A0A077Z6C7_TRITR Loading...

Zf-RING 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6C7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1M29.1Very low63.2Low236 Ų23686.4 Ų86.4100%1.16344%0.436SS*.  01050-71.9159.3139.100106.3R3M1-R3 PolarHBondContact O-N 3.12Å
2T27.3Very low65Low129 Ų12979.4 Ų79.479%0.79140%0.401SS*.  trans-56.1106.7167.6350000106D4T2-D4 PolarHBondContact O-N 3.01Å
3R40.3Very low66.4Low192 Ų19277.8 Ų77.873%0.72539%0.394SS*.  trans-64.394.9173.3-87.4-179.6156.4169.8-5.7104.9M1 G5 E143M1-R3 PolarHBondContact O-N 3.12Å; R3-G5 PolarHBondContact O-N 3.2Å; R3-E143 IonicContact NH2-OE1 3.21Å
4D50.1Low67.2Low89 Ų8973.6 Ų73.648%0.47637%0.373SS..  trans-49.8112.6165.7-76.5-26.3000105.6T2 L6 P35 N36T2-D4 PolarHBondContact O-N 3.01Å; D4-L6 PolarHBondContact O-N 3.29Å; D4-L6 VanDerWaalsContact O-N 3.08Å; D4-P35 HydrophobicContact CB-CG 3.79Å; D4-N36 PolarHBondContact OD2-ND2 3.3Å
5G63.9Low67.7Low50 Ų5071.9 Ų71.952%0.51537%0.365SS..PPolyproline II helixtrans-54.8120.4-169.500000109.1R3 Q7R3-G5 PolarHBondContact O-N 3.2Å; G5-Q7 PolarHBondContact O-N 3.03Å
6L71.5Confident68.1Low51 Ų5177.4 Ų77.427%0.26739%0.389SS..PPolyproline II helixtrans-56.1134.5175.7-71.3167.6000109.2D4 Q32 H34 V41D4-L6 PolarHBondContact O-N 3.29Å; D4-L6 VanDerWaalsContact O-N 3.08Å; L6-Q32 HydrophobicContact CB-CG 3.52Å; L6-Q32 VanDerWaalsContact CB-NE2 3.31Å; L6-Q32 VanDerWaalsContact CD1-CD 3.43Å; L6-Q32 HydrophobicContact CD1-CG 3.96Å; L6-Q32 VanDerWaalsContact CD1-NE2 3.25Å; L6-Q32 HydrophobicContact CD2-CG 4.44Å; L6-Q32 HydrophobicContact CG-CG 4.16Å; L6-H34 HydrophobicContact CD2-CB 4.42Å; L6-H34 WeakPolarHBondContact CD2-ND1 3.45Å; L6-V41 HydrophobicContact CD2-CG2 3.85Å
7Q77.3Confident68.5Low60 Ų6085.2 Ų85.228%0.2841%0.413SS..EExtended strand (participates in β ladder)trans-95.5144.6-178.3-72.2-178.6-8.600110.7G5 Q32 V33 P35G5-Q7 PolarHBondContact O-N 3.03Å; Q7-Q32 CarbonylContact O-C 3.53Å; Q7-Q32 WeakPolarHBondContact O-CA 3.3Å; Q7-V33 HydrophobicContact CB-CG2 4.12Å; Q7-V33 PolarHBondContact N-O 3.28Å; Q7-V33 WeakPolarHBondContact O-CG2 3.2Å; Q7-V33 PolarHBondContact O-N 3.22Å; Q7-P35 HydrophobicContact CG-CB 4.17Å
8I79.8Confident68.5Low15 Ų1583.8 Ų83.88%0.07741%0.407CS..EExtended strand (participates in β ladder)trans-84.1134.6167.2-61.9173.8000107.8M30 A31 L58 W146 P152I8-M30 HydrophobicContact CG2-CG 3.88Å; I8-M30 HydrophobicContact CG2-SD 4.2Å; I8-A31 CarbonylContact C-O 3.51Å; I8-A31 WeakPolarHBondContact CA-O 3.2Å; I8-L58 HydrophobicContact CD1-CD2 3.86Å; I8-L58 HydrophobicContact CG2-CD1 4.44Å; I8-W146 HydrophobicContact CD1-CB 4.41Å; I8-W146 HydrophobicContact CD1-CE3 4.18Å; I8-W146 HydrophobicContact CG1-CE3 4.32Å; I8-P152 HydrophobicContact CG2-CB 4.5Å; I8-P152 HydrophobicContact CG2-CG 4.19Å; I8-P152 WeakPolarHBondContact O-CB 3.42Å
9R83.8Confident68.6Low64 Ų6483.4 Ų83.424%0.24241%0.412CS..EExtended strand (participates in β ladder)trans-133.9152170.3-76-167.4-167163.611.1111.6Y11 A31 V33 D38R9-Y11 HydrophobicContact CB-CD2 4.46Å; R9-Y11 HydrophobicContact CB-CE2 3.67Å; R9-Y11 WeakPolarHBondContact CD-OH 3.45Å; R9-A31 PolarHBondContact N-O 3.07Å; R9-A31 PolarHBondContact O-N 3.06Å; R9-V33 HydrophobicContact CB-CG2 4.27Å; R9-V33 HydrophobicContact CG-CG2 3.81Å; R9-D38 IonicContact CZ-OD1 3.64Å; R9-D38 IonicContact CZ-OD2 2.8Å; R9-D38 IonicContact NH1-OD1 2.71Å; R9-D38 PolarHBondContact NH1-OD1 2.81Å; R9-D38 IonicContact NH1-OD2 3.12Å; R9-D38 PolarHBondContact NH1-OD2 3.47Å; R9-D38 IonicContact NH2-OD1 2.67Å; R9-D38 PolarHBondContact NH2-OD1 3.49Å; R9-D38 IonicContact NH2-OD2 3.69Å
10F86.7Confident68.6Low11 Ų1181.3 Ų81.35%0.04841%0.408CS..EExtended strand (participates in β ladder)trans-110.2136.9172.8-66.1-70.3000109.6V28 I29 M30 L46 F51 Y55 L58 P152 F157F10-V28 HydrophobicContact CB-CG1 4.05Å; F10-V28 HydrophobicContact CD1-CG1 3.72Å; F10-V28 HydrophobicContact CG-CG1 4.28Å; F10-I29 CarbonylContact C-O 3.59Å; F10-I29 VanDerWaalsContact CA-O 3.28Å; F10-I29 WeakPolarHBondContact CA-O 3.49Å; F10-M30 HydrophobicContact CD1-CB 3.88Å; F10-M30 HydrophobicContact CD1-CG 3.97Å; F10-M30 HydrophobicContact CE1-CB 3.63Å; F10-M30 HydrophobicContact CE1-CG 3.45Å; F10-M30 VanDerWaalsContact CE1-CG 3.45Å; F10-M30 HydrophobicContact CE1-SD 3.48Å; F10-M30 WeakPolarHBondContact CE1-SD 3.45Å; F10-M30 HydrophobicContact CZ-CG 4.09Å; F10-M30 HydrophobicContact CZ-SD 3.71Å; F10-L46 HydrophobicContact CE1-CD1 4.34Å; F10-F51 HydrophobicContact CB-CE2 4.29Å; F10-F51 AromaticContact CD1-CD2 3.72Å; F10-F51 HydrophobicContact CD1-CD2 3.72Å; F10-F51 AromaticContact CD1-CE2 3.72Å; F10-F51 HydrophobicContact CD1-CE2 3.72Å; F10-F51 AromaticContact CD2-CE2 3.81Å; F10-F51 HydrophobicContact CD2-CE2 3.81Å; F10-F51 AromaticContact CE1-CD2 3.67Å; F10-F51 HydrophobicContact CE1-CD2 3.67Å; F10-F51 AromaticContact CE1-CE2 3.86Å; F10-F51 HydrophobicContact CE1-CE2 3.86Å; F10-F51 AromaticContact CE2-CE2 3.96Å; F10-F51 HydrophobicContact CE2-CE2 3.96Å; F10-F51 HydrophobicContact CG-CD2 4.18Å; F10-F51 AromaticContact CG-CE2 3.68Å; F10-F51 HydrophobicContact CG-CE2 3.68Å; F10-F51 HydrophobicContact CZ-CD2 4.11Å; F10-F51 AromaticContact CZ-CE2 4Å; F10-F51 HydrophobicContact CZ-CE2 4Å; F10-Y55 HydrophobicContact CD2-CD2 4.32Å; F10-Y55 AromaticContact CE2-CD2 3.74Å; F10-Y55 HydrophobicContact CE2-CD2 3.74Å; F10-L58 HydrophobicContact CE2-CD1 3.84Å; F10-L58 HydrophobicContact CZ-CD1 3.7Å; F10-P152 HydrophobicContact CD2-CB 3.68Å; F10-P152 HydrophobicContact CD2-CG 3.55Å; F10-P152 HydrophobicContact CE2-CB 3.88Å; F10-P152 HydrophobicContact CE2-CG 3.19Å; F10-P152 HydrophobicContact CZ-CG 4.25Å; F10-F157 HydrophobicContact CB-CB 4.33Å; F10-F157 HydrophobicContact CB-CD2 3.52Å; F10-F157 HydrophobicContact CB-CE2 3.98Å; F10-F157 HydrophobicContact CB-CG 3.94Å
11Y86Confident68.6Low53 Ų5381.5 Ų81.521%0.20842%0.415CS..EExtended strand (participates in β ladder)trans-127.7149.7175.7-58-89.9000109.6R9 V28 I29 A31R9-Y11 HydrophobicContact CB-CD2 4.46Å; R9-Y11 HydrophobicContact CB-CE2 3.67Å; R9-Y11 WeakPolarHBondContact CD-OH 3.45Å; Y11-V28 CarbonylContact O-C 3.59Å; Y11-V28 WeakPolarHBondContact O-CA 3.4Å; Y11-I29 HydrophobicContact CD2-CG2 4.47Å; Y11-I29 PolarHBondContact N-O 3.4Å; Y11-I29 PolarHBondContact O-N 3.05Å; Y11-A31 HydrophobicContact CD2-CB 4.18Å; Y11-A31 HydrophobicContact CE2-CB 3.91Å
12V84.4Confident70.4Confident3 Ų376.4 Ų76.42%0.01838%0.384CS..EExtended strand (participates in β ladder)trans-89.1122.7176.81790000109L14 V26 F157 E160 Y161 R164V12-L14 HydrophobicContact CG1-CD2 4.09Å; V12-L14 HydrophobicContact CG1-CG 4.23Å; V12-V26 HydrophobicContact CG1-CG1 3.74Å; V12-F157 HydrophobicContact CG2-CD2 3.97Å; V12-F157 HydrophobicContact CG2-CE2 3.41Å; V12-F157 VanDerWaalsContact CG2-CE2 3.41Å; V12-F157 HydrophobicContact CG2-CZ 4.01Å; V12-E160 HydrophobicContact CB-CG 4.46Å; V12-E160 HydrophobicContact CG2-CG 4.37Å; V12-Y161 HydrophobicContact CG1-CD2 4.26Å; V12-Y161 HydrophobicContact CG2-CD2 3.93Å; V12-Y161 HydrophobicContact CG2-CG 4.33Å; V12-R164 PolarHBondContact O-NH1 3.22Å; V12-R164 VanDerWaalsContact O-NH1 3.14Å; V12-R164 PolarHBondContact O-NH2 2.91Å
13D83.7Confident72.3Confident59 Ų5971.8 Ų71.832%0.31635%0.353SS..EExtended strand (participates in β ladder)trans-110.7111177.6-176.329000109.2R27 I29D13-R27 HydrophobicContact CB-CB 4.11Å; D13-R27 PolarHBondContact N-O 2.9Å; D13-R27 PolarHBondContact O-N 3.37Å; D13-I29 HydrophobicContact CB-CD1 3.72Å; D13-I29 HydrophobicContact CB-CG1 3.8Å
14L76.8Confident73.3Confident19 Ų1967.9 Ų67.910%0.09934%0.342CS..  trans-103128.3175.5-61.5-177.1000107.7V12 E16 Q23 V26 R164 M165V12-L14 HydrophobicContact CG1-CD2 4.09Å; V12-L14 HydrophobicContact CG1-CG 4.23Å; L14-E16 VanDerWaalsContact C-N 3.35Å; L14-E16 PolarHBondContact O-N 3.25Å; L14-Q23 WeakPolarHBondContact CD2-O 3.48Å; L14-V26 HydrophobicContact CD2-CG1 4.42Å; L14-V26 HydrophobicContact CD2-CG2 3.87Å; L14-R164 HydrophobicContact CD1-CB 3.81Å; L14-M165 HydrophobicContact CD2-SD 4.24Å
15D74.3Confident74.1Confident48 Ų4870.4 Ų70.426%0.25735%0.349SS..  trans-75.191.9172.7-168-16.7000109.3R17 L18D15-R17 PolarHBondContact O-N 3.02Å; D15-R17 VanDerWaalsContact OD1-CB 3.25Å; D15-R17 WeakPolarHBondContact OD1-CB 3.2Å; D15-R17 WeakPolarHBondContact OD1-CG 3.44Å; D15-R17 IonicContact OD1-CZ 3.58Å; D15-R17 PolarHBondContact OD1-N 2.86Å; D15-R17 VanDerWaalsContact OD1-N 3.14Å; D15-R17 IonicContact OD1-NE 3.82Å; D15-R17 PolarHBondContact OD1-NE 3.26Å; D15-R17 IonicContact OD1-NH2 2.76Å; D15-R17 PolarHBondContact OD1-NH2 3.28Å; D15-R17 IonicContact OD2-CZ 3.56Å; D15-R17 IonicContact OD2-NE 2.8Å; D15-R17 IonicContact OD2-NH2 3.55Å; D15-R17 PolarHBondContact OD2-NH2 3.26Å; D15-L18 HydrophobicContact CB-CD1 3.88Å; D15-L18 HydrophobicContact CB-CG 3.96Å; D15-L18 WeakPolarHBondContact O-CB 3.19Å; D15-L18 PolarHBondContact O-N 2.73Å
16E74.7Confident74.5Confident159 Ų15968.7 Ų68.774%0.74333%0.329SS*.THydrogen-bonded Turntrans-59.6-15-179.2-62.6-175170.600113.4L14 L18L14-E16 VanDerWaalsContact C-N 3.35Å; L14-E16 PolarHBondContact O-N 3.25Å; E16-L18 VanDerWaalsContact C-N 3.27Å
17R75Confident75.1Confident211 Ų21173 Ų7380%0.79634%0.341SS*.THydrogen-bonded Turntrans-76.9-17.9175.8-53.4169.7-64.3179.33.2112D15D15-R17 PolarHBondContact O-N 3.02Å; D15-R17 VanDerWaalsContact OD1-CB 3.25Å; D15-R17 WeakPolarHBondContact OD1-CB 3.2Å; D15-R17 WeakPolarHBondContact OD1-CG 3.44Å; D15-R17 IonicContact OD1-CZ 3.58Å; D15-R17 PolarHBondContact OD1-N 2.86Å; D15-R17 VanDerWaalsContact OD1-N 3.14Å; D15-R17 IonicContact OD1-NE 3.82Å; D15-R17 PolarHBondContact OD1-NE 3.26Å; D15-R17 IonicContact OD1-NH2 2.76Å; D15-R17 PolarHBondContact OD1-NH2 3.28Å; D15-R17 IonicContact OD2-CZ 3.56Å; D15-R17 IonicContact OD2-NE 2.8Å; D15-R17 IonicContact OD2-NH2 3.55Å; D15-R17 PolarHBondContact OD2-NH2 3.26Å
18L68.5Low75.6Confident59 Ų5970.2 Ų70.231%0.30933%0.328SS..SBendtrans-84.1142.4177.1-63.5-179.6000110.2D15 E16 Q23 F25D15-L18 HydrophobicContact CB-CD1 3.88Å; D15-L18 HydrophobicContact CB-CG 3.96Å; D15-L18 WeakPolarHBondContact O-CB 3.19Å; D15-L18 PolarHBondContact O-N 2.73Å; E16-L18 VanDerWaalsContact C-N 3.27Å; L18-Q23 HydrophobicContact CB-CG 4.3Å; L18-Q23 VanDerWaalsContact O-CG 3.23Å; L18-Q23 WeakPolarHBondContact O-CG 3.42Å; L18-Q23 PolarHBondContact O-NE2 2.94Å; L18-F25 HydrophobicContact CD1-CD2 4.19Å
19P70.6Confident76.1Confident77 Ų7771.6 Ų71.650%0.534%0.335SS..  trans-58.7147.5171.4-18.427.9000110.9P21 Y22 Q23P19-P21 VanDerWaalsContact C-N 3.33Å; P19-P21 WeakPolarHBondContact O-CD 3.41Å; P19-Y22 HydrophobicContact CB-CD2 3.98Å; P19-Y22 HydrophobicContact CG-CD2 3.93Å; P19-Y22 HydrophobicContact CG-CE2 4.37Å; P19-Y22 WeakPolarHBondContact O-CA 3.3Å; P19-Y22 WeakPolarHBondContact O-CB 3.3Å; P19-Y22 PolarHBondContact O-N 3.45Å; P19-Q23 PolarHBondContact O-N 3.45Å
20A69.1Low76.4Confident41 Ų4168.6 Ų68.634%0.33932%0.324SS..G310 helixtrans-38.2-44.9-176.400000116.5Y22 Q23 F24A20-Y22 PolarHBondContact O-N 3.32Å; A20-Q23 PolarHBondContact O-N 3.43Å; A20-F24 WeakPolarHBondContact O-CD2 3.32Å; A20-F24 WeakPolarHBondContact O-CE2 3.42Å
