65Å; D87-R90 WeakPolarHBondContact OD2-CD 3.09Å; D87-R90 IonicContact OD2-NH1 2.88Å; D87-K91 WeakPolarHBondContact O-CA 3.48Å; D87-K91 PolarHBondContact O-N 3.44Å; D87-N94 HydrophobicContact CB-CB 4.01Å; D87-N94 PolarHBondContact N-O 3.15Å; D87-L96 HydrophobicContact CB-CD2 3.99Å; D87-L96 HydrophobicContact CB-CG 4.19Å; D87-L96 WeakPolarHBondContact OD2-CD2 3.24Å
88P98.9Very high98.8Very high28 Ų2833.2 Ų33.218%0.18216%0.158CC..THydrogen-bonded Turntrans-74.8-13.1-179.932.4-34.8000113.3R86 A182 Y185 A186 I224R86-P88 VanDerWaalsContact O-CD 3.25Å; R86-P88 WeakPolarHBondContact O-CD 3.45Å; P88-A182 HydrophobicContact CB-CB 3.71Å; P88-A182 HydrophobicContact CG-CB 3.91Å; P88-Y185 HydrophobicContact CB-CD1 3.95Å; P88-A186 HydrophobicContact CG-CB 4.44Å; P88-I224 HydrophobicContact CG-CD1 4.29Å; P88-I224 HydrophobicContact CG-CG1 4.36Å; P88-I224 HydrophobicContact CG-CG2 4.49Å
89F98.9Very high98.8Very high42 Ų4229.9 Ų29.918%0.18415%0.146CC..THydrogen-bonded Turntrans-90.6-28.8-179.6-49.1-70.6000112.1M18 D87 F223 I224 R227 V228M18-F89 WeakPolarHBondContact CE-O 3.42Å; D87-F89 PolarHBondContact O-N 3.43Å; D87-F89 WeakPolarHBondContact OD1-CA 3.48Å; D87-F89 VanDerWaalsContact OD1-CB 3.28Å; D87-F89 WeakPolarHBondContact OD1-CB 3.47Å; D87-F89 WeakPolarHBondContact OD1-CD2 3.46Å; D87-F89 PolarHBondContact OD1-N 3.29Å; F89-F223 HydrophobicContact CE2-CE1 4.34Å; F89-I224 HydrophobicContact CE2-CG1 4.3Å; F89-I224 HydrophobicContact CZ-CB 4.25Å; F89-I224 HydrophobicContact CZ-CG1 4.32Å; F89-I224 HydrophobicContact CZ-CG2 3.9Å; F89-R227 HydrophobicContact CD1-CB 4.4Å; F89-R227 HydrophobicContact CD2-CB 4.47Å; F89-R227 HydrophobicContact CE1-CB 3.62Å; F89-R227 HydrophobicContact CE2-CB 3.69Å; F89-R227 HydrophobicContact CE2-CG 3.95Å; F89-R227 HydrophobicContact CZ-CB 3.22Å; F89-R227 HydrophobicContact CZ-CG 4.01Å; F89-V228 HydrophobicContact CE1-CG2 3.96Å; F89-V228 HydrophobicContact CZ-CG2 4.41Å
90R98.8Very high98.8Very high57 Ų5731 Ų3122%0.21515%0.151CC..THydrogen-bonded Turntrans-114.8-8.4-179.1-65.5169.7174.8158.7-4.7114M18 Q27 M29 T44 D87 N94M18-R90 HydrophobicContact CE-CB 4.47Å; M18-R90 HydrophobicContact CE-CG 4.12Å; Q27-R90 VanDerWaalsContact OE1-CD 3.31Å; M29-R90 VanDerWaalsContact CE-NH1 3.3Å; T44-R90 PolarHBondContact OG1-NH1 3.16Å; T44-R90 PolarHBondContact OG1-NH2 3.44Å; D87-R90 HydrophobicContact CB-CB 4.34Å; D87-R90 PolarHBondContact OD1-N 2.65Å; D87-R90 WeakPolarHBondContact OD2-CD 3.09Å; D87-R90 IonicContact OD2-NH1 2.88Å; R90-N94 HydrophobicContact CB-CB 3.84Å; R90-N94 PolarHBondContact O-ND2 2.93Å
91K98.8Very high98.8Very high133 Ų13329.4 Ų29.458%0.57814%0.143SC*.  trans61.4171.8-175.5-55.7175.8-178.5173.20112.7D87 N94 Y185D87-K91 WeakPolarHBondContact O-CA 3.48Å; D87-K91 PolarHBondContact O-N 3.44Å; K91-N94 WeakPolarHBondContact O-CB 3.5Å; K91-N94 PolarHBondContact O-N 2.98Å; K91-N94 PolarHBondContact O-ND2 3.34Å; K91-Y185 WeakPolarHBondContact CA-OH 3.17Å
92D98.8Very high98.8Very high65 Ų6529.5 Ų29.535%0.34814%0.143SC..THydrogen-bonded Turntrans-58143.9170.2-63.8-37.2000110.6R86 Y185R86-D92 WeakPolarHBondContact CG-OD1 3.35Å; R86-D92 IonicContact CZ-OD1 3.65Å; R86-D92 IonicContact CZ-OD2 3.53Å; R86-D92 VanDerWaalsContact NE-CG 3.34Å; R86-D92 IonicContact NE-OD1 3.63Å; R86-D92 PolarHBondContact NE-OD1 3.49Å; R86-D92 IonicContact NE-OD2 2.97Å; R86-D92 PolarHBondContact NE-OD2 2.7Å; R86-D92 IonicContact NH2-OD1 3.19Å; R86-D92 IonicContact NH2-OD2 3.39Å; R86-D92 PolarHBondContact NH2-OD2 3.45Å; D92-Y185 VanDerWaalsContact CG-OH 3.27Å; D92-Y185 PolarHBondContact N-OH 3.49Å; D92-Y185 PolarHBondContact OD2-OH 2.65Å
93P98.8Very high98.8Very high34 Ų3431 Ų3122%0.22115%0.146CC..THydrogen-bonded Turncis-85.47.68.634.2-37.8000115.4V26 E50 K95V26-P93 HydrophobicContact CG1-CB 4.33Å; V26-P93 HydrophobicContact CG1-CG 4.37Å; V26-P93 WeakPolarHBondContact CG1-O 3.5Å; V26-P93 HydrophobicContact CG2-CB 3.96Å; V26-P93 HydrophobicContact CG2-CG 3.69Å; E50-P93 HydrophobicContact CB-CB 3.98Å; E50-P93 HydrophobicContact CG-CB 3.84Å; P93-K95 WeakPolarHBondContact O-CE 3.26Å; P93-K95 PolarHBondContact O-NZ 3.27Å
94N98.9Very high98.7Very high0 Ų036 Ų360%016%0.163CC..  trans-72.7154.3-170.7-49.5-65.4000113.3Q22 Q27 D87 R90 K91Q22-N94 PolarHBondContact NE2-OD1 3.11Å; Q22-N94 PolarHBondContact OE1-ND2 2.84Å; Q27-N94 HydrophobicContact CB-CB 4.22Å; Q27-N94 WeakPolarHBondContact CB-OD1 3.38Å; Q27-N94 PolarHBondContact N-OD1 3.39Å; Q27-N94 CarbonylContact O-C 3.52Å; Q27-N94 VanDerWaalsContact O-CA 3.31Å; Q27-N94 WeakPolarHBondContact O-CA 3.44Å; Q27-N94 WeakPolarHBondContact O-CB 3.42Å; D87-N94 HydrophobicContact CB-CB 4.01Å; D87-N94 PolarHBondContact N-O 3.15Å; R90-N94 HydrophobicContact CB-CB 3.84Å; R90-N94 PolarHBondContact O-ND2 2.93Å; K91-N94 WeakPolarHBondContact O-CB 3.5Å; K91-N94 PolarHBondContact O-N 2.98Å; K91-N94 PolarHBondContact O-ND2 3.34Å
95K98.9Very high98.6Very high14 Ų1437 Ų376%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-127.4143.8-169.4-53.3-60.8175.5-156.70112.9Q27 A28 M29 E50 P51 M84 F85 P93 V97Q27-K95 PolarHBondContact O-N 2.88Å; A28-K95 WeakPolarHBondContact CA-O 3.29Å; M29-K95 PolarHBondContact N-O 3.44Å; E50-K95 WeakPolarHBondContact OE1-CE 3.43Å; E50-K95 IonicContact OE1-NZ 2.81Å; E50-K95 PolarHBondContact OE1-NZ 2.94Å; P51-K95 HydrophobicContact CG-CG 3.81Å; M84-K95 HydrophobicContact CG-CB 4.06Å; M84-K95 HydrophobicContact CG-CD 4.11Å; M84-K95 HydrophobicContact CG-CG 4.21Å; M84-K95 HydrophobicContact SD-CB 4.06Å; M84-K95 HydrophobicContact SD-CD 3.8Å; M84-K95 HydrophobicContact SD-CG 3.69Å; F85-K95 CarbonylContact O-C 3.51Å; F85-K95 WeakPolarHBondContact O-CA 3.23Å; P93-K95 WeakPolarHBondContact O-CE 3.26Å; P93-K95 PolarHBondContact O-NZ 3.27Å; K95-V97 HydrophobicContact CB-CG2 4.32Å
96L98.9Very high98.4Very high0 Ų041.4 Ų41.40%019%0.189CC..EExtended strand (participates in β ladder)trans-93.7135156.9-55.7-175.6000108.3M29 I31 M84 F85 D87 V220 F223 I224M29-L96 HydrophobicContact CB-CD2 3.98Å; M29-L96 HydrophobicContact CG-CD2 4.45Å; M29-L96 HydrophobicContact SD-CD2 4.07Å; I31-L96 HydrophobicContact CD1-CB 3.88Å; I31-L96 HydrophobicContact CD1-CD1 4.31Å; I31-L96 HydrophobicContact CD1-CD2 4.28Å; I31-L96 HydrophobicContact CD1-CG 4.37Å; M84-L96 CarbonylContact C-O 3.42Å; M84-L96 WeakPolarHBondContact CA-O 3.48Å; F85-L96 HydrophobicContact CB-CB 4.31Å; F85-L96 PolarHBondContact N-O 3.23Å; F85-L96 PolarHBondContact O-N 2.75Å; D87-L96 HydrophobicContact CB-CD2 3.99Å; D87-L96 HydrophobicContact CB-CG 4.19Å; D87-L96 WeakPolarHBondContact OD2-CD2 3.24Å; L96-V220 HydrophobicContact CD1-CG1 4.33Å; L96-F223 HydrophobicContact CD1-CD1 4.29Å; L96-F223 HydrophobicContact CD1-CE1 4.42Å; L96-F223 HydrophobicContact CD2-CE1 4.23Å; L96-I224 HydrophobicContact CD1-CD1 4.33Å; L96-I224 HydrophobicContact CD1-CG1 4.11Å
97V98.9Very high98.3Very high0 Ų043.6 Ų43.60%020%0.202CC..EExtended strand (participates in β ladder)trans-127.5102.4-178-176.80000108.2A28 M29 Y30 I31 L57 P81 K95 C99A28-V97 HydrophobicContact CB-CG2 4.25Å; M29-V97 PolarHBondContact O-N 3.42Å; Y30-V97 CarbonylContact C-O 3.59Å; Y30-V97 VanDerWaalsContact CA-O 3.32Å; Y30-V97 WeakPolarHBondContact CA-O 3.48Å; Y30-V97 HydrophobicContact CD1-CG1 4.36Å; Y30-V97 HydrophobicContact CD2-CB 4.33Å; Y30-V97 HydrophobicContact CE1-CG1 4.31Å; Y30-V97 HydrophobicContact CE2-CG2 4.4Å; Y30-V97 HydrophobicContact CG-CB 4.37Å; I31-V97 PolarHBondContact N-O 2.92Å; L57-V97 HydrophobicContact CD1-CB 4.33Å; L57-V97 HydrophobicContact CD1-CG1 3.71Å; L57-V97 HydrophobicContact CD1-CG2 3.62Å; L57-V97 HydrophobicContact CD2-CG2 3.92Å; L57-V97 HydrophobicContact CG-CG2 4.43Å; P81-V97 HydrophobicContact CB-CG1 3.8Å; P81-V97 HydrophobicContact CG-CG1 4.23Å; K95-V97 HydrophobicContact CB-CG2 4.32Å; V97-C99 PolarHBondContact O-SG 3.11Å; V97-C99 VanDerWaalsContact O-SG 3.4Å
98F98.9Very high98.3Very high4 Ų445.6 Ų45.62%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-79.7136.6173.7-171.3-107.1000109.3I31 I33 L40 A82 V83 W219 V220 Y349I31-F98 HydrophobicContact CB-CD2 4.14Å; I31-F98 HydrophobicContact CG2-CD2 3.89Å; I31-F98 HydrophobicContact CG2-CE2 4.32Å; I33-F98 HydrophobicContact CD1-CZ 4.05Å; I33-F98 HydrophobicContact CG1-CE2 4.31Å; I33-F98 HydrophobicContact CG1-CZ 4Å; L40-F98 HydrophobicContact CD2-CE2 4.1Å; A82-F98 WeakPolarHBondContact CA-O 3.46Å; A82-F98 WeakPolarHBondContact CB-O 3.47Å; A82-F98 PolarHBondContact N-O 3.05Å; V83-F98 HydrophobicContact CG1-CB 3.65Å; V83-F98 HydrophobicContact CG1-CD1 4.29Å; V83-F98 HydrophobicContact CG1-CG 4.42Å; V83-F98 PolarHBondContact N-O 3.08Å; V83-F98 PolarHBondContact O-N 2.73Å; F98-W219 HydrophobicContact CE1-CB 4.38Å; F98-W219 HydrophobicContact CE2-CB 3.84Å; F98-W219 HydrophobicContact CE2-CG 4.35Å; F98-W219 HydrophobicContact CZ-CB 3.76Å; F98-W219 AromaticContact CZ-CG 3.94Å; F98-W219 HydrophobicContact CZ-CG 3.94Å; F98-V220 HydrophobicContact CB-CG2 3.78Å; F98-V220 HydrophobicContact CD2-CG2 4.29Å; F98-V220 HydrophobicContact CG-CG2 4.13Å; F98-Y349 HydrophobicContact CE1-CE2 4.12Å; F98-Y349 WeakPolarHBondContact CE1-OH 3.35Å; F98-Y349 HydrophobicContact CZ-CE2 4.43Å
99C98.9Very high98.3Very high4 Ų444.4 Ų44.43%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-125.4145.7-167.8-59.60000112.3Y30 I31 L79 I80 V97Y30-C99 WeakPolarHBondContact CD1-SG 3.34Å; I31-C99 PolarHBondContact O-N 3.46Å; L79-C99 HydrophobicContact CB-CB 4.04Å; L79-C99 HydrophobicContact CD2-CB 4.05Å; I80-C99 CarbonylContact O-C 3.59Å; I80-C99 VanDerWaalsContact O-CA 3.25Å; I80-C99 WeakPolarHBondContact O-CA 3.08Å; V97-C99 PolarHBondContact O-SG 3.11Å; V97-C99 VanDerWaalsContact O-SG 3.4Å
100E98.8Very high98.2Very high23 Ų2348.7 Ų48.711%0.10723%0.228CC..EExtended strand (participates in β ladder)trans-76.6152.5158.2-74.1-174.3-153.800110.5L79 I80 A82 N112 R114L79-E100 WeakPolarHBondContact CA-O 3.43Å; I80-E100 HydrophobicContact CB-CB 4.37Å; I80-E100 PolarHBondContact N-O 3.05Å; I80-E100 PolarHBondContact O-N 3.13Å; A82-E100 HydrophobicContact CB-CG 4.36Å; E100-N112 PolarHBondContact OE2-ND2 3.13Å; E100-R114 HydrophobicContact CG-CB 4.26Å; E100-R114 HydrophobicContact CG-CG 4.3Å; E100-R114 IonicContact OE1-CZ 2.73Å; E100-R114 IonicContact OE1-NH1 2.65Å; E100-R114 PolarHBondContact OE1-NH1 2.84Å
101V98.8Very high98.2Very high6 Ų647 Ų474%0.03622%0.224CC..EExtended strand (participates in β ladder)trans-110.7125.6177-175.60000110W32 F62 M77 Y78 L79 A109 N112W32-V101 HydrophobicContact CB-CG2 3.78Å; W32-V101 HydrophobicContact CG-CG2 4.08Å; F62-V101 HydrophobicContact CE1-CG1 3.87Å; F62-V101 HydrophobicContact CE1-CG2 4.44Å; F62-V101 HydrophobicContact CZ-CG1 3.73Å; F62-V101 HydrophobicContact CZ-CG2 4.46Å; M77-V101 HydrophobicContact CB-CG1 4.35Å; M77-V101 HydrophobicContact CE-CG1 3.62Å; M77-V101 HydrophobicContact SD-CG1 4.18Å; Y78-V101 WeakPolarHBondContact O-CA 3.37Å; L79-V101 HydrophobicContact CD2-CG2 4.18Å; V101-A109 HydrophobicContact CB-CB 3.97Å; V101-A109 HydrophobicContact CG1-CB 3.75Å; V101-A109 PolarHBondContact O-N 3.17Å; V101-N112 WeakPolarHBondContact O-CB 3.46Å; V101-N112 PolarHBondContact O-ND2 3.36Å
102L98.6Very high98.2Very high19 Ų1941.5 Ų41.510%0.09920%0.201CC..EExtended strand (participates in β ladder)trans-116.6149.5171.1-51.7-178.8000110.5M77 Y78 I80 K107M77-L102 CarbonylContact C-O 3.27Å; M77-L102 WeakPolarHBondContact CA-O 3.35Å; M77-L102 WeakPolarHBondContact CB-O 3.32Å; Y78-L102 PolarHBondContact N-O 3.44Å; Y78-L102 PolarHBondContact O-N 3.49Å; I80-L102 HydrophobicContact CD1-CD1 4.03Å; I80-L102 HydrophobicContact CG1-CD1 3.63Å; I80-L102 HydrophobicContact CG1-CG 3.85Å; L102-K107 CarbonylContact C-O 3.41Å; L102-K107 WeakPolarHBondContact CA-O 3.43Å
103K98.3Very high98.2Very high51 Ų5140.6 Ų40.622%0.22220%0.195CC..  trans-75.9171.9173.2-59.5-177.3179.7-168.60111.1M77 Y78 N105 H106 K107 P108 E110M77-K103 HydrophobicContact CE-CG 3.92Å; Y78-K103 WeakPolarHBondContact CD2-O 3.48Å; K103-N105 PolarHBondContact O-N 3.39Å; K103-H106 WeakPolarHBondContact O-CA 3.29Å; K103-H106 PolarHBondContact O-N 3.34Å; K103-K107 PolarHBondContact N-O 3.34Å; K103-P108 WeakPolarHBondContact CE-O 3.42Å; K103-E110 WeakPolarHBondContact CE-OE2 3.49Å; K103-E110 IonicContact NZ-OE1 3.36Å; K103-E110 PolarHBondContact NZ-OE1 3.21Å; K103-E110 IonicContact NZ-OE2 2.87Å; K103-E110 PolarHBondContact NZ-OE2 3.36Å
104Y96.1Very high98.2Very high128 Ų12839.7 Ų39.750%0.50219%0.188SC..THydrogen-bonded Turntrans-50-28.9174.777.8-87.6000114.7N74N74-Y104 WeakPolarHBondContact ND2-CD1 3.23Å; N74-Y104 WeakPolarHBondContact ND2-CD2 3.49Å; N74-Y104 WeakPolarHBondContact ND2-CE1 3.46Å; N74-Y104 VanDerWaalsContact ND2-CG 3.27Å
105N96.3Very high98.1Very high65 Ų6543.6 Ų43.635%0.34821%0.206SC..THydrogen-bonded Turntrans-9516.7179.264.110.1000113.6K103 K107K103-N105 PolarHBondContact O-N 3.39Å; N105-K107 PolarHBondContact O-N 2.8Å; N105-K107 VanDerWaalsContact O-N 3.07Å; N105-K107 VanDerWaalsContact OD1-CB 3.26Å; N105-K107 WeakPolarHBondContact OD1-CB 3.26Å; N105-K107 WeakPolarHBondContact OD1-CG 3.47Å; N105-K107 PolarHBondContact OD1-N 2.84Å; N105-K107 VanDerWaalsContact OD1-N 3.12Å
106H95.9Very high98Very high106 Ų10645.1 Ų45.149%0.49122%0.219SC..SBendtrans58.613-176.8-65.9-88.6000115.6Y78 K103Y78-H106 AromaticContact CE2-CE1 3.82Å; Y78-H106 AromaticContact CE2-NE2 3.8Å; K103-H106 WeakPolarHBondContact O-CA 3.29Å; K103-H106 PolarHBondContact O-N 3.34Å
107K97.1Very high98Very high137 Ų13745.1 Ų45.160%0.59622%0.219SC*.PPolyproline II helixtrans-78.9151.8167.1-63.5-173.9177.4-175.80110.2L102 K103 N105L102-K107 CarbonylContact C-O 3.41Å; L102-K107 WeakPolarHBondContact CA-O 3.43Å; K103-K107 PolarHBondContact N-O 3.34Å; N105-K107 PolarHBondContact O-N 2.8Å; N105-K107 VanDerWaalsContact O-N 3.07Å; N105-K107 VanDerWaalsContact OD1-CB 3.26Å; N105-K107 WeakPolarHBondContact OD1-CB 3.26Å; N105-K107 WeakPolarHBondContact OD1-CG 3.47Å; N105-K107 PolarHBondContact OD1-N 2.84Å; N105-K107 VanDerWaalsContact OD1-N 3.12Å
108P97.8Very high98Very high41 Ų4150.5 Ų50.527%0.26624%0.242SC..BIsolated β-bridgetrans-55.9145173.9-22.632.9000112.3K103 N112 Q115K103-P108 WeakPolarHBondContact CE-O 3.42Å; P108-N112 HydrophobicContact CB-CB 4.03Å; P108-Q115 VanDerWaalsContact CG-CD 3.44Å
109A98.3Very high97.9Very high4 Ų453.4 Ų53.43%0.03326%0.255CS..PPolyproline II helixtrans-63.3157161.200000110.6M77 V101 T111 N112M77-A109 HydrophobicContact CE-CB 3.75Å; V101-A109 HydrophobicContact CB-CB 3.97Å; V101-A109 HydrophobicContact CG1-CB 3.75Å; V101-A109 PolarHBondContact O-N 3.17Å; A109-T111 PolarHBondContact O-N 3.02Å; A109-N112 HydrophobicContact CB-CB 4.34Å; A109-N112 WeakPolarHBondContact O-CB 3.22Å; A109-N112 PolarHBondContact O-N 3.45Å
110E97.9Very high97.9Very high131 Ų13153.2 Ų53.261%0.61225%0.254SS*.THydrogen-bonded Turntrans-53.8-39.1177.6-76.173-171.400112.2K103K103-E110 WeakPolarHBondContact CE-OE2 3.49Å; K103-E110 IonicContact NZ-OE1 3.36Å; K103-E110 PolarHBondContact NZ-OE1 3.21Å; K103-E110 IonicContact NZ-OE2 2.87Å; K103-E110 PolarHBondContact NZ-OE2 3.36Å
111T98.3Very high97.9Very high22 Ų2252.7 Ų52.714%0.13525%0.252CS..THydrogen-bonded Turntrans-90.13.9-179.955.10000113.4D34 A109 L113D34-T111 WeakPolarHBondContact O-CB 3.45Å; D34-T111 WeakPolarHBondContact O-CG2 3.36Å; D34-T111 PolarHBondContact O-OG1 3.1Å; A109-T111 PolarHBondContact O-N 3.02Å; T111-L113 PolarHBondContact O-N 3.41Å
112N98.6Very high97.9Very high17 Ų1754.7 Ų54.79%0.09127%0.274CS..  trans-81.871.6171.4-177.21.8000110.3E100 V101 P108 A109 R114 Q115E100-N112 PolarHBondContact OE2-ND2 3.13Å; V101-N112 WeakPolarHBondContact O-CB 3.46Å; V101-N112 PolarHBondContact O-ND2 3.36Å; P108-N112 HydrophobicContact CB-CB 4.03Å; A109-N112 HydrophobicContact CB-CB 4.34Å; A109-N112 WeakPolarHBondContact O-CB 3.22Å; A109-N112 PolarHBondContact O-N 3.45Å; N112-R114 VanDerWaalsContact C-N 3.26Å; N112-Q115 PolarHBondContact OD1-N 2.93Å
113L98.6Very high97.9Very high46 Ų4657 Ų5724%0.24129%0.285CS..Hα-helixtrans-75.6-18176.9-56.4-173.2000112.5T111 Q115 S116 C117 D347 M350T111-L113 PolarHBondContact O-N 3.41Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 2.89Å; L113-S116 PolarHBondContact O-N 2.98Å; L113-C117 WeakPolarHBondContact O-CB 3.21Å; L113-C117 PolarHBondContact O-N 3.44Å; L113-C117 VanDerWaalsContact O-N 3.15Å; L113-D347 HydrophobicContact CD1-CB 4.17Å; L113-M350 HydrophobicContact CD1-CB 3.91Å; L113-M350 HydrophobicContact CD1-CE 3.75Å; L113-M350 HydrophobicContact CD1-CG 4.27Å; L113-M350 HydrophobicContact CD1-SD 4.18Å
114R98.7Very high97.9Very high15 Ų1554.7 Ų54.76%0.05728%0.275CS..Hα-helixtrans-57.1-40.1176.6-173.3177.3-172.3-95.98.3112.2E100 N112 C117 K118 I212 D216 Y349E100-R114 HydrophobicContact CG-CB 4.26Å; E100-R114 HydrophobicContact CG-CG 4.3Å; E100-R114 IonicContact OE1-CZ 2.73Å; E100-R114 IonicContact OE1-NH1 2.65Å; E100-R114 PolarHBondContact OE1-NH1 2.84Å; N112-R114 VanDerWaalsContact C-N 3.26Å; R114-C117 PolarHBondContact O-N 3.36Å; R114-K118 VanDerWaalsContact O-CB 3.26Å; R114-K118 WeakPolarHBondContact O-CB 3.18Å; R114-K118 PolarHBondContact O-N 2.92Å; R114-I212 HydrophobicContact CG-CD1 3.97Å; R114-I212 HydrophobicContact CG-CG1 4.33Å; R114-D216 IonicContact CZ-OD1 3.52Å; R114-D216 IonicContact CZ-OD2 3.16Å; R114-D216 IonicContact NE-OD1 2.98Å; R114-D216 PolarHBondContact NE-OD1 3.27Å; R114-D216 IonicContact NE-OD2 3.89Å; R114-D216 IonicContact NH2-OD1 2.7Å; R114-D216 PolarHBondContact NH2-OD1 3.08Å; R114-D216 IonicContact NH2-OD2 3.22Å; R114-D216 PolarHBondContact NH2-OD2 3.01Å; R114-Y349 HydrophobicContact CB-CD1 4.17Å; R114-Y349 HydrophobicContact CB-CD2 3.94Å; R114-Y349 HydrophobicContact CB-CE1 4.03Å; R114-Y349 HydrophobicContact CB-CE2 3.78Å; R114-Y349 HydrophobicContact CB-CG 4.14Å; R114-Y349 HydrophobicContact CG-CD1 4.1Å; R114-Y349 HydrophobicContact CG-CE1 3.63Å; R114-Y349 HydrophobicContact CG-CE2 4.17Å
115Q97.4Very high97.9Very high83 Ų8354.8 Ų54.839%0.38828%0.28SS..Hα-helixtrans-63.1-48-175.1-168.1-172.272.600112.3P108 N112 L113 K118 Q119P108-Q115 VanDerWaalsContact CG-CD 3.44Å; N112-Q115 PolarHBondContact OD1-N 2.93Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 2.89Å; Q115-K118 PolarHBondContact O-N 3.46Å; Q115-Q119 PolarHBondContact O-N 3.26Å
116S97.3Very high98.1Very high46 Ų4657 Ų5732%0.32229%0.288SS..Hα-helixtrans-63.2-46.4176.2-176.20000110.5L113 K118 Q119 I120 E353L113-S116 PolarHBondContact O-N 2.98Å; S116-K118 VanDerWaalsContact C-N 3.33Å; S116-K118 PolarHBondContact O-N 2.75Å; S116-Q119 WeakPolarHBondContact O-CB 3.45Å; S116-Q119 PolarHBondContact O-N 3.19Å; S116-Q119 VanDerWaalsContact O-N 3.1Å; S116-I120 WeakPolarHBondContact O-CG1 3.48Å; S116-I120 PolarHBondContact O-N 2.9Å; S116-E353 WeakPolarHBondContact CB-OE2 3.44Å; S116-E353 PolarHBondContact OG-OE1 2.98Å; S116-E353 PolarHBondContact OG-OE2 3.32Å
117C98.6Very high98.2Very high0 Ų054.2 Ų54.20%028%0.275CS..Hα-helixtrans-58.7-45.1179.9-176.50000111.2L113 R114 Q119 I120 M121 I212 Y349 E353L113-C117 WeakPolarHBondContact O-CB 3.21Å; L113-C117 PolarHBondContact O-N 3.44Å; L113-C117 VanDerWaalsContact O-N 3.15Å; R114-C117 PolarHBondContact O-N 3.36Å; C117-Q119 VanDerWaalsContact C-N 3.32Å; C117-Q119 PolarHBondContact O-N 3.37Å; C117-I120 PolarHBondContact O-N 2.9Å; C117-I120 VanDerWaalsContact O-N 3.17Å; C117-M121 WeakPolarHBondContact O-CB 3.39Å; C117-M121 VanDerWaalsContact O-CG 3.23Å; C117-M121 WeakPolarHBondContact O-CG 3.45Å; C117-M121 PolarHBondContact O-N 3.17Å; C117-I212 HydrophobicContact CB-CD1 4.01Å; C117-Y349 HydrophobicContact CB-CD1 4.31Å; C117-Y349 PolarHBondContact SG-O 3.38Å; C117-Y349 VanDerWaalsContact SG-O 3.37Å; C117-E353 WeakPolarHBondContact CA-OE2 3.5Å; C117-E353 HydrophobicContact CB-CB 4.1Å; C117-E353 PolarHBondContact N-OE2 2.7Å
118K98.5Very high98.2Very high113 Ų11351.1 Ų51.149%0.49126%0.263SS..Hα-helixtrans-59-41.6177.1-176.4177.3177.7179.90112.1R114 Q115 S116 G122 I212R114-K118 VanDerWaalsContact O-CB 3.26Å; R114-K118 WeakPolarHBondContact O-CB 3.18Å; R114-K118 PolarHBondContact O-N 2.92Å; Q115-K118 PolarHBondContact O-N 3.46Å; S116-K118 VanDerWaalsContact C-N 3.33Å; S116-K118 PolarHBondContact O-N 2.75Å; K118-G122 PolarHBondContact O-N 2.92Å; K118-G122 VanDerWaalsContact O-N 3.1Å; K118-I212 HydrophobicContact CB-CD1 3.89Å; K118-I212 HydrophobicContact CB-CG1 4.06Å; K118-I212 HydrophobicContact CG-CG1 4.39Å
119Q97.9Very high98.3Very high64 Ų6449.3 Ų49.330%0.29925%0.251SS..Hα-helixtrans-62.5-48.2175.5176175.7-20.300111.2Q115 S116 C117 G122 M123 Y371Q115-Q119 PolarHBondContact O-N 3.26Å; S116-Q119 WeakPolarHBondContact O-CB 3.45Å; S116-Q119 PolarHBondContact O-N 3.19Å; S116-Q119 VanDerWaalsContact O-N 3.1Å; C117-Q119 VanDerWaalsContact C-N 3.32Å; C117-Q119 PolarHBondContact O-N 3.37Å; Q119-G122 PolarHBondContact O-N 2.86Å; Q119-M123 WeakPolarHBondContact O-CG 3.32Å; Q119-M123 PolarHBondContact O-N 3.45Å; Q119-Y371 PolarHBondContact NE2-O 3.49Å
120I98.5Very high98.3Very high1 Ų153.6 Ų53.61%0.00527%0.267CS..Hα-helixtrans-64.2-42.1-179.3-65.9-60.1000111.8S116 C117 G122 M123 E353 V356 R357 L361 Y371S116-I120 WeakPolarHBondContact O-CG1 3.48Å; S116-I120 PolarHBondContact O-N 2.9Å; C117-I120 PolarHBondContact O-N 2.9Å; C117-I120 VanDerWaalsContact O-N 3.17Å; I120-G122 VanDerWaalsContact C-N 3.29Å; I120-G122 PolarHBondContact O-N 3.08Å; I120-M123 HydrophobicContact CD1-SD 3.94Å; I120-M123 WeakPolarHBondContact O-CB 3.36Å; I120-M123 PolarHBondContact O-N 3.36Å; I120-M123 VanDerWaalsContact O-N 3.14Å; I120-E353 HydrophobicContact CB-CG 4.12Å; I120-E353 HydrophobicContact CG1-CG 3.97Å; I120-E353 HydrophobicContact CG2-CG 4.18Å; I120-V356 HydrophobicContact CG2-CB 4.01Å; I120-V356 HydrophobicContact CG2-CG1 3.49Å; I120-V356 VanDerWaalsContact CG2-CG1 3.49Å; I120-R357 VanDerWaalsContact CD1-CZ 3.46Å; I120-R357 HydrophobicContact CG2-CG 4.11Å; I120-L361 HydrophobicContact CD1-CD1 3.95Å; I120-L361 HydrophobicContact CG2-CD1 4.11Å; I120-Y371 HydrophobicContact CD1-CD2 3.78Å; I120-Y371 HydrophobicContact CD1-CE2 3.95Å
121M98.6Very high98.4Very high11 Ų1147.5 Ų47.55%0.05424%0.238CC..Hα-helixtrans-60.7-38.8175-67.2-62.7171.300111.8C117 M123 V124 E125 P129 F131 G211 V356C117-M121 WeakPolarHBondContact O-CB 3.39Å; C117-M121 VanDerWaalsContact O-CG 3.23Å; C117-M121 WeakPolarHBondContact O-CG 3.45Å; C117-M121 PolarHBondContact O-N 3.17Å; M121-M123 VanDerWaalsContact C-N 3.3Å; M121-M123 PolarHBondContact O-N 2.85Å; M121-V124 WeakPolarHBondContact O-CG2 3.34Å; M121-V124 PolarHBondContact O-N 2.86Å; M121-E125 PolarHBondContact O-N 3.3Å; M121-P129 HydrophobicContact SD-CG 4.28Å; M121-F131 HydrophobicContact CE-CE2 3.69Å; M121-F131 HydrophobicContact CE-CZ 3.76Å; M121-F131 HydrophobicContact SD-CE2 4.03Å; M121-F131 HydrophobicContact SD-CZ 4.37Å; M121-G211 VanDerWaalsContact SD-CA 3.59Å; M121-V356 HydrophobicContact CE-CG2 3.73Å; M121-V356 HydrophobicContact SD-CG2 3.75Å
122G98.3Very high98.4Very high48 Ų4847 Ų4750%0.49524%0.238SC..Hα-helixtrans-65.5-28.1175.700000114.1K118 Q119 I120 V124K118-G122 PolarHBondContact O-N 2.92Å; K118-G122 VanDerWaalsContact O-N 3.1Å; Q119-G122 PolarHBondContact O-N 2.86Å; I120-G122 VanDerWaalsContact C-N 3.29Å; I120-G122 PolarHBondContact O-N 3.08Å; G122-V124 VanDerWaalsContact C-N 3.25Å; G122-V124 PolarHBondContact O-N 3.03Å
123M98.3Very high98.4Very high69 Ų6946.2 Ų46.234%0.3423%0.233SC..Hα-helixtrans-72.7-18.2176.9-66.9172.460.800113.5Q119 I120 M121 Q126 L361 Y371Q119-M123 WeakPolarHBondContact O-CG 3.32Å; Q119-M123 PolarHBondContact O-N 3.45Å; I120-M123 HydrophobicContact CD1-SD 3.94Å; I120-M123 WeakPolarHBondContact O-CB 3.36Å; I120-M123 PolarHBondContact O-N 3.36Å; I120-M123 VanDerWaalsContact O-N 3.14Å; M121-M123 VanDerWaalsContact C-N 3.3Å; M121-M123 PolarHBondContact O-N 2.85Å; M123-Q126 PolarHBondContact O-NE2 2.85Å; M123-Q126 PolarHBondContact O-OE1 3.08Å; M123-L361 HydrophobicContact CE-CD1 4.21Å; M123-L361 HydrophobicContact CE-CD2 4.25Å; M123-Y371 HydrophobicContact CE-CD1 3.7Å; M123-Y371 HydrophobicContact CE-CD2 4.03Å; M123-Y371 HydrophobicContact CE-CE1 3.93Å; M123-Y371 HydrophobicContact CE-CE2 4.23Å; M123-Y371 HydrophobicContact CE-CG 3.75Å; M123-Y371 HydrophobicContact SD-CD2 4.13Å; M123-Y371 HydrophobicContact SD-CG 4.11Å
