A0A060XX64_ONCMY Loading...

CDAN1-interacting nuclease 1

AlphaFold DB , UniProt , Accession A0A060XX64, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene cdin1, Length 336 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
1M88.1Confident95.5Very high67 Ų6762.2 Ų62.233%0.3331%0.311SS..  0129.60-166.3173-81.200110.3L3 H35 T39 G296 F297 D313M1-L3 HydrophobicContact CB-CD1 4.12Å; M1-L3 HydrophobicContact CG-CD1 3.63Å; M1-L3 HydrophobicContact SD-CD1 3.98Å; M1-H35 HydrophobicContact SD-CB 4.11Å; M1-H35 VanDerWaalsContact SD-CD2 3.57Å; M1-T39 HydrophobicContact SD-CG2 4.42Å; M1-G296 CarbonylContact O-C 3.11Å; M1-G296 WeakPolarHBondContact O-CA 3.13Å; M1-F297 PolarHBondContact O-N 2.94Å; M1-F297 VanDerWaalsContact O-N 3.09Å; M1-D313 WeakPolarHBondContact CA-OD2 3.45Å; M1-D313 PolarHBondContact N-OD2 2.87Å
2K94.8Very high95.5Very high93 Ų9358.7 Ų58.740%0.40430%0.295SS..EExtended strand (participates in β ladder)trans-94.4125.5170-60.3-172-175.1-170.30109.3F297 D302 D313K2-F297 HydrophobicContact CD-CE1 4.26Å; K2-F297 HydrophobicContact CD-CZ 3.83Å; K2-F297 HydrophobicContact CG-CE1 3.78Å; K2-F297 HydrophobicContact CG-CZ 3.79Å; K2-D302 IonicContact NZ-OD2 2.96Å; K2-D313 PolarHBondContact N-OD2 3.16Å
3L96.6Very high95.4Very high3 Ų364.9 Ų64.92%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-107.9143.5176.7-82.364.2000109.1M1 I11 T39 I43 F265 F297 I298 G299M1-L3 HydrophobicContact CB-CD1 4.12Å; M1-L3 HydrophobicContact CG-CD1 3.63Å; M1-L3 HydrophobicContact SD-CD1 3.98Å; L3-I11 HydrophobicContact CD2-CD1 3.64Å; L3-T39 HydrophobicContact CD1-CG2 4.19Å; L3-I43 HydrophobicContact CD2-CD1 3.9Å; L3-F265 HydrophobicContact CB-CZ 4.33Å; L3-F265 HydrophobicContact CD1-CE2 4.03Å; L3-F265 HydrophobicContact CD1-CZ 4.49Å; L3-F265 HydrophobicContact CD2-CE2 3.99Å; L3-F265 HydrophobicContact CD2-CZ 3.95Å; L3-F265 HydrophobicContact CG-CE2 4.46Å; L3-F265 HydrophobicContact CG-CZ 4.5Å; L3-F297 PolarHBondContact N-O 2.95Å; L3-I298 CarbonylContact O-C 3.56Å; L3-I298 WeakPolarHBondContact O-CA 3.44Å; L3-G299 PolarHBondContact O-N 3.21Å
4S96.9Very high95.1Very high41 Ų4160.7 Ų60.729%0.28730%0.299SS..  trans-66.9154.8162.768.30000110.4A6 E7 Y8S4-A6 PolarHBondContact O-N 2.97Å; S4-E7 VanDerWaalsContact CB-OE2 3.31Å; S4-E7 WeakPolarHBondContact CB-OE2 3.49Å; S4-E7 PolarHBondContact N-OE2 3Å; S4-E7 PolarHBondContact O-N 3Å; S4-E7 VanDerWaalsContact OG-CG 3.25Å; S4-E7 WeakPolarHBondContact OG-CG 3.18Å; S4-E7 PolarHBondContact OG-N 3.17Å; S4-E7 PolarHBondContact OG-OE2 3.42Å; S4-Y8 PolarHBondContact O-N 3.02Å