21P67.7Low76.4Confident85 Ų8568.1 Ų68.155%0.55232%0.322SS*.G310 helixtrans-68.9-14.4177.927.5-36.5000114.8P19 F24P19-P21 VanDerWaalsContact C-N 3.33Å; P19-P21 WeakPolarHBondContact O-CD 3.41Å; P21-F24 VanDerWaalsContact C-CD2 3.46Å; P21-F24 WeakPolarHBondContact O-CD2 3.28Å
22Y67.6Low76.3Confident130 Ų13066.2 Ų66.251%0.5132%0.315SS..G310 helixtrans-104.6-10.1177.5-56.1-72.1000112.7P19 A20 F24 F25P19-Y22 HydrophobicContact CB-CD2 3.98Å; P19-Y22 HydrophobicContact CG-CD2 3.93Å; P19-Y22 HydrophobicContact CG-CE2 4.37Å; P19-Y22 WeakPolarHBondContact O-CA 3.3Å; P19-Y22 WeakPolarHBondContact O-CB 3.3Å; P19-Y22 PolarHBondContact O-N 3.45Å; A20-Y22 PolarHBondContact O-N 3.32Å; Y22-F24 PolarHBondContact O-N 3.21Å; Y22-F24 VanDerWaalsContact O-N 3.14Å; Y22-F25 HydrophobicContact CD1-CE2 4.09Å; Y22-F25 WeakPolarHBondContact O-CD2 3.38Å; Y22-F25 PolarHBondContact O-N 2.74Å; Y22-F25 VanDerWaalsContact O-N 3.1Å
23Q66.8Low76.3Confident31 Ų3166 Ų6615%0.14531%0.314CS..THydrogen-bonded Turntrans-64-14.3169.5-63-171.94.900111.8L14 L18 P19 A20 F25 D168L14-Q23 WeakPolarHBondContact CD2-O 3.48Å; L18-Q23 HydrophobicContact CB-CG 4.3Å; L18-Q23 VanDerWaalsContact O-CG 3.23Å; L18-Q23 WeakPolarHBondContact O-CG 3.42Å; L18-Q23 PolarHBondContact O-NE2 2.94Å; P19-Q23 PolarHBondContact O-N 3.45Å; A20-Q23 PolarHBondContact O-N 3.43Å; Q23-F25 PolarHBondContact O-N 3.13Å; Q23-F25 VanDerWaalsContact O-N 3.12Å; Q23-D168 PolarHBondContact OE1-OD2 3.39Å
24F61.1Low76.2Confident110 Ų11067.2 Ų67.248%0.48232%0.317SS..THydrogen-bonded Turntrans-60.2-12.1168.4-68.6-96.5000114.6A20 P21 Y22 V26 M165A20-F24 WeakPolarHBondContact O-CD2 3.32Å; A20-F24 WeakPolarHBondContact O-CE2 3.42Å; P21-F24 VanDerWaalsContact C-CD2 3.46Å; P21-F24 WeakPolarHBondContact O-CD2 3.28Å; Y22-F24 PolarHBondContact O-N 3.21Å; Y22-F24 VanDerWaalsContact O-N 3.14Å; F24-V26 PolarHBondContact O-N 3.37Å; F24-M165 HydrophobicContact CD1-CE 3.22Å; F24-M165 HydrophobicContact CE1-CE 3.33Å; F24-M165 HydrophobicContact CG-CE 3.88Å; F24-M165 HydrophobicContact CZ-CE 4.09Å
25F67.4Low76.1Confident142 Ų14267.8 Ų67.862%0.62332%0.322SS*.SBendtrans-72.565.8164.9-65.1-64.3000109.7L18 Y22 Q23 R27L18-F25 HydrophobicContact CD1-CD2 4.19Å; Y22-F25 HydrophobicContact CD1-CE2 4.09Å; Y22-F25 WeakPolarHBondContact O-CD2 3.38Å; Y22-F25 PolarHBondContact O-N 2.74Å; Y22-F25 VanDerWaalsContact O-N 3.1Å; Q23-F25 PolarHBondContact O-N 3.13Å; Q23-F25 VanDerWaalsContact O-N 3.12Å; F25-R27 PolarHBondContact O-N 2.9Å
26V71.1Confident76.2Confident15 Ų1571.6 Ų71.69%0.09134%0.343CS..  trans-66.1118.1-178.2-176.60000108.5V12 L14 F24 Y161 M165V12-V26 HydrophobicContact CG1-CG1 3.74Å; L14-V26 HydrophobicContact CD2-CG1 4.42Å; L14-V26 HydrophobicContact CD2-CG2 3.87Å; F24-V26 PolarHBondContact O-N 3.37Å; V26-Y161 HydrophobicContact CB-CE2 4.06Å; V26-Y161 HydrophobicContact CG1-CD2 4.11Å; V26-Y161 HydrophobicContact CG1-CE2 3.7Å; V26-Y161 HydrophobicContact CG2-CE2 3.81Å; V26-M165 HydrophobicContact CG2-SD 3.76Å
27R86.1Confident76.7Confident142 Ų14268 Ų6854%0.53633%0.332SS..EExtended strand (participates in β ladder)trans-92.1149.1163.3-64.9-169.9174.7-124.70.9108.3D13 F25 S45 L46D13-R27 HydrophobicContact CB-CB 4.11Å; D13-R27 PolarHBondContact N-O 2.9Å; D13-R27 PolarHBondContact O-N 3.37Å; F25-R27 PolarHBondContact O-N 2.9Å; R27-S45 VanDerWaalsContact CD-OG 3.3Å; R27-S45 WeakPolarHBondContact CD-OG 3.44Å; R27-L46 CarbonylContact C-O 3.58Å; R27-L46 WeakPolarHBondContact CA-O 3.04Å
28V87.5Confident77Confident1 Ų161.7 Ų61.71%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-112.3122.2174.6-1790000107.6F10 Y11 L46 F51 F157F10-V28 HydrophobicContact CB-CG1 4.05Å; F10-V28 HydrophobicContact CD1-CG1 3.72Å; F10-V28 HydrophobicContact CG-CG1 4.28Å; Y11-V28 CarbonylContact O-C 3.59Å; Y11-V28 WeakPolarHBondContact O-CA 3.4Å; V28-L46 HydrophobicContact CB-CB 4.45Å; V28-L46 PolarHBondContact N-O 3.47Å; V28-L46 WeakPolarHBondContact O-CA 3.07Å; V28-L46 WeakPolarHBondContact O-CB 3.37Å; V28-L46 PolarHBondContact O-N 2.66Å; V28-F51 HydrophobicContact CB-CB 4.02Å; V28-F51 HydrophobicContact CB-CD2 4.19Å; V28-F51 HydrophobicContact CB-CG 4.11Å; V28-F51 HydrophobicContact CG1-CB 4.36Å; V28-F51 HydrophobicContact CG1-CD2 3.6Å; V28-F51 HydrophobicContact CG1-CE2 4.1Å; V28-F51 HydrophobicContact CG1-CG 4.03Å; V28-F51 HydrophobicContact CG2-CB 4Å; V28-F51 HydrophobicContact CG2-CD1 4.21Å; V28-F51 HydrophobicContact CG2-CD2 4.32Å; V28-F51 HydrophobicContact CG2-CG 3.9Å; V28-F157 HydrophobicContact CG1-CE2 3.74Å; V28-F157 HydrophobicContact CG1-CZ 3.95Å; V28-F157 HydrophobicContact CG2-CE2 4.21Å; V28-F157 HydrophobicContact CG2-CZ 3.79Å
29I89.3Confident77.9Confident43 Ų4362.3 Ų62.322%0.22132%0.32CS..EExtended strand (participates in β ladder)trans-85.5118171.6-67.3170.1000107.7F10 Y11 D13 A31 A43 S44F10-I29 CarbonylContact C-O 3.59Å; F10-I29 VanDerWaalsContact CA-O 3.28Å; F10-I29 WeakPolarHBondContact CA-O 3.49Å; Y11-I29 HydrophobicContact CD2-CG2 4.47Å; Y11-I29 PolarHBondContact N-O 3.4Å; Y11-I29 PolarHBondContact O-N 3.05Å; D13-I29 HydrophobicContact CB-CD1 3.72Å; D13-I29 HydrophobicContact CB-CG1 3.8Å; I29-A31 HydrophobicContact CG2-CB 4.17Å; I29-A43 HydrophobicContact CG2-CB 3.75Å; I29-S44 WeakPolarHBondContact CA-O 3.21Å
30M89.5Confident78.7Confident2 Ų263 Ų631%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-92.1118.1164.7-171.3166.471.900108.2I8 F10 A43 S44 L46 H54 T110 C114 W146I8-M30 HydrophobicContact CG2-CG 3.88Å; I8-M30 HydrophobicContact CG2-SD 4.2Å; F10-M30 HydrophobicContact CD1-CB 3.88Å; F10-M30 HydrophobicContact CD1-CG 3.97Å; F10-M30 HydrophobicContact CE1-CB 3.63Å; F10-M30 HydrophobicContact CE1-CG 3.45Å; F10-M30 VanDerWaalsContact CE1-CG 3.45Å; F10-M30 HydrophobicContact CE1-SD 3.48Å; F10-M30 WeakPolarHBondContact CE1-SD 3.45Å; F10-M30 HydrophobicContact CZ-CG 4.09Å; F10-M30 HydrophobicContact CZ-SD 3.71Å; M30-A43 CarbonylContact O-C 3.47Å; M30-A43 WeakPolarHBondContact O-CA 3.33Å; M30-S44 PolarHBondContact N-O 2.83Å; M30-S44 PolarHBondContact O-N 3.5Å; M30-L46 HydrophobicContact CB-CD1 3.78Å; M30-L46 HydrophobicContact CB-CG 4.38Å; M30-L46 HydrophobicContact SD-CD1 4.37Å; M30-H54 HydrophobicContact SD-CB 4.28Å; M30-T110 HydrophobicContact CE-CG2 3.94Å; M30-C114 HydrophobicContact CE-CB 3.71Å; M30-C114 WeakPolarHBondContact CE-SG 3.35Å; M30-W146 HydrophobicContact CE-CE3 4.26Å; M30-W146 HydrophobicContact CE-CH2 4.38Å; M30-W146 HydrophobicContact CE-CZ3 3.49Å; M30-W146 VanDerWaalsContact CE-CZ3 3.49Å; M30-W146 HydrophobicContact CG-CZ3 4.08Å; M30-W146 HydrophobicContact SD-CZ3 4.28Å
31A87.4Confident79.4Confident0 Ų064.8 Ų64.80%033%0.325CS..EExtended strand (participates in β ladder)trans-127.1145.9-176.200000112.2I8 R9 Y11 I29 V33 I40 H42 A43I8-A31 CarbonylContact C-O 3.51Å; I8-A31 WeakPolarHBondContact CA-O 3.2Å; R9-A31 PolarHBondContact N-O 3.07Å; R9-A31 PolarHBondContact O-N 3.06Å; Y11-A31 HydrophobicContact CD2-CB 4.18Å; Y11-A31 HydrophobicContact CE2-CB 3.91Å; I29-A31 HydrophobicContact CG2-CB 4.17Å; A31-V33 HydrophobicContact CB-CG1 4.47Å; A31-I40 HydrophobicContact CB-CD1 4.36Å; A31-I40 HydrophobicContact CB-CG1 4.19Å; A31-I40 HydrophobicContact CB-CG2 4.06Å; A31-H42 CarbonylContact C-O 3.55Å; A31-H42 WeakPolarHBondContact CA-O 3.31Å; A31-A43 HydrophobicContact CB-CB 4.05Å
32Q83Confident80.2Confident13 Ų1363.2 Ų63.26%0.06131%0.31CS..EExtended strand (participates in β ladder)trans-94.3120.3168.4-171177.836.200108.4L6 Q7 V41 H42 W146L6-Q32 HydrophobicContact CB-CG 3.52Å; L6-Q32 VanDerWaalsContact CB-NE2 3.31Å; L6-Q32 VanDerWaalsContact CD1-CD 3.43Å; L6-Q32 HydrophobicContact CD1-CG 3.96Å; L6-Q32 VanDerWaalsContact CD1-NE2 3.25Å; L6-Q32 HydrophobicContact CD2-CG 4.44Å; L6-Q32 HydrophobicContact CG-CG 4.16Å; Q7-Q32 CarbonylContact O-C 3.53Å; Q7-Q32 WeakPolarHBondContact O-CA 3.3Å; Q32-V41 PolarHBondContact O-N 2.84Å; Q32-H42 PolarHBondContact N-O 3.36Å; Q32-W146 HydrophobicContact CB-CZ2 3.86Å; Q32-W146 VanDerWaalsContact CD-NE1 3.26Å; Q32-W146 VanDerWaalsContact OE1-CD1 3.27Å
33V84.8Confident81.2Confident0 Ų059.2 Ų59.20%030%0.304CS..EExtended strand (participates in β ladder)trans-122.7146.1-175.1-68.40000112.1Q7 R9 A31 T39 I40Q7-V33 HydrophobicContact CB-CG2 4.12Å; Q7-V33 PolarHBondContact N-O 3.28Å; Q7-V33 WeakPolarHBondContact O-CG2 3.2Å; Q7-V33 PolarHBondContact O-N 3.22Å; R9-V33 HydrophobicContact CB-CG2 4.27Å; R9-V33 HydrophobicContact CG-CG2 3.81Å; A31-V33 HydrophobicContact CB-CG1 4.47Å; V33-T39 VanDerWaalsContact CA-O 3.29Å; V33-T39 WeakPolarHBondContact CA-O 3.31Å; V33-I40 HydrophobicContact CG1-CB 4.43Å; V33-I40 HydrophobicContact CG1-CG1 3.69Å
34H81.6Confident82.2Confident83 Ų8358.8 Ų58.838%0.38431%0.305SS..  trans-67.3127.3167.1-78.5-74.1000110.3L6 N36 T37 D38 T39 V41L6-H34 HydrophobicContact CD2-CB 4.42Å; L6-H34 WeakPolarHBondContact CD2-ND1 3.45Å; H34-N36 PolarHBondContact O-N 2.76Å; H34-N36 VanDerWaalsContact O-N 3.1Å; H34-T37 VanDerWaalsContact CB-OG1 3.24Å; H34-T37 WeakPolarHBondContact CB-OG1 3.49Å; H34-T37 PolarHBondContact O-N 3.35Å; H34-D38 WeakPolarHBondContact O-CA 3.03Å; H34-D38 PolarHBondContact O-N 3.3Å; H34-T39 PolarHBondContact CD2-OG1 3.43Å; H34-T39 PolarHBondContact N-O 2.84Å; H34-V41 VanDerWaalsContact CD2-CG2 3.41Å; H34-V41 WeakPolarHBondContact CD2-CG2 3.41Å; H34-V41 WeakPolarHBondContact NE2-CG2 3.27Å
35P75.3Confident83.5Confident31 Ų3156 Ų5620%0.20130%0.299CS..THydrogen-bonded Turntrans-62-25.8-171.320.6-31.6000114.2D4 Q7D4-P35 HydrophobicContact CB-CG 3.79Å; Q7-P35 HydrophobicContact CG-CB 4.17Å
36N76.9Confident84.5Confident128 Ų12849.5 Ų49.568%0.68427%0.27SS*.THydrogen-bonded Turntrans-98.1-22.3-174.9-58.7-11.6000113.3D4 H34D4-N36 PolarHBondContact OD2-ND2 3.3Å; H34-N36 PolarHBondContact O-N 2.76Å; H34-N36 VanDerWaalsContact O-N 3.1Å
37T85.4Confident85.2Confident85 Ų8552.3 Ų52.352%0.52129%0.285SS..THydrogen-bonded Turntrans-118.8-8.7-171.560.90000113.2H34 T39H34-T37 VanDerWaalsContact CB-OG1 3.24Å; H34-T37 WeakPolarHBondContact CB-OG1 3.49Å; H34-T37 PolarHBondContact O-N 3.35Å; T37-T39 PolarHBondContact O-N 3.32Å; T37-T39 PolarHBondContact OG1-N 3.36Å; T37-T39 PolarHBondContact OG1-OG1 3.06Å
38D80.8Confident85Confident77 Ų7751.3 Ų51.341%0.41229%0.285SS..  trans54.613.8-172.2-72.50.2000114.3R9 H34 I40R9-D38 IonicContact CZ-OD1 3.64Å; R9-D38 IonicContact CZ-OD2 2.8Å; R9-D38 IonicContact NH1-OD1 2.71Å; R9-D38 PolarHBondContact NH1-OD1 2.81Å; R9-D38 IonicContact NH1-OD2 3.12Å; R9-D38 PolarHBondContact NH1-OD2 3.47Å; R9-D38 IonicContact NH2-OD1 2.67Å; R9-D38 PolarHBondContact NH2-OD1 3.49Å; R9-D38 IonicContact NH2-OD2 3.69Å; H34-D38 WeakPolarHBondContact O-CA 3.03Å; H34-D38 PolarHBondContact O-N 3.3Å; D38-I40 PolarHBondContact O-N 2.65Å
39T86.6Confident84.7Confident72 Ų7255.6 Ų55.644%0.44230%0.301SS..  trans-69.1123.3178.751.10000109.3V33 H34 T37 V41V33-T39 VanDerWaalsContact CA-O 3.29Å; V33-T39 WeakPolarHBondContact CA-O 3.31Å; H34-T39 PolarHBondContact CD2-OG1 3.43Å; H34-T39 PolarHBondContact N-O 2.84Å; T37-T39 PolarHBondContact O-N 3.32Å; T37-T39 PolarHBondContact OG1-N 3.36Å; T37-T39 PolarHBondContact OG1-OG1 3.06Å; T39-V41 PolarHBondContact O-N 3.33Å