124V98.3Very high98.4Very high2 Ų245.5 Ų45.51%0.01223%0.229CC..THydrogen-bonded Turntrans-122.316.3-174.8-59.50000113M121 G122 Q126 H127 P129 V356 L360 L361M121-V124 WeakPolarHBondContact O-CG2 3.34Å; M121-V124 PolarHBondContact O-N 2.86Å; G122-V124 VanDerWaalsContact C-N 3.25Å; G122-V124 PolarHBondContact O-N 3.03Å; V124-Q126 PolarHBondContact O-N 3.12Å; V124-Q126 VanDerWaalsContact O-N 3.12Å; V124-H127 WeakPolarHBondContact O-CB 3.41Å; V124-H127 PolarHBondContact O-N 3.16Å; V124-P129 HydrophobicContact CG2-CG 4.13Å; V124-V356 HydrophobicContact CB-CG1 4.25Å; V124-V356 HydrophobicContact CG1-CG1 3.83Å; V124-V356 HydrophobicContact CG2-CG1 3.49Å; V124-V356 VanDerWaalsContact CG2-CG1 3.49Å; V124-V356 HydrophobicContact CG2-CG2 4.44Å; V124-L360 HydrophobicContact CB-CD1 3.97Å; V124-L360 HydrophobicContact CG1-CB 3.96Å; V124-L360 HydrophobicContact CG1-CD1 4.25Å; V124-L360 HydrophobicContact CG2-CD1 4.03Å; V124-L361 HydrophobicContact CG1-CD2 3.56Å; V124-L361 HydrophobicContact CG1-CG 4.2Å
125E97.9Very high98.5Very high129 Ų12944.8 Ų44.860%0.60323%0.226SC*.G310 helixtrans-53.3-36.8-175.9-173.1177-169.300112.2M121 H127 H128M121-E125 PolarHBondContact O-N 3.3Å; E125-H127 PolarHBondContact O-N 3.22Å; E125-H127 VanDerWaalsContact O-N 3.09Å; E125-H128 PolarHBondContact O-N 3.1Å
126Q98.4Very high98.5Very high112 Ų11241.5 Ų41.552%0.52321%0.211SC..G310 helixtrans-58.7-23.4177.170.3-78.3-0.400114.6M123 V124M123-Q126 PolarHBondContact O-NE2 2.85Å; M123-Q126 PolarHBondContact O-OE1 3.08Å; V124-Q126 PolarHBondContact O-N 3.12Å; V124-Q126 VanDerWaalsContact O-N 3.12Å
127H98.6Very high98.6Very high48 Ų4839.4 Ų39.422%0.22220%0.196CC..G310 helixtrans-87-7.8178.8-64.2-66.7000112.6V124 E125 T258 K259 E260 L360V124-H127 WeakPolarHBondContact O-CB 3.41Å; V124-H127 PolarHBondContact O-N 3.16Å; E125-H127 PolarHBondContact O-N 3.22Å; E125-H127 VanDerWaalsContact O-N 3.09Å; H127-T258 HydrophobicContact CB-CG2 4.21Å; H127-T258 WeakPolarHBondContact O-CB 3.39Å; H127-K259 PolarHBondContact O-N 2.92Å; H127-E260 IonicContact CE1-OE1 3.76Å; H127-E260 IonicContact CG-OE1 2.65Å; H127-E260 IonicContact ND1-OE1 3.07Å; H127-E260 PolarHBondContact ND1-OE1 3.37Å; H127-E260 IonicContact ND1-OE2 2.74Å; H127-L360 HydrophobicContact CB-CD1 4.16Å
128H98.6Very high98.6Very high71 Ų7139.4 Ų39.433%0.32920%0.196SC..  trans44.861.2-177.6-61.4-73.5000112.9E125 W130 E210 K259 R262E125-H128 PolarHBondContact O-N 3.1Å; H128-W130 PolarHBondContact O-N 2.67Å; H128-E210 IonicContact CE1-OE1 3.9Å; H128-E210 IonicContact CG-OE1 3.94Å; H128-E210 IonicContact ND1-OE1 3.43Å; H128-E210 PolarHBondContact ND1-OE1 2.95Å; H128-E210 IonicContact ND1-OE2 3.51Å; H128-K259 HydrophobicContact CB-CB 4.47Å; H128-R262 PolarHBondContact O-NH1 2.99Å; H128-R262 PolarHBondContact O-NH2 3.29Å
129P98.8Very high98.6Very high3 Ų334 Ų342%0.01917%0.172CC..  trans-65.4120.2-177.828.1-34.4000110.3M121 V124 F131 E210 G211 F256 S257 L360M121-P129 HydrophobicContact SD-CG 4.28Å; V124-P129 HydrophobicContact CG2-CG 4.13Å; P129-F131 HydrophobicContact CB-CE2 3.96Å; P129-F131 HydrophobicContact CB-CZ 4.16Å; P129-E210 WeakPolarHBondContact O-CA 3.45Å; P129-G211 PolarHBondContact O-N 3.28Å; P129-F256 HydrophobicContact CB-CE2 3.82Å; P129-S257 WeakPolarHBondContact CA-O 3.34Å; P129-L360 HydrophobicContact CB-CD1 4.44Å
130W98.9Very high98.7Very high95 Ų9531.9 Ų31.936%0.3616%0.163SC..EExtended strand (participates in β ladder)trans-108.3138.1176.2-71.3-1.4000110.7H128 P208 C209 E210 F256 S257 R262H128-W130 PolarHBondContact O-N 2.67Å; W130-P208 HydrophobicContact CB-CB 4.45Å; W130-P208 HydrophobicContact CD2-CB 4.47Å; W130-P208 HydrophobicContact CE3-CB 4.19Å; W130-C209 WeakPolarHBondContact CA-O 3.48Å; W130-E210 PolarHBondContact NE1-OE2 2.84Å; W130-F256 WeakPolarHBondContact O-CA 3.49Å; W130-S257 PolarHBondContact N-O 3.2Å; W130-S257 PolarHBondContact O-N 3.06Å; W130-R262 VanDerWaalsContact CD2-CZ 3.44Å
131F98.9Very high98.6Very high2 Ų232 Ų321%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-124.1147178.1-57.1-84.2000110.8M121 P129 P208 C209 M214 T254 N255 F256 T352 L355 V356M121-F131 HydrophobicContact CE-CE2 3.69Å; M121-F131 HydrophobicContact CE-CZ 3.76Å; M121-F131 HydrophobicContact SD-CE2 4.03Å; M121-F131 HydrophobicContact SD-CZ 4.37Å; P129-F131 HydrophobicContact CB-CE2 3.96Å; P129-F131 HydrophobicContact CB-CZ 4.16Å; F131-P208 CarbonylContact O-C 3.55Å; F131-P208 VanDerWaalsContact O-CA 3.27Å; F131-P208 WeakPolarHBondContact O-CA 3.47Å; F131-C209 PolarHBondContact N-O 3.17Å; F131-C209 PolarHBondContact O-N 3.06Å; F131-M214 HydrophobicContact CB-CB 3.84Å; F131-M214 HydrophobicContact CB-CG 3.46Å; F131-M214 VanDerWaalsContact CB-CG 3.46Å; F131-M214 HydrophobicContact CB-SD 3.6Å; F131-M214 VanDerWaalsContact CB-SD 3.6Å; F131-M214 HydrophobicContact CD2-CB 4.16Å; F131-M214 HydrophobicContact CG-CB 4.28Å; F131-M214 HydrophobicContact CG-CG 4.21Å; F131-T254 HydrophobicContact CD1-CG2 4.23Å; F131-N255 CarbonylContact C-O 3.42Å; F131-N255 VanDerWaalsContact CA-O 3.23Å; F131-N255 WeakPolarHBondContact CA-O 3.47Å; F131-F256 HydrophobicContact CD1-CB 4.33Å; F131-F256 AromaticContact CD1-CD2 3.58Å; F131-F256 HydrophobicContact CD1-CD2 3.58Å; F131-F256 HydrophobicContact CD1-CE2 4.35Å; F131-F256 HydrophobicContact CD1-CG 4.31Å; F131-F256 HydrophobicContact CE1-CB 4.44Å; F131-F256 AromaticContact CE1-CD2 3.15Å; F131-F256 HydrophobicContact CE1-CD2 3.15Å; F131-F256 AromaticContact CE1-CE2 3.55Å; F131-F256 HydrophobicContact CE1-CE2 3.55Å; F131-F256 AromaticContact CE1-CG 3.98Å; F131-F256 HydrophobicContact CE1-CG 3.98Å; F131-F256 HydrophobicContact CE2-CE2 4.43Å; F131-F256 HydrophobicContact CG-CD2 4.42Å; F131-F256 AromaticContact CZ-CD2 3.68Å; F131-F256 HydrophobicContact CZ-CD2 3.68Å; F131-F256 AromaticContact CZ-CE2 3.58Å; F131-F256 HydrophobicContact CZ-CE2 3.58Å; F131-T352 HydrophobicContact CB-CG2 4.39Å; F131-T352 HydrophobicContact CD1-CG2 3.68Å; F131-T352 HydrophobicContact CD2-CG2 4.12Å; F131-T352 HydrophobicContact CE1-CG2 3.9Å; F131-T352 HydrophobicContact CE2-CG2 4.33Å; F131-T352 HydrophobicContact CG-CG2 3.8Å; F131-T352 HydrophobicContact CZ-CG2 4.23Å; F131-L355 HydrophobicContact CD1-CD1 4.34Å; F131-L355 HydrophobicContact CE1-CB 4.28Å; F131-L355 HydrophobicContact CE1-CD1 4.06Å; F131-V356 HydrophobicContact CZ-CG2 3.81Å
132G98.9Very high98.6Very high13 Ų1335 Ų3513%0.13418%0.183CC..EExtended strand (participates in β ladder)trans-136.2127.4163.800000109.6V206 N255G132-V206 CarbonylContact C-O 3.49Å; G132-V206 WeakPolarHBondContact CA-O 3.33Å; G132-N255 PolarHBondContact N-O 2.87Å; G132-N255 WeakPolarHBondContact O-CB 3.4Å; G132-N255 PolarHBondContact O-N 2.9Å; G132-N255 PolarHBondContact O-ND2 3.07Å
133M98.9Very high98.5Very high0 Ų037.5 Ų37.50%019%0.185CC..EExtended strand (participates in β ladder)trans-114.5130.9-176.1-65.9-177.173.200111.4Q205 V206 M214 L218 C252 H253 T254 P348M133-Q205 WeakPolarHBondContact O-CA 3.34Å; M133-V206 PolarHBondContact N-O 2.95Å; M133-V206 PolarHBondContact O-N 3.25Å; M133-M214 HydrophobicContact CB-CE 3.9Å; M133-M214 HydrophobicContact CB-SD 4.32Å; M133-M214 HydrophobicContact CG-CE 3.96Å; M133-M214 HydrophobicContact CG-CG 4.05Å; M133-M214 HydrophobicContact CG-SD 3.86Å; M133-M214 HydrophobicContact SD-CE 4.21Å; M133-M214 HydrophobicContact SD-CG 3.75Å; M133-M214 HydrophobicContact SD-SD 4.3Å; M133-L218 HydrophobicContact CB-CD2 4.16Å; M133-L218 HydrophobicContact CE-CD2 3.74Å; M133-L218 HydrophobicContact SD-CD2 3.8Å; M133-C252 HydrophobicContact CE-CB 4.42Å; M133-C252 WeakPolarHBondContact CE-SG 3.33Å; M133-H253 WeakPolarHBondContact CA-O 3.39Å; M133-T254 HydrophobicContact CG-CG2 4.03Å; M133-P348 HydrophobicContact CE-CB 3.99Å; M133-P348 HydrophobicContact SD-CB 3.67Å
134E98.9Very high98.4Very high31 Ų3136.4 Ų36.415%0.14519%0.192CC..EExtended strand (participates in β ladder)trans-96.990.5180-70.3168.6-153.300108.6E136 E203 Q205 C252 H253 N255E134-E136 PolarHBondContact O-N 3.3Å; E134-E203 HydrophobicContact CB-CG 4.36Å; E134-E203 WeakPolarHBondContact CB-OE1 3.12Å; E134-E203 WeakPolarHBondContact CG-OE1 3.33Å; E134-Q205 HydrophobicContact CB-CG 4.44Å; E134-Q205 HydrophobicContact CG-CG 3.81Å; E134-C252 VanDerWaalsContact O-CA 3.23Å; E134-C252 WeakPolarHBondContact O-CA 3.45Å; E134-H253 HydrophobicContact CB-CB 4.07Å; E134-H253 HydrophobicContact CG-CB 4.43Å; E134-H253 PolarHBondContact N-O 3.13Å; E134-H253 PolarHBondContact O-N 2.76Å; E134-H253 WeakPolarHBondContact OE2-CB 3.36Å; E134-H253 IonicContact OE2-CE1 3.2Å; E134-H253 IonicContact OE2-CG 2.79Å; E134-H253 IonicContact OE2-ND1 2.73Å; E134-H253 PolarHBondContact OE2-ND1 3.2Å; E134-N255 PolarHBondContact OE1-ND2 3.21Å
135Q98.9Very high98.3Very high0 Ų038.6 Ų38.60%020%0.202CC..EExtended strand (participates in β ladder)trans-82.4103.5-177.4179.268.172.200110.7E203 F204 L218 F238 A344Q135-E203 VanDerWaalsContact O-CA 3.32Å; Q135-E203 WeakPolarHBondContact O-CA 3.36Å; Q135-F204 HydrophobicContact CB-CD1 4.05Å; Q135-F204 HydrophobicContact CB-CD2 4.18Å; Q135-F204 HydrophobicContact CB-CE1 3.64Å; Q135-F204 HydrophobicContact CB-CE2 3.78Å; Q135-F204 HydrophobicContact CB-CG 4.31Å; Q135-F204 HydrophobicContact CB-CZ 3.51Å; Q135-F204 HydrophobicContact CG-CD1 4.14Å; Q135-F204 HydrophobicContact CG-CE1 3.35Å; Q135-F204 HydrophobicContact CG-CE2 4.21Å; Q135-F204 HydrophobicContact CG-CZ 3.41Å; Q135-F204 VanDerWaalsContact CG-CZ 3.41Å; Q135-F204 PolarHBondContact N-O 3.11Å; Q135-F204 PolarHBondContact O-N 3.37Å; Q135-L218 HydrophobicContact CB-CD1 3.98Å; Q135-L218 HydrophobicContact CG-CD1 4.43Å; Q135-F238 HydrophobicContact CG-CD1 4.39Å; Q135-F238 HydrophobicContact CG-CE1 4.04Å; Q135-A344 PolarHBondContact NE2-O 3.42Å; Q135-A344 PolarHBondContact OE1-O 2.84Å
136E98.9Very high98.3Very high14 Ų1432.6 Ų32.67%0.06517%0.174CC..EExtended strand (participates in β ladder)trans-82148.7167.7-60.4176.7-169.600110.6E134 E196 W202 E203 A250 G251 H253 A344E134-E136 PolarHBondContact O-N 3.3Å; E136-E196 HydrophobicContact CG-CG 4.13Å; E136-W202 CarbonylContact C-O 3.54Å; E136-W202 WeakPolarHBondContact CA-O 3.4Å; E136-E203 HydrophobicContact CG-CB 4.26Å; E136-E203 HydrophobicContact CG-CG 3.99Å; E136-E203 WeakPolarHBondContact CG-OE2 3.23Å; E136-A250 HydrophobicContact CB-CB 4.08Å; E136-A250 VanDerWaalsContact OE2-CA 3.22Å; E136-A250 WeakPolarHBondContact OE2-CA 3.29Å; E136-G251 WeakPolarHBondContact CB-O 3.43Å; E136-G251 PolarHBondContact N-O 2.87Å; E136-G251 PolarHBondContact OE2-N 2.91Å; E136-H253 IonicContact OE1-CE1 4Å; E136-A344 WeakPolarHBondContact O-CB 3.49Å
137Y98.9Very high98.3Very high1 Ų129 Ų290%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-157161.1177.465.5-84.9000111.6I139 Q201 W202 F204 L225 V236 F238Y137-I139 HydrophobicContact CD2-CG1 4.2Å; Y137-I139 HydrophobicContact CE2-CD1 4.26Å; Y137-I139 HydrophobicContact CE2-CG1 3.81Å; Y137-Q201 CarbonylContact O-C 3.41Å; Y137-Q201 VanDerWaalsContact O-CA 3.27Å; Y137-Q201 WeakPolarHBondContact O-CA 3.47Å; Y137-Q201 VanDerWaalsContact O-CG 3.23Å; Y137-Q201 WeakPolarHBondContact O-CG 3.47Å; Y137-W202 HydrophobicContact CD1-CB 4.37Å; Y137-W202 WeakPolarHBondContact CD1-O 3.41Å; Y137-W202 HydrophobicContact CE1-CB 3.67Å; Y137-W202 HydrophobicContact CE2-CB 3.91Å; Y137-W202 VanDerWaalsContact CZ-CB 3.45Å; Y137-W202 PolarHBondContact N-O 2.59Å; Y137-W202 PolarHBondContact O-N 3.08Å; Y137-F204 HydrophobicContact CD1-CD1 4.01Å; Y137-F204 HydrophobicContact CD1-CE1 4.21Å; Y137-F204 AromaticContact CE1-CD1 3.73Å; Y137-F204 HydrophobicContact CE1-CD1 3.73Å; Y137-F204 HydrophobicContact CE1-CE1 4.28Å; Y137-L225 HydrophobicContact CD1-CD2 3.84Å; Y137-L225 HydrophobicContact CD2-CD2 3.93Å; Y137-L225 HydrophobicContact CE1-CD2 3.87Å; Y137-L225 HydrophobicContact CE2-CD1 4.11Å; Y137-L225 HydrophobicContact CE2-CD2 3.92Å; Y137-L225 HydrophobicContact CG-CD2 3.86Å; Y137-V236 HydrophobicContact CD2-CG2 3.5Å; Y137-V236 HydrophobicContact CE2-CG2 4.38Å; Y137-V236 HydrophobicContact CG-CG2 3.88Å; Y137-F238 HydrophobicContact CG-CE1 4.4Å
138T98.9Very high98.3Very high0 Ų027.8 Ų27.80%016%0.158CC..EExtended strand (participates in β ladder)trans-119.5133.7175-51.90000110.9L140 M198 S237 P242T138-L140 HydrophobicContact CG2-CD2 3.89Å; T138-M198 HydrophobicContact CG2-CE 3.88Å; T138-S237 PolarHBondContact N-O 2.94Å; T138-S237 PolarHBondContact O-N 3.26Å; T138-P242 HydrophobicContact CG2-CG 4.49Å; T138-P242 WeakPolarHBondContact OG1-CG 3.19Å
139I98.8Very high98.2Very high0 Ų025 Ų250%014%0.144CC..EExtended strand (participates in β ladder)trans-85.6126.6175-53.2170.6000108.4Y137 F147 I175 A200 V234 V235Y137-I139 HydrophobicContact CD2-CG1 4.2Å; Y137-I139 HydrophobicContact CE2-CD1 4.26Å; Y137-I139 HydrophobicContact CE2-CG1 3.81Å; I139-F147 HydrophobicContact CB-CB 4.12Å; I139-F147 HydrophobicContact CG2-CB 3.66Å; I139-F147 HydrophobicContact CG2-CG 4.1Å; I139-F147 WeakPolarHBondContact O-CB 3.42Å; I139-F147 PolarHBondContact O-N 2.92Å; I139-I175 HydrophobicContact CD1-CB 4.45Å; I139-I175 HydrophobicContact CD1-CD1 3.87Å; I139-I175 HydrophobicContact CD1-CG2 4.49Å; I139-I175 HydrophobicContact CG2-CD1 4.08Å; I139-A200 PolarHBondContact N-O 3.22Å; I139-V234 HydrophobicContact CG2-CB 3.82Å; I139-V234 HydrophobicContact CG2-CG1 4.29Å; I139-V234 HydrophobicContact CG2-CG2 3.7Å; I139-V235 CarbonylContact C-O 3.57Å; I139-V235 WeakPolarHBondContact CA-O 3.32Å
140L98.6Very high98.1Very high20 Ų2027.9 Ų27.911%0.10516%0.163CC..EExtended strand (participates in β ladder)trans-117.8151.1179.7-50.1179.9000110.5T138 H145 P146 V234 V235T138-L140 HydrophobicContact CG2-CD2 3.89Å; L140-H145 CarbonylContact C-O 3.42Å; L140-H145 WeakPolarHBondContact CA-O 3.43Å; L140-P146 HydrophobicContact CD2-CB 4.27Å; L140-P146 HydrophobicContact CD2-CG 4.14Å; L140-V234 WeakPolarHBondContact O-CB 3.5Å; L140-V235 HydrophobicContact CB-CB 4.24Å; L140-V235 PolarHBondContact N-O 3.27Å; L140-V235 PolarHBondContact O-N 2.99Å
141G98.1Very high97.9Very high3 Ų328.4 Ų28.43%0.03118%0.181CC..  trans-67.8169.4159.200000111.4A2 D143 G144 H145A2-G141 CarbonylContact O-C 3.5Å; A2-G141 WeakPolarHBondContact O-CA 3.42Å; G141-D143 PolarHBondContact O-N 3.25Å; G141-G144 PolarHBondContact O-N 3.38Å; G141-H145 PolarHBondContact N-O 3.36Å
142T97.4Very high97.6Very high74 Ų7436.3 Ų36.345%0.45422%0.224SC..THydrogen-bonded Turntrans-69.7-10.4175.5560000113.5A2 G144A2-T142 PolarHBondContact O-N 3.02Å; A2-T142 PolarHBondContact O-OG1 2.69Å; T142-G144 VanDerWaalsContact C-N 3.26Å
143D96.3Very high97.4Very high101 Ų10136.6 Ų36.654%0.5423%0.226SC..THydrogen-bonded Turntrans-82.7-1.2170.4565.1000112.9A2 G141 H145A2-D143 HydrophobicContact CB-CB 3.73Å; A2-D143 VanDerWaalsContact CB-CG 3.43Å; A2-D143 VanDerWaalsContact CB-OD2 3.29Å; A2-D143 WeakPolarHBondContact CB-OD2 3.4Å; G141-D143 PolarHBondContact O-N 3.25Å; D143-H145 PolarHBondContact O-N 3.22Å; D143-H145 WeakPolarHBondContact OD1-CB 3.35Å; D143-H145 PolarHBondContact OD1-N 3.42Å
144G96.2Very high97.3Very high46 Ų4642.9 Ų42.947%0.47425%0.254SS..SBendtrans791.7-176.600000114.1G141 T142G141-G144 PolarHBondContact O-N 3.38Å; T142-G144 VanDerWaalsContact C-N 3.26Å
145H97.1Very high97.2Very high47 Ų4742.4 Ų42.422%0.21825%0.253CS..SBendtrans-87.9144.2178-163.266.2000110.9L140 G141 D143 F147 W149 P150 G153L140-H145 CarbonylContact C-O 3.42Å; L140-H145 WeakPolarHBondContact CA-O 3.43Å; G141-H145 PolarHBondContact N-O 3.36Å; D143-H145 PolarHBondContact O-N 3.22Å; D143-H145 WeakPolarHBondContact OD1-CB 3.35Å; D143-H145 PolarHBondContact OD1-N 3.42Å; H145-F147 PolarHBondContact O-N 3.39Å; H145-W149 WeakPolarHBondContact NE2-CB 3.2Å; H145-W149 AromaticContact NE2-CE3 3.99Å; H145-P150 PolarHBondContact NE2-O 2.85Å; H145-G153 PolarHBondContact CE1-O 2.65Å; H145-G153 PolarHBondContact NE2-O 3.43Å
146P98.2Very high97.1Very high3 Ų344.2 Ų44.22%0.01927%0.272CS..BIsolated β-bridgetrans-58.5137.2-178.8-24.634.7000113.2L140 G148 W149 M198 A200 I243L140-P146 HydrophobicContact CD2-CB 4.27Å; L140-P146 HydrophobicContact CD2-CG 4.14Å; P146-G148 PolarHBondContact O-N 2.87Å; P146-W149 HydrophobicContact CB-CD2 3.7Å; P146-W149 HydrophobicContact CB-CE3 4.36Å; P146-W149 HydrophobicContact CB-CG 3.74Å; P146-W149 HydrophobicContact CB-CZ2 4.34Å; P146-W149 HydrophobicContact CG-CD2 3.88Å; P146-W149 HydrophobicContact CG-CE3 4.04Å; P146-W149 HydrophobicContact CG-CG 4.37Å; P146-W149 HydrophobicContact CG-CH2 4.41Å; P146-W149 HydrophobicContact CG-CZ2 4.27Å; P146-W149 HydrophobicContact CG-CZ3 4.27Å; P146-W149 WeakPolarHBondContact O-CB 3.23Å; P146-W149 PolarHBondContact O-N 2.81Å; P146-M198 HydrophobicContact CB-CE 4.12Å; P146-M198 HydrophobicContact CG-CE 3.77Å; P146-A200 HydrophobicContact CB-CB 4.45Å; P146-I243 HydrophobicContact CG-CD1 3.64Å; P146-I243 HydrophobicContact CG-CG1 3.77Å
147F98.1Very high97.1Very high36 Ų3648.9 Ų48.916%0.15830%0.304CS..THydrogen-bonded Turntrans-66.3128.3-174.7-179-94.1000111M1 I139 H145 W149 A200 V234M1-F147 HydrophobicContact CE-CD1 4.4Å; M1-F147 HydrophobicContact CE-CD2 4.16Å; M1-F147 HydrophobicContact CE-CE1 3.87Å; M1-F147 HydrophobicContact CE-CE2 3.6Å; M1-F147 HydrophobicContact CE-CZ 3.44Å; M1-F147 VanDerWaalsContact CE-CZ 3.44Å; M1-F147 HydrophobicContact SD-CD1 4.23Å; M1-F147 HydrophobicContact SD-CD2 3.44Å; M1-F147 WeakPolarHBondContact SD-CD2 3.32Å; M1-F147 HydrophobicContact SD-CE1 4.25Å; M1-F147 HydrophobicContact SD-CE2 3.47Å; M1-F147 WeakPolarHBondContact SD-CE2 3.31Å; M1-F147 HydrophobicContact SD-CG 3.85Å; M1-F147 HydrophobicContact SD-CZ 3.89Å; I139-F147 HydrophobicContact CB-CB 4.12Å; I139-F147 HydrophobicContact CG2-CB 3.66Å; I139-F147 HydrophobicContact CG2-CG 4.1Å; I139-F147 WeakPolarHBondContact O-CB 3.42Å; I139-F147 PolarHBondContact O-N 2.92Å; H145-F147 PolarHBondContact O-N 3.39Å; F147-W149 VanDerWaalsContact C-N 3.33Å; F147-A200 WeakPolarHBondContact O-CB 3.46Å; F147-V234 HydrophobicContact CD2-CG1 3.61Å; F147-V234 HydrophobicContact CE2-CG1 3.74Å; F147-V234 HydrophobicContact CG-CG1 4.36Å
148G97.1Very high97.1Very high24 Ų2451 Ų5125%0.24731%0.314CS..THydrogen-bonded Turntrans91-6.5179.400000113.6M1 P146M1-G148 WeakPolarHBondContact SD-CA 2.91Å; M1-G148 PolarHBondContact SD-N 2.97Å; P146-G148 PolarHBondContact O-N 2.87Å
149W97.8Very high97Very high11 Ų1153.8 Ų53.84%0.04234%0.342CS..SBendtrans-74.1153.9177-73.736000111.8H145 P146 F147 S151 F154 P155 M198 P199 I243 W247H145-W149 WeakPolarHBondContact NE2-CB 3.2Å; H145-W149 AromaticContact NE2-CE3 3.99Å; P146-W149 HydrophobicContact CB-CD2 3.7Å; P146-W149 HydrophobicContact CB-CE3 4.36Å; P146-W149 HydrophobicContact CB-CG 3.74Å; P146-W149 HydrophobicContact CB-CZ2 4.34Å; P146-W149 HydrophobicContact CG-CD2 3.88Å; P146-W149 HydrophobicContact CG-CE3 4.04Å; P146-W149 HydrophobicContact CG-CG 4.37Å; P146-W149 HydrophobicContact CG-CH2 4.41Å; P146-W149 HydrophobicContact CG-CZ2 4.27Å; P146-W149 HydrophobicContact CG-CZ3 4.27Å; P146-W149 WeakPolarHBondContact O-CB 3.23Å; P146-W149 PolarHBondContact O-N 2.81Å; F147-W149 VanDerWaalsContact C-N 3.33Å; W149-S151 PolarHBondContact O-N 3.1Å; W149-F154 HydrophobicContact CE3-CD1 4.16Å; W149-F154 HydrophobicContact CH2-CD1 4.19Å; W149-F154 AromaticContact CZ3-CD1 3.42Å; W149-F154 HydrophobicContact CZ3-CD1 3.42Å; W149-F154 VanDerWaalsContact CZ3-CD1 3.42Å; W149-F154 AromaticContact CZ3-CE1 3.91Å; W149-F154 HydrophobicContact CZ3-CE1 3.91Å; W149-F154 HydrophobicContact CZ3-CG 4.37Å; W149-P155 HydrophobicContact CD2-CG 3.86Å; W149-P155 VanDerWaalsContact CE3-CD 3.44Å; W149-P155 HydrophobicContact CE3-CG 4.38Å; W149-P155 HydrophobicContact CG-CG 4.17Å; W149-P155 HydrophobicContact CZ2-CG 4.04Å; W149-M198 HydrophobicContact CH2-CE 3.84Å; W149-M198 HydrophobicContact CZ2-CE 3.41Å; W149-M198 VanDerWaalsContact CZ2-CE 3.41Å; W149-M198 HydrophobicContact CZ2-CG 4Å; W149-M198 HydrophobicContact CZ2-SD 4.45Å; W149-P199 HydrophobicContact CZ2-CG 3.86Å; W149-P199 PolarHBondContact NE1-O 2.83Å; W149-I243 HydrophobicContact CH2-CG1 4.3Å; W149-I243 HydrophobicContact CH2-CG2 4.36Å; W149-I243 HydrophobicContact CZ3-CG2 4.45Å; W149-W247 AromaticContact CH2-CD2 3.63Å; W149-W247 HydrophobicContact CH2-CD2 3.63Å; W149-W247 AromaticContact CH2-CE2 3.55Å; W149-W247 AromaticContact CH2-CE3 3.95Å; W149-W247 HydrophobicContact CH2-CE3 3.95Å; W149-W247 HydrophobicContact CH2-CG 4.14Å; W149-W247 HydrophobicContact CH2-CH2 4.15Å; W149-W247 AromaticContact CH2-CZ2 3.83Å; W149-W247 HydrophobicContact CH2-CZ2 3.83Å; W149-W247 HydrophobicContact CH2-CZ3 4.19Å; W149-W247 AromaticContact CH2-NE1 3.95Å; W149-W247 HydrophobicContact CZ2-CD2 4.2Å; W149-W247 HydrophobicContact CZ2-CE3 4.04Å; W149-W247 HydrophobicContact CZ2-CH2 4.34Å; W149-W247 HydrophobicContact CZ2-CZ2 4.48Å; W149-W247 HydrophobicContact CZ2-CZ3 4.12Å; W149-W247 HydrophobicContact CZ3-CZ2 4.32Å
150P96.7Very high96.9Very high64 Ų6457.1 Ų57.142%0.41636%0.364SS..PPolyproline II helixtrans-58.7135.5173.4-22.734.8000111H145 N152 G153H145-P150 PolarHBondContact NE2-O 2.85Å; P150-N152 PolarHBondContact O-N 3.32Å; P150-G153 PolarHBondContact O-N 3.21Å
151S94.1Very high96.9Very high107 Ų10756.7 Ų56.775%0.74836%0.361SS*.THydrogen-bonded Turntrans-53.3123.4177.5-57.10000111.1W149 G153W149-S151 PolarHBondContact O-N 3.1Å; S151-G153 PolarHBondContact O-N 3.43Å
152N91.8Very high97Very high168 Ų16861.5 Ų61.590%0.89838%0.379SS*.THydrogen-bonded Turntrans54.730.4-176-57.7-32.5000114P150P150-N152 PolarHBondContact O-N 3.32Å
153G94.8Very high97Very high18 Ų1861.8 Ų61.819%0.18638%0.383CS..SBendtrans-144.6-170.1-176.200000113.3H145 P150 S151H145-G153 PolarHBondContact CE1-O 2.65Å; H145-G153 PolarHBondContact NE2-O 3.43Å; P150-G153 PolarHBondContact O-N 3.21Å; S151-G153 PolarHBondContact O-N 3.43Å
154F97.4Very high97.1Very high132 Ų13257.4 Ų57.458%0.57936%0.362SS*.  trans-126.1145.7-179.3-63.5-89.5000109.4W149 I243 W247W149-F154 HydrophobicContact CE3-CD1 4.16Å; W149-F154 HydrophobicContact CH2-CD1 4.19Å; W149-F154 AromaticContact CZ3-CD1 3.42Å; W149-F154 HydrophobicContact CZ3-CD1 3.42Å; W149-F154 VanDerWaalsContact CZ3-CD1 3.42Å; W149-F154 AromaticContact CZ3-CE1 3.91Å; W149-F154 HydrophobicContact CZ3-CE1 3.91Å; W149-F154 HydrophobicContact CZ3-CG 4.37Å; F154-I243 HydrophobicContact CE1-CG2 4.34Å; F154-W247 HydrophobicContact CB-CZ2 4.16Å; F154-W247 AromaticContact CD1-CE2 3.9Å; F154-W247 AromaticContact CD1-CZ2 3.83Å; F154-W247 HydrophobicContact CD1-CZ2 3.83Å; F154-W247 AromaticContact CD1-NE1 3.51Å; F154-W247 AromaticContact CE1-NE1 3.68Å; F154-W247 HydrophobicContact CG-CZ2 4.42Å
155P97.4Very high97.2Very high21 Ų2160.9 Ų60.914%0.13637%0.374CS..  trans-71.1-177.4167.932.5-33.9000110.3W149 P199 W247W149-P155 HydrophobicContact CD2-CG 3.86Å; W149-P155 VanDerWaalsContact CE3-CD 3.44Å; W149-P155 HydrophobicContact CE3-CG 4.38Å; W149-P155 HydrophobicContact CG-CG 4.17Å; W149-P155 HydrophobicContact CZ2-CG 4.04Å; P155-P199 HydrophobicContact CB-CG 4.35Å; P155-P199 HydrophobicContact CG-CB 4.38Å; P155-P199 HydrophobicContact CG-CG 3.47Å; P155-P199 VanDerWaalsContact CG-CG 3.47Å; P155-W247 HydrophobicContact CG-CH2 3.83Å; P155-W247 HydrophobicContact CG-CZ3 4.37Å
156G97.6Very high97.3Very high38 Ų3860.4 Ų60.439%0.39238%0.381SS..SBendtrans-59.8163.9171.800000112.5Y161 W247G156-Y161 VanDerWaalsContact C-OH 3.27Å; G156-Y161 PolarHBondContact N-OH 2.94Å; G156-Y161 PolarHBondContact O-OH 2.65Å; G156-W247 WeakPolarHBondContact O-CH2 3.47Å
157P97.8Very high97.3Very high112 Ų11264.9 Ų64.973%0.72742%0.418SS*.PPolyproline II helixtrans-56.1155.4179.5-24.434.2000113.7P160 Y161P157-P160 WeakPolarHBondContact O-CD 3.42Å; P157-Y161 VanDerWaalsContact O-CE2 3.29Å; P157-Y161 WeakPolarHBondContact O-CE2 3.15Å