5R96.7Very high94.8Very high70 Ų7056.7 Ų56.726%0.26428%0.279SS..Hα-helixtrans-59.4-30.7173.8-174.3176.5-63.9-93.5-5.2112.7K9 D268 I298 E300R5-K9 WeakPolarHBondContact O-CB 3.38Å; R5-K9 VanDerWaalsContact O-CG 3.25Å; R5-K9 WeakPolarHBondContact O-CG 3.47Å; R5-K9 PolarHBondContact O-N 3.06Å; R5-D268 IonicContact CZ-OD1 3.79Å; R5-D268 IonicContact CZ-OD2 3.63Å; R5-D268 IonicContact NH1-OD1 2.69Å; R5-D268 PolarHBondContact NH1-OD1 2.94Å; R5-D268 IonicContact NH1-OD2 3.17Å; R5-D268 PolarHBondContact NH1-OD2 3.35Å; R5-D268 IonicContact NH2-OD1 3.81Å; R5-D268 PolarHBondContact NH2-OD1 2.99Å; R5-D268 IonicContact NH2-OD2 2.7Å; R5-I298 HydrophobicContact CB-CG2 3.92Å; R5-I298 HydrophobicContact CG-CG2 4.48Å; R5-E300 VanDerWaalsContact CB-OE1 3.23Å; R5-E300 WeakPolarHBondContact CB-OE1 3.41Å; R5-E300 PolarHBondContact N-OE1 2.91Å; R5-E300 PolarHBondContact N-OE2 3.46Å
6A96.9Very high94.2Very high72 Ų7259.8 Ų59.860%0.59529%0.293SS*.Hα-helixtrans-67.1-48.5176.200000111.3S4 K9 E10S4-A6 PolarHBondContact O-N 2.97Å; A6-K9 PolarHBondContact O-N 3.42Å; A6-E10 PolarHBondContact O-N 3.04Å
7E95.9Very high93.5Very high83 Ų8365 Ų6539%0.38832%0.316SS..Hα-helixtrans-61.3-45.7176.3-71.6163.8126.400111.5S4 K9 E10 I11S4-E7 VanDerWaalsContact CB-OE2 3.31Å; S4-E7 WeakPolarHBondContact CB-OE2 3.49Å; S4-E7 PolarHBondContact N-OE2 3Å; S4-E7 PolarHBondContact O-N 3Å; S4-E7 VanDerWaalsContact OG-CG 3.25Å; S4-E7 WeakPolarHBondContact OG-CG 3.18Å; S4-E7 PolarHBondContact OG-N 3.17Å; S4-E7 PolarHBondContact OG-OE2 3.42Å; E7-K9 VanDerWaalsContact C-N 3.33Å; E7-K9 PolarHBondContact O-N 2.92Å; E7-E10 WeakPolarHBondContact O-CB 3.32Å; E7-E10 PolarHBondContact O-N 2.82Å; E7-E10 VanDerWaalsContact O-N 3.13Å; E7-I11 WeakPolarHBondContact O-CG1 3.43Å; E7-I11 PolarHBondContact O-N 2.82Å
8Y96.9Very high93Very high17 Ų1762.3 Ų62.37%0.06730%0.303CS..Hα-helixtrans-56-47.2174.9167.4-105.5000111.4S4 E10 I11 V12 I43 E47 K50 F265 D267 I298S4-Y8 PolarHBondContact O-N 3.02Å; Y8-E10 VanDerWaalsContact C-N 3.29Å; Y8-E10 PolarHBondContact O-N 3.1Å; Y8-I11 PolarHBondContact O-N 3.09Å; Y8-V12 HydrophobicContact CD1-CG2 4.21Å; Y8-V12 HydrophobicContact CD2-CG2 4Å; Y8-V12 HydrophobicContact CE1-CG2 3.79Å; Y8-V12 HydrophobicContact