40I87.4Confident84.6Confident93 Ų9357.3 Ų57.348%0.47731%0.309SS..EExtended strand (participates in β ladder)trans-73.2121176.9-64.8172000108.3A31 V33 D38 A43A31-I40 HydrophobicContact CB-CD1 4.36Å; A31-I40 HydrophobicContact CB-CG1 4.19Å; A31-I40 HydrophobicContact CB-CG2 4.06Å; V33-I40 HydrophobicContact CG1-CB 4.43Å; V33-I40 HydrophobicContact CG1-CG1 3.69Å; D38-I40 PolarHBondContact O-N 2.65Å; I40-A43 HydrophobicContact CG2-CB 3.87Å
41V84.2Confident84.4Confident77 Ų7758 Ų5847%0.46731%0.311SS..EExtended strand (participates in β ladder)trans-89.5-45.4174.6-176.90000109.7L6 Q32 H34 T39L6-V41 HydrophobicContact CD2-CG2 3.85Å; Q32-V41 PolarHBondContact O-N 2.84Å; H34-V41 VanDerWaalsContact CD2-CG2 3.41Å; H34-V41 WeakPolarHBondContact CD2-CG2 3.41Å; H34-V41 WeakPolarHBondContact NE2-CG2 3.27Å; T39-V41 PolarHBondContact O-N 3.33Å
42H84.2Confident84.2Confident53 Ų5362.6 Ų62.625%0.24533%0.329CS..EExtended strand (participates in β ladder)trans-143.4144.2175.1-165.2-54.9000109.8A31 Q32 P112 W146A31-H42 CarbonylContact C-O 3.55Å; A31-H42 WeakPolarHBondContact CA-O 3.31Å; Q32-H42 PolarHBondContact N-O 3.36Å; H42-P112 HydrophobicContact CB-CB 4.21Å; H42-P112 WeakPolarHBondContact CD2-CB 3.38Å; H42-P112 WeakPolarHBondContact CE1-CB 3.33Å; H42-P112 PolarHBondContact CE1-O 3.27Å; H42-P112 WeakPolarHBondContact NE2-CB 3.49Å; H42-W146 HydrophobicContact CB-CZ2 4.04Å
43A88.2Confident84.2Confident45 Ų4565.2 Ų65.237%0.37234%0.34SS..EExtended strand (participates in β ladder)trans-136.3146.9174.900000110.8I29 M30 A31 I40I29-A43 HydrophobicContact CG2-CB 3.75Å; M30-A43 CarbonylContact O-C 3.47Å; M30-A43 WeakPolarHBondContact O-CA 3.33Å; A31-A43 HydrophobicContact CB-CB 4.05Å; I40-A43 HydrophobicContact CG2-CB 3.87Å
44S88.6Confident84.1Confident23 Ų2365.8 Ų65.816%0.16134%0.343CS..EExtended strand (participates in β ladder)trans-134.8139.3171.9-84.20000109.8I29 M30 P112 C114I29-S44 WeakPolarHBondContact CA-O 3.21Å; M30-S44 PolarHBondContact N-O 2.83Å; M30-S44 PolarHBondContact O-N 3.5Å; S44-P112 WeakPolarHBondContact CB-O 3.34Å; S44-P112 PolarHBondContact OG-O 3.02Å; S44-C114 WeakPolarHBondContact CB-SG 3.47Å
45S89.1Confident84.1Confident52 Ų5263.9 Ų63.936%0.36433%0.332SS..EExtended strand (participates in β ladder)trans-90.4128.3179.3-1740000109.7R27R27-S45 VanDerWaalsContact CD-OG 3.3Å; R27-S45 WeakPolarHBondContact CD-OG 3.44Å
46L87.6Confident84.3Confident5 Ų562.6 Ų62.63%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-117141.1-177.7-56.5-179.6000109.6F10 R27 V28 M30 Q50 F51 C114F10-L46 HydrophobicContact CE1-CD1 4.34Å; R27-L46 CarbonylContact C-O 3.58Å; R27-L46 WeakPolarHBondContact CA-O 3.04Å; V28-L46 HydrophobicContact CB-CB 4.45Å; V28-L46 PolarHBondContact N-O 3.47Å; V28-L46 WeakPolarHBondContact O-CA 3.07Å; V28-L46 WeakPolarHBondContact O-CB 3.37Å; V28-L46 PolarHBondContact O-N 2.66Å; M30-L46 HydrophobicContact CB-CD1 3.78Å; M30-L46 HydrophobicContact CB-CG 4.38Å; M30-L46 HydrophobicContact SD-CD1 4.37Å; L46-Q50 HydrophobicContact CB-CB 3.99Å; L46-Q50 HydrophobicContact CD2-CB 4Å; L46-Q50 HydrophobicContact CG-CB 4.48Å; L46-F51 HydrophobicContact CB-CB 4.36Å; L46-F51 HydrophobicContact CD1-CB 4.43Å; L46-C114 HydrophobicContact CD2-CB 4.14Å
47D85.8Confident84.4Confident73 Ų7356.6 Ų56.639%0.3929%0.292SS..  trans-72.9171.5158.16944.2000110.7Y49 Q50 F51D47-Y49 VanDerWaalsContact C-N 3.26Å; D47-Y49 PolarHBondContact O-N 2.91Å; D47-Y49 WeakPolarHBondContact OD1-CA 3.41Å; D47-Y49 VanDerWaalsContact OD1-CB 3.32Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.45Å; D47-Y49 PolarHBondContact OD1-N 3.28Å; D47-Q50 PolarHBondContact O-N 3.13Å; D47-Q50 WeakPolarHBondContact OD1-CG 3.27Å; D47-Q50 PolarHBondContact OD1-N 2.8Å; D47-F51 WeakPolarHBondContact O-CB 3.27Å; D47-F51 PolarHBondContact O-N 3.01Å
48F80.9Confident84.1Confident122 Ų12252.7 Ų52.754%0.53527%0.268SS..Hα-helixtrans-61.6-33.2-178.1-170.6-102.8000113.4F51 R52F48-F51 HydrophobicContact CD2-CD1 4.34Å; F48-F51 HydrophobicContact CE2-CD1 4.37Å; F48-R52 WeakPolarHBondContact O-CB 3.3Å; F48-R52 PolarHBondContact O-N 2.82Å
49Y81.7Confident83.9Confident90 Ų9049.6 Ų49.635%0.35325%0.253SS..Hα-helixtrans-69.8-47.1178.8173.9-91.4000110.7D47 R52 K53 E76D47-Y49 VanDerWaalsContact C-N 3.26Å; D47-Y49 PolarHBondContact O-N 2.91Å; D47-Y49 WeakPolarHBondContact OD1-CA 3.41Å; D47-Y49 VanDerWaalsContact OD1-CB 3.32Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.45Å; D47-Y49 PolarHBondContact OD1-N 3.28Å; Y49-R52 PolarHBondContact O-N 2.72Å; Y49-K53 PolarHBondContact O-N 3.37Å; Y49-E76 PolarHBondContact OH-OE1 2.91Å
50Q86.6Confident83.2Confident80 Ų8046.4 Ų46.437%0.37423%0.233SC..Hα-helixtrans-60.1-46.1175.3-66.4174.1-34.600110.9L46 D47 R52 K53 H54L46-Q50 HydrophobicContact CB-CB 3.99Å; L46-Q50 HydrophobicContact CD2-CB 4Å; L46-Q50 HydrophobicContact CG-CB 4.48Å; D47-Q50 PolarHBondContact O-N 3.13Å; D47-Q50 WeakPolarHBondContact OD1-CG 3.27Å; D47-Q50 PolarHBondContact OD1-N 2.8Å; Q50-R52 PolarHBondContact O-N 3.26Å; Q50-K53 PolarHBondContact O-N 2.65Å; Q50-H54 PolarHBondContact O-CD2 2.87Å; Q50-H54 PolarHBondContact O-N 2.98Å
51F85.3Confident82.3Confident15 Ų1547 Ų477%0.06623%0.23CC..Hα-helixtrans-55.5-51.4174.3166.1-111.9000111.8F10 V28 L46 D47 F48 K53 H54 Y55 L154 F157F10-F51 HydrophobicContact CB-CE2 4.29Å; F10-F51 AromaticContact CD1-CD2 3.72Å; F10-F51 HydrophobicContact CD1-CD2 3.72Å; F10-F51 AromaticContact CD1-CE2 3.72Å; F10-F51 HydrophobicContact CD1-CE2 3.72Å; F10-F51 AromaticContact CD2-CE2 3.81Å; F10-F51 HydrophobicContact CD2-CE2 3.81Å; F10-F51 AromaticContact CE1-CD2 3.67Å; F10-F51 HydrophobicContact CE1-CD2 3.67Å; F10-F51 AromaticContact CE1-CE2 3.86Å; F10-F51 HydrophobicContact CE1-CE2 3.86Å; F10-F51 AromaticContact CE2-CE2 3.96Å; F10-F51 HydrophobicContact CE2-CE2 3.96Å; F10-F51 HydrophobicContact CG-CD2 4.18Å; F10-F51 AromaticContact CG-CE2 3.68Å; F10-F51 HydrophobicContact CG-CE2 3.68Å; F10-F51 HydrophobicContact CZ-CD2 4.11Å; F10-F51 AromaticContact CZ-CE2 4Å; F10-F51 HydrophobicContact CZ-CE2 4Å; V28-F51 HydrophobicContact CB-CB 4.02Å; V28-F51 HydrophobicContact CB-CD2 4.19Å; V28-F51 HydrophobicContact CB-CG 4.11Å; V28-F51 HydrophobicContact CG1-CB 4.36Å; V28-F51 HydrophobicContact CG1-CD2 3.6Å; V28-F51 HydrophobicContact CG1-CE2 4.1Å; V28-F51 HydrophobicContact CG1-CG 4.03Å; V28-F51 HydrophobicContact CG2-CB 4Å; V28-F51 HydrophobicContact CG2-CD1 4.21Å; V28-F51 HydrophobicContact CG2-CD2 4.32Å; V28-F51 HydrophobicContact CG2-CG 3.9Å; L46-F51 HydrophobicContact CB-CB 4.36Å; L46-F51 HydrophobicContact CD1-CB 4.43Å; D47-F51 WeakPolarHBondContact O-CB 3.27Å; D47-F51 PolarHBondContact O-N 3.01Å; F48-F51 HydrophobicContact CD2-CD1 4.34Å; F48-F51 HydrophobicContact CE2-CD1 4.37Å; F51-K53 VanDerWaalsContact C-N 3.27Å; F51-K53 PolarHBondContact O-N 3.22Å; F51-H54 PolarHBondContact O-N 2.67Å; F51-Y55 HydrophobicContact CE2-CD2 4.31Å; F51-Y55 HydrophobicContact CE2-CG 4.39Å; F51-Y55 HydrophobicContact CZ-CD2 4.39Å; F51-Y55 HydrophobicContact CZ-CG 4.29Å; F51-Y55 VanDerWaalsContact O-CB 3.27Å; F51-Y55 WeakPolarHBondContact O-CB 3.33Å; F51-Y55 PolarHBondContact O-N 3.46Å; F51-L154 HydrophobicContact CZ-CD1 4.02Å; F51-F157 AromaticContact CE1-CE1 3.67Å; F51-F157 HydrophobicContact CE1-CE1 3.67Å; F51-F157 HydrophobicContact CE1-CZ 4.13Å; F51-F157 HydrophobicContact CE2-CD1 4.48Å; F51-F157 HydrophobicContact CE2-CE1 4.09Å; F51-F157 HydrophobicContact CE2-CZ 4.26Å; F51-F157 AromaticContact CZ-CD1 3.84Å; F51-F157 HydrophobicContact CZ-CD1 3.84Å; F51-F157 AromaticContact CZ-CE1 3.35Å; F51-F157 HydrophobicContact CZ-CE1 3.35Å; F51-F157 AromaticContact CZ-CZ 3.9Å; F51-F157 HydrophobicContact CZ-CZ 3.9Å
52R83.2Confident81.6Confident98 Ų9846.7 Ų46.737%0.3723%0.225SC..Hα-helixtrans-58-41.8-179.3-171.4-179.572153.17.1111.8F48 Y49 Q50 A56 D72 A73F48-R52 WeakPolarHBondContact O-CB 3.3Å; F48-R52 PolarHBondContact O-N 2.82Å; Y49-R52 PolarHBondContact O-N 2.72Å; Q50-R52 PolarHBondContact O-N 3.26Å; R52-A56 VanDerWaalsContact O-CB 3.26Å; R52-A56 WeakPolarHBondContact O-CB 3.38Å; R52-A56 PolarHBondContact O-N 3.25Å; R52-D72 PolarHBondContact NH2-O 3.32Å; R52-A73 HydrophobicContact CG-CB 3.96Å; R52-A73 PolarHBondContact NH2-O 3.14Å
53K83.2Confident81Confident67 Ų6748 Ų4829%0.29123%0.234SC..Hα-helixtrans-63.3-51.4177.3-176.3-175.7169.2-171.90111.6Y49 Q50 F51 A56 L57 T74 M97Y49-K53 PolarHBondContact O-N 3.37Å; Q50-K53 PolarHBondContact O-N 2.65Å; F51-K53 VanDerWaalsContact C-N 3.27Å; F51-K53 PolarHBondContact O-N 3.22Å; K53-A56 PolarHBondContact O-N 3.25Å; K53-L57 PolarHBondContact O-N 2.71Å; K53-T74 HydrophobicContact CG-CG2 4.43Å; K53-M97 HydrophobicContact CG-CE 4.37Å
54H83.3Confident80.1Confident13 Ų1353.7 Ų53.76%0.0625%0.251CS..Hα-helixtrans-63.1-43.7179.5-78.2-54.3000112.5M30 Q50 F51 A56 L57 L58 C114 E116M30-H54 HydrophobicContact SD-CB 4.28Å; Q50-H54 PolarHBondContact O-CD2 2.87Å; Q50-H54 PolarHBondContact O-N 2.98Å; F51-H54 PolarHBondContact O-N 2.67Å; H54-A56 VanDerWaalsContact C-N 3.35Å; H54-A56 PolarHBondContact O-N 2.88Å; H54-L57 PolarHBondContact O-N 3.42Å; H54-L58 WeakPolarHBondContact O-CG 3.34Å; H54-L58 PolarHBondContact O-N 3.43Å; H54-C114 PolarHBondContact CE1-O 3.15Å; H54-C114 WeakPolarHBondContact NE2-CB 3.24Å; H54-C114 PolarHBondContact NE2-O 3.17Å; H54-E116 VanDerWaalsContact CE1-CD 3.44Å; H54-E116 IonicContact CE1-OE1 3.96Å; H54-E116 PolarHBondContact CE1-OE1 2.68Å; H54-E116 IonicContact CG-OE1 2.68Å; H54-E116 IonicContact ND1-OE1 3.05Å; H54-E116 PolarHBondContact ND1-OE1 3.35Å
55Y81.6Confident79.2Confident42 Ų4256.3 Ų56.317%0.16527%0.269CS..Hα-helixtrans-61.8-44.4178.6-173.7-97000111.5F10 F51 L57 L58 C59 L154F10-Y55 HydrophobicContact CD2-CD2 4.32Å; F10-Y55 AromaticContact CE2-CD2 3.74Å; F10-Y55 HydrophobicContact CE2-CD2 3.74Å; F51-Y55 HydrophobicContact CE2-CD2 4.31Å; F51-Y55 HydrophobicContact CE2-CG 4.39Å; F51-Y55 HydrophobicContact CZ-CD2 4.39Å; F51-Y55 HydrophobicContact CZ-CG 4.29Å; F51-Y55 VanDerWaalsContact O-CB 3.27Å; F51-Y55 WeakPolarHBondContact O-CB 3.33Å; F51-Y55 PolarHBondContact O-N 3.46Å; Y55-L57 VanDerWaalsContact C-N 3.32Å; Y55-L57 PolarHBondContact O-N 3.2Å; Y55-L58 PolarHBondContact O-N 2.78Å; Y55-C59 WeakPolarHBondContact CE1-SG 3.36Å; Y55-C59 PolarHBondContact O-N 3.27Å; Y55-C59 PolarHBondContact O-SG 3.08Å; Y55-C59 PolarHBondContact OH-SG 3.27Å; Y55-C59 VanDerWaalsContact OH-SG 3.39Å; Y55-L154 HydrophobicContact CD1-CD1 4.5Å; Y55-L154 HydrophobicContact CD2-CD1 3.92Å; Y55-L154 HydrophobicContact CE1-CD1 4.14Å; Y55-L154 HydrophobicContact CE1-CD2 3.63Å; Y55-L154 HydrophobicContact CE1-CG 4.29Å; Y55-L154 HydrophobicContact CE2-CB 3.68Å; Y55-L154 HydrophobicContact CE2-CD1 3.54Å; Y55-L154 HydrophobicContact CE2-CD2 4.19Å; Y55-L154 HydrophobicContact CE2-CG 3.95Å; Y55-L154 HydrophobicContact CG-CD1 4.41Å; Y55-L154 VanDerWaalsContact CZ-CD2 3.43Å; Y55-L154 WeakPolarHBondContact OH-CB 3.49Å; Y55-L154 VanDerWaalsContact OH-CD2 3.26Å; Y55-L154 WeakPolarHBondContact OH-CD2 3.21Å
