A0A087Y870_POEFO Loading...

Exosome complex component RRP46

AlphaFold DB , UniProt , Accession A0A087Y870, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 220 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
1M34.1Very low48.8Very low241 Ų24199.2 Ų99.2100%1.18758%0.578SS**  0103.70-90.1174.9169.500106.8V3M1-V3 PolarHBondContact O-N 3.46Å
2E27Very low51.8Low201 Ų20194.9 Ų94.994%0.93955%0.545SS*.PPolyproline II helixtrans-71122.9-173.9-68.1175.3138.800109.4S4E2-S4 PolarHBondContact O-N 3.49Å
3V38.1Very low54.3Low79 Ų79101.9 Ų101.948%0.47957%0.57SS.*PPolyproline II helixtrans-75122173.8-175.70000106.7M1M1-V3 PolarHBondContact O-N 3.46Å
4S30.7Very low56.7Low62 Ų6297.9 Ų97.943%0.43454%0.544SS..PPolyproline II helixtrans-50.4142.8172.845.20000111.5E2 S6E2-S4 PolarHBondContact O-N 3.49Å; S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 3.11Å; S4-S6 VanDerWaalsContact O-N 3.11Å
5P35.6Very low59Low136 Ų13693.5 Ų93.588%0.88353%0.529SS*.THydrogen-bonded Turntrans-79.44-161.1-8.225.8000115.6
6S37.2Very low61Low93 Ų9389.3 Ų89.365%0.6551%0.507SS*.THydrogen-bonded Turntrans-100.3-6.9-163.456.70000116.6S4 T8S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 3.11Å; S4-S6 VanDerWaalsContact O-N 3.11Å; S6-T8 PolarHBondContact O-N 3.19Å; S6-T8 VanDerWaalsContact O-N 3.1Å
7S51Low62.8Low35 Ų3591.2 Ų91.225%0.24551%0.511CS..  trans-83.590.317765.20000110.5V9S7-V9 PolarHBondContact O-N 3.34Å
8T57.3Low64.2Low110 Ų11087.7 Ų87.768%0.67549%0.49SS*.  trans-67.3111176.543.90000110.1S6 S10 T151S6-T8 PolarHBondContact O-N 3.19Å; S6-T8 VanDerWaalsContact O-N 3.1Å; T8-S10 VanDerWaalsContact C-N 3.28Å; T8-S10 PolarHBondContact O-N 2.79Å; T8-T151 PolarHBondContact O-OG1 3.14Å
9V68.9Low65.5Low30 Ų3086.8 Ų86.818%0.18249%0.487CS..  trans-75.685.2172.3-1780000108.7S7 V196 K199 A200 K203S7-V9 PolarHBondContact O-N 3.34Å; V9-V196 HydrophobicContact CG2-CG1 4.19Å; V9-K199 HydrophobicContact CG2-CB 4.22Å; V9-A200 HydrophobicContact CG1-CB 3.61Å; V9-K203 PolarHBondContact O-NZ 2.64Å
10S76.3Confident66.6Low79 Ų7986.6 Ų86.655%0.55248%0.484SS*.  trans-107.7118174.5-163.70000109T8 T151T8-S10 VanDerWaalsContact C-N 3.28Å; T8-S10 PolarHBondContact O-N 2.79Å; S10-T151 PolarHBondContact N-OG1 3.3Å; S10-T151 VanDerWaalsContact N-OG1 3.11Å; S10-T151 PolarHBondContact O-OG1 3.3Å
11L81.1Confident67.7Low25 Ų2585.7 Ų85.713%0.13148%0.478CS..  trans-105.7142.5170.8-64.4175.6000107F14 D152 A200 K203 I204L11-F14 HydrophobicContact CB-CD1 4.39Å; L11-F14 HydrophobicContact CB-CE1 3.88Å; L11-F14 HydrophobicContact CD1-CE1 3.86Å; L11-D152 HydrophobicContact CD2-CB 3.89Å; L11-A200 HydrophobicContact CD1-CB 4.3Å; L11-A200 HydrophobicContact CD2-CB 4.31Å; L11-K203 HydrophobicContact CD1-CB 4.32Å; L11-I204 HydrophobicContact CD1-CD1 4.1Å; L11-I204 HydrophobicContact CD1-CG1 3.81Å
12R84Confident70.3Confident48 Ų4880.1 Ų80.118%0.18146%0.463CS..  trans-65.8165.4172.5-62.1-174.1-67.5-179.7-0.9110.1F14 D109 D152R12-F14 WeakPolarHBondContact O-CD1 3.38Å; R12-F14 PolarHBondContact O-N 3.2Å; R12-D109 IonicContact CZ-OD2 2.81Å; R12-D109 IonicContact NH1-OD2 2.76Å; R12-D109 PolarHBondContact NH1-OD2 3.1Å; R12-D109 IonicContact NH2-OD2 2.74Å; R12-D109 PolarHBondContact NH2-OD2 2.8Å; R12-D152 WeakPolarHBondContact CB-OD2 3.34Å; R12-D152 WeakPolarHBondContact CG-OD2 3.41Å; R12-D152 PolarHBondContact N-OD2 3.05Å; R12-D152 IonicContact NE-OD2 3.76Å; R12-D152 PolarHBondContact NE-OD2 2.99Å
13E84.7Confident73.3Confident186 Ų18681.1 Ų81.187%0.86946%0.458SS*.  trans-58.8128.2172.9-65.3-171.5169.200109.6G33E13-G33 PolarHBondContact O-N 3.24Å
14F88.3Confident75.8Confident46 Ų4678.1 Ų78.120%0.20244%0.44CS..EExtended strand (participates in β ladder)trans-120.1141.317443.8-101.9000110.4L11 R12 F30 V31 Q32 I204 F207L11-F14 HydrophobicContact CB-CD1 4.39Å; L11-F14 HydrophobicContact CB-CE1 3.88Å; L11-F14 HydrophobicContact CD1-CE1 3.86Å; R12-F14 WeakPolarHBondContact O-CD1 3.38Å; R12-F14 PolarHBondContact O-N 3.2Å; F14-F30 HydrophobicContact CB-CE1 4.24Å; F14-F30 HydrophobicContact CB-CZ 3.88Å; F14-F30 HydrophobicContact CG-CZ 4.3Å; F14-V31 CarbonylContact C-O 3.57Å; F14-V31 WeakPolarHBondContact CA-O 3.47Å; F14-V31 VanDerWaalsContact CB-O 3.26Å; F14-V31 WeakPolarHBondContact CB-O 3.36Å; F14-Q32 HydrophobicContact CB-CB 4.29Å; F14-Q32 HydrophobicContact CB-CG 4.33Å; F14-I204 HydrophobicContact CE1-CG1 4.49Å; F14-F207 HydrophobicContact CD2-CB 4.29Å; F14-F207 AromaticContact CD2-CD1 3.65Å; F14-F207 HydrophobicContact CD2-CD1 3.65Å; F14-F207 AromaticContact CD2-CD2 3.85Å; F14-F207 HydrophobicContact CD2-CD2 3.85Å; F14-F207 AromaticContact CD2-CE1 3.85Å; F14-F207 HydrophobicContact CD2-CE1 3.85Å; F14-F207 HydrophobicContact CD2-CE2 4.02Å; F14-F207 AromaticContact CD2-CG 3.66Å; F14-F207 HydrophobicContact CD2-CG 3.66Å; F14-F207 HydrophobicContact CD2-CZ 4.03Å; F14-F207 HydrophobicContact CE2-CB 3.5Å; F14-F207 VanDerWaalsContact CE2-CB 3.5Å; F14-F207 AromaticContact CE2-CD1 3.76Å; F14-F207 HydrophobicContact CE2-CD1 3.76Å; F14-F207 AromaticContact CE2-CD2 3.62Å; F14-F207 HydrophobicContact CE2-CD2 3.62Å; F14-F207 HydrophobicContact CE2-CE1 4.38Å; F14-F207 HydrophobicContact CE2-CE2 4.25Å; F14-F207 AromaticContact CE2-CG 3.33Å; F14-F207 HydrophobicContact CE2-CG 3.33Å; F14-F207 HydrophobicContact CZ-CB 4.32Å
15G90.2Very high78.8Confident32 Ų3279.9 Ų79.933%0.3344%0.444SS..EExtended strand (participates in β ladder)trans-123.7148.9179.100000109.8V31G15-V31 PolarHBondContact N-O 3.24Å; G15-V31 PolarHBondContact O-N 3.09Å
16C91.3Very high81.5Confident26 Ų2673.4 Ų73.418%0.17640%0.403CS..EExtended strand (participates in β ladder)trans-141.2133.5173.7-174.50000110S29 F30 M123 F207C16-S29 VanDerWaalsContact CA-O 3.27Å; C16-S29 WeakPolarHBondContact CA-O 3.28Å; C16-S29 PolarHBondContact SG-O 2.95Å; C16-F30 HydrophobicContact CB-CD2 3.96Å; C16-F30 HydrophobicContact CB-CE2 4.43Å; C16-M123 HydrophobicContact CB-CE 3.98Å; C16-M123 WeakPolarHBondContact SG-CE 3.24Å; C16-F207 HydrophobicContact CB-CE1 3.62Å; C16-F207 HydrophobicContact CB-CZ 3.78Å
17E91.3Very high84.3Confident121 Ų12169 Ų6957%0.56537%0.372SS*.EExtended strand (participates in β ladder)trans-123.7130.5173.9-67.5-175.616600107.9L20 A28 S29E17-L20 HydrophobicContact CB-CD1 3.82Å; E17-L20 HydrophobicContact CB-CD2 4.24Å; E17-L20 HydrophobicContact CB-CG 4.13Å; E17-A28 CarbonylContact O-C 3.55Å; E17-A28 VanDerWaalsContact O-CA 3.29Å; E17-A28 WeakPolarHBondContact O-CA 3.38Å; E17-S29 PolarHBondContact N-O 3.46Å; E17-S29 PolarHBondContact O-N 2.84Å
18Q89.2Confident86.3Confident29 Ų2967.4 Ų67.414%0.13636%0.36CS..EExtended strand (participates in β ladder)trans-108.5154-179.1-64.5176-9.900110S27 M123 R215Q18-S27 CarbonylContact C-O 3.56Å; Q18-S27 WeakPolarHBondContact CA-O 3.39Å; Q18-M123 HydrophobicContact CG-CE 4.41Å; Q18-R215 VanDerWaalsContact OE1-CD 3.29Å
19T88.4Confident88.1Confident71 Ų7162.7 Ų62.744%0.43633%0.332SS..  trans58.348.6175.4-41.30000113.5S27 D127 R215T19-S27 VanDerWaalsContact CA-OG 3.28Å; T19-S27 WeakPolarHBondContact CA-OG 3.35Å; T19-S27 PolarHBondContact N-O 3.11Å; T19-D127 PolarHBondContact N-OD2 2.86Å; T19-D127 VanDerWaalsContact OG1-CG 3.25Å; T19-D127 PolarHBondContact OG1-OD1 2.87Å; T19-D127 PolarHBondContact OG1-OD2 2.84Å; T19-R215 PolarHBondContact OG1-NH1 3.34Å; T19-R215 PolarHBondContact OG1-NH2 2.98Å
20L87.3Confident89.3Confident81 Ų8161.3 Ų61.342%0.42432%0.324SS..  trans-83.6-28.3174.4-69.4172.5000112.3E17 S27 S29 M38E17-L20 HydrophobicContact CB-CD1 3.82Å; E17-L20 HydrophobicContact CB-CD2 4.24Å; E17-L20 HydrophobicContact CB-CG 4.13Å; L20-S27 PolarHBondContact N-OG 2.97Å; L20-S27 VanDerWaalsContact N-OG 3.07Å; L20-S29 VanDerWaalsContact CD1-CB 3.43Å; L20-M38 HydrophobicContact CB-SD 4.48Å; L20-M38 HydrophobicContact CD1-CE 3.66Å; L20-M38 HydrophobicContact CD1-SD 4.09Å
21L89.7Confident90.1Very high69 Ų6960 Ų6036%0.36131%0.313SS..  trans-98.7136.5-177.7-58174.4000109.9P24 S27 M38L21-P24 HydrophobicContact CB-CG 3.6Å; L21-P24 HydrophobicContact CD1-CG 3.77Å; L21-P24 HydrophobicContact CG-CG 4.34Å; L21-S27 PolarHBondContact N-OG 3.28Å; L21-M38 HydrophobicContact CD1-CG 4.28Å
22S88.4Confident90.5Very high124 Ų12459 Ų5987%0.86731%0.307SS*.SBendtrans-89.1-15.7-176.5570000115
23R89.9Confident90.7Very high222 Ų22258 Ų5884%0.83831%0.311SS*.SBendtrans-98.4-40.8-176.2-66.9-171.7176.9-175.8-0.4115
24P91.9Very high90.9Very high15 Ų1554 Ų5410%0.09730%0.296CS..SBendtrans-68.3154.9175.3-12.427.2000111.2L21 G26 V41 Y42L21-P24 HydrophobicContact CB-CG 3.6Å; L21-P24 HydrophobicContact CD1-CG 3.77Å; L21-P24 HydrophobicContact CG-CG 4.34Å; P24-G26 VanDerWaalsContact C-N 3.27Å; P24-G26 WeakPolarHBondContact CB-O 3.12Å; P24-G26 PolarHBondContact O-N 3.06Å; P24-V41 VanDerWaalsContact CB-O 3.29Å; P24-V41 WeakPolarHBondContact CB-O 3.3Å; P24-Y42 HydrophobicContact CB-CD1 4.29Å; P24-Y42 HydrophobicContact CB-CE1 3.93Å; P24-Y42 HydrophobicContact CB-CE2 4.17Å; P24-Y42 HydrophobicContact CG-CE1 4.1Å; P24-Y42 HydrophobicContact CG-CE2 4.25Å
25D92.8Very high91Very high99 Ų9951.8 Ų51.853%0.52929%0.286SS..SBendtrans-69.2-29.1176.2-58.5-64.1000111.8V41 Y42 G43D25-V41 PolarHBondContact N-O 3.41Å; D25-Y42 WeakPolarHBondContact OD2-CA 2.93Å; D25-G43 PolarHBondContact OD2-N 3.16Å
26G92.8Very high91.1Very high1 Ų151.3 Ų51.31%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-145.5149.1169.300000112P24 V41 D127P24-G26 VanDerWaalsContact C-N 3.27Å; P24-G26 WeakPolarHBondContact CB-O 3.12Å; P24-G26 PolarHBondContact O-N 3.06Å; G26-V41 PolarHBondContact N-O 3.42Å; G26-V41 PolarHBondContact O-N 3.41Å; G26-D127 WeakPolarHBondContact CA-OD2 3.26Å
27S94.8Very high91.3Very high1 Ų150 Ų501%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-146.3149174.656.90000112.3Q18 T19 L20 L21 A39 D127Q18-S27 CarbonylContact C-O 3.56Å; Q18-S27 WeakPolarHBondContact CA-O 3.39Å; T19-S27 VanDerWaalsContact CA-OG 3.28Å; T19-S27 WeakPolarHBondContact CA-OG 3.35Å; T19-S27 PolarHBondContact N-O 3.11Å; L20-S27 PolarHBondContact N-OG 2.97Å; L20-S27 VanDerWaalsContact N-OG 3.07Å; L21-S27 PolarHBondContact N-OG 3.28Å; S27-A39 CarbonylContact C-O 3.51Å; S27-A39 WeakPolarHBondContact CA-O 3.42Å; S27-A39 WeakPolarHBondContact CB-O 3.42Å; S27-D127 PolarHBondContact N-OD2 2.97Å
28A94.9Very high91.5Very high0 Ų045.9 Ų45.90%025%0.25CS..EExtended strand (participates in β ladder)trans-147.9133.4173.700000110.9E17 A39 M123 A124E17-A28 CarbonylContact O-C 3.55Å; E17-A28 VanDerWaalsContact O-CA 3.29Å; E17-A28 WeakPolarHBondContact O-CA 3.38Å; A28-A39 PolarHBondContact N-O 3.18Å; A28-A39 PolarHBondContact O-N 3.49Å; A28-M123 HydrophobicContact CB-CB 3.61Å; A28-A124 HydrophobicContact CB-CB 3.93Å
29S94.5Very high91.9Very high12 Ų1244.5 Ų44.58%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-94.6130.9162.3-1770000108.4C16 E17 L20 V37C16-S29 VanDerWaalsContact CA-O 3.27Å; C16-S29 WeakPolarHBondContact CA-O 3.28Å; C16-S29 PolarHBondContact SG-O 2.95Å; E17-S29 PolarHBondContact N-O 3.46Å; E17-S29 PolarHBondContact O-N 2.84Å; L20-S29 VanDerWaalsContact CD1-CB 3.43Å; S29-V37 WeakPolarHBondContact CA-O 3.23Å
30F94.1Very high92.3Very high0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-120.7131.4171.7-164.4-94.6000109F14 C16 Q32 S36 V37 N119 A120 F207 Y208F14-F30 HydrophobicContact CB-CE1 4.24Å; F14-F30 HydrophobicContact CB-CZ 3.88Å; F14-F30 HydrophobicContact CG-CZ 4.3Å; C16-F30 HydrophobicContact CB-CD2 3.96Å; C16-F30 HydrophobicContact CB-CE2 4.43Å; F30-Q32 HydrophobicContact CD1-CB 4.42Å; F30-Q32 HydrophobicContact CE1-CB 3.95Å; F30-S36 WeakPolarHBondContact O-CA 3.44Å; F30-V37 PolarHBondContact N-O 3Å; F30-V37 PolarHBondContact O-N 3.25Å; F30-N119 HydrophobicContact CD1-CB 3.83Å; F30-N119 HydrophobicContact CD2-CB 4.08Å; F30-N119 HydrophobicContact CE1-CB 3.7Å; F30-N119 HydrophobicContact CE2-CB 3.98Å; F30-N119 HydrophobicContact CG-CB 4.02Å; F30-N119 HydrophobicContact CZ-CB 3.79Å; F30-A120 HydrophobicContact CB-CB 3.75Å; F30-F207 HydrophobicContact CE2-CD1 4.43Å; F30-F207 AromaticContact CE2-CE1 3.97Å; F30-F207 HydrophobicContact CE2-CE1 3.97Å; F30-Y208 HydrophobicContact CE2-CE1 4.07Å
31V92.8Very high92.7Very high53 Ų5337.5 Ų37.532%0.32121%0.205SC..EExtended strand (participates in β ladder)trans-123132.9178.9-176.40000107.4F14 G15 G33 T35F14-V31 CarbonylContact C-O 3.57Å; F14-V31 WeakPolarHBondContact CA-O 3.47Å; F14-V31 VanDerWaalsContact CB-O 3.26Å; F14-V31 WeakPolarHBondContact CB-O 3.36Å; G15-V31 PolarHBondContact N-O 3.24Å; G15-V31 PolarHBondContact O-N 3.09Å; V31-G33 WeakPolarHBondContact CG1-O 3.29Å; V31-T35 CarbonylContact C-O 3.59Å; V31-T35 WeakPolarHBondContact CA-O 3.43Å
32Q90.1Very high92.9Very high3 Ų338.5 Ų38.51%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-139.1106.4175.9-175.3167.77.800109F14 F30 D34 T35 D152F14-Q32 HydrophobicContact CB-CB 4.29Å; F14-Q32 HydrophobicContact CB-CG 4.33Å; F30-Q32 HydrophobicContact CD1-CB 4.42Å; F30-Q32 HydrophobicContact CE1-CB 3.95Å; Q32-D34 PolarHBondContact O-N 3.43Å; Q32-T35 PolarHBondContact N-O 3.03Å; Q32-T35 PolarHBondContact O-N 3.46Å; Q32-D152 PolarHBondContact NE2-OD1 3.42Å; Q32-D152 PolarHBondContact NE2-OD2 3.04Å; Q32-D152 VanDerWaalsContact NE2-OD2 3.15Å
33G88.4Confident92.6Very high26 Ų2633 Ų3327%0.26817%0.168SC..THydrogen-bonded Turntrans53.5-122.6-164.800000110.4E13 V31E13-G33 PolarHBondContact O-N 3.24Å; V31-G33 WeakPolarHBondContact CG1-O 3.29Å
34D87.9Confident92.4Very high102 Ų10225.7 Ų25.755%0.54515%0.149SC..THydrogen-bonded Turntrans-86.8-12.5-179.7-58.8-52.6000113.6Q32 H107 D109Q32-D34 PolarHBondContact O-N 3.43Å; D34-H107 WeakPolarHBondContact O-CB 3.25Å; D34-H107 PolarHBondContact O-CD2 3.32Å; D34-H107 VanDerWaalsContact O-CG 3.23Å; D34-D109 HydrophobicContact CB-CB 4.12Å
35T90.5Very high92.3Very high0 Ų027.4 Ų27.40%016%0.164CC..EExtended strand (participates in β ladder)trans-82.8129179.1-590000110.4V31 Q32 H107 D109 L113 C116V31-T35 CarbonylContact C-O 3.59Å; V31-T35 WeakPolarHBondContact CA-O 3.43Å; Q32-T35 PolarHBondContact N-O 3.03Å; Q32-T35 PolarHBondContact O-N 3.46Å; T35-H107 WeakPolarHBondContact CA-O 3.37Å; T35-D109 VanDerWaalsContact OG1-CB 3.29Å; T35-D109 WeakPolarHBondContact OG1-CB 3.4Å; T35-D109 PolarHBondContact OG1-N 3.35Å; T35-L113 HydrophobicContact CG2-CD1 4.23Å; T35-C116 HydrophobicContact CG2-CB 3.92Å
36S92.9Very high92Very high22 Ų2231.7 Ų31.715%0.15418%0.181CC..EExtended strand (participates in β ladder)trans-134.2133177.3540000112F30 L106 H107F30-S36 WeakPolarHBondContact O-CA 3.44Å; S36-L106 WeakPolarHBondContact O-CB 3.41Å; S36-L106 PolarHBondContact O-N 2.72Å; S36-L106 WeakPolarHBondContact OG-CB 3.13Å; S36-H107 PolarHBondContact N-O 2.77Å; S36-H107 PolarHBondContact O-N 2.74Å; S36-H107 VanDerWaalsContact O-N 3.11Å; S36-H107 WeakPolarHBondContact OG-CB 3.27Å; S36-H107 PolarHBondContact OG-N 2.81Å