CE2-CG2 3.52Å; Y8-V12 HydrophobicContact CG-CG2 4.32Å; Y8-V12 VanDerWaalsContact CZ-CG2 3.42Å; Y8-V12 VanDerWaalsContact O-CG2 3.25Å; Y8-V12 WeakPolarHBondContact O-CG2 3.13Å; Y8-V12 PolarHBondContact O-N 2.98Å; Y8-I43 HydrophobicContact CD2-CD1 4.38Å; Y8-I43 HydrophobicContact CD2-CG1 4.46Å; Y8-I43 HydrophobicContact CD2-CG2 4.34Å; Y8-I43 HydrophobicContact CE2-CG2 4.05Å; Y8-E47 PolarHBondContact OH-OE1 3.11Å; Y8-K50 PolarHBondContact OH-NZ 2.79Å; Y8-K50 VanDerWaalsContact OH-NZ 3.17Å; Y8-F265 HydrophobicContact CD2-CD1 4.33Å; Y8-F265 AromaticContact CD2-CE1 3.51Å; Y8-F265 HydrophobicContact CD2-CE1 3.51Å; Y8-F265 HydrophobicContact CD2-CZ 4.05Å; Y8-F265 HydrophobicContact CE2-CD1 4.23Å; Y8-F265 AromaticContact CE2-CE1 3.81Å; Y8-F265 HydrophobicContact CE2-CE1 3.81Å; Y8-F265 HydrophobicContact CG-CE1 4.34Å; Y8-D267 HydrophobicContact CE1-CB 4.48Å; Y8-D267 HydrophobicContact CE2-CB 4.28Å; Y8-I298 HydrophobicContact CD1-CD1 3.38Å; Y8-I298 HydrophobicContact CD1-CG1 4.04Å; Y8-I298 HydrophobicContact CD2-CD1 4.34Å; Y8-I298 HydrophobicContact CD2-CG1 4.36Å; Y8-I298 HydrophobicContact CE1-CD1 3.68Å; Y8-I298 HydrophobicContact CG-CD1 3.74Å; Y8-I298 HydrophobicContact CG-CG1 3.87Å
9K96.4Very high92.1Very high132 Ų13266.5 Ų66.557%0.57432%0.316SS*.Hα-helixtrans-61.1-35.7177.6-78.2175.7178.4-178.50112.9R5 A6 E7 V12 K13R5-K9 WeakPolarHBondContact O-CB 3.38Å; R5-K9 VanDerWaalsContact O-CG 3.25Å; R5-K9 WeakPolarHBondContact O-CG 3.47Å; R5-K9 PolarHBondContact O-N 3.06Å; A6-K9 PolarHBondContact O-N 3.42Å; E7-K9 VanDerWaalsContact C-N 3.33Å; E7-K9 PolarHBondContact O-N 2.92Å; K9-V12 PolarHBondContact O-N 2.97Å; K9-K13 WeakPolarHBondContact O-CB 3.42Å; K9-K13 PolarHBondContact O-N 2.89Å
10E96.1Very high91.1Very high106 Ų10664 Ų6450%0.49531%0.305SS..Hα-helixtrans-66.3-43.3176-170177.4-172.200111.9A6 E7 Y8 K13 C14 F32A6-E10 PolarHBondContact O-N 3.04Å; E7-E10 WeakPolarHBondContact O-CB 3.32Å; E7-E10 PolarHBondContact O-N 2.82Å; E7-E10 VanDerWaalsContact O-N 3.13Å; Y8-E10 VanDerWaalsContact C-N 3.29Å; Y8-E10 PolarHBondContact O-N 3.1Å; E10-K13 PolarHBondContact O-N 2.9Å; E10-C14 PolarHBondContact O-N 3.47Å; E10-F32 HydrophobicContact CG-CE1 4.03Å; E10-F32 HydrophobicContact CG-CZ 4.16Å