56A80.2Confident78.2Confident4 Ų455.3 Ų55.33%0.03326%0.261CS..Hα-helixtrans-61.2-40.3175.800000112.5R52 K53 H54 C59 S60 L69 I70 A73R52-A56 VanDerWaalsContact O-CB 3.26Å; R52-A56 WeakPolarHBondContact O-CB 3.38Å; R52-A56 PolarHBondContact O-N 3.25Å; K53-A56 PolarHBondContact O-N 3.25Å; H54-A56 VanDerWaalsContact C-N 3.35Å; H54-A56 PolarHBondContact O-N 2.88Å; A56-C59 PolarHBondContact O-N 2.78Å; A56-S60 PolarHBondContact O-N 3.21Å; A56-L69 HydrophobicContact CB-CB 4.04Å; A56-L69 WeakPolarHBondContact CB-O 3.25Å; A56-I70 HydrophobicContact CB-CG1 4.15Å; A56-A73 HydrophobicContact CB-CB 3.57Å
57L79.2Confident77.2Confident3 Ų355.4 Ų55.42%0.01626%0.263CS..Hα-helixtrans-61.3-49.7175-175.769.8000111.4K53 H54 Y55 C59 S60 Y61 I70 M97 V107 E116 M148K53-L57 PolarHBondContact O-N 2.71Å; H54-L57 PolarHBondContact O-N 3.42Å; Y55-L57 VanDerWaalsContact C-N 3.32Å; Y55-L57 PolarHBondContact O-N 3.2Å; L57-C59 VanDerWaalsContact C-N 3.35Å; L57-C59 PolarHBondContact O-N 3.21Å; L57-S60 PolarHBondContact O-N 2.58Å; L57-S60 PolarHBondContact O-OG 2.81Å; L57-Y61 PolarHBondContact O-N 3.29Å; L57-Y61 VanDerWaalsContact O-N 3.15Å; L57-I70 HydrophobicContact CD1-CD1 4.05Å; L57-M97 HydrophobicContact CB-CE 4.25Å; L57-M97 HydrophobicContact CD1-CB 3.85Å; L57-M97 HydrophobicContact CD1-CE 3.93Å; L57-M97 HydrophobicContact CD1-CG 4.06Å; L57-M97 HydrophobicContact CD2-CE 4Å; L57-M97 HydrophobicContact CG-CE 4.27Å; L57-V107 HydrophobicContact CD1-CB 4.41Å; L57-V107 HydrophobicContact CD1-CG1 4.44Å; L57-V107 HydrophobicContact CD2-CB 4.38Å; L57-V107 HydrophobicContact CD2-CG1 3.57Å; L57-E116 HydrophobicContact CD2-CB 4.04Å; L57-E116 HydrophobicContact CD2-CG 3.86Å; L57-E116 WeakPolarHBondContact CD2-OE1 3.45Å; L57-M148 HydrophobicContact CB-CE 4.26Å; L57-M148 HydrophobicContact CD2-CE 3.72Å; L57-M148 HydrophobicContact CD2-SD 3.89Å; L57-M148 HydrophobicContact CG-CE 3.79Å; L57-M148 HydrophobicContact CG-SD 4.25Å
58L78.2Confident76.4Confident2 Ų256.7 Ų56.71%0.0127%0.266CS..Hα-helixtrans-53.5-49.5176.2-75.5159.8000111.7I8 F10 H54 Y55 S60 Y61 L62 M148 P152I8-L58 HydrophobicContact CD1-CD2 3.86Å; I8-L58 HydrophobicContact CG2-CD1 4.44Å; F10-L58 HydrophobicContact CE2-CD1 3.84Å; F10-L58 HydrophobicContact CZ-CD1 3.7Å; H54-L58 WeakPolarHBondContact O-CG 3.34Å; H54-L58 PolarHBondContact O-N 3.43Å; Y55-L58 PolarHBondContact O-N 2.78Å; L58-S60 VanDerWaalsContact C-N 3.35Å; L58-S60 PolarHBondContact O-N 3.24Å; L58-Y61 PolarHBondContact O-N 3.47Å; L58-L62 VanDerWaalsContact O-CD1 3.24Å; L58-L62 WeakPolarHBondContact O-CD1 3.36Å; L58-L62 WeakPolarHBondContact O-CG 3.07Å; L58-L62 PolarHBondContact O-N 3.39Å; L58-M148 HydrophobicContact CB-CE 4.06Å; L58-M148 HydrophobicContact CD2-CB 4.18Å; L58-M148 HydrophobicContact CD2-CE 3.22Å; L58-M148 HydrophobicContact CD2-CG 4.17Å; L58-M148 HydrophobicContact CG-CE 3.31Å; L58-P152 HydrophobicContact CD1-CG 3.8Å
59C75.9Confident75.8Confident13 Ų1354.4 Ų54.49%0.08826%0.26CS..Hα-helixtrans-58.8-45.3178.1-710000112.4Y55 A56 L57 Y61 L62 D63 C66 L69Y55-C59 WeakPolarHBondContact CE1-SG 3.36Å; Y55-C59 PolarHBondContact O-N 3.27Å; Y55-C59 PolarHBondContact O-SG 3.08Å; Y55-C59 PolarHBondContact OH-SG 3.27Å; Y55-C59 VanDerWaalsContact OH-SG 3.39Å; A56-C59 PolarHBondContact O-N 2.78Å; L57-C59 VanDerWaalsContact C-N 3.35Å; L57-C59 PolarHBondContact O-N 3.21Å; C59-Y61 VanDerWaalsContact C-N 3.26Å; C59-Y61 PolarHBondContact O-N 2.89Å; C59-L62 PolarHBondContact O-N 2.94Å; C59-D63 PolarHBondContact O-N 3.08Å; C59-D63 VanDerWaalsContact O-O 3.12Å; C59-C66 HydrophobicContact CB-CB 3.79Å; C59-L69 HydrophobicContact CB-CD1 3.84Å
60S73.2Confident75Confident4 Ų450.5 Ų50.53%0.02825%0.245CC..Hα-helixtrans-63.4-31.5-17879.80000113.8A56 L57 L58 L62 D63 I70A56-S60 PolarHBondContact O-N 3.21Å; L57-S60 PolarHBondContact O-N 2.58Å; L57-S60 PolarHBondContact O-OG 2.81Å; L58-S60 VanDerWaalsContact C-N 3.35Å; L58-S60 PolarHBondContact O-N 3.24Å; S60-L62 VanDerWaalsContact C-N 3.33Å; S60-D63 CarbonylContact O-C 3.57Å; S60-I70 VanDerWaalsContact CB-CD1 3.4Å; S60-I70 WeakPolarHBondContact OG-CD1 3.22Å
61Y68.8Low74.1Confident106 Ų10652 Ų5242%0.41625%0.25SS..Hα-helixtrans-71.5-35-179.1-175.8-91.6000111L57 L58 C59 D108 M148L57-Y61 PolarHBondContact O-N 3.29Å; L57-Y61 VanDerWaalsContact O-N 3.15Å; L58-Y61 PolarHBondContact O-N 3.47Å; C59-Y61 VanDerWaalsContact C-N 3.26Å; C59-Y61 PolarHBondContact O-N 2.89Å; Y61-D108 HydrophobicContact CD2-CB 4.16Å; Y61-D108 HydrophobicContact CE2-CB 3.43Å; Y61-D108 VanDerWaalsContact CE2-CB 3.43Å; Y61-M148 HydrophobicContact CD1-CB 4.07Å; Y61-M148 WeakPolarHBondContact CD1-O 3.24Å; Y61-M148 HydrophobicContact CE1-CB 4.43Å; Y61-M148 WeakPolarHBondContact CE1-O 3.47Å; Y61-M148 HydrophobicContact CG-CB 4.25Å
62L69Low73.6Confident71 Ų7154.7 Ų54.737%0.37227%0.265SS..Hα-helixtrans-90.5-36.6-174.2-60.8160.1000112.1L58 C59 S60 A151L58-L62 VanDerWaalsContact O-CD1 3.24Å; L58-L62 WeakPolarHBondContact O-CD1 3.36Å; L58-L62 WeakPolarHBondContact O-CG 3.07Å; L58-L62 PolarHBondContact O-N 3.39Å; C59-L62 PolarHBondContact O-N 2.94Å; S60-L62 VanDerWaalsContact C-N 3.33Å; L62-A151 HydrophobicContact CD1-CB 3.13Å
63D71.4Confident72.9Confident81 Ų8150.1 Ų50.143%0.43325%0.249SC..  trans-132.4106.3172-172.8-10.8000108.6C59 S60 S65 C66C59-D63 PolarHBondContact O-N 3.08Å; C59-D63 VanDerWaalsContact O-O 3.12Å; S60-D63 CarbonylContact O-C 3.57Å; D63-S65 PolarHBondContact O-N 2.65Å; D63-S65 WeakPolarHBondContact OD1-CB 3.34Å; D63-S65 PolarHBondContact OD1-N 2.79Å; D63-S65 PolarHBondContact OD1-OG 3.32Å; D63-S65 PolarHBondContact OD2-OG 3.05Å; D63-C66 WeakPolarHBondContact O-CB 3.32Å; D63-C66 PolarHBondContact O-N 2.86Å
64K68.5Low72.2Confident164 Ų16449.5 Ų49.571%0.71325%0.25SS*.G310 helixtrans-58.7-22.9178.6-66.6-179.4180178.80112.1C66 A67 M94K64-C66 PolarHBondContact O-N 2.68Å; K64-A67 WeakPolarHBondContact O-CB 3.37Å; K64-A67 PolarHBondContact O-N 3.25Å; K64-M94 WeakPolarHBondContact O-CE 3.38Å
65S70.8Confident71.5Confident77 Ų7756.8 Ų56.854%0.53828%0.277SS..G310 helixtrans-64.8-21.8174810000112.7D63 A67 M94D63-S65 PolarHBondContact O-N 2.65Å; D63-S65 WeakPolarHBondContact OD1-CB 3.34Å; D63-S65 PolarHBondContact OD1-N 2.79Å; D63-S65 PolarHBondContact OD1-OG 3.32Å; D63-S65 PolarHBondContact OD2-OG 3.05Å; S65-A67 VanDerWaalsContact C-N 3.27Å; S65-A67 PolarHBondContact O-N 3.29Å; S65-M94 VanDerWaalsContact O-CE 3.31Å; S65-M94 WeakPolarHBondContact O-CE 3.22Å
66C68Low70Confident31 Ų3161.2 Ų61.221%0.20930%0.3CS..G310 helixtrans-792.7175.9-64.40000114.3C59 D63 K64 Q68 L69C59-C66 HydrophobicContact CB-CB 3.79Å; D63-C66 WeakPolarHBondContact O-CB 3.32Å; D63-C66 PolarHBondContact O-N 2.86Å; K64-C66 PolarHBondContact O-N 2.68Å; C66-Q68 PolarHBondContact O-N 3.14Å; C66-L69 HydrophobicContact CB-CD1 3.89Å; C66-L69 HydrophobicContact CB-CG 4.33Å; C66-L69 VanDerWaalsContact O-CB 3.23Å; C66-L69 WeakPolarHBondContact O-CB 3.4Å; C66-L69 WeakPolarHBondContact O-CG 3.02Å; C66-L69 PolarHBondContact O-N 2.98Å
67A66Low68.4Low7 Ų768.7 Ų68.76%0.05834%0.339CS..Hα-helixtrans-61.1-19.4-177.500000113.8K64 S65 L69 I70 F71 M94K64-A67 WeakPolarHBondContact O-CB 3.37Å; K64-A67 PolarHBondContact O-N 3.25Å; S65-A67 VanDerWaalsContact C-N 3.27Å; S65-A67 PolarHBondContact O-N 3.29Å; A67-L69 PolarHBondContact O-N 3.47Å; A67-I70 WeakPolarHBondContact O-CB 3.13Å; A67-I70 PolarHBondContact O-N 3.3Å; A67-F71 PolarHBondContact O-N 3.06Å; A67-M94 HydrophobicContact CB-CB 3.72Å; A67-M94 HydrophobicContact CB-CE 3.69Å; A67-M94 HydrophobicContact CB-CG 3.76Å; A67-M94 HydrophobicContact CB-SD 3.87Å
68Q69Low66.7Low100 Ų10079.9 Ų79.947%0.46738%0.381SS..Hα-helixtrans-60.9-32.7169.9-171.158.941.800112.5C66 I70 F71 D72C66-Q68 PolarHBondContact O-N 3.14Å; Q68-I70 VanDerWaalsContact C-N 3.27Å; Q68-I70 PolarHBondContact O-N 3.02Å; Q68-F71 WeakPolarHBondContact O-CB 3.13Å; Q68-F71 PolarHBondContact O-N 2.74Å; Q68-F71 VanDerWaalsContact O-N 3.14Å; Q68-D72 PolarHBondContact NE2-OD1 2.77Å; Q68-D72 PolarHBondContact O-N 2.78Å
69L67.8Low64.9Low75 Ų7582.5 Ų82.539%0.39341%0.408SS..Hα-helixtrans-61.5-35.8176.1-60.5179.2000111.6A56 C59 C66 A67 A73A56-L69 HydrophobicContact CB-CB 4.04Å; A56-L69 WeakPolarHBondContact CB-O 3.25Å; C59-L69 HydrophobicContact CB-CD1 3.84Å; C66-L69 HydrophobicContact CB-CD1 3.89Å; C66-L69 HydrophobicContact CB-CG 4.33Å; C66-L69 VanDerWaalsContact O-CB 3.23Å; C66-L69 WeakPolarHBondContact O-CB 3.4Å; C66-L69 WeakPolarHBondContact O-CG 3.02Å; C66-L69 PolarHBondContact O-N 2.98Å; A67-L69 PolarHBondContact O-N 3.47Å; L69-A73 WeakPolarHBondContact O-CB 3.5Å; L69-A73 PolarHBondContact O-N 3.14Å
70I66.2Low63.4Low7 Ų788.1 Ų88.14%0.03644%0.442CS..Hα-helixtrans-64.2-48.5174.2-68.6177.3000109.7A56 L57 S60 A67 Q68 D72 A73 T74 M97A56-I70 HydrophobicContact CB-CG1 4.15Å; L57-I70 HydrophobicContact CD1-CD1 4.05Å; S60-I70 VanDerWaalsContact CB-CD1 3.4Å; S60-I70 WeakPolarHBondContact OG-CD1 3.22Å; A67-I70 WeakPolarHBondContact O-CB 3.13Å; A67-I70 PolarHBondContact O-N 3.3Å; Q68-I70 VanDerWaalsContact C-N 3.27Å; Q68-I70 PolarHBondContact O-N 3.02Å; I70-D72 VanDerWaalsContact C-N 3.26Å; I70-D72 PolarHBondContact O-N 3.38Å; I70-A73 PolarHBondContact O-N 2.87Å; I70-A73 VanDerWaalsContact O-N 3.14Å; I70-T74 HydrophobicContact CG2-CG2 3.87Å; I70-T74 WeakPolarHBondContact O-CB 3.49Å; I70-T74 WeakPolarHBondContact O-CG2 3.49Å; I70-T74 PolarHBondContact O-N 3.42Å; I70-T74 PolarHBondContact O-OG1 3.33Å; I70-M97 HydrophobicContact CD1-CG 4.38Å; I70-M97 HydrophobicContact CG2-CG 3.95Å
71F68.3Low61.9Low112 Ų11295.3 Ų95.349%0.49148%0.48SS..Hα-helixtrans-57.8-43.2-178.8-178-96.3000111.2A67 Q68 R75A67-F71 PolarHBondContact O-N 3.06Å; Q68-F71 WeakPolarHBondContact O-CB 3.13Å; Q68-F71 PolarHBondContact O-N 2.74Å; Q68-F71 VanDerWaalsContact O-N 3.14Å; F71-R75 HydrophobicContact CD1-CG 4.46Å; F71-R75 VanDerWaalsContact CE1-CD 3.45Å; F71-R75 HydrophobicContact CE1-CG 4.13Å; F71-R75 HydrophobicContact CZ-CG 4.3Å; F71-R75 WeakPolarHBondContact O-CB 3.3Å; F71-R75 WeakPolarHBondContact O-CG 3.41Å; F71-R75 PolarHBondContact O-N 3.18Å
72D73.8Confident60.7Low72 Ų7294.7 Ų94.739%0.38550%0.497SS..Hα-helixtrans-70.8-35.6178-63.9-20.9000112.1R52 Q68 I70R52-D72 PolarHBondContact NH2-O 3.32Å; Q68-D72 PolarHBondContact NE2-OD1 2.77Å; Q68-D72 PolarHBondContact O-N 2.78Å; I70-D72 VanDerWaalsContact C-N 3.26Å; I70-D72 PolarHBondContact O-N 3.38Å
73A69.4Low59.5Low2 Ų298.7 Ų98.72%0.01752%0.519CS..Hα-helixtrans-72.5-35.1177.700000113.6R52 A56 L69 I70R52-A73 HydrophobicContact CG-CB 3.96Å; R52-A73 PolarHBondContact NH2-O 3.14Å; A56-A73 HydrophobicContact CB-CB 3.57Å; L69-A73 WeakPolarHBondContact O-CB 3.5Å; L69-A73 PolarHBondContact O-N 3.14Å; I70-A73 PolarHBondContact O-N 2.87Å; I70-A73 VanDerWaalsContact O-N 3.14Å
74T68.3Low58.2Low53 Ų5398.4 Ų98.433%0.32554%0.535SS..Hα-helixtrans-97.5-0.5-177.160.60000113.6K53 I70 E76 M97K53-T74 HydrophobicContact CG-CG2 4.43Å; I70-T74 HydrophobicContact CG2-CG2 3.87Å; I70-T74 WeakPolarHBondContact O-CB 3.49Å; I70-T74 WeakPolarHBondContact O-CG2 3.49Å; I70-T74 PolarHBondContact O-N 3.42Å; I70-T74 PolarHBondContact O-OG1 3.33Å; T74-E76 PolarHBondContact O-N 3.35Å; T74-M97 HydrophobicContact CG2-SD 4.12Å