158Q98.2Very high97.3Very high46 Ų4667.7 Ų67.722%0.21544%0.435CS..SBendtrans-57.5150.3175-57.2-169.4138.200112.2V197 W247 N248Q158-V197 HydrophobicContact CB-CG1 3.99Å; Q158-V197 HydrophobicContact CG-CG1 4.36Å; Q158-W247 HydrophobicContact CG-CE3 3.48Å; Q158-W247 VanDerWaalsContact CG-CE3 3.48Å; Q158-W247 HydrophobicContact CG-CZ3 3.55Å; Q158-N248 PolarHBondContact NE2-OD1 3.46Å
159G96.9Very high97.3Very high58 Ų5869.6 Ų69.660%0.59844%0.437SS*.SBendtrans142.8-59.6-175.500000112.9Y161G159-Y161 VanDerWaalsContact C-N 3.3Å; G159-Y161 PolarHBondContact O-N 3.17Å
160P98.1Very high97.4Very high71 Ų7169.8 Ų69.846%0.46144%0.441SS..SBendtrans-80.1-6.4-175.331.6-35.7000114.8P157 K169P157-P160 WeakPolarHBondContact O-CD 3.42Å; P160-K169 WeakPolarHBondContact O-CG 3.16Å
161Y98.6Very high97.4Very high11 Ų1168.6 Ų68.64%0.04343%0.428CS..  trans-89.3-38.3-169.7-47.8-64.6000113.8G156 P157 G159 C163 G164 V197 P199G156-Y161 VanDerWaalsContact C-OH 3.27Å; G156-Y161 PolarHBondContact N-OH 2.94Å; G156-Y161 PolarHBondContact O-OH 2.65Å; P157-Y161 VanDerWaalsContact O-CE2 3.29Å; P157-Y161 WeakPolarHBondContact O-CE2 3.15Å; G159-Y161 VanDerWaalsContact C-N 3.3Å; G159-Y161 PolarHBondContact O-N 3.17Å; Y161-C163 PolarHBondContact O-N 2.94Å; Y161-G164 WeakPolarHBondContact O-CA 3.34Å; Y161-G164 PolarHBondContact O-N 3.14Å; Y161-V197 WeakPolarHBondContact CD2-O 3.34Å; Y161-P199 HydrophobicContact CD1-CB 3.72Å; Y161-P199 HydrophobicContact CD1-CG 4.24Å; Y161-P199 HydrophobicContact CD2-CB 4.16Å; Y161-P199 VanDerWaalsContact CD2-CD 3.5Å; Y161-P199 HydrophobicContact CD2-CG 3.89Å; Y161-P199 HydrophobicContact CE1-CB 3.85Å; Y161-P199 HydrophobicContact CE1-CG 4.1Å; Y161-P199 HydrophobicContact CE2-CB 4.26Å; Y161-P199 HydrophobicContact CE2-CG 3.71Å; Y161-P199 HydrophobicContact CG-CB 3.87Å; Y161-P199 HydrophobicContact CG-CG 4.14Å
162Y98.6Very high97.6Very high103 Ų10364.1 Ų64.140%0.40440%0.399SS..THydrogen-bonded Turntrans-57.8122.7-179.9179.2-104.4000110.5G164 A195 E196 V197Y162-G164 PolarHBondContact O-N 3Å; Y162-A195 WeakPolarHBondContact CD2-O 3.39Å; Y162-E196 PolarHBondContact N-O 2.87Å; Y162-V197 HydrophobicContact CD2-CG2 4.06Å; Y162-V197 HydrophobicContact CG-CG2 4.39Å
163C98.5Very high98Very high80 Ų8060.1 Ų60.154%0.54137%0.371SS..THydrogen-bonded Turntrans50.626.1-173.2-67.30000114.2Y161 A195Y161-C163 PolarHBondContact O-N 2.94Å; C163-A195 PolarHBondContact N-O 2.99Å
164G98.5Very high98.2Very high10 Ų1064.8 Ų64.810%0.10339%0.392CS..  trans-72.3156.6-175.600000113.5Y161 Y162 R173Y161-G164 WeakPolarHBondContact O-CA 3.34Å; Y161-G164 PolarHBondContact O-N 3.14Å; Y162-G164 PolarHBondContact O-N 3Å; G164-R173 PolarHBondContact O-NH2 3.03Å
165V98.6Very high98.2Very high119 Ų11958.7 Ų58.772%0.72137%0.365SS*.  trans-134.6143.2174.563.90000109.9
166G98.3Very high98.3Very high36 Ų3657.8 Ų57.837%0.37136%0.359SS..SBendtrans110.9155.6-174.900000112.8D168 K169 A170G166-D168 PolarHBondContact O-N 2.93Å; G166-K169 PolarHBondContact O-N 3.49Å; G166-K169 VanDerWaalsContact O-N 3.07Å; G166-A170 PolarHBondContact O-N 3.08Å; G166-A170 VanDerWaalsContact O-N 3.09Å
167A98.3Very high98.4Very high97 Ų9761.1 Ų61.180%0.80237%0.365SS*.THydrogen-bonded Turntrans-63.5-24.1-172.400000113.8Y171A167-Y171 VanDerWaalsContact O-CE1 3.32Å; A167-Y171 WeakPolarHBondContact O-CE1 3.34Å
168D97.6Very high98.4Very high95 Ų9557.5 Ų57.551%0.50834%0.344SS..THydrogen-bonded Turntrans-95.66.1179.160.8-38.5000113.4G166 Y171G166-D168 PolarHBondContact O-N 2.93Å; D168-Y171 PolarHBondContact O-OH 3.43Å
169K98.4Very high98.5Very high64 Ų6455.3 Ų55.328%0.27833%0.334SS..THydrogen-bonded Turntrans-122.1-47.3-179.7-70.575.5173.1-174.20112.3P160 G166P160-K169 WeakPolarHBondContact O-CG 3.16Å; G166-K169 PolarHBondContact O-N 3.49Å; G166-K169 VanDerWaalsContact O-N 3.07Å
170A98.6Very high98.6Very high16 Ų1655.3 Ų55.313%0.13232%0.316CS..  trans-114.196.8-167.800000112.4G166 W202G166-A170 PolarHBondContact O-N 3.08Å; G166-A170 VanDerWaalsContact O-N 3.09Å; A170-W202 HydrophobicContact CB-CH2 4.08Å; A170-W202 HydrophobicContact CB-CZ2 4.24Å
171Y98.4Very high98.6Very high38 Ų3860.6 Ų60.615%0.14933%0.327CS..THydrogen-bonded Turntrans-92.1122.6-177.4-50.2-27.9000111.2A167 D168 P199 A200 W202A167-Y171 VanDerWaalsContact O-CE1 3.32Å; A167-Y171 WeakPolarHBondContact O-CE1 3.34Å; D168-Y171 PolarHBondContact O-OH 3.43Å; Y171-P199 HydrophobicContact CD2-CB 3.95Å; Y171-P199 HydrophobicContact CE2-CB 3.72Å; Y171-A200 HydrophobicContact CD2-CB 4.48Å; Y171-W202 WeakPolarHBondContact O-CZ2 3.39Å; Y171-W202 PolarHBondContact O-NE1 2.86Å
172G98.3Very high98.6Very high13 Ų1360.7 Ų60.713%0.13433%0.33CS..THydrogen-bonded Turntrans87.720.9174.300000115.7D174 I175G172-D174 PolarHBondContact O-N 2.95Å; G172-D174 VanDerWaalsContact O-N 3.13Å; G172-I175 WeakPolarHBondContact O-CB 3.5Å; G172-I175 PolarHBondContact O-N 2.91Å
173R98.8Very high98.6Very high85 Ų8555.8 Ų55.832%0.32131%0.311SS..Hα-helixtrans-54.7-32.4179.9-172.2-178.6-58.1-80.8-0.6113.6G164 I175 V176 E177 W202G164-R173 PolarHBondContact O-NH2 3.03Å; R173-I175 PolarHBondContact O-N 2.87Å; R173-V176 WeakPolarHBondContact O-CB 3.25Å; R173-V176 PolarHBondContact O-N 3.26Å; R173-E177 HydrophobicContact CG-CG 3.98Å; R173-E177 WeakPolarHBondContact O-CG 3.39Å; R173-E177 PolarHBondContact O-N 2.79Å; R173-W202 HydrophobicContact CB-CH2 3.87Å; R173-W202 HydrophobicContact CB-CZ2 4.16Å; R173-W202 HydrophobicContact CG-CH2 4.09Å
174D98.8Very high98.7Very high115 Ų11556 Ų5662%0.61531%0.306SS*.Hα-helixtrans-56.7-35.7178.4-60.8-32.9000112.7G172 A178 F232G172-D174 PolarHBondContact O-N 2.95Å; G172-D174 VanDerWaalsContact O-N 3.13Å; D174-A178 WeakPolarHBondContact O-CB 3.27Å; D174-A178 PolarHBondContact O-N 3.02Å; D174-F232 HydrophobicContact CB-CE1 3.91Å; D174-F232 HydrophobicContact CB-CZ 4.01Å
175I98.9Very high98.7Very high4 Ų458.6 Ų58.62%0.02131%0.313CS..Hα-helixtrans-67.9-42.2177.4-66.3145.6000110.3I139 G172 R173 H179 L225 V228 C229 F232 V234I139-I175 HydrophobicContact CD1-CB 4.45Å; I139-I175 HydrophobicContact CD1-CD1 3.87Å; I139-I175 HydrophobicContact CD1-CG2 4.49Å; I139-I175 HydrophobicContact CG2-CD1 4.08Å; G172-I175 WeakPolarHBondContact O-CB 3.5Å; G172-I175 PolarHBondContact O-N 2.91Å; R173-I175 PolarHBondContact O-N 2.87Å; I175-H179 WeakPolarHBondContact O-CB 3.33Å; I175-H179 PolarHBondContact O-N 2.88Å; I175-L225 HydrophobicContact CG2-CD1 3.98Å; I175-V228 HydrophobicContact CG2-CG1 4.13Å; I175-C229 VanDerWaalsContact CG2-SG 3.56Å; I175-F232 HydrophobicContact CG1-CB 4.11Å; I175-F232 HydrophobicContact CG1-CD1 4.5Å; I175-F232 HydrophobicContact CG1-CD2 3.73Å; I175-F232 HydrophobicContact CG1-CE2 4.28Å; I175-F232 HydrophobicContact CG1-CG 3.87Å; I175-V234 HydrophobicContact CD1-CG2 3.63Å; I175-V234 HydrophobicContact CG1-CG2 4.39Å
176V98.9Very high98.7Very high2 Ų253.1 Ų53.11%0.01228%0.28CS..Hα-helixtrans-64.9-48.3-179.5-176.10000109.9R173 H179 Y180 T193 W202R173-V176 WeakPolarHBondContact O-CB 3.25Å; R173-V176 PolarHBondContact O-N 3.26Å; V176-H179 PolarHBondContact O-N 2.85Å; V176-Y180 WeakPolarHBondContact O-CB 3.4Å; V176-Y180 PolarHBondContact O-N 3.26Å; V176-T193 HydrophobicContact CG1-CG2 4.09Å; V176-W202 HydrophobicContact CB-CE3 4.26Å; V176-W202 HydrophobicContact CB-CZ3 4.43Å; V176-W202 HydrophobicContact CG1-CE3 4.08Å; V176-W202 HydrophobicContact CG1-CZ3 4.34Å; V176-W202 HydrophobicContact CG2-CB 4.26Å; V176-W202 HydrophobicContact CG2-CD2 3.31Å; V176-W202 HydrophobicContact CG2-CE3 3.39Å; V176-W202 HydrophobicContact CG2-CG 3.7Å; V176-W202 HydrophobicContact CG2-CH2 4.21Å; V176-W202 HydrophobicContact CG2-CZ2 4.16Å; V176-W202 HydrophobicContact CG2-CZ3 3.84Å
177E98.9Very high98.7Very high109 Ų10953.6 Ų53.651%0.50929%0.285SS..Hα-helixtrans-64.9-42.1179.5-66.1-66.9160.500111.9R173 R181R173-E177 HydrophobicContact CG-CG 3.98Å; R173-E177 WeakPolarHBondContact O-CG 3.39Å; R173-E177 PolarHBondContact O-N 2.79Å; E177-R181 PolarHBondContact O-N 2.69Å; E177-R181 VanDerWaalsContact O-N 3.08Å
178A98.9Very high98.7Very high35 Ų3549.2 Ų49.229%0.28925%0.249SC..Hα-helixtrans-65.6-45176.200000111.8D174 R181 A182 V228 F232D174-A178 WeakPolarHBondContact O-CB 3.27Å; D174-A178 PolarHBondContact O-N 3.02Å; A178-R181 PolarHBondContact O-N 3.36Å; A178-A182 VanDerWaalsContact O-CB 3.25Å; A178-A182 WeakPolarHBondContact O-CB 3.44Å; A178-A182 PolarHBondContact O-N 2.77Å; A178-V228 HydrophobicContact CB-CG1 3.88Å; A178-F232 HydrophobicContact CB-CE2 4.06Å; A178-F232 HydrophobicContact CB-CZ 4.47Å
179H98.9Very high98.8Very high0 Ų048.6 Ų48.60%024%0.243CC..Hα-helixtrans-60.9-46.3175.9173.4-106.4000111.8I175 V176 R181 A182 C183 F204 A221 L225I175-H179 WeakPolarHBondContact O-CB 3.33Å; I175-H179 PolarHBondContact O-N 2.88Å; V176-H179 PolarHBondContact O-N 2.85Å; H179-R181 PolarHBondContact O-N 3.16Å; H179-A182 PolarHBondContact O-N 3.47Å; H179-C183 PolarHBondContact NE2-SG 3.21Å; H179-C183 VanDerWaalsContact NE2-SG 3.36Å; H179-C183 WeakPolarHBondContact O-CB 3.36Å; H179-C183 PolarHBondContact O-N 2.86Å; H179-C183 PolarHBondContact O-SG 2.93Å; H179-F204 AromaticContact CE1-CD1 3.69Å; H179-F204 AromaticContact CE1-CD2 3.94Å; H179-F204 AromaticContact CE1-CE1 3.93Å; H179-F204 AromaticContact CE1-CG 3.7Å; H179-A221 PolarHBondContact NE2-O 3.45Å; H179-L225 HydrophobicContact CB-CD1 4.16Å; H179-L225 VanDerWaalsContact CD2-CA 3.47Å; H179-L225 WeakPolarHBondContact CD2-CA 3.34Å; H179-L225 PolarHBondContact CD2-N 3.01Å
180Y98.9Very high98.8Very high59 Ų5946.2 Ų46.223%0.23123%0.233CC..Hα-helixtrans-56.8-52.3177.6-158.1-37.2000110V176 A182 C183 L184 I190 T193V176-Y180 WeakPolarHBondContact O-CB 3.4Å; V176-Y180 PolarHBondContact O-N 3.26Å; Y180-A182 VanDerWaalsContact C-N 3.31Å; Y180-A182 PolarHBondContact O-N 3.49Å; Y180-C183 PolarHBondContact O-N 2.79Å; Y180-L184 HydrophobicContact CD1-CD1 3.62Å; Y180-L184 HydrophobicContact CD1-CG 3.81Å; Y180-L184 HydrophobicContact CE1-CD1 3.73Å; Y180-L184 HydrophobicContact CE1-CD2 4.16Å; Y180-L184 HydrophobicContact CE1-CG 3.89Å; Y180-L184 WeakPolarHBondContact O-CG 3.23Å; Y180-L184 PolarHBondContact O-N 3.48Å; Y180-I190 HydrophobicContact CD1-CD1 3.89Å; Y180-I190 HydrophobicContact CD1-CG1 4.45Å; Y180-I190 HydrophobicContact CD1-CG2 3.97Å; Y180-I190 HydrophobicContact CD2-CD1 4.33Å; Y180-I190 HydrophobicContact CE1-CD1 4.19Å; Y180-I190 HydrophobicContact CE1-CG1 4.27Å; Y180-I190 HydrophobicContact CE1-CG2 3.78Å; Y180-I190 HydrophobicContact CG-CD1 3.93Å; Y180-T193 HydrophobicContact CD2-CG2 3.44Å; Y180-T193 VanDerWaalsContact CD2-CG2 3.44Å; Y180-T193 WeakPolarHBondContact CD2-OG1 3.13Å; Y180-T193 HydrophobicContact CE2-CG2 3.8Å; Y180-T193 HydrophobicContact CG-CG2 4.3Å
181R98.9Very high98.8Very high182 Ų18249 Ų4969%0.68725%0.25SS*.Hα-helixtrans-62-39.5179.8-171.25855.8159.62.1112.4E177 A178 H179 L184 Y185E177-R181 PolarHBondContact O-N 2.69Å; E177-R181 VanDerWaalsContact O-N 3.08Å; A178-R181 PolarHBondContact O-N 3.36Å; H179-R181 PolarHBondContact O-N 3.16Å; R181-L184 PolarHBondContact O-N 3.28Å; R181-Y185 WeakPolarHBondContact O-CB 3.4Å; R181-Y185 PolarHBondContact O-N 3.25Å
182A98.9Very high98.8Very high12 Ų1247.7 Ų47.710%0.09925%0.249CC..Hα-helixtrans-63.8-43.717800000111.7P88 A178 H179 Y180 Y185 A186 I224P88-A182 HydrophobicContact CB-CB 3.71Å; P88-A182 HydrophobicContact CG-CB 3.91Å; A178-A182 VanDerWaalsContact O-CB 3.25Å; A178-A182 WeakPolarHBondContact O-CB 3.44Å; A178-A182 PolarHBondContact O-N 2.77Å; H179-A182 PolarHBondContact O-N 3.47Å; Y180-A182 VanDerWaalsContact C-N 3.31Å; Y180-A182 PolarHBondContact O-N 3.49Å; A182-Y185 PolarHBondContact O-N 2.51Å; A182-A186 VanDerWaalsContact O-CB 3.27Å; A182-A186 WeakPolarHBondContact O-CB 3.45Å; A182-A186 PolarHBondContact O-N 2.91Å; A182-I224 HydrophobicContact CB-CG2 3.5Å
183C98.9Very high98.8Very high0 Ų049.1 Ų49.10%026%0.255CS..Hα-helixtrans-61.4-47.5174.3-76.40000111.9H179 Y180 Y185 A186 G187 V188 I190H179-C183 PolarHBondContact NE2-SG 3.21Å; H179-C183 VanDerWaalsContact NE2-SG 3.36Å; H179-C183 WeakPolarHBondContact O-CB 3.36Å; H179-C183 PolarHBondContact O-N 2.86Å; H179-C183 PolarHBondContact O-SG 2.93Å; Y180-C183 PolarHBondContact O-N 2.79Å; C183-Y185 VanDerWaalsContact C-N 3.33Å; C183-Y185 PolarHBondContact O-N 3.32Å; C183-A186 PolarHBondContact O-N 3.23Å; C183-G187 PolarHBondContact O-N 2.75Å; C183-G187 VanDerWaalsContact O-N 3.08Å; C183-V188 HydrophobicContact CB-CB 3.91Å; C183-V188 HydrophobicContact CB-CG1 4.21Å; C183-V188 PolarHBondContact O-N 3.21Å; C183-I190 HydrophobicContact CB-CB 4.04Å; C183-I190 HydrophobicContact CB-CD1 4.13Å; C183-I190 HydrophobicContact CB-CG2 3.72Å
184L98.9Very high98.8Very high85 Ų8546.4 Ų46.445%0.44525%0.247SC..Hα-helixtrans-58.4-44.1175.8-73.2172.9000112.1Y180 R181 G187 I190Y180-L184 HydrophobicContact CD1-CD1 3.62Å; Y180-L184 HydrophobicContact CD1-CG 3.81Å; Y180-L184 HydrophobicContact CE1-CD1 3.73Å; Y180-L184 HydrophobicContact CE1-CD2 4.16Å; Y180-L184 HydrophobicContact CE1-CG 3.89Å; Y180-L184 WeakPolarHBondContact O-CG 3.23Å; Y180-L184 PolarHBondContact O-N 3.48Å; R181-L184 PolarHBondContact O-N 3.28Å; L184-G187 PolarHBondContact O-N 3.38Å; L184-I190 HydrophobicContact CD2-CG2 3.87Å; L184-I190 HydrophobicContact CG-CG2 3.98Å
185Y98.9Very high98.8Very high64 Ų6441.3 Ų41.325%0.25122%0.22SC..Hα-helixtrans-65-44.9177.7-178.8-89000111.8R86 P88 K91 D92 R181 A182 C183 G187R86-Y185 HydrophobicContact CB-CD1 4.26Å; R86-Y185 HydrophobicContact CB-CE1 3.98Å; R86-Y185 WeakPolarHBondContact CD-O 3.46Å; R86-Y185 PolarHBondContact NH1-O 3.36Å; R86-Y185 PolarHBondContact NH2-OH 2.95Å; P88-Y185 HydrophobicContact CB-CD1 3.95Å; K91-Y185 WeakPolarHBondContact CA-OH 3.17Å; D92-Y185 VanDerWaalsContact CG-OH 3.27Å; D92-Y185 PolarHBondContact N-OH 3.49Å; D92-Y185 PolarHBondContact OD2-OH 2.65Å; R181-Y185 WeakPolarHBondContact O-CB 3.4Å; R181-Y185 PolarHBondContact O-N 3.25Å; A182-Y185 PolarHBondContact O-N 2.51Å; C183-Y185 VanDerWaalsContact C-N 3.33Å; C183-Y185 PolarHBondContact O-N 3.32Å; Y185-G187 PolarHBondContact O-N 3.15Å
186A98.9Very high98.8Very high4 Ų441.9 Ų41.93%0.03322%0.223CC..Hα-helixtrans-61.6-27.9-179.800000112.6F85 R86 P88 A182 C183 V188 I224F85-A186 HydrophobicContact CB-CB 4.35Å; F85-A186 WeakPolarHBondContact CD1-O 3.3Å; R86-A186 PolarHBondContact N-O 2.77Å; R86-A186 VanDerWaalsContact N-O 3.16Å; R86-A186 WeakPolarHBondContact O-CA 3.38Å; R86-A186 WeakPolarHBondContact O-CB 3.25Å; P88-A186 HydrophobicContact CG-CB 4.44Å; A182-A186 VanDerWaalsContact O-CB 3.27Å; A182-A186 WeakPolarHBondContact O-CB 3.45Å; A182-A186 PolarHBondContact O-N 2.91Å; C183-A186 PolarHBondContact O-N 3.23Å; A186-V188 HydrophobicContact CB-CG2 4.22Å; A186-I224 HydrophobicContact CB-CD1 3.83Å
187G98.8Very high98.7Very high46 Ų4642.9 Ų42.947%0.47423%0.229SC..THydrogen-bonded Turntrans93.416.4-171.200000112.9C183 L184 Y185 H217C183-G187 PolarHBondContact O-N 2.75Å; C183-G187 VanDerWaalsContact O-N 3.08Å; L184-G187 PolarHBondContact O-N 3.38Å; Y185-G187 PolarHBondContact O-N 3.15Å; G187-H217 PolarHBondContact O-CE1 2.86Å
188V98.9Very high98.7Very high5 Ų537.7 Ų37.73%0.0321%0.205CC..  trans-68.6135.6170.6173.40000108.6F85 C183 A186 I190 V220 A221 I224F85-V188 HydrophobicContact CD1-CG2 4.19Å; F85-V188 HydrophobicContact CE1-CG2 4.14Å; C183-V188 HydrophobicContact CB-CB 3.91Å; C183-V188 HydrophobicContact CB-CG1 4.21Å; C183-V188 PolarHBondContact O-N 3.21Å; A186-V188 HydrophobicContact CB-CG2 4.22Å; V188-I190 PolarHBondContact O-N 2.9Å; V188-V220 HydrophobicContact CG2-CG1 3.97Å; V188-A221 HydrophobicContact CG1-CB 3.97Å; V188-I224 HydrophobicContact CG2-CD1 4.04Å
189Q98.8Very high98.7Very high82 Ų8236 Ų3638%0.38319%0.191SC..  trans-78.152-178.1-151.6-179.8600112.1V206 G207 P208 C209 H217Q189-V206 WeakPolarHBondContact O-CA 3.21Å; Q189-G207 PolarHBondContact O-N 3.1Å; Q189-P208 PolarHBondContact NE2-O 3.43Å; Q189-P208 PolarHBondContact OE1-O 3.46Å; Q189-C209 PolarHBondContact OE1-SG 2.87Å; Q189-H217 PolarHBondContact N-ND1 3.14Å
190I98.8Very high98.7Very high14 Ų1436.2 Ų36.27%0.07219%0.192CC..EExtended strand (participates in β ladder)trans-68.4131173.2-169.8173000109.5Y180 C183 L184 V188 T193 F204 Q205Y180-I190 HydrophobicContact CD1-CD1 3.89Å; Y180-I190 HydrophobicContact CD1-CG1 4.45Å; Y180-I190 HydrophobicContact CD1-CG2 3.97Å; Y180-I190 HydrophobicContact CD2-CD1 4.33Å; Y180-I190 HydrophobicContact CE1-CD1 4.19Å; Y180-I190 HydrophobicContact CE1-CG1 4.27Å; Y180-I190 HydrophobicContact CE1-CG2 3.78Å; Y180-I190 HydrophobicContact CG-CD1 3.93Å; C183-I190 HydrophobicContact CB-CB 4.04Å; C183-I190 HydrophobicContact CB-CD1 4.13Å; C183-I190 HydrophobicContact CB-CG2 3.72Å; L184-I190 HydrophobicContact CD2-CG2 3.87Å; L184-I190 HydrophobicContact CG-CG2 3.98Å; V188-I190 PolarHBondContact O-N 2.9Å; I190-T193 HydrophobicContact CD1-CG2 4.23Å; I190-F204 HydrophobicContact CD1-CB 4.26Å; I190-Q205 CarbonylContact C-O 3.14Å; I190-Q205 WeakPolarHBondContact CA-O 3.46Å; I190-Q205 WeakPolarHBondContact CG1-O 3.35Å
191C97.6Very high98.7Very high74 Ų7433.5 Ų33.550%0.518%0.182SC..EExtended strand (participates in β ladder)trans-118.6-8.6-175.559.80000114.7Q205 G207C191-Q205 PolarHBondContact N-O 3.41Å; C191-Q205 WeakPolarHBondContact SG-CB 3.43Å; C191-Q205 PolarHBondContact SG-O 3.36Å; C191-G207 WeakPolarHBondContact CB-O 3.09Å; C191-G207 PolarHBondContact SG-O 2.84Å
192G98.6Very high98.7Very high11 Ų1125 Ų2511%0.11315%0.15CC..EExtended strand (participates in β ladder)trans177.2177.7173.800000113.2F204 Q205G192-F204 WeakPolarHBondContact O-CA 3.26Å; G192-Q205 PolarHBondContact O-N 2.88Å; G192-Q205 PolarHBondContact O-OE1 3.2Å
193T98.9Very high98.7Very high43 Ų4324.9 Ų24.926%0.26415%0.147SC..EExtended strand (participates in β ladder)trans-154.9153.2174.856.10000110.6V176 Y180 I190 E203 F204 Q205V176-T193 HydrophobicContact CG1-CG2 4.09Å; Y180-T193 HydrophobicContact CD2-CG2 3.44Å; Y180-T193 VanDerWaalsContact CD2-CG2 3.44Å; Y180-T193 WeakPolarHBondContact CD2-OG1 3.13Å; Y180-T193 HydrophobicContact CE2-CG2 3.8Å; Y180-T193 HydrophobicContact CG-CG2 4.3Å; I190-T193 HydrophobicContact CD1-CG2 4.23Å; T193-E203 WeakPolarHBondContact CA-O 3.13Å; T193-E203 WeakPolarHBondContact CB-O 3.32Å; T193-F204 HydrophobicContact CG2-CB 3.8Å; T193-Q205 VanDerWaalsContact N-OE1 3.16Å
194N98.8Very high98.7Very high29 Ų2924.9 Ų24.916%0.15515%0.147CC..EExtended strand (participates in β ladder)trans-147.7158.8168.154.9-82.7000111.8E196 E203 Q205N194-E196 PolarHBondContact ND2-OE1 3.44Å; N194-E203 PolarHBondContact N-O 3.39Å; N194-E203 VanDerWaalsContact N-O 3.1Å; N194-E203 PolarHBondContact O-N 3.01Å; N194-Q205 PolarHBondContact OD1-NE2 3Å
195A98.8Very high98.7Very high7 Ų722.5 Ų22.56%0.05813%0.134CC..EExtended strand (participates in β ladder)trans-74.6133.1163.900000108.4Y162 C163 W202Y162-A195 WeakPolarHBondContact CD2-O 3.39Å; C163-A195 PolarHBondContact N-O 2.99Å; A195-W202 HydrophobicContact CB-CD2 4.31Å; A195-W202 HydrophobicContact CB-CE3 3.75Å; A195-W202 HydrophobicContact CB-CH2 3.91Å; A195-W202 HydrophobicContact CB-CZ2 4.44Å; A195-W202 HydrophobicContact CB-CZ3 3.54Å
196E98.6Very high98.7Very high16 Ų1619.4 Ų19.48%0.07512%0.122CC..  trans-88.4176.5-178.1-99-51.7126.900112.8E136 Y162 N194 M198 Q201 E203E136-E196 HydrophobicContact CG-CG 4.13Å; Y162-E196 PolarHBondContact N-O 2.87Å; N194-E196 PolarHBondContact ND2-OE1 3.44Å; E196-M198 PolarHBondContact O-N 3.39Å; E196-Q201 HydrophobicContact CB-CB 3.79Å; E196-Q201 HydrophobicContact CB-CG 3.61Å; E196-Q201 HydrophobicContact CG-CG 4.29Å; E196-Q201 PolarHBondContact N-O 2.73Å; E196-E203 HydrophobicContact CG-CB 4.07Å
197V97.9Very high98.6Very high23 Ų2319.4 Ų19.414%0.13912%0.122CC..SBendtrans-63.1-38.7-174179.40000112.9Q158 Y161 Y162 N248Q158-V197 HydrophobicContact CB-CG1 3.99Å; Q158-V197 HydrophobicContact CG-CG1 4.36Å; Y161-V197 WeakPolarHBondContact CD2-O 3.34Å; Y162-V197 HydrophobicContact CD2-CG2 4.06Å; Y162-V197 HydrophobicContact CG-CG2 4.39Å; V197-N248 HydrophobicContact CB-CB 4.29Å
198M98.5Very high98.6Very high0 Ų021 Ų210%012%0.124CC..SBendtrans-81.4134.3176.1178.1-173.9158.600110T138 P146 W149 E196 A200 Q201 P242 I243 W247 N248T138-M198 HydrophobicContact CG2-CE 3.88Å; P146-M198 HydrophobicContact CB-CE 4.12Å; P146-M198 HydrophobicContact CG-CE 3.77Å; W149-M198 HydrophobicContact CH2-CE 3.84Å; W149-M198 HydrophobicContact CZ2-CE 3.41Å; W149-M198 VanDerWaalsContact CZ2-CE 3.41Å; W149-M198 HydrophobicContact CZ2-CG 4Å; W149-M198 HydrophobicContact CZ2-SD 4.45Å; E196-M198 PolarHBondContact O-N 3.39Å; M198-A200 PolarHBondContact O-N 3.43Å; M198-Q201 HydrophobicContact CB-CB 3.81Å; M198-Q201 VanDerWaalsContact CB-OE1 3.28Å; M198-Q201 HydrophobicContact CG-CB 4.43Å; M198-Q201 WeakPolarHBondContact O-CA 3.31Å; M198-Q201 WeakPolarHBondContact O-CB 3.42Å; M198-Q201 PolarHBondContact O-N 2.99Å; M198-P242 HydrophobicContact SD-CG 4.43Å; M198-I243 HydrophobicContact CE-CB 4.21Å; M198-I243 HydrophobicContact CE-CG1 3.48Å; M198-I243 VanDerWaalsContact CE-CG1 3.48Å; M198-I243 HydrophobicContact SD-CG1 4.48Å; M198-W247 HydrophobicContact CG-CE3 4.07Å; M198-W247 HydrophobicContact SD-CB 4.23Å; M198-N248 HydrophobicContact CB-CB 4.41Å
199P98.4Very high98.6Very high1 Ų120.9 Ų20.91%0.00612%0.123CC..THydrogen-bonded Turntrans-61.9135.6176.219.8-25000110.8W149 P155 Y161 Y171 Q201 W247W149-P199 HydrophobicContact CZ2-CG 3.86Å; W149-P199 PolarHBondContact NE1-O 2.83Å; P155-P199 HydrophobicContact CB-CG 4.35Å; P155-P199 HydrophobicContact CG-CB 4.38Å; P155-P199 HydrophobicContact CG-CG 3.47Å; P155-P199 VanDerWaalsContact CG-CG 3.47Å; Y161-P199 HydrophobicContact CD1-CB 3.72Å; Y161-P199 HydrophobicContact CD1-CG 4.24Å; Y161-P199 HydrophobicContact CD2-CB 4.16Å; Y161-P199 VanDerWaalsContact CD2-CD 3.5Å; Y161-P199 HydrophobicContact CD2-CG 3.89Å; Y161-P199 HydrophobicContact CE1-CB 3.85Å; Y161-P199 HydrophobicContact CE1-CG 4.1Å; Y161-P199 HydrophobicContact CE2-CB 4.26Å; Y161-P199 HydrophobicContact CE2-CG 3.71Å; Y161-P199 HydrophobicContact CG-CB 3.87Å; Y161-P199 HydrophobicContact CG-CG 4.14Å; Y171-P199 HydrophobicContact CD2-CB 3.95Å; Y171-P199 HydrophobicContact CE2-CB 3.72Å; P199-Q201 PolarHBondContact O-N 3.06Å; P199-W247 HydrophobicContact CG-CZ3 3.98Å
200A98.4Very high98.6Very high3 Ų320.1 Ų20.13%0.02512%0.12CC..THydrogen-bonded Turntrans73.31.7-169.500000115.6I139 P146 F147 Y171 M198I139-A200 PolarHBondContact N-O 3.22Å; P146-A200 HydrophobicContact CB-CB 4.45Å; F147-A200 WeakPolarHBondContact O-CB 3.46Å; Y171-A200 HydrophobicContact CD2-CB 4.48Å; M198-A200 PolarHBondContact O-N 3.43Å
201Q98.9Very high98.6Very high2 Ų219.8 Ų19.81%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-90.5142.1167.7-163.9-176.625.900110Y137 E196 M198 P199 G249Y137-Q201 CarbonylContact O-C 3.41Å; Y137-Q201 VanDerWaalsContact O-CA 3.27Å; Y137-Q201 WeakPolarHBondContact O-CA 3.47Å; Y137-Q201 VanDerWaalsContact O-CG 3.23Å; Y137-Q201 WeakPolarHBondContact O-CG 3.47Å; E196-Q201 HydrophobicContact CB-CB 3.79Å; E196-Q201 HydrophobicContact CB-CG 3.61Å; E196-Q201 HydrophobicContact CG-CG 4.29Å; E196-Q201 PolarHBondContact N-O 2.73Å; M198-Q201 HydrophobicContact CB-CB 3.81Å; M198-Q201 VanDerWaalsContact CB-OE1 3.28Å; M198-Q201 HydrophobicContact CG-CB 4.43Å; M198-Q201 WeakPolarHBondContact O-CA 3.31Å; M198-Q201 WeakPolarHBondContact O-CB 3.42Å; M198-Q201 PolarHBondContact O-N 2.99Å; P199-Q201 PolarHBondContact O-N 3.06Å; Q201-G249 PolarHBondContact NE2-O 2.79Å