11I95.4Very high90.2Very high0 Ų063.3 Ų63.30%031%0.305CS..Hα-helixtrans-61.8-47.2174.8-62.3167.2000110.1L3 E7 Y8 K13 C14 T15 F32 L40 I43L3-I11 HydrophobicContact CD2-CD1 3.64Å; E7-I11 WeakPolarHBondContact O-CG1 3.43Å; E7-I11 PolarHBondContact O-N 2.82Å; Y8-I11 PolarHBondContact O-N 3.09Å; I11-K13 VanDerWaalsContact C-N 3.35Å; I11-K13 PolarHBondContact O-N 3.23Å; I11-C14 WeakPolarHBondContact O-CA 3.48Å; I11-C14 WeakPolarHBondContact O-CB 3.48Å; I11-C14 PolarHBondContact O-N 3.42Å; I11-C14 VanDerWaalsContact O-N 3.07Å; I11-T15 HydrophobicContact CG2-CG2 4.24Å; I11-T15 WeakPolarHBondContact O-CG2 3.33Å; I11-T15 PolarHBondContact O-N 2.84Å; I11-F32 HydrophobicContact CB-CE2 4.3Å; I11-F32 HydrophobicContact CB-CZ 4.26Å; I11-F32 HydrophobicContact CG1-CD1 3.83Å; I11-F32 HydrophobicContact CG1-CD2 4.06Å; I11-F32 HydrophobicContact CG1-CE1 3.71Å; I11-F32 HydrophobicContact CG1-CE2 3.95Å; I11-F32 HydrophobicContact CG1-CG 4Å; I11-F32 HydrophobicContact CG1-CZ 3.77Å; I11-F32 HydrophobicContact CG2-CE2 4.42Å; I11-L40 HydrophobicContact CD1-CD2 4.06Å; I11-L40 HydrophobicContact CG1-CD2 4.46Å; I11-L40 HydrophobicContact CG2-CD2 4.18Å; I11-I43 HydrophobicContact CD1-CD1 3.94Å; I11-I43 HydrophobicContact CG2-CB 4.37Å; I11-I43 HydrophobicContact CG2-CD1 4.21Å; I11-I43 HydrophobicContact CG2-CG2 3.72Å
12V94.8Very high89.3Confident20 Ų2071.1 Ų71.112%0.12133%0.331CS..Hα-helixtrans-55.8-49.1177.4172.70000110.7Y8 K9 C14 T15 E16 I43 E47Y8-V12 HydrophobicContact CD1-CG2 4.21Å; Y8-V12 HydrophobicContact CD2-CG2 4Å; Y8-V12 HydrophobicContact CE1-CG2 3.79Å; Y8-V12 HydrophobicContact CE2-CG2 3.52Å; Y8-V12 HydrophobicContact CG-CG2 4.32Å; Y8-V12 VanDerWaalsContact CZ-CG2 3.42Å; Y8-V12 VanDerWaalsContact O-CG2 3.25Å; Y8-V12 WeakPolarHBondContact O-CG2 3.13Å; Y8-V12 PolarHBondContact O-N 2.98Å; K9-V12 PolarHBondContact O-N 2.97Å; V12-C14 VanDerWaalsContact C-N 3.25Å; V12-C14 PolarHBondContact O-N 3.02Å; V12-T15 WeakPolarHBondContact O-CA 3.22Å; V12-T15 WeakPolarHBondContact O-CB 3.5Å; V12-T15 PolarHBondContact O-N 2.94Å; V12-T15 PolarHBondContact O-OG1 3.14Å; V12-E16 PolarHBondContact O-N 3.11Å; V12-E16 VanDerWaalsContact O-N 3.12Å; V12-I43 HydrophobicContact CG2-CG2 4.5Å; V12-E47 HydrophobicContact CB-CG 4.32Å; V12-E47 HydrophobicContact CG1-CG 4.03Å; V12-E47 HydrophobicContact CG2-CG 3.78Å
13K94.1Very high88.5Confident140 Ų14073.3 Ų73.361%0.60934%0.343SS*.Hα-helixtrans-58.6-36.6177.5-173.7178.7-179.1-179.50112.4K9 E10 I11 H17K9-K13 WeakPolarHBondContact O-CB 3.42Å; K9-K13 PolarHBondContact O-N 2.89Å; E10-K13 PolarHBondContact O-N 2.9Å; I11-K13 VanDerWaalsContact C-N 3.35Å; I11-K13 PolarHBondContact O-N 3.23Å; K13-H17 PolarHBondContact O-ND1 3.09Å