75R67.9Low57Low166 Ų16696.3 Ų96.363%0.62654%0.541SS*.  trans-6475.2167.1-109.2176.8731674.7110.1F71F71-R75 HydrophobicContact CD1-CG 4.46Å; F71-R75 VanDerWaalsContact CE1-CD 3.45Å; F71-R75 HydrophobicContact CE1-CG 4.13Å; F71-R75 HydrophobicContact CZ-CG 4.3Å; F71-R75 WeakPolarHBondContact O-CB 3.3Å; F71-R75 WeakPolarHBondContact O-CG 3.41Å; F71-R75 PolarHBondContact O-N 3.18Å
76E50.9Low55.7Low136 Ų13697.1 Ų97.164%0.63655%0.547SS*.  trans-63.1141.8149.3-69.4-174.2159.700107.5Y49 T74 R78Y49-E76 PolarHBondContact OH-OE1 2.91Å; T74-E76 PolarHBondContact O-N 3.35Å; E76-R78 PolarHBondContact O-N 3.21Å
77N45.3Very low54.8Low161 Ų161104.8 Ų104.886%0.86158%0.582SS**  trans-58.667.5-173.8-164.618.7000113G79N77-G79 VanDerWaalsContact C-N 3.3Å; N77-G79 PolarHBondContact O-N 3.01Å
78R44.6Very low53.7Low238 Ų238108.3 Ų108.390%0.89861%0.611SS**  trans-74.594.7161.7-75.6-172.3-179.6179.31.1105.8E76 T80E76-R78 PolarHBondContact O-N 3.21Å; R78-T80 PolarHBondContact O-N 3.37Å
79G39.9Very low52.4Low56 Ų56110.6 Ų110.658%0.57763%0.627SS**  trans-40.8130.5176.600000110.8N77 N81N77-G79 VanDerWaalsContact C-N 3.3Å; N77-G79 PolarHBondContact O-N 3.01Å; G79-N81 VanDerWaalsContact C-N 3.29Å; G79-N81 PolarHBondContact O-N 2.76Å
80T43.5Very low51.4Low132 Ų132111.7 Ų111.781%0.8164%0.64SS**  trans-58.991.317144.80000109.2R78 A82R78-T80 PolarHBondContact O-N 3.37Å; T80-A82 VanDerWaalsContact C-N 3.3Å; T80-A82 PolarHBondContact O-N 2.8Å
81N42.8Very low50.2Low154 Ų154117.6 Ų117.682%0.82468%0.677SS**  trans-81.594.1146.9-76.6-17.8000105.3G79 D83G79-N81 VanDerWaalsContact C-N 3.29Å; G79-N81 PolarHBondContact O-N 2.76Å; N81-D83 VanDerWaalsContact C-N 3.27Å; N81-D83 PolarHBondContact O-N 3.43Å
82A44Very low48.9Very low93 Ų93118.8 Ų118.877%0.76969%0.694SS**  trans-69.987.7169.900000108.2T80T80-A82 VanDerWaalsContact C-N 3.3Å; T80-A82 PolarHBondContact O-N 2.8Å
83D42.9Very low47.5Very low155 Ų155121.6 Ų121.683%0.82970%0.704SS**  trans-110.3109.6159-84.2-30.9000108.3N81 S85N81-D83 VanDerWaalsContact C-N 3.27Å; N81-D83 PolarHBondContact O-N 3.43Å; D83-S85 PolarHBondContact O-N 3.49Å
84G44.9Very low46.1Very low76 Ų76126 Ų12678%0.78473%0.726SS**  trans-64.8118.2178.600000110.9
85S43.2Very low45.3Very low119 Ų119132.1 Ų132.183%0.83274%0.743SS**  trans-160.6118.1149.3-87.60000110.8D83D83-S85 PolarHBondContact O-N 3.49Å
86S43.7Very low45Very low95 Ų95126.8 Ų126.866%0.66473%0.729SS**  trans67.277.2165.9-154.80000118.5A88S86-A88 PolarHBondContact O-N 3.14Å
87M49.1Very low46.2Very low191 Ų191122 Ų12294%0.94171%0.707SS**THydrogen-bonded Turntrans-77.614.6167.6-95.4156.167.300114.4
88A42.6Very low48.1Very low81 Ų81120.3 Ų120.367%0.66969%0.694SS**THydrogen-bonded Turntrans-99.5-3.6-171.300000115.9S86S86-A88 PolarHBondContact O-N 3.14Å
89N42.3Very low50.4Low148 Ų148109 Ų10979%0.79165%0.651SS**SBendtrans-130.59.9-177.5-94.1-8.6000116
90S46Very low52.9Low98 Ų98109.5 Ų109.569%0.68565%0.645SS**  trans-993.1-176.2-72.60000115.5T92S90-T92 VanDerWaalsContact C-N 3.29Å; S90-T92 PolarHBondContact O-N 2.86Å
91V41.9Very low55.3Low131 Ų131106.8 Ų106.879%0.79463%0.625SS**THydrogen-bonded Turntrans-75.8-17.5-178.8-176.30000112.5
92T39.5Very low57.8Low138 Ų138100.8 Ų100.885%0.84760%0.595SS**THydrogen-bonded Turntrans-100-4.8-175.5-36.20000114.1S90 M94S90-T92 VanDerWaalsContact C-N 3.29Å; S90-T92 PolarHBondContact O-N 2.86Å; T92-M94 PolarHBondContact O-N 2.87Å
93Q44.3Very low60.1Low131 Ų131103.2 Ų103.261%0.61259%0.59SS**  trans-101.258.3175-148.4177.857.800109.9R95Q93-R95 VanDerWaalsContact C-N 3.28Å; Q93-R95 HydrophobicContact CG-CG 4.3Å; Q93-R95 WeakPolarHBondContact O-CG 3.12Å; Q93-R95 PolarHBondContact O-N 2.8Å
94M41.1Very low62.4Low95 Ų95102.7 Ų102.747%0.46858%0.583SS.*  trans-59.897161.3-93.7-179.4136.200107.2K64 S65 A67 T92 T96K64-M94 WeakPolarHBondContact O-CE 3.38Å; S65-M94 VanDerWaalsContact O-CE 3.31Å; S65-M94 WeakPolarHBondContact O-CE 3.22Å; A67-M94 HydrophobicContact CB-CB 3.72Å; A67-M94 HydrophobicContact CB-CE 3.69Å; A67-M94 HydrophobicContact CB-CG 3.76Å; A67-M94 HydrophobicContact CB-SD 3.87Å; T92-M94 PolarHBondContact O-N 2.87Å; M94-T96 PolarHBondContact O-N 3.14Å
95R50.8Low64.6Low180 Ų180102.6 Ų102.668%0.67956%0.558SS**  trans-71.492-176-64.7-174.6-177.2-176.5-1.2109.2Q93Q93-R95 VanDerWaalsContact C-N 3.28Å; Q93-R95 HydrophobicContact CG-CG 4.3Å; Q93-R95 WeakPolarHBondContact O-CG 3.12Å; Q93-R95 PolarHBondContact O-N 2.8Å
96T61.4Low66.7Low54 Ų5499.9 Ų99.933%0.33154%0.538SS..PPolyproline II helixtrans-53.4139.2148.8540000107.4M94 E98M94-T96 PolarHBondContact O-N 3.14Å; T96-E98 PolarHBondContact O-N 3.1Å
97M76.7Confident68.7Low37 Ų3795.8 Ų95.818%0.18251%0.509CS..PPolyproline II helixtrans-63.8127.3178-69-146.8-68.900108.7K53 L57 I70 T74 V107 E116K53-M97 HydrophobicContact CG-CE 4.37Å; L57-M97 HydrophobicContact CB-CE 4.25Å; L57-M97 HydrophobicContact CD1-CB 3.85Å; L57-M97 HydrophobicContact CD1-CE 3.93Å; L57-M97 HydrophobicContact CD1-CG 4.06Å; L57-M97 HydrophobicContact CD2-CE 4Å; L57-M97 HydrophobicContact CG-CE 4.27Å; I70-M97 HydrophobicContact CD1-CG 4.38Å; I70-M97 HydrophobicContact CG2-CG 3.95Å; T74-M97 HydrophobicContact CG2-SD 4.12Å; M97-V107 HydrophobicContact CB-CG2 4.29Å; M97-V107 WeakPolarHBondContact O-CB 3.43Å; M97-V107 VanDerWaalsContact O-CG2 3.31Å; M97-V107 WeakPolarHBondContact O-CG2 3.48Å; M97-V107 PolarHBondContact O-N 3.3Å; M97-E116 WeakPolarHBondContact CE-OE2 3.23Å
98E86.2Confident70.4Confident125 Ų12588.4 Ų88.458%0.58447%0.473SS*.BIsolated β-bridgetrans-81.2145.2178.1-68.8172.1156.600110T96 C100T96-E98 PolarHBondContact O-N 3.1Å; E98-C100 PolarHBondContact O-N 3.2Å
99C91.2Very high72.4Confident0 Ų084.5 Ų84.50%044%0.441CS..PPolyproline II helixtrans-61.1123.5176.61750000110.1I101 C102 Q103 R105 V107 C118C99-I101 PolarHBondContact O-N 2.76Å; C99-I101 VanDerWaalsContact O-N 3.07Å; C99-C102 PolarHBondContact O-N 2.82Å; C99-Q103 VanDerWaalsContact O-CA 3.28Å; C99-Q103 WeakPolarHBondContact O-CA 3.39Å; C99-Q103 PolarHBondContact O-N 3.03Å; C99-R105 WeakPolarHBondContact CB-O 3.48Å; C99-R105 PolarHBondContact N-O 3.19Å; C99-V107 HydrophobicContact CB-CG2 4.49Å; C99-C118 HydrophobicContact CB-CB 3.77Å; C99-C118 PolarHBondContact SG-N 2.76Å; C99-C118 VanDerWaalsContact SG-SG 3.66Å
100C92.4Very high74.6Confident66 Ų6677.6 Ų77.645%0.44640%0.404SS..THydrogen-bonded Turntrans-65-14.3-178.362.50000114.7E98 F117E98-C100 PolarHBondContact O-N 3.2Å; C100-F117 WeakPolarHBondContact SG-CE1 3.22Å
101I94.3Very high76.6Confident76 Ų7672.9 Ų72.939%0.3937%0.372SS..THydrogen-bonded Turntrans-82.5-52.9178.2-62.6170.7000111.1C99 F117 C121 P133C99-I101 PolarHBondContact O-N 2.76Å; C99-I101 VanDerWaalsContact O-N 3.07Å; I101-F117 HydrophobicContact CD1-CD1 3.41Å; I101-F117 VanDerWaalsContact CD1-CD1 3.41Å; I101-F117 HydrophobicContact CD1-CE1 3.78Å; I101-F117 HydrophobicContact CD1-CG 4.21Å; I101-F117 HydrophobicContact CG1-CD1 3.79Å; I101-F117 HydrophobicContact CG1-CE1 4.03Å; I101-C121 HydrophobicContact CB-CB 4.05Å; I101-C121 HydrophobicContact CD1-CB 3.92Å; I101-C121 HydrophobicContact CG2-CB 4.05Å; I101-P133 HydrophobicContact CD1-CB 4.33Å; I101-P133 HydrophobicContact CD1-CG 4Å
102C95.1Very high78.6Confident28 Ų2866.8 Ų66.819%0.18934%0.335CS..THydrogen-bonded Turntrans-97.9-22.4-176.9640000114C99 E104 R105C99-C102 PolarHBondContact O-N 2.82Å; C102-E104 HydrophobicContact CB-CB 4.39Å; C102-E104 WeakPolarHBondContact O-CG 3.34Å; C102-E104 PolarHBondContact O-N 2.79Å; C102-E104 VanDerWaalsContact O-N 3.12Å; C102-R105 PolarHBondContact SG-N 2.89Å
103Q92.8Very high80.8Confident144 Ų14461.2 Ų61.267%0.67330%0.301SS*.SBendtrans5623.9-175.6-53.3176.825.700113.7C99C99-Q103 VanDerWaalsContact O-CA 3.28Å; C99-Q103 WeakPolarHBondContact O-CA 3.39Å; C99-Q103 PolarHBondContact O-N 3.03Å
104E91.6Very high82.9Confident144 Ų14455.4 Ų55.467%0.67328%0.275SS*.SBendtrans-124.7-41-175.1-74.8170.8-177.900112.4C102C102-E104 HydrophobicContact CB-CB 4.39Å; C102-E104 WeakPolarHBondContact O-CG 3.34Å; C102-E104 PolarHBondContact O-N 2.79Å; C102-E104 VanDerWaalsContact O-N 3.12Å
105R90.4Very high85.2Confident73 Ų7353.9 Ų53.928%0.27527%0.267SS..SBendtrans-101144.7-173.7-72.7176-71.1-74.25110.1C99 C102 C118 C121C99-R105 WeakPolarHBondContact CB-O 3.48Å; C99-R105 PolarHBondContact N-O 3.19Å; C102-R105 PolarHBondContact SG-N 2.89Å; R105-C118 HydrophobicContact CB-CB 3.72Å; R105-C118 PolarHBondContact NE-SG 3.29Å; R105-C121 PolarHBondContact NH2-SG 2.88Å
106P87.1Confident87Confident63 Ų6346.3 Ų46.341%0.40924%0.239SC..BIsolated β-bridgetrans-61.9148.7171.629.1-35.1000109.9D108 C118P106-D108 PolarHBondContact O-N 2.83Å; P106-C118 VanDerWaalsContact O-CB 3.27Å; P106-C118 WeakPolarHBondContact O-CB 3.38Å
107V86.3Confident88.4Confident8 Ų843.7 Ų43.75%0.04822%0.223CC..PPolyproline II helixtrans-66127.1167.6171.70000109L57 M97 C99 E116L57-V107 HydrophobicContact CD1-CB 4.41Å; L57-V107 HydrophobicContact CD1-CG1 4.44Å; L57-V107 HydrophobicContact CD2-CB 4.38Å; L57-V107 HydrophobicContact CD2-CG1 3.57Å; M97-V107 HydrophobicContact CB-CG2 4.29Å; M97-V107 WeakPolarHBondContact O-CB 3.43Å; M97-V107 VanDerWaalsContact O-CG2 3.31Å; M97-V107 WeakPolarHBondContact O-CG2 3.48Å; M97-V107 PolarHBondContact O-N 3.3Å; C99-V107 HydrophobicContact CB-CG2 4.49Å; V107-E116 HydrophobicContact CG1-CB 3.37Å; V107-E116 HydrophobicContact CG1-CG 4.49Å; V107-E116 HydrophobicContact CG2-CB 4.48Å
108D85.1Confident89Confident36 Ų3642 Ų4219%0.19321%0.214CC..  trans-136.50.8-179.760.913.3000112.4Y61 P106 F117 C118 T119 M148Y61-D108 HydrophobicContact CD2-CB 4.16Å; Y61-D108 HydrophobicContact CE2-CB 3.43Å; Y61-D108 VanDerWaalsContact CE2-CB 3.43Å; P106-D108 PolarHBondContact O-N 2.83Å; D108-F117 PolarHBondContact N-O 3.07Å; D108-C118 VanDerWaalsContact OD1-CA 3.31Å; D108-C118 WeakPolarHBondContact OD1-CA 3.31Å; D108-T119 VanDerWaalsContact CG-OG1 3.27Å; D108-T119 WeakPolarHBondContact OD1-CA 3.47Å; D108-T119 WeakPolarHBondContact OD1-CB 3.25Å; D108-T119 PolarHBondContact OD1-N 3.25Å; D108-T119 PolarHBondContact OD1-OG1 3.4Å; D108-M148 PolarHBondContact O-N 2.71Å
109S85.1Confident89.2Confident0 Ų037.4 Ų37.40%020%0.195CC..EExtended strand (participates in β ladder)trans-134.6139.8178.9680000111.2E116 F117 W146S109-E116 WeakPolarHBondContact O-CA 3.42Å; S109-F117 PolarHBondContact N-O 3.42Å; S109-F117 PolarHBondContact O-N 2.96Å; S109-F117 VanDerWaalsContact O-O 3.1Å; S109-F117 PolarHBondContact OG-O 3.24Å; S109-W146 CarbonylContact C-O 3.45Å; S109-W146 VanDerWaalsContact CA-O 3.25Å; S109-W146 WeakPolarHBondContact CA-O 3.17Å
110T86.9Confident89.2Confident2 Ų240.6 Ų40.61%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-120.3128.3173.4-60.70000108.8M30 E116 W146 M148M30-T110 HydrophobicContact CE-CG2 3.94Å; T110-E116 HydrophobicContact CG2-CG 4.23Å; T110-W146 HydrophobicContact CG2-CE3 4.01Å; T110-W146 HydrophobicContact CG2-CZ3 4.42Å; T110-W146 PolarHBondContact N-O 2.8Å; T110-W146 WeakPolarHBondContact O-CA 3.27Å; T110-W146 WeakPolarHBondContact O-CB 3.45Å; T110-W146 PolarHBondContact O-N 2.85Å; T110-M148 PolarHBondContact OG1-SD 3.48Å