37V95.1Very high91.8Very high0 Ų032.4 Ų32.40%019%0.185CC..EExtended strand (participates in β ladder)trans-133.4134.2-178.5179.80000109.3S29 F30 L103 L113 C116 A120S29-V37 WeakPolarHBondContact CA-O 3.23Å; F30-V37 PolarHBondContact N-O 3Å; F30-V37 PolarHBondContact O-N 3.25Å; V37-L103 HydrophobicContact CG1-CB 4.48Å; V37-L103 HydrophobicContact CG1-CD2 3.94Å; V37-L113 HydrophobicContact CG2-CD1 3.98Å; V37-C116 HydrophobicContact CG2-CB 4.16Å; V37-A120 HydrophobicContact CB-CB 4.29Å; V37-A120 HydrophobicContact CG1-CB 4.1Å
38M95.6Very high91.4Very high34 Ų3440 Ų4017%0.16722%0.218CC..EExtended strand (participates in β ladder)trans-102.7128172-175.269.764.800109.5L20 L21 L103 Q104 L106L20-M38 HydrophobicContact CB-SD 4.48Å; L20-M38 HydrophobicContact CD1-CE 3.66Å; L20-M38 HydrophobicContact CD1-SD 4.09Å; L21-M38 HydrophobicContact CD1-CG 4.28Å; M38-L103 CarbonylContact O-C 3.5Å; M38-L103 WeakPolarHBondContact O-CA 3.26Å; M38-Q104 HydrophobicContact CB-CB 4.42Å; M38-Q104 PolarHBondContact N-O 3.1Å; M38-Q104 PolarHBondContact O-N 2.93Å; M38-L106 HydrophobicContact CB-CD1 4.19Å; M38-L106 HydrophobicContact CB-CG 4.34Å; M38-L106 HydrophobicContact CE-CD1 4.31Å
39A96.6Very high91Very high0 Ų047.2 Ų47.20%026%0.255CS..EExtended strand (participates in β ladder)trans-111134.9174.200000110.2S27 A28 I102 L103 A120 A124S27-A39 CarbonylContact C-O 3.51Å; S27-A39 WeakPolarHBondContact CA-O 3.42Å; S27-A39 WeakPolarHBondContact CB-O 3.42Å; A28-A39 PolarHBondContact N-O 3.18Å; A28-A39 PolarHBondContact O-N 3.49Å; A39-I102 CarbonylContact C-O 3.57Å; A39-I102 WeakPolarHBondContact CA-O 3.46Å; A39-L103 HydrophobicContact CB-CD2 3.67Å; A39-A120 HydrophobicContact CB-CB 3.9Å; A39-A120 WeakPolarHBondContact CB-O 3.35Å; A39-A124 HydrophobicContact CB-CB 3.59Å
40G96.4Very high90.6Very high4 Ų451.8 Ų51.84%0.04129%0.287CS..EExtended strand (participates in β ladder)trans-125.6132.9170.300000109.9I102G40-I102 PolarHBondContact N-O 2.92Å; G40-I102 PolarHBondContact O-N 2.79Å
41V96.2Very high90.1Very high1 Ų156.6 Ų56.61%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-114.7132.7179.2174.80000108.6P24 D25 G26 T100 L101 A124 L125 A128 L130P24-V41 VanDerWaalsContact CB-O 3.29Å; P24-V41 WeakPolarHBondContact CB-O 3.3Å; D25-V41 PolarHBondContact N-O 3.41Å; G26-V41 PolarHBondContact N-O 3.42Å; G26-V41 PolarHBondContact O-N 3.41Å; V41-T100 WeakPolarHBondContact CA-O 3.34Å; V41-L101 HydrophobicContact CG2-CD1 3.47Å; V41-L101 VanDerWaalsContact CG2-CD1 3.47Å; V41-A124 HydrophobicContact CG2-CB 3.7Å; V41-L125 HydrophobicContact CG1-CD2 4.2Å; V41-L125 HydrophobicContact CG2-CD2 3.88Å; V41-L125 HydrophobicContact CG2-CG 4.32Å; V41-A128 HydrophobicContact CB-CB 4.02Å; V41-A128 HydrophobicContact CG1-CB 3.69Å; V41-L130 HydrophobicContact CG1-CD1 3.68Å
42Y94Very high89.8Confident90 Ų9058.1 Ų58.135%0.35331%0.311SS..EExtended strand (participates in β ladder)trans-121.6128.5174.3-61.6-93.1000109.2P24 D25 L99 T100 I102P24-Y42 HydrophobicContact CB-CD1 4.29Å; P24-Y42 HydrophobicContact CB-CE1 3.93Å; P24-Y42 HydrophobicContact CB-CE2 4.17Å; P24-Y42 HydrophobicContact CG-CE1 4.1Å; P24-Y42 HydrophobicContact CG-CE2 4.25Å; D25-Y42 WeakPolarHBondContact OD2-CA 2.93Å; Y42-L99 WeakPolarHBondContact O-CA 3.44Å; Y42-T100 PolarHBondContact N-O 3.48Å; Y42-T100 PolarHBondContact O-N 2.87Å; Y42-I102 HydrophobicContact CD2-CD1 4.16Å; Y42-I102 HydrophobicContact CD2-CG1 4.4Å; Y42-I102 HydrophobicContact CE2-CD1 3.72Å; Y42-I102 HydrophobicContact CE2-CG1 4.25Å
43G82.1Confident89.7Confident8 Ų860 Ų608%0.08232%0.322CS..EExtended strand (participates in β ladder)trans124.7179.417000000114D25D25-G43 PolarHBondContact OD2-N 3.16Å
44P86.3Confident89.6Confident68 Ų6867.9 Ų67.944%0.44234%0.344SS..EExtended strand (participates in β ladder)cis-73.5123.311.226-31.9000114.2H94 L99P44-H94 HydrophobicContact CB-CB 4.49Å; P44-L99 HydrophobicContact CB-CD2 4.07Å
45A89.1Confident89.7Confident51 Ų5166.1 Ų66.142%0.42134%0.335SS..EExtended strand (participates in β ladder)trans-114167.317900000112V47 S97 S98A45-V47 PolarHBondContact O-N 2.84Å; A45-S97 CarbonylContact O-C 3.57Å; A45-S97 WeakPolarHBondContact O-CA 3.38Å; A45-S98 PolarHBondContact N-O 3.38Å; A45-S98 PolarHBondContact O-N 2.79Å; A45-S98 PolarHBondContact O-OG 2.86Å
46E86.9Confident89.6Confident189 Ų18971.2 Ų71.288%0.88335%0.354SS*.EExtended strand (participates in β ladder)trans-67.2128178.3-168.7173.1-171.500111.5
47V88.5Confident89.5Confident16 Ų1670.2 Ų70.210%0.09735%0.347CS..PPolyproline II helixtrans-88.1146.9-178.170.40000111A45 K51 E52 R96A45-V47 PolarHBondContact O-N 2.84Å; V47-K51 HydrophobicContact CG2-CB 4.02Å; V47-K51 WeakPolarHBondContact CG2-O 3.22Å; V47-E52 HydrophobicContact CG1-CB 3.7Å; V47-E52 HydrophobicContact CG1-CG 3.67Å; V47-R96 WeakPolarHBondContact CG1-O 3.47Å
48K86.6Confident89.3Confident160 Ų16071.2 Ų71.270%0.69635%0.353SS*.PPolyproline II helixtrans-66.7140.6169.4-67.4-178.5-179.9178.30109.6S50 K51 E52K48-S50 PolarHBondContact O-N 2.81Å; K48-K51 CarbonylContact O-C 3.54Å; K48-K51 PolarHBondContact O-N 3.21Å; K48-E52 PolarHBondContact O-N 2.6Å; K48-E52 VanDerWaalsContact O-N 3.11Å
49I85.7Confident89.2Confident152 Ų15270 Ų7078%0.77935%0.347SS*.G310 helixtrans-49.6-34.1179-57.8169.5000112.4K51 E52I49-K51 VanDerWaalsContact C-N 3.3Å; I49-K51 PolarHBondContact O-N 3.29Å; I49-E52 PolarHBondContact O-N 3.43Å
50S87.1Confident89Confident108 Ų10872.5 Ų72.576%0.75536%0.359SS*.G310 helixtrans-69.9-21.1179.359.20000115.3K48K48-S50 PolarHBondContact O-N 2.81Å
51K84.3Confident89Confident102 Ų10272.4 Ų72.444%0.44336%0.358SS..G310 helixtrans-118.611-179.1-63.2-174.7176.9-179.70111.7V47 K48 I49 T58 E60V47-K51 HydrophobicContact CG2-CB 4.02Å; V47-K51 WeakPolarHBondContact CG2-O 3.22Å; K48-K51 CarbonylContact O-C 3.54Å; K48-K51 PolarHBondContact O-N 3.21Å; I49-K51 VanDerWaalsContact C-N 3.3Å; I49-K51 PolarHBondContact O-N 3.29Å; K51-T58 PolarHBondContact O-OG1 2.93Å; K51-E60 WeakPolarHBondContact CD-OE1 3.45Å; K51-E60 WeakPolarHBondContact CE-OE1 3.3Å; K51-E60 IonicContact NZ-OE1 2.85Å; K51-E60 PolarHBondContact NZ-OE1 3.44Å; K51-E60 IonicContact NZ-OE2 3.64Å
52E85.9Confident88.9Confident84 Ų8474.8 Ų74.839%0.39337%0.37SS..  trans-73.2127.6-179.5-172.3174.9177.400109.7V47 K48 I49 R96V47-E52 HydrophobicContact CG1-CB 3.7Å; V47-E52 HydrophobicContact CG1-CG 3.67Å; K48-E52 PolarHBondContact O-N 2.6Å; K48-E52 VanDerWaalsContact O-N 3.11Å; I49-E52 PolarHBondContact O-N 3.43Å; E52-R96 HydrophobicContact CG-CB 4.14Å; E52-R96 HydrophobicContact CG-CG 4.07Å; E52-R96 WeakPolarHBondContact OE1-CB 3.45Å; E52-R96 WeakPolarHBondContact OE1-CD 3.4Å; E52-R96 WeakPolarHBondContact OE1-CG 3.29Å
53I87.1Confident88.9Confident44 Ų4470.5 Ų70.523%0.22635%0.353CS..  trans-116.3128.5173.5-58.3174.7000106.9D55 R56 R96I53-D55 WeakPolarHBondContact CG2-OD1 3.43Å; I53-R56 HydrophobicContact CB-CG 4.2Å; I53-R56 WeakPolarHBondContact CB-O 3.33Å; I53-R56 HydrophobicContact CD1-CG 4.47Å; I53-R56 HydrophobicContact CG2-CG 3.44Å; I53-R56 VanDerWaalsContact CG2-CG 3.44Å; I53-R56 VanDerWaalsContact O-O 3.06Å; I53-R96 PolarHBondContact O-N 2.83Å
54Y87.3Confident89.5Confident191 Ų19173.2 Ų73.275%0.74936%0.364SS*.SBendtrans-76-31.7-170.660.3-90000112.6P95Y54-P95 WeakPolarHBondContact O-CB 3.21Å
55D88.7Confident89.7Confident64 Ų6471 Ų7134%0.34235%0.35SS..SBendtrans-95.6-16.3-174.259.5-51.7000114.1I53I53-D55 WeakPolarHBondContact CG2-OD1 3.43Å
56R89.4Confident89.7Confident108 Ų10874.7 Ų74.741%0.40836%0.356SS..SBendtrans-153.2159.4-175.459.8178.1-175.3-90.37.2113I53 L91I53-R56 HydrophobicContact CB-CG 4.2Å; I53-R56 WeakPolarHBondContact CB-O 3.33Å; I53-R56 HydrophobicContact CD1-CG 4.47Å; I53-R56 HydrophobicContact CG2-CG 3.44Å; I53-R56 VanDerWaalsContact CG2-CG 3.44Å; I53-R56 VanDerWaalsContact O-O 3.06Å; R56-L91 WeakPolarHBondContact CA-O 3.08Å; R56-L91 HydrophobicContact CB-CB 3.97Å
57A90.3Very high89.8Confident1 Ų171.6 Ų71.61%0.00835%0.35CS..PPolyproline II helixtrans-66.8143.7167.100000111.4L91 H94 S97 L99A57-L91 HydrophobicContact CB-CB 4.21Å; A57-L91 HydrophobicContact CB-CD2 3.95Å; A57-L91 PolarHBondContact N-O 3.36Å; A57-H94 WeakPolarHBondContact CA-O 3.44Å; A57-H94 HydrophobicContact CB-CB 4.28Å; A57-H94 VanDerWaalsContact CB-O 3.29Å; A57-H94 WeakPolarHBondContact CB-O 3.45Å; A57-H94 PolarHBondContact N-O 3.07Å; A57-S97 CarbonylContact C-O 3.45Å; A57-S97 WeakPolarHBondContact CA-O 3.37Å; A57-L99 HydrophobicContact CB-CD1 4.33Å
58T91.4Very high89.8Confident21 Ų2173.7 Ų73.713%0.12938%0.375CS..EExtended strand (participates in β ladder)trans-87.1122.3173.4-56.60000109.3K51 S97 S98 L99K51-T58 PolarHBondContact O-OG1 2.93Å; T58-S97 PolarHBondContact N-O 3.05Å; T58-S98 WeakPolarHBondContact O-CA 3.31Å; T58-L99 PolarHBondContact O-N 3.24Å
59L93.2Very high89.9Confident8 Ų873.8 Ų73.84%0.04238%0.382CS..EExtended strand (participates in β ladder)trans-97.4118.7176-178.268.2000111.2V61 R82 C85 E86 L89 L99L59-V61 HydrophobicContact CD2-CG2 4Å; L59-V61 HydrophobicContact CG-CG2 4.01Å; L59-R82 HydrophobicContact CD2-CG 4.26Å; L59-C85 HydrophobicContact CD2-CB 3.37Å; L59-E86 HydrophobicContact CB-CG 4.09Å; L59-E86 HydrophobicContact CD2-CG 3.85Å; L59-L89 HydrophobicContact CD1-CD1 4.29Å; L59-L89 HydrophobicContact CD2-CD1 4.24Å; L59-L99 WeakPolarHBondContact CA-O 3.47Å; L59-L99 HydrophobicContact CD1-CB 3.86Å
60E93.3Very high90Very high53 Ų5368.9 Ų68.925%0.24836%0.36CS..EExtended strand (participates in β ladder)trans-102.4127.7169.1-62.6-163.2171.500110K51 L99 T100 L101K51-E60 WeakPolarHBondContact CD-OE1 3.45Å; K51-E60 WeakPolarHBondContact CE-OE1 3.3Å; K51-E60 IonicContact NZ-OE1 2.85Å; K51-E60 PolarHBondContact NZ-OE1 3.44Å; K51-E60 IonicContact NZ-OE2 3.64Å; E60-L99 PolarHBondContact N-O 3.21Å; E60-T100 HydrophobicContact CB-CG2 4.41Å; E60-T100 CarbonylContact O-C 3.55Å; E60-T100 WeakPolarHBondContact O-CA 3.3Å; E60-L101 PolarHBondContact O-N 3.48Å
61V95.4Very high90.2Very high1 Ų165.2 Ų65.21%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-119.3128.3174.8-177.20000108.3L59 V81 R82 L101 L103L59-V61 HydrophobicContact CD2-CG2 4Å; L59-V61 HydrophobicContact CG-CG2 4.01Å; V61-V81 HydrophobicContact CG1-CB 4.08Å; V61-V81 HydrophobicContact CG1-CG1 3.85Å; V61-R82 HydrophobicContact CB-CB 4.2Å; V61-R82 HydrophobicContact CG2-CB 3.74Å; V61-R82 HydrophobicContact CG2-CG 4.15Å; V61-L101 WeakPolarHBondContact CA-O 3.38Å; V61-L101 HydrophobicContact CG1-CD2 4.04Å; V61-L101 HydrophobicContact CG2-CB 4.28Å; V61-L101 HydrophobicContact CG2-CD2 4.11Å; V61-L103 HydrophobicContact CG1-CD1 4.29Å
62L94.7Very high90.5Very high51 Ų5166.5 Ų66.527%0.26736%0.355SS..EExtended strand (participates in β ladder)trans-124126.5178-62.1173.8000109L101 I102 L103L62-L101 PolarHBondContact N-O 2.89Å; L62-I102 HydrophobicContact CD1-CG1 4.47Å; L62-L103 PolarHBondContact O-N 3.2Å
63V94.5Very high90.5Very high1 Ų170 Ų701%0.00637%0.365CS..EExtended strand (participates in β ladder)trans-113.6115176178.60000108.1E78 L103 V105V63-E78 HydrophobicContact CB-CG 3.68Å; V63-E78 HydrophobicContact CG2-CB 4.37Å; V63-E78 HydrophobicContact CG2-CG 3.54Å; V63-E78 VanDerWaalsContact N-CG 3.32Å; V63-E78 PolarHBondContact N-OE1 2.84Å; V63-L103 CarbonylContact C-O 3.56Å; V63-L103 WeakPolarHBondContact CA-O 3.4Å; V63-L103 HydrophobicContact CG2-CB 4.11Å; V63-L103 HydrophobicContact CG2-CD1 3.91Å; V63-V105 HydrophobicContact CG1-CG2 4.45Å
64H93.3Very high90.6Very high64 Ų6469.7 Ų69.730%0.29636%0.362SS..EExtended strand (participates in β ladder)trans-100.7121.9177.5-69.7-49.9000110.3L103 Q104 V105H64-L103 PolarHBondContact N-O 2.83Å; H64-Q104 PolarHBondContact O-NE2 2.87Å; H64-V105 WeakPolarHBondContact O-CG2 3.43Å; H64-V105 PolarHBondContact O-N 2.84Å
65P91.8Very high90.8Very high23 Ų2367 Ų6715%0.14935%0.351CS..  trans-69.6164.2174.531.4-33.7000110.2V67 E74 Q104P65-V67 VanDerWaalsContact C-N 3.31Å; P65-V67 PolarHBondContact O-N 3.39Å; P65-E74 HydrophobicContact CB-CG 4.32Å; P65-E74 HydrophobicContact CG-CG 4.34Å; P65-Q104 PolarHBondContact O-NE2 3.06Å
66K89.1Confident91Very high128 Ų12866.8 Ų66.856%0.55736%0.355SS*.SBendtrans-62.7-39.2175-176.1-172.2-175167.90112.3V105 L106K66-V105 WeakPolarHBondContact CA-O 3.47Å; K66-L106 WeakPolarHBondContact CD-O 3.36Å; K66-L106 VanDerWaalsContact CE-O 3.29Å; K66-L106 WeakPolarHBondContact CE-O 3.1Å
67V88.6Confident91Very high123 Ų12362.7 Ų62.775%0.74534%0.34SS*.SBendtrans-133134.5-174.9-175.50000109.1P65P65-V67 VanDerWaalsContact C-N 3.31Å; P65-V67 PolarHBondContact O-N 3.39Å
68G88Confident91.2Very high61 Ų6162.8 Ų62.863%0.62934%0.341SS*.SBendtrans86.9-173.2176.400000114
69L89.2Confident91.3Very high162 Ų16266.6 Ų66.685%0.84836%0.357SS*.  trans-91.8150.1178-66.1172.9000110.1G71L69-G71 PolarHBondContact O-N 3.24Å
70P88.1Confident91.3Very high49 Ų4967.4 Ų67.432%0.31836%0.363SS..  trans-61.6125.2177.425.9-33.9000110.5E74P70-E74 HydrophobicContact CB-CB 4.18Å
71G90.3Very high91.4Very high30 Ų3064.9 Ų64.931%0.30935%0.351SS..  trans-105-163.1178.800000112.5L69 R73 E74 R75L69-G71 PolarHBondContact O-N 3.24Å; G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 3.46Å; G71-E74 VanDerWaalsContact CA-OE2 3.29Å; G71-E74 WeakPolarHBondContact CA-OE2 3.23Å; G71-E74 PolarHBondContact N-OE2 2.97Å; G71-E74 PolarHBondContact O-N 3.49Å; G71-R75 WeakPolarHBondContact O-CG 3.33Å; G71-R75 PolarHBondContact O-N 3.12Å; G71-R75 VanDerWaalsContact O-N 3.07Å
72V91.1Very high91.4Very high130 Ų13068.6 Ų68.679%0.78837%0.365SS*.Hα-helixtrans-65.1-34.2-177.9-177.80000111.9R75 S76V72-R75 PolarHBondContact O-N 3.45Å; V72-S76 PolarHBondContact O-N 2.81Å
73R86.3Confident91.3Very high157 Ų15770.8 Ų70.859%0.59237%0.374SS*.Hα-helixtrans-63.6-47.4178.6-70.7-175.262.8175.6-3.3110.9G71 S76 Q77G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 3.46Å; R73-S76 PolarHBondContact O-N 3.11Å; R73-S76 PolarHBondContact O-OG 2.95Å; R73-Q77 WeakPolarHBondContact O-CG 3.42Å; R73-Q77 PolarHBondContact O-N 3.09Å; R73-Q77 VanDerWaalsContact O-N 3.13Å
74E89.7Confident91.3Very high37 Ų3770.8 Ų70.817%0.17337%0.374CS..Hα-helixtrans-65.8-40.9178.8-63.866.7-142.900110.2P65 P70 G71 S76 Q77 E78P65-E74 HydrophobicContact CB-CG 4.32Å; P65-E74 HydrophobicContact CG-CG 4.34Å; P70-E74 HydrophobicContact CB-CB 4.18Å; G71-E74 VanDerWaalsContact CA-OE2 3.29Å; G71-E74 WeakPolarHBondContact CA-OE2 3.23Å; G71-E74 PolarHBondContact N-OE2 2.97Å; G71-E74 PolarHBondContact O-N 3.49Å; E74-S76 VanDerWaalsContact C-N 3.33Å; E74-S76 PolarHBondContact O-N 3.5Å; E74-Q77 CarbonylContact O-C 3.5Å; E74-Q77 WeakPolarHBondContact O-CB 3.49Å; E74-Q77 PolarHBondContact O-N 2.91Å; E74-Q77 VanDerWaalsContact O-N 3.08Å; E74-E78 WeakPolarHBondContact O-CG 3.45Å; E74-E78 PolarHBondContact O-N 3.44Å