14C91.9Very high87.8Confident6 Ų673.5 Ų73.54%0.04134%0.344CS..Hα-helixtrans-65.2-42.9172.4-170.60000111.4E10 I11 V12 E16 H17 L18 L28 R31 F32E10-C14 PolarHBondContact O-N 3.47Å; I11-C14 WeakPolarHBondContact O-CA 3.48Å; I11-C14 WeakPolarHBondContact O-CB 3.48Å; I11-C14 PolarHBondContact O-N 3.42Å; I11-C14 VanDerWaalsContact O-N 3.07Å; V12-C14 VanDerWaalsContact C-N 3.25Å; V12-C14 PolarHBondContact O-N 3.02Å; C14-E16 VanDerWaalsContact C-N 3.29Å; C14-E16 PolarHBondContact O-N 3.31Å; C14-H17 PolarHBondContact O-N 2.75Å; C14-L18 WeakPolarHBondContact O-CG 3.29Å; C14-L28 HydrophobicContact CB-CD2 4.42Å; C14-R31 WeakPolarHBondContact SG-CD 3.2Å; C14-R31 PolarHBondContact SG-NH1 3.34Å; C14-F32 HydrophobicContact CB-CE2 3.76Å; C14-F32 HydrophobicContact CB-CZ 4.05Å
15T89.9Confident87.3Confident0 Ų072.5 Ų72.50%034%0.335CS..Hα-helixtrans-65.2-28.6-177.172.60000113.5I11 V12 H17 L18 L28 F44 R51I11-T15 HydrophobicContact CG2-CG2 4.24Å; I11-T15 WeakPolarHBondContact O-CG2 3.33Å; I11-T15 PolarHBondContact O-N 2.84Å; V12-T15 WeakPolarHBondContact O-CA 3.22Å; V12-T15 WeakPolarHBondContact O-CB 3.5Å; V12-T15 PolarHBondContact O-N 2.94Å; V12-T15 PolarHBondContact O-OG1 3.14Å; T15-H17 PolarHBondContact O-N 2.89Å; T15-L18 PolarHBondContact O-N 2.88Å; T15-L18 VanDerWaalsContact O-N 3.08Å; T15-L28 HydrophobicContact CG2-CD2 4.21Å; T15-F44 HydrophobicContact CG2-CB 4.46Å; T15-F44 HydrophobicContact CG2-CD2 4.09Å; T15-R51 PolarHBondContact O-NH2 3.08Å
16E86.3Confident86.9Confident107 Ų10773 Ų7350%0.535%0.346SS..Hα-helixtrans-58.1-31.2177.2-71.1176.8160.800112.7V12 C14 R51V12-E16 PolarHBondContact O-N 3.11Å; V12-E16 VanDerWaalsContact O-N 3.12Å; C14-E16 VanDerWaalsContact C-N 3.29Å; C14-E16 PolarHBondContact O-N 3.31Å; E16-R51 PolarHBondContact O-NH1 2.68Å
17H82.2Confident86.5Confident148 Ų14873 Ų7369%0.68534%0.335SS*.THydrogen-bonded Turntrans-94.6-3.9-178.2-57.983.3000112.8K13 C14 T15K13-H17 PolarHBondContact O-ND1 3.09Å; C14-H17 PolarHBondContact O-N 2.75Å; T15-H17 PolarHBondContact O-N 2.89Å