111L87.6Confident89.3Confident0 Ų037.8 Ų37.80%020%0.196CC..  trans-77.8167.3174.2-72.3-173.8000111.3C113 C114 H115 F117 I122 C132 L139 A145L111-C113 PolarHBondContact O-N 3.46Å; L111-C114 VanDerWaalsContact O-CA 3.3Å; L111-C114 WeakPolarHBondContact O-CA 2.88Å; L111-C114 PolarHBondContact O-N 2.95Å; L111-H115 WeakPolarHBondContact CB-O 2.91Å; L111-H115 PolarHBondContact N-O 3.41Å; L111-F117 HydrophobicContact CD1-CD2 4.17Å; L111-F117 HydrophobicContact CD1-CE2 3.68Å; L111-F117 HydrophobicContact CG-CD2 4.18Å; L111-F117 HydrophobicContact CG-CE2 4.1Å; L111-I122 HydrophobicContact CD1-CD1 3.82Å; L111-I122 HydrophobicContact CD1-CG1 4.44Å; L111-I122 HydrophobicContact CD2-CD1 4.07Å; L111-I122 HydrophobicContact CD2-CG1 3.78Å; L111-I122 HydrophobicContact CG-CD1 4.23Å; L111-I122 HydrophobicContact CG-CG1 4.32Å; L111-C132 HydrophobicContact CD1-CB 3.72Å; L111-L139 HydrophobicContact CD1-CD1 4.01Å; L111-L139 HydrophobicContact CD1-CD2 4.47Å; L111-L139 HydrophobicContact CD2-CD1 3.78Å; L111-L139 HydrophobicContact CD2-CD2 4.26Å; L111-A145 HydrophobicContact CD2-CB 3.92Å
112P83.8Confident89.2Confident2 Ų234.3 Ų34.31%0.01318%0.178CC..THydrogen-bonded Turntrans-67-23.6-178.8-19.231.4000115.6H42 S44 C114 L139 D144 W146H42-P112 HydrophobicContact CB-CB 4.21Å; H42-P112 WeakPolarHBondContact CD2-CB 3.38Å; H42-P112 WeakPolarHBondContact CE1-CB 3.33Å; H42-P112 PolarHBondContact CE1-O 3.27Å; H42-P112 WeakPolarHBondContact NE2-CB 3.49Å; S44-P112 WeakPolarHBondContact CB-O 3.34Å; S44-P112 PolarHBondContact OG-O 3.02Å; P112-C114 PolarHBondContact O-N 3.41Å; P112-L139 HydrophobicContact CG-CD2 4.2Å; P112-D144 VanDerWaalsContact CD-O 3.27Å; P112-D144 WeakPolarHBondContact CD-O 3.42Å; P112-D144 HydrophobicContact CG-CB 3.91Å; P112-D144 WeakPolarHBondContact CG-O 3.26Å; P112-W146 HydrophobicContact CB-CZ2 3.69Å; P112-W146 HydrophobicContact CG-CZ2 4.28Å
113C87.4Confident89Confident22 Ų2236.6 Ų36.615%0.14919%0.188CC..THydrogen-bonded Turntrans-75.97.7167.456.70000114.3L111 H115 C132 C135 L137L111-C113 PolarHBondContact O-N 3.46Å; C113-H115 PolarHBondContact O-N 2.96Å; C113-H115 PolarHBondContact SG-ND1 3.28Å; C113-C132 PolarHBondContact SG-SG 3.26Å; C113-C135 WeakPolarHBondContact CB-SG 3.34Å; C113-L137 HydrophobicContact CB-CB 4.13Å; C113-L137 HydrophobicContact CB-CD2 3.64Å
114C86.9Confident89Confident9 Ų934.8 Ų34.86%0.06118%0.179CC..SBendtrans63.321.6-176.9-440000114.3M30 S44 L46 H54 L111 P112M30-C114 HydrophobicContact CE-CB 3.71Å; M30-C114 WeakPolarHBondContact CE-SG 3.35Å; S44-C114 WeakPolarHBondContact CB-SG 3.47Å; L46-C114 HydrophobicContact CD2-CB 4.14Å; H54-C114 PolarHBondContact CE1-O 3.15Å; H54-C114 WeakPolarHBondContact NE2-CB 3.24Å; H54-C114 PolarHBondContact NE2-O 3.17Å; L111-C114 VanDerWaalsContact O-CA 3.3Å; L111-C114 WeakPolarHBondContact O-CA 2.88Å; L111-C114 PolarHBondContact O-N 2.95Å; P112-C114 PolarHBondContact O-N 3.41Å
115H89.2Confident89Confident63 Ų6332.2 Ų32.229%0.29216%0.163SC..  trans-89140.2169-74.4111.2000110.8L111 C113 F117 L134L111-H115 WeakPolarHBondContact CB-O 2.91Å; L111-H115 PolarHBondContact N-O 3.41Å; C113-H115 PolarHBondContact O-N 2.96Å; C113-H115 PolarHBondContact SG-ND1 3.28Å; H115-F117 HydrophobicContact CB-CE2 3.68Å; H115-F117 HydrophobicContact CB-CZ 3.96Å; H115-L134 HydrophobicContact CB-CB 4.48Å; H115-L134 HydrophobicContact CB-CD1 4.03Å; H115-L134 WeakPolarHBondContact CD2-CD1 3.28Å
116E89.2Confident88.9Confident20 Ų2029.2 Ų29.29%0.09315%0.154CC..EExtended strand (participates in β ladder)trans-118.8135.1-164.2-40.4148.6136.300111.1H54 L57 M97 V107 S109 T110H54-E116 VanDerWaalsContact CE1-CD 3.44Å; H54-E116 IonicContact CE1-OE1 3.96Å; H54-E116 PolarHBondContact CE1-OE1 2.68Å; H54-E116 IonicContact CG-OE1 2.68Å; H54-E116 IonicContact ND1-OE1 3.05Å; H54-E116 PolarHBondContact ND1-OE1 3.35Å; L57-E116 HydrophobicContact CD2-CB 4.04Å; L57-E116 HydrophobicContact CD2-CG 3.86Å; L57-E116 WeakPolarHBondContact CD2-OE1 3.45Å; M97-E116 WeakPolarHBondContact CE-OE2 3.23Å; V107-E116 HydrophobicContact CG1-CB 3.37Å; V107-E116 HydrophobicContact CG1-CG 4.49Å; V107-E116 HydrophobicContact CG2-CB 4.48Å; S109-E116 WeakPolarHBondContact O-CA 3.42Å; T110-E116 HydrophobicContact CG2-CG 4.23Å
117F90.4Very high89.1Confident0 Ų033.2 Ų33.20%017%0.167CC..EExtended strand (participates in β ladder)trans-144.8169.9-175.7-52.3-84.9000110.6C100 I101 D108 S109 L111 H115 I122 P133 L134C100-F117 WeakPolarHBondContact SG-CE1 3.22Å; I101-F117 HydrophobicContact CD1-CD1 3.41Å; I101-F117 VanDerWaalsContact CD1-CD1 3.41Å; I101-F117 HydrophobicContact CD1-CE1 3.78Å; I101-F117 HydrophobicContact CD1-CG 4.21Å; I101-F117 HydrophobicContact CG1-CD1 3.79Å; I101-F117 HydrophobicContact CG1-CE1 4.03Å; D108-F117 PolarHBondContact N-O 3.07Å; S109-F117 PolarHBondContact N-O 3.42Å; S109-F117 PolarHBondContact O-N 2.96Å; S109-F117 VanDerWaalsContact O-O 3.1Å; S109-F117 PolarHBondContact OG-O 3.24Å; L111-F117 HydrophobicContact CD1-CD2 4.17Å; L111-F117 HydrophobicContact CD1-CE2 3.68Å; L111-F117 HydrophobicContact CG-CD2 4.18Å; L111-F117 HydrophobicContact CG-CE2 4.1Å; H115-F117 HydrophobicContact CB-CE2 3.68Å; H115-F117 HydrophobicContact CB-CZ 3.96Å; F117-I122 HydrophobicContact CB-CB 4.3Å; F117-I122 HydrophobicContact CD2-CD1 4.07Å; F117-I122 HydrophobicContact CE2-CD1 4.39Å; F117-P133 HydrophobicContact CE1-CB 4.08Å; F117-P133 HydrophobicContact CE1-CG 4.05Å; F117-P133 HydrophobicContact CE2-CG 4.36Å; F117-P133 HydrophobicContact CZ-CB 4.01Å; F117-P133 HydrophobicContact CZ-CG 3.87Å; F117-L134 HydrophobicContact CE1-CD1 4.05Å; F117-L134 HydrophobicContact CE1-CG 4.1Å; F117-L134 HydrophobicContact CZ-CB 4.48Å; F117-L134 HydrophobicContact CZ-CD1 3.77Å; F117-L134 HydrophobicContact CZ-CG 3.79Å
118C90.8Very high89.2Confident0 Ų041.9 Ų41.90%020%0.2CC..  trans-78.9146.816273.10000109.9C99 R105 P106 D108 V120 C121 I122C99-C118 HydrophobicContact CB-CB 3.77Å; C99-C118 PolarHBondContact SG-N 2.76Å; C99-C118 VanDerWaalsContact SG-SG 3.66Å; R105-C118 HydrophobicContact CB-CB 3.72Å; R105-C118 PolarHBondContact NE-SG 3.29Å; P106-C118 VanDerWaalsContact O-CB 3.27Å; P106-C118 WeakPolarHBondContact O-CB 3.38Å; D108-C118 VanDerWaalsContact OD1-CA 3.31Å; D108-C118 WeakPolarHBondContact OD1-CA 3.31Å; C118-V120 PolarHBondContact O-N 3.31Å; C118-C121 PolarHBondContact O-N 3.29Å; C118-C121 PolarHBondContact SG-SG 2.85Å; C118-I122 PolarHBondContact O-N 3.03Å; C118-I122 VanDerWaalsContact O-N 3.13Å
119T89.9Confident89.6Confident29 Ų2945.9 Ų45.918%0.17822%0.216CC..Hα-helixtrans-58.7-40.4-173.9-65.80000110.3D108 C121 I122 L123 L147D108-T119 VanDerWaalsContact CG-OG1 3.27Å; D108-T119 WeakPolarHBondContact OD1-CA 3.47Å; D108-T119 WeakPolarHBondContact OD1-CB 3.25Å; D108-T119 PolarHBondContact OD1-N 3.25Å; D108-T119 PolarHBondContact OD1-OG1 3.4Å; T119-C121 PolarHBondContact O-N 3.41Å; T119-I122 WeakPolarHBondContact O-CG2 3.42Å; T119-I122 PolarHBondContact O-N 3.35Å; T119-L123 HydrophobicContact CG2-CD1 3.63Å; T119-L123 HydrophobicContact CG2-CG 4.01Å; T119-L123 VanDerWaalsContact O-CB 3.3Å; T119-L123 WeakPolarHBondContact O-CB 3.41Å; T119-L123 WeakPolarHBondContact O-CG 3.29Å; T119-L123 PolarHBondContact O-N 3.22Å; T119-L147 HydrophobicContact CG2-CD2 3.93Å; T119-L147 WeakPolarHBondContact OG1-CD2 3.5Å
120V91.8Very high89.8Confident67 Ų6749.3 Ų49.341%0.40623%0.232SC..Hα-helixtrans-57.1-48.6177.2-179.40000111.4C118 Q124C118-V120 PolarHBondContact O-N 3.31Å; V120-Q124 WeakPolarHBondContact O-CB 3.44Å; V120-Q124 WeakPolarHBondContact O-CG 3.23Å; V120-Q124 PolarHBondContact O-N 2.85Å
121C94.3Very high90.1Very high8 Ų850.9 Ų50.95%0.05424%0.241CC..Hα-helixtrans-69-39.9-177.3-72.80000112.1I101 R105 C118 T119 W125I101-C121 HydrophobicContact CB-CB 4.05Å; I101-C121 HydrophobicContact CD1-CB 3.92Å; I101-C121 HydrophobicContact CG2-CB 4.05Å; R105-C121 PolarHBondContact NH2-SG 2.88Å; C118-C121 PolarHBondContact O-N 3.29Å; C118-C121 PolarHBondContact SG-SG 2.85Å; T119-C121 PolarHBondContact O-N 3.41Å; C121-W125 VanDerWaalsContact O-CB 3.3Å; C121-W125 WeakPolarHBondContact O-CB 3.38Å; C121-W125 PolarHBondContact O-N 3.06Å
122I91.5Very high90.3Very high3 Ų350.9 Ų50.92%0.01524%0.241CC..Hα-helixtrans-74.6-34.9-178.3-162.963.2000112.3L111 F117 C118 T119 W125 S126 P133 A145L111-I122 HydrophobicContact CD1-CD1 3.82Å; L111-I122 HydrophobicContact CD1-CG1 4.44Å; L111-I122 HydrophobicContact CD2-CD1 4.07Å; L111-I122 HydrophobicContact CD2-CG1 3.78Å; L111-I122 HydrophobicContact CG-CD1 4.23Å; L111-I122 HydrophobicContact CG-CG1 4.32Å; F117-I122 HydrophobicContact CB-CB 4.3Å; F117-I122 HydrophobicContact CD2-CD1 4.07Å; F117-I122 HydrophobicContact CE2-CD1 4.39Å; C118-I122 PolarHBondContact O-N 3.03Å; C118-I122 VanDerWaalsContact O-N 3.13Å; T119-I122 WeakPolarHBondContact O-CG2 3.42Å; T119-I122 PolarHBondContact O-N 3.35Å; I122-W125 PolarHBondContact O-N 3.28Å; I122-S126 WeakPolarHBondContact O-CB 3.39Å; I122-S126 PolarHBondContact O-N 3.44Å; I122-P133 HydrophobicContact CD1-CG 3.95Å; I122-A145 HydrophobicContact CG2-CB 4Å
123L90.5Very high90.8Very high76 Ų7652.5 Ų52.540%0.39825%0.252SS..Hα-helixtrans-62.8-49.5172-71.2179.4000110.6T119 W125 S126 E127 P142T119-L123 HydrophobicContact CG2-CD1 3.63Å; T119-L123 HydrophobicContact CG2-CG 4.01Å; T119-L123 VanDerWaalsContact O-CB 3.3Å; T119-L123 WeakPolarHBondContact O-CB 3.41Å; T119-L123 WeakPolarHBondContact O-CG 3.29Å; T119-L123 PolarHBondContact O-N 3.22Å; L123-W125 VanDerWaalsContact C-N 3.31Å; L123-W125 PolarHBondContact O-N 3.27Å; L123-S126 PolarHBondContact O-N 2.83Å; L123-S126 VanDerWaalsContact O-N 3.13Å; L123-S126 PolarHBondContact O-OG 2.96Å; L123-E127 PolarHBondContact O-N 2.89Å; L123-P142 HydrophobicContact CD2-CB 3.46Å; L123-P142 VanDerWaalsContact CD2-CB 3.46Å
124Q92.9Very high91.1Very high106 Ų10656 Ų5650%0.49527%0.269SS..Hα-helixtrans-58.5-43175.3-77.2-179.7-29.700112V120 S126 E127 Y128V120-Q124 WeakPolarHBondContact O-CB 3.44Å; V120-Q124 WeakPolarHBondContact O-CG 3.23Å; V120-Q124 PolarHBondContact O-N 2.85Å; Q124-S126 VanDerWaalsContact C-N 3.31Å; Q124-S126 PolarHBondContact O-N 3.03Å; Q124-E127 WeakPolarHBondContact O-CB 3.44Å; Q124-E127 PolarHBondContact O-N 2.92Å; Q124-Y128 WeakPolarHBondContact O-CD2 3.44Å
125W92.8Very high91.4Very high89 Ų8958.5 Ų58.534%0.33729%0.285SS..Hα-helixtrans-61.3-41.6176.8179.6-93000112C121 I122 L123 E127 Y128 K129 T131 P133C121-W125 VanDerWaalsContact O-CB 3.3Å; C121-W125 WeakPolarHBondContact O-CB 3.38Å; C121-W125 PolarHBondContact O-N 3.06Å; I122-W125 PolarHBondContact O-N 3.28Å; L123-W125 VanDerWaalsContact C-N 3.31Å; L123-W125 PolarHBondContact O-N 3.27Å; W125-E127 PolarHBondContact O-N 3.01Å; W125-Y128 PolarHBondContact O-N 2.95Å; W125-K129 VanDerWaalsContact CD1-O 3.32Å; W125-K129 HydrophobicContact CH2-CD 4.38Å; W125-K129 HydrophobicContact CZ2-CB 4.23Å; W125-K129 HydrophobicContact CZ2-CD 3.93Å; W125-K129 PolarHBondContact NE1-O 2.83Å; W125-K129 PolarHBondContact O-N 2.84Å; W125-T131 VanDerWaalsContact CD1-O 3.31Å; W125-T131 PolarHBondContact NE1-O 3.08Å; W125-P133 HydrophobicContact CD2-CB 4.47Å; W125-P133 HydrophobicContact CD2-CG 3.94Å; W125-P133 HydrophobicContact CG-CG 3.89Å; W125-P133 HydrophobicContact CZ2-CB 4.39Å