202W98.9Very high98.7Very high4 Ų417.6 Ų17.62%0.01510%0.103CC..EExtended strand (participates in β ladder)trans-143.4163.3-177.8-66.289.5000109.9E136 Y137 A170 Y171 R173 V176 A195E136-W202 CarbonylContact C-O 3.54Å; E136-W202 WeakPolarHBondContact CA-O 3.4Å; Y137-W202 HydrophobicContact CD1-CB 4.37Å; Y137-W202 WeakPolarHBondContact CD1-O 3.41Å; Y137-W202 HydrophobicContact CE1-CB 3.67Å; Y137-W202 HydrophobicContact CE2-CB 3.91Å; Y137-W202 VanDerWaalsContact CZ-CB 3.45Å; Y137-W202 PolarHBondContact N-O 2.59Å; Y137-W202 PolarHBondContact O-N 3.08Å; A170-W202 HydrophobicContact CB-CH2 4.08Å; A170-W202 HydrophobicContact CB-CZ2 4.24Å; Y171-W202 WeakPolarHBondContact O-CZ2 3.39Å; Y171-W202 PolarHBondContact O-NE1 2.86Å; R173-W202 HydrophobicContact CB-CH2 3.87Å; R173-W202 HydrophobicContact CB-CZ2 4.16Å; R173-W202 HydrophobicContact CG-CH2 4.09Å; V176-W202 HydrophobicContact CB-CE3 4.26Å; V176-W202 HydrophobicContact CB-CZ3 4.43Å; V176-W202 HydrophobicContact CG1-CE3 4.08Å; V176-W202 HydrophobicContact CG1-CZ3 4.34Å; V176-W202 HydrophobicContact CG2-CB 4.26Å; V176-W202 HydrophobicContact CG2-CD2 3.31Å; V176-W202 HydrophobicContact CG2-CE3 3.39Å; V176-W202 HydrophobicContact CG2-CG 3.7Å; V176-W202 HydrophobicContact CG2-CH2 4.21Å; V176-W202 HydrophobicContact CG2-CZ2 4.16Å; V176-W202 HydrophobicContact CG2-CZ3 3.84Å; A195-W202 HydrophobicContact CB-CD2 4.31Å; A195-W202 HydrophobicContact CB-CE3 3.75Å; A195-W202 HydrophobicContact CB-CH2 3.91Å; A195-W202 HydrophobicContact CB-CZ2 4.44Å; A195-W202 HydrophobicContact CB-CZ3 3.54Å
203E98.9Very high98.7Very high10 Ų1020.5 Ų20.55%0.04712%0.116CC..EExtended strand (participates in β ladder)trans-130.7144.3174.9-168-177.6116.400110.5E134 Q135 E136 T193 N194 E196 Q205E134-E203 HydrophobicContact CB-CG 4.36Å; E134-E203 WeakPolarHBondContact CB-OE1 3.12Å; E134-E203 WeakPolarHBondContact CG-OE1 3.33Å; Q135-E203 VanDerWaalsContact O-CA 3.32Å; Q135-E203 WeakPolarHBondContact O-CA 3.36Å; E136-E203 HydrophobicContact CG-CB 4.26Å; E136-E203 HydrophobicContact CG-CG 3.99Å; E136-E203 WeakPolarHBondContact CG-OE2 3.23Å; T193-E203 WeakPolarHBondContact CA-O 3.13Å; T193-E203 WeakPolarHBondContact CB-O 3.32Å; N194-E203 PolarHBondContact N-O 3.39Å; N194-E203 VanDerWaalsContact N-O 3.1Å; N194-E203 PolarHBondContact O-N 3.01Å; E196-E203 HydrophobicContact CG-CB 4.07Å; E203-Q205 WeakPolarHBondContact OE1-CG 3.35Å; E203-Q205 PolarHBondContact OE1-NE2 3.12Å
204F98.9Very high98.7Very high0 Ų018.4 Ų18.40%010%0.103CC..EExtended strand (participates in β ladder)trans-127.7143.8160.968.4-92.3000110.3Q135 Y137 H179 I190 G192 T193 V206 L218 A221 L225Q135-F204 HydrophobicContact CB-CD1 4.05Å; Q135-F204 HydrophobicContact CB-CD2 4.18Å; Q135-F204 HydrophobicContact CB-CE1 3.64Å; Q135-F204 HydrophobicContact CB-CE2 3.78Å; Q135-F204 HydrophobicContact CB-CG 4.31Å; Q135-F204 HydrophobicContact CB-CZ 3.51Å; Q135-F204 HydrophobicContact CG-CD1 4.14Å; Q135-F204 HydrophobicContact CG-CE1 3.35Å; Q135-F204 HydrophobicContact CG-CE2 4.21Å; Q135-F204 HydrophobicContact CG-CZ 3.41Å; Q135-F204 VanDerWaalsContact CG-CZ 3.41Å; Q135-F204 PolarHBondContact N-O 3.11Å; Q135-F204 PolarHBondContact O-N 3.37Å; Y137-F204 HydrophobicContact CD1-CD1 4.01Å; Y137-F204 HydrophobicContact CD1-CE1 4.21Å; Y137-F204 AromaticContact CE1-CD1 3.73Å; Y137-F204 HydrophobicContact CE1-CD1 3.73Å; Y137-F204 HydrophobicContact CE1-CE1 4.28Å; H179-F204 AromaticContact CE1-CD1 3.69Å; H179-F204 AromaticContact CE1-CD2 3.94Å; H179-F204 AromaticContact CE1-CE1 3.93Å; H179-F204 AromaticContact CE1-CG 3.7Å; I190-F204 HydrophobicContact CD1-CB 4.26Å; G192-F204 WeakPolarHBondContact O-CA 3.26Å; T193-F204 HydrophobicContact CG2-CB 3.8Å; F204-V206 HydrophobicContact CD2-CG2 3.76Å; F204-V206 HydrophobicContact CE2-CG2 3.67Å; F204-L218 HydrophobicContact CE2-CD1 3.74Å; F204-L218 HydrophobicContact CZ-CD1 4.03Å; F204-A221 HydrophobicContact CD2-CB 4.46Å; F204-A221 HydrophobicContact CE2-CB 3.56Å; F204-A221 HydrophobicContact CZ-CB 3.99Å; F204-L225 HydrophobicContact CD1-CD2 4.32Å; F204-L225 HydrophobicContact CE1-CD2 3.75Å
205Q98.9Very high98.7Very high34 Ų3417 Ų1716%0.15910%0.096CC..EExtended strand (participates in β ladder)trans-106.5134.2179.3-56.889.643.200110.7M133 E134 I190 C191 G192 T193 N194 E203M133-Q205 WeakPolarHBondContact O-CA 3.34Å; E134-Q205 HydrophobicContact CB-CG 4.44Å; E134-Q205 HydrophobicContact CG-CG 3.81Å; I190-Q205 CarbonylContact C-O 3.14Å; I190-Q205 WeakPolarHBondContact CA-O 3.46Å; I190-Q205 WeakPolarHBondContact CG1-O 3.35Å; C191-Q205 PolarHBondContact N-O 3.41Å; C191-Q205 WeakPolarHBondContact SG-CB 3.43Å; C191-Q205 PolarHBondContact SG-O 3.36Å; G192-Q205 PolarHBondContact O-N 2.88Å; G192-Q205 PolarHBondContact O-OE1 3.2Å; T193-Q205 VanDerWaalsContact N-OE1 3.16Å; N194-Q205 PolarHBondContact OD1-NE2 3Å; E203-Q205 WeakPolarHBondContact OE1-CG 3.35Å; E203-Q205 PolarHBondContact OE1-NE2 3.12Å
206V98.9Very high98.7Very high0 Ų016.8 Ų16.80%09%0.093CC..EExtended strand (participates in β ladder)trans-117.6128.7174.7178.80000109G132 M133 Q189 F204 M214 H217 L218 A221G132-V206 CarbonylContact C-O 3.49Å; G132-V206 WeakPolarHBondContact CA-O 3.33Å; M133-V206 PolarHBondContact N-O 2.95Å; M133-V206 PolarHBondContact O-N 3.25Å; Q189-V206 WeakPolarHBondContact O-CA 3.21Å; F204-V206 HydrophobicContact CD2-CG2 3.76Å; F204-V206 HydrophobicContact CE2-CG2 3.67Å; V206-M214 HydrophobicContact CB-CE 3.69Å; V206-M214 HydrophobicContact CG1-CE 3.46Å; V206-M214 VanDerWaalsContact CG1-CE 3.46Å; V206-H217 HydrophobicContact CG1-CB 3.7Å; V206-L218 HydrophobicContact CG2-CD1 4.15Å; V206-A221 HydrophobicContact CG2-CB 4.1Å
207G97.9Very high98.7Very high4 Ų417.2 Ų17.24%0.04110%0.095CC..EExtended strand (participates in β ladder)trans128.4-177.8175.900000113.9Q189 C191Q189-G207 PolarHBondContact O-N 3.1Å; C191-G207 WeakPolarHBondContact CB-O 3.09Å; C191-G207 PolarHBondContact SG-O 2.84Å
208P98.5Very high98.8Very high80 Ų8016.1 Ų16.152%0.5199%0.089SC..EExtended strand (participates in β ladder)cis-71.9123.14.5-1832000113.2W130 F131 Q189W130-P208 HydrophobicContact CB-CB 4.45Å; W130-P208 HydrophobicContact CD2-CB 4.47Å; W130-P208 HydrophobicContact CE3-CB 4.19Å; F131-P208 CarbonylContact O-C 3.55Å; F131-P208 VanDerWaalsContact O-CA 3.27Å; F131-P208 WeakPolarHBondContact O-CA 3.47Å; Q189-P208 PolarHBondContact NE2-O 3.43Å; Q189-P208 PolarHBondContact OE1-O 3.46Å
209C98.8Very high98.8Very high1 Ų116.3 Ų16.31%0.0079%0.089CC..EExtended strand (participates in β ladder)trans-103.6139.4174.4-62.50000110.4W130 F131 Q189 N213 M214W130-C209 WeakPolarHBondContact CA-O 3.48Å; F131-C209 PolarHBondContact N-O 3.17Å; F131-C209 PolarHBondContact O-N 3.06Å; Q189-C209 PolarHBondContact OE1-SG 2.87Å; C209-N213 HydrophobicContact CB-CB 4.24Å; C209-M214 HydrophobicContact CB-CB 3.88Å; C209-M214 HydrophobicContact CB-SD 3.92Å
210E98.9Very high98.8Very high67 Ų6716.3 Ų16.331%0.3139%0.089SC..EExtended strand (participates in β ladder)trans-88.4128.4175.8-171.6159.9154.300111.9H128 P129 W130 I212 N213H128-E210 IonicContact CE1-OE1 3.9Å; H128-E210 IonicContact CG-OE1 3.94Å; H128-E210 IonicContact ND1-OE1 3.43Å; H128-E210 PolarHBondContact ND1-OE1 2.95Å; H128-E210 IonicContact ND1-OE2 3.51Å; P129-E210 WeakPolarHBondContact O-CA 3.45Å; W130-E210 PolarHBondContact NE1-OE2 2.84Å; E210-I212 PolarHBondContact O-N 3.28Å; E210-N213 WeakPolarHBondContact O-CB 3.47Å; E210-N213 PolarHBondContact O-N 3.43Å
211G98.8Very high98.8Very high7 Ų716.1 Ų16.17%0.0729%0.088CC..THydrogen-bonded Turntrans52.2-126.2172.800000114.4M121 P129 N213 M214M121-G211 VanDerWaalsContact SD-CA 3.59Å; P129-G211 PolarHBondContact O-N 3.28Å; G211-N213 PolarHBondContact O-N 3.17Å; G211-N213 VanDerWaalsContact O-N 3.13Å; G211-M214 PolarHBondContact O-N 2.92Å
212I98.8Very high98.8Very high27 Ų2716.2 Ų16.214%0.1389%0.088CC..THydrogen-bonded Turntrans-61.6-22.8-175-161.459.2000113.5R114 C117 K118 E210 M214 G215 D216 Y349R114-I212 HydrophobicContact CG-CD1 3.97Å; R114-I212 HydrophobicContact CG-CG1 4.33Å; C117-I212 HydrophobicContact CB-CD1 4.01Å; K118-I212 HydrophobicContact CB-CD1 3.89Å; K118-I212 HydrophobicContact CB-CG1 4.06Å; K118-I212 HydrophobicContact CG-CG1 4.39Å; E210-I212 PolarHBondContact O-N 3.28Å; I212-M214 PolarHBondContact O-N 3.16Å; I212-G215 PolarHBondContact O-N 3.1Å; I212-D216 PolarHBondContact O-N 2.8Å; I212-Y349 HydrophobicContact CD1-CD1 3.75Å; I212-Y349 HydrophobicContact CD1-CE1 3.77Å; I212-Y349 HydrophobicContact CG1-CE1 4.36Å
213N98.8Very high98.8Very high72 Ų7216.4 Ų16.439%0.3859%0.089SC..Hα-helixtrans-63-27.3-178.4-65.9-21.5000111.8C209 E210 G211 G215 D216 H217C209-N213 HydrophobicContact CB-CB 4.24Å; E210-N213 WeakPolarHBondContact O-CB 3.47Å; E210-N213 PolarHBondContact O-N 3.43Å; G211-N213 PolarHBondContact O-N 3.17Å; G211-N213 VanDerWaalsContact O-N 3.13Å; N213-G215 PolarHBondContact O-N 3.24Å; N213-D216 PolarHBondContact O-N 3.29Å; N213-H217 WeakPolarHBondContact O-CB 3.5Å; N213-H217 PolarHBondContact O-CD2 3.45Å; N213-H217 PolarHBondContact O-N 2.78Å
214M98.9Very high98.8Very high0 Ų015.9 Ų15.90%09%0.087CC..Hα-helixtrans-59.8-48.6179.4-174.368-103.800112F131 M133 V206 C209 G211 I212 L218 T352F131-M214 HydrophobicContact CB-CB 3.84Å; F131-M214 HydrophobicContact CB-CG 3.46Å; F131-M214 VanDerWaalsContact CB-CG 3.46Å; F131-M214 HydrophobicContact CB-SD 3.6Å; F131-M214 VanDerWaalsContact CB-SD 3.6Å; F131-M214 HydrophobicContact CD2-CB 4.16Å; F131-M214 HydrophobicContact CG-CB 4.28Å; F131-M214 HydrophobicContact CG-CG 4.21Å; M133-M214 HydrophobicContact CB-CE 3.9Å; M133-M214 HydrophobicContact CB-SD 4.32Å; M133-M214 HydrophobicContact CG-CE 3.96Å; M133-M214 HydrophobicContact CG-CG 4.05Å; M133-M214 HydrophobicContact CG-SD 3.86Å; M133-M214 HydrophobicContact SD-CE 4.21Å; M133-M214 HydrophobicContact SD-CG 3.75Å; M133-M214 HydrophobicContact SD-SD 4.3Å; V206-M214 HydrophobicContact CB-CE 3.69Å; V206-M214 HydrophobicContact CG1-CE 3.46Å; V206-M214 VanDerWaalsContact CG1-CE 3.46Å; C209-M214 HydrophobicContact CB-CB 3.88Å; C209-M214 HydrophobicContact CB-SD 3.92Å; G211-M214 PolarHBondContact O-N 2.92Å; I212-M214 PolarHBondContact O-N 3.16Å; M214-L218 HydrophobicContact CE-CB 4.07Å; M214-L218 WeakPolarHBondContact O-CB 3.47Å; M214-L218 PolarHBondContact O-N 2.9Å; M214-T352 HydrophobicContact CB-CG2 4.19Å; M214-T352 HydrophobicContact CG-CG2 3.95Å
215G98.9Very high98.8Very high0 Ų015.9 Ų15.90%09%0.087CC..Hα-helixtrans-67-42.5178.300000112.3I212 N213 H217 L218 W219I212-G215 PolarHBondContact O-N 3.1Å; N213-G215 PolarHBondContact O-N 3.24Å; G215-H217 PolarHBondContact O-N 3.41Å; G215-L218 PolarHBondContact O-N 3.03Å; G215-W219 WeakPolarHBondContact O-CB 3.41Å; G215-W219 VanDerWaalsContact O-CD1 3.28Å; G215-W219 PolarHBondContact O-N 3.02Å
216D98.9Very high98.8Very high2 Ų217.6 Ų17.61%0.01110%0.095CC..Hα-helixtrans-56.1-49.4177-74.46.9000111.5V83 R114 I212 N213 V220 Y349V83-D216 HydrophobicContact CB-CB 4.48Å; V83-D216 HydrophobicContact CG1-CB 3.91Å; R114-D216 IonicContact CZ-OD1 3.52Å; R114-D216 IonicContact CZ-OD2 3.16Å; R114-D216 IonicContact NE-OD1 2.98Å; R114-D216 PolarHBondContact NE-OD1 3.27Å; R114-D216 IonicContact NE-OD2 3.89Å; R114-D216 IonicContact NH2-OD1 2.7Å; R114-D216 PolarHBondContact NH2-OD1 3.08Å; R114-D216 IonicContact NH2-OD2 3.22Å; R114-D216 PolarHBondContact NH2-OD2 3.01Å; I212-D216 PolarHBondContact O-N 2.8Å; N213-D216 PolarHBondContact O-N 3.29Å; D216-V220 WeakPolarHBondContact O-CG2 3.37Å; D216-V220 PolarHBondContact O-N 3.12Å; D216-Y349 WeakPolarHBondContact CA-OH 3.48Å; D216-Y349 PolarHBondContact N-OH 3.41Å; D216-Y349 WeakPolarHBondContact OD1-CE1 3.48Å; D216-Y349 PolarHBondContact OD1-OH 3.35Å
217H98.9Very high98.8Very high25 Ų2519.5 Ų19.512%0.11610%0.102CC..Hα-helixtrans-70.5-41.4-179.2-81.6-100000112.8F85 G187 Q189 V206 N213 G215 A221F85-H217 AromaticContact CE1-CE1 3.66Å; F85-H217 AromaticContact CE1-ND1 3.88Å; F85-H217 AromaticContact CZ-CE1 3.97Å; G187-H217 PolarHBondContact O-CE1 2.86Å; Q189-H217 PolarHBondContact N-ND1 3.14Å; V206-H217 HydrophobicContact CG1-CB 3.7Å; N213-H217 WeakPolarHBondContact O-CB 3.5Å; N213-H217 PolarHBondContact O-CD2 3.45Å; N213-H217 PolarHBondContact O-N 2.78Å; G215-H217 PolarHBondContact O-N 3.41Å; H217-A221 VanDerWaalsContact O-CB 3.3Å; H217-A221 WeakPolarHBondContact O-CB 3.39Å; H217-A221 PolarHBondContact O-N 3.04Å
218L98.9Very high98.9Very high0 Ų019.7 Ų19.70%010%0.102CC..Hα-helixtrans-69.2-42.3-178.8-176.662.2000111.9M133 Q135 F204 V206 M214 G215 V220 A221 R222 P348M133-L218 HydrophobicContact CB-CD2 4.16Å; M133-L218 HydrophobicContact CE-CD2 3.74Å; M133-L218 HydrophobicContact SD-CD2 3.8Å; Q135-L218 HydrophobicContact CB-CD1 3.98Å; Q135-L218 HydrophobicContact CG-CD1 4.43Å; F204-L218 HydrophobicContact CE2-CD1 3.74Å; F204-L218 HydrophobicContact CZ-CD1 4.03Å; V206-L218 HydrophobicContact CG2-CD1 4.15Å; M214-L218 HydrophobicContact CE-CB 4.07Å; M214-L218 WeakPolarHBondContact O-CB 3.47Å; M214-L218 PolarHBondContact O-N 2.9Å; G215-L218 PolarHBondContact O-N 3.03Å; L218-V220 VanDerWaalsContact C-N 3.33Å; L218-V220 PolarHBondContact O-N 3.22Å; L218-A221 WeakPolarHBondContact O-CB 3.43Å; L218-A221 PolarHBondContact O-N 3.28Å; L218-R222 WeakPolarHBondContact O-CG 3.46Å; L218-R222 PolarHBondContact O-N 2.87Å; L218-P348 HydrophobicContact CB-CB 4.39Å; L218-P348 HydrophobicContact CB-CG 4.19Å; L218-P348 HydrophobicContact CD2-CB 3.85Å; L218-P348 HydrophobicContact CD2-CG 4.01Å; L218-P348 HydrophobicContact CG-CG 4.41Å
219W98.9Very high98.9Very high4 Ų416 Ų162%0.0158%0.078CC..Hα-helixtrans-61.8-41.3176.6-83.6119.6000112.3I33 G37 L40 F98 G215 R222 F223 D347 P348 Y349I33-W219 HydrophobicContact CD1-CD2 3.96Å; I33-W219 VanDerWaalsContact CD1-CE2 3.44Å; I33-W219 HydrophobicContact CD1-CG 4.34Å; I33-W219 HydrophobicContact CD1-CH2 4.34Å; I33-W219 HydrophobicContact CD1-CZ2 3.67Å; I33-W219 HydrophobicContact CG1-CD2 4.24Å; I33-W219 HydrophobicContact CG1-CE3 4.45Å; I33-W219 HydrophobicContact CG1-CH2 4.46Å; I33-W219 HydrophobicContact CG1-CZ2 4.25Å; G37-W219 WeakPolarHBondContact O-CH2 3.17Å; L40-W219 HydrophobicContact CD1-CE3 4.06Å; L40-W219 HydrophobicContact CD1-CZ3 4.41Å; L40-W219 HydrophobicContact CD2-CE3 3.84Å; L40-W219 HydrophobicContact CD2-CZ3 4.27Å; L40-W219 HydrophobicContact CG-CE3 4.06Å; L40-W219 HydrophobicContact CG-CZ3 4.17Å; F98-W219 HydrophobicContact CE1-CB 4.38Å; F98-W219 HydrophobicContact CE2-CB 3.84Å; F98-W219 HydrophobicContact CE2-CG 4.35Å; F98-W219 HydrophobicContact CZ-CB 3.76Å; F98-W219 AromaticContact CZ-CG 3.94Å; F98-W219 HydrophobicContact CZ-CG 3.94Å; G215-W219 WeakPolarHBondContact O-CB 3.41Å; G215-W219 VanDerWaalsContact O-CD1 3.28Å; G215-W219 PolarHBondContact O-N 3.02Å; W219-R222 PolarHBondContact O-N 3.38Å; W219-F223 PolarHBondContact O-N 2.98Å; W219-D347 HydrophobicContact CZ2-CB 4.07Å; W219-D347 PolarHBondContact NE1-OD1 2.7Å; W219-P348 HydrophobicContact CG-CG 4.28Å; W219-Y349 AromaticContact CD1-CD2 3.83Å; W219-Y349 AromaticContact CD1-CE2 3.29Å; W219-Y349 AromaticContact CD1-CZ 3.91Å; W219-Y349 HydrophobicContact CG-CE2 4.47Å; W219-Y349 AromaticContact NE1-CD2 3.58Å; W219-Y349 AromaticContact NE1-CE2 3.51Å
220V98.9Very high98.9Very high0 Ų021.3 Ų21.30%010%0.103CC..Hα-helixtrans-69.3-36.6175174.90000111.5F85 L96 F98 V188 D216 L218 R222 F223 I224F85-V220 HydrophobicContact CD2-CB 4.25Å; F85-V220 HydrophobicContact CD2-CG1 3.86Å; F85-V220 HydrophobicContact CD2-CG2 3.89Å; F85-V220 HydrophobicContact CE2-CB 4.06Å; F85-V220 HydrophobicContact CE2-CG1 4.14Å; F85-V220 HydrophobicContact CE2-CG2 3.68Å; F85-V220 HydrophobicContact CG-CG1 4.21Å; L96-V220 HydrophobicContact CD1-CG1 4.33Å; F98-V220 HydrophobicContact CB-CG2 3.78Å; F98-V220 HydrophobicContact CD2-CG2 4.29Å; F98-V220 HydrophobicContact CG-CG2 4.13Å; V188-V220 HydrophobicContact CG2-CG1 3.97Å; D216-V220 WeakPolarHBondContact O-CG2 3.37Å; D216-V220 PolarHBondContact O-N 3.12Å; L218-V220 VanDerWaalsContact C-N 3.33Å; L218-V220 PolarHBondContact O-N 3.22Å; V220-R222 VanDerWaalsContact C-N 3.35Å; V220-R222 PolarHBondContact O-N 3.24Å; V220-F223 WeakPolarHBondContact O-CB 3.2Å; V220-F223 PolarHBondContact O-N 2.77Å; V220-I224 HydrophobicContact CG1-CD1 4.04Å; V220-I224 HydrophobicContact CG1-CG1 4.43Å; V220-I224 VanDerWaalsContact O-CG1 3.31Å; V220-I224 WeakPolarHBondContact O-CG1 3.34Å; V220-I224 PolarHBondContact O-N 3.26Å
221A98.9Very high98.9Very high0 Ų020.3 Ų20.30%010%0.1CC..Hα-helixtrans-61.5-42.3173.300000112H179 V188 F204 V206 H217 L218 I224 L225H179-A221 PolarHBondContact NE2-O 3.45Å; V188-A221 HydrophobicContact CG1-CB 3.97Å; F204-A221 HydrophobicContact CD2-CB 4.46Å; F204-A221 HydrophobicContact CE2-CB 3.56Å; F204-A221 HydrophobicContact CZ-CB 3.99Å; V206-A221 HydrophobicContact CG2-CB 4.1Å; H217-A221 VanDerWaalsContact O-CB 3.3Å; H217-A221 WeakPolarHBondContact O-CB 3.39Å; H217-A221 PolarHBondContact O-N 3.04Å; L218-A221 WeakPolarHBondContact O-CB 3.43Å; L218-A221 PolarHBondContact O-N 3.28Å; A221-I224 PolarHBondContact O-N 2.79Å; A221-L225 PolarHBondContact O-N 2.83Å
222R98.9Very high98.9Very high3 Ų324.3 Ų24.31%0.01112%0.115CC..Hα-helixtrans-62.2-44173.5-71.4174.9175.9172.2-2.7111.4L40 L218 W219 V220 I224 L225 H226 F238 A344 C346L40-R222 HydrophobicContact CD1-CB 4.25Å; L218-R222 WeakPolarHBondContact O-CG 3.46Å; L218-R222 PolarHBondContact O-N 2.87Å; W219-R222 PolarHBondContact O-N 3.38Å; V220-R222 VanDerWaalsContact C-N 3.35Å; V220-R222 PolarHBondContact O-N 3.24Å; R222-I224 PolarHBondContact O-N 2.97Å; R222-L225 WeakPolarHBondContact O-CB 3.37Å; R222-L225 PolarHBondContact O-N 2.85Å; R222-H226 PolarHBondContact O-CD2 3.4Å; R222-H226 PolarHBondContact O-N 3.35Å; R222-F238 HydrophobicContact CB-CE2 3.97Å; R222-F238 HydrophobicContact CB-CZ 3.99Å; R222-F238 HydrophobicContact CG-CE1 4.46Å; R222-F238 HydrophobicContact CG-CE2 3.79Å; R222-F238 HydrophobicContact CG-CZ 3.67Å; R222-A344 PolarHBondContact NH2-O 3.07Å; R222-C346 VanDerWaalsContact CZ-O 3.26Å; R222-C346 PolarHBondContact NH1-O 2.63Å; R222-C346 PolarHBondContact NH2-O 3.24Å
223F98.9Very high98.9Very high8 Ų823.1 Ų23.14%0.03511%0.11CC..Hα-helixtrans-56.9-49.3174.7179.8-100.5000111.8M29 I31 L40 C42 F89 L96 W219 V220 L225 H226 R227M29-F223 HydrophobicContact SD-CE1 3.75Å; M29-F223 HydrophobicContact SD-CZ 3.41Å; M29-F223 WeakPolarHBondContact SD-CZ 3.41Å; I31-F223 HydrophobicContact CD1-CB 4.48Å; I31-F223 HydrophobicContact CD1-CD1 3.4Å; I31-F223 VanDerWaalsContact CD1-CD1 3.4Å; I31-F223 HydrophobicContact CD1-CD2 4.19Å; I31-F223 HydrophobicContact CD1-CE1 3.55Å; I31-F223 HydrophobicContact CD1-CE2 4.32Å; I31-F223 HydrophobicContact CD1-CG 3.75Å; I31-F223 HydrophobicContact CD1-CZ 4.03Å; I31-F223 HydrophobicContact CG1-CD1 4.15Å; I31-F223 HydrophobicContact CG1-CD2 4.14Å; I31-F223 HydrophobicContact CG1-CE1 4Å; I31-F223 HydrophobicContact CG1-CE2 4.01Å; I31-F223 HydrophobicContact CG1-CG 4.21Å; I31-F223 HydrophobicContact CG1-CZ 3.95Å; I31-F223 HydrophobicContact CG2-CB 4.37Å; I31-F223 HydrophobicContact CG2-CD2 3.71Å; I31-F223 HydrophobicContact CG2-CE2 4.21Å; I31-F223 HydrophobicContact CG2-CG 4.02Å; L40-F223 HydrophobicContact CB-CD2 4.38Å; L40-F223 HydrophobicContact CD1-CB 3.84Å; L40-F223 HydrophobicContact CD1-CD2 4.41Å; C42-F223 HydrophobicContact CB-CE2 3.82Å; C42-F223 HydrophobicContact CB-CZ 4Å; F89-F223 HydrophobicContact CE2-CE1 4.34Å; L96-F223 HydrophobicContact CD1-CD1 4.29Å; L96-F223 HydrophobicContact CD1-CE1 4.42Å; L96-F223 HydrophobicContact CD2-CE1 4.23Å; W219-F223 PolarHBondContact O-N 2.98Å; V220-F223 WeakPolarHBondContact O-CB 3.2Å; V220-F223 PolarHBondContact O-N 2.77Å; F223-L225 VanDerWaalsContact C-N 3.28Å; F223-L225 PolarHBondContact O-N 3.4Å; F223-H226 PolarHBondContact O-N 2.83Å; F223-R227 HydrophobicContact CD1-CG 4.05Å; F223-R227 HydrophobicContact CD2-CG 4.48Å; F223-R227 HydrophobicContact CE1-CG 3.53Å; F223-R227 HydrophobicContact CE2-CG 3.99Å; F223-R227 HydrophobicContact CG-CG 4.5Å; F223-R227 HydrophobicContact CZ-CG 3.48Å; F223-R227 VanDerWaalsContact CZ-CG 3.48Å; F223-R227 WeakPolarHBondContact O-CG 3.41Å; F223-R227 PolarHBondContact O-N 2.65Å
224I99Very high98.9Very high0 Ų020.1 Ų20.10%09%0.094CC..Hα-helixtrans-60.4-41.7178.9-67.3169.4000109.9P88 F89 L96 A182 A186 V188 V220 A221 R222 R227 V228P88-I224 HydrophobicContact CG-CD1 4.29Å; P88-I224 HydrophobicContact CG-CG1 4.36Å; P88-I224 HydrophobicContact CG-CG2 4.49Å; F89-I224 HydrophobicContact CE2-CG1 4.3Å; F89-I224 HydrophobicContact CZ-CB 4.25Å; F89-I224 HydrophobicContact CZ-CG1 4.32Å; F89-I224 HydrophobicContact CZ-CG2 3.9Å; L96-I224 HydrophobicContact CD1-CD1 4.33Å; L96-I224 HydrophobicContact CD1-CG1 4.11Å; A182-I224 HydrophobicContact CB-CG2 3.5Å; A186-I224 HydrophobicContact CB-CD1 3.83Å; V188-I224 HydrophobicContact CG2-CD1 4.04Å; V220-I224 HydrophobicContact CG1-CD1 4.04Å; V220-I224 HydrophobicContact CG1-CG1 4.43Å; V220-I224 VanDerWaalsContact O-CG1 3.31Å; V220-I224 WeakPolarHBondContact O-CG1 3.34Å; V220-I224 PolarHBondContact O-N 3.26Å; A221-I224 PolarHBondContact O-N 2.79Å; R222-I224 PolarHBondContact O-N 2.97Å; I224-R227 PolarHBondContact O-N 2.85Å; I224-V228 HydrophobicContact CG2-CG2 4.25Å; I224-V228 WeakPolarHBondContact O-CB 3.25Å; I224-V228 VanDerWaalsContact O-CG2 3.29Å; I224-V228 WeakPolarHBondContact O-CG2 3.4Å; I224-V228 PolarHBondContact O-N 2.87Å
225L98.9Very high98.8Very high0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-61-47.6177.4-175.756.1000111.9Y137 I175 H179 F204 A221 R222 F223 R227 V228 C229 V236 F238Y137-L225 HydrophobicContact CD1-CD2 3.84Å; Y137-L225 HydrophobicContact CD2-CD2 3.93Å; Y137-L225 HydrophobicContact CE1-CD2 3.87Å; Y137-L225 HydrophobicContact CE2-CD1 4.11Å; Y137-L225 HydrophobicContact CE2-CD2 3.92Å; Y137-L225 HydrophobicContact CG-CD2 3.86Å; I175-L225 HydrophobicContact CG2-CD1 3.98Å; H179-L225 HydrophobicContact CB-CD1 4.16Å; H179-L225 VanDerWaalsContact CD2-CA 3.47Å; H179-L225 WeakPolarHBondContact CD2-CA 3.34Å; H179-L225 PolarHBondContact CD2-N 3.01Å; F204-L225 HydrophobicContact CD1-CD2 4.32Å; F204-L225 HydrophobicContact CE1-CD2 3.75Å; A221-L225 PolarHBondContact O-N 2.83Å; R222-L225 WeakPolarHBondContact O-CB 3.37Å; R222-L225 PolarHBondContact O-N 2.85Å; F223-L225 VanDerWaalsContact C-N 3.28Å; F223-L225 PolarHBondContact O-N 3.4Å; L225-R227 VanDerWaalsContact C-N 3.33Å; L225-R227 PolarHBondContact O-N 2.95Å; L225-V228 PolarHBondContact O-N 2.79Å; L225-C229 WeakPolarHBondContact O-CB 3.38Å; L225-C229 PolarHBondContact O-N 2.78Å; L225-C229 PolarHBondContact O-SG 2.79Å; L225-V236 HydrophobicContact CD2-CG2 3.83Å; L225-V236 HydrophobicContact CG-CB 4.46Å; L225-V236 HydrophobicContact CG-CG1 4.28Å; L225-V236 HydrophobicContact CG-CG2 4.23Å; L225-F238 HydrophobicContact CD2-CE1 4.05Å; L225-F238 HydrophobicContact CD2-CZ 4.11Å
226H98.9Very high98.8Very high70 Ų7023.7 Ų23.732%0.32412%0.116SC..Hα-helixtrans-57.4-45.5175-76.8-66.4000112.1R222 F223 C229 E230 V236 F238R222-H226 PolarHBondContact O-CD2 3.4Å; R222-H226 PolarHBondContact O-N 3.35Å; F223-H226 PolarHBondContact O-N 2.83Å; H226-C229 PolarHBondContact O-N 2.91Å; H226-E230 WeakPolarHBondContact O-CB 3.48Å; H226-E230 PolarHBondContact O-N 2.87Å; H226-V236 WeakPolarHBondContact CE1-CG1 3.36Å; H226-V236 WeakPolarHBondContact ND1-CG1 3.38Å; H226-F238 AromaticContact NE2-CE2 3.37Å; H226-F238 WeakPolarHBondContact NE2-CE2 3.29Å
227R98.9Very high98.8Very high39 Ų3924.8 Ų24.815%0.14712%0.123CC..Hα-helixtrans-65.7-39.1179.9-72-64-56.4123.58.6112.9F89 F223 I224 L225 E230 D231F89-R227 HydrophobicContact CD1-CB 4.4Å; F89-R227 HydrophobicContact CD2-CB 4.47Å; F89-R227 HydrophobicContact CE1-CB 3.62Å; F89-R227 HydrophobicContact CE2-CB 3.69Å; F89-R227 HydrophobicContact CE2-CG 3.95Å; F89-R227 HydrophobicContact CZ-CB 3.22Å; F89-R227 HydrophobicContact CZ-CG 4.01Å; F223-R227 HydrophobicContact CD1-CG 4.05Å; F223-R227 HydrophobicContact CD2-CG 4.48Å; F223-R227 HydrophobicContact CE1-CG 3.53Å; F223-R227 HydrophobicContact CE2-CG 3.99Å; F223-R227 HydrophobicContact CG-CG 4.5Å; F223-R227 HydrophobicContact CZ-CG 3.48Å; F223-R227 VanDerWaalsContact CZ-CG 3.48Å; F223-R227 WeakPolarHBondContact O-CG 3.41Å; F223-R227 PolarHBondContact O-N 2.65Å; I224-R227 PolarHBondContact O-N 2.85Å; L225-R227 VanDerWaalsContact C-N 3.33Å; L225-R227 PolarHBondContact O-N 2.95Å; R227-E230 IonicContact CZ-OE1 3.74Å; R227-E230 IonicContact NH1-OE1 3.99Å; R227-E230 PolarHBondContact NH1-OE1 3.05Å; R227-E230 IonicContact NH1-OE2 3.41Å; R227-E230 PolarHBondContact NH1-OE2 3.01Å; R227-E230 PolarHBondContact O-N 3.35Å; R227-D231 PolarHBondContact O-N 3.38Å