18L83.4Confident86.3Confident16 Ų1669 Ų698%0.08432%0.317CS..  trans-95.1131.5-178.4-63.9178.5000110.6C14 T15 C24 I27 L28 F44C14-L18 WeakPolarHBondContact O-CG 3.29Å; T15-L18 PolarHBondContact O-N 2.88Å; T15-L18 VanDerWaalsContact O-N 3.08Å; L18-C24 HydrophobicContact CB-CB 4.34Å; L18-C24 HydrophobicContact CD1-CB 4.43Å; L18-I27 HydrophobicContact CD2-CB 4.15Å; L18-I27 HydrophobicContact CD2-CD1 3.8Å; L18-I27 HydrophobicContact CD2-CG2 3.85Å; L18-L28 HydrophobicContact CD1-CD1 3.97Å; L18-L28 HydrophobicContact CD1-CD2 3.58Å; L18-L28 HydrophobicContact CD1-CG 3.49Å; L18-L28 VanDerWaalsContact CD1-CG 3.49Å; L18-F44 HydrophobicContact CB-CE2 4.04Å
19R76.2Confident86.1Confident143 Ų14374.7 Ų74.754%0.5434%0.338SS..  trans-76.1149.1167.3-66.3-171.4-177.6-173.1-1110T21 C24R19-T21 HydrophobicContact CB-CG2 3.88Å; R19-T21 PolarHBondContact O-N 3.5Å; R19-C24 WeakPolarHBondContact O-CB 3.3Å
20P72.2Confident85.9Confident16 Ų1675.4 Ų75.410%0.10434%0.343CS..SBendtrans-73.565.5174.636.9-40.4000110.2F44 Y48 C194P20-F44 HydrophobicContact CB-CE1 4.46Å; P20-F44 HydrophobicContact CB-CZ 4.17Å; P20-Y48 HydrophobicContact CB-CD2 4.03Å; P20-Y48 HydrophobicContact CB-CE2 3.61Å; P20-Y48 HydrophobicContact CG-CD2 4.32Å; P20-Y48 HydrophobicContact CG-CE2 3.46Å; P20-Y48 VanDerWaalsContact CG-CE2 3.46Å; P20-C194 WeakPolarHBondContact CB-SG 3.34Å; P20-C194 PolarHBondContact O-SG 2.98Å
21T73.4Confident85.8Confident50 Ų5077.2 Ų77.231%0.30735%0.345SS..SBendtrans-115.1162.5175.969.70000109.7R19 Q23 C24R19-T21 HydrophobicContact CB-CG2 3.88Å; R19-T21 PolarHBondContact O-N 3.5Å; T21-Q23 PolarHBondContact O-N 2.67Å; T21-Q23 PolarHBondContact OG1-N 3.18Å; T21-C24 WeakPolarHBondContact O-CB 3.03Å; T21-C24 PolarHBondContact O-N 2.85Å; T21-C24 PolarHBondContact O-SG 2.64Å
22R68.6Low85.7Confident231 Ų23178 Ų7887%0.87235%0.349SS*.THydrogen-bonded Turntrans-57.1-20176.3-65.7-173.2177.3-152.5-0.2113.6
23Q76.9Confident85.7Confident139 Ų13981.6 Ų81.665%0.6537%0.373SS*.THydrogen-bonded Turntrans-80.8-18.3179.4-64.5177.9-12.800113.5T21 M25 T26 I27T21-Q23 PolarHBondContact O-N 2.67Å; T21-Q23 PolarHBondContact OG1-N 3.18Å; Q23-M25 PolarHBondContact O-N 2.8Å; Q23-T26 WeakPolarHBondContact O-CB 3.28Å; Q23-T26 PolarHBondContact O-N 2.69Å; Q23-T26 VanDerWaalsContact O-N 3.09Å; Q23-I27 PolarHBondContact O-N 2.91Å
24C82.9Confident85.6Confident7 Ų781.7 Ų81.75%0.04738%0.38CS..Hα-helixtrans-56.1-37.7-178.370.50000111.7L18 R19 T21 I27 L28 F44L18-C24 HydrophobicContact CB-CB 4.34Å; L18-C24 HydrophobicContact CD1-CB 4.43Å; R19-C24 WeakPolarHBondContact O-CB 3.3Å; T21-C24 WeakPolarHBondContact O-CB 3.03Å; T21-C24 PolarHBondContact O-N 2.85Å; T21-C24 PolarHBondContact O-SG 2.64Å; C24-I27 PolarHBondContact O-N 3.03Å; C24-L28 WeakPolarHBondContact O-CG 3.42Å; C24-L28 PolarHBondContact O-N 3.22Å; C24-F44 HydrophobicContact CB-CE2 4.28Å; C24-F44 HydrophobicContact CB-CZ 4.31Å