126S88.7Confident91.6Very high11 Ų1165.1 Ų65.18%0.07731%0.308CS..Hα-helixtrans-62.7-26.1179.877.80000113.3I122 L123 Q124 Y128 K129 Q130I122-S126 WeakPolarHBondContact O-CB 3.39Å; I122-S126 PolarHBondContact O-N 3.44Å; L123-S126 PolarHBondContact O-N 2.83Å; L123-S126 VanDerWaalsContact O-N 3.13Å; L123-S126 PolarHBondContact O-OG 2.96Å; Q124-S126 VanDerWaalsContact C-N 3.31Å; Q124-S126 PolarHBondContact O-N 3.03Å; S126-Y128 PolarHBondContact O-N 2.84Å; S126-K129 WeakPolarHBondContact CA-O 3.39Å; S126-Q130 PolarHBondContact O-NE2 3.19Å
127E89.9Confident91.6Very high146 Ų14667.6 Ų67.668%0.68232%0.321SS*.Hα-helixtrans-62-28.1173.5-63.7178.4174.100112.5L123 Q124 W125L123-E127 PolarHBondContact O-N 2.89Å; Q124-E127 WeakPolarHBondContact O-CB 3.44Å; Q124-E127 PolarHBondContact O-N 2.92Å; W125-E127 PolarHBondContact O-N 3.01Å
128Y89.6Confident91.5Very high190 Ų19075.4 Ų75.475%0.74536%0.358SS*.Hα-helixtrans-104.9-39.2-179.3-57.2-84.4000112.8Q124 W125 S126Q124-Y128 WeakPolarHBondContact O-CD2 3.44Å; W125-Y128 PolarHBondContact O-N 2.95Å; S126-Y128 PolarHBondContact O-N 2.84Å
129K92Very high91.2Very high121 Ų12176.1 Ų76.153%0.52636%0.362SS..  trans-143.6124.3-175.1-66.4-164.4178.3-166.60111.9W125 S126 T131W125-K129 VanDerWaalsContact CD1-O 3.32Å; W125-K129 HydrophobicContact CH2-CD 4.38Å; W125-K129 HydrophobicContact CZ2-CB 4.23Å; W125-K129 HydrophobicContact CZ2-CD 3.93Å; W125-K129 PolarHBondContact NE1-O 2.83Å; W125-K129 PolarHBondContact O-N 2.84Å; S126-K129 WeakPolarHBondContact CA-O 3.39Å; K129-T131 PolarHBondContact O-N 3.41Å
130Q89.8Confident90.5Very high72 Ų7279.5 Ų79.534%0.33639%0.386SS..SBendtrans-84.852.7174.3-64.2-64.3-28.800111.2S126 L139S126-Q130 PolarHBondContact O-NE2 3.19Å; Q130-L139 WeakPolarHBondContact CB-O 3.42Å; Q130-L139 PolarHBondContact O-N 2.9Å
131T93.1Very high89.5Confident34 Ų3476.5 Ų76.521%0.20937%0.369CS..BIsolated β-bridgetrans-143.1150.5179.8610000111W125 K129 L137 E138W125-T131 VanDerWaalsContact CD1-O 3.31Å; W125-T131 PolarHBondContact NE1-O 3.08Å; K129-T131 PolarHBondContact O-N 3.41Å; T131-L137 CarbonylContact C-O 3.58Å; T131-L137 WeakPolarHBondContact CA-O 3.41Å; T131-E138 HydrophobicContact CG2-CG 4.3Å
132C92.5Very high88.1Confident0 Ų078.6 Ų78.60%038%0.383CS..  trans-56.3130169.7176.90000111.9L111 C113 L134 C135 R136 L137L111-C132 HydrophobicContact CD1-CB 3.72Å; C113-C132 PolarHBondContact SG-SG 3.26Å; C132-L134 PolarHBondContact O-N 2.94Å; C132-L134 PolarHBondContact SG-N 2.75Å; C132-C135 VanDerWaalsContact CB-SG 3.56Å; C132-C135 PolarHBondContact SG-N 3.25Å; C132-C135 VanDerWaalsContact SG-N 3.45Å; C132-R136 WeakPolarHBondContact O-CA 3.43Å; C132-R136 PolarHBondContact O-N 3.18Å; C132-L137 HydrophobicContact CB-CB 4.41Å; C132-L137 PolarHBondContact N-O 2.86Å
133P94.2Very high87Confident36 Ų3682.5 Ų82.523%0.23440%0.401CS..THydrogen-bonded Turntrans-59.5-26.6175.8-25.533.4000114.7I101 F117 I122 W125I101-P133 HydrophobicContact CD1-CB 4.33Å; I101-P133 HydrophobicContact CD1-CG 4Å; F117-P133 HydrophobicContact CE1-CB 4.08Å; F117-P133 HydrophobicContact CE1-CG 4.05Å; F117-P133 HydrophobicContact CE2-CG 4.36Å; F117-P133 HydrophobicContact CZ-CB 4.01Å; F117-P133 HydrophobicContact CZ-CG 3.87Å; I122-P133 HydrophobicContact CD1-CG 3.95Å; W125-P133 HydrophobicContact CD2-CB 4.47Å; W125-P133 HydrophobicContact CD2-CG 3.94Å; W125-P133 HydrophobicContact CG-CG 3.89Å; W125-P133 HydrophobicContact CZ2-CB 4.39Å
134L92.8Very high86Confident97 Ų9780.2 Ų80.251%0.50839%0.389SS..THydrogen-bonded Turntrans-95.5-52.9-175.4-68.8175.1000112.9H115 F117 C132H115-L134 HydrophobicContact CB-CB 4.48Å; H115-L134 HydrophobicContact CB-CD1 4.03Å; H115-L134 WeakPolarHBondContact CD2-CD1 3.28Å; F117-L134 HydrophobicContact CE1-CD1 4.05Å; F117-L134 HydrophobicContact CE1-CG 4.1Å; F117-L134 HydrophobicContact CZ-CB 4.48Å; F117-L134 HydrophobicContact CZ-CD1 3.77Å; F117-L134 HydrophobicContact CZ-CG 3.79Å; C132-L134 PolarHBondContact O-N 2.94Å; C132-L134 PolarHBondContact SG-N 2.75Å
135C93.5Very high84.8Confident60 Ų6075.9 Ų75.941%0.40537%0.371SS..THydrogen-bonded Turntrans-105.5-5.6-176.168.30000115.1C113 C132 L137C113-C135 WeakPolarHBondContact CB-SG 3.34Å; C132-C135 VanDerWaalsContact CB-SG 3.56Å; C132-C135 PolarHBondContact SG-N 3.25Å; C132-C135 VanDerWaalsContact SG-N 3.45Å; C135-L137 PolarHBondContact O-N 2.86Å
136R93.1Very high84Confident203 Ų20371.8 Ų71.877%0.76636%0.355SS*.  trans62.515.3-178.6-48.2-179.8-178.8-162.80.4115.6C132 E138C132-R136 WeakPolarHBondContact O-CA 3.43Å; C132-R136 PolarHBondContact O-N 3.18Å; R136-E138 PolarHBondContact O-N 3.12Å
137L89.1Confident83.1Confident72 Ų7275.9 Ų75.938%0.37738%0.376SS..  trans-53.5130168.1-175.972.8000109C113 T131 C132 C135C113-L137 HydrophobicContact CB-CB 4.13Å; C113-L137 HydrophobicContact CB-CD2 3.64Å; T131-L137 CarbonylContact C-O 3.58Å; T131-L137 WeakPolarHBondContact CA-O 3.41Å; C132-L137 HydrophobicContact CB-CB 4.41Å; C132-L137 PolarHBondContact N-O 2.86Å; C135-L137 PolarHBondContact O-N 2.86Å
138E89.4Confident82Confident164 Ų16469 Ų6977%0.76634%0.344SS*.BIsolated β-bridgetrans-63.5138.8175.2-70.6-173.6163.400110.7T131 R136T131-E138 HydrophobicContact CG2-CG 4.3Å; R136-E138 PolarHBondContact O-N 3.12Å
139L84.4Confident80.7Confident15 Ų1563.9 Ų63.98%0.07933%0.332CS..  trans-112.6144.1174.9-54.2175.5000107.3L111 P112 Q130 G141 D144L111-L139 HydrophobicContact CD1-CD1 4.01Å; L111-L139 HydrophobicContact CD1-CD2 4.47Å; L111-L139 HydrophobicContact CD2-CD1 3.78Å; L111-L139 HydrophobicContact CD2-CD2 4.26Å; P112-L139 HydrophobicContact CG-CD2 4.2Å; Q130-L139 WeakPolarHBondContact CB-O 3.42Å; Q130-L139 PolarHBondContact O-N 2.9Å; L139-G141 PolarHBondContact O-N 2.83Å; L139-D144 HydrophobicContact CB-CB 4.36Å; L139-D144 HydrophobicContact CD2-CB 4.34Å
140S75.9Confident79.3Confident100 Ų10063.6 Ų63.670%0.69933%0.333SS*.SBendtrans-78-13.1176.5-35.80000112.1D144S140-D144 WeakPolarHBondContact CA-OD2 3.11Å; S140-D144 WeakPolarHBondContact CB-OD2 3.37Å; S140-D144 PolarHBondContact N-OD2 2.95Å; S140-D144 PolarHBondContact OG-OD2 3.39Å
141G69.6Low77.9Confident4 Ų462.7 Ų62.74%0.04134%0.338CS..SBendtrans163.9173.7-176.400000112.6L139 E143 D144L139-G141 PolarHBondContact O-N 2.83Å; G141-E143 WeakPolarHBondContact CA-OE2 3.23Å; G141-E143 PolarHBondContact O-N 2.93Å; G141-D144 WeakPolarHBondContact O-CB 3.26Å; G141-D144 PolarHBondContact O-N 2.88Å; G141-D144 VanDerWaalsContact O-N 3.08Å
142P65.3Low76.6Confident52 Ų5261.4 Ų61.434%0.33833%0.33SS..G310 helixtrans-58.2-23.2167.223.9-32.6000113L123 D144 A145L123-P142 HydrophobicContact CD2-CB 3.46Å; L123-P142 VanDerWaalsContact CD2-CB 3.46Å; P142-D144 PolarHBondContact O-N 2.72Å; P142-A145 WeakPolarHBondContact O-CB 3.12Å; P142-A145 PolarHBondContact O-N 2.96Å; P142-A145 VanDerWaalsContact O-N 3.08Å
143E67.2Low75.4Confident85 Ų8564.9 Ų64.940%0.39736%0.359SS..G310 helixtrans-61.1-20.8172.857.1-100.4-126.600114.7R3 G141 A145R3-E143 IonicContact NH2-OE1 3.21Å; G141-E143 WeakPolarHBondContact CA-OE2 3.23Å; G141-E143 PolarHBondContact O-N 2.93Å; E143-A145 PolarHBondContact O-N 2.74Å
144D69.5Low74.2Confident27 Ų2765.2 Ų65.214%0.14436%0.359CS..G310 helixtrans-78.1-13.3176.8-73.33.3000111.5P112 L139 S140 G141 P142 W146P112-D144 VanDerWaalsContact CD-O 3.27Å; P112-D144 WeakPolarHBondContact CD-O 3.42Å; P112-D144 HydrophobicContact CG-CB 3.91Å; P112-D144 WeakPolarHBondContact CG-O 3.26Å; L139-D144 HydrophobicContact CB-CB 4.36Å; L139-D144 HydrophobicContact CD2-CB 4.34Å; S140-D144 WeakPolarHBondContact CA-OD2 3.11Å; S140-D144 WeakPolarHBondContact CB-OD2 3.37Å; S140-D144 PolarHBondContact N-OD2 2.95Å; S140-D144 PolarHBondContact OG-OD2 3.39Å; G141-D144 WeakPolarHBondContact O-CB 3.26Å; G141-D144 PolarHBondContact O-N 2.88Å; G141-D144 VanDerWaalsContact O-N 3.08Å; P142-D144 PolarHBondContact O-N 2.72Å; D144-W146 PolarHBondContact O-N 3.38Å; D144-W146 PolarHBondContact O-NE1 3.48Å
145A69.4Low73.2Confident15 Ų1562.7 Ų62.712%0.12436%0.356CS..SBendtrans-73.3113.517100000109.9L111 I122 P142 E143 L147L111-A145 HydrophobicContact CD2-CB 3.92Å; I122-A145 HydrophobicContact CG2-CB 4Å; P142-A145 WeakPolarHBondContact O-CB 3.12Å; P142-A145 PolarHBondContact O-N 2.96Å; P142-A145 VanDerWaalsContact O-N 3.08Å; E143-A145 PolarHBondContact O-N 2.74Å; A145-L147 PolarHBondContact O-N 3.32Å
146W75Confident72.4Confident3 Ų362.9 Ų62.91%0.01136%0.362CS..EExtended strand (participates in β ladder)trans-77.1108.4-179.2-47.1-19.5000109.1I8 M30 Q32 H42 S109 T110 P112 D144 M148I8-W146 HydrophobicContact CD1-CB 4.41Å; I8-W146 HydrophobicContact CD1-CE3 4.18Å; I8-W146 HydrophobicContact CG1-CE3 4.32Å; M30-W146 HydrophobicContact CE-CE3 4.26Å; M30-W146 HydrophobicContact CE-CH2 4.38Å; M30-W146 HydrophobicContact CE-CZ3 3.49Å; M30-W146 VanDerWaalsContact CE-CZ3 3.49Å; M30-W146 HydrophobicContact CG-CZ3 4.08Å; M30-W146 HydrophobicContact SD-CZ3 4.28Å; Q32-W146 HydrophobicContact CB-CZ2 3.86Å; Q32-W146 VanDerWaalsContact CD-NE1 3.26Å; Q32-W146 VanDerWaalsContact OE1-CD1 3.27Å; H42-W146 HydrophobicContact CB-CZ2 4.04Å; S109-W146 CarbonylContact C-O 3.45Å; S109-W146 VanDerWaalsContact CA-O 3.25Å; S109-W146 WeakPolarHBondContact CA-O 3.17Å; T110-W146 HydrophobicContact CG2-CE3 4.01Å; T110-W146 HydrophobicContact CG2-CZ3 4.42Å; T110-W146 PolarHBondContact N-O 2.8Å; T110-W146 WeakPolarHBondContact O-CA 3.27Å; T110-W146 WeakPolarHBondContact O-CB 3.45Å; T110-W146 PolarHBondContact O-N 2.85Å; P112-W146 HydrophobicContact CB-CZ2 3.69Å; P112-W146 HydrophobicContact CG-CZ2 4.28Å; D144-W146 PolarHBondContact O-N 3.38Å; D144-W146 PolarHBondContact O-NE1 3.48Å; W146-M148 PolarHBondContact O-N 3.14Å
147L69.1Low71.8Confident98 Ų9853.8 Ų53.851%0.51333%0.328SS..EExtended strand (participates in β ladder)trans-68.2124.9167.3-64.1172.4000108.3T119 A145 T149T119-L147 HydrophobicContact CG2-CD2 3.93Å; T119-L147 WeakPolarHBondContact OG1-CD2 3.5Å; A145-L147 PolarHBondContact O-N 3.32Å; L147-T149 HydrophobicContact CB-CG2 3.88Å; L147-T149 PolarHBondContact O-N 3.1Å
148M68.6Low71.2Confident1 Ų154.5 Ų54.51%0.00533%0.331CS..  trans-75.262.5-175.8-59.517884.600110.6L57 L58 Y61 D108 T110 W146L57-M148 HydrophobicContact CB-CE 4.26Å; L57-M148 HydrophobicContact CD2-CE 3.72Å; L57-M148 HydrophobicContact CD2-SD 3.89Å; L57-M148 HydrophobicContact CG-CE 3.79Å; L57-M148 HydrophobicContact CG-SD 4.25Å; L58-M148 HydrophobicContact CB-CE 4.06Å; L58-M148 HydrophobicContact CD2-CB 4.18Å; L58-M148 HydrophobicContact CD2-CE 3.22Å; L58-M148 HydrophobicContact CD2-CG 4.17Å; L58-M148 HydrophobicContact CG-CE 3.31Å; Y61-M148 HydrophobicContact CD1-CB 4.07Å; Y61-M148 WeakPolarHBondContact CD1-O 3.24Å; Y61-M148 HydrophobicContact CE1-CB 4.43Å; Y61-M148 WeakPolarHBondContact CE1-O 3.47Å; Y61-M148 HydrophobicContact CG-CB 4.25Å; D108-M148 PolarHBondContact O-N 2.71Å; T110-M148 PolarHBondContact OG1-SD 3.48Å; W146-M148 PolarHBondContact O-N 3.14Å
149T62.1Low70.8Confident82 Ų8252.1 Ų52.150%0.50332%0.323SS..  trans-82.5-20.8-168.752.70000114.3L147L147-T149 HydrophobicContact CB-CG2 3.88Å; L147-T149 PolarHBondContact O-N 3.1Å
150Q60.9Low70.6Confident116 Ų11653.7 Ų53.754%0.54233%0.33SS..SBendtrans-146.4149.3-178.2-61.4-175.318.800111.5