228V98.9Very high98.8Very high9 Ų924.8 Ų24.86%0.05512%0.123CC..Hα-helixtrans-64-51.4173170.80000109.8F89 I175 A178 I224 L225 E230 D231 F232F89-V228 HydrophobicContact CE1-CG2 3.96Å; F89-V228 HydrophobicContact CZ-CG2 4.41Å; I175-V228 HydrophobicContact CG2-CG1 4.13Å; A178-V228 HydrophobicContact CB-CG1 3.88Å; I224-V228 HydrophobicContact CG2-CG2 4.25Å; I224-V228 WeakPolarHBondContact O-CB 3.25Å; I224-V228 VanDerWaalsContact O-CG2 3.29Å; I224-V228 WeakPolarHBondContact O-CG2 3.4Å; I224-V228 PolarHBondContact O-N 2.87Å; L225-V228 PolarHBondContact O-N 2.79Å; V228-E230 VanDerWaalsContact C-N 3.25Å; V228-E230 PolarHBondContact O-N 3.02Å; V228-D231 PolarHBondContact O-N 3.39Å; V228-F232 HydrophobicContact CG1-CD2 3.87Å; V228-F232 HydrophobicContact CG1-CE2 3.82Å; V228-F232 VanDerWaalsContact O-CD2 3.3Å; V228-F232 WeakPolarHBondContact O-CD2 3.28Å; V228-F232 PolarHBondContact O-N 3.28Å
229C98.8Very high98.8Very high2 Ų226.9 Ų26.91%0.01413%0.134CC..Hα-helixtrans-56-38.8177.1-73.40000112.5I175 L225 H226 D231 F232 G233 V234I175-C229 VanDerWaalsContact CG2-SG 3.56Å; L225-C229 WeakPolarHBondContact O-CB 3.38Å; L225-C229 PolarHBondContact O-N 2.78Å; L225-C229 PolarHBondContact O-SG 2.79Å; H226-C229 PolarHBondContact O-N 2.91Å; C229-D231 PolarHBondContact O-N 3.21Å; C229-F232 CarbonylContact O-C 3.55Å; C229-F232 PolarHBondContact O-N 2.87Å; C229-G233 PolarHBondContact O-N 3.46Å; C229-V234 CarbonylContact C-O 3.47Å; C229-V234 HydrophobicContact CB-CG2 3.83Å; C229-V234 PolarHBondContact O-N 2.91Å
230E98.8Very high98.8Very high113 Ų11326.7 Ų26.753%0.52813%0.134SC..Hα-helixtrans-61-42.3175.8-166.7-166.8106.100112.1H226 R227 V228 F232 G233H226-E230 WeakPolarHBondContact O-CB 3.48Å; H226-E230 PolarHBondContact O-N 2.87Å; R227-E230 IonicContact CZ-OE1 3.74Å; R227-E230 IonicContact NH1-OE1 3.99Å; R227-E230 PolarHBondContact NH1-OE1 3.05Å; R227-E230 IonicContact NH1-OE2 3.41Å; R227-E230 PolarHBondContact NH1-OE2 3.01Å; R227-E230 PolarHBondContact O-N 3.35Å; V228-E230 VanDerWaalsContact C-N 3.25Å; V228-E230 PolarHBondContact O-N 3.02Å; E230-F232 VanDerWaalsContact C-N 3.32Å; E230-F232 PolarHBondContact O-N 2.79Å; E230-G233 PolarHBondContact O-N 2.98Å; E230-G233 VanDerWaalsContact O-N 3.11Å
231D98.7Very high98.7Very high46 Ų4628 Ų2825%0.24614%0.139CC..Hα-helixtrans-64.5-37.2177.5-92-25.7000111.8K11 K14 R227 V228 C229 G233K11-D231 VanDerWaalsContact CE-O 3.28Å; K11-D231 WeakPolarHBondContact CE-O 3.5Å; K11-D231 PolarHBondContact NZ-O 2.97Å; K14-D231 IonicContact NZ-OD1 2.75Å; K14-D231 PolarHBondContact NZ-OD1 3.46Å; K14-D231 IonicContact NZ-OD2 3.8Å; K14-D231 PolarHBondContact NZ-OD2 2.82Å; K14-D231 VanDerWaalsContact NZ-OD2 3.11Å; R227-D231 PolarHBondContact O-N 3.38Å; V228-D231 PolarHBondContact O-N 3.39Å; C229-D231 PolarHBondContact O-N 3.21Å; D231-G233 VanDerWaalsContact C-N 3.34Å
232F98.6Very high98.6Very high90 Ų9029.5 Ų29.540%0.39515%0.149SC..Hα-helixtrans-78.7-13.6173.4-73.9-80.2000113.8S7 D174 I175 A178 V228 C229 E230 V234S7-F232 WeakPolarHBondContact CB-O 3.39Å; D174-F232 HydrophobicContact CB-CE1 3.91Å; D174-F232 HydrophobicContact CB-CZ 4.01Å; I175-F232 HydrophobicContact CG1-CB 4.11Å; I175-F232 HydrophobicContact CG1-CD1 4.5Å; I175-F232 HydrophobicContact CG1-CD2 3.73Å; I175-F232 HydrophobicContact CG1-CE2 4.28Å; I175-F232 HydrophobicContact CG1-CG 3.87Å; A178-F232 HydrophobicContact CB-CE2 4.06Å; A178-F232 HydrophobicContact CB-CZ 4.47Å; V228-F232 HydrophobicContact CG1-CD2 3.87Å; V228-F232 HydrophobicContact CG1-CE2 3.82Å; V228-F232 VanDerWaalsContact O-CD2 3.3Å; V228-F232 WeakPolarHBondContact O-CD2 3.28Å; V228-F232 PolarHBondContact O-N 3.28Å; C229-F232 CarbonylContact O-C 3.55Å; C229-F232 PolarHBondContact O-N 2.87Å; E230-F232 VanDerWaalsContact C-N 3.32Å; E230-F232 PolarHBondContact O-N 2.79Å; F232-V234 HydrophobicContact CB-CG2 4.38Å
233G98.6Very high98.5Very high2 Ų230.7 Ų30.72%0.02116%0.156CC..THydrogen-bonded Turntrans7331.9178.300000114.8T3 S4 C229 E230 D231T3-G233 CarbonylContact C-O 3.58Å; T3-G233 VanDerWaalsContact CA-O 3.32Å; T3-G233 WeakPolarHBondContact CA-O 3.32Å; S4-G233 PolarHBondContact N-O 3.37Å; S4-G233 WeakPolarHBondContact OG-CA 3.36Å; C229-G233 PolarHBondContact O-N 3.46Å; E230-G233 PolarHBondContact O-N 2.98Å; E230-G233 VanDerWaalsContact O-N 3.11Å; D231-G233 VanDerWaalsContact C-N 3.34Å
234V98.7Very high98.2Very high10 Ų1035.1 Ų35.16%0.06119%0.187CC..  trans-115.8164.1173.9-60.40000109.5I139 L140 F147 I175 C229 F232I139-V234 HydrophobicContact CG2-CB 3.82Å; I139-V234 HydrophobicContact CG2-CG1 4.29Å; I139-V234 HydrophobicContact CG2-CG2 3.7Å; L140-V234 WeakPolarHBondContact O-CB 3.5Å; F147-V234 HydrophobicContact CD2-CG1 3.61Å; F147-V234 HydrophobicContact CE2-CG1 3.74Å; F147-V234 HydrophobicContact CG-CG1 4.36Å; I175-V234 HydrophobicContact CD1-CG2 3.63Å; I175-V234 HydrophobicContact CG1-CG2 4.39Å; C229-V234 CarbonylContact C-O 3.47Å; C229-V234 HydrophobicContact CB-CG2 3.83Å; C229-V234 PolarHBondContact O-N 2.91Å; F232-V234 HydrophobicContact CB-CG2 4.38Å
235V98.4Very high97.9Very high66 Ų6637.6 Ų37.640%0.421%0.213SC..EExtended strand (participates in β ladder)trans-104142.5176178.10000108I139 L140I139-V235 CarbonylContact C-O 3.57Å; I139-V235 WeakPolarHBondContact CA-O 3.32Å; L140-V235 HydrophobicContact CB-CB 4.24Å; L140-V235 PolarHBondContact N-O 3.27Å; L140-V235 PolarHBondContact O-N 2.99Å
236V98.5Very high97.7Very high9 Ų943.3 Ų43.36%0.05524%0.243CC..EExtended strand (participates in β ladder)trans-104.9134.4165.855.70000108.6Y137 L225 H226 F238Y137-V236 HydrophobicContact CD2-CG2 3.5Å; Y137-V236 HydrophobicContact CE2-CG2 4.38Å; Y137-V236 HydrophobicContact CG-CG2 3.88Å; L225-V236 HydrophobicContact CD2-CG2 3.83Å; L225-V236 HydrophobicContact CG-CB 4.46Å; L225-V236 HydrophobicContact CG-CG1 4.28Å; L225-V236 HydrophobicContact CG-CG2 4.23Å; H226-V236 WeakPolarHBondContact CE1-CG1 3.36Å; H226-V236 WeakPolarHBondContact ND1-CG1 3.38Å; V236-F238 HydrophobicContact CG2-CD1 4.41Å; V236-F238 HydrophobicContact CG2-CE1 3.91Å; V236-F238 HydrophobicContact CG2-CZ 4.18Å
237S98.6Very high97.6Very high24 Ų2441 Ų4117%0.16823%0.232CC..EExtended strand (participates in β ladder)trans-113.5131.7173.7-176.30000110.3T138 D239T138-S237 PolarHBondContact N-O 2.94Å; T138-S237 PolarHBondContact O-N 3.26Å; S237-D239 VanDerWaalsContact OG-CB 3.25Å; S237-D239 WeakPolarHBondContact OG-CB 3.49Å; S237-D239 PolarHBondContact OG-N 3.17Å; S237-D239 VanDerWaalsContact OG-N 3.13Å
238F98.8Very high97.4Very high26 Ų2639.9 Ų39.911%0.11423%0.229CC..  trans-99.711.8167.2-57.8-50.9000111.9Q135 Y137 R222 L225 H226 V236 A344 N345Q135-F238 HydrophobicContact CG-CD1 4.39Å; Q135-F238 HydrophobicContact CG-CE1 4.04Å; Y137-F238 HydrophobicContact CG-CE1 4.4Å; R222-F238 HydrophobicContact CB-CE2 3.97Å; R222-F238 HydrophobicContact CB-CZ 3.99Å; R222-F238 HydrophobicContact CG-CE1 4.46Å; R222-F238 HydrophobicContact CG-CE2 3.79Å; R222-F238 HydrophobicContact CG-CZ 3.67Å; L225-F238 HydrophobicContact CD2-CE1 4.05Å; L225-F238 HydrophobicContact CD2-CZ 4.11Å; H226-F238 AromaticContact NE2-CE2 3.37Å; H226-F238 WeakPolarHBondContact NE2-CE2 3.29Å; V236-F238 HydrophobicContact CG2-CD1 4.41Å; V236-F238 HydrophobicContact CG2-CE1 3.91Å; V236-F238 HydrophobicContact CG2-CZ 4.18Å; F238-A344 HydrophobicContact CB-CB 4.42Å; F238-A344 CarbonylContact O-C 3.48Å; F238-A344 VanDerWaalsContact O-CB 3.24Å; F238-A344 WeakPolarHBondContact O-CB 3.44Å; F238-N345 HydrophobicContact CB-CB 4.11Å; F238-N345 WeakPolarHBondContact O-CB 3.41Å; F238-N345 PolarHBondContact O-N 2.85Å
239D98.7Very high97.4Very high44 Ų4440 Ų4024%0.23523%0.232CC..  trans-57.4131.6174.8-175-81.4000110.2S237 K241 P242 R298S237-D239 VanDerWaalsContact OG-CB 3.25Å; S237-D239 WeakPolarHBondContact OG-CB 3.49Å; S237-D239 PolarHBondContact OG-N 3.17Å; S237-D239 VanDerWaalsContact OG-N 3.13Å; D239-K241 PolarHBondContact O-N 3.02Å; D239-K241 WeakPolarHBondContact OD1-CA 3.4Å; D239-K241 PolarHBondContact OD1-N 2.85Å; D239-K241 VanDerWaalsContact OD1-O 3.09Å; D239-P242 WeakPolarHBondContact O-CD 3.15Å; D239-R298 IonicContact OD1-CZ 3.53Å; D239-R298 IonicContact OD1-NH1 2.76Å; D239-R298 PolarHBondContact OD1-NH1 2.97Å; D239-R298 IonicContact OD1-NH2 3.44Å; D239-R298 PolarHBondContact OD1-NH2 3.48Å; D239-R298 IonicContact OD2-CZ 3.43Å; D239-R298 IonicContact OD2-NH1 3.22Å; D239-R298 PolarHBondContact OD2-NH1 3.39Å; D239-R298 IonicContact OD2-NH2 2.72Å; D239-R298 PolarHBondContact OD2-NH2 2.93Å
240P98.3Very high97.3Very high0 Ų039.9 Ų39.90%023%0.231CC..SBendtrans-69.5-14.4-175.523.2-32000114.6G249 A250 D295 R299 S343P240-G249 CarbonylContact O-C 3.53Å; P240-G249 WeakPolarHBondContact O-CA 3.31Å; P240-A250 WeakPolarHBondContact CA-O 3.32Å; P240-A250 PolarHBondContact O-N 3.09Å; P240-D295 HydrophobicContact CG-CB 3.81Å; P240-D295 WeakPolarHBondContact CG-O 3.48Å; P240-R299 HydrophobicContact CB-CB 3.97Å; P240-R299 WeakPolarHBondContact O-CD 3.49Å; P240-S343 VanDerWaalsContact CB-OG 3.23Å; P240-S343 WeakPolarHBondContact CB-OG 3.03Å; P240-S343 VanDerWaalsContact CG-OG 3.3Å; P240-S343 WeakPolarHBondContact CG-OG 3.28Å
241K98.1Very high97.3Very high26 Ų2634.5 Ų34.511%0.11321%0.206CC..  trans-146.573.3177.9-167.368.7173.4-174.10109.8D239 I243 G245 W247 R298D239-K241 PolarHBondContact O-N 3.02Å; D239-K241 WeakPolarHBondContact OD1-CA 3.4Å; D239-K241 PolarHBondContact OD1-N 2.85Å; D239-K241 VanDerWaalsContact OD1-O 3.09Å; K241-I243 VanDerWaalsContact C-N 3.28Å; K241-I243 WeakPolarHBondContact CE-O 3.45Å; K241-I243 PolarHBondContact O-N 3.17Å; K241-G245 PolarHBondContact NZ-O 2.75Å; K241-W247 PolarHBondContact NZ-O 3.42Å; K241-R298 HydrophobicContact CB-CB 3.72Å; K241-R298 HydrophobicContact CG-CB 4.2Å; K241-R298 WeakPolarHBondContact CG-O 3.42Å; K241-R298 PolarHBondContact O-NH1 2.88Å
242P96.4Very high97.3Very high32 Ų3232.3 Ų32.321%0.20819%0.194CC..SBendtrans-68.2-30.1-171.226.6-32.6000112.1T138 M198 D239T138-P242 HydrophobicContact CG2-CG 4.49Å; T138-P242 WeakPolarHBondContact OG1-CG 3.19Å; M198-P242 HydrophobicContact SD-CG 4.43Å; D239-P242 WeakPolarHBondContact O-CD 3.15Å
243I96.9Very high97.3Very high29 Ų2928.5 Ų28.515%0.14918%0.177CC..SBendtrans-124.8131.2174.4-55-64000109.2P146 W149 F154 M198 K241 W247P146-I243 HydrophobicContact CG-CD1 3.64Å; P146-I243 HydrophobicContact CG-CG1 3.77Å; W149-I243 HydrophobicContact CH2-CG1 4.3Å; W149-I243 HydrophobicContact CH2-CG2 4.36Å; W149-I243 HydrophobicContact CZ3-CG2 4.45Å; F154-I243 HydrophobicContact CE1-CG2 4.34Å; M198-I243 HydrophobicContact CE-CB 4.21Å; M198-I243 HydrophobicContact CE-CG1 3.48Å; M198-I243 VanDerWaalsContact CE-CG1 3.48Å; M198-I243 HydrophobicContact SD-CG1 4.48Å; K241-I243 VanDerWaalsContact C-N 3.28Å; K241-I243 WeakPolarHBondContact CE-O 3.45Å; K241-I243 PolarHBondContact O-N 3.17Å; I243-W247 HydrophobicContact CB-CB 4.34Å; I243-W247 HydrophobicContact CB-CG 4.42Å; I243-W247 HydrophobicContact CG2-CB 4.43Å; I243-W247 VanDerWaalsContact CG2-CD1 3.45Å; I243-W247 HydrophobicContact CG2-CG 4.05Å
244S93.5Very high97.4Very high101 Ų10128.4 Ų28.471%0.70618%0.176SC*.  trans-74.5160.3177.860.30000112.3
245G92.9Very high97.4Very high52 Ų5229 Ų2954%0.53618%0.179SC..SBendtrans83.5-146.217900000113.9K241 W247K241-G245 PolarHBondContact NZ-O 2.75Å; G245-W247 PolarHBondContact O-N 3.24Å
246N93.8Very high97.4Very high119 Ų11925.9 Ų25.964%0.63616%0.16SC*.SBendtrans-81.549.7-169.8-167.317.3000113.2H304N246-H304 PolarHBondContact OD1-CE1 3.5Å
247W96.1Very high97.4Very high23 Ų2325.9 Ų25.99%0.08716%0.161CC..SBendtrans-126.2142.5173.5-62.4103.1000108.6W149 F154 P155 G156 Q158 M198 P199 K241 I243 G245W149-W247 AromaticContact CH2-CD2 3.63Å; W149-W247 HydrophobicContact CH2-CD2 3.63Å; W149-W247 AromaticContact CH2-CE2 3.55Å; W149-W247 AromaticContact CH2-CE3 3.95Å; W149-W247 HydrophobicContact CH2-CE3 3.95Å; W149-W247 HydrophobicContact CH2-CG 4.14Å; W149-W247 HydrophobicContact CH2-CH2 4.15Å; W149-W247 AromaticContact CH2-CZ2 3.83Å; W149-W247 HydrophobicContact CH2-CZ2 3.83Å; W149-W247 HydrophobicContact CH2-CZ3 4.19Å; W149-W247 AromaticContact CH2-NE1 3.95Å; W149-W247 HydrophobicContact CZ2-CD2 4.2Å; W149-W247 HydrophobicContact CZ2-CE3 4.04Å; W149-W247 HydrophobicContact CZ2-CH2 4.34Å; W149-W247 HydrophobicContact CZ2-CZ2 4.48Å; W149-W247 HydrophobicContact CZ2-CZ3 4.12Å; W149-W247 HydrophobicContact CZ3-CZ2 4.32Å; F154-W247 HydrophobicContact CB-CZ2 4.16Å; F154-W247 AromaticContact CD1-CE2 3.9Å; F154-W247 AromaticContact CD1-CZ2 3.83Å; F154-W247 HydrophobicContact CD1-CZ2 3.83Å; F154-W247 AromaticContact CD1-NE1 3.51Å; F154-W247 AromaticContact CE1-NE1 3.68Å; F154-W247 HydrophobicContact CG-CZ2 4.42Å; P155-W247 HydrophobicContact CG-CH2 3.83Å; P155-W247 HydrophobicContact CG-CZ3 4.37Å; G156-W247 WeakPolarHBondContact O-CH2 3.47Å; Q158-W247 HydrophobicContact CG-CE3 3.48Å; Q158-W247 VanDerWaalsContact CG-CE3 3.48Å; Q158-W247 HydrophobicContact CG-CZ3 3.55Å; M198-W247 HydrophobicContact CG-CE3 4.07Å; M198-W247 HydrophobicContact SD-CB 4.23Å; P199-W247 HydrophobicContact CG-CZ3 3.98Å; K241-W247 PolarHBondContact NZ-O 3.42Å; I243-W247 HydrophobicContact CB-CB 4.34Å; I243-W247 HydrophobicContact CB-CG 4.42Å; I243-W247 HydrophobicContact CG2-CB 4.43Å; I243-W247 VanDerWaalsContact CG2-CD1 3.45Å; I243-W247 HydrophobicContact CG2-CG 4.05Å; G245-W247 PolarHBondContact O-N 3.24Å
248N96.2Very high97.4Very high15 Ų1524.8 Ų24.88%0.0815%0.153CC..  trans-58.8149.4179.8-87.343.7000111.2Q158 V197 M198Q158-N248 PolarHBondContact NE2-OD1 3.46Å; V197-N248 HydrophobicContact CB-CB 4.29Å; M198-N248 HydrophobicContact CB-CB 4.41Å
249G97.3Very high97.4Very high11 Ų1127.9 Ų27.911%0.11317%0.166CC..  trans-84.6178.4165.700000111Q201 P240Q201-G249 PolarHBondContact NE2-O 2.79Å; P240-G249 CarbonylContact O-C 3.53Å; P240-G249 WeakPolarHBondContact O-CA 3.31Å
250A98.6Very high97.4Very high0 Ų028.9 Ų28.90%017%0.17CC..  trans-111.4121.8176.400000110.9E136 P240 R299 A344E136-A250 HydrophobicContact CB-CB 4.08Å; E136-A250 VanDerWaalsContact OE2-CA 3.22Å; E136-A250 WeakPolarHBondContact OE2-CA 3.29Å; P240-A250 WeakPolarHBondContact CA-O 3.32Å; P240-A250 PolarHBondContact O-N 3.09Å; A250-R299 WeakPolarHBondContact O-CD 3.38Å; A250-A344 HydrophobicContact CB-CB 3.52Å; A250-A344 VanDerWaalsContact O-CB 3.28Å; A250-A344 WeakPolarHBondContact O-CB 3.3Å; A250-A344 PolarHBondContact O-N 3.36Å
251G98.4Very high97.5Very high0 Ų028.9 Ų28.90%017%0.17CC..BIsolated β-bridgetrans-102.2172.6176.200000114.1E136E136-G251 WeakPolarHBondContact CB-O 3.43Å; E136-G251 PolarHBondContact N-O 2.87Å; E136-G251 PolarHBondContact OE2-N 2.91Å
252C98.8Very high97.5Very high0 Ų030.3 Ų30.30%017%0.174CC..EExtended strand (participates in β ladder)trans-130.267.9162.6-158.40000110.6M133 E134 T254 P342 S343M133-C252 HydrophobicContact CE-CB 4.42Å; M133-C252 WeakPolarHBondContact CE-SG 3.33Å; E134-C252 VanDerWaalsContact O-CA 3.23Å; E134-C252 WeakPolarHBondContact O-CA 3.45Å; C252-T254 PolarHBondContact O-N 2.88Å; C252-T254 PolarHBondContact O-OG1 3.49Å; C252-P342 HydrophobicContact CB-CB 4.39Å; C252-P342 PolarHBondContact N-O 2.69Å; C252-P342 WeakPolarHBondContact O-CB 3.17Å; C252-S343 WeakPolarHBondContact CB-O 3.47Å
253H98.8Very high97.6Very high9 Ų933.5 Ų33.54%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-56.9136.6-174.4-49137.8000110.4M133 E134 E136 E338 D339 R340M133-H253 WeakPolarHBondContact CA-O 3.39Å; E134-H253 HydrophobicContact CB-CB 4.07Å; E134-H253 HydrophobicContact CG-CB 4.43Å; E134-H253 PolarHBondContact N-O 3.13Å; E134-H253 PolarHBondContact O-N 2.76Å; E134-H253 WeakPolarHBondContact OE2-CB 3.36Å; E134-H253 IonicContact OE2-CE1 3.2Å; E134-H253 IonicContact OE2-CG 2.79Å; E134-H253 IonicContact OE2-ND1 2.73Å; E134-H253 PolarHBondContact OE2-ND1 3.2Å; E136-H253 IonicContact OE1-CE1 4Å; H253-E338 HydrophobicContact CB-CG 4Å; H253-D339 CarbonylContact C-O 3.55Å; H253-D339 WeakPolarHBondContact CA-O 3.45Å; H253-R340 PolarHBondContact CE1-NH2 3.03Å; H253-R340 PolarHBondContact NE2-NE 3.21Å; H253-R340 PolarHBondContact NE2-NH2 3.07Å
254T98.9Very high97.6Very high0 Ų036.8 Ų36.80%022%0.218CC..EExtended strand (participates in β ladder)trans-118.2107.3-174.7-57.50000110F131 M133 C252 D339 V351 L355F131-T254 HydrophobicContact CD1-CG2 4.23Å; M133-T254 HydrophobicContact CG-CG2 4.03Å; C252-T254 PolarHBondContact O-N 2.88Å; C252-T254 PolarHBondContact O-OG1 3.49Å; T254-D339 PolarHBondContact N-O 2.85Å; T254-D339 PolarHBondContact O-N 3.21Å; T254-V351 HydrophobicContact CG2-CG1 4.23Å; T254-L355 HydrophobicContact CG2-CD1 3.61Å
255N98.9Very high97.7Very high23 Ų2334.3 Ų34.312%0.12321%0.209CC..EExtended strand (participates in β ladder)trans-75.7128.7170.6-61.1-71.8000109F131 G132 E134 Y336 F337 E338F131-N255 CarbonylContact C-O 3.42Å; F131-N255 VanDerWaalsContact CA-O 3.23Å; F131-N255 WeakPolarHBondContact CA-O 3.47Å; G132-N255 PolarHBondContact N-O 2.87Å; G132-N255 WeakPolarHBondContact O-CB 3.4Å; G132-N255 PolarHBondContact O-N 2.9Å; G132-N255 PolarHBondContact O-ND2 3.07Å; E134-N255 PolarHBondContact OE1-ND2 3.21Å; N255-Y336 HydrophobicContact CB-CD2 3.85Å; N255-Y336 HydrophobicContact CB-CE2 4.07Å; N255-Y336 WeakPolarHBondContact OD1-CE2 3.47Å; N255-F337 CarbonylContact C-O 3.56Å; N255-F337 WeakPolarHBondContact CA-O 3.47Å; N255-E338 WeakPolarHBondContact OD1-CB 3.33Å
256F98.9Very high98Very high1 Ų131.9 Ų31.90%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-134.6135.8-178.1176-122.1000112.3P129 W130 F131 T258 M261 Y336 F337 L355 C359 L360P129-F256 HydrophobicContact CB-CE2 3.82Å; W130-F256 WeakPolarHBondContact O-CA 3.49Å; F131-F256 HydrophobicContact CD1-CB 4.33Å; F131-F256 AromaticContact CD1-CD2 3.58Å; F131-F256 HydrophobicContact CD1-CD2 3.58Å; F131-F256 HydrophobicContact CD1-CE2 4.35Å; F131-F256 HydrophobicContact CD1-CG 4.31Å; F131-F256 HydrophobicContact CE1-CB 4.44Å; F131-F256 AromaticContact CE1-CD2 3.15Å; F131-F256 HydrophobicContact CE1-CD2 3.15Å; F131-F256 AromaticContact CE1-CE2 3.55Å; F131-F256 HydrophobicContact CE1-CE2 3.55Å; F131-F256 AromaticContact CE1-CG 3.98Å; F131-F256 HydrophobicContact CE1-CG 3.98Å; F131-F256 HydrophobicContact CE2-CE2 4.43Å; F131-F256 HydrophobicContact CG-CD2 4.42Å; F131-F256 AromaticContact CZ-CD2 3.68Å; F131-F256 HydrophobicContact CZ-CD2 3.68Å; F131-F256 AromaticContact CZ-CE2 3.58Å; F131-F256 HydrophobicContact CZ-CE2 3.58Å; F256-T258 HydrophobicContact CE2-CG2 4.43Å; F256-T258 HydrophobicContact CZ-CG2 3.89Å; F256-M261 HydrophobicContact CE1-CE 4.23Å; F256-Y336 WeakPolarHBondContact O-CA 3.38Å; F256-Y336 VanDerWaalsContact O-CB 3.3Å; F256-Y336 WeakPolarHBondContact O-CB 3.5Å; F256-F337 HydrophobicContact CB-CE1 4.44Å; F256-F337 HydrophobicContact CB-CE2 4.44Å; F256-F337 HydrophobicContact CB-CZ 4.19Å; F256-F337 AromaticContact CD1-CE1 3.61Å; F256-F337 HydrophobicContact CD1-CE1 3.61Å; F256-F337 AromaticContact CD1-CZ 3.56Å; F256-F337 HydrophobicContact CD1-CZ 3.56Å; F256-F337 HydrophobicContact CE1-CE1 4.4Å; F256-F337 HydrophobicContact CE1-CZ 4.47Å; F256-F337 HydrophobicContact CG-CE1 4.49Å; F256-F337 HydrophobicContact CG-CZ 4.36Å; F256-F337 PolarHBondContact N-O 3.22Å; F256-F337 PolarHBondContact O-N 3.44Å; F256-F337 VanDerWaalsContact O-N 3.16Å; F256-L355 HydrophobicContact CB-CD1 4.3Å; F256-C359 HydrophobicContact CE1-CB 3.76Å; F256-C359 HydrophobicContact CZ-CB 4.46Å; F256-L360 HydrophobicContact CZ-CD1 4.21Å; F256-L360 HydrophobicContact CZ-CG 4.36Å
257S98.9Very high98.2Very high9 Ų927.5 Ų27.56%0.06316%0.16CC..EExtended strand (participates in β ladder)trans-147.7154.2170.263.20000112.5P129 W130 R262 G335P129-S257 WeakPolarHBondContact CA-O 3.34Å; W130-S257 PolarHBondContact N-O 3.2Å; W130-S257 PolarHBondContact O-N 3.06Å; S257-R262 PolarHBondContact O-NH1 2.93Å; S257-R262 PolarHBondContact OG-NH1 2.99Å; S257-G335 WeakPolarHBondContact CB-O 3.4Å
258T98.9Very high98.3Very high0 Ų032.8 Ų32.80%018%0.183CC..  trans-107.8172.8161.568.10000111.3H127 F256 E260 M261 R262 L360H127-T258 HydrophobicContact CB-CG2 4.21Å; H127-T258 WeakPolarHBondContact O-CB 3.39Å; F256-T258 HydrophobicContact CE2-CG2 4.43Å; F256-T258 HydrophobicContact CZ-CG2 3.89Å; T258-E260 WeakPolarHBondContact CB-OE2 3.24Å; T258-E260 PolarHBondContact O-N 2.91Å; T258-E260 PolarHBondContact OG1-N 3.46Å; T258-E260 PolarHBondContact OG1-OE2 3.48Å; T258-M261 PolarHBondContact O-N 3Å; T258-M261 VanDerWaalsContact O-N 3.12Å; T258-M261 PolarHBondContact OG1-N 3.06Å; T258-R262 WeakPolarHBondContact O-CG 3.38Å; T258-R262 PolarHBondContact O-N 3.4Å; T258-R262 VanDerWaalsContact O-N 3.09Å; T258-R262 PolarHBondContact O-NH1 2.97Å; T258-L360 HydrophobicContact CG2-CD1 3.83Å; T258-L360 HydrophobicContact CG2-CD2 3.49Å; T258-L360 VanDerWaalsContact CG2-CD2 3.49Å; T258-L360 HydrophobicContact CG2-CG 4.22Å
259K98.8Very high98.4Very high92 Ų9234.1 Ų34.140%0.419%0.192SC..Hα-helixtrans-49.8-46.6171.4-180178.6172.8-176.30111.5H127 H128 M261 R262 E263H127-K259 PolarHBondContact O-N 2.92Å; H128-K259 HydrophobicContact CB-CB 4.47Å; K259-M261 VanDerWaalsContact C-N 3.34Å; K259-M261 PolarHBondContact O-N 3.32Å; K259-R262 PolarHBondContact O-N 3.37Å; K259-R262 VanDerWaalsContact O-N 3.12Å; K259-E263 WeakPolarHBondContact CE-OE1 3.35Å; K259-E263 WeakPolarHBondContact CG-OE1 3.48Å; K259-E263 WeakPolarHBondContact O-CG 3.24Å; K259-E263 PolarHBondContact O-N 3.06Å; K259-E263 VanDerWaalsContact O-N 3.12Å
260E98.7Very high98.5Very high65 Ų6533.6 Ų33.630%0.30419%0.186SC..Hα-helixtrans-64.8-36.9-179.5-56.680.9179.800112.2H127 T258 R262 E263 G266 V269H127-E260 IonicContact CE1-OE1 3.76Å; H127-E260 IonicContact CG-OE1 2.65Å; H127-E260 IonicContact ND1-OE1 3.07Å; H127-E260 PolarHBondContact ND1-OE1 3.37Å; H127-E260 IonicContact ND1-OE2 2.74Å; T258-E260 WeakPolarHBondContact CB-OE2 3.24Å; T258-E260 PolarHBondContact O-N 2.91Å; T258-E260 PolarHBondContact OG1-N 3.46Å; T258-E260 PolarHBondContact OG1-OE2 3.48Å; E260-R262 VanDerWaalsContact C-N 3.29Å; E260-R262 PolarHBondContact O-N 2.82Å; E260-E263 PolarHBondContact O-N 2.83Å; E260-G266 VanDerWaalsContact O-CA 3.23Å; E260-G266 WeakPolarHBondContact O-CA 3.18Å; E260-V269 HydrophobicContact CB-CG1 4.34Å; E260-V269 HydrophobicContact CB-CG2 4.2Å
261M98.8Very high98.5Very high0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-67.1-31175.3-64.8-179.4-179.300112.3F256 T258 K259 G266 V269 I270 S273 R334 G335 F337F256-M261 HydrophobicContact CE1-CE 4.23Å; T258-M261 PolarHBondContact O-N 3Å; T258-M261 VanDerWaalsContact O-N 3.12Å; T258-M261 PolarHBondContact OG1-N 3.06Å; K259-M261 VanDerWaalsContact C-N 3.34Å; K259-M261 PolarHBondContact O-N 3.32Å; M261-G266 WeakPolarHBondContact O-CA 3.45Å; M261-V269 HydrophobicContact CE-CG1 4.04Å; M261-V269 HydrophobicContact CG-CB 4Å; M261-V269 HydrophobicContact CG-CG1 3.71Å; M261-I270 HydrophobicContact CB-CD1 4.39Å; M261-I270 HydrophobicContact CB-CG1 3.97Å; M261-I270 HydrophobicContact CG-CG1 3.82Å; M261-I270 HydrophobicContact SD-CG1 3.88Å; M261-S273 WeakPolarHBondContact CE-OG 3.44Å; M261-R334 CarbonylContact O-C 3.58Å; M261-R334 WeakPolarHBondContact O-CA 3.28Å; M261-G335 CarbonylContact C-O 3.51Å; M261-G335 WeakPolarHBondContact CB-O 3.04Å; M261-G335 PolarHBondContact O-N 3.24Å; M261-F337 HydrophobicContact CE-CE1 4.14Å; M261-F337 HydrophobicContact SD-CD1 4.45Å; M261-F337 HydrophobicContact SD-CE1 4.35Å
262R98.7Very high98.5Very high56 Ų5641.2 Ų41.221%0.21122%0.222CC..Hα-helixtrans-83-17-179.7-64.8-172.7-62-91.67.9113.4H128 W130 S257 T258 K259 E260 R334H128-R262 PolarHBondContact O-NH1 2.99Å; H128-R262 PolarHBondContact O-NH2 3.29Å; W130-R262 VanDerWaalsContact CD2-CZ 3.44Å; S257-R262 PolarHBondContact O-NH1 2.93Å; S257-R262 PolarHBondContact OG-NH1 2.99Å; T258-R262 WeakPolarHBondContact O-CG 3.38Å; T258-R262 PolarHBondContact O-N 3.4Å; T258-R262 VanDerWaalsContact O-N 3.09Å; T258-R262 PolarHBondContact O-NH1 2.97Å; K259-R262 PolarHBondContact O-N 3.37Å; K259-R262 VanDerWaalsContact O-N 3.12Å; E260-R262 VanDerWaalsContact C-N 3.29Å; E260-R262 PolarHBondContact O-N 2.82Å; R262-R334 WeakPolarHBondContact O-CD 3.45Å