75R91.3Very high91.3Very high134 Ų13467.7 Ų67.751%0.50636%0.36SS..Hα-helixtrans-57.6-41.3173.3-70.5-55.2-167.6179-0.9113.3G71 V72 Q77 E78 Q79G71-R75 WeakPolarHBondContact O-CG 3.33Å; G71-R75 PolarHBondContact O-N 3.12Å; G71-R75 VanDerWaalsContact O-N 3.07Å; V72-R75 PolarHBondContact O-N 3.45Å; R75-Q77 VanDerWaalsContact C-N 3.35Å; R75-E78 WeakPolarHBondContact CD-OE2 3.29Å; R75-E78 IonicContact CZ-OE2 3.8Å; R75-E78 IonicContact NE-OE2 2.59Å; R75-E78 IonicContact NH1-OE1 3.4Å; R75-E78 IonicContact NH1-OE2 3.77Å; R75-E78 PolarHBondContact NH1-OE2 3.43Å; R75-E78 WeakPolarHBondContact O-CB 3.44Å; R75-E78 PolarHBondContact O-N 2.95Å; R75-Q79 PolarHBondContact O-N 3.33Å
76S91.4Very high91.3Very high61 Ų6170.4 Ų70.443%0.42737%0.37SS..Hα-helixtrans-66.3-36.3175.365.50000112.9V72 R73 E74 Q79 C80V72-S76 PolarHBondContact O-N 2.81Å; R73-S76 PolarHBondContact O-N 3.11Å; R73-S76 PolarHBondContact O-OG 2.95Å; E74-S76 VanDerWaalsContact C-N 3.33Å; E74-S76 PolarHBondContact O-N 3.5Å; S76-Q79 PolarHBondContact O-N 2.93Å; S76-C80 PolarHBondContact O-N 2.94Å; S76-C80 VanDerWaalsContact O-N 3.13Å; S76-C80 PolarHBondContact O-SG 3.06Å
77Q91.1Very high91.5Very high21 Ų2167.4 Ų67.410%0.09837%0.369CS..Hα-helixtrans-69.4-41.8174.8-67.2176.40.200111.4R73 E74 R75 Q79 C80 V81 L114R73-Q77 WeakPolarHBondContact O-CG 3.42Å; R73-Q77 PolarHBondContact O-N 3.09Å; R73-Q77 VanDerWaalsContact O-N 3.13Å; E74-Q77 CarbonylContact O-C 3.5Å; E74-Q77 WeakPolarHBondContact O-CB 3.49Å; E74-Q77 PolarHBondContact O-N 2.91Å; E74-Q77 VanDerWaalsContact O-N 3.08Å; R75-Q77 VanDerWaalsContact C-N 3.35Å; Q77-Q79 VanDerWaalsContact C-N 3.26Å; Q77-Q79 PolarHBondContact O-N 3.44Å; Q77-C80 PolarHBondContact O-N 2.8Å; Q77-V81 WeakPolarHBondContact O-CG2 3.23Å; Q77-V81 PolarHBondContact O-N 2.97Å; Q77-L114 HydrophobicContact CB-CD1 4.12Å; Q77-L114 HydrophobicContact CG-CD1 4.21Å
78E93.8Very high91.6Very high4 Ų461.5 Ų61.52%0.01933%0.334CS..Hα-helixtrans-53.5-45.8172.8-76.4174.4-177.900111.1V63 E74 R75 V81 R82V63-E78 HydrophobicContact CB-CG 3.68Å; V63-E78 HydrophobicContact CG2-CB 4.37Å; V63-E78 HydrophobicContact CG2-CG 3.54Å; V63-E78 VanDerWaalsContact N-CG 3.32Å; V63-E78 PolarHBondContact N-OE1 2.84Å; E74-E78 WeakPolarHBondContact O-CG 3.45Å; E74-E78 PolarHBondContact O-N 3.44Å; R75-E78 WeakPolarHBondContact CD-OE2 3.29Å; R75-E78 IonicContact CZ-OE2 3.8Å; R75-E78 IonicContact NE-OE2 2.59Å; R75-E78 IonicContact NH1-OE1 3.4Å; R75-E78 IonicContact NH1-OE2 3.77Å; R75-E78 PolarHBondContact NH1-OE2 3.43Å; R75-E78 WeakPolarHBondContact O-CB 3.44Å; R75-E78 PolarHBondContact O-N 2.95Å; E78-V81 PolarHBondContact O-N 2.87Å; E78-R82 VanDerWaalsContact O-CB 3.25Å; E78-R82 WeakPolarHBondContact O-CB 3.18Å; E78-R82 PolarHBondContact O-N 3.14Å
79Q93.4Very high91.9Very high101 Ų10159.1 Ų59.147%0.47231%0.306SS..Hα-helixtrans-63.2-47178.1-177174.9-7.100111.7R75 S76 Q77 V81 R82 E83R75-Q79 PolarHBondContact O-N 3.33Å; S76-Q79 PolarHBondContact O-N 2.93Å; Q77-Q79 VanDerWaalsContact C-N 3.26Å; Q77-Q79 PolarHBondContact O-N 3.44Å; Q79-V81 VanDerWaalsContact C-N 3.32Å; Q79-V81 PolarHBondContact O-N 2.79Å; Q79-R82 PolarHBondContact O-N 3.04Å; Q79-E83 HydrophobicContact CG-CG 4.43Å; Q79-E83 VanDerWaalsContact CG-OE1 3.25Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.38Å; Q79-E83 PolarHBondContact NE2-OE1 2.85Å; Q79-E83 WeakPolarHBondContact O-CG 3.38Å; Q79-E83 PolarHBondContact O-N 2.9Å
80C93.4Very high92Very high25 Ų2555.1 Ų55.117%0.16929%0.285CS..Hα-helixtrans-59.8-42.7178.2-660000112.2S76 Q77 T84 L114 M178S76-C80 PolarHBondContact O-N 2.94Å; S76-C80 VanDerWaalsContact O-N 3.13Å; S76-C80 PolarHBondContact O-SG 3.06Å; Q77-C80 PolarHBondContact O-N 2.8Å; C80-T84 WeakPolarHBondContact O-CB 3.46Å; C80-T84 PolarHBondContact O-N 2.85Å; C80-T84 VanDerWaalsContact O-N 3.16Å; C80-T84 PolarHBondContact O-OG1 3.49Å; C80-L114 HydrophobicContact CB-CD1 4.15Å; C80-L114 HydrophobicContact CB-CD2 4.46Å; C80-M178 HydrophobicContact CB-CE 3.98Å; C80-M178 HydrophobicContact CB-CG 4.33Å; C80-M178 HydrophobicContact CB-SD 4.15Å
81V94.7Very high92.1Very high0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-68.3-42.4177.5175.10000110.6V61 Q77 E78 Q79 T84 C85 L101 L103 L114 C117 L118 A121V61-V81 HydrophobicContact CG1-CB 4.08Å; V61-V81 HydrophobicContact CG1-CG1 3.85Å; Q77-V81 WeakPolarHBondContact O-CG2 3.23Å; Q77-V81 PolarHBondContact O-N 2.97Å; E78-V81 PolarHBondContact O-N 2.87Å; Q79-V81 VanDerWaalsContact C-N 3.32Å; Q79-V81 PolarHBondContact O-N 2.79Å; V81-T84 PolarHBondContact O-N 2.89Å; V81-C85 WeakPolarHBondContact O-CB 3.39Å; V81-C85 PolarHBondContact O-N 3.19Å; V81-C85 PolarHBondContact O-SG 3.39Å; V81-L101 HydrophobicContact CG1-CD2 3.8Å; V81-L103 HydrophobicContact CB-CD1 4.48Å; V81-L103 HydrophobicContact CG1-CD1 3.89Å; V81-L103 HydrophobicContact CG2-CD1 4.21Å; V81-L114 HydrophobicContact CG2-CD1 4.07Å; V81-C117 HydrophobicContact CG2-CB 4.41Å; V81-L118 HydrophobicContact CB-CD2 4.38Å; V81-L118 HydrophobicContact CG1-CD2 4.46Å; V81-L118 HydrophobicContact CG2-CD2 3.98Å; V81-L118 HydrophobicContact CG2-CG 4.38Å; V81-A121 HydrophobicContact CG1-CB 4.32Å
82R94.9Very high92Very high78 Ų7856.5 Ų56.529%0.29429%0.29SS..Hα-helixtrans-57.9-53.1177.1-174.5-174.6-57.4132.79111.1L59 V61 E78 Q79 T84 C85 E86L59-R82 HydrophobicContact CD2-CG 4.26Å; V61-R82 HydrophobicContact CB-CB 4.2Å; V61-R82 HydrophobicContact CG2-CB 3.74Å; V61-R82 HydrophobicContact CG2-CG 4.15Å; E78-R82 VanDerWaalsContact O-CB 3.25Å; E78-R82 WeakPolarHBondContact O-CB 3.18Å; E78-R82 PolarHBondContact O-N 3.14Å; Q79-R82 PolarHBondContact O-N 3.04Å; R82-T84 VanDerWaalsContact C-N 3.26Å; R82-T84 PolarHBondContact O-N 3.18Å; R82-C85 PolarHBondContact O-N 3.33Å; R82-C85 VanDerWaalsContact O-N 3.15Å; R82-E86 HydrophobicContact CG-CG 4.19Å; R82-E86 WeakPolarHBondContact CG-OE1 3.27Å; R82-E86 WeakPolarHBondContact O-CB 3.37Å; R82-E86 WeakPolarHBondContact O-CG 3.26Å; R82-E86 PolarHBondContact O-N 3.41Å
83E93.9Very high91.9Very high97 Ų9755 Ų5545%0.45328%0.277SS..Hα-helixtrans-58.4-40179.6-71.1171.2-171.500111.6Q79 A87Q79-E83 HydrophobicContact CG-CG 4.43Å; Q79-E83 VanDerWaalsContact CG-OE1 3.25Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.38Å; Q79-E83 PolarHBondContact NE2-OE1 2.85Å; Q79-E83 WeakPolarHBondContact O-CG 3.38Å; Q79-E83 PolarHBondContact O-N 2.9Å; E83-A87 WeakPolarHBondContact O-CB 3.36Å; E83-A87 PolarHBondContact O-N 2.9Å; E83-A87 VanDerWaalsContact O-N 3.14Å
84T93.9Very high91.9Very high1 Ų150.4 Ų50.41%0.00626%0.262CS..Hα-helixtrans-68-41.6177.3-52.20000112.3C80 V81 R82 S88 L118 F136 A168 M177 M178C80-T84 WeakPolarHBondContact O-CB 3.46Å; C80-T84 PolarHBondContact O-N 2.85Å; C80-T84 VanDerWaalsContact O-N 3.16Å; C80-T84 PolarHBondContact O-OG1 3.49Å; V81-T84 PolarHBondContact O-N 2.89Å; R82-T84 VanDerWaalsContact C-N 3.26Å; R82-T84 PolarHBondContact O-N 3.18Å; T84-S88 PolarHBondContact O-N 3.03Å; T84-S88 PolarHBondContact O-OG 2.93Å; T84-L118 HydrophobicContact CG2-CD2 3.9Å; T84-F136 HydrophobicContact CG2-CB 4.33Å; T84-F136 HydrophobicContact CG2-CD2 3.67Å; T84-F136 HydrophobicContact CG2-CE2 4.06Å; T84-F136 HydrophobicContact CG2-CG 3.92Å; T84-A168 HydrophobicContact CG2-CB 3.7Å; T84-M177 HydrophobicContact CG2-CB 4.46Å; T84-M177 HydrophobicContact CG2-CE 4.5Å; T84-M177 HydrophobicContact CG2-SD 4.43Å; T84-M177 WeakPolarHBondContact O-CE 3.43Å; T84-M178 WeakPolarHBondContact OG1-CB 3.49Å
85C93.6Very high91.8Very high0 Ų051.3 Ų51.30%027%0.271CS..Hα-helixtrans-71.3-41.1179.2-67.40000111.6L59 V81 R82 A87 S88 L89 L125L59-C85 HydrophobicContact CD2-CB 3.37Å; V81-C85 WeakPolarHBondContact O-CB 3.39Å; V81-C85 PolarHBondContact O-N 3.19Å; V81-C85 PolarHBondContact O-SG 3.39Å; R82-C85 PolarHBondContact O-N 3.33Å; R82-C85 VanDerWaalsContact O-N 3.15Å; C85-A87 VanDerWaalsContact C-N 3.29Å; C85-A87 PolarHBondContact O-N 3.18Å; C85-S88 WeakPolarHBondContact CA-OG 3.34Å; C85-S88 PolarHBondContact O-N 3.03Å; C85-S88 PolarHBondContact O-OG 2.91Å; C85-S88 VanDerWaalsContact O-OG 3.05Å; C85-L89 HydrophobicContact CB-CD1 4.19Å; C85-L89 VanDerWaalsContact O-CB 3.26Å; C85-L89 WeakPolarHBondContact O-CB 3.46Å; C85-L89 WeakPolarHBondContact O-CD1 3.43Å; C85-L89 VanDerWaalsContact O-CG 3.27Å; C85-L89 WeakPolarHBondContact O-CG 3.35Å; C85-L89 PolarHBondContact O-N 3.44Å; C85-L125 HydrophobicContact CB-CD1 4.44Å
86E92.2Very high91.7Very high80 Ų8052.5 Ų52.537%0.37428%0.276SS..Hα-helixtrans-61.8-37.7176-72.8-177.9174.400111.9L59 R82 S88 L91L59-E86 HydrophobicContact CB-CG 4.09Å; L59-E86 HydrophobicContact CD2-CG 3.85Å; R82-E86 HydrophobicContact CG-CG 4.19Å; R82-E86 WeakPolarHBondContact CG-OE1 3.27Å; R82-E86 WeakPolarHBondContact O-CB 3.37Å; R82-E86 WeakPolarHBondContact O-CG 3.26Å; R82-E86 PolarHBondContact O-N 3.41Å; E86-S88 VanDerWaalsContact C-N 3.31Å; E86-S88 PolarHBondContact O-N 3.4Å; E86-L91 HydrophobicContact CB-CD1 4.2Å; E86-L91 HydrophobicContact CG-CD1 3.98Å
87A92.1Very high91.7Very high64 Ų6450.7 Ų50.753%0.52926%0.263SS..Hα-helixtrans-72.9-21.417800000113.7E83 C85 M177E83-A87 WeakPolarHBondContact O-CB 3.36Å; E83-A87 PolarHBondContact O-N 2.9Å; E83-A87 VanDerWaalsContact O-N 3.14Å; C85-A87 VanDerWaalsContact C-N 3.29Å; C85-A87 PolarHBondContact O-N 3.18Å; A87-M177 HydrophobicContact CB-CE 3.32Å
88S92.3Very high91.7Very high0 Ų050.5 Ų50.50%026%0.264CS..Hα-helixtrans-97.7-33.5178.550.30000113.3T84 C85 E86 S133 F136T84-S88 PolarHBondContact O-N 3.03Å; T84-S88 PolarHBondContact O-OG 2.93Å; C85-S88 WeakPolarHBondContact CA-OG 3.34Å; C85-S88 PolarHBondContact O-N 3.03Å; C85-S88 PolarHBondContact O-OG 2.91Å; C85-S88 VanDerWaalsContact O-OG 3.05Å; E86-S88 VanDerWaalsContact C-N 3.31Å; E86-S88 PolarHBondContact O-N 3.4Å; S88-S133 PolarHBondContact O-N 3.45Å; S88-S133 PolarHBondContact O-OG 3.23Å; S88-F136 VanDerWaalsContact OG-CD1 3.24Å; S88-F136 WeakPolarHBondContact OG-CD1 3.21Å; S88-F136 WeakPolarHBondContact OG-CE1 3.24Å
89L92.5Very high91.7Very high11 Ų1150.6 Ų50.66%0.05827%0.265CS..BIsolated β-bridgetrans-76.5138.3-179.5-72.1164.9000112.3L59 C85 L91 L125 L130 M132L59-L89 HydrophobicContact CD1-CD1 4.29Å; L59-L89 HydrophobicContact CD2-CD1 4.24Å; C85-L89 HydrophobicContact CB-CD1 4.19Å; C85-L89 VanDerWaalsContact O-CB 3.26Å; C85-L89 WeakPolarHBondContact O-CB 3.46Å; C85-L89 WeakPolarHBondContact O-CD1 3.43Å; C85-L89 VanDerWaalsContact O-CG 3.27Å; C85-L89 WeakPolarHBondContact O-CG 3.35Å; C85-L89 PolarHBondContact O-N 3.44Å; L89-L91 VanDerWaalsContact C-N 3.26Å; L89-L91 HydrophobicContact CB-CD2 3.77Å; L89-L91 HydrophobicContact CB-CG 3.98Å; L89-L91 HydrophobicContact CD1-CD2 4.19Å; L89-L91 PolarHBondContact O-N 3.34Å; L89-L125 HydrophobicContact CD1-CD1 4.22Å; L89-L125 HydrophobicContact CD1-CD2 4.17Å; L89-L125 HydrophobicContact CD2-CD1 4.39Å; L89-L125 HydrophobicContact CD2-CD2 4.32Å; L89-L125 HydrophobicContact CG-CD1 4.41Å; L89-L130 HydrophobicContact CD2-CB 3.94Å; L89-L130 HydrophobicContact CD2-CD1 4.4Å; L89-M132 HydrophobicContact CD2-CG 3.49Å; L89-M132 VanDerWaalsContact CD2-CG 3.49Å; L89-M132 HydrophobicContact CD2-SD 4.34Å; L89-M132 HydrophobicContact CG-CG 4.3Å
90L92.3Very high91.8Very high78 Ų7847.3 Ų47.341%0.40825%0.252SS..  trans-84.169.5172.2-68.9172.8000110.3S92 L93 S131L90-S92 PolarHBondContact O-N 2.85Å; L90-S92 VanDerWaalsContact O-N 3.16Å; L90-L93 HydrophobicContact CB-CD1 3.71Å; L90-L93 HydrophobicContact CB-CG 4.25Å; L90-L93 HydrophobicContact CD1-CD1 4.03Å; L90-L93 PolarHBondContact O-N 2.99Å; L90-L93 VanDerWaalsContact O-N 3.16Å; L90-S131 PolarHBondContact N-O 2.95Å
91L89.4Confident91.9Very high15 Ų1546.1 Ų46.18%0.07924%0.244CC..G310 helixtrans-63.1-21.9-174.9-59.9174.5000113.7R56 A57 E86 L89 L93 H94 L99R56-L91 WeakPolarHBondContact CA-O 3.08Å; R56-L91 HydrophobicContact CB-CB 3.97Å; A57-L91 HydrophobicContact CB-CB 4.21Å; A57-L91 HydrophobicContact CB-CD2 3.95Å; A57-L91 PolarHBondContact N-O 3.36Å; E86-L91 HydrophobicContact CB-CD1 4.2Å; E86-L91 HydrophobicContact CG-CD1 3.98Å; L89-L91 VanDerWaalsContact C-N 3.26Å; L89-L91 HydrophobicContact CB-CD2 3.77Å; L89-L91 HydrophobicContact CB-CG 3.98Å; L89-L91 HydrophobicContact CD1-CD2 4.19Å; L89-L91 PolarHBondContact O-N 3.34Å; L91-L93 PolarHBondContact O-N 2.8Å; L91-H94 PolarHBondContact O-N 3.24Å; L91-L99 HydrophobicContact CD2-CD1 3.83Å
92S89.3Confident91.9Very high92 Ų9248.4 Ų48.464%0.64326%0.255SS*.G310 helixtrans-68.1-17.1177.1-53.20000114L90 H94L90-S92 PolarHBondContact O-N 2.85Å; L90-S92 VanDerWaalsContact O-N 3.16Å; S92-H94 VanDerWaalsContact C-N 3.27Å
93L89.2Confident92Very high100 Ų10044.7 Ų44.752%0.52424%0.241SC..G310 helixtrans-74.7-19.5176.7-70.4169.3000112.8L90 L91 P95 S131L90-L93 HydrophobicContact CB-CD1 3.71Å; L90-L93 HydrophobicContact CB-CG 4.25Å; L90-L93 HydrophobicContact CD1-CD1 4.03Å; L90-L93 PolarHBondContact O-N 2.99Å; L90-L93 VanDerWaalsContact O-N 3.16Å; L91-L93 PolarHBondContact O-N 2.8Å; L93-P95 VanDerWaalsContact C-CD 3.5Å; L93-P95 WeakPolarHBondContact O-CD 3.39Å; L93-S131 VanDerWaalsContact CD1-CB 3.49Å
94H85.8Confident92Very high59 Ų5943.2 Ų43.227%0.27323%0.234SC..SBendtrans-126.865.9-177.1-59.2-64.1000111P44 A57 L91 S92 S97P44-H94 HydrophobicContact CB-CB 4.49Å; A57-H94 WeakPolarHBondContact CA-O 3.44Å; A57-H94 HydrophobicContact CB-CB 4.28Å; A57-H94 VanDerWaalsContact CB-O 3.29Å; A57-H94 WeakPolarHBondContact CB-O 3.45Å; A57-H94 PolarHBondContact N-O 3.07Å; L91-H94 PolarHBondContact O-N 3.24Å; S92-H94 VanDerWaalsContact C-N 3.27Å; H94-S97 WeakPolarHBondContact O-CB 3.41Å; H94-S97 PolarHBondContact O-OG 2.93Å
95P87.6Confident92Very high57 Ų5743.4 Ų43.437%0.3724%0.236SC..THydrogen-bonded Turntrans-61.6149.9177.928.1-34.9000110.9Y54 L93 S97Y54-P95 WeakPolarHBondContact O-CB 3.21Å; L93-P95 VanDerWaalsContact C-CD 3.5Å; L93-P95 WeakPolarHBondContact O-CD 3.39Å; P95-S97 PolarHBondContact O-N 3.44Å; P95-S97 VanDerWaalsContact O-N 3.15Å; P95-S97 PolarHBondContact O-OG 3.23Å
96R88.9Confident92Very high158 Ų15846.9 Ų46.960%0.59625%0.254SS*.THydrogen-bonded Turntrans56.927.3178.7-51.5177.8-71.5170.70114.3V47 E52 I53V47-R96 WeakPolarHBondContact CG1-O 3.47Å; E52-R96 HydrophobicContact CG-CB 4.14Å; E52-R96 HydrophobicContact CG-CG 4.07Å; E52-R96 WeakPolarHBondContact OE1-CB 3.45Å; E52-R96 WeakPolarHBondContact OE1-CD 3.4Å; E52-R96 WeakPolarHBondContact OE1-CG 3.29Å; I53-R96 PolarHBondContact O-N 2.83Å
97S90.6Very high91.9Very high23 Ų2347 Ų4716%0.16125%0.254CS..EExtended strand (participates in β ladder)trans-115153.4176.8-55.60000110.2A45 A57 T58 H94 P95A45-S97 CarbonylContact O-C 3.57Å; A45-S97 WeakPolarHBondContact O-CA 3.38Å; A57-S97 CarbonylContact C-O 3.45Å; A57-S97 WeakPolarHBondContact CA-O 3.37Å; T58-S97 PolarHBondContact N-O 3.05Å; H94-S97 WeakPolarHBondContact O-CB 3.41Å; H94-S97 PolarHBondContact O-OG 2.93Å; P95-S97 PolarHBondContact O-N 3.44Å; P95-S97 VanDerWaalsContact O-N 3.15Å; P95-S97 PolarHBondContact O-OG 3.23Å