151A60.6Low70.7Confident53 Ų5352.7 Ų52.744%0.43831%0.312SS..  trans-75130.3174.900000107.1L62 A153L62-A151 HydrophobicContact CD1-CB 3.13Å; A151-A153 PolarHBondContact O-N 2.91Å
152P65.5Low71.1Confident6 Ų655.2 Ų55.24%0.03933%0.332CS..  trans-54.7138.7160.716.1-23.8000109.5I8 F10 L58 L154I8-P152 HydrophobicContact CG2-CB 4.5Å; I8-P152 HydrophobicContact CG2-CG 4.19Å; I8-P152 WeakPolarHBondContact O-CB 3.42Å; F10-P152 HydrophobicContact CD2-CB 3.68Å; F10-P152 HydrophobicContact CD2-CG 3.55Å; F10-P152 HydrophobicContact CE2-CB 3.88Å; F10-P152 HydrophobicContact CE2-CG 3.19Å; F10-P152 HydrophobicContact CZ-CG 4.25Å; L58-P152 HydrophobicContact CD1-CG 3.8Å; P152-L154 VanDerWaalsContact C-N 3.35Å; P152-L154 PolarHBondContact O-N 3.35Å
153A68Low71.9Confident74 Ų7455.4 Ų55.461%0.61234%0.335SS*.  trans-66.390.5178.400000110.6A151 G155 A156 F157A151-A153 PolarHBondContact O-N 2.91Å; A153-G155 PolarHBondContact O-N 3.48Å; A153-A156 HydrophobicContact CB-CB 4.36Å; A153-A156 PolarHBondContact O-N 3.21Å; A153-F157 PolarHBondContact O-N 3.35Å
154L69Low72.3Confident43 Ų4355.3 Ų55.323%0.22533%0.331CS..Hα-helixtrans-61.5-33.4-178.3-175.672.9000112.4F51 Y55 P152 A156 F157 I158F51-L154 HydrophobicContact CZ-CD1 4.02Å; Y55-L154 HydrophobicContact CD1-CD1 4.5Å; Y55-L154 HydrophobicContact CD2-CD1 3.92Å; Y55-L154 HydrophobicContact CE1-CD1 4.14Å; Y55-L154 HydrophobicContact CE1-CD2 3.63Å; Y55-L154 HydrophobicContact CE1-CG 4.29Å; Y55-L154 HydrophobicContact CE2-CB 3.68Å; Y55-L154 HydrophobicContact CE2-CD1 3.54Å; Y55-L154 HydrophobicContact CE2-CD2 4.19Å; Y55-L154 HydrophobicContact CE2-CG 3.95Å; Y55-L154 HydrophobicContact CG-CD1 4.41Å; Y55-L154 VanDerWaalsContact CZ-CD2 3.43Å; Y55-L154 WeakPolarHBondContact OH-CB 3.49Å; Y55-L154 VanDerWaalsContact OH-CD2 3.26Å; Y55-L154 WeakPolarHBondContact OH-CD2 3.21Å; P152-L154 VanDerWaalsContact C-N 3.35Å; P152-L154 PolarHBondContact O-N 3.35Å; L154-A156 VanDerWaalsContact C-N 3.31Å; L154-A156 PolarHBondContact O-N 2.95Å; L154-F157 HydrophobicContact CD1-CD1 3.77Å; L154-F157 CarbonylContact O-C 3.59Å; L154-F157 WeakPolarHBondContact O-CB 3.44Å; L154-F157 PolarHBondContact O-N 3.42Å; L154-F157 VanDerWaalsContact O-N 3.09Å; L154-I158 HydrophobicContact CD1-CD1 4.49Å; L154-I158 HydrophobicContact CD1-CG1 4.34Å; L154-I158 HydrophobicContact CD2-CD1 3.71Å; L154-I158 HydrophobicContact CD2-CG1 4.44Å; L154-I158 HydrophobicContact CG-CD1 3.72Å; L154-I158 HydrophobicContact CG-CG1 4Å; L154-I158 WeakPolarHBondContact O-CG1 3.31Å; L154-I158 PolarHBondContact O-N 3.43Å
155G72.9Confident72.3Confident44 Ų4455.2 Ų55.245%0.45433%0.33SS..Hα-helixtrans-54.3-49.7176.800000111.6A153 F157 I158 D159A153-G155 PolarHBondContact O-N 3.48Å; G155-F157 VanDerWaalsContact C-N 3.31Å; G155-F157 PolarHBondContact O-N 2.82Å; G155-I158 PolarHBondContact O-N 3.27Å; G155-D159 VanDerWaalsContact O-CG 3.25Å; G155-D159 PolarHBondContact O-N 2.84Å
156A76.4Confident72.2Confident63 Ų6356.8 Ų56.852%0.52135%0.348SS..Hα-helixtrans-61.6-38.3177.100000112.4A153 L154 E160A153-A156 HydrophobicContact CB-CB 4.36Å; A153-A156 PolarHBondContact O-N 3.21Å; L154-A156 VanDerWaalsContact C-N 3.31Å; L154-A156 PolarHBondContact O-N 2.95Å; A156-E160 WeakPolarHBondContact O-CB 3.47Å; A156-E160 PolarHBondContact O-N 3.21Å
157F79.6Confident71.4Confident13 Ų1365.4 Ų65.46%0.05738%0.38CS..Hα-helixtrans-66.2-43.3174.9170.9-99.6000112.7F10 V12 V28 F51 A153 L154 G155 D159 E160 Y161F10-F157 HydrophobicContact CB-CB 4.33Å; F10-F157 HydrophobicContact CB-CD2 3.52Å; F10-F157 HydrophobicContact CB-CE2 3.98Å; F10-F157 HydrophobicContact CB-CG 3.94Å; V12-F157 HydrophobicContact CG2-CD2 3.97Å; V12-F157 HydrophobicContact CG2-CE2 3.41Å; V12-F157 VanDerWaalsContact CG2-CE2 3.41Å; V12-F157 HydrophobicContact CG2-CZ 4.01Å; V28-F157 HydrophobicContact CG1-CE2 3.74Å; V28-F157 HydrophobicContact CG1-CZ 3.95Å; V28-F157 HydrophobicContact CG2-CE2 4.21Å; V28-F157 HydrophobicContact CG2-CZ 3.79Å; F51-F157 AromaticContact CE1-CE1 3.67Å; F51-F157 HydrophobicContact CE1-CE1 3.67Å; F51-F157 HydrophobicContact CE1-CZ 4.13Å; F51-F157 HydrophobicContact CE2-CD1 4.48Å; F51-F157 HydrophobicContact CE2-CE1 4.09Å; F51-F157 HydrophobicContact CE2-CZ 4.26Å; F51-F157 AromaticContact CZ-CD1 3.84Å; F51-F157 HydrophobicContact CZ-CD1 3.84Å; F51-F157 AromaticContact CZ-CE1 3.35Å; F51-F157 HydrophobicContact CZ-CE1 3.35Å; F51-F157 AromaticContact CZ-CZ 3.9Å; F51-F157 HydrophobicContact CZ-CZ 3.9Å; A153-F157 PolarHBondContact O-N 3.35Å; L154-F157 HydrophobicContact CD1-CD1 3.77Å; L154-F157 CarbonylContact O-C 3.59Å; L154-F157 WeakPolarHBondContact O-CB 3.44Å; L154-F157 PolarHBondContact O-N 3.42Å; L154-F157 VanDerWaalsContact O-N 3.09Å; G155-F157 VanDerWaalsContact C-N 3.31Å; G155-F157 PolarHBondContact O-N 2.82Å; F157-D159 VanDerWaalsContact C-N 3.34Å; F157-E160 PolarHBondContact O-N 3.28Å; F157-Y161 WeakPolarHBondContact O-CB 3.35Å; F157-Y161 PolarHBondContact O-N 2.8Å
158I77Confident70.6Confident87 Ų8763.6 Ų63.645%0.44637%0.371SS..Hα-helixtrans-63.4-43.3177.2-69.8168.7000110L154 G155 E160 Y161 A162L154-I158 HydrophobicContact CD1-CD1 4.49Å; L154-I158 HydrophobicContact CD1-CG1 4.34Å; L154-I158 HydrophobicContact CD2-CD1 3.71Å; L154-I158 HydrophobicContact CD2-CG1 4.44Å; L154-I158 HydrophobicContact CG-CD1 3.72Å; L154-I158 HydrophobicContact CG-CG1 4Å; L154-I158 WeakPolarHBondContact O-CG1 3.31Å; L154-I158 PolarHBondContact O-N 3.43Å; G155-I158 PolarHBondContact O-N 3.27Å; I158-E160 VanDerWaalsContact C-N 3.34Å; I158-Y161 PolarHBondContact O-N 3.34Å; I158-A162 WeakPolarHBondContact O-CB 3.42Å; I158-A162 PolarHBondContact O-N 3.09Å
159D80.4Confident69.4Low113 Ų11373.3 Ų73.360%0.60442%0.422SS*.Hα-helixtrans-63-42.4177.4-68.1-25000111.1G155 F157 S163G155-D159 VanDerWaalsContact O-CG 3.25Å; G155-D159 PolarHBondContact O-N 2.84Å; F157-D159 VanDerWaalsContact C-N 3.34Å; D159-S163 VanDerWaalsContact O-CB 3.27Å; D159-S163 WeakPolarHBondContact O-CB 3.36Å; D159-S163 PolarHBondContact O-N 3.25Å
160E80.9Confident69.8Low48 Ų4872.9 Ų72.922%0.22442%0.418CS..Hα-helixtrans-61.1-47.2173.2-174.3-179.3179.400111.3V12 A156 F157 I158 S163 R164V12-E160 HydrophobicContact CB-CG 4.46Å; V12-E160 HydrophobicContact CG2-CG 4.37Å; A156-E160 WeakPolarHBondContact O-CB 3.47Å; A156-E160 PolarHBondContact O-N 3.21Å; F157-E160 PolarHBondContact O-N 3.28Å; I158-E160 VanDerWaalsContact C-N 3.34Å; E160-S163 PolarHBondContact O-N 3.29Å; E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 3.43Å; E160-R164 IonicContact OE1-CZ 3.43Å; E160-R164 IonicContact OE1-NE 2.91Å; E160-R164 PolarHBondContact OE1-NE 3.15Å; E160-R164 IonicContact OE1-NH2 3.39Å; E160-R164 PolarHBondContact OE1-NH2 3.45Å
161Y76.9Confident70.2Confident80 Ų8070.6 Ų70.631%0.31441%0.411SS..Hα-helixtrans-58.7-50.4177.8-176.1-84.3000111.8V12 V26 F157 I158 S163 R164 M165V12-Y161 HydrophobicContact CG1-CD2 4.26Å; V12-Y161 HydrophobicContact CG2-CD2 3.93Å; V12-Y161 HydrophobicContact CG2-CG 4.33Å; V26-Y161 HydrophobicContact CB-CE2 4.06Å; V26-Y161 HydrophobicContact CG1-CD2 4.11Å; V26-Y161 HydrophobicContact CG1-CE2 3.7Å; V26-Y161 HydrophobicContact CG2-CE2 3.81Å; F157-Y161 WeakPolarHBondContact O-CB 3.35Å; F157-Y161 PolarHBondContact O-N 2.8Å; I158-Y161 PolarHBondContact O-N 3.34Å; Y161-S163 VanDerWaalsContact C-N 3.33Å; Y161-S163 PolarHBondContact O-N 3.36Å; Y161-R164 PolarHBondContact O-N 3.36Å; Y161-M165 HydrophobicContact CD1-CG 3.99Å; Y161-M165 HydrophobicContact CE1-CG 3.63Å; Y161-M165 HydrophobicContact CE2-CG 4.36Å; Y161-M165 HydrophobicContact CG-CG 4.46Å; Y161-M165 WeakPolarHBondContact O-CB 3.41Å; Y161-M165 VanDerWaalsContact O-CG 3.31Å; Y161-M165 WeakPolarHBondContact O-CG 3.43Å; Y161-M165 PolarHBondContact O-N 2.96Å
162A78.8Confident70.8Confident57 Ų5771.6 Ų71.647%0.47141%0.41SS..Hα-helixtrans-61.1-41.7177.800000111.6I158 R164 G166I158-A162 WeakPolarHBondContact O-CB 3.42Å; I158-A162 PolarHBondContact O-N 3.09Å; A162-R164 VanDerWaalsContact C-N 3.34Å; A162-R164 PolarHBondContact O-N 2.84Å; A162-G166 PolarHBondContact O-N 2.91Å
163S82.2Confident71.1Confident56 Ų5675.4 Ų75.439%0.39243%0.431SS..Hα-helixtrans-64.9-35178.1-177.90000113.2D159 E160 Y161 R167D159-S163 VanDerWaalsContact O-CB 3.27Å; D159-S163 WeakPolarHBondContact O-CB 3.36Å; D159-S163 PolarHBondContact O-N 3.25Å; E160-S163 PolarHBondContact O-N 3.29Å; Y161-S163 VanDerWaalsContact C-N 3.33Å; Y161-S163 PolarHBondContact O-N 3.36Å; S163-R167 WeakPolarHBondContact O-CG 3.27Å; S163-R167 PolarHBondContact O-NE 2.95Å; S163-R167 VanDerWaalsContact O-NE 3.15Å; S163-R167 PolarHBondContact OG-NH2 2.91Å
164R74.6Confident71.3Confident82 Ų8275.5 Ų75.531%0.30942%0.42SS..Hα-helixtrans-78.2-45.4178.3-70.7-164.6-170.7-146.110.8111.7V12 L14 E160 Y161 A162 G166 R167V12-R164 PolarHBondContact O-NH1 3.22Å; V12-R164 VanDerWaalsContact O-NH1 3.14Å; V12-R164 PolarHBondContact O-NH2 2.91Å; L14-R164 HydrophobicContact CD1-CB 3.81Å; E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 3.43Å; E160-R164 IonicContact OE1-CZ 3.43Å; E160-R164 IonicContact OE1-NE 2.91Å; E160-R164 PolarHBondContact OE1-NE 3.15Å; E160-R164 IonicContact OE1-NH2 3.39Å; E160-R164 PolarHBondContact OE1-NH2 3.45Å; Y161-R164 PolarHBondContact O-N 3.36Å; A162-R164 VanDerWaalsContact C-N 3.34Å; A162-R164 PolarHBondContact O-N 2.84Å; R164-G166 VanDerWaalsContact C-N 3.32Å; R164-G166 PolarHBondContact O-N 3.31Å; R164-R167 PolarHBondContact O-N 2.67Å
165M70.4Confident71.4Confident25 Ų2577.7 Ų77.712%0.12343%0.433CS..Hα-helixtrans-68.1-30.6178.6-64.1-55.6-6200113.2L14 F24 V26 Y161 R167L14-M165 HydrophobicContact CD2-SD 4.24Å; F24-M165 HydrophobicContact CD1-CE 3.22Å; F24-M165 HydrophobicContact CE1-CE 3.33Å; F24-M165 HydrophobicContact CG-CE 3.88Å; F24-M165 HydrophobicContact CZ-CE 4.09Å; V26-M165 HydrophobicContact CG2-SD 3.76Å; Y161-M165 HydrophobicContact CD1-CG 3.99Å; Y161-M165 HydrophobicContact CE1-CG 3.63Å; Y161-M165 HydrophobicContact CE2-CG 4.36Å; Y161-M165 HydrophobicContact CG-CG 4.46Å; Y161-M165 WeakPolarHBondContact O-CB 3.41Å; Y161-M165 VanDerWaalsContact O-CG 3.31Å; Y161-M165 WeakPolarHBondContact O-CG 3.43Å; Y161-M165 PolarHBondContact O-N 2.96Å; M165-R167 PolarHBondContact O-N 3.28Å
166G67Low71.3Confident48 Ų4880.1 Ų80.150%0.49543%0.432SS..THydrogen-bonded Turntrans-75.1-4.8178.800000115.1A162 R164A162-G166 PolarHBondContact O-N 2.91Å; R164-G166 VanDerWaalsContact C-N 3.32Å; R164-G166 PolarHBondContact O-N 3.31Å
167R59.6Low70.9Confident185 Ų18581.4 Ų81.470%0.69843%0.425SS*.THydrogen-bonded Turntrans-85.2-12.6174.9-71178.3-145.8-146.55.2113.5S163 R164 M165S163-R167 WeakPolarHBondContact O-CG 3.27Å; S163-R167 PolarHBondContact O-NE 2.95Å; S163-R167 VanDerWaalsContact O-NE 3.15Å; S163-R167 PolarHBondContact OG-NH2 2.91Å; R164-R167 PolarHBondContact O-N 2.67Å; M165-R167 PolarHBondContact O-N 3.28Å
168D51.4Low70.2Confident60 Ų6087.1 Ų87.132%0.32146%0.455SS..  trans-108.312.5-174.3-66.9-43.1000114.3Q23Q23-D168 PolarHBondContact OE1-OD2 3.39Å
169L43.1Very low69.6Low204 Ų20487.1 Ų87.1100%1.06846%0.456SS*.  trans-118.20172.9-71.3171.7000110.9

Retrieved 169 of 169 residues in 146.4 ms (Link to these results)

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