263E98.3Very high98.4Very high98 Ų9841.2 Ų41.246%0.45822%0.222SC..SBendtrans-88.6175-179.9-74.9176.9177.300112.9K259 E260 G265 G266 R334K259-E263 WeakPolarHBondContact CE-OE1 3.35Å; K259-E263 WeakPolarHBondContact CG-OE1 3.48Å; K259-E263 WeakPolarHBondContact O-CG 3.24Å; K259-E263 PolarHBondContact O-N 3.06Å; K259-E263 VanDerWaalsContact O-N 3.12Å; E260-E263 PolarHBondContact O-N 2.83Å; E263-G265 PolarHBondContact O-N 2.84Å; E263-G266 PolarHBondContact O-N 2.81Å; E263-R334 WeakPolarHBondContact O-CB 3.27Å
264A97.6Very high98.4Very high98 Ų9841.6 Ų41.681%0.8122%0.224SC*.THydrogen-bonded Turntrans-62.1130-179.900000111.1G266A264-G266 VanDerWaalsContact C-N 3.33Å
265G95.7Very high98.4Very high50 Ų5047.5 Ų47.552%0.51525%0.252SS..THydrogen-bonded Turntrans85.82.6-173.400000114.3E263 L267 K268E263-G265 PolarHBondContact O-N 2.84Å; G265-L267 PolarHBondContact O-N 2.75Å; G265-L267 VanDerWaalsContact O-N 3.16Å; G265-K268 PolarHBondContact O-N 3.21Å; G265-K268 VanDerWaalsContact O-N 3.14Å
266G98.4Very high98.4Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-60.9-23-176.800000115.6E260 M261 E263 A264 K268 V269 I270 K333E260-G266 VanDerWaalsContact O-CA 3.23Å; E260-G266 WeakPolarHBondContact O-CA 3.18Å; M261-G266 WeakPolarHBondContact O-CA 3.45Å; E263-G266 PolarHBondContact O-N 2.81Å; A264-G266 VanDerWaalsContact C-N 3.33Å; G266-K268 PolarHBondContact O-N 2.8Å; G266-V269 WeakPolarHBondContact O-CB 3.48Å; G266-V269 PolarHBondContact O-N 2.88Å; G266-V269 VanDerWaalsContact O-N 3.07Å; G266-I270 WeakPolarHBondContact O-CG1 3.45Å; G266-I270 PolarHBondContact O-N 2.85Å; G266-K333 PolarHBondContact N-O 3.17Å
267L98.2Very high98.3Very high27 Ų2749 Ų4914%0.14126%0.256CS..Hα-helixtrans-58.1-36.7173.9179.862.8000112.5G265 V269 I270 E271 I325 K333G265-L267 PolarHBondContact O-N 2.75Å; G265-L267 VanDerWaalsContact O-N 3.16Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 3.49Å; L267-I270 WeakPolarHBondContact O-CB 3.27Å; L267-I270 PolarHBondContact O-N 3.46Å; L267-E271 HydrophobicContact CD1-CG 4.46Å; L267-E271 WeakPolarHBondContact O-CG 3.23Å; L267-E271 PolarHBondContact O-N 3.07Å; L267-I325 HydrophobicContact CD1-CD1 4.31Å; L267-I325 HydrophobicContact CD1-CG2 4.3Å; L267-K333 HydrophobicContact CB-CB 4.08Å; L267-K333 WeakPolarHBondContact CB-O 3.45Å; L267-K333 HydrophobicContact CD2-CB 4.23Å; L267-K333 HydrophobicContact CD2-CG 4.15Å; L267-K333 PolarHBondContact N-O 2.88Å
268K98.4Very high98.3Very high135 Ų13550.4 Ų50.459%0.58727%0.268SS*.Hα-helixtrans-64.1-40.3176.5-176.5-179.7175.4-172.60111.3G265 G266 I270 E271 E272G265-K268 PolarHBondContact O-N 3.21Å; G265-K268 VanDerWaalsContact O-N 3.14Å; G266-K268 PolarHBondContact O-N 2.8Å; K268-I270 VanDerWaalsContact C-N 3.3Å; K268-I270 PolarHBondContact O-N 3.16Å; K268-E271 PolarHBondContact O-N 3.09Å; K268-E272 VanDerWaalsContact CE-OE1 3.32Å; K268-E272 WeakPolarHBondContact CE-OE1 3.22Å; K268-E272 WeakPolarHBondContact O-CG 3.08Å; K268-E272 PolarHBondContact O-N 3.39Å
269V98.5Very high98.2Very high42 Ų4257.6 Ų57.626%0.25530%0.3SS..Hα-helixtrans-64.4-39.3176.8-173.90000110.4E260 M261 G266 L267 S273E260-V269 HydrophobicContact CB-CG1 4.34Å; E260-V269 HydrophobicContact CB-CG2 4.2Å; M261-V269 HydrophobicContact CE-CG1 4.04Å; M261-V269 HydrophobicContact CG-CB 4Å; M261-V269 HydrophobicContact CG-CG1 3.71Å; G266-V269 WeakPolarHBondContact O-CB 3.48Å; G266-V269 PolarHBondContact O-N 2.88Å; G266-V269 VanDerWaalsContact O-N 3.07Å; L267-V269 VanDerWaalsContact C-N 3.31Å; L267-V269 PolarHBondContact O-N 3.49Å; V269-S273 PolarHBondContact O-N 3.28Å; V269-S273 PolarHBondContact O-OG 2.87Å
270I98.8Very high98.2Very high0 Ų053.5 Ų53.50%028%0.282CS..Hα-helixtrans-60.2-50.4173.4-69.1168.9000110.7M261 G266 L267 K268 E272 S273 I274 I325 V329 F337M261-I270 HydrophobicContact CB-CD1 4.39Å; M261-I270 HydrophobicContact CB-CG1 3.97Å; M261-I270 HydrophobicContact CG-CG1 3.82Å; M261-I270 HydrophobicContact SD-CG1 3.88Å; G266-I270 WeakPolarHBondContact O-CG1 3.45Å; G266-I270 PolarHBondContact O-N 2.85Å; L267-I270 WeakPolarHBondContact O-CB 3.27Å; L267-I270 PolarHBondContact O-N 3.46Å; K268-I270 VanDerWaalsContact C-N 3.3Å; K268-I270 PolarHBondContact O-N 3.16Å; I270-E272 PolarHBondContact O-N 2.92Å; I270-S273 WeakPolarHBondContact O-CB 3.47Å; I270-S273 PolarHBondContact O-N 3.1Å; I270-S273 VanDerWaalsContact O-N 3.17Å; I270-I274 HydrophobicContact CG2-CD1 3.77Å; I270-I274 HydrophobicContact CG2-CG1 4.43Å; I270-I274 VanDerWaalsContact O-CG1 3.31Å; I270-I274 WeakPolarHBondContact O-CG1 3.38Å; I270-I274 PolarHBondContact O-N 2.69Å; I270-I325 HydrophobicContact CG2-CD1 4.16Å; I270-I325 HydrophobicContact CG2-CG1 4.25Å; I270-V329 HydrophobicContact CD1-CG1 3.77Å; I270-F337 HydrophobicContact CG2-CB 3.9Å; I270-F337 HydrophobicContact CG2-CD1 3.98Å; I270-F337 HydrophobicContact CG2-CG 4.36Å
271E98.4Very high98.1Very high93 Ų9351 Ų5144%0.43527%0.27SS..Hα-helixtrans-59.1-45.2179.8-71.3168.3163.600111.6L267 K268 S273 I274 E275L267-E271 HydrophobicContact CD1-CG 4.46Å; L267-E271 WeakPolarHBondContact O-CG 3.23Å; L267-E271 PolarHBondContact O-N 3.07Å; K268-E271 PolarHBondContact O-N 3.09Å; E271-S273 VanDerWaalsContact C-N 3.34Å; E271-S273 PolarHBondContact O-N 3.48Å; E271-I274 WeakPolarHBondContact O-CB 3.1Å; E271-I274 PolarHBondContact O-N 3.42Å; E271-E275 PolarHBondContact O-N 3.49Å
272E98.4Very high98Very high67 Ų6755.1 Ų55.131%0.31329%0.29SS..Hα-helixtrans-62.3-37.9175.5-72.4-179.5-161.400113K268 I270 E275 R276K268-E272 VanDerWaalsContact CE-OE1 3.32Å; K268-E272 WeakPolarHBondContact CE-OE1 3.22Å; K268-E272 WeakPolarHBondContact O-CG 3.08Å; K268-E272 PolarHBondContact O-N 3.39Å; I270-E272 PolarHBondContact O-N 2.92Å; E272-E275 PolarHBondContact O-N 2.86Å; E272-R276 WeakPolarHBondContact O-CG 3.48Å; E272-R276 PolarHBondContact O-N 3.32Å; E272-R276 IonicContact OE2-NH2 3.84Å; E272-R276 PolarHBondContact OE2-NH2 2.99Å; E272-R276 VanDerWaalsContact OE2-NH2 3.16Å
273S98.6Very high98Very high1 Ų153.6 Ų53.61%0.00729%0.285CS..Hα-helixtrans-65.9-40.7174.5-78.80000111.9M261 V269 I270 E271 E275 R276 L277M261-S273 WeakPolarHBondContact CE-OG 3.44Å; V269-S273 PolarHBondContact O-N 3.28Å; V269-S273 PolarHBondContact O-OG 2.87Å; I270-S273 WeakPolarHBondContact O-CB 3.47Å; I270-S273 PolarHBondContact O-N 3.1Å; I270-S273 VanDerWaalsContact O-N 3.17Å; E271-S273 VanDerWaalsContact C-N 3.34Å; E271-S273 PolarHBondContact O-N 3.48Å; S273-E275 VanDerWaalsContact C-N 3.33Å; S273-E275 PolarHBondContact O-N 3.01Å; S273-R276 PolarHBondContact O-N 2.79Å; S273-L277 WeakPolarHBondContact O-CG 3.43Å; S273-L277 PolarHBondContact O-N 3.49Å
274I98.5Very high98Very high16 Ų1648.9 Ų48.98%0.08226%0.263CS..Hα-helixtrans-62.1-41176.6-70172000111.1I270 E271 R276 L277 A278 F312 A314 I323 I325 F337I270-I274 HydrophobicContact CG2-CD1 3.77Å; I270-I274 HydrophobicContact CG2-CG1 4.43Å; I270-I274 VanDerWaalsContact O-CG1 3.31Å; I270-I274 WeakPolarHBondContact O-CG1 3.38Å; I270-I274 PolarHBondContact O-N 2.69Å; E271-I274 WeakPolarHBondContact O-CB 3.1Å; E271-I274 PolarHBondContact O-N 3.42Å; I274-R276 VanDerWaalsContact C-N 3.32Å; I274-R276 PolarHBondContact O-N 3.11Å; I274-L277 PolarHBondContact O-N 2.8Å; I274-A278 PolarHBondContact O-N 2.76Å; I274-F312 HydrophobicContact CG2-CE1 3.96Å; I274-F312 HydrophobicContact CG2-CZ 3.94Å; I274-A314 HydrophobicContact CG2-CB 3.55Å; I274-I323 HydrophobicContact CD1-CG2 3.79Å; I274-I323 HydrophobicContact CG1-CG2 3.86Å; I274-I325 HydrophobicContact CD1-CD1 3.74Å; I274-I325 HydrophobicContact CD1-CG1 3.79Å; I274-F337 HydrophobicContact CD1-CB 4.39Å; I274-F337 HydrophobicContact CG1-CG 4.48Å
275E98.1Very high98Very high125 Ų12544.4 Ų44.458%0.58423%0.225SC*.Hα-helixtrans-61.1-39.1174.8-71.5179-17600112.6E271 E272 S273 A278 K279E271-E275 PolarHBondContact O-N 3.49Å; E272-E275 PolarHBondContact O-N 2.86Å; S273-E275 VanDerWaalsContact C-N 3.33Å; S273-E275 PolarHBondContact O-N 3.01Å; E275-A278 WeakPolarHBondContact O-CB 3.31Å; E275-A278 PolarHBondContact O-N 3.07Å; E275-K279 WeakPolarHBondContact O-CG 3.5Å; E275-K279 PolarHBondContact O-N 2.99Å
276R98.4Very high98.1Very high54 Ų5446.4 Ų46.420%0.20422%0.217CC..Hα-helixtrans-67.2-41.5175.4-66.5173.5-166.8118.216.1111.4E272 S273 I274 A278 K279 R280 T358 C359E272-R276 WeakPolarHBondContact O-CG 3.48Å; E272-R276 PolarHBondContact O-N 3.32Å; E272-R276 IonicContact OE2-NH2 3.84Å; E272-R276 PolarHBondContact OE2-NH2 2.99Å; E272-R276 VanDerWaalsContact OE2-NH2 3.16Å; S273-R276 PolarHBondContact O-N 2.79Å; I274-R276 VanDerWaalsContact C-N 3.32Å; I274-R276 PolarHBondContact O-N 3.11Å; R276-A278 VanDerWaalsContact C-N 3.3Å; R276-A278 PolarHBondContact O-N 2.86Å; R276-K279 PolarHBondContact O-N 3Å; R276-R280 PolarHBondContact O-N 2.81Å; R276-T358 HydrophobicContact CB-CG2 3.92Å; R276-T358 WeakPolarHBondContact CD-O 3.49Å; R276-T358 WeakPolarHBondContact O-CG2 3.07Å; R276-C359 PolarHBondContact NH1-O 3.37Å
277L98.4Very high98.1Very high0 Ų046.8 Ų46.80%022%0.22CC..Hα-helixtrans-61.7-37.9175.5-69.3172.8000112.4S273 I274 K279 R280 H281 H284 F312 I323 F337 L355 T358S273-L277 WeakPolarHBondContact O-CG 3.43Å; S273-L277 PolarHBondContact O-N 3.49Å; I274-L277 PolarHBondContact O-N 2.8Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 3.07Å; L277-R280 CarbonylContact O-C 3.57Å; L277-R280 PolarHBondContact O-N 3.32Å; L277-H281 PolarHBondContact O-N 2.79Å; L277-H281 VanDerWaalsContact O-N 3.17Å; L277-H284 WeakPolarHBondContact CD2-CE1 3.4Å; L277-H284 WeakPolarHBondContact CD2-NE2 3.4Å; L277-F312 HydrophobicContact CB-CE2 3.97Å; L277-F312 HydrophobicContact CB-CZ 4.09Å; L277-I323 HydrophobicContact CD1-CD1 4.04Å; L277-I323 HydrophobicContact CD1-CG1 4.41Å; L277-F337 HydrophobicContact CD1-CE2 3.56Å; L277-F337 HydrophobicContact CD1-CZ 3.56Å; L277-L355 HydrophobicContact CD1-CD2 4.34Å; L277-L355 HydrophobicContact CD2-CD2 3.92Å; L277-T358 HydrophobicContact CD2-CG2 3.91Å; L277-T358 HydrophobicContact CG-CG2 4.42Å
278A97.8Very high98.1Very high40 Ų4045.5 Ų45.533%0.33121%0.213SC..Hα-helixtrans-59.1-42.5176.200000111.6I274 E275 R276 R280 H281 F312I274-A278 PolarHBondContact O-N 2.76Å; E275-A278 WeakPolarHBondContact O-CB 3.31Å; E275-A278 PolarHBondContact O-N 3.07Å; R276-A278 VanDerWaalsContact C-N 3.3Å; R276-A278 PolarHBondContact O-N 2.86Å; A278-R280 PolarHBondContact O-N 3.4Å; A278-H281 PolarHBondContact O-N 3.12Å; A278-F312 HydrophobicContact CB-CD1 3.42Å; A278-F312 VanDerWaalsContact CB-CD1 3.42Å; A278-F312 HydrophobicContact CB-CD2 4.45Å; A278-F312 HydrophobicContact CB-CE1 3.51Å; A278-F312 HydrophobicContact CB-CG 3.92Å; A278-F312 HydrophobicContact CB-CZ 4.05Å
279K97.6Very high98Very high151 Ų15139.1 Ų39.166%0.65719%0.185SC*.Hα-helixtrans-69.6-18.7-179.9-66.1173.7-177.1179.30114E275 R276 L277E275-K279 WeakPolarHBondContact O-CG 3.5Å; E275-K279 PolarHBondContact O-N 2.99Å; R276-K279 PolarHBondContact O-N 3Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 3.07Å
280R97.6Very high98Very high5 Ų539.4 Ų39.42%0.01919%0.188CC..THydrogen-bonded Turntrans-118.826.2180-64.2-166.975-169.518.3112.9R276 L277 A278 M282 Y283 H284 T358 E363 G365 E367R276-R280 PolarHBondContact O-N 2.81Å; L277-R280 CarbonylContact O-C 3.57Å; L277-R280 PolarHBondContact O-N 3.32Å; A278-R280 PolarHBondContact O-N 3.4Å; R280-M282 VanDerWaalsContact C-N 3.34Å; R280-M282 PolarHBondContact O-N 3.09Å; R280-Y283 HydrophobicContact CB-CD1 4.49Å; R280-Y283 WeakPolarHBondContact O-CB 3.38Å; R280-Y283 PolarHBondContact O-N 3.05Å; R280-Y283 VanDerWaalsContact O-N 3.17Å; R280-H284 PolarHBondContact O-CD2 3.36Å; R280-H284 VanDerWaalsContact O-CD2 3.28Å; R280-H284 PolarHBondContact O-N 3.29Å; R280-H284 VanDerWaalsContact O-N 3.1Å; R280-T358 HydrophobicContact CB-CG2 4.28Å; R280-T358 HydrophobicContact CG-CG2 4.37Å; R280-T358 PolarHBondContact NH1-OG1 2.97Å; R280-T358 VanDerWaalsContact NH1-OG1 3.12Å; R280-E363 WeakPolarHBondContact CD-O 3.4Å; R280-E363 IonicContact NH1-OE2 3.67Å; R280-E363 IonicContact NH2-OE2 2.85Å; R280-G365 PolarHBondContact NE-O 3.27Å; R280-G365 PolarHBondContact NH2-O 3.17Å; R280-G365 VanDerWaalsContact NH2-O 3.12Å; R280-E367 PolarHBondContact NH2-O 3.04Å
281H97.4Very high97.9Very high13 Ų1344.1 Ų44.16%0.0621%0.209CC..Hα-helixtrans-51.2-49.8-174.1-179.172.6000113.2L277 A278 Y283 H284 I285 I309 F312 R341L277-H281 PolarHBondContact O-N 2.79Å; L277-H281 VanDerWaalsContact O-N 3.17Å; A278-H281 PolarHBondContact O-N 3.12Å; H281-Y283 PolarHBondContact O-N 3.06Å; H281-H284 WeakPolarHBondContact O-CB 3.43Å; H281-H284 PolarHBondContact O-N 2.95Å; H281-H284 VanDerWaalsContact O-N 3.16Å; H281-I285 WeakPolarHBondContact O-CG1 3.5Å; H281-I285 PolarHBondContact O-N 3.11Å; H281-I309 PolarHBondContact NE2-O 3.02Å; H281-F312 HydrophobicContact CB-CB 4.25Å; H281-F312 HydrophobicContact CB-CD2 4.42Å; H281-F312 AromaticContact ND1-CD2 3.57Å; H281-R341 PolarHBondContact ND1-NH1 2.73Å; H281-R341 VanDerWaalsContact ND1-NH1 3.14Å
282M96.7Very high97.9Very high86 Ų8641.5 Ų41.542%0.42421%0.207SC..Hα-helixtrans-68.7-33.4-178-66.6-50.9-59.600114.1R280 H284 I285 R286R280-M282 VanDerWaalsContact C-N 3.34Å; R280-M282 PolarHBondContact O-N 3.09Å; M282-H284 VanDerWaalsContact C-N 3.32Å; M282-I285 PolarHBondContact O-N 2.84Å; M282-R286 WeakPolarHBondContact O-CG 3.37Å; M282-R286 PolarHBondContact O-N 2.64Å
283Y97.8Very high97.8Very high24 Ų2438.6 Ų38.69%0.09420%0.195CC..Hα-helixtrans-59.8-45.9170.4167.3-105000110.7R280 H281 R286 A287 A354 D366R280-Y283 HydrophobicContact CB-CD1 4.49Å; R280-Y283 WeakPolarHBondContact O-CB 3.38Å; R280-Y283 PolarHBondContact O-N 3.05Å; R280-Y283 VanDerWaalsContact O-N 3.17Å; H281-Y283 PolarHBondContact O-N 3.06Å; Y283-R286 PolarHBondContact O-N 2.88Å; Y283-A287 WeakPolarHBondContact O-CB 3.48Å; Y283-A287 PolarHBondContact O-N 2.96Å; Y283-A354 HydrophobicContact CE1-CB 3.84Å; Y283-D366 WeakPolarHBondContact CD2-O 3.37Å
284H98.4Very high97.7Very high0 Ų044.8 Ų44.80%023%0.227CC..Hα-helixtrans-65.2-44.5176.9-79.1-98000112.2L277 R280 H281 M282 R286 A287 Y288 A354 T358L277-H284 WeakPolarHBondContact CD2-CE1 3.4Å; L277-H284 WeakPolarHBondContact CD2-NE2 3.4Å; R280-H284 PolarHBondContact O-CD2 3.36Å; R280-H284 VanDerWaalsContact O-CD2 3.28Å; R280-H284 PolarHBondContact O-N 3.29Å; R280-H284 VanDerWaalsContact O-N 3.1Å; H281-H284 WeakPolarHBondContact O-CB 3.43Å; H281-H284 PolarHBondContact O-N 2.95Å; H281-H284 VanDerWaalsContact O-N 3.16Å; M282-H284 VanDerWaalsContact C-N 3.32Å; H284-R286 VanDerWaalsContact C-N 3.28Å; H284-R286 PolarHBondContact O-N 2.86Å; H284-A287 CarbonylContact O-C 3.53Å; H284-A287 WeakPolarHBondContact O-CA 3.47Å; H284-A287 WeakPolarHBondContact O-CB 3.44Å; H284-A287 PolarHBondContact O-N 2.9Å; H284-Y288 HydrophobicContact CB-CD2 4.38Å; H284-Y288 HydrophobicContact CB-CE1 4.15Å; H284-Y288 HydrophobicContact CB-CE2 3.94Å; H284-Y288 AromaticContact CG-CZ 3.97Å; H284-Y288 AromaticContact ND1-CE1 3.62Å; H284-Y288 AromaticContact ND1-CZ 3.32Å; H284-Y288 VanDerWaalsContact ND1-CZ 3.32Å; H284-Y288 PolarHBondContact ND1-OH 3.06Å; H284-Y288 WeakPolarHBondContact O-CB 3.35Å; H284-Y288 WeakPolarHBondContact O-CD1 3.44Å; H284-Y288 PolarHBondContact O-N 3.26Å; H284-A354 VanDerWaalsContact CE1-C 3.46Å; H284-A354 PolarHBondContact CE1-O 3.32Å; H284-A354 VanDerWaalsContact CE1-O 3.3Å; H284-T358 WeakPolarHBondContact NE2-CB 3.38Å; H284-T358 PolarHBondContact NE2-OG1 3.36Å
285I97.9Very high97.6Very high3 Ų344.6 Ų44.62%0.01523%0.227CC..Hα-helixtrans-56.4-43.2176.3-67.8-57.5000111.4H281 M282 A287 Y288 L300 I309 R341H281-I285 WeakPolarHBondContact O-CG1 3.5Å; H281-I285 PolarHBondContact O-N 3.11Å; M282-I285 PolarHBondContact O-N 2.84Å; I285-A287 VanDerWaalsContact C-N 3.28Å; I285-A287 PolarHBondContact O-N 3.22Å; I285-Y288 PolarHBondContact O-N 3.48Å; I285-L300 HydrophobicContact CD1-CD1 3.91Å; I285-I309 HydrophobicContact CD1-CG1 4.17Å; I285-I309 HydrophobicContact CG1-CG1 4.3Å; I285-I309 HydrophobicContact CG2-CD1 3.78Å; I285-I309 HydrophobicContact CG2-CG1 3.75Å; I285-R341 HydrophobicContact CD1-CB 4.23Å; I285-R341 HydrophobicContact CD1-CG 4.48Å
286R97.6Very high97.5Very high93 Ų9338.7 Ų38.735%0.35120%0.199SC..Hα-helixtrans-63.9-31.9174.5-73.4-175.3-70.7153.6-2.9113.4M282 Y283 H284 Y288 G292 D366 E367M282-R286 WeakPolarHBondContact O-CG 3.37Å; M282-R286 PolarHBondContact O-N 2.64Å; Y283-R286 PolarHBondContact O-N 2.88Å; H284-R286 VanDerWaalsContact C-N 3.28Å; H284-R286 PolarHBondContact O-N 2.86Å; R286-Y288 VanDerWaalsContact C-N 3.32Å; R286-G292 WeakPolarHBondContact O-CA 3.45Å; R286-D366 VanDerWaalsContact NH2-CB 3.3Å; R286-D366 PolarHBondContact NH2-O 3.38Å; R286-D366 IonicContact NH2-OD1 3.98Å; R286-D366 PolarHBondContact NH2-OD1 3.14Å; R286-E367 IonicContact CZ-OE1 2.99Å; R286-E367 IonicContact NH1-OE1 3.77Å; R286-E367 PolarHBondContact NH1-OE1 2.86Å; R286-E367 IonicContact NH2-OE1 2.59Å
287A97.7Very high97.4Very high7 Ų738.2 Ų38.26%0.05821%0.207CC..Hα-helixtrans-81.4-10.217800000113.6Y283 H284 I285 M350 A354Y283-A287 WeakPolarHBondContact O-CB 3.48Å; Y283-A287 PolarHBondContact O-N 2.96Å; H284-A287 CarbonylContact O-C 3.53Å; H284-A287 WeakPolarHBondContact O-CA 3.47Å; H284-A287 WeakPolarHBondContact O-CB 3.44Å; H284-A287 PolarHBondContact O-N 2.9Å; I285-A287 VanDerWaalsContact C-N 3.28Å; I285-A287 PolarHBondContact O-N 3.22Å; A287-M350 HydrophobicContact CB-CG 3.98Å; A287-M350 HydrophobicContact CB-SD 4.3Å; A287-M350 WeakPolarHBondContact O-CG 3.43Å; A287-A354 HydrophobicContact CB-CB 4.1Å
288Y98.5Very high97.4Very high0 Ų042.7 Ų42.70%022%0.223CC..SBendtrans-101.73-164.3-81.210.4000114.5H284 I285 R286 D339 R341 P342 S343 C346 V351H284-Y288 HydrophobicContact CB-CD2 4.38Å; H284-Y288 HydrophobicContact CB-CE1 4.15Å; H284-Y288 HydrophobicContact CB-CE2 3.94Å; H284-Y288 AromaticContact CG-CZ 3.97Å; H284-Y288 AromaticContact ND1-CE1 3.62Å; H284-Y288 AromaticContact ND1-CZ 3.32Å; H284-Y288 VanDerWaalsContact ND1-CZ 3.32Å; H284-Y288 PolarHBondContact ND1-OH 3.06Å; H284-Y288 WeakPolarHBondContact O-CB 3.35Å; H284-Y288 WeakPolarHBondContact O-CD1 3.44Å; H284-Y288 PolarHBondContact O-N 3.26Å; I285-Y288 PolarHBondContact O-N 3.48Å; R286-Y288 VanDerWaalsContact C-N 3.32Å; Y288-D339 WeakPolarHBondContact CE2-OD2 3.46Å; Y288-D339 PolarHBondContact OH-OD2 3.02Å; Y288-R341 HydrophobicContact CD2-CB 3.58Å; Y288-R341 HydrophobicContact CE2-CB 3.72Å; Y288-P342 HydrophobicContact CD1-CG 4.41Å; Y288-P342 HydrophobicContact CD2-CB 4.25Å; Y288-P342 HydrophobicContact CD2-CG 3.79Å; Y288-P342 HydrophobicContact CE1-CG 4.4Å; Y288-P342 HydrophobicContact CE2-CG 3.74Å; Y288-P342 HydrophobicContact CG-CB 4.22Å; Y288-P342 HydrophobicContact CG-CG 4.11Å; Y288-S343 VanDerWaalsContact O-CB 3.24Å; Y288-S343 WeakPolarHBondContact O-CB 3.42Å; Y288-S343 PolarHBondContact O-N 3.02Å; Y288-C346 VanDerWaalsContact O-CB 3.32Å; Y288-C346 WeakPolarHBondContact O-CB 3.2Å; Y288-V351 HydrophobicContact CD1-CB 4.36Å; Y288-V351 HydrophobicContact CD1-CG1 4.32Å; Y288-V351 HydrophobicContact CD1-CG2 3.79Å; Y288-V351 HydrophobicContact CE1-CB 4.2Å; Y288-V351 HydrophobicContact CE1-CG1 3.83Å; Y288-V351 HydrophobicContact CE1-CG2 4.12Å
289D97.8Very high97.3Very high1 Ų141.2 Ų41.21%0.00521%0.209CC..SBendtrans-151.6157.3157.467.972.4000110.5K291 G292 G293 D295 N296D289-K291 PolarHBondContact O-N 3.37Å; D289-K291 VanDerWaalsContact OD1-CA 3.23Å; D289-K291 WeakPolarHBondContact OD1-CA 3.48Å; D289-K291 WeakPolarHBondContact OD1-CB 3.26Å; D289-K291 PolarHBondContact OD1-N 3.1Å; D289-G292 PolarHBondContact O-N 3.5Å; D289-G292 VanDerWaalsContact O-N 3.16Å; D289-G292 PolarHBondContact OD1-N 3.27Å; D289-G292 VanDerWaalsContact OD1-N 3.14Å; D289-G293 VanDerWaalsContact CG-N 3.33Å; D289-G293 PolarHBondContact OD1-N 2.87Å; D289-G293 VanDerWaalsContact OD1-N 3.09Å; D289-G293 WeakPolarHBondContact OD2-CA 3.42Å; D289-G293 PolarHBondContact OD2-N 3.33Å; D289-D295 HydrophobicContact CB-CB 4.33Å; D289-N296 WeakPolarHBondContact OD2-CB 3.34Å; D289-N296 PolarHBondContact OD2-N 3.41Å
290P97.3Very high97.2Very high48 Ų4834.1 Ų34.131%0.31218%0.179SC..THydrogen-bonded Turntrans-63.8-11.1-177.4-26.338.8000115.2E38 N345E38-P290 HydrophobicContact CG-CB 4.16Å; E38-P290 HydrophobicContact CG-CG 3.7Å; P290-N345 WeakPolarHBondContact CD-O 3.32Å; P290-N345 WeakPolarHBondContact CG-O 3.48Å
291K97.8Very high96.9Very high99 Ų9937 Ų3743%0.4320%0.197SC..THydrogen-bonded Turntrans-107.321.8179.1-57.6-164.2-169.8101.20112.5E38 D289 G293 L294 D295E38-K291 IonicContact OE1-NZ 3.9Å; D289-K291 PolarHBondContact O-N 3.37Å; D289-K291 VanDerWaalsContact OD1-CA 3.23Å; D289-K291 WeakPolarHBondContact OD1-CA 3.48Å; D289-K291 WeakPolarHBondContact OD1-CB 3.26Å; D289-K291 PolarHBondContact OD1-N 3.1Å; K291-G293 PolarHBondContact O-N 3.37Å; K291-L294 HydrophobicContact CB-CB 4.11Å; K291-L294 WeakPolarHBondContact O-CG 3.41Å; K291-L294 PolarHBondContact O-N 3.19Å; K291-D295 WeakPolarHBondContact CD-OD2 3.31Å; K291-D295 WeakPolarHBondContact CG-OD2 3.06Å; K291-D295 IonicContact NZ-OD1 3.23Å; K291-D295 PolarHBondContact NZ-OD1 3.28Å; K291-D295 IonicContact NZ-OD2 2.73Å; K291-D295 PolarHBondContact NZ-OD2 3.05Å
292G96.9Very high96.3Very high38 Ų3838.3 Ų38.339%0.39221%0.214SC..THydrogen-bonded Turntrans70.92717000000114.5R286 D289R286-G292 WeakPolarHBondContact O-CA 3.45Å; D289-G292 PolarHBondContact O-N 3.5Å; D289-G292 VanDerWaalsContact O-N 3.16Å; D289-G292 PolarHBondContact OD1-N 3.27Å; D289-G292 VanDerWaalsContact OD1-N 3.14Å
293G96.4Very high95.5Very high7 Ų740.2 Ų40.27%0.07222%0.222CC..THydrogen-bonded Turntrans104.7-13.6-179.500000113.8D289 K291 D295 N296 A297D289-G293 VanDerWaalsContact CG-N 3.33Å; D289-G293 PolarHBondContact OD1-N 2.87Å; D289-G293 VanDerWaalsContact OD1-N 3.09Å; D289-G293 WeakPolarHBondContact OD2-CA 3.42Å; D289-G293 PolarHBondContact OD2-N 3.33Å; K291-G293 PolarHBondContact O-N 3.37Å; G293-D295 PolarHBondContact O-N 3.25Å; G293-N296 PolarHBondContact O-N 2.84Å; G293-A297 WeakPolarHBondContact O-CB 3.36Å; G293-A297 PolarHBondContact O-N 3.13Å
294L97.1Very high94.7Very high130 Ų13042 Ų4268%0.68123%0.231SC*.THydrogen-bonded Turntrans-66.8-37.9-174-68.6175.9000112.6K291K291-L294 HydrophobicContact CB-CB 4.11Å; K291-L294 WeakPolarHBondContact O-CG 3.41Å; K291-L294 PolarHBondContact O-N 3.19Å
295D97Very high93.6Very high13 Ų1345.9 Ų45.97%0.0725%0.249CC..THydrogen-bonded Turntrans-70.8-45.2176.2-79-36.1000110.5P240 D289 K291 G293 A297 R298 N345P240-D295 HydrophobicContact CG-CB 3.81Å; P240-D295 WeakPolarHBondContact CG-O 3.48Å; D289-D295 HydrophobicContact CB-CB 4.33Å; K291-D295 WeakPolarHBondContact CD-OD2 3.31Å; K291-D295 WeakPolarHBondContact CG-OD2 3.06Å; K291-D295 IonicContact NZ-OD1 3.23Å; K291-D295 PolarHBondContact NZ-OD1 3.28Å; K291-D295 IonicContact NZ-OD2 2.73Å; K291-D295 PolarHBondContact NZ-OD2 3.05Å; G293-D295 PolarHBondContact O-N 3.25Å; D295-A297 VanDerWaalsContact C-N 3.26Å; D295-A297 PolarHBondContact O-N 2.58Å; D295-R298 WeakPolarHBondContact O-CB 3.26Å; D295-R298 PolarHBondContact O-N 2.88Å; D295-R298 IonicContact OD1-CZ 4Å; D295-R298 IonicContact OD1-NH2 3.02Å; D295-R298 PolarHBondContact OD1-NH2 2.8Å; D295-N345 PolarHBondContact OD2-ND2 3.25Å
296N96.1Very high92.5Very high0 Ų046.5 Ų46.50%025%0.253CS..G310 helixtrans-68.9-23.5-175.6-15415.6000113.1D289 G293 R298 R299 L300 R341D289-N296 WeakPolarHBondContact OD2-CB 3.34Å; D289-N296 PolarHBondContact OD2-N 3.41Å; G293-N296 PolarHBondContact O-N 2.84Å; N296-R298 PolarHBondContact O-N 3.16Å; N296-R299 WeakPolarHBondContact O-CA 3.45Å; N296-R299 WeakPolarHBondContact O-CB 3.45Å; N296-R299 PolarHBondContact O-N 3.04Å; N296-R299 VanDerWaalsContact OD1-CZ 3.29Å; N296-R299 PolarHBondContact OD1-NE 3.04Å; N296-R299 PolarHBondContact OD1-NH2 3.09Å; N296-L300 WeakPolarHBondContact ND2-CD1 3.47Å; N296-L300 PolarHBondContact O-N 2.92Å; N296-R341 PolarHBondContact ND2-O 3.22Å
297A96.4Very high91.7Very high45 Ų4542.4 Ų42.437%0.37224%0.239SC..G310 helixtrans-57-28.3172.800000113.1G293 D295 R299 I309G293-A297 WeakPolarHBondContact O-CB 3.36Å; G293-A297 PolarHBondContact O-N 3.13Å; D295-A297 VanDerWaalsContact C-N 3.26Å; D295-A297 PolarHBondContact O-N 2.58Å; A297-R299 VanDerWaalsContact C-N 3.25Å; A297-R299 PolarHBondContact O-N 3.2Å; A297-I309 HydrophobicContact CB-CD1 3.84Å