98S91.8Very high91.6Very high18 Ų1847.5 Ų47.513%0.12625%0.248CC..EExtended strand (participates in β ladder)trans-112137.9169.958.20000111.1A45 T58A45-S98 PolarHBondContact N-O 3.38Å; A45-S98 PolarHBondContact O-N 2.79Å; A45-S98 PolarHBondContact O-OG 2.86Å; T58-S98 WeakPolarHBondContact O-CA 3.31Å
99L93.7Very high91.1Very high5 Ų549 Ų493%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-115.6130.5170.8-65.3171.7000108.1Y42 P44 A57 T58 L59 E60 L91 L130Y42-L99 WeakPolarHBondContact O-CA 3.44Å; P44-L99 HydrophobicContact CB-CD2 4.07Å; A57-L99 HydrophobicContact CB-CD1 4.33Å; T58-L99 PolarHBondContact O-N 3.24Å; L59-L99 WeakPolarHBondContact CA-O 3.47Å; L59-L99 HydrophobicContact CD1-CB 3.86Å; E60-L99 PolarHBondContact N-O 3.21Å; L91-L99 HydrophobicContact CD2-CD1 3.83Å; L99-L130 HydrophobicContact CD1-CD1 4.25Å; L99-L130 HydrophobicContact CD1-CD2 4.3Å; L99-L130 HydrophobicContact CD2-CD1 4.02Å; L99-L130 HydrophobicContact CD2-CD2 3.59Å; L99-L130 HydrophobicContact CD2-CG 4.49Å
100T94.9Very high90Very high32 Ų3250.2 Ų50.220%0.19627%0.272CS..EExtended strand (participates in β ladder)trans-120115.6178.8-54.90000109.6V41 Y42 E60 I102V41-T100 WeakPolarHBondContact CA-O 3.34Å; Y42-T100 PolarHBondContact N-O 3.48Å; Y42-T100 PolarHBondContact O-N 2.87Å; E60-T100 HydrophobicContact CB-CG2 4.41Å; E60-T100 CarbonylContact O-C 3.55Å; E60-T100 WeakPolarHBondContact O-CA 3.3Å; T100-I102 HydrophobicContact CG2-CD1 4.37Å; T100-I102 HydrophobicContact CG2-CG1 3.97Å
101L95.8Very high88.9Confident1 Ų146.8 Ų46.81%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-101.3120172.5176.374.6000108.9V41 E60 V61 L62 V81 L103 A121V41-L101 HydrophobicContact CG2-CD1 3.47Å; V41-L101 VanDerWaalsContact CG2-CD1 3.47Å; E60-L101 PolarHBondContact O-N 3.48Å; V61-L101 WeakPolarHBondContact CA-O 3.38Å; V61-L101 HydrophobicContact CG1-CD2 4.04Å; V61-L101 HydrophobicContact CG2-CB 4.28Å; V61-L101 HydrophobicContact CG2-CD2 4.11Å; L62-L101 PolarHBondContact N-O 2.89Å; V81-L101 HydrophobicContact CG1-CD2 3.8Å; L101-L103 HydrophobicContact CD2-CD1 4.22Å; L101-L103 HydrophobicContact CD2-CG 4.47Å; L101-L103 HydrophobicContact CG-CG 4.38Å; L101-A121 HydrophobicContact CD1-CB 4.19Å; L101-A121 HydrophobicContact CD2-CB 3.65Å
102I95.8Very high88.4Confident47 Ų4746.1 Ų46.124%0.24125%0.251CS..EExtended strand (participates in β ladder)trans-112.2122.9176.8-52.2-174.1000108.5A39 G40 Y42 L62 T100A39-I102 CarbonylContact C-O 3.57Å; A39-I102 WeakPolarHBondContact CA-O 3.46Å; G40-I102 PolarHBondContact N-O 2.92Å; G40-I102 PolarHBondContact O-N 2.79Å; Y42-I102 HydrophobicContact CD2-CD1 4.16Å; Y42-I102 HydrophobicContact CD2-CG1 4.4Å; Y42-I102 HydrophobicContact CE2-CD1 3.72Å; Y42-I102 HydrophobicContact CE2-CG1 4.25Å; L62-I102 HydrophobicContact CD1-CG1 4.47Å; T100-I102 HydrophobicContact CG2-CD1 4.37Å; T100-I102 HydrophobicContact CG2-CG1 3.97Å
103L95.6Very high88.3Confident0 Ų042.3 Ų42.30%022%0.223CC..EExtended strand (participates in β ladder)trans-111.7113.8177.2-71.6161.9000108.8V37 M38 A39 V61 L62 V63 H64 V81 L101 C117 A120 A121V37-L103 HydrophobicContact CG1-CB 4.48Å; V37-L103 HydrophobicContact CG1-CD2 3.94Å; M38-L103 CarbonylContact O-C 3.5Å; M38-L103 WeakPolarHBondContact O-CA 3.26Å; A39-L103 HydrophobicContact CB-CD2 3.67Å; V61-L103 HydrophobicContact CG1-CD1 4.29Å; L62-L103 PolarHBondContact O-N 3.2Å; V63-L103 CarbonylContact C-O 3.56Å; V63-L103 WeakPolarHBondContact CA-O 3.4Å; V63-L103 HydrophobicContact CG2-CB 4.11Å; V63-L103 HydrophobicContact CG2-CD1 3.91Å; H64-L103 PolarHBondContact N-O 2.83Å; V81-L103 HydrophobicContact CB-CD1 4.48Å; V81-L103 HydrophobicContact CG1-CD1 3.89Å; V81-L103 HydrophobicContact CG2-CD1 4.21Å; L101-L103 HydrophobicContact CD2-CD1 4.22Å; L101-L103 HydrophobicContact CD2-CG 4.47Å; L101-L103 HydrophobicContact CG-CG 4.38Å; L103-C117 HydrophobicContact CD1-CB 4.09Å; L103-C117 HydrophobicContact CD2-CB 4.47Å; L103-A120 HydrophobicContact CD2-CB 4.22Å; L103-A121 HydrophobicContact CD2-CB 4.37Å
104Q94.6Very high88.4Confident66 Ų6638.2 Ų38.231%0.30820%0.201SC..EExtended strand (participates in β ladder)trans-104.2118.1174.7178.562.154.500109.7M38 H64 P65 L106M38-Q104 HydrophobicContact CB-CB 4.42Å; M38-Q104 PolarHBondContact N-O 3.1Å; M38-Q104 PolarHBondContact O-N 2.93Å; H64-Q104 PolarHBondContact O-NE2 2.87Å; P65-Q104 PolarHBondContact O-NE2 3.06Å; Q104-L106 HydrophobicContact CG-CD2 4.21Å; Q104-L106 PolarHBondContact O-N 3.42Å
105V94.4Very high88.7Confident5 Ų535.4 Ų35.43%0.0319%0.188CC..EExtended strand (participates in β ladder)trans-75.8122.6173.5-1750000108.9V63 H64 K66 D108 L113V63-V105 HydrophobicContact CG1-CG2 4.45Å; H64-V105 WeakPolarHBondContact O-CG2 3.43Å; H64-V105 PolarHBondContact O-N 2.84Å; K66-V105 WeakPolarHBondContact CA-O 3.47Å; V105-D108 HydrophobicContact CG1-CB 4Å; V105-L113 HydrophobicContact CB-CD1 4.31Å; V105-L113 HydrophobicContact CG1-CD1 3.6Å; V105-L113 HydrophobicContact CG2-CD1 3.73Å; V105-L113 HydrophobicContact CG2-CD2 4.29Å; V105-L113 HydrophobicContact CG2-CG 4.45Å
106L92.8Very high88.9Confident73 Ų7332.7 Ų32.738%0.38217%0.171SC..EExtended strand (participates in β ladder)trans-97.1-44.5178.6-61.1179000111S36 M38 K66 Q104S36-L106 WeakPolarHBondContact O-CB 3.41Å; S36-L106 PolarHBondContact O-N 2.72Å; S36-L106 WeakPolarHBondContact OG-CB 3.13Å; M38-L106 HydrophobicContact CB-CD1 4.19Å; M38-L106 HydrophobicContact CB-CG 4.34Å; M38-L106 HydrophobicContact CE-CD1 4.31Å; K66-L106 WeakPolarHBondContact CD-O 3.36Å; K66-L106 VanDerWaalsContact CE-O 3.29Å; K66-L106 WeakPolarHBondContact CE-O 3.1Å; Q104-L106 HydrophobicContact CG-CD2 4.21Å; Q104-L106 PolarHBondContact O-N 3.42Å
107H90.6Very high89.2Confident83 Ų8325.2 Ų25.238%0.38414%0.143SC..EExtended strand (participates in β ladder)trans-140.8136.3175-160.2104.2000109.8D34 T35 S36D34-H107 WeakPolarHBondContact O-CB 3.25Å; D34-H107 PolarHBondContact O-CD2 3.32Å; D34-H107 VanDerWaalsContact O-CG 3.23Å; T35-H107 WeakPolarHBondContact CA-O 3.37Å; S36-H107 PolarHBondContact N-O 2.77Å; S36-H107 PolarHBondContact O-N 2.74Å; S36-H107 VanDerWaalsContact O-N 3.11Å; S36-H107 WeakPolarHBondContact OG-CB 3.27Å; S36-H107 PolarHBondContact OG-N 2.81Å
108D86.7Confident89.4Confident75 Ų7524.1 Ų24.140%0.40114%0.135SC..  trans-125.4114.8-178.2-17516.5000109.8V105 G110V105-D108 HydrophobicContact CG1-CB 4Å; D108-G110 VanDerWaalsContact C-N 3.33Å; D108-G110 WeakPolarHBondContact OD1-CA 3.34Å; D108-G110 PolarHBondContact OD1-N 2.86Å
109D80.9Confident89.5Confident31 Ų3123.2 Ų23.217%0.16613%0.129CC..  trans-96.813.2172.3-170.135.6000111R12 D34 T35 A111 A155R12-D109 IonicContact CZ-OD2 2.81Å; R12-D109 IonicContact NH1-OD2 2.76Å; R12-D109 PolarHBondContact NH1-OD2 3.1Å; R12-D109 IonicContact NH2-OD2 2.74Å; R12-D109 PolarHBondContact NH2-OD2 2.8Å; D34-D109 HydrophobicContact CB-CB 4.12Å; T35-D109 VanDerWaalsContact OG1-CB 3.29Å; T35-D109 WeakPolarHBondContact OG1-CB 3.4Å; T35-D109 PolarHBondContact OG1-N 3.35Å; D109-A111 PolarHBondContact O-N 2.87Å; D109-A111 VanDerWaalsContact O-N 3.15Å; D109-A155 WeakPolarHBondContact O-CB 3.49Å; D109-A155 WeakPolarHBondContact OD1-CB 3.42Å
110G69.1Low89.6Confident37 Ų3723 Ų2338%0.38113%0.128SC..SBendtrans91.8-54.9162.400000115.9D108D108-G110 VanDerWaalsContact C-N 3.33Å; D108-G110 WeakPolarHBondContact OD1-CA 3.34Å; D108-G110 PolarHBondContact OD1-N 2.86Å
111A69.1Low89.6Confident5 Ų521.5 Ų21.54%0.04112%0.119CC..SBendtrans-81.5-32.2-167.100000114D109 P153 L158 L164D109-A111 PolarHBondContact O-N 2.87Å; D109-A111 VanDerWaalsContact O-N 3.15Å; A111-P153 HydrophobicContact CB-CB 4.43Å; A111-P153 HydrophobicContact CB-CG 3.86Å; A111-P153 WeakPolarHBondContact CB-O 3.39Å; A111-L158 HydrophobicContact CB-CB 4.15Å; A111-L158 HydrophobicContact CB-CD1 3.94Å; A111-L158 HydrophobicContact CB-CD2 3.9Å; A111-L158 HydrophobicContact CB-CG 4.21Å; A111-L164 HydrophobicContact CB-CD1 4.32Å
112Q79.4Confident89.6Confident1 Ų121.4 Ų21.41%0.00512%0.118CC..SBendtrans-112.911.3-163.6-61.216512.200113.4L114 S115 C116 D152 P153Q112-L114 VanDerWaalsContact C-N 3.28Å; Q112-L114 PolarHBondContact O-N 2.82Å; Q112-S115 WeakPolarHBondContact CA-OG 3.26Å; Q112-S115 PolarHBondContact O-N 2.78Å; Q112-S115 PolarHBondContact O-OG 3.32Å; Q112-C116 WeakPolarHBondContact O-CB 3.33Å; Q112-C116 PolarHBondContact O-N 2.87Å; Q112-D152 VanDerWaalsContact CD-CG 3.43Å; Q112-D152 PolarHBondContact NE2-O 3.16Å; Q112-D152 PolarHBondContact NE2-OD1 3.11Å; Q112-D152 PolarHBondContact OE1-OD1 2.85Å; Q112-P153 VanDerWaalsContact NE2-C 3.35Å; Q112-P153 PolarHBondContact NE2-O 2.86Å
113L86.8Confident89.5Confident13 Ų1319.2 Ų19.27%0.06811%0.107CC..Hα-helixtrans-56-45.7-174.1-175.563000111.6T35 V37 V105 S115 C116 C117T35-L113 HydrophobicContact CG2-CD1 4.23Å; V37-L113 HydrophobicContact CG2-CD1 3.98Å; V105-L113 HydrophobicContact CB-CD1 4.31Å; V105-L113 HydrophobicContact CG1-CD1 3.6Å; V105-L113 HydrophobicContact CG2-CD1 3.73Å; V105-L113 HydrophobicContact CG2-CD2 4.29Å; V105-L113 HydrophobicContact CG2-CG 4.45Å; L113-S115 PolarHBondContact O-N 2.81Å; L113-C116 PolarHBondContact O-N 2.77Å; L113-C117 WeakPolarHBondContact O-CB 3.34Å; L113-C117 PolarHBondContact O-N 3.11Å; L113-C117 PolarHBondContact O-SG 2.84Å
114L90.8Very high89.5Confident13 Ų1319.2 Ų19.27%0.06811%0.107CC..Hα-helixtrans-65.5-41.4-179-175.762.8000112.3Q77 C80 V81 Q112 C117 L118 T166 M178Q77-L114 HydrophobicContact CB-CD1 4.12Å; Q77-L114 HydrophobicContact CG-CD1 4.21Å; C80-L114 HydrophobicContact CB-CD1 4.15Å; C80-L114 HydrophobicContact CB-CD2 4.46Å; V81-L114 HydrophobicContact CG2-CD1 4.07Å; Q112-L114 VanDerWaalsContact C-N 3.28Å; Q112-L114 PolarHBondContact O-N 2.82Å; L114-C117 PolarHBondContact O-N 2.77Å; L114-L118 WeakPolarHBondContact O-CG 3.07Å; L114-L118 PolarHBondContact O-N 2.67Å; L114-T166 HydrophobicContact CB-CG2 4.18Å; L114-T166 HydrophobicContact CD2-CG2 4.02Å; L114-T166 HydrophobicContact CG-CG2 4.08Å; L114-M178 HydrophobicContact CD2-CE 3.88Å; L114-M178 HydrophobicContact CG-CE 4.29Å
115S92.4Very high89.4Confident0 Ų016.1 Ų16.10%09%0.092CC..Hα-helixtrans-64.9-42.1175.739.20000112Q112 L113 L118 N119 G138 T140Q112-S115 WeakPolarHBondContact CA-OG 3.26Å; Q112-S115 PolarHBondContact O-N 2.78Å; Q112-S115 PolarHBondContact O-OG 3.32Å; L113-S115 PolarHBondContact O-N 2.81Å; S115-L118 PolarHBondContact O-N 3.39Å; S115-N119 WeakPolarHBondContact O-CB 3.44Å; S115-N119 PolarHBondContact O-N 3.15Å; S115-N119 PolarHBondContact O-ND2 2.82Å; S115-G138 VanDerWaalsContact CB-C 3.48Å; S115-G138 WeakPolarHBondContact CB-O 3.37Å; S115-T140 WeakPolarHBondContact CB-OG1 3.38Å; S115-T140 PolarHBondContact OG-OG1 3.25Å
116C93Very high89.3Confident0 Ų017.8 Ų17.80%010%0.101CC..Hα-helixtrans-63.4-43.2176.8-172.40000111.2T35 V37 Q112 L113 L118 N119 A120T35-C116 HydrophobicContact CG2-CB 3.92Å; V37-C116 HydrophobicContact CG2-CB 4.16Å; Q112-C116 WeakPolarHBondContact O-CB 3.33Å; Q112-C116 PolarHBondContact O-N 2.87Å; L113-C116 PolarHBondContact O-N 2.77Å; C116-L118 PolarHBondContact O-N 3.14Å; C116-N119 PolarHBondContact O-N 2.77Å; C116-A120 WeakPolarHBondContact O-CB 3.47Å; C116-A120 PolarHBondContact O-N 2.7Å
117C94.3Very high89.3Confident1 Ų115.5 Ų15.51%0.0079%0.088CC..Hα-helixtrans-59.2-45.2174.3-74.80000112.8V81 L103 L113 L114 N119 A120 A121V81-C117 HydrophobicContact CG2-CB 4.41Å; L103-C117 HydrophobicContact CD1-CB 4.09Å; L103-C117 HydrophobicContact CD2-CB 4.47Å; L113-C117 WeakPolarHBondContact O-CB 3.34Å; L113-C117 PolarHBondContact O-N 3.11Å; L113-C117 PolarHBondContact O-SG 2.84Å; L114-C117 PolarHBondContact O-N 2.77Å; C117-N119 VanDerWaalsContact C-N 3.33Å; C117-N119 PolarHBondContact O-N 2.85Å; C117-A120 PolarHBondContact O-N 2.96Å; C117-A121 VanDerWaalsContact O-CB 3.26Å; C117-A121 WeakPolarHBondContact O-CB 3.26Å; C117-A121 PolarHBondContact O-N 2.77Å
118L94.9Very high89.3Confident0 Ų012.6 Ų12.60%08%0.079CC..Hα-helixtrans-61.8-43.4175.9-72.5168.1000111.3V81 T84 L114 S115 C116 A121 C122 F136 A168 M178V81-L118 HydrophobicContact CB-CD2 4.38Å; V81-L118 HydrophobicContact CG1-CD2 4.46Å; V81-L118 HydrophobicContact CG2-CD2 3.98Å; V81-L118 HydrophobicContact CG2-CG 4.38Å; T84-L118 HydrophobicContact CG2-CD2 3.9Å; L114-L118 WeakPolarHBondContact O-CG 3.07Å; L114-L118 PolarHBondContact O-N 2.67Å; S115-L118 PolarHBondContact O-N 3.39Å; C116-L118 PolarHBondContact O-N 3.14Å; L118-A121 PolarHBondContact O-N 3.07Å; L118-C122 PolarHBondContact O-N 2.82Å; L118-F136 HydrophobicContact CB-CD2 4.43Å; L118-F136 HydrophobicContact CB-CE2 4.21Å; L118-F136 HydrophobicContact CD2-CD2 4.37Å; L118-F136 HydrophobicContact CD2-CE2 4.01Å; L118-F136 VanDerWaalsContact O-CE2 3.24Å; L118-F136 WeakPolarHBondContact O-CE2 3.26Å; L118-A168 HydrophobicContact CD1-CB 3.91Å; L118-M178 HydrophobicContact CD1-CE 3.69Å
119N94.7Very high89.5Confident0 Ų012 Ų120%09%0.09CC..Hα-helixtrans-66.8-42.7-179.4-68.1-21.7000112F30 S115 C116 C117 C122 M123 C137 G138 Y208F30-N119 HydrophobicContact CD1-CB 3.83Å; F30-N119 HydrophobicContact CD2-CB 4.08Å; F30-N119 HydrophobicContact CE1-CB 3.7Å; F30-N119 HydrophobicContact CE2-CB 3.98Å; F30-N119 HydrophobicContact CG-CB 4.02Å; F30-N119 HydrophobicContact CZ-CB 3.79Å; S115-N119 WeakPolarHBondContact O-CB 3.44Å; S115-N119 PolarHBondContact O-N 3.15Å; S115-N119 PolarHBondContact O-ND2 2.82Å; C116-N119 PolarHBondContact O-N 2.77Å; C117-N119 VanDerWaalsContact C-N 3.33Å; C117-N119 PolarHBondContact O-N 2.85Å; N119-C122 PolarHBondContact O-N 3.26Å; N119-M123 WeakPolarHBondContact O-CG 3.21Å; N119-M123 PolarHBondContact O-N 3.4Å; N119-M123 VanDerWaalsContact O-N 3.15Å; N119-C137 VanDerWaalsContact OD1-CA 3.29Å; N119-C137 WeakPolarHBondContact OD1-CA 3.32Å; N119-C137 WeakPolarHBondContact OD1-CB 3.44Å; N119-G138 PolarHBondContact ND2-O 3.21Å; N119-G138 VanDerWaalsContact ND2-O 3.11Å; N119-G138 PolarHBondContact OD1-N 2.97Å; N119-Y208 WeakPolarHBondContact CA-OH 3.19Å; N119-Y208 WeakPolarHBondContact CB-OH 3.29Å; N119-Y208 PolarHBondContact OD1-OH 2.81Å
120A95.4Very high90Very high0 Ų011.1 Ų11.10%09%0.086CC..Hα-helixtrans-62.1-43.9173.700000111.5F30 V37 A39 L103 C116 C117 M123 A124F30-A120 HydrophobicContact CB-CB 3.75Å; V37-A120 HydrophobicContact CB-CB 4.29Å; V37-A120 HydrophobicContact CG1-CB 4.1Å; A39-A120 HydrophobicContact CB-CB 3.9Å; A39-A120 WeakPolarHBondContact CB-O 3.35Å; L103-A120 HydrophobicContact CD2-CB 4.22Å; C116-A120 WeakPolarHBondContact O-CB 3.47Å; C116-A120 PolarHBondContact O-N 2.7Å; C117-A120 PolarHBondContact O-N 2.96Å; A120-M123 PolarHBondContact O-N 3.11Å; A120-A124 WeakPolarHBondContact O-CB 3.43Å; A120-A124 PolarHBondContact O-N 3.17Å