25M85.9Confident85.7Confident20 Ų2082.8 Ų82.810%0.09939%0.385CS..Hα-helixtrans-72.4-32.8-179.7-73.4-39.2-46.300114.4Q23 I27 L28 R29 L40 L41Q23-M25 PolarHBondContact O-N 2.8Å; M25-I27 VanDerWaalsContact C-N 3.3Å; M25-L28 HydrophobicContact CE-CB 3.83Å; M25-L28 HydrophobicContact CE-CD1 3.89Å; M25-L28 HydrophobicContact CE-CG 4.5Å; M25-L28 PolarHBondContact O-N 3.29Å; M25-L28 HydrophobicContact SD-CD1 3.79Å; M25-R29 WeakPolarHBondContact O-CB 3.4Å; M25-R29 VanDerWaalsContact O-CG 3.26Å; M25-R29 WeakPolarHBondContact O-CG 3.5Å; M25-R29 PolarHBondContact O-N 2.93Å; M25-L40 HydrophobicContact CE-CB 3.63Å; M25-L41 HydrophobicContact CE-CD2 4.41Å; M25-L41 HydrophobicContact CE-CG 4.01Å; M25-L41 HydrophobicContact CG-CD2 3.37Å; M25-L41 HydrophobicContact CG-CG 3.88Å; M25-L41 HydrophobicContact SD-CB 4.39Å; M25-L41 HydrophobicContact SD-CD2 3.34Å; M25-L41 WeakPolarHBondContact SD-CD2 3.5Å; M25-L41 HydrophobicContact SD-CG 3.58Å; M25-L41 VanDerWaalsContact SD-CG 3.58Å
26T87.6Confident85.9Confident79 Ų7984.9 Ų84.949%0.48540%0.399SS..Hα-helixtrans-62-44.4173.6-54.70000110.1Q23 R29 Q30Q23-T26 WeakPolarHBondContact O-CB 3.28Å; Q23-T26 PolarHBondContact O-N 2.69Å; Q23-T26 VanDerWaalsContact O-N 3.09Å; T26-R29 PolarHBondContact O-N 3.33Å; T26-Q30 WeakPolarHBondContact O-CG 3.31Å; T26-Q30 PolarHBondContact O-N 3.26Å
27I89.8Confident86.2Confident72 Ų7284.1 Ų84.137%0.36940%0.395SS..Hα-helixtrans-65.4-46.6179.1-60.7165.9000110.9L18 Q23 C24 M25 R29 Q30 R31L18-I27 HydrophobicContact CD2-CB 4.15Å; L18-I27 HydrophobicContact CD2-CD1 3.8Å; L18-I27 HydrophobicContact CD2-CG2 3.85Å; Q23-I27 PolarHBondContact O-N 2.91Å; C24-I27 PolarHBondContact O-N 3.03Å; M25-I27 VanDerWaalsContact C-N 3.3Å; I27-R29 VanDerWaalsContact C-N 3.34Å; I27-R29 PolarHBondContact O-N 2.86Å; I27-Q30 PolarHBondContact O-N 3.39Å; I27-R31 PolarHBondContact O-N 2.9Å
28L91.1Very high86.7Confident0 Ų079.4 Ų79.40%038%0.379CS..Hα-helixtrans-61.8-40.8178.4-73.7172000112.1C14 T15 L18 C24 M25 R31 F32 L40 F44C14-L28 HydrophobicContact CB-CD2 4.42Å; T15-L28 HydrophobicContact CG2-CD2 4.21Å; L18-L28 HydrophobicContact CD1-CD1 3