298R97Very high91.2Very high93 Ų9344.8 Ų44.835%0.35125%0.25SS..G310 helixtrans-72.7-19.4174.9-62.3-177.9-74.1128.6-8.2113D239 K241 D295 N296D239-R298 IonicContact OD1-CZ 3.53Å; D239-R298 IonicContact OD1-NH1 2.76Å; D239-R298 PolarHBondContact OD1-NH1 2.97Å; D239-R298 IonicContact OD1-NH2 3.44Å; D239-R298 PolarHBondContact OD1-NH2 3.48Å; D239-R298 IonicContact OD2-CZ 3.43Å; D239-R298 IonicContact OD2-NH1 3.22Å; D239-R298 PolarHBondContact OD2-NH1 3.39Å; D239-R298 IonicContact OD2-NH2 2.72Å; D239-R298 PolarHBondContact OD2-NH2 2.93Å; K241-R298 HydrophobicContact CB-CB 3.72Å; K241-R298 HydrophobicContact CG-CB 4.2Å; K241-R298 WeakPolarHBondContact CG-O 3.42Å; K241-R298 PolarHBondContact O-NH1 2.88Å; D295-R298 WeakPolarHBondContact O-CB 3.26Å; D295-R298 PolarHBondContact O-N 2.88Å; D295-R298 IonicContact OD1-CZ 4Å; D295-R298 IonicContact OD1-NH2 3.02Å; D295-R298 PolarHBondContact OD1-NH2 2.8Å; N296-R298 PolarHBondContact O-N 3.16Å
299R96.9Very high91Very high9 Ų945.9 Ų45.93%0.03426%0.256CS..THydrogen-bonded Turntrans-101.9-52.9-176.6-178.1-177.37494.62.3112.2P240 A250 N296 A297 T301 T306 R340 R341 P342P240-R299 HydrophobicContact CB-CB 3.97Å; P240-R299 WeakPolarHBondContact O-CD 3.49Å; A250-R299 WeakPolarHBondContact O-CD 3.38Å; N296-R299 WeakPolarHBondContact O-CA 3.45Å; N296-R299 WeakPolarHBondContact O-CB 3.45Å; N296-R299 PolarHBondContact O-N 3.04Å; N296-R299 VanDerWaalsContact OD1-CZ 3.29Å; N296-R299 PolarHBondContact OD1-NE 3.04Å; N296-R299 PolarHBondContact OD1-NH2 3.09Å; A297-R299 VanDerWaalsContact C-N 3.25Å; A297-R299 PolarHBondContact O-N 3.2Å; R299-T301 VanDerWaalsContact C-N 3.3Å; R299-T301 PolarHBondContact O-N 3.48Å; R299-T301 PolarHBondContact O-OG1 3.2Å; R299-T306 HydrophobicContact CG-CG2 4.15Å; R299-T306 PolarHBondContact O-OG1 2.81Å; R299-R340 PolarHBondContact NH1-O 2.84Å; R299-R340 PolarHBondContact NH2-O 2.78Å; R299-R341 PolarHBondContact NH2-O 3.14Å; R299-P342 PolarHBondContact NH2-O 3.23Å
300L95.2Very high90.7Very high3 Ų351.4 Ų51.42%0.01629%0.285CS..  trans-77.173.8-174.9-67.6-176.3000112.1I285 N296 T306 S307 I309 R341I285-L300 HydrophobicContact CD1-CD1 3.91Å; N296-L300 WeakPolarHBondContact ND2-CD1 3.47Å; N296-L300 PolarHBondContact O-N 2.92Å; L300-T306 HydrophobicContact CD2-CG2 4.19Å; L300-S307 CarbonylContact C-O 3.6Å; L300-S307 VanDerWaalsContact CA-O 3.31Å; L300-S307 WeakPolarHBondContact CA-O 3.35Å; L300-S307 WeakPolarHBondContact CB-O 3.37Å; L300-I309 HydrophobicContact CB-CB 3.88Å; L300-I309 HydrophobicContact CB-CG1 4.44Å; L300-I309 HydrophobicContact CD1-CB 4.45Å; L300-I309 HydrophobicContact CD1-CG1 4.25Å; L300-I309 PolarHBondContact O-N 3.44Å; L300-I309 VanDerWaalsContact O-N 3.1Å; L300-R341 HydrophobicContact CD1-CB 4.46Å
301T92.1Very high90.5Very high64 Ų6455.2 Ų55.239%0.39330%0.299SS..BIsolated β-bridgetrans-107.9-1.2-17457.10000113.6R299 H303 T306R299-T301 VanDerWaalsContact C-N 3.3Å; R299-T301 PolarHBondContact O-N 3.48Å; R299-T301 PolarHBondContact O-OG1 3.2Å; T301-H303 PolarHBondContact O-N 3.41Å; T301-T306 PolarHBondContact N-OG1 3.3Å
302G83.1Confident90.4Very high41 Ų4153 Ų5342%0.42329%0.289SS..SBendtrans83.2-4.1-171.300000114.2T306 S307G302-T306 CarbonylContact C-O 3.56Å; G302-T306 VanDerWaalsContact C-O 3.27Å; G302-T306 WeakPolarHBondContact CA-O 3.47Å; G302-S307 PolarHBondContact N-O 3.18Å
303H80Confident90.3Very high127 Ų12753.3 Ų53.359%0.58829%0.285SS*.  trans-109.3166.6175.8-62.6-55.3000111.3T301 E305 T306T301-H303 PolarHBondContact O-N 3.41Å; H303-E305 PolarHBondContact O-N 2.91Å; H303-T306 PolarHBondContact O-N 2.94Å; H303-T306 PolarHBondContact O-OG1 2.97Å
304H81.3Confident90.3Very high61 Ų6155.3 Ų55.328%0.28230%0.302SS..THydrogen-bonded Turntrans54.749.3174.9-48.4-58.8000114.1N246 T306N246-H304 PolarHBondContact OD1-CE1 3.5Å; H304-T306 VanDerWaalsContact C-N 3.29Å; H304-T306 PolarHBondContact O-N 3.2Å
305E74.8Confident90.1Very high81 Ų8150 Ų5038%0.37928%0.278SS..THydrogen-bonded Turntrans62.727.6179.9-49.8-170.5-175.800115.2H303 R319H303-E305 PolarHBondContact O-N 2.91Å; E305-R319 VanDerWaalsContact O-O 3.08Å; E305-R319 WeakPolarHBondContact OE2-CD 3.12Å; E305-R319 IonicContact OE2-CZ 3.67Å; E305-R319 IonicContact OE2-NH1 3.93Å; E305-R319 PolarHBondContact OE2-NH1 3.44Å
306T75.8Confident90Very high16 Ų1653.2 Ų53.210%0.09830%0.298CS..  trans-119.1154.9174.166.60000111.8R299 L300 T301 G302 H303 H304R299-T306 HydrophobicContact CG-CG2 4.15Å; R299-T306 PolarHBondContact O-OG1 2.81Å; L300-T306 HydrophobicContact CD2-CG2 4.19Å; T301-T306 PolarHBondContact N-OG1 3.3Å; G302-T306 CarbonylContact C-O 3.56Å; G302-T306 VanDerWaalsContact C-O 3.27Å; G302-T306 WeakPolarHBondContact CA-O 3.47Å; H303-T306 PolarHBondContact O-N 2.94Å; H303-T306 PolarHBondContact O-OG1 2.97Å; H304-T306 VanDerWaalsContact C-N 3.29Å; H304-T306 PolarHBondContact O-N 3.2Å
307S81.4Confident89.6Confident8 Ų854.8 Ų54.86%0.05631%0.311CS..  trans-81.5164.7167.272.50000110.7L300 G302 G320 S322L300-S307 CarbonylContact C-O 3.6Å; L300-S307 VanDerWaalsContact CA-O 3.31Å; L300-S307 WeakPolarHBondContact CA-O 3.35Å; L300-S307 WeakPolarHBondContact CB-O 3.37Å; G302-S307 PolarHBondContact N-O 3.18Å; S307-G320 WeakPolarHBondContact CA-O 3.46Å; S307-G320 WeakPolarHBondContact CB-O 3.3Å; S307-S322 PolarHBondContact OG-OG 2.9Å
308N87.6Confident89.3Confident56 Ų5656.3 Ų56.330%0.29931%0.313SS..BIsolated β-bridgetrans-62.8144.4163.4-173-28.4000109.1D310 E311N308-D310 VanDerWaalsContact C-N 3.28Å; N308-D310 PolarHBondContact O-N 2.89Å; N308-D310 PolarHBondContact OD1-N 3.37Å; N308-E311 HydrophobicContact CB-CB 4.32Å; N308-E311 HydrophobicContact CB-CG 4.44Å
309I92.6Very high88.7Confident24 Ų2457.1 Ų57.112%0.12332%0.316CS..SBendtrans-67.4-24.2177.8-165.6162.5000113.8H281 I285 A297 L300H281-I309 PolarHBondContact NE2-O 3.02Å; I285-I309 HydrophobicContact CD1-CG1 4.17Å; I285-I309 HydrophobicContact CG1-CG1 4.3Å; I285-I309 HydrophobicContact CG2-CD1 3.78Å; I285-I309 HydrophobicContact CG2-CG1 3.75Å; A297-I309 HydrophobicContact CB-CD1 3.84Å; L300-I309 HydrophobicContact CB-CB 3.88Å; L300-I309 HydrophobicContact CB-CG1 4.44Å; L300-I309 HydrophobicContact CD1-CB 4.45Å; L300-I309 HydrophobicContact CD1-CG1 4.25Å; L300-I309 PolarHBondContact O-N 3.44Å; L300-I309 VanDerWaalsContact O-N 3.1Å
310D92.2Very high88.1Confident116 Ų11658.2 Ų58.262%0.6233%0.33SS*.SBendtrans-92.8-13.2-177.2-63.1-43.9000113N308N308-D310 VanDerWaalsContact C-N 3.28Å; N308-D310 PolarHBondContact O-N 2.89Å; N308-D310 PolarHBondContact OD1-N 3.37Å
311E92.3Very high88Confident128 Ų12858.1 Ų58.160%0.59833%0.33SS*.  trans-116.1129.6-173-63.5-179177.100111.5N308 S322N308-E311 HydrophobicContact CB-CB 4.32Å; N308-E311 HydrophobicContact CB-CG 4.44Å; E311-S322 PolarHBondContact O-OG 2.97Å
312F96.4Very high88.2Confident53 Ų5355.1 Ų55.123%0.23231%0.311CS..  trans-90.2132.1170.3-174.8-88000111I274 L277 A278 H281 A314 I323I274-F312 HydrophobicContact CG2-CE1 3.96Å; I274-F312 HydrophobicContact CG2-CZ 3.94Å; L277-F312 HydrophobicContact CB-CE2 3.97Å; L277-F312 HydrophobicContact CB-CZ 4.09Å; A278-F312 HydrophobicContact CB-CD1 3.42Å; A278-F312 VanDerWaalsContact CB-CD1 3.42Å; A278-F312 HydrophobicContact CB-CD2 4.45Å; A278-F312 HydrophobicContact CB-CE1 3.51Å; A278-F312 HydrophobicContact CB-CG 3.92Å; A278-F312 HydrophobicContact CB-CZ 4.05Å; H281-F312 HydrophobicContact CB-CB 4.25Å; H281-F312 HydrophobicContact CB-CD2 4.42Å; H281-F312 AromaticContact ND1-CD2 3.57Å; F312-A314 HydrophobicContact CE1-CB 4.24Å; F312-I323 HydrophobicContact CE2-CD1 4.26Å; F312-I323 HydrophobicContact CE2-CG1 3.6Å; F312-I323 HydrophobicContact CZ-CB 4.41Å; F312-I323 HydrophobicContact CZ-CG1 3.45Å; F312-I323 VanDerWaalsContact CZ-CG1 3.45Å
313S95.9Very high88.9Confident44 Ų4453.1 Ų53.131%0.30829%0.291SS..  trans-140.6150.6173.355.20000111.7A321 S322 I323S313-A321 WeakPolarHBondContact OG-CA 3.37Å; S313-S322 PolarHBondContact N-OG 3.18Å; S313-S322 VanDerWaalsContact N-OG 3.08Å; S313-S322 WeakPolarHBondContact O-CA 3.49Å; S313-S322 VanDerWaalsContact O-CB 3.23Å; S313-S322 WeakPolarHBondContact O-CB 3.38Å; S313-S322 PolarHBondContact O-N 3.28Å; S313-S322 PolarHBondContact OG-N 2.62Å; S313-S322 VanDerWaalsContact OG-N 3.14Å; S313-S322 PolarHBondContact OG-OG 2.93Å; S313-I323 PolarHBondContact O-N 2.93Å
314A95.9Very high89.8Confident50 Ų5049.1 Ų49.141%0.41327%0.271SS..EExtended strand (participates in β ladder)trans-138147.6175.600000111.3I274 F312 I323I274-A314 HydrophobicContact CG2-CB 3.55Å; F312-A314 HydrophobicContact CE1-CB 4.24Å; A314-I323 VanDerWaalsContact CA-O 3.24Å; A314-I323 WeakPolarHBondContact CA-O 3.49Å; A314-I323 HydrophobicContact CB-CB 4.12Å
315G93.3Very high90.6Very high18 Ų1846.8 Ų46.819%0.18626%0.26CS..EExtended strand (participates in β ladder)trans-169.8155.3176.500000115A317 I323 I325G315-A317 PolarHBondContact O-N 2.89Å; G315-I323 PolarHBondContact N-O 2.58Å; G315-I323 VanDerWaalsContact N-O 3.13Å; G315-I325 PolarHBondContact O-N 3Å
316V93.4Very high91.7Very high81 Ų8143.3 Ų43.349%0.49125%0.245SC..EExtended strand (participates in β ladder)trans-71.8122.2174.9-1790000109.5N318 I325V316-N318 PolarHBondContact O-N 2.64Å; V316-I325 CarbonylContact C-O 3.5Å; V316-I325 WeakPolarHBondContact CA-O 3.3Å; V316-I325 HydrophobicContact CG2-CB 4.29Å
317A88.9Confident92.7Very high33 Ų3350 Ų5027%0.27327%0.268SS..THydrogen-bonded Turntrans52.724.4-179.400000114.5G315 I325 R327G315-A317 PolarHBondContact O-N 2.89Å; A317-I325 PolarHBondContact N-O 3.28Å; A317-R327 HydrophobicContact CB-CB 4.18Å
318N89.8Confident93.5Very high76 Ų7653.4 Ų53.441%0.40629%0.289SS..  trans-89.9111.2178.2-174.4-3.9000109.9V316 G320 A321V316-N318 PolarHBondContact O-N 2.64Å; N318-G320 PolarHBondContact OD1-N 3.46Å; N318-A321 HydrophobicContact CB-CB 3.98Å
319R84.8Confident93.9Very high110 Ų11051 Ų5142%0.41528%0.276SS..THydrogen-bonded Turntrans-74.3-23178.6-74.6-176.5171.5-114.11113.5E305 A321 R340E305-R319 VanDerWaalsContact O-O 3.08Å; E305-R319 WeakPolarHBondContact OE2-CD 3.12Å; E305-R319 IonicContact OE2-CZ 3.67Å; E305-R319 IonicContact OE2-NH1 3.93Å; E305-R319 PolarHBondContact OE2-NH1 3.44Å; R319-A321 VanDerWaalsContact C-N 3.29Å; R319-A321 PolarHBondContact O-N 3.28Å; R319-R340 VanDerWaalsContact C-NH1 3.25Å; R319-R340 PolarHBondContact O-NH1 2.72Å
320G84.6Confident94Very high32 Ų3250.9 Ų50.933%0.3328%0.281SS..THydrogen-bonded Turntrans-84.1-2.117700000114.3S307 N318S307-G320 WeakPolarHBondContact CA-O 3.46Å; S307-G320 WeakPolarHBondContact CB-O 3.3Å; N318-G320 PolarHBondContact OD1-N 3.46Å
321A92.4Very high94.2Very high1 Ų152 Ų521%0.00828%0.282CS..SBendtrans-84.7154.4-177.200000112.3S313 N318 R319 I323S313-A321 WeakPolarHBondContact OG-CA 3.37Å; N318-A321 HydrophobicContact CB-CB 3.98Å; R319-A321 VanDerWaalsContact C-N 3.29Å; R319-A321 PolarHBondContact O-N 3.28Å; A321-I323 WeakPolarHBondContact CB-O 3.36Å
322S96.2Very high94.5Very high1 Ų152 Ų521%0.00728%0.282CS..SBendtrans-64.1-44.8171.9-45.60000111.5S307 E311 S313 R340S307-S322 PolarHBondContact OG-OG 2.9Å; E311-S322 PolarHBondContact O-OG 2.97Å; S313-S322 PolarHBondContact N-OG 3.18Å; S313-S322 VanDerWaalsContact N-OG 3.08Å; S313-S322 WeakPolarHBondContact O-CA 3.49Å; S313-S322 VanDerWaalsContact O-CB 3.23Å; S313-S322 WeakPolarHBondContact O-CB 3.38Å; S313-S322 PolarHBondContact O-N 3.28Å; S313-S322 PolarHBondContact OG-N 2.62Å; S313-S322 VanDerWaalsContact OG-N 3.14Å; S313-S322 PolarHBondContact OG-OG 2.93Å; S322-R340 PolarHBondContact O-N 2.78Å
323I98.2Very high94.6Very high0 Ų055.8 Ų55.80%030%0.298CS..EExtended strand (participates in β ladder)trans-115.9129.6173.1-52.2-59.3000110.5I274 L277 F312 S313 A314 G315 A321 F337 E338 D339I274-I323 HydrophobicContact CD1-CG2 3.79Å; I274-I323 HydrophobicContact CG1-CG2 3.86Å; L277-I323 HydrophobicContact CD1-CD1 4.04Å; L277-I323 HydrophobicContact CD1-CG1 4.41Å; F312-I323 HydrophobicContact CE2-CD1 4.26Å; F312-I323 HydrophobicContact CE2-CG1 3.6Å; F312-I323 HydrophobicContact CZ-CB 4.41Å; F312-I323 HydrophobicContact CZ-CG1 3.45Å; F312-I323 VanDerWaalsContact CZ-CG1 3.45Å; S313-I323 PolarHBondContact O-N 2.93Å; A314-I323 VanDerWaalsContact CA-O 3.24Å; A314-I323 WeakPolarHBondContact CA-O 3.49Å; A314-I323 HydrophobicContact CB-CB 4.12Å; G315-I323 PolarHBondContact N-O 2.58Å; G315-I323 VanDerWaalsContact N-O 3.13Å; A321-I323 WeakPolarHBondContact CB-O 3.36Å; I323-F337 HydrophobicContact CD1-CD2 4.48Å; I323-F337 HydrophobicContact CD1-CE2 4.39Å; I323-F337 HydrophobicContact CG2-CB 4Å; I323-F337 HydrophobicContact CG2-CD2 3.54Å; I323-F337 HydrophobicContact CG2-CE2 4.33Å; I323-F337 HydrophobicContact CG2-CG 4.05Å; I323-E338 WeakPolarHBondContact CA-O 3.32Å; I323-D339 HydrophobicContact CD1-CB 3.68Å; I323-D339 WeakPolarHBondContact CD1-OD1 3.29Å
324R98.1Very high94.7Very high43 Ų4359.2 Ų59.216%0.16231%0.305CS..EExtended strand (participates in β ladder)trans-108.7129.9175.3-171.3-178.287.2-177.30.4110.1E338 R340R324-E338 HydrophobicContact CB-CB 4.27Å; R324-E338 WeakPolarHBondContact CB-OE2 3.38Å; R324-E338 WeakPolarHBondContact CD-OE2 3.44Å; R324-E338 IonicContact CZ-OE1 2.69Å; R324-E338 IonicContact CZ-OE2 2.91Å; R324-E338 PolarHBondContact N-O 2.97Å; R324-E338 IonicContact NE-OE1 3.6Å; R324-E338 PolarHBondContact NE-OE1 3.36Å; R324-E338 IonicContact NE-OE2 2.63Å; R324-E338 PolarHBondContact NE-OE2 3.44Å; R324-E338 IonicContact NH1-OE1 2.79Å; R324-E338 IonicContact NH1-OE2 3.92Å; R324-E338 IonicContact NH2-OE1 2.77Å; R324-E338 PolarHBondContact NH2-OE1 3.11Å; R324-E338 IonicContact NH2-OE2 3.87Å; R324-E338 PolarHBondContact O-N 2.97Å; R324-R340 HydrophobicContact CB-CG 4.47Å
325I98.3Very high94.8Very high12 Ų1257.6 Ų57.66%0.06229%0.293CS..EExtended strand (participates in β ladder)trans-93.9118.9164.4-58.2175.6000107.1L267 I270 I274 G315 V316 A317 V329L267-I325 HydrophobicContact CD1-CD1 4.31Å; L267-I325 HydrophobicContact CD1-CG2 4.3Å; I270-I325 HydrophobicContact CG2-CD1 4.16Å; I270-I325 HydrophobicContact CG2-CG1 4.25Å; I274-I325 HydrophobicContact CD1-CD1 3.74Å; I274-I325 HydrophobicContact CD1-CG1 3.79Å; G315-I325 PolarHBondContact O-N 3Å; V316-I325 CarbonylContact C-O 3.5Å; V316-I325 WeakPolarHBondContact CA-O 3.3Å; V316-I325 HydrophobicContact CG2-CB 4.29Å; A317-I325 PolarHBondContact N-O 3.28Å; I325-V329 HydrophobicContact CG2-CB 4.07Å; I325-V329 HydrophobicContact CG2-CG1 3.78Å
326P97.9Very high95.1Very high8 Ų860.9 Ų60.95%0.05230%0.3CS..  trans-55.8146.8177-23.531.6000112T328 V329 G330 Y336P326-T328 VanDerWaalsContact C-N 3.27Å; P326-T328 PolarHBondContact O-N 3.4Å; P326-V329 HydrophobicContact CB-CB 4.23Å; P326-V329 HydrophobicContact CB-CG2 3.92Å; P326-V329 HydrophobicContact CG-CB 4.44Å; P326-V329 HydrophobicContact CG-CG2 3.91Å; P326-V329 WeakPolarHBondContact O-CB 3.19Å; P326-V329 PolarHBondContact O-N 3.36Å; P326-V329 VanDerWaalsContact O-N 3.11Å; P326-G330 PolarHBondContact O-N 3.11Å; P326-Y336 WeakPolarHBondContact CD-O 3.48Å; P326-Y336 HydrophobicContact CG-CD2 4.07Å; P326-Y336 HydrophobicContact CG-CE1 4.4Å; P326-Y336 HydrophobicContact CG-CE2 3.45Å; P326-Y336 VanDerWaalsContact CG-CE2 3.45Å
327R97.3Very high95.3Very high157 Ų15757 Ų5759%0.59228%0.277SS*.Hα-helixtrans-57.9-42.4-178-171.6175.8-60.9-74.5-1.4112.1A317 G330 Q331A317-R327 HydrophobicContact CB-CB 4.18Å; R327-G330 PolarHBondContact O-N 2.99Å; R327-Q331 WeakPolarHBondContact O-CG 3.23Å; R327-Q331 PolarHBondContact O-N 3.43Å; R327-Q331 VanDerWaalsContact O-N 3.08Å
328T96.4Very high95.8Very high79 Ų7955.5 Ų55.549%0.48526%0.264SS..Hα-helixtrans-62.6-41.6177.445.70000111.7P326 G330 Q331 E332P326-T328 VanDerWaalsContact C-N 3.27Å; P326-T328 PolarHBondContact O-N 3.4Å; T328-G330 PolarHBondContact O-N 2.59Å; T328-Q331 PolarHBondContact O-N 3.21Å; T328-Q331 VanDerWaalsContact O-N 3.15Å; T328-E332 WeakPolarHBondContact O-CB 3.46Å; T328-E332 WeakPolarHBondContact O-CG 3.12Å; T328-E332 PolarHBondContact O-N 3.42Å
329V97Very high96.2Very high5 Ų551.9 Ų51.93%0.0324%0.244CC..Hα-helixtrans-61.5-43.1175172.20000111.5I270 I325 P326 Q331 K333 R334 Y336I270-V329 HydrophobicContact CD1-CG1 3.77Å; I325-V329 HydrophobicContact CG2-CB 4.07Å; I325-V329 HydrophobicContact CG2-CG1 3.78Å; P326-V329 HydrophobicContact CB-CB 4.23Å; P326-V329 HydrophobicContact CB-CG2 3.92Å; P326-V329 HydrophobicContact CG-CB 4.44Å; P326-V329 HydrophobicContact CG-CG2 3.91Å; P326-V329 WeakPolarHBondContact O-CB 3.19Å; P326-V329 PolarHBondContact O-N 3.36Å; P326-V329 VanDerWaalsContact O-N 3.11Å; V329-Q331 VanDerWaalsContact C-N 3.29Å; V329-Q331 PolarHBondContact O-N 2.68Å; V329-K333 VanDerWaalsContact O-CA 3.29Å; V329-K333 WeakPolarHBondContact O-CA 2.92Å; V329-K333 PolarHBondContact O-N 2.87Å; V329-R334 PolarHBondContact O-N 3.47Å; V329-Y336 HydrophobicContact CG2-CD1 4.22Å; V329-Y336 HydrophobicContact CG2-CE1 4.31Å
330G95.5Very high96.9Very high22 Ų2247.3 Ų47.323%0.22723%0.227CC..Hα-helixtrans-63.2-33.8175.400000113.3P326 R327 T328P326-G330 PolarHBondContact O-N 3.11Å; R327-G330 PolarHBondContact O-N 2.99Å; T328-G330 PolarHBondContact O-N 2.59Å
331Q96.2Very high97.5Very high139 Ų13945.8 Ų45.865%0.6521%0.211SC*.Hα-helixtrans-76-46.7177.7-72.1173.1-24.200112.5R327 T328 V329 K333R327-Q331 WeakPolarHBondContact O-CG 3.23Å; R327-Q331 PolarHBondContact O-N 3.43Å; R327-Q331 VanDerWaalsContact O-N 3.08Å; T328-Q331 PolarHBondContact O-N 3.21Å; T328-Q331 VanDerWaalsContact O-N 3.15Å; V329-Q331 VanDerWaalsContact C-N 3.29Å; V329-Q331 PolarHBondContact O-N 2.68Å; Q331-K333 VanDerWaalsContact C-N 3.27Å; Q331-K333 PolarHBondContact O-N 2.84Å
332E97.4Very high97.8Very high127 Ų12745.7 Ų45.759%0.59321%0.211SC*.Hα-helixtrans-79.5-12.4-179.3-66.1-176.3-164.300113.1T328 R334T328-E332 WeakPolarHBondContact O-CB 3.46Å; T328-E332 WeakPolarHBondContact O-CG 3.12Å; T328-E332 PolarHBondContact O-N 3.42Å; E332-R334 HydrophobicContact CB-CG 4.36Å; E332-R334 PolarHBondContact O-N 3.41Å
333K98.1Very high98Very high133 Ų13345.7 Ų45.758%0.57821%0.211SC*.THydrogen-bonded Turntrans57.830.9-179.8-55.5-176.4177.6-176.90114G266 L267 V329 Q331G266-K333 PolarHBondContact N-O 3.17Å; L267-K333 HydrophobicContact CB-CB 4.08Å; L267-K333 WeakPolarHBondContact CB-O 3.45Å; L267-K333 HydrophobicContact CD2-CB 4.23Å; L267-K333 HydrophobicContact CD2-CG 4.15Å; L267-K333 PolarHBondContact N-O 2.88Å; V329-K333 VanDerWaalsContact O-CA 3.29Å; V329-K333 WeakPolarHBondContact O-CA 2.92Å; V329-K333 PolarHBondContact O-N 2.87Å; Q331-K333 VanDerWaalsContact C-N 3.27Å; Q331-K333 PolarHBondContact O-N 2.84Å
334R98.4Very high98Very high117 Ų11745.7 Ų45.744%0.44221%0.211SC..  trans-163.5159.4176.466.1-173.1-177.5166.1-2.4110.4M261 R262 E263 V329 E332M261-R334 CarbonylContact O-C 3.58Å; M261-R334 WeakPolarHBondContact O-CA 3.28Å; R262-R334 WeakPolarHBondContact O-CD 3.45Å; E263-R334 WeakPolarHBondContact O-CB 3.27Å; V329-R334 PolarHBondContact O-N 3.47Å; E332-R334 HydrophobicContact CB-CG 4.36Å; E332-R334 PolarHBondContact O-N 3.41Å
335G98.6Very high98Very high15 Ų1544 Ų4416%0.15521%0.205CC..SBendtrans137.8-116.7176.700000112.1S257 M261S257-G335 WeakPolarHBondContact CB-O 3.4Å; M261-G335 CarbonylContact C-O 3.51Å; M261-G335 WeakPolarHBondContact CB-O 3.04Å; M261-G335 PolarHBondContact O-N 3.24Å
336Y98.8Very high98Very high87 Ų8743.4 Ų43.434%0.34120%0.202SC..  trans-143.1166.1-173.564.7-88.3000111.2N255 F256 P326 V329N255-Y336 HydrophobicContact CB-CD2 3.85Å; N255-Y336 HydrophobicContact CB-CE2 4.07Å; N255-Y336 WeakPolarHBondContact OD1-CE2 3.47Å; F256-Y336 WeakPolarHBondContact O-CA 3.38Å; F256-Y336 VanDerWaalsContact O-CB 3.3Å; F256-Y336 WeakPolarHBondContact O-CB 3.5Å; P326-Y336 WeakPolarHBondContact CD-O 3.48Å; P326-Y336 HydrophobicContact CG-CD2 4.07Å; P326-Y336 HydrophobicContact CG-CE1 4.4Å; P326-Y336 HydrophobicContact CG-CE2 3.45Å; P326-Y336 VanDerWaalsContact CG-CE2 3.45Å; V329-Y336 HydrophobicContact CG2-CD1 4.22Å; V329-Y336 HydrophobicContact CG2-CE1 4.31Å
337F98.8Very high98.1Very high0 Ų043.3 Ų43.30%020%0.201CC..EExtended strand (participates in β ladder)trans-116.3162162.768.3-94.2000110.5N255 F256 M261 I270 I274 L277 I323 D339 L355N255-F337 CarbonylContact C-O 3.56Å; N255-F337 WeakPolarHBondContact CA-O 3.47Å; F256-F337 HydrophobicContact CB-CE1 4.44Å; F256-F337 HydrophobicContact CB-CE2 4.44Å; F256-F337 HydrophobicContact CB-CZ 4.19Å; F256-F337 AromaticContact CD1-CE1 3.61Å; F256-F337 HydrophobicContact CD1-CE1 3.61Å; F256-F337 AromaticContact CD1-CZ 3.56Å; F256-F337 HydrophobicContact CD1-CZ 3.56Å; F256-F337 HydrophobicContact CE1-CE1 4.4Å; F256-F337 HydrophobicContact CE1-CZ 4.47Å; F256-F337 HydrophobicContact CG-CE1 4.49Å; F256-F337 HydrophobicContact CG-CZ 4.36Å; F256-F337 PolarHBondContact N-O 3.22Å; F256-F337 PolarHBondContact O-N 3.44Å; F256-F337 VanDerWaalsContact O-N 3.16Å; M261-F337 HydrophobicContact CE-CE1 4.14Å; M261-F337 HydrophobicContact SD-CD1 4.45Å; M261-F337 HydrophobicContact SD-CE1 4.35Å; I270-F337 HydrophobicContact CG2-CB 3.9Å; I270-F337 HydrophobicContact CG2-CD1 3.98Å; I270-F337 HydrophobicContact CG2-CG 4.36Å; I274-F337 HydrophobicContact CD1-CB 4.39Å; I274-F337 HydrophobicContact CG1-CG 4.48Å; L277-F337 HydrophobicContact CD1-CE2 3.56Å; L277-F337 HydrophobicContact CD1-CZ 3.56Å; I323-F337 HydrophobicContact CD1-CD2 4.48Å; I323-F337 HydrophobicContact CD1-CE2 4.39Å; I323-F337 HydrophobicContact CG2-CB 4Å; I323-F337 HydrophobicContact CG2-CD2 3.54Å; I323-F337 HydrophobicContact CG2-CE2 4.33Å; I323-F337 HydrophobicContact CG2-CG 4.05Å; F337-D339 HydrophobicContact CE2-CB 4.48Å; F337-L355 HydrophobicContact CE2-CD2 4.47Å; F337-L355 HydrophobicContact CZ-CD2 4.46Å
338E98.8Very high98.2Very high1 Ų135.8 Ų35.81%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-113.5116.1-179.5177.5-166.7-85.500109.2H253 N255 I323 R324 R340H253-E338 HydrophobicContact CB-CG 4Å; N255-E338 WeakPolarHBondContact OD1-CB 3.33Å; I323-E338 WeakPolarHBondContact CA-O 3.32Å; R324-E338 HydrophobicContact CB-CB 4.27Å; R324-E338 WeakPolarHBondContact CB-OE2 3.38Å; R324-E338 WeakPolarHBondContact CD-OE2 3.44Å; R324-E338 IonicContact CZ-OE1 2.69Å; R324-E338 IonicContact CZ-OE2 2.91Å; R324-E338 PolarHBondContact N-O 2.97Å; R324-E338 IonicContact NE-OE1 3.6Å; R324-E338 PolarHBondContact NE-OE1 3.36Å; R324-E338 IonicContact NE-OE2 2.63Å; R324-E338 PolarHBondContact NE-OE2 3.44Å; R324-E338 IonicContact NH1-OE1 2.79Å; R324-E338 IonicContact NH1-OE2 3.92Å; R324-E338 IonicContact NH2-OE1 2.77Å; R324-E338 PolarHBondContact NH2-OE1 3.11Å; R324-E338 IonicContact NH2-OE2 3.87Å; R324-E338 PolarHBondContact O-N 2.97Å; E338-R340 HydrophobicContact CG-CG 3.98Å; E338-R340 WeakPolarHBondContact OE2-CD 3.48Å; E338-R340 WeakPolarHBondContact OE2-CG 3.34Å; E338-R340 IonicContact OE2-NE 3.55Å; E338-R340 PolarHBondContact OE2-NE 2.97Å
339D98.8Very high98.3Very high0 Ų032.1 Ų32.10%015%0.15CC..EExtended strand (participates in β ladder)trans-85.7114.3169.5-166.8-20.1000109.9H253 T254 Y288 I323 F337 R341 P342H253-D339 CarbonylContact C-O 3.55Å; H253-D339 WeakPolarHBondContact CA-O 3.45Å; T254-D339 PolarHBondContact N-O 2.85Å; T254-D339 PolarHBondContact O-N 3.21Å; Y288-D339 WeakPolarHBondContact CE2-OD2 3.46Å; Y288-D339 PolarHBondContact OH-OD2 3.02Å; I323-D339 HydrophobicContact CD1-CB 3.68Å; I323-D339 WeakPolarHBondContact CD1-OD1 3.29Å; F337-D339 HydrophobicContact CE2-CB 4.48Å; D339-R341 VanDerWaalsContact OD1-CB 3.32Å; D339-R341 WeakPolarHBondContact OD1-CB 3.02Å; D339-R341 WeakPolarHBondContact OD1-CG 3.29Å; D339-R341 IonicContact OD1-CZ 3.9Å; D339-R341 PolarHBondContact OD1-N 2.54Å; D339-R341 VanDerWaalsContact OD1-N 3.1Å; D339-R341 IonicContact OD1-NE 3.37Å; D339-R341 PolarHBondContact OD1-NE 2.9Å; D339-R341 IonicContact OD1-NH2 3.11Å; D339-R341 IonicContact OD2-CZ 3.64Å; D339-R341 IonicContact OD2-NE 3.76Å; D339-R341 PolarHBondContact OD2-NE 2.89Å; D339-R341 IonicContact OD2-NH2 3.49Å; D339-R341 PolarHBondContact OD2-NH2 2.8Å; D339-P342 WeakPolarHBondContact O-CD 3.41Å