121A95.6Very high91Very high0 Ų011.7 Ų11.70%08%0.084CC..Hα-helixtrans-59.6-50176.800000111.7V81 L101 L103 C117 L118 M123 A124 L125 F136V81-A121 HydrophobicContact CG1-CB 4.32Å; L101-A121 HydrophobicContact CD1-CB 4.19Å; L101-A121 HydrophobicContact CD2-CB 3.65Å; L103-A121 HydrophobicContact CD2-CB 4.37Å; C117-A121 VanDerWaalsContact O-CB 3.26Å; C117-A121 WeakPolarHBondContact O-CB 3.26Å; C117-A121 PolarHBondContact O-N 2.77Å; L118-A121 PolarHBondContact O-N 3.07Å; A121-M123 VanDerWaalsContact C-N 3.28Å; A121-M123 PolarHBondContact O-N 3.41Å; A121-A124 PolarHBondContact O-N 2.92Å; A121-L125 WeakPolarHBondContact O-CB 3.45Å; A121-L125 WeakPolarHBondContact O-CG 3.26Å; A121-L125 PolarHBondContact O-N 3.27Å; A121-F136 HydrophobicContact CB-CZ 4.38Å
122C94.9Very high92.1Very high0 Ų013.2 Ų13.20%09%0.09CC..Hα-helixtrans-59.1-40.5179.3-171.80000112L118 N119 M126 F136 Y208L118-C122 PolarHBondContact O-N 2.82Å; N119-C122 PolarHBondContact O-N 3.26Å; C122-M126 PolarHBondContact O-N 2.86Å; C122-F136 HydrophobicContact CB-CD1 4.35Å; C122-F136 HydrophobicContact CB-CD2 4.18Å; C122-F136 HydrophobicContact CB-CE1 4.03Å; C122-F136 HydrophobicContact CB-CE2 3.86Å; C122-F136 HydrophobicContact CB-CG 4.42Å; C122-F136 HydrophobicContact CB-CZ 3.78Å; C122-F136 WeakPolarHBondContact CB-O 3.45Å; C122-F136 PolarHBondContact SG-O 3.45Å; C122-F136 VanDerWaalsContact SG-O 3.32Å; C122-Y208 HydrophobicContact CB-CE2 4.23Å
123M93.8Very high92.7Very high0 Ų016.1 Ų16.10%011%0.111CC..Hα-helixtrans-69.6-38.6178.3-69.3-66.1-87.500112.4C16 Q18 A28 N119 A120 A121 M126 D127 Y208C16-M123 HydrophobicContact CB-CE 3.98Å; C16-M123 WeakPolarHBondContact SG-CE 3.24Å; Q18-M123 HydrophobicContact CG-CE 4.41Å; A28-M123 HydrophobicContact CB-CB 3.61Å; N119-M123 WeakPolarHBondContact O-CG 3.21Å; N119-M123 PolarHBondContact O-N 3.4Å; N119-M123 VanDerWaalsContact O-N 3.15Å; A120-M123 PolarHBondContact O-N 3.11Å; A121-M123 VanDerWaalsContact C-N 3.28Å; A121-M123 PolarHBondContact O-N 3.41Å; M123-M126 HydrophobicContact CG-CE 4.47Å; M123-M126 PolarHBondContact O-N 3.47Å; M123-M126 HydrophobicContact SD-CE 3.41Å; M123-M126 WeakPolarHBondContact SD-CE 3.49Å; M123-D127 PolarHBondContact O-N 3.26Å; M123-Y208 HydrophobicContact CE-CD1 4.17Å; M123-Y208 HydrophobicContact CG-CD1 4.08Å; M123-Y208 HydrophobicContact CG-CE1 3.84Å; M123-Y208 HydrophobicContact SD-CD1 3.47Å; M123-Y208 WeakPolarHBondContact SD-CD1 3.42Å; M123-Y208 HydrophobicContact SD-CD2 4.27Å; M123-Y208 HydrophobicContact SD-CE1 3.87Å; M123-Y208 HydrophobicContact SD-CG 3.69Å
124A94.8Very high92.9Very high0 Ų016.5 Ų16.50%011%0.114CC..Hα-helixtrans-70.9-36.8176.800000112.5A28 A39 V41 A120 A121 M126 D127 A128A28-A124 HydrophobicContact CB-CB 3.93Å; A39-A124 HydrophobicContact CB-CB 3.59Å; V41-A124 HydrophobicContact CG2-CB 3.7Å; A120-A124 WeakPolarHBondContact O-CB 3.43Å; A120-A124 PolarHBondContact O-N 3.17Å; A121-A124 PolarHBondContact O-N 2.92Å; A124-M126 VanDerWaalsContact C-N 3.34Å; A124-D127 PolarHBondContact O-N 3.45Å; A124-A128 WeakPolarHBondContact O-CB 3.27Å; A124-A128 PolarHBondContact O-N 3.06Å
125L93.8Very high93.1Very high1 Ų117.6 Ų17.61%0.00512%0.12CC..Hα-helixtrans-65.3-38.2173.6-66.8170.8000111.4V41 C85 L89 A121 G129 L130 M132 F136V41-L125 HydrophobicContact CG1-CD2 4.2Å; V41-L125 HydrophobicContact CG2-CD2 3.88Å; V41-L125 HydrophobicContact CG2-CG 4.32Å; C85-L125 HydrophobicContact CB-CD1 4.44Å; L89-L125 HydrophobicContact CD1-CD1 4.22Å; L89-L125 HydrophobicContact CD1-CD2 4.17Å; L89-L125 HydrophobicContact CD2-CD1 4.39Å; L89-L125 HydrophobicContact CD2-CD2 4.32Å; L89-L125 HydrophobicContact CG-CD1 4.41Å; A121-L125 WeakPolarHBondContact O-CB 3.45Å; A121-L125 WeakPolarHBondContact O-CG 3.26Å; A121-L125 PolarHBondContact O-N 3.27Å; L125-G129 PolarHBondContact O-N 3.15Å; L125-L130 HydrophobicContact CD2-CD1 3.49Å; L125-L130 VanDerWaalsContact CD2-CD1 3.49Å; L125-L130 PolarHBondContact O-N 3.23Å; L125-M132 HydrophobicContact CB-CE 4.19Å; L125-M132 HydrophobicContact CB-SD 3.76Å; L125-M132 HydrophobicContact CD1-SD 4.32Å; L125-F136 HydrophobicContact CD1-CE1 4.14Å; L125-F136 HydrophobicContact CD1-CZ 4.18Å
126M92.3Very high93.2Very high41 Ų4117.6 Ų17.620%0.20212%0.12CC..Hα-helixtrans-63.5-42.8171.5-96.5-170.4-73.900112C122 M123 A124 G129 M132 L135 Y208 V212C122-M126 PolarHBondContact O-N 2.86Å; M123-M126 HydrophobicContact CG-CE 4.47Å; M123-M126 PolarHBondContact O-N 3.47Å; M123-M126 HydrophobicContact SD-CE 3.41Å; M123-M126 WeakPolarHBondContact SD-CE 3.49Å; A124-M126 VanDerWaalsContact C-N 3.34Å; M126-G129 PolarHBondContact O-N 3.12Å; M126-M132 HydrophobicContact CB-CE 4.18Å; M126-M132 HydrophobicContact CG-CE 3.51Å; M126-L135 HydrophobicContact CE-CD1 4.08Å; M126-L135 HydrophobicContact CE-CD2 3.84Å; M126-L135 HydrophobicContact CG-CD2 3.69Å; M126-L135 HydrophobicContact SD-CD1 3.87Å; M126-L135 HydrophobicContact SD-CD2 3.56Å; M126-L135 VanDerWaalsContact SD-CD2 3.56Å; M126-L135 HydrophobicContact SD-CG 4.38Å; M126-Y208 HydrophobicContact CE-CD2 3.97Å; M126-Y208 HydrophobicContact CE-CG 4.25Å; M126-V212 HydrophobicContact SD-CG2 4.11Å
127D92Very high93.2Very high24 Ų2417.6 Ų17.613%0.12812%0.12CC..Hα-helixtrans-63.6-42.7177.9-175.434.7000111.9T19 G26 S27 M123 A124 G129 R215T19-D127 PolarHBondContact N-OD2 2.86Å; T19-D127 VanDerWaalsContact OG1-CG 3.25Å; T19-D127 PolarHBondContact OG1-OD1 2.87Å; T19-D127 PolarHBondContact OG1-OD2 2.84Å; G26-D127 WeakPolarHBondContact CA-OD2 3.26Å; S27-D127 PolarHBondContact N-OD2 2.97Å; M123-D127 PolarHBondContact O-N 3.26Å; A124-D127 PolarHBondContact O-N 3.45Å; D127-G129 PolarHBondContact O-N 3.22Å; D127-G129 VanDerWaalsContact O-N 3.08Å; D127-R215 IonicContact OD1-CZ 2.91Å; D127-R215 IonicContact OD1-NH1 3.44Å; D127-R215 PolarHBondContact OD1-NH1 2.81Å; D127-R215 IonicContact OD1-NH2 3.09Å; D127-R215 PolarHBondContact OD1-NH2 3.41Å
128A91.5Very high93.2Very high22 Ų2217.5 Ų17.518%0.18212%0.12CC..THydrogen-bonded Turntrans-65.4-9.3176.500000113.7V41 A124 L130V41-A128 HydrophobicContact CB-CB 4.02Å; V41-A128 HydrophobicContact CG1-CB 3.69Å; A124-A128 WeakPolarHBondContact O-CB 3.27Å; A124-A128 PolarHBondContact O-N 3.06Å; A128-L130 VanDerWaalsContact C-N 3.26Å; A128-L130 HydrophobicContact CB-CD1 4.26Å; A128-L130 HydrophobicContact CB-CG 4.05Å; A128-L130 PolarHBondContact O-N 3.4Å
129G89.3Confident93Very high62 Ų6217.6 Ų17.664%0.63912%0.12SC*.THydrogen-bonded Turntrans68.324.7-17900000113.6L125 M126 D127L125-G129 PolarHBondContact O-N 3.15Å; M126-G129 PolarHBondContact O-N 3.12Å; D127-G129 PolarHBondContact O-N 3.22Å; D127-G129 VanDerWaalsContact O-N 3.08Å
130L91.4Very high92.9Very high14 Ų1417.6 Ų17.67%0.07312%0.12CC..  trans-71.2142.9179.1-69.2172.4000111.2V41 L89 L99 L125 A128 M132V41-L130 HydrophobicContact CG1-CD1 3.68Å; L89-L130 HydrophobicContact CD2-CB 3.94Å; L89-L130 HydrophobicContact CD2-CD1 4.4Å; L99-L130 HydrophobicContact CD1-CD1 4.25Å; L99-L130 HydrophobicContact CD1-CD2 4.3Å; L99-L130 HydrophobicContact CD2-CD1 4.02Å; L99-L130 HydrophobicContact CD2-CD2 3.59Å; L99-L130 HydrophobicContact CD2-CG 4.49Å; L125-L130 HydrophobicContact CD2-CD1 3.49Å; L125-L130 VanDerWaalsContact CD2-CD1 3.49Å; L125-L130 PolarHBondContact O-N 3.23Å; A128-L130 VanDerWaalsContact C-N 3.26Å; A128-L130 HydrophobicContact CB-CD1 4.26Å; A128-L130 HydrophobicContact CB-CG 4.05Å; A128-L130 PolarHBondContact O-N 3.4Å; L130-M132 PolarHBondContact O-N 2.85Å; L130-M132 VanDerWaalsContact O-N 3.11Å
131S91Very high92.7Very high48 Ų4817.6 Ų17.634%0.33612%0.12SC..  trans-70.4108.8180-66.60000110.6L90 L93L90-S131 PolarHBondContact N-O 2.95Å; L93-S131 VanDerWaalsContact CD1-CB 3.49Å
132M92Very high92.4Very high38 Ų3817.6 Ų17.619%0.18712%0.12CC..BIsolated β-bridgetrans-113.4136.9177.2-70.3178.2-69.100110.7L89 L125 M126 L130 C134 L135L89-M132 HydrophobicContact CD2-CG 3.49Å; L89-M132 VanDerWaalsContact CD2-CG 3.49Å; L89-M132 HydrophobicContact CD2-SD 4.34Å; L89-M132 HydrophobicContact CG-CG 4.3Å; L125-M132 HydrophobicContact CB-CE 4.19Å; L125-M132 HydrophobicContact CB-SD 3.76Å; L125-M132 HydrophobicContact CD1-SD 4.32Å; M126-M132 HydrophobicContact CB-CE 4.18Å; M126-M132 HydrophobicContact CG-CE 3.51Å; L130-M132 PolarHBondContact O-N 2.85Å; L130-M132 VanDerWaalsContact O-N 3.11Å; M132-C134 VanDerWaalsContact C-N 3.3Å; M132-L135 HydrophobicContact CE-CD2 3.98Å
133S91.9Very high92.1Very high62 Ų6217.6 Ų17.643%0.43412%0.12SC..SBendtrans-71.2-30.8173.764.70000111.9S88S88-S133 PolarHBondContact O-N 3.45Å; S88-S133 PolarHBondContact O-OG 3.23Å
134C92.3Very high91.8Very high20 Ų2018.5 Ų18.514%0.13513%0.126CC..SBendtrans-157.8164.3177.563.10000111.9M132 D170 K172M132-C134 VanDerWaalsContact C-N 3.3Å; C134-D170 WeakPolarHBondContact CB-OD1 3.45Å; C134-D170 PolarHBondContact SG-OD1 3.2Å; C134-K172 HydrophobicContact CB-CB 4.34Å
135L93.5Very high91.2Very high36 Ų3622.1 Ų22.119%0.18816%0.156CC..  trans-89.1151.4168.9-56.9-179.8000109.4M126 M132 S171 F205M126-L135 HydrophobicContact CE-CD1 4.08Å; M126-L135 HydrophobicContact CE-CD2 3.84Å; M126-L135 HydrophobicContact CG-CD2 3.69Å; M126-L135 HydrophobicContact SD-CD1 3.87Å; M126-L135 HydrophobicContact SD-CD2 3.56Å; M126-L135 VanDerWaalsContact SD-CD2 3.56Å; M126-L135 HydrophobicContact SD-CG 4.38Å; M132-L135 HydrophobicContact CE-CD2 3.98Å; L135-S171 VanDerWaalsContact O-CB 3.27Å; L135-S171 WeakPolarHBondContact O-CB 3.47Å; L135-S171 PolarHBondContact O-N 2.93Å; L135-F205 HydrophobicContact CB-CD1 4.46Å; L135-F205 HydrophobicContact CB-CE1 4.16Å
136F95Very high90.6Very high0 Ų029 Ų290%019%0.193CC..EExtended strand (participates in β ladder)trans-127.9153.1174.660.9-88.5000110.6T84 S88 L118 A121 C122 L125 I169 M177T84-F136 HydrophobicContact CG2-CB 4.33Å; T84-F136 HydrophobicContact CG2-CD2 3.67Å; T84-F136 HydrophobicContact CG2-CE2 4.06Å; T84-F136 HydrophobicContact CG2-CG 3.92Å; S88-F136 VanDerWaalsContact OG-CD1 3.24Å; S88-F136 WeakPolarHBondContact OG-CD1 3.21Å; S88-F136 WeakPolarHBondContact OG-CE1 3.24Å; L118-F136 HydrophobicContact CB-CD2 4.43Å; L118-F136 HydrophobicContact CB-CE2 4.21Å; L118-F136 HydrophobicContact CD2-CD2 4.37Å; L118-F136 HydrophobicContact CD2-CE2 4.01Å; L118-F136 VanDerWaalsContact O-CE2 3.24Å; L118-F136 WeakPolarHBondContact O-CE2 3.26Å; A121-F136 HydrophobicContact CB-CZ 4.38Å; C122-F136 HydrophobicContact CB-CD1 4.35Å; C122-F136 HydrophobicContact CB-CD2 4.18Å; C122-F136 HydrophobicContact CB-CE1 4.03Å; C122-F136 HydrophobicContact CB-CE2 3.86Å; C122-F136 HydrophobicContact CB-CG 4.42Å; C122-F136 HydrophobicContact CB-CZ 3.78Å; C122-F136 WeakPolarHBondContact CB-O 3.45Å; C122-F136 PolarHBondContact SG-O 3.45Å; C122-F136 VanDerWaalsContact SG-O 3.32Å; L125-F136 HydrophobicContact CD1-CE1 4.14Å; L125-F136 HydrophobicContact CD1-CZ 4.18Å; F136-I169 CarbonylContact C-O 3.57Å; F136-I169 WeakPolarHBondContact CA-O 3.49Å; F136-M177 HydrophobicContact CB-SD 3.97Å
137C93.8Very high90Very high0 Ų028.4 Ų28.40%020%0.198CC..EExtended strand (participates in β ladder)trans-135.2145.117168.50000111N119 A168 I169 S201 I204 F205 Y208N119-C137 VanDerWaalsContact OD1-CA 3.29Å; N119-C137 WeakPolarHBondContact OD1-CA 3.32Å; N119-C137 WeakPolarHBondContact OD1-CB 3.44Å; C137-A168 CarbonylContact O-C 3.54Å; C137-A168 WeakPolarHBondContact O-CA 3.25Å; C137-I169 PolarHBondContact N-O 2.96Å; C137-I169 PolarHBondContact O-N 3.28Å; C137-S201 WeakPolarHBondContact SG-CB 3.47Å; C137-I204 HydrophobicContact CB-CB 4.3Å; C137-I204 HydrophobicContact CB-CG2 3.81Å; C137-F205 HydrophobicContact CB-CE1 3.89Å; C137-F205 HydrophobicContact CB-CZ 4Å; C137-F205 WeakPolarHBondContact SG-CZ 3.29Å; C137-Y208 HydrophobicContact CB-CE2 4.35Å
138G92.9Very high89.7Confident0 Ų033.4 Ų33.40%022%0.22CC..EExtended strand (participates in β ladder)trans-91.4130170.800000111.1S115 N119 F167S115-G138 VanDerWaalsContact CB-C 3.48Å; S115-G138 WeakPolarHBondContact CB-O 3.37Å; N119-G138 PolarHBondContact ND2-O 3.21Å; N119-G138 VanDerWaalsContact ND2-O 3.11Å; N119-G138 PolarHBondContact OD1-N 2.97Å; G138-F167 CarbonylContact C-O 3.58Å; G138-F167 WeakPolarHBondContact CA-O 3.34Å
139V92.3Very high89.4Confident2 Ų233.3 Ų33.31%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-125.6133.9169.5-177.80000108.6T166 F167 A200 I204V139-T166 WeakPolarHBondContact O-CA 3.44Å; V139-F167 PolarHBondContact N-O 3.27Å; V139-F167 PolarHBondContact O-N 3.18Å; V139-A200 HydrophobicContact CG1-CB 3.93Å; V139-A200 HydrophobicContact CG2-CB 4.23Å; V139-I204 HydrophobicContact CG2-CD1 3.75Å
140T91.8Very high89.3Confident0 Ų033.3 Ų33.30%020%0.201CC..EExtended strand (participates in β ladder)trans-107.7134.7174.5-61.70000110.4S115 D152 P153 L164 M165 T166S115-T140 WeakPolarHBondContact CB-OG1 3.38Å; S115-T140 PolarHBondContact OG-OG1 3.25Å; T140-D152 PolarHBondContact O-N 3.48Å; T140-P153 HydrophobicContact CG2-CG 4.17Å; T140-L164 HydrophobicContact CG2-CD1 3.38Å; T140-L164 HydrophobicContact CG2-CG 4.14Å; T140-M165 CarbonylContact C-O 3.55Å; T140-M165 WeakPolarHBondContact CA-O 3.34Å; T140-T166 WeakPolarHBondContact OG1-CG2 3.46Å; T140-T166 PolarHBondContact OG1-OG1 3.49Å
141C90.8Very high89Confident0 Ų033 Ų330%020%0.2CC..EExtended strand (participates in β ladder)trans-122.9139.4175.8-59.30000109I149 I150 M165C141-I149 HydrophobicContact CB-CG2 4.39Å; C141-I150 CarbonylContact C-O 3.55Å; C141-I150 VanDerWaalsContact CA-O 3.31Å; C141-I150 WeakPolarHBondContact CA-O 3.42Å; C141-M165 PolarHBondContact N-O 3.19Å; C141-M165 PolarHBondContact O-N 3.48Å
142A90.1Very high88.7Confident0 Ų031.1 Ų31.10%019%0.186CC..EExtended strand (participates in β ladder)trans-111.6151.3167.300000110.2I150 P153 A163 L164A142-I150 PolarHBondContact N-O 3.4Å; A142-I150 PolarHBondContact O-N 3.29Å; A142-P153 HydrophobicContact CB-CB 3.62Å; A142-P153 HydrophobicContact CB-CG 3.71Å; A142-A163 CarbonylContact C-O 3.59Å; A142-A163 VanDerWaalsContact CA-O 3.3Å; A142-A163 WeakPolarHBondContact CA-O 3.45Å; A142-L164 HydrophobicContact CB-CD1 4.47Å
143I88.8Confident88.3Confident0 Ų029.3 Ų29.30%018%0.177CC..EExtended strand (participates in β ladder)trans-107.9117.2170.9-60.8166.1000106.9S161 R162 A163 M165 F185 E189I143-S161 CarbonylContact O-C 3.57Å; I143-S161 WeakPolarHBondContact O-CA 3.44Å; I143-S161 WeakPolarHBondContact O-CB 3.38Å; I143-R162 PolarHBondContact O-N 3.36Å; I143-A163 HydrophobicContact CB-CB 4.37Å; I143-A163 HydrophobicContact CD1-CB 4.22Å; I143-A163 PolarHBondContact N-O 3.11Å; I143-M165 HydrophobicContact CD1-SD 3.83Å; I143-F185 HydrophobicContact CD1-CB 3.7Å; I143-E189 HydrophobicContact CD1-CB 3.86Å