340R98.4Very high98.4Very high14 Ų1435 Ų355%0.05316%0.164CC..  trans-94.6-2.4-173.7-53.4-16172-172.6-1.4113.8H253 R299 R319 S322 R324 E338H253-R340 PolarHBondContact CE1-NH2 3.03Å; H253-R340 PolarHBondContact NE2-NE 3.21Å; H253-R340 PolarHBondContact NE2-NH2 3.07Å; R299-R340 PolarHBondContact NH1-O 2.84Å; R299-R340 PolarHBondContact NH2-O 2.78Å; R319-R340 VanDerWaalsContact C-NH1 3.25Å; R319-R340 PolarHBondContact O-NH1 2.72Å; S322-R340 PolarHBondContact O-N 2.78Å; R324-R340 HydrophobicContact CB-CG 4.47Å; E338-R340 HydrophobicContact CG-CG 3.98Å; E338-R340 WeakPolarHBondContact OE2-CD 3.48Å; E338-R340 WeakPolarHBondContact OE2-CG 3.34Å; E338-R340 IonicContact OE2-NE 3.55Å; E338-R340 PolarHBondContact OE2-NE 2.97Å
341R98.6Very high98.5Very high0 Ų034 Ų340%015%0.153CC..  trans-77.9-27.5-175.9-58.9173-73174.6-1.3114.8H281 I285 Y288 N296 R299 L300 D339 S343H281-R341 PolarHBondContact ND1-NH1 2.73Å; H281-R341 VanDerWaalsContact ND1-NH1 3.14Å; I285-R341 HydrophobicContact CD1-CB 4.23Å; I285-R341 HydrophobicContact CD1-CG 4.48Å; Y288-R341 HydrophobicContact CD2-CB 3.58Å; Y288-R341 HydrophobicContact CE2-CB 3.72Å; N296-R341 PolarHBondContact ND2-O 3.22Å; R299-R341 PolarHBondContact NH2-O 3.14Å; L300-R341 HydrophobicContact CD1-CB 4.46Å; D339-R341 VanDerWaalsContact OD1-CB 3.32Å; D339-R341 WeakPolarHBondContact OD1-CB 3.02Å; D339-R341 WeakPolarHBondContact OD1-CG 3.29Å; D339-R341 IonicContact OD1-CZ 3.9Å; D339-R341 PolarHBondContact OD1-N 2.54Å; D339-R341 VanDerWaalsContact OD1-N 3.1Å; D339-R341 IonicContact OD1-NE 3.37Å; D339-R341 PolarHBondContact OD1-NE 2.9Å; D339-R341 IonicContact OD1-NH2 3.11Å; D339-R341 IonicContact OD2-CZ 3.64Å; D339-R341 IonicContact OD2-NE 3.76Å; D339-R341 PolarHBondContact OD2-NE 2.89Å; D339-R341 IonicContact OD2-NH2 3.49Å; D339-R341 PolarHBondContact OD2-NH2 2.8Å; R341-S343 PolarHBondContact O-N 2.94Å
342P98.8Very high98.6Very high0 Ų027.4 Ų27.40%012%0.122CC..  trans-61.3137.7-178.6-21.231.3000112.9C252 Y288 R299 D339 C346 V351C252-P342 HydrophobicContact CB-CB 4.39Å; C252-P342 PolarHBondContact N-O 2.69Å; C252-P342 WeakPolarHBondContact O-CB 3.17Å; Y288-P342 HydrophobicContact CD1-CG 4.41Å; Y288-P342 HydrophobicContact CD2-CB 4.25Å; Y288-P342 HydrophobicContact CD2-CG 3.79Å; Y288-P342 HydrophobicContact CE1-CG 4.4Å; Y288-P342 HydrophobicContact CE2-CG 3.74Å; Y288-P342 HydrophobicContact CG-CB 4.22Å; Y288-P342 HydrophobicContact CG-CG 4.11Å; R299-P342 PolarHBondContact NH2-O 3.23Å; D339-P342 WeakPolarHBondContact O-CD 3.41Å; P342-C346 HydrophobicContact CB-CB 4.45Å; P342-V351 HydrophobicContact CB-CG1 4.41Å; P342-V351 HydrophobicContact CB-CG2 4.16Å; P342-V351 HydrophobicContact CG-CG1 3.91Å; P342-V351 HydrophobicContact CG-CG2 4.46Å
343S98.6Very high98.7Very high0 Ų022.2 Ų22.20%010%0.098CC..BIsolated β-bridgetrans-71.1153.1173.9179.50000111P240 C252 Y288 R341 N345 C346P240-S343 VanDerWaalsContact CB-OG 3.23Å; P240-S343 WeakPolarHBondContact CB-OG 3.03Å; P240-S343 VanDerWaalsContact CG-OG 3.3Å; P240-S343 WeakPolarHBondContact CG-OG 3.28Å; C252-S343 WeakPolarHBondContact CB-O 3.47Å; Y288-S343 VanDerWaalsContact O-CB 3.24Å; Y288-S343 WeakPolarHBondContact O-CB 3.42Å; Y288-S343 PolarHBondContact O-N 3.02Å; R341-S343 PolarHBondContact O-N 2.94Å; S343-N345 VanDerWaalsContact CB-OD1 3.27Å; S343-N345 WeakPolarHBondContact CB-OD1 3.27Å; S343-N345 PolarHBondContact O-N 3.23Å; S343-N345 PolarHBondContact OG-N 3.33Å; S343-N345 PolarHBondContact OG-OD1 3.44Å; S343-C346 VanDerWaalsContact O-CB 3.29Å; S343-C346 WeakPolarHBondContact O-CB 3.23Å; S343-C346 PolarHBondContact O-N 2.76Å; S343-C346 VanDerWaalsContact O-N 3.09Å; S343-C346 PolarHBondContact O-SG 3.46Å
344A98.8Very high98.7Very high0 Ų015.9 Ų15.90%07%0.071CC..THydrogen-bonded Turntrans-56.4-30.617300000113.5Q135 E136 R222 F238 A250Q135-A344 PolarHBondContact NE2-O 3.42Å; Q135-A344 PolarHBondContact OE1-O 2.84Å; E136-A344 WeakPolarHBondContact O-CB 3.49Å; R222-A344 PolarHBondContact NH2-O 3.07Å; F238-A344 HydrophobicContact CB-CB 4.42Å; F238-A344 CarbonylContact O-C 3.48Å; F238-A344 VanDerWaalsContact O-CB 3.24Å; F238-A344 WeakPolarHBondContact O-CB 3.44Å; A250-A344 HydrophobicContact CB-CB 3.52Å; A250-A344 VanDerWaalsContact O-CB 3.28Å; A250-A344 WeakPolarHBondContact O-CB 3.3Å; A250-A344 PolarHBondContact O-N 3.36Å
345N98.8Very high98.8Very high7 Ų710.3 Ų10.34%0.0375%0.05CC..THydrogen-bonded Turntrans-90.310.2178.272.6-24.4000114.6E38 F238 P290 D295 S343E38-N345 PolarHBondContact OE2-ND2 3.36Å; F238-N345 HydrophobicContact CB-CB 4.11Å; F238-N345 WeakPolarHBondContact O-CB 3.41Å; F238-N345 PolarHBondContact O-N 2.85Å; P290-N345 WeakPolarHBondContact CD-O 3.32Å; P290-N345 WeakPolarHBondContact CG-O 3.48Å; D295-N345 PolarHBondContact OD2-ND2 3.25Å; S343-N345 VanDerWaalsContact CB-OD1 3.27Å; S343-N345 WeakPolarHBondContact CB-OD1 3.27Å; S343-N345 PolarHBondContact O-N 3.23Å; S343-N345 PolarHBondContact OG-N 3.33Å; S343-N345 PolarHBondContact OG-OD1 3.44Å
346C98.8Very high98.8Very high0 Ų09.6 Ų9.60%04%0.043CC..  trans-60.2151.1-179.170.70000112.4R222 Y288 P342 S343 P348 V351R222-C346 VanDerWaalsContact CZ-O 3.26Å; R222-C346 PolarHBondContact NH1-O 2.63Å; R222-C346 PolarHBondContact NH2-O 3.24Å; Y288-C346 VanDerWaalsContact O-CB 3.32Å; Y288-C346 WeakPolarHBondContact O-CB 3.2Å; P342-C346 HydrophobicContact CB-CB 4.45Å; S343-C346 VanDerWaalsContact O-CB 3.29Å; S343-C346 WeakPolarHBondContact O-CB 3.23Å; S343-C346 PolarHBondContact O-N 2.76Å; S343-C346 VanDerWaalsContact O-N 3.09Å; S343-C346 PolarHBondContact O-SG 3.46Å; C346-P348 WeakPolarHBondContact O-CD 3.47Å; C346-V351 HydrophobicContact CB-CG2 3.73Å
347D98.9Very high98.8Very high6 Ų66.1 Ų6.13%0.0323%0.029CC..  trans-79.5116.8162.7-172.2-26.2000108.8L113 W219 Y349 M350 V351L113-D347 HydrophobicContact CD1-CB 4.17Å; W219-D347 HydrophobicContact CZ2-CB 4.07Å; W219-D347 PolarHBondContact NE1-OD1 2.7Å; D347-Y349 PolarHBondContact O-N 2.75Å; D347-Y349 WeakPolarHBondContact OD1-CB 3.39Å; D347-Y349 VanDerWaalsContact OD1-CD2 3.23Å; D347-Y349 WeakPolarHBondContact OD1-CD2 3.4Å; D347-Y349 PolarHBondContact OD1-N 2.78Å; D347-M350 HydrophobicContact CB-CB 4.12Å; D347-M350 WeakPolarHBondContact O-CB 3.44Å; D347-M350 PolarHBondContact O-N 2.66Å; D347-V351 PolarHBondContact O-N 3.49Å; D347-V351 VanDerWaalsContact O-N 3.11Å
348P98.9Very high98.8Very high0 Ų06.1 Ų6.10%03%0.029CC..Hα-helixtrans-59-28.3177.925-37000113.9M133 L218 W219 C346 M350 T352M133-P348 HydrophobicContact CE-CB 3.99Å; M133-P348 HydrophobicContact SD-CB 3.67Å; L218-P348 HydrophobicContact CB-CB 4.39Å; L218-P348 HydrophobicContact CB-CG 4.19Å; L218-P348 HydrophobicContact CD2-CB 3.85Å; L218-P348 HydrophobicContact CD2-CG 4.01Å; L218-P348 HydrophobicContact CG-CG 4.41Å; W219-P348 HydrophobicContact CG-CG 4.28Å; C346-P348 WeakPolarHBondContact O-CD 3.47Å; P348-M350 VanDerWaalsContact C-N 3.34Å; P348-T352 WeakPolarHBondContact O-CB 3.38Å; P348-T352 VanDerWaalsContact O-CG2 3.26Å; P348-T352 WeakPolarHBondContact O-CG2 3.45Å; P348-T352 PolarHBondContact O-N 3.21Å; P348-T352 PolarHBondContact O-OG1 3.38Å
349Y98.9Very high98.8Very high2 Ų26.1 Ų6.11%0.0083%0.029CC..Hα-helixtrans-64.3-42.3174.7-62.8-58.4000111.1I33 F98 R114 C117 I212 D216 W219 D347 T352 E353I33-Y349 HydrophobicContact CD1-CE2 4.47Å; F98-Y349 HydrophobicContact CE1-CE2 4.12Å; F98-Y349 WeakPolarHBondContact CE1-OH 3.35Å; F98-Y349 HydrophobicContact CZ-CE2 4.43Å; R114-Y349 HydrophobicContact CB-CD1 4.17Å; R114-Y349 HydrophobicContact CB-CD2 3.94Å; R114-Y349 HydrophobicContact CB-CE1 4.03Å; R114-Y349 HydrophobicContact CB-CE2 3.78Å; R114-Y349 HydrophobicContact CB-CG 4.14Å; R114-Y349 HydrophobicContact CG-CD1 4.1Å; R114-Y349 HydrophobicContact CG-CE1 3.63Å; R114-Y349 HydrophobicContact CG-CE2 4.17Å; C117-Y349 HydrophobicContact CB-CD1 4.31Å; C117-Y349 PolarHBondContact SG-O 3.38Å; C117-Y349 VanDerWaalsContact SG-O 3.37Å; I212-Y349 HydrophobicContact CD1-CD1 3.75Å; I212-Y349 HydrophobicContact CD1-CE1 3.77Å; I212-Y349 HydrophobicContact CG1-CE1 4.36Å; D216-Y349 WeakPolarHBondContact CA-OH 3.48Å; D216-Y349 PolarHBondContact N-OH 3.41Å; D216-Y349 WeakPolarHBondContact OD1-CE1 3.48Å; D216-Y349 PolarHBondContact OD1-OH 3.35Å; W219-Y349 AromaticContact CD1-CD2 3.83Å; W219-Y349 AromaticContact CD1-CE2 3.29Å; W219-Y349 AromaticContact CD1-CZ 3.91Å; W219-Y349 HydrophobicContact CG-CE2 4.47Å; W219-Y349 AromaticContact NE1-CD2 3.58Å; W219-Y349 AromaticContact NE1-CE2 3.51Å; D347-Y349 PolarHBondContact O-N 2.75Å; D347-Y349 WeakPolarHBondContact OD1-CB 3.39Å; D347-Y349 VanDerWaalsContact OD1-CD2 3.23Å; D347-Y349 WeakPolarHBondContact OD1-CD2 3.4Å; D347-Y349 PolarHBondContact OD1-N 2.78Å; Y349-T352 PolarHBondContact O-OG1 3.39Å; Y349-E353 WeakPolarHBondContact O-CB 3.25Å; Y349-E353 PolarHBondContact O-N 3.38Å
350M98.6Very high98.7Very high66 Ų667.5 Ų7.533%0.3254%0.036SC..Hα-helixtrans-66.6-44.5179-163.8176.2-116.100111.6L113 A287 D347 P348 A354L113-M350 HydrophobicContact CD1-CB 3.91Å; L113-M350 HydrophobicContact CD1-CE 3.75Å; L113-M350 HydrophobicContact CD1-CG 4.27Å; L113-M350 HydrophobicContact CD1-SD 4.18Å; A287-M350 HydrophobicContact CB-CG 3.98Å; A287-M350 HydrophobicContact CB-SD 4.3Å; A287-M350 WeakPolarHBondContact O-CG 3.43Å; D347-M350 HydrophobicContact CB-CB 4.12Å; D347-M350 WeakPolarHBondContact O-CB 3.44Å; D347-M350 PolarHBondContact O-N 2.66Å; P348-M350 VanDerWaalsContact C-N 3.34Å; M350-A354 VanDerWaalsContact O-CB 3.31Å; M350-A354 WeakPolarHBondContact O-CB 3.49Å; M350-A354 PolarHBondContact O-N 3.12Å
351V98.9Very high98.7Very high0 Ų08.9 Ų8.90%04%0.044CC..Hα-helixtrans-63.2-50.7179.1174.70000111.3T254 Y288 P342 C346 D347 A354 L355T254-V351 HydrophobicContact CG2-CG1 4.23Å; Y288-V351 HydrophobicContact CD1-CB 4.36Å; Y288-V351 HydrophobicContact CD1-CG1 4.32Å; Y288-V351 HydrophobicContact CD1-CG2 3.79Å; Y288-V351 HydrophobicContact CE1-CB 4.2Å; Y288-V351 HydrophobicContact CE1-CG1 3.83Å; Y288-V351 HydrophobicContact CE1-CG2 4.12Å; P342-V351 HydrophobicContact CB-CG1 4.41Å; P342-V351 HydrophobicContact CB-CG2 4.16Å; P342-V351 HydrophobicContact CG-CG1 3.91Å; P342-V351 HydrophobicContact CG-CG2 4.46Å; C346-V351 HydrophobicContact CB-CG2 3.73Å; D347-V351 PolarHBondContact O-N 3.49Å; D347-V351 VanDerWaalsContact O-N 3.11Å; V351-A354 PolarHBondContact O-N 3.33Å; V351-L355 HydrophobicContact CG1-CD1 4.26Å; V351-L355 WeakPolarHBondContact O-CG 3.12Å; V351-L355 PolarHBondContact O-N 3.06Å
352T98.9Very high98.7Very high0 Ų015 Ų150%07%0.071CC..Hα-helixtrans-68.9-38-176.655.90000111.9F131 M214 P348 Y349 L355 V356F131-T352 HydrophobicContact CB-CG2 4.39Å; F131-T352 HydrophobicContact CD1-CG2 3.68Å; F131-T352 HydrophobicContact CD2-CG2 4.12Å; F131-T352 HydrophobicContact CE1-CG2 3.9Å; F131-T352 HydrophobicContact CE2-CG2 4.33Å; F131-T352 HydrophobicContact CG-CG2 3.8Å; F131-T352 HydrophobicContact CZ-CG2 4.23Å; M214-T352 HydrophobicContact CB-CG2 4.19Å; M214-T352 HydrophobicContact CG-CG2 3.95Å; P348-T352 WeakPolarHBondContact O-CB 3.38Å; P348-T352 VanDerWaalsContact O-CG2 3.26Å; P348-T352 WeakPolarHBondContact O-CG2 3.45Å; P348-T352 PolarHBondContact O-N 3.21Å; P348-T352 PolarHBondContact O-OG1 3.38Å; Y349-T352 PolarHBondContact O-OG1 3.39Å; T352-L355 PolarHBondContact O-N 3.25Å; T352-V356 WeakPolarHBondContact O-CG2 3.49Å; T352-V356 PolarHBondContact O-N 3.19Å; T352-V356 VanDerWaalsContact O-N 3.08Å
353E98.8Very high98.6Very high18 Ų1815.6 Ų15.68%0.0847%0.074CC..Hα-helixtrans-61.2-48.2172.6-175.8177.2158.100111.4S116 C117 I120 Y349 L355 V356 R357S116-E353 WeakPolarHBondContact CB-OE2 3.44Å; S116-E353 PolarHBondContact OG-OE1 2.98Å; S116-E353 PolarHBondContact OG-OE2 3.32Å; C117-E353 WeakPolarHBondContact CA-OE2 3.5Å; C117-E353 HydrophobicContact CB-CB 4.1Å; C117-E353 PolarHBondContact N-OE2 2.7Å; I120-E353 HydrophobicContact CB-CG 4.12Å; I120-E353 HydrophobicContact CG1-CG 3.97Å; I120-E353 HydrophobicContact CG2-CG 4.18Å; Y349-E353 WeakPolarHBondContact O-CB 3.25Å; Y349-E353 PolarHBondContact O-N 3.38Å; E353-L355 VanDerWaalsContact C-N 3.33Å; E353-L355 PolarHBondContact O-N 2.97Å; E353-V356 PolarHBondContact O-N 3.41Å; E353-R357 HydrophobicContact CG-CG 4.27Å; E353-R357 WeakPolarHBondContact O-CG 3.36Å; E353-R357 PolarHBondContact O-N 2.97Å; E353-R357 IonicContact OE1-CZ 2.84Å; E353-R357 IonicContact OE1-NE 2.64Å; E353-R357 PolarHBondContact OE1-NE 3.27Å; E353-R357 IonicContact OE1-NH2 3.78Å; E353-R357 PolarHBondContact OE1-NH2 3.28Å
354A98.8Very high98.5Very high1 Ų122.5 Ų22.51%0.00811%0.106CC..Hα-helixtrans-59.6-42.217900000112.2Y283 H284 A287 M350 V351 T358Y283-A354 HydrophobicContact CE1-CB 3.84Å; H284-A354 VanDerWaalsContact CE1-C 3.46Å; H284-A354 PolarHBondContact CE1-O 3.32Å; H284-A354 VanDerWaalsContact CE1-O 3.3Å; A287-A354 HydrophobicContact CB-CB 4.1Å; M350-A354 VanDerWaalsContact O-CB 3.31Å; M350-A354 WeakPolarHBondContact O-CB 3.49Å; M350-A354 PolarHBondContact O-N 3.12Å; V351-A354 PolarHBondContact O-N 3.33Å; A354-T358 WeakPolarHBondContact O-CB 3.16Å; A354-T358 PolarHBondContact O-N 3.32Å; A354-T358 VanDerWaalsContact O-N 3.1Å; A354-T358 PolarHBondContact O-OG1 3.49Å
355L98.9Very high98.2Very high0 Ų024.6 Ų24.60%013%0.128CC..Hα-helixtrans-59.5-46.7174.6-75.5171.4000111.7F131 T254 F256 L277 F337 V351 T352 E353 C359F131-L355 HydrophobicContact CD1-CD1 4.34Å; F131-L355 HydrophobicContact CE1-CB 4.28Å; F131-L355 HydrophobicContact CE1-CD1 4.06Å; T254-L355 HydrophobicContact CG2-CD1 3.61Å; F256-L355 HydrophobicContact CB-CD1 4.3Å; L277-L355 HydrophobicContact CD1-CD2 4.34Å; L277-L355 HydrophobicContact CD2-CD2 3.92Å; F337-L355 HydrophobicContact CE2-CD2 4.47Å; F337-L355 HydrophobicContact CZ-CD2 4.46Å; V351-L355 HydrophobicContact CG1-CD1 4.26Å; V351-L355 WeakPolarHBondContact O-CG 3.12Å; V351-L355 PolarHBondContact O-N 3.06Å; T352-L355 PolarHBondContact O-N 3.25Å; E353-L355 VanDerWaalsContact C-N 3.33Å; E353-L355 PolarHBondContact O-N 2.97Å; L355-C359 WeakPolarHBondContact O-CB 3.43Å; L355-C359 PolarHBondContact O-N 3.19Å; L355-C359 PolarHBondContact O-SG 3.4Å; L355-C359 VanDerWaalsContact O-SG 3.36Å
356V98.8Very high97.8Very high0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-65.6-45.7179.7168.90000111.9I120 M121 V124 F131 T352 E353 T358 L360 L361I120-V356 HydrophobicContact CG2-CB 4.01Å; I120-V356 HydrophobicContact CG2-CG1 3.49Å; I120-V356 VanDerWaalsContact CG2-CG1 3.49Å; M121-V356 HydrophobicContact CE-CG2 3.73Å; M121-V356 HydrophobicContact SD-CG2 3.75Å; V124-V356 HydrophobicContact CB-CG1 4.25Å; V124-V356 HydrophobicContact CG1-CG1 3.83Å; V124-V356 HydrophobicContact CG2-CG1 3.49Å; V124-V356 VanDerWaalsContact CG2-CG1 3.49Å; V124-V356 HydrophobicContact CG2-CG2 4.44Å; F131-V356 HydrophobicContact CZ-CG2 3.81Å; T352-V356 WeakPolarHBondContact O-CG2 3.49Å; T352-V356 PolarHBondContact O-N 3.19Å; T352-V356 VanDerWaalsContact O-N 3.08Å; E353-V356 PolarHBondContact O-N 3.41Å; V356-T358 VanDerWaalsContact C-N 3.31Å; V356-T358 PolarHBondContact O-N 3.47Å; V356-L360 HydrophobicContact CG1-CB 4.4Å; V356-L360 HydrophobicContact CG1-CD1 4.27Å; V356-L360 HydrophobicContact CG2-CD1 4.43Å; V356-L360 WeakPolarHBondContact O-CA 3.38Å; V356-L360 WeakPolarHBondContact O-CB 3.42Å; V356-L360 PolarHBondContact O-N 2.88Å; V356-L361 PolarHBondContact O-N 3.03Å; V356-L361 VanDerWaalsContact O-N 3.13Å
357R98.7Very high97.4Very high13 Ų1334.6 Ų34.65%0.04918%0.177CC..Hα-helixtrans-56.4-46.4178.8-73.5-178.6176-886.9111.6I120 E353 L361 K362 E363 T369I120-R357 VanDerWaalsContact CD1-CZ 3.46Å; I120-R357 HydrophobicContact CG2-CG 4.11Å; E353-R357 HydrophobicContact CG-CG 4.27Å; E353-R357 WeakPolarHBondContact O-CG 3.36Å; E353-R357 PolarHBondContact O-N 2.97Å; E353-R357 IonicContact OE1-CZ 2.84Å; E353-R357 IonicContact OE1-NE 2.64Å; E353-R357 PolarHBondContact OE1-NE 3.27Å; E353-R357 IonicContact OE1-NH2 3.78Å; E353-R357 PolarHBondContact OE1-NH2 3.28Å; R357-L361 HydrophobicContact CG-CD1 4.37Å; R357-L361 CarbonylContact O-C 3.59Å; R357-L361 WeakPolarHBondContact O-CB 3.2Å; R357-L361 PolarHBondContact O-N 3.21Å; R357-K362 PolarHBondContact O-N 3.43Å; R357-E363 HydrophobicContact CB-CG 4.4Å; R357-E363 WeakPolarHBondContact CD-OE1 3.36Å; R357-E363 VanDerWaalsContact CG-OE1 3.26Å; R357-E363 WeakPolarHBondContact CG-OE1 3.43Å; R357-E363 IonicContact CZ-OE1 2.94Å; R357-E363 IonicContact NE-OE1 3.58Å; R357-E363 IonicContact NH1-OE1 3.9Å; R357-E363 PolarHBondContact NH1-OE1 2.9Å; R357-E363 IonicContact NH1-OE2 3.68Å; R357-E363 PolarHBondContact O-N 3.5Å; R357-E363 VanDerWaalsContact O-N 3.08Å; R357-T369 PolarHBondContact NH1-O 3.04Å
358T98.7Very high97.1Very high0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-76.8-44.9-178.6-59.80000112.6R276 L277 R280 H284 A354 V356R276-T358 HydrophobicContact CB-CG2 3.92Å; R276-T358 WeakPolarHBondContact CD-O 3.49Å; R276-T358 WeakPolarHBondContact O-CG2 3.07Å; L277-T358 HydrophobicContact CD2-CG2 3.91Å; L277-T358 HydrophobicContact CG-CG2 4.42Å; R280-T358 HydrophobicContact CB-CG2 4.28Å; R280-T358 HydrophobicContact CG-CG2 4.37Å; R280-T358 PolarHBondContact NH1-OG1 2.97Å; R280-T358 VanDerWaalsContact NH1-OG1 3.12Å; H284-T358 WeakPolarHBondContact NE2-CB 3.38Å; H284-T358 PolarHBondContact NE2-OG1 3.36Å; A354-T358 WeakPolarHBondContact O-CB 3.16Å; A354-T358 PolarHBondContact O-N 3.32Å; A354-T358 VanDerWaalsContact O-N 3.1Å; A354-T358 PolarHBondContact O-OG1 3.49Å; V356-T358 VanDerWaalsContact C-N 3.31Å; V356-T358 PolarHBondContact O-N 3.47Å
359C98.6Very high96.9Very high2 Ų239.8 Ų39.81%0.01421%0.21CC..Hα-helixtrans-80.9-36.3-172.2-68.20000113.6F256 R276 L355F256-C359 HydrophobicContact CE1-CB 3.76Å; F256-C359 HydrophobicContact CZ-CB 4.46Å; R276-C359 PolarHBondContact NH1-O 3.37Å; L355-C359 WeakPolarHBondContact O-CB 3.43Å; L355-C359 PolarHBondContact O-N 3.19Å; L355-C359 PolarHBondContact O-SG 3.4Å; L355-C359 VanDerWaalsContact O-SG 3.36Å
360L98.4Very high96.5Very high28 Ų2845.7 Ų45.715%0.14725%0.246CC..THydrogen-bonded Turntrans-111.9-45.2-170.2-55.1-177.2000112.9V124 H127 P129 F256 T258 V356 K362V124-L360 HydrophobicContact CB-CD1 3.97Å; V124-L360 HydrophobicContact CG1-CB 3.96Å; V124-L360 HydrophobicContact CG1-CD1 4.25Å; V124-L360 HydrophobicContact CG2-CD1 4.03Å; H127-L360 HydrophobicContact CB-CD1 4.16Å; P129-L360 HydrophobicContact CB-CD1 4.44Å; F256-L360 HydrophobicContact CZ-CD1 4.21Å; F256-L360 HydrophobicContact CZ-CG 4.36Å; T258-L360 HydrophobicContact CG2-CD1 3.83Å; T258-L360 HydrophobicContact CG2-CD2 3.49Å; T258-L360 VanDerWaalsContact CG2-CD2 3.49Å; T258-L360 HydrophobicContact CG2-CG 4.22Å; V356-L360 HydrophobicContact CG1-CB 4.4Å; V356-L360 HydrophobicContact CG1-CD1 4.27Å; V356-L360 HydrophobicContact CG2-CD1 4.43Å; V356-L360 WeakPolarHBondContact O-CA 3.38Å; V356-L360 WeakPolarHBondContact O-CB 3.42Å; V356-L360 PolarHBondContact O-N 2.88Å; L360-K362 PolarHBondContact O-N 3.17Å
361L98.1Very high95.9Very high43 Ų4345.8 Ų45.823%0.22524%0.243CC..SBendtrans-79.4-11.5174.7-54.7-176.5000112.6I120 M123 V124 V356 R357 E363 Y371I120-L361 HydrophobicContact CD1-CD1 3.95Å; I120-L361 HydrophobicContact CG2-CD1 4.11Å; M123-L361 HydrophobicContact CE-CD1 4.21Å; M123-L361 HydrophobicContact CE-CD2 4.25Å; V124-L361 HydrophobicContact CG1-CD2 3.56Å; V124-L361 HydrophobicContact CG1-CG 4.2Å; V356-L361 PolarHBondContact O-N 3.03Å; V356-L361 VanDerWaalsContact O-N 3.13Å; R357-L361 HydrophobicContact CG-CD1 4.37Å; R357-L361 CarbonylContact O-C 3.59Å; R357-L361 WeakPolarHBondContact O-CB 3.2Å; R357-L361 PolarHBondContact O-N 3.21Å; L361-E363 HydrophobicContact CB-CG 4.28Å; L361-E363 PolarHBondContact O-N 3.03Å; L361-Y371 HydrophobicContact CD1-CE2 3.71Å
362K97.4Very high94.8Very high129 Ų12953 Ų5356%0.56128%0.282SS*.  trans54.834.7176.4-50.9177.1-174.9175.40111.9R357 L360R357-K362 PolarHBondContact O-N 3.43Å; L360-K362 PolarHBondContact O-N 3.17Å
363E97.8Very high92.7Very high12 Ų1264.5 Ų64.56%0.05633%0.332CS..  trans-60149.7172.2-69.8-175.8-147.200110R280 R357 L361 P368 T369 Y371R280-E363 WeakPolarHBondContact CD-O 3.4Å; R280-E363 IonicContact NH1-OE2 3.67Å; R280-E363 IonicContact NH2-OE2 2.85Å; R357-E363 HydrophobicContact CB-CG 4.4Å; R357-E363 WeakPolarHBondContact CD-OE1 3.36Å; R357-E363 VanDerWaalsContact CG-OE1 3.26Å; R357-E363 WeakPolarHBondContact CG-OE1 3.43Å; R357-E363 IonicContact CZ-OE1 2.94Å; R357-E363 IonicContact NE-OE1 3.58Å; R357-E363 IonicContact NH1-OE1 3.9Å; R357-E363 PolarHBondContact NH1-OE1 2.9Å; R357-E363 IonicContact NH1-OE2 3.68Å; R357-E363 PolarHBondContact O-N 3.5Å; R357-E363 VanDerWaalsContact O-N 3.08Å; L361-E363 HydrophobicContact CB-CG 4.28Å; L361-E363 PolarHBondContact O-N 3.03Å; E363-P368 WeakPolarHBondContact OE2-CA 3.18Å; E363-T369 PolarHBondContact OE2-N 3.35Å; E363-Y371 WeakPolarHBondContact CG-OH 3.3Å; E363-Y371 VanDerWaalsContact OE1-CE2 3.29Å; E363-Y371 WeakPolarHBondContact OE1-CE2 3.44Å; E363-Y371 PolarHBondContact OE1-OH 3.28Å
364E95Very high92.4Very high146 Ų14666.8 Ų66.868%0.68234%0.344SS*.  trans-126.8167.3175.8-64.1-170.9161.100109.6
365G93.3Very high92.1Very high44 Ų4470.3 Ų70.345%0.45436%0.362SS..SBendtrans79.3-170.9-17900000114.3R280R280-G365 PolarHBondContact NE-O 3.27Å; R280-G365 PolarHBondContact NH2-O 3.17Å; R280-G365 VanDerWaalsContact NH2-O 3.12Å
366D90.3Very high91.7Very high93 Ų9374.2 Ų74.250%0.49738%0.382SS..SBendtrans-99.3-5.8-163.8-84.3-42000114.7Y283 R286Y283-D366 WeakPolarHBondContact CD2-O 3.37Å; R286-D366 VanDerWaalsContact NH2-CB 3.3Å; R286-D366 PolarHBondContact NH2-O 3.38Å; R286-D366 IonicContact NH2-OD1 3.98Å; R286-D366 PolarHBondContact NH2-OD1 3.14Å
367E91.3Very high91.3Very high123 Ų12378.5 Ų78.558%0.57540%0.404SS*.SBendtrans-127.9150.9-177.5-65-57.1139.100110.2R280 R286R280-E367 PolarHBondContact NH2-O 3.04Å; R286-E367 IonicContact CZ-OE1 2.99Å; R286-E367 IonicContact NH1-OE1 3.77Å; R286-E367 PolarHBondContact NH1-OE1 2.86Å; R286-E367 IonicContact NH2-OE1 2.59Å
368P92.8Very high90.9Very high53 Ų5382.6 Ų82.634%0.34443%0.427SS..  trans-71.2138.2177.928.3-32000111.1E363E363-P368 WeakPolarHBondContact OE2-CA 3.18Å
369T93.5Very high90.3Very high63 Ų6388.1 Ų88.139%0.38746%0.455SS..  trans-68.4133.3173.8-60.50000110.6R357 E363 Y371R357-T369 PolarHBondContact NH1-O 3.04Å; E363-T369 PolarHBondContact OE2-N 3.35Å; T369-Y371 HydrophobicContact CG2-CD1 4.45Å; T369-Y371 HydrophobicContact CG2-CE1 4.07Å; T369-Y371 HydrophobicContact CG2-CE2 4.3Å; T369-Y371 WeakPolarHBondContact O-CD2 3.29Å; T369-Y371 PolarHBondContact O-N 3.25Å
370V90.1Very high89.7Confident126 Ų12694.3 Ų94.376%0.76449%0.487SS*.  trans-84.2109.7173-177.90000109
371Y87.3Confident89.1Confident68 Ų6899.4 Ų99.427%0.26751%0.513SS..  trans-89.5117.7173.9-61.7-79.7000109.7Q119 I120 M123 L361 E363 T369Q119-Y371 PolarHBondContact NE2-O 3.49Å; I120-Y371 HydrophobicContact CD1-CD2 3.78Å; I120-Y371 HydrophobicContact CD1-CE2 3.95Å; M123-Y371 HydrophobicContact CE-CD1 3.7Å; M123-Y371 HydrophobicContact CE-CD2 4.03Å; M123-Y371 HydrophobicContact CE-CE1 3.93Å; M123-Y371 HydrophobicContact CE-CE2 4.23Å; M123-Y371 HydrophobicContact CE-CG 3.75Å; M123-Y371 HydrophobicContact SD-CD2 4.13Å; M123-Y371 HydrophobicContact SD-CG 4.11Å; L361-Y371 HydrophobicContact CD1-CE2 3.71Å; E363-Y371 WeakPolarHBondContact CG-OH 3.3Å; E363-Y371 VanDerWaalsContact OE1-CE2 3.29Å; E363-Y371 WeakPolarHBondContact OE1-CE2 3.44Å; E363-Y371 PolarHBondContact OE1-OH 3.28Å; T369-Y371 HydrophobicContact CG2-CD1 4.45Å; T369-Y371 HydrophobicContact CG2-CE1 4.07Å; T369-Y371 HydrophobicContact CG2-CE2 4.3Å; T369-Y371 WeakPolarHBondContact O-CD2 3.29Å; T369-Y371 PolarHBondContact O-N 3.25Å
372N74.4Confident88.3Confident152 Ų152104.1 Ų104.181%0.81354%0.537SS*.  trans-69.6139.3170.3-67.1-30.9000109.4
373K56.9Low87.5Confident240 Ų240101.8 Ų101.8100%1.04354%0.535SS*.  trans-72.50172.7-77.3-174177.8177.90111.9

Retrieved 373 of 373 residues in 1424.7 ms (Link to these results)

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