144S86.3Confident87.8Confident19 Ų1929 Ų2913%0.13317%0.172CC..EExtended strand (participates in β ladder)trans-64163.7174.9-171.10000111.3D146 G147 E148S144-D146 PolarHBondContact O-N 2.87Å; S144-G147 PolarHBondContact O-N 3.03Å; S144-E148 PolarHBondContact N-O 3.19Å
145A83.2Confident87.1Confident75 Ų7529.7 Ų29.762%0.6218%0.18SC*.THydrogen-bonded Turntrans-56.3-32.6173.200000112.4G147A145-G147 VanDerWaalsContact C-N 3.26Å; A145-G147 PolarHBondContact O-N 3.48Å
146D80.8Confident86.4Confident145 Ų14533.9 Ų33.978%0.77520%0.203SC*.THydrogen-bonded Turntrans-81.70.6179.8-57.8-48.1000113.9S144 E148S144-D146 PolarHBondContact O-N 2.87Å; D146-E148 VanDerWaalsContact C-N 3.35Å
147G80.5Confident85.5Confident30 Ų3035 Ų3531%0.30921%0.21SC..SBendtrans83.26.8-178.800000114.6S144 A145S144-G147 PolarHBondContact O-N 3.03Å; A145-G147 VanDerWaalsContact C-N 3.26Å; A145-G147 PolarHBondContact O-N 3.48Å
148E84.9Confident84.7Confident129 Ų12937.3 Ų37.360%0.60322%0.222SC*.  trans-74.6136.3172.3-65.5-163.6155.600111.6S144 D146S144-E148 PolarHBondContact N-O 3.19Å; D146-E148 VanDerWaalsContact C-N 3.35Å
149I85.4Confident84Confident20 Ų2045.8 Ų45.810%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-93.4115.9179.4-58.8169.1000108.8C141 Q192 V196C141-I149 HydrophobicContact CB-CG2 4.39Å; I149-Q192 HydrophobicContact CD1-CB 3.36Å; I149-Q192 HydrophobicContact CD1-CG 4.46Å; I149-V196 HydrophobicContact CG2-CG1 4.36Å
150I86.8Confident83.5Confident61 Ų6152.7 Ų52.731%0.31329%0.294SS..EExtended strand (participates in β ladder)trans-102.6118.9178.5-58.1172.1000107.9C141 A142C141-I150 CarbonylContact C-O 3.55Å; C141-I150 VanDerWaalsContact CA-O 3.31Å; C141-I150 WeakPolarHBondContact CA-O 3.42Å; A142-I150 PolarHBondContact N-O 3.4Å; A142-I150 PolarHBondContact O-N 3.29Å
151T85.6Confident83.1Confident8 Ų853.7 Ų53.75%0.04930%0.301CS..EExtended strand (participates in β ladder)trans-78.7137.116751.70000109.5T8 S10 V196T8-T151 PolarHBondContact O-OG1 3.14Å; S10-T151 PolarHBondContact N-OG1 3.3Å; S10-T151 VanDerWaalsContact N-OG1 3.11Å; S10-T151 PolarHBondContact O-OG1 3.3Å; T151-V196 HydrophobicContact CG2-CG1 3.14Å
152D83.9Confident82.9Confident8 Ų857.9 Ų57.94%0.04332%0.317CS..SBendtrans6060.7176.2-146.942.2000114.4L11 R12 Q32 Q112 T140L11-D152 HydrophobicContact CD2-CB 3.89Å; R12-D152 WeakPolarHBondContact CB-OD2 3.34Å; R12-D152 WeakPolarHBondContact CG-OD2 3.41Å; R12-D152 PolarHBondContact N-OD2 3.05Å; R12-D152 IonicContact NE-OD2 3.76Å; R12-D152 PolarHBondContact NE-OD2 2.99Å; Q32-D152 PolarHBondContact NE2-OD1 3.42Å; Q32-D152 PolarHBondContact NE2-OD2 3.04Å; Q32-D152 VanDerWaalsContact NE2-OD2 3.15Å; Q112-D152 VanDerWaalsContact CD-CG 3.43Å; Q112-D152 PolarHBondContact NE2-O 3.16Å; Q112-D152 PolarHBondContact NE2-OD1 3.11Å; Q112-D152 PolarHBondContact OE1-OD1 2.85Å; T140-D152 PolarHBondContact O-N 3.48Å
153P83.4Confident82.9Confident1 Ų158 Ų581%0.00632%0.318CS..  trans-66.6136.8-176.729.3-37.5000113.2A111 Q112 T140 A142 S157 L164A111-P153 HydrophobicContact CB-CB 4.43Å; A111-P153 HydrophobicContact CB-CG 3.86Å; A111-P153 WeakPolarHBondContact CB-O 3.39Å; Q112-P153 VanDerWaalsContact NE2-C 3.35Å; Q112-P153 PolarHBondContact NE2-O 2.86Å; T140-P153 HydrophobicContact CG2-CG 4.17Å; A142-P153 HydrophobicContact CB-CB 3.62Å; A142-P153 HydrophobicContact CB-CG 3.71Å; P153-S157 WeakPolarHBondContact CA-OG 3.29Å; P153-S157 WeakPolarHBondContact CB-OG 3.27Å; P153-L164 HydrophobicContact CG-CD1 3.99Å
154T81.5Confident82.9Confident54 Ų5459.2 Ų59.233%0.33133%0.325SS..  trans-76.3163.4169.659.10000111.7N156 S157 L158T154-N156 PolarHBondContact O-N 2.75Å; T154-N156 VanDerWaalsContact O-N 3.17Å; T154-S157 PolarHBondContact N-OG 2.94Å; T154-S157 PolarHBondContact O-N 3.28Å; T154-S157 VanDerWaalsContact O-N 3.11Å; T154-S157 PolarHBondContact O-OG 2.88Å; T154-S157 PolarHBondContact OG1-N 3.04Å; T154-S157 PolarHBondContact OG1-OG 3.21Å; T154-L158 PolarHBondContact O-N 3.31Å
155A78.9Confident83.2Confident35 Ų3558.3 Ų58.329%0.28932%0.318SS..Hα-helixtrans-50.6-39.9175.800000113.5D109 L158 Q159D109-A155 WeakPolarHBondContact O-CB 3.49Å; D109-A155 WeakPolarHBondContact OD1-CB 3.42Å; A155-L158 WeakPolarHBondContact O-CB 3.41Å; A155-L158 PolarHBondContact O-N 3.5Å; A155-Q159 PolarHBondContact O-N 3.4Å
156N78.3Confident83.6Confident125 Ų12555 Ų5567%0.66829%0.29SS*.Hα-helixtrans-66.7-49.3178.7-65.4-10.4000111.3T154 L158 Q159T154-N156 PolarHBondContact O-N 2.75Å; T154-N156 VanDerWaalsContact O-N 3.17Å; N156-L158 PolarHBondContact O-N 3.23Å; N156-Q159 PolarHBondContact O-N 2.89Å; N156-Q159 VanDerWaalsContact O-N 3.15Å
157S74.8Confident84.2Confident22 Ų2248.2 Ų48.215%0.15425%0.254CS..Hα-helixtrans-65.1-25.9178.466.70000112.9P153 T154 E160 S161P153-S157 WeakPolarHBondContact CA-OG 3.29Å; P153-S157 WeakPolarHBondContact CB-OG 3.27Å; T154-S157 PolarHBondContact N-OG 2.94Å; T154-S157 PolarHBondContact O-N 3.28Å; T154-S157 VanDerWaalsContact O-N 3.11Å; T154-S157 PolarHBondContact O-OG 2.88Å; T154-S157 PolarHBondContact OG1-N 3.04Å; T154-S157 PolarHBondContact OG1-OG 3.21Å; S157-E160 PolarHBondContact O-N 3.48Å; S157-S161 WeakPolarHBondContact O-CB 3.29Å; S157-S161 PolarHBondContact O-N 3.48Å
158L77.6Confident84.9Confident50 Ų5046.8 Ų46.826%0.26224%0.239SC..Hα-helixtrans-65.4-40175.1-177.971.7000111.4A111 T154 A155 N156 E160 S161 L164A111-L158 HydrophobicContact CB-CB 4.15Å; A111-L158 HydrophobicContact CB-CD1 3.94Å; A111-L158 HydrophobicContact CB-CD2 3.9Å; A111-L158 HydrophobicContact CB-CG 4.21Å; T154-L158 PolarHBondContact O-N 3.31Å; A155-L158 WeakPolarHBondContact O-CB 3.41Å; A155-L158 PolarHBondContact O-N 3.5Å; N156-L158 PolarHBondContact O-N 3.23Å; L158-E160 VanDerWaalsContact C-N 3.25Å; L158-E160 PolarHBondContact O-N 2.98Å; L158-S161 WeakPolarHBondContact CA-OG 3.44Å; L158-S161 PolarHBondContact O-N 3.35Å; L158-S161 VanDerWaalsContact O-N 3.14Å; L158-S161 PolarHBondContact O-OG 3.35Å; L158-L164 HydrophobicContact CD1-CB 4.12Å; L158-L164 HydrophobicContact CD1-CD1 3.65Å; L158-L164 HydrophobicContact CD1-CD2 3.9Å; L158-L164 HydrophobicContact CD1-CG 4.09Å
159Q79.3Confident85.4Confident177 Ų17740.6 Ų40.683%0.82721%0.21SC*.Hα-helixtrans-66.4-31.6-179-171.1174.2-16.900112.2A155 N156A155-Q159 PolarHBondContact O-N 3.4Å; N156-Q159 PolarHBondContact O-N 2.89Å; N156-Q159 VanDerWaalsContact O-N 3.15Å
160E80.7Confident85.8Confident147 Ų14740.3 Ų40.369%0.68721%0.209SC*.Hα-helixtrans-85.7-11.6176.7-62.3177.9167.800112.6S157 L158S157-E160 PolarHBondContact O-N 3.48Å; L158-E160 VanDerWaalsContact C-N 3.25Å; L158-E160 PolarHBondContact O-N 2.98Å
161S82.9Confident86Confident22 Ų2238.8 Ų38.815%0.15420%0.204CC..EExtended strand (participates in β ladder)trans-80.7142.7-177.474.40000112.9I143 S157 L158I143-S161 CarbonylContact O-C 3.57Å; I143-S161 WeakPolarHBondContact O-CA 3.44Å; I143-S161 WeakPolarHBondContact O-CB 3.38Å; S157-S161 WeakPolarHBondContact O-CB 3.29Å; S157-S161 PolarHBondContact O-N 3.48Å; L158-S161 WeakPolarHBondContact CA-OG 3.44Å; L158-S161 PolarHBondContact O-N 3.35Å; L158-S161 VanDerWaalsContact O-N 3.14Å; L158-S161 PolarHBondContact O-OG 3.35Å
162R88.2Confident86.1Confident87 Ų8746.3 Ų46.333%0.32824%0.236SC..EExtended strand (participates in β ladder)trans-82.4-31.1176.7-176.5178.868.2108.6-5.2112.5I143 G183 S184 E189I143-R162 PolarHBondContact O-N 3.36Å; R162-G183 WeakPolarHBondContact O-CA 3.45Å; R162-S184 WeakPolarHBondContact CD-OG 3.33Å; R162-S184 VanDerWaalsContact CG-OG 3.26Å; R162-S184 WeakPolarHBondContact CG-OG 2.92Å; R162-S184 PolarHBondContact NE-O 3.27Å; R162-S184 PolarHBondContact NH1-O 2.87Å; R162-S184 PolarHBondContact NH1-OG 3.02Å; R162-S184 PolarHBondContact NH2-O 2.85Å; R162-S184 PolarHBondContact O-N 2.93Å; R162-E189 IonicContact CZ-OE2 2.6Å; R162-E189 IonicContact NH2-OE1 2.76Å; R162-E189 PolarHBondContact NH2-OE1 2.92Å; R162-E189 IonicContact NH2-OE2 3.64Å; R162-E189 PolarHBondContact NH2-OE2 3.15Å
163A88.6Confident86.1Confident3 Ų350.8 Ų50.83%0.02526%0.256CS..EExtended strand (participates in β ladder)trans-147.2148.3-179.700000112.4A142 I143 K182 S184 F185A142-A163 CarbonylContact C-O 3.59Å; A142-A163 VanDerWaalsContact CA-O 3.3Å; A142-A163 WeakPolarHBondContact CA-O 3.45Å; I143-A163 HydrophobicContact CB-CB 4.37Å; I143-A163 HydrophobicContact CD1-CB 4.22Å; I143-A163 PolarHBondContact N-O 3.11Å; A163-K182 CarbonylContact C-O 3.58Å; A163-K182 WeakPolarHBondContact CA-O 3.47Å; A163-K182 WeakPolarHBondContact CB-O 3.5Å; A163-S184 VanDerWaalsContact CB-O 3.3Å; A163-S184 WeakPolarHBondContact CB-O 3.21Å; A163-F185 HydrophobicContact CB-CB 4.32Å; A163-F185 HydrophobicContact CB-CD1 3.84Å
164L90.1Very high86.3Confident26 Ų2656.4 Ų56.414%0.13628%0.277CS..EExtended strand (participates in β ladder)trans-122.2130.5175.7-176.269.9000108.9A111 T140 A142 P153 L158 T181 K182A111-L164 HydrophobicContact CB-CD1 4.32Å; T140-L164 HydrophobicContact CG2-CD1 3.38Å; T140-L164 HydrophobicContact CG2-CG 4.14Å; A142-L164 HydrophobicContact CB-CD1 4.47Å; P153-L164 HydrophobicContact CG-CD1 3.99Å; L158-L164 HydrophobicContact CD1-CB 4.12Å; L158-L164 HydrophobicContact CD1-CD1 3.65Å; L158-L164 HydrophobicContact CD1-CD2 3.9Å; L158-L164 HydrophobicContact CD1-CG 4.09Å; L164-T181 CarbonylContact O-C 3.57Å; L164-T181 WeakPolarHBondContact O-CA 3.28Å; L164-K182 PolarHBondContact N-O 2.94Å; L164-K182 PolarHBondContact O-N 2.99Å
165M91.1Very high86.7Confident0 Ų061 Ų610%029%0.289CS..EExtended strand (participates in β ladder)trans-134.7122.4-176.5-45.4-177.989.600109T140 C141 I143 F167 S180 T181 F185 L190 C193T140-M165 CarbonylContact C-O 3.55Å; T140-M165 WeakPolarHBondContact CA-O 3.34Å; C141-M165 PolarHBondContact N-O 3.19Å; C141-M165 PolarHBondContact O-N 3.48Å; I143-M165 HydrophobicContact CD1-SD 3.83Å; M165-F167 HydrophobicContact CB-CD2 4.46Å; M165-F167 HydrophobicContact CB-CE2 3.55Å; M165-F167 HydrophobicContact CB-CZ 3.73Å; M165-F167 HydrophobicContact CE-CZ 4.02Å; M165-F167 HydrophobicContact SD-CZ 4.22Å; M165-S180 CarbonylContact C-O 3.56Å; M165-S180 WeakPolarHBondContact CA-O 3.34Å; M165-T181 HydrophobicContact CB-CG2 4.19Å; M165-T181 HydrophobicContact CE-CG2 3.44Å; M165-T181 VanDerWaalsContact CE-CG2 3.44Å; M165-T181 HydrophobicContact CG-CG2 4.15Å; M165-F185 HydrophobicContact CE-CD1 4.07Å; M165-F185 HydrophobicContact CE-CD2 3.64Å; M165-F185 HydrophobicContact CE-CE1 3.96Å; M165-F185 HydrophobicContact CE-CE2 3.49Å; M165-F185 VanDerWaalsContact CE-CE2 3.49Å; M165-F185 HydrophobicContact CE-CG 3.93Å; M165-F185 HydrophobicContact CE-CZ 3.67Å; M165-F185 HydrophobicContact SD-CG 4.46Å; M165-L190 HydrophobicContact CE-CB 4.08Å; M165-L190 HydrophobicContact CE-CD1 3.22Å; M165-L190 HydrophobicContact CE-CG 4.2Å; M165-C193 HydrophobicContact SD-CB 3.95Å
166T92.5Very high87.3Confident5 Ų562 Ų623%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-112.7128.1174.1-56.30000108.8L114 V139 T140 S179 S180L114-T166 HydrophobicContact CB-CG2 4.18Å; L114-T166 HydrophobicContact CD2-CG2 4.02Å; L114-T166 HydrophobicContact CG-CG2 4.08Å; V139-T166 WeakPolarHBondContact O-CA 3.44Å; T140-T166 WeakPolarHBondContact OG1-CG2 3.46Å; T140-T166 PolarHBondContact OG1-OG1 3.49Å; T166-S179 CarbonylContact O-C 3.54Å; T166-S179 WeakPolarHBondContact O-CA 3.21Å; T166-S180 PolarHBondContact N-O 3.43Å; T166-S180 PolarHBondContact O-N 2.9Å
167F93.9Very high87.9Confident2 Ų258.7 Ų58.71%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-118.1132.9179.4-58.1-77.7000110.1G138 V139 M165 I169 V176 M178 L190 C193 V194G138-F167 CarbonylContact C-O 3.58Å; G138-F167 WeakPolarHBondContact CA-O 3.34Å; V139-F167 PolarHBondContact N-O 3.27Å; V139-F167 PolarHBondContact O-N 3.18Å; M165-F167 HydrophobicContact CB-CD2 4.46Å; M165-F167 HydrophobicContact CB-CE2 3.55Å; M165-F167 HydrophobicContact CB-CZ 3.73Å; M165-F167 HydrophobicContact CE-CZ 4.02Å; M165-F167 HydrophobicContact SD-CZ 4.22Å; F167-I169 HydrophobicContact CB-CG1 4.37Å; F167-V176 HydrophobicContact CD1-CG1 4Å; F167-M178 CarbonylContact C-O 3.58Å; F167-M178 WeakPolarHBondContact CA-O 3.46Å; F167-L190 HydrophobicContact CE1-CD1 3.98Å; F167-L190 HydrophobicContact CZ-CD1 3.84Å; F167-C193 HydrophobicContact CE2-CB 3.88Å; F167-C193 HydrophobicContact CZ-CB 4.17Å; F167-V194 HydrophobicContact CD1-CG2 4.29Å; F167-V194 HydrophobicContact CE1-CG2 3.82Å; F167-V194 HydrophobicContact CZ-CG2 4.05Å
168A94.7Very high88.7Confident0 Ų058.3 Ų58.30%027%0.268CS..EExtended strand (participates in β ladder)trans-94.6124.3163.500000108.7T84 L118 C137 V176 M177 M178T84-A168 HydrophobicContact CG2-CB 3.7Å; L118-A168 HydrophobicContact CD1-CB 3.91Å; C137-A168 CarbonylContact O-C 3.54Å; C137-A168 WeakPolarHBondContact O-CA 3.25Å; A168-V176 CarbonylContact O-C 3.59Å; A168-V176 WeakPolarHBondContact O-CA 3.36Å; A168-M177 HydrophobicContact CB-CB 4.35Å; A168-M177 PolarHBondContact O-N 2.78Å; A168-M178 HydrophobicContact CB-CB 3.93Å; A168-M178 HydrophobicContact CB-CE 4.28Å; A168-M178 PolarHBondContact N-O 3.31Å
169I94.3Very high89.4Confident0 Ų059.2 Ų59.20%028%0.279CS..EExtended strand (participates in β ladder)trans-118.3138.2-175.7-62.4162.4000109.1F136 C137 F167 R174 R175 S197 Q198 F205F136-I169 CarbonylContact C-O 3.57Å; F136-I169 WeakPolarHBondContact CA-O 3.49Å; C137-I169 PolarHBondContact N-O 2.96Å; C137-I169 PolarHBondContact O-N 3.28Å; F167-I169 HydrophobicContact CB-CG1 4.37Å; I169-R174 HydrophobicContact CG2-CB 4.44Å; I169-R175 WeakPolarHBondContact CA-O 3.36Å; I169-S197 VanDerWaalsContact CD1-O 3.3Å; I169-S197 WeakPolarHBondContact CD1-O 3.35Å; I169-Q198 HydrophobicContact CD1-CG 4.34Å; I169-F205 WeakPolarHBondContact O-CZ 3.49Å
170D94.1Very high90Very high13 Ų1352.3 Ų52.37%0.0725%0.25CC..EExtended strand (participates in β ladder)trans-78.3139173.316930.7000112.1C134 K172 E173 R174 R175 M177C134-D170 WeakPolarHBondContact CB-OD1 3.45Å; C134-D170 PolarHBondContact SG-OD1 3.2Å; D170-K172 PolarHBondContact OD1-N 3.35Å; D170-K172 PolarHBondContact OD2-N 3.43Å; D170-E173 PolarHBondContact OD2-N 3.15Å; D170-R174 WeakPolarHBondContact O-CA 3.38Å; D170-R174 PolarHBondContact O-N 2.86Å; D170-R174 VanDerWaalsContact O-N 3.1Å; D170-R175 PolarHBondContact N-O 3.15Å; D170-M177 HydrophobicContact CB-CG 4.17Å; D170-M177 HydrophobicContact CB-SD 4.04Å
171S91.2Very high90.5Very high30 Ų3048.1 Ų48.121%0.2123%0.234CC..THydrogen-bonded Turntrans-68-30.5175.2-163.10000114.2L135 F205L135-S171 VanDerWaalsContact O-CB 3.27Å; L135-S171 WeakPolarHBondContact O-CB 3.47Å; L135-S171 PolarHBondContact O-N 2.93Å; S171-F205 VanDerWaalsContact CA-CZ 3.43Å; S171-F205 VanDerWaalsContact N-CZ 3.34Å
172K87.6Confident90.8Very high166 Ų16652.5 Ų52.572%0.72225%0.251SS*.THydrogen-bonded Turntrans-82-56.4-172.5-170.7179.5-179.1-178.80112.2C134 D170C134-K172 HydrophobicContact CB-CB 4.34Å; D170-K172 PolarHBondContact OD1-N 3.35Å; D170-K172 PolarHBondContact OD2-N 3.43Å
173E85.3Confident90.8Very high101 Ų10151.1 Ų51.147%0.47226%0.264SS..THydrogen-bonded Turntrans-106.5-1.8-175.1-60.3-172123.400113.2D170 R175D170-E173 PolarHBondContact OD2-N 3.15Å; E173-R175 HydrophobicContact CB-CG 3.75Å; E173-R175 PolarHBondContact O-N 2.84Å; E173-R175 VanDerWaalsContact O-N 3.11Å; E173-R175 IonicContact OE1-CZ 2.74Å; E173-R175 IonicContact OE1-NE 3.07Å; E173-R175 IonicContact OE1-NH2 2.8Å; E173-R175 PolarHBondContact OE1-NH2 2.6Å; E173-R175 VanDerWaalsContact OE2-CD 3.23Å; E173-R175 WeakPolarHBondContact OE2-CD 3.25Å; E173-R175 IonicContact OE2-CZ 3.4Å; E173-R175 IonicContact OE2-NE 3.96Å; E173-R175 PolarHBondContact OE2-NE 2.74Å; E173-R175 IonicContact OE2-NH1 3.86Å; E173-R175 PolarHBondContact OE2-NH1 2.69Å; E173-R175 VanDerWaalsContact OE2-NH1 3.09Å; E173-R175 IonicContact OE2-NH2 3.09Å; E173-R175 PolarHBondContact OE2-NH2 3.46Å; E173-R175 VanDerWaalsContact OE2-NH2 3.09Å
174R86.1Confident90.7Very high120 Ų12054.1 Ų54.145%0.45329%0.285SS..  trans56.325.5-176-53.2175.3-174.7-163.8-11.6112.8I169 D170 Q198 E202I169-R174 HydrophobicContact CG2-CB 4.44Å; D170-R174 WeakPolarHBondContact O-CA 3.38Å; D170-R174 PolarHBondContact O-N 2.86Å; D170-R174 VanDerWaalsContact O-N 3.1Å; R174-Q198 PolarHBondContact O-NE2 3.33Å; R174-E202 IonicContact CZ-OE1 2.96Å; R174-E202 IonicContact NH1-OE1 2.64Å; R174-E202 PolarHBondContact NH1-OE1 2.92Å; R174-E202 IonicContact NH2-OE1 2.79Å; R174-E202 PolarHBondContact NH2-OE1 3.22Å
175R90.2Very high90.7Very high150 Ų15055.9 Ų55.957%0.56629%0.291SS*.  trans-77.4145.2176.4-68.1-178.8-174.1176.314.1109.2I169 D170 E173 M177I169-R175 WeakPolarHBondContact CA-O 3.36Å; D170-R175 PolarHBondContact N-O 3.15Å; E173-R175 HydrophobicContact CB-CG 3.75Å; E173-R175 PolarHBondContact O-N 2.84Å; E173-R175 VanDerWaalsContact O-N 3.11Å; E173-R175 IonicContact OE1-CZ 2.74Å; E173-R175 IonicContact OE1-NE 3.07Å; E173-R175 IonicContact OE1-NH2 2.8Å; E173-R175 PolarHBondContact OE1-NH2 2.6Å; E173-R175 VanDerWaalsContact OE2-CD 3.23Å; E173-R175 WeakPolarHBondContact OE2-CD 3.25Å; E173-R175 IonicContact OE2-CZ 3.4Å; E173-R175 IonicContact OE2-NE 3.96Å; E173-R175 PolarHBondContact OE2-NE 2.74Å; E173-R175 IonicContact OE2-NH1 3.86Å; E173-R175 PolarHBondContact OE2-NH1 2.69Å; E173-R175 VanDerWaalsContact OE2-NH1 3.09Å; E173-R175 IonicContact OE2-NH2 3.09Å; E173-R175 PolarHBondContact OE2-NH2 3.46Å; E173-R175 VanDerWaalsContact OE2-NH2 3.09Å; R175-M177 PolarHBondContact O-N 2.82Å
176V91.5Very high90.7Very high55 Ų5558.4 Ų58.433%0.33331%0.309SS..EExtended strand (participates in β ladder)trans-77.5118.5173.1-179.80000107.6F167 A168 M178 V194F167-V176 HydrophobicContact CD1-CG1 4Å; A168-V176 CarbonylContact O-C 3.59Å; A168-V176 WeakPolarHBondContact O-CA 3.36Å; V176-M178 WeakPolarHBondContact CG1-O 3.39Å; V176-V194 HydrophobicContact CG2-CG1 3.81Å; V176-V194 HydrophobicContact CG2-CG2 4.42Å
177M90.6Very high90.6Very high56 Ų5663.2 Ų63.228%0.27634%0.338SS..EExtended strand (participates in β ladder)trans-86.5-40.7177.8-61.3-176.868.900111.3T84 A87 F136 A168 D170 R175T84-M177 HydrophobicContact CG2-CB 4.46Å; T84-M177 HydrophobicContact CG2-CE 4.5Å; T84-M177 HydrophobicContact CG2-SD 4.43Å; T84-M177 WeakPolarHBondContact O-CE 3.43Å; A87-M177 HydrophobicContact CB-CE 3.32Å; F136-M177 HydrophobicContact CB-SD 3.97Å; A168-M177 HydrophobicContact CB-CB 4.35Å; A168-M177 PolarHBondContact O-N 2.78Å; D170-M177 HydrophobicContact CB-CG 4.17Å; D170-M177 HydrophobicContact CB-SD 4.04Å; R175-M177 PolarHBondContact O-N 2.82Å
178M92.2Very high90.5Very high15 Ų1568.5 Ų68.57%0.07436%0.363CS..EExtended strand (participates in β ladder)trans-142.3142.1-179.6-178.2-81.5-65.900109.1C80 T84 L114 L118 F167 A168 V176C80-M178 HydrophobicContact CB-CE 3.98Å; C80-M178 HydrophobicContact CB-CG 4.33Å; C80-M178 HydrophobicContact CB-SD 4.15Å; T84-M178 WeakPolarHBondContact OG1-CB 3.49Å; L114-M178 HydrophobicContact CD2-CE 3.88Å; L114-M178 HydrophobicContact CG-CE 4.29Å; L118-M178 HydrophobicContact CD1-CE 3.69Å; F167-M178 CarbonylContact C-O 3.58Å; F167-M178 WeakPolarHBondContact CA-O 3.46Å; A168-M178 HydrophobicContact CB-CB 3.93Å; A168-M178 HydrophobicContact CB-CE 4.28Å; A168-M178 PolarHBondContact N-O 3.31Å; V176-M178 WeakPolarHBondContact CG1-O 3.39Å
179S92.3Very high90.2Very high69 Ų6969.8 Ų69.848%0.48337%0.369SS..EExtended strand (participates in β ladder)trans-133.8117.9172.262.80000109.9T166T166-S179 CarbonylContact O-C 3.54Å; T166-S179 WeakPolarHBondContact O-CA 3.21Å
180S91.4Very high90Very high31 Ų3172.3 Ų72.322%0.21738%0.382CS..EExtended strand (participates in β ladder)trans-107.3114.8172.2163.70000108.6M165 T166M165-S180 CarbonylContact C-O 3.56Å; M165-S180 WeakPolarHBondContact CA-O 3.34Å; T166-S180 PolarHBondContact N-O 3.43Å; T166-S180 PolarHBondContact O-N 2.9Å
181T91.3Very high89.9Confident59 Ų5977.8 Ų77.836%0.36241%0.407SS..EExtended strand (participates in β ladder)trans-118.8138.5-177.7570000111.2L164 M165 F185L164-T181 CarbonylContact O-C 3.57Å; L164-T181 WeakPolarHBondContact O-CA 3.28Å; M165-T181 HydrophobicContact CB-CG2 4.19Å; M165-T181 HydrophobicContact CE-CG2 3.44Å; M165-T181 VanDerWaalsContact CE-CG2 3.44Å; M165-T181 HydrophobicContact CG-CG2 4.15Å; T181-F185 HydrophobicContact CG2-CE1 4.23Å; T181-F185 HydrophobicContact CG2-CZ 3.83Å
182K88.7Confident89.8Confident114 Ų11479 Ų7950%0.49641%0.409SS..EExtended strand (participates in β ladder)trans-134.8140.7175.6-64.8-178.8-178.9174.90109.2A163 L164A163-K182 CarbonylContact C-O 3.58Å; A163-K182 WeakPolarHBondContact CA-O 3.47Å; A163-K182 WeakPolarHBondContact CB-O 3.5Å; L164-K182 PolarHBondContact N-O 2.94Å; L164-K182 PolarHBondContact O-N 2.99Å
183G88.7Confident90Very high59 Ų5971.1 Ų71.161%0.60838%0.375SS*.EExtended strand (participates in β ladder)trans96.8-166.5-179.100000113R162R162-G183 WeakPolarHBondContact O-CA 3.45Å
184S87.6Confident90.3Very high66 Ų6667.9 Ų67.946%0.46236%0.362SS..  trans-106.7138.8-178.3630000110.1R162 A163R162-S184 WeakPolarHBondContact CD-OG 3.33Å; R162-S184 VanDerWaalsContact CG-OG 3.26Å; R162-S184 WeakPolarHBondContact CG-OG 2.92Å; R162-S184 PolarHBondContact NE-O 3.27Å; R162-S184 PolarHBondContact NH1-O 2.87Å; R162-S184 PolarHBondContact NH1-OG 3.02Å; R162-S184 PolarHBondContact NH2-O 2.85Å; R162-S184 PolarHBondContact O-N 2.93Å; A163-S184 VanDerWaalsContact CB-O 3.3Å; A163-S184 WeakPolarHBondContact CB-O 3.21Å
185F89.7Confident90.6Very high63 Ų6363.7 Ų63.728%0.27635%0.353SS..  trans-159.8157.2177.651.6-88.1000110.9I143 A163 M165 T181 L190I143-F185 HydrophobicContact CD1-CB 3.7Å; A163-F185 HydrophobicContact CB-CB 4.32Å; A163-F185 HydrophobicContact CB-CD1 3.84Å; M165-F185 HydrophobicContact CE-CD1 4.07Å; M165-F185 HydrophobicContact CE-CD2 3.64Å; M165-F185 HydrophobicContact CE-CE1 3.96Å; M165-F185 HydrophobicContact CE-CE2 3.49Å; M165-F185 VanDerWaalsContact CE-CE2 3.49Å; M165-F185 HydrophobicContact CE-CG 3.93Å; M165-F185 HydrophobicContact CE-CZ 3.67Å; M165-F185 HydrophobicContact SD-CG 4.46Å; T181-F185 HydrophobicContact CG2-CE1 4.23Å; T181-F185 HydrophobicContact CG2-CZ 3.83Å; F185-L190 HydrophobicContact CD2-CB 4.08Å; F185-L190 HydrophobicContact CE2-CB 4.22Å; F185-L190 HydrophobicContact CE2-CD1 4.48Å; F185-L190 HydrophobicContact CE2-CD2 4.39Å
186S91.2Very high90.6Very high53 Ų5356.7 Ų56.737%0.37133%0.327SS..  trans-87.9160.8173.868.70000110.9H188 E189 L190S186-H188 PolarHBondContact O-N 3.3Å; S186-E189 WeakPolarHBondContact CB-OE2 3.29Å; S186-E189 PolarHBondContact N-OE2 3.39Å; S186-E189 PolarHBondContact O-N 3.16Å; S186-E189 VanDerWaalsContact OG-CD 3.3Å; S186-E189 VanDerWaalsContact OG-CG 3.26Å; S186-E189 WeakPolarHBondContact OG-CG 3.4Å; S186-E189 PolarHBondContact OG-N 2.94Å; S186-E189 PolarHBondContact OG-OE2 3.22Å; S186-L190 PolarHBondContact O-N 3.14Å
187V90.8Very high90.5Very high105 Ų10554.1 Ų54.164%0.63631%0.311SS*.Hα-helixtrans-62.5-34.1176.7-178.90000111.3L190 Q191V187-L190 PolarHBondContact O-N 2.84Å; V187-Q191 WeakPolarHBondContact O-CG 3.19Å; V187-Q191 PolarHBondContact O-N 3.35Å
188H90.3Very high90.6Very high114 Ų11454.5 Ų54.553%0.52831%0.313SS..Hα-helixtrans-66.4-45.3178-173.8-91.7000111.7S186 L190 Q191 Q192S186-H188 PolarHBondContact O-N 3.3Å; H188-L190 VanDerWaalsContact C-N 3.33Å; H188-L190 PolarHBondContact O-N 3.45Å; H188-Q191 PolarHBondContact O-N 3.19Å; H188-Q192 PolarHBondContact CE1-NE2 3.16Å; H188-Q192 PolarHBondContact ND1-OE1 3.31Å; H188-Q192 WeakPolarHBondContact O-CG 3.49Å; H188-Q192 PolarHBondContact O-N 3.45Å
189E89.1Confident90.5Very high27 Ų2758.5 Ų58.513%0.12633%0.329CS..Hα-helixtrans-62.5-40.7175.4-69.6162.4133.600111.3I143 R162 S186 Q191 Q192 C193I143-E189 HydrophobicContact CD1-CB 3.86Å; R162-E189 IonicContact CZ-OE2 2.6Å; R162-E189 IonicContact NH2-OE1 2.76Å; R162-E189 PolarHBondContact NH2-OE1 2.92Å; R162-E189 IonicContact NH2-OE2 3.64Å; R162-E189 PolarHBondContact NH2-OE2 3.15Å; S186-E189 WeakPolarHBondContact CB-OE2 3.29Å; S186-E189 PolarHBondContact N-OE2 3.39Å; S186-E189 PolarHBondContact O-N 3.16Å; S186-E189 VanDerWaalsContact OG-CD 3.3Å; S186-E189 VanDerWaalsContact OG-CG 3.26Å; S186-E189 WeakPolarHBondContact OG-CG 3.4Å; S186-E189 PolarHBondContact OG-N 2.94Å; S186-E189 PolarHBondContact OG-OE2 3.22Å; E189-Q191 PolarHBondContact O-N 3.08Å; E189-Q192 PolarHBondContact O-N 3.36Å; E189-C193 WeakPolarHBondContact O-CB 3.49Å; E189-C193 PolarHBondContact O-N 3.08Å; E189-C193 PolarHBondContact O-SG 2.81Å
190L90.8Very high90.4Very high53 Ų5355.2 Ų55.228%0.27731%0.307SS..Hα-helixtrans-57.7-47.1174.3170.766000111.5M165 F167 F185 S186 V187 H188 Q192 C193 V194M165-L190 HydrophobicContact CE-CB 4.08Å; M165-L190 HydrophobicContact CE-CD1 3.22Å; M165-L190 HydrophobicContact CE-CG 4.2Å; F167-L190 HydrophobicContact CE1-CD1 3.98Å; F167-L190 HydrophobicContact CZ-CD1 3.84Å; F185-L190 HydrophobicContact CD2-CB 4.08Å; F185-L190 HydrophobicContact CE2-CB 4.22Å; F185-L190 HydrophobicContact CE2-CD1 4.48Å; F185-L190 HydrophobicContact CE2-CD2 4.39Å; S186-L190 PolarHBondContact O-N 3.14Å; V187-L190 PolarHBondContact O-N 2.84Å; H188-L190 VanDerWaalsContact C-N 3.33Å; H188-L190 PolarHBondContact O-N 3.45Å; L190-Q192 VanDerWaalsContact C-N 3.32Å; L190-Q192 PolarHBondContact O-N 2.92Å; L190-C193 PolarHBondContact O-N 3.19Å; L190-V194 HydrophobicContact CD1-CG2 4.37Å; L190-V194 WeakPolarHBondContact O-CG2 3.39Å; L190-V194 PolarHBondContact O-N 3.13Å
191Q91.5Very high90.4Very high127 Ų12753.8 Ų53.859%0.59330%0.297SS*.Hα-helixtrans-62.5-40.5178.6-73.9176.5-16.600112.1V187 H188 E189 V194 A195V187-Q191 WeakPolarHBondContact O-CG 3.19Å; V187-Q191 PolarHBondContact O-N 3.35Å; H188-Q191 PolarHBondContact O-N 3.19Å; E189-Q191 PolarHBondContact O-N 3.08Å; Q191-V194 PolarHBondContact O-N 3.13Å; Q191-A195 PolarHBondContact O-N 2.65Å
192Q90.1Very high90.4Very high56 Ų5654.4 Ų54.426%0.26230%0.295SS..Hα-helixtrans-65-44.1175.1-70.2177.2-45.400111.6I149 H188 E189 L190 V194 A195 V196I149-Q192 HydrophobicContact CD1-CB 3.36Å; I149-Q192 HydrophobicContact CD1-CG 4.46Å; H188-Q192 PolarHBondContact CE1-NE2 3.16Å; H188-Q192 PolarHBondContact ND1-OE1 3.31Å; H188-Q192 WeakPolarHBondContact O-CG 3.49Å; H188-Q192 PolarHBondContact O-N 3.45Å; E189-Q192 PolarHBondContact O-N 3.36Å; L190-Q192 VanDerWaalsContact C-N 3.32Å; L190-Q192 PolarHBondContact O-N 2.92Å; Q192-V194 VanDerWaalsContact C-N 3.3Å; Q192-V194 PolarHBondContact O-N 2.75Å; Q192-A195 PolarHBondContact O-N 2.95Å; Q192-A195 VanDerWaalsContact O-N 3.16Å; Q192-V196 WeakPolarHBondContact O-CB 3.38Å; Q192-V196 VanDerWaalsContact O-CG2 3.25Å; Q192-V196 WeakPolarHBondContact O-CG2 3.5Å; Q192-V196 PolarHBondContact O-N 3.06Å
193C90.4Very high90.5Very high0 Ų053.9 Ų53.90%029%0.293CS..Hα-helixtrans-59.5-39.5175.6-74.30000112.2M165 F167 E189 L190 V196 S197M165-C193 HydrophobicContact SD-CB 3.95Å; F167-C193 HydrophobicContact CE2-CB 3.88Å; F167-C193 HydrophobicContact CZ-CB 4.17Å; E189-C193 WeakPolarHBondContact O-CB 3.49Å; E189-C193 PolarHBondContact O-N 3.08Å; E189-C193 PolarHBondContact O-SG 2.81Å; L190-C193 PolarHBondContact O-N 3.19Å; C193-V196 PolarHBondContact O-N 3.07Å; C193-S197 VanDerWaalsContact O-CB 3.29Å; C193-S197 WeakPolarHBondContact O-CB 3.49Å; C193-S197 PolarHBondContact O-N 2.92Å; C193-S197 PolarHBondContact O-OG 2.91Å
194V92Very high90.7Very high33 Ų3351.1 Ų51.120%0.226%0.264CS..Hα-helixtrans-64-46.1174.3172.50000111F167 V176 L190 Q191 Q192 V196 S197 Q198F167-V194 HydrophobicContact CD1-CG2 4.29Å; F167-V194 HydrophobicContact CE1-CG2 3.82Å; F167-V194 HydrophobicContact CZ-CG2 4.05Å; V176-V194 HydrophobicContact CG2-CG1 3.81Å; V176-V194 HydrophobicContact CG2-CG2 4.42Å; L190-V194 HydrophobicContact CD1-CG2 4.37Å; L190-V194 WeakPolarHBondContact O-CG2 3.39Å; L190-V194 PolarHBondContact O-N 3.13Å; Q191-V194 PolarHBondContact O-N 3.13Å; Q192-V194 VanDerWaalsContact C-N 3.3Å; Q192-V194 PolarHBondContact O-N 2.75Å; V194-V196 VanDerWaalsContact C-N 3.33Å; V194-V196 PolarHBondContact O-N 2.86Å; V194-S197 WeakPolarHBondContact CA-OG 3.4Å; V194-S197 PolarHBondContact O-N 2.87Å; V194-S197 PolarHBondContact O-OG 3.34Å; V194-Q198 WeakPolarHBondContact O-CB 3.38Å; V194-Q198 VanDerWaalsContact O-CG 3.28Å; V194-Q198 WeakPolarHBondContact O-CG 3.44Å; V194-Q198 PolarHBondContact O-N 2.86Å
195A91.4Very high90.9Very high32 Ų3248.7 Ų48.726%0.26425%0.245SC..Hα-helixtrans-63.9-39.1178.500000112.5Q191 Q192 K199Q191-A195 PolarHBondContact O-N 2.65Å; Q192-A195 PolarHBondContact O-N 2.95Å; Q192-A195 VanDerWaalsContact O-N 3.16Å; A195-K199 WeakPolarHBondContact O-CG 3.34Å; A195-K199 PolarHBondContact O-N 2.84Å
196V91Very high91Very high4 Ų451.2 Ų51.22%0.02426%0.258CS..Hα-helixtrans-68-45.4177.8167.10000111V9 I149 T151 Q192 C193 V194 Q198 K199 A200V9-V196 HydrophobicContact CG2-CG1 4.19Å; I149-V196 HydrophobicContact CG2-CG1 4.36Å; T151-V196 HydrophobicContact CG2-CG1 3.14Å; Q192-V196 WeakPolarHBondContact O-CB 3.38Å; Q192-V196 VanDerWaalsContact O-CG2 3.25Å; Q192-V196 WeakPolarHBondContact O-CG2 3.5Å; Q192-V196 PolarHBondContact O-N 3.06Å; C193-V196 PolarHBondContact O-N 3.07Å; V194-V196 VanDerWaalsContact C-N 3.33Å; V194-V196 PolarHBondContact O-N 2.86Å; V196-Q198 PolarHBondContact O-N 2.91Å; V196-K199 PolarHBondContact O-N 3.11Å; V196-A200 PolarHBondContact O-N 3.34Å
197S90.6Very high91.1Very high0 Ų050.1 Ų50.10%025%0.247CC..Hα-helixtrans-65.9-36.1177.155.80000112.4I169 C193 V194 K199 A200 S201I169-S197 VanDerWaalsContact CD1-O 3.3Å; I169-S197 WeakPolarHBondContact CD1-O 3.35Å; C193-S197 VanDerWaalsContact O-CB 3.29Å; C193-S197 WeakPolarHBondContact O-CB 3.49Å; C193-S197 PolarHBondContact O-N 2.92Å; C193-S197 PolarHBondContact O-OG 2.91Å; V194-S197 WeakPolarHBondContact CA-OG 3.4Å; V194-S197 PolarHBondContact O-N 2.87Å; V194-S197 PolarHBondContact O-OG 3.34Å; S197-K199 PolarHBondContact O-N 3.26Å; S197-A200 PolarHBondContact O-N 3.45Å; S197-S201 WeakPolarHBondContact O-CB 3.06Å; S197-S201 PolarHBondContact O-N 3.15Å
198Q91.3Very high91.1Very high65 Ų6545.2 Ų45.230%0.30422%0.217SC..Hα-helixtrans-59.3-44.2170.5-76.7174.7-18.900112I169 R174 V194 V196 S201I169-Q198 HydrophobicContact CD1-CG 4.34Å; R174-Q198 PolarHBondContact O-NE2 3.33Å; V194-Q198 WeakPolarHBondContact O-CB 3.38Å; V194-Q198 VanDerWaalsContact O-CG 3.28Å; V194-Q198 WeakPolarHBondContact O-CG 3.44Å; V194-Q198 PolarHBondContact O-N 2.86Å; V196-Q198 PolarHBondContact O-N 2.91Å; Q198-S201 PolarHBondContact O-N 3.29Å; Q198-S201 PolarHBondContact O-OG 2.79Å
199K91.1Very high91.1Very high99 Ų9946.8 Ų46.843%0.4322%0.218SC..Hα-helixtrans-65.3-40.1174.8-70.4176.4-177.8178.80112.1V9 A195 V196 S197 S201 E202V9-K199 HydrophobicContact CG2-CB 4.22Å; A195-K199 WeakPolarHBondContact O-CG 3.34Å; A195-K199 PolarHBondContact O-N 2.84Å; V196-K199 PolarHBondContact O-N 3.11Å; S197-K199 PolarHBondContact O-N 3.26Å; K199-S201 VanDerWaalsContact C-N 3.34Å; K199-E202 PolarHBondContact O-N 3.06Å
200A90.6Very high91.3Very high0 Ų048.8 Ų48.80%023%0.229CC..Hα-helixtrans-64.6-39177.600000112.4V9 L11 V139 V196 S197 E202 K203V9-A200 HydrophobicContact CG1-CB 3.61Å; L11-A200 HydrophobicContact CD1-CB 4.3Å; L11-A200 HydrophobicContact CD2-CB 4.31Å; V139-A200 HydrophobicContact CG1-CB 3.93Å; V139-A200 HydrophobicContact CG2-CB 4.23Å; V196-A200 PolarHBondContact O-N 3.34Å; S197-A200 PolarHBondContact O-N 3.45Å; A200-E202 PolarHBondContact O-N 2.76Å; A200-K203 PolarHBondContact O-N 2.8Å; A200-K203 VanDerWaalsContact O-N 3.12Å
201S91.3Very high91.2Very high1 Ų146.9 Ų46.91%0.00722%0.221CC..Hα-helixtrans-57-33.8179.6740000112.7C137 S197 Q198 K199 K203 I204 F205C137-S201 WeakPolarHBondContact SG-CB 3.47Å; S197-S201 WeakPolarHBondContact O-CB 3.06Å; S197-S201 PolarHBondContact O-N 3.15Å; Q198-S201 PolarHBondContact O-N 3.29Å; Q198-S201 PolarHBondContact O-OG 2.79Å; K199-S201 VanDerWaalsContact C-N 3.34Å; S201-K203 VanDerWaalsContact C-N 3.3Å; S201-K203 PolarHBondContact O-N 2.85Å; S201-I204 PolarHBondContact O-N 2.87Å; S201-I204 VanDerWaalsContact O-N 3.14Å; S201-F205 WeakPolarHBondContact O-CD2 3.29Å; S201-F205 WeakPolarHBondContact O-CG 3.41Å; S201-F205 PolarHBondContact O-N 2.8Å
202E90.4Very high91Very high71 Ų7142.4 Ų42.433%0.33220%0.202SC..Hα-helixtrans-59.1-41.3178.6-64.8-176.6171.100112.2R174 K199 A200 F205 Q206R174-E202 IonicContact CZ-OE1 2.96Å; R174-E202 IonicContact NH1-OE1 2.64Å; R174-E202 PolarHBondContact NH1-OE1 2.92Å; R174-E202 IonicContact NH2-OE1 2.79Å; R174-E202 PolarHBondContact NH2-OE1 3.22Å; K199-E202 PolarHBondContact O-N 3.06Å; A200-E202 PolarHBondContact O-N 2.76Å; E202-F205 PolarHBondContact O-N 3.44Å; E202-Q206 VanDerWaalsContact O-CG 3.27Å; E202-Q206 WeakPolarHBondContact O-CG 3.47Å; E202-Q206 PolarHBondContact O-N 3.01Å
203K90.7Very high90.9Very high103 Ų10347.6 Ų47.645%0.44822%0.219SC..Hα-helixtrans-65.2-40.8177.6-65.6-177.5178.2178.70111.2V9 L11 A200 S201 Q206 F207V9-K203 PolarHBondContact O-NZ 2.64Å; L11-K203 HydrophobicContact CD1-CB 4.32Å; A200-K203 PolarHBondContact O-N 2.8Å; A200-K203 VanDerWaalsContact O-N 3.12Å; S201-K203 VanDerWaalsContact C-N 3.3Å; S201-K203 PolarHBondContact O-N 2.85Å; K203-Q206 PolarHBondContact O-N 3.41Å; K203-F207 WeakPolarHBondContact O-CB 3.48Å; K203-F207 PolarHBondContact O-N 3.35Å
204I92.1Very high90.8Very high1 Ų155.3 Ų55.31%0.00525%0.248CC..Hα-helixtrans-68.2-42178.8-57.8177.5000110.7L11 F14 C137 V139 S201 Q206 F207 Y208L11-I204 HydrophobicContact CD1-CD1 4.1Å; L11-I204 HydrophobicContact CD1-CG1 3.81Å; F14-I204 HydrophobicContact CE1-CG1 4.49Å; C137-I204 HydrophobicContact CB-CB 4.3Å; C137-I204 HydrophobicContact CB-CG2 3.81Å; V139-I204 HydrophobicContact CG2-CD1 3.75Å; S201-I204 PolarHBondContact O-N 2.87Å; S201-I204 VanDerWaalsContact O-N 3.14Å; I204-Q206 PolarHBondContact O-N 3.07Å; I204-F207 WeakPolarHBondContact O-CB 3.46Å; I204-F207 PolarHBondContact O-N 3.26Å; I204-Y208 HydrophobicContact CG2-CD1 4.21Å; I204-Y208 HydrophobicContact CG2-CE1 3.62Å; I204-Y208 HydrophobicContact CG2-CE2 4.32Å; I204-Y208 WeakPolarHBondContact O-CD1 3.48Å; I204-Y208 PolarHBondContact O-N 2.75Å
205F92.7Very high90.3Very high15 Ų1556.9 Ų56.97%0.06625%0.251CS..Hα-helixtrans-66.6-36.8176.6-69.7-50.6000113.1L135 C137 I169 S171 S201 E202 F207 Y208 R209L135-F205 HydrophobicContact CB-CD1 4.46Å; L135-F205 HydrophobicContact CB-CE1 4.16Å; C137-F205 HydrophobicContact CB-CE1 3.89Å; C137-F205 HydrophobicContact CB-CZ 4Å; C137-F205 WeakPolarHBondContact SG-CZ 3.29Å; I169-F205 WeakPolarHBondContact O-CZ 3.49Å; S171-F205 VanDerWaalsContact CA-CZ 3.43Å; S171-F205 VanDerWaalsContact N-CZ 3.34Å; S201-F205 WeakPolarHBondContact O-CD2 3.29Å; S201-F205 WeakPolarHBondContact O-CG 3.41Å; S201-F205 PolarHBondContact O-N 2.8Å; E202-F205 PolarHBondContact O-N 3.44Å; F205-F207 VanDerWaalsContact C-N 3.31Å; F205-Y208 HydrophobicContact CD1-CD2 4.12Å; F205-Y208 HydrophobicContact CD1-CE2 4.42Å; F205-Y208 PolarHBondContact O-N 2.86Å; F205-R209 WeakPolarHBondContact O-CG 3.02Å; F205-R209 PolarHBondContact O-N 2.91Å
206Q92Very high89.7Confident116 Ų11661.6 Ų61.654%0.54226%0.263SS..Hα-helixtrans-59.7-46.1170.9-75.11745.400110.4E202 K203 I204 Y208 R209 D210E202-Q206 VanDerWaalsContact O-CG 3.27Å; E202-Q206 WeakPolarHBondContact O-CG 3.47Å; E202-Q206 PolarHBondContact O-N 3.01Å; K203-Q206 PolarHBondContact O-N 3.41Å; I204-Q206 PolarHBondContact O-N 3.07Å; Q206-Y208 PolarHBondContact O-N 2.84Å; Q206-R209 PolarHBondContact O-N 2.8Å; Q206-D210 PolarHBondContact O-N 2.83Å
207F92.1Very high89.1Confident31 Ų3165.9 Ų65.914%0.13629%0.292CS..Hα-helixtrans-61.3-39176.8173.8-101000114F14 C16 F30 K203 I204 F205 R209 D210 S211F14-F207 HydrophobicContact CD2-CB 4.29Å; F14-F207 AromaticContact CD2-CD1 3.65Å; F14-F207 HydrophobicContact CD2-CD1 3.65Å; F14-F207 AromaticContact CD2-CD2 3.85Å; F14-F207 HydrophobicContact CD2-CD2 3.85Å; F14-F207 AromaticContact CD2-CE1 3.85Å; F14-F207 HydrophobicContact CD2-CE1 3.85Å; F14-F207 HydrophobicContact CD2-CE2 4.02Å; F14-F207 AromaticContact CD2-CG 3.66Å; F14-F207 HydrophobicContact CD2-CG 3.66Å; F14-F207 HydrophobicContact CD2-CZ 4.03Å; F14-F207 HydrophobicContact CE2-CB 3.5Å; F14-F207 VanDerWaalsContact CE2-CB 3.5Å; F14-F207 AromaticContact CE2-CD1 3.76Å; F14-F207 HydrophobicContact CE2-CD1 3.76Å; F14-F207 AromaticContact CE2-CD2 3.62Å; F14-F207 HydrophobicContact CE2-CD2 3.62Å; F14-F207 HydrophobicContact CE2-CE1 4.38Å; F14-F207 HydrophobicContact CE2-CE2 4.25Å; F14-F207 AromaticContact CE2-CG 3.33Å; F14-F207 HydrophobicContact CE2-CG 3.33Å; F14-F207 HydrophobicContact CZ-CB 4.32Å; C16-F207 HydrophobicContact CB-CE1 3.62Å; C16-F207 HydrophobicContact CB-CZ 3.78Å; F30-F207 HydrophobicContact CE2-CD1 4.43Å; F30-F207 AromaticContact CE2-CE1 3.97Å; F30-F207 HydrophobicContact CE2-CE1 3.97Å; K203-F207 WeakPolarHBondContact O-CB 3.48Å; K203-F207 PolarHBondContact O-N 3.35Å; I204-F207 WeakPolarHBondContact O-CB 3.46Å; I204-F207 PolarHBondContact O-N 3.26Å; F205-F207 VanDerWaalsContact C-N 3.31Å; F207-R209 VanDerWaalsContact C-N 3.35Å; F207-R209 PolarHBondContact O-N 2.89Å; F207-D210 PolarHBondContact O-N 3.26Å; F207-S211 WeakPolarHBondContact CZ-OG 3.42Å; F207-S211 VanDerWaalsContact O-CB 3.29Å; F207-S211 WeakPolarHBondContact O-CB 3.46Å; F207-S211 PolarHBondContact O-N 3.47Å; F207-S211 PolarHBondContact O-OG 3.39Å
208Y92.2Very high88Confident1 Ų174.1 Ų74.10%0.00433%0.329CS..Hα-helixtrans-59.3-47.5173.9-72.4-1.8000111.5F30 N119 C122 M123 M126 C137 I204 F205 Q206 D210 S211 V212F30-Y208 HydrophobicContact CE2-CE1 4.07Å; N119-Y208 WeakPolarHBondContact CA-OH 3.19Å; N119-Y208 WeakPolarHBondContact CB-OH 3.29Å; N119-Y208 PolarHBondContact OD1-OH 2.81Å; C122-Y208 HydrophobicContact CB-CE2 4.23Å; M123-Y208 HydrophobicContact CE-CD1 4.17Å; M123-Y208 HydrophobicContact CG-CD1 4.08Å; M123-Y208 HydrophobicContact CG-CE1 3.84Å; M123-Y208 HydrophobicContact SD-CD1 3.47Å; M123-Y208 WeakPolarHBondContact SD-CD1 3.42Å; M123-Y208 HydrophobicContact SD-CD2 4.27Å; M123-Y208 HydrophobicContact SD-CE1 3.87Å; M123-Y208 HydrophobicContact SD-CG 3.69Å; M126-Y208 HydrophobicContact CE-CD2 3.97Å; M126-Y208 HydrophobicContact CE-CG 4.25Å; C137-Y208 HydrophobicContact CB-CE2 4.35Å; I204-Y208 HydrophobicContact CG2-CD1 4.21Å; I204-Y208 HydrophobicContact CG2-CE1 3.62Å; I204-Y208 HydrophobicContact CG2-CE2 4.32Å; I204-Y208 WeakPolarHBondContact O-CD1 3.48Å; I204-Y208 PolarHBondContact O-N 2.75Å; F205-Y208 HydrophobicContact CD1-CD2 4.12Å; F205-Y208 HydrophobicContact CD1-CE2 4.42Å; F205-Y208 PolarHBondContact O-N 2.86Å; Q206-Y208 PolarHBondContact O-N 2.84Å; Y208-D210 VanDerWaalsContact C-N 3.32Å; Y208-D210 PolarHBondContact O-N 2.99Å; Y208-S211 PolarHBondContact O-N 2.82Å; Y208-V212 WeakPolarHBondContact O-CB 3.49Å; Y208-V212 VanDerWaalsContact O-CG2 3.26Å; Y208-V212 WeakPolarHBondContact O-CG2 3.34Å; Y208-V212 PolarHBondContact O-N 2.81Å
209R90.8Very high86.4Confident147 Ų14776.8 Ų76.856%0.55535%0.345SS*.Hα-helixtrans-61.6-42.8178.5-68.8175.5179.5179.81.6111.4F205 Q206 F207 R213F205-R209 WeakPolarHBondContact O-CG 3.02Å; F205-R209 PolarHBondContact O-N 2.91Å; Q206-R209 PolarHBondContact O-N 2.8Å; F207-R209 VanDerWaalsContact C-N 3.35Å; F207-R209 PolarHBondContact O-N 2.89Å; R209-R213 WeakPolarHBondContact O-CB 3.44Å; R209-R213 VanDerWaalsContact O-CG 3.23Å; R209-R213 WeakPolarHBondContact O-CG 3.34Å; R209-R213 PolarHBondContact O-N 3.18Å
210D91.7Very high84.2Confident69 Ų6981.6 Ų81.637%0.36937%0.374SS..Hα-helixtrans-68.6-40.3179.8-70.3-17.7000112.1Q206 F207 Y208 R213 R214Q206-D210 PolarHBondContact O-N 2.83Å; F207-D210 PolarHBondContact O-N 3.26Å; Y208-D210 VanDerWaalsContact C-N 3.32Å; Y208-D210 PolarHBondContact O-N 2.99Å; D210-R213 PolarHBondContact O-N 3.49Å; D210-R214 WeakPolarHBondContact O-CB 3.13Å; D210-R214 VanDerWaalsContact O-CG 3.23Å; D210-R214 WeakPolarHBondContact O-CG 3.46Å; D210-R214 PolarHBondContact O-N 2.8Å
211S89.2Confident83.9Confident14 Ų1485.7 Ų85.710%0.09839%0.393CS..Hα-helixtrans-62.9-46.1177.1-61.90000111.5F207 Y208 R214 R215F207-S211 WeakPolarHBondContact CZ-OG 3.42Å; F207-S211 VanDerWaalsContact O-CB 3.29Å; F207-S211 WeakPolarHBondContact O-CB 3.46Å; F207-S211 PolarHBondContact O-N 3.47Å; F207-S211 PolarHBondContact O-OG 3.39Å; Y208-S211 PolarHBondContact O-N 2.82Å; S211-R214 PolarHBondContact O-N 2.76Å; S211-R215 PolarHBondContact O-N 2.94Å
212V87.4Confident83.5Confident33 Ų3390.2 Ų90.220%0.241%0.413CS..Hα-helixtrans-64.4-45.3177173.60000110.7M126 Y208 R214 R215 Y216M126-V212 HydrophobicContact SD-CG2 4.11Å; Y208-V212 WeakPolarHBondContact O-CB 3.49Å; Y208-V212 VanDerWaalsContact O-CG2 3.26Å; Y208-V212 WeakPolarHBondContact O-CG2 3.34Å; Y208-V212 PolarHBondContact O-N 2.81Å; V212-R214 PolarHBondContact O-N 2.77Å; V212-R215 PolarHBondContact O-N 3.4Å; V212-Y216 HydrophobicContact CG1-CD2 3.64Å; V212-Y216 HydrophobicContact CG1-CE2 3.52Å; V212-Y216 VanDerWaalsContact O-CD2 3.26Å; V212-Y216 WeakPolarHBondContact O-CD2 3.4Å; V212-Y216 PolarHBondContact O-N 3.46Å; V212-Y216 VanDerWaalsContact O-N 3.12Å
213R88.8Confident83.1Confident164 Ų16491.2 Ų91.262%0.61942%0.418SS*.Hα-helixtrans-57.8-48.6176.1-80172.5175.3174.8-4.2112.3R209 D210 R215 Y216 S217R209-R213 WeakPolarHBondContact O-CB 3.44Å; R209-R213 VanDerWaalsContact O-CG 3.23Å; R209-R213 WeakPolarHBondContact O-CG 3.34Å; R209-R213 PolarHBondContact O-N 3.18Å; D210-R213 PolarHBondContact O-N 3.49Å; R213-R215 PolarHBondContact O-N 3.11Å; R213-Y216 PolarHBondContact O-N 2.73Å; R213-S217 PolarHBondContact O-N 3.45Å; R213-S217 PolarHBondContact O-OG 3.48Å; R213-S217 VanDerWaalsContact O-OG 3.05Å
214R86.9Confident82.7Confident163 Ų16390.5 Ų90.562%0.61542%0.416SS*.Hα-helixtrans-56.4-35.6179.2-76.7172.5-172.5178.93.9112.5D210 S211 V212D210-R214 WeakPolarHBondContact O-CB 3.13Å; D210-R214 VanDerWaalsContact O-CG 3.23Å; D210-R214 WeakPolarHBondContact O-CG 3.46Å; D210-R214 PolarHBondContact O-N 2.8Å; S211-R214 PolarHBondContact O-N 2.76Å; V212-R214 PolarHBondContact O-N 2.77Å
215R81.4Confident82.1Confident65 Ų6596.1 Ų96.125%0.24544%0.442CS..Hα-helixtrans-71.9-49.7178.1-176.8174.6167.4-148.4-6.5112Q18 T19 D127 S211 V212 R213 S217 K218 N219Q18-R215 VanDerWaalsContact OE1-CD 3.29Å; T19-R215 PolarHBondContact OG1-NH1 3.34Å; T19-R215 PolarHBondContact OG1-NH2 2.98Å; D127-R215 IonicContact OD1-CZ 2.91Å; D127-R215 IonicContact OD1-NH1 3.44Å; D127-R215 PolarHBondContact OD1-NH1 2.81Å; D127-R215 IonicContact OD1-NH2 3.09Å; D127-R215 PolarHBondContact OD1-NH2 3.41Å; S211-R215 PolarHBondContact O-N 2.94Å; V212-R215 PolarHBondContact O-N 3.4Å; R213-R215 PolarHBondContact O-N 3.11Å; R215-S217 VanDerWaalsContact C-N 3.28Å; R215-S217 PolarHBondContact O-N 3.27Å; R215-K218 PolarHBondContact O-N 3.04Å; R215-K218 VanDerWaalsContact O-N 3.11Å; R215-N219 PolarHBondContact O-N 3.37Å
216Y78.6Confident81.4Confident132 Ų132101.5 Ų101.552%0.51847%0.467SS..Hα-helixtrans-64.7-32.2179.1-76.2-70.9000112.6V212 R213 K218 N219 L220V212-Y216 HydrophobicContact CG1-CD2 3.64Å; V212-Y216 HydrophobicContact CG1-CE2 3.52Å; V212-Y216 VanDerWaalsContact O-CD2 3.26Å; V212-Y216 WeakPolarHBondContact O-CD2 3.4Å; V212-Y216 PolarHBondContact O-N 3.46Å; V212-Y216 VanDerWaalsContact O-N 3.12Å; R213-Y216 PolarHBondContact O-N 2.73Å; Y216-K218 PolarHBondContact O-N 2.97Å; Y216-N219 PolarHBondContact O-N 2.85Å; Y216-L220 WeakPolarHBondContact O-CD1 3.1Å; Y216-L220 PolarHBondContact O-N 2.59Å
217S80.4Confident80.6Confident93 Ų93100.5 Ų100.565%0.6546%0.461SS*.Hα-helixtrans-65.7-18174.3-61.40000114.7R213 R215R213-S217 PolarHBondContact O-N 3.45Å; R213-S217 PolarHBondContact O-OG 3.48Å; R213-S217 VanDerWaalsContact O-OG 3.05Å; R215-S217 VanDerWaalsContact C-N 3.28Å; R215-S217 PolarHBondContact O-N 3.27Å
218K67.5Low79.8Confident174 Ų174105.8 Ų105.876%0.75749%0.486SS*.Hα-helixtrans-92.2-17.5175.7-70.8-179179.3-177.70113.3R215 Y216R215-K218 PolarHBondContact O-N 3.04Å; R215-K218 VanDerWaalsContact O-N 3.11Å; Y216-K218 PolarHBondContact O-N 2.97Å
219N56.7Low78.7Confident121 Ų121114.6 Ų114.665%0.64753%0.527SS*.Hα-helixtrans-102.3-5.9-176.7-72.8-23.6000113.2R215 Y216R215-N219 PolarHBondContact O-N 3.37Å; Y216-N219 PolarHBondContact O-N 2.85Å
220L45.3Very low77.6Confident200 Ų200111.6 Ų111.6100%1.04752%0.524SS*.  trans-93.40164-94.294.7000110Y216Y216-L220 WeakPolarHBondContact O-CD1 3.1Å; Y216-L220 PolarHBondContact O-N 2.59Å

Retrieved 220 of 220 residues in 326.8 ms (Link to these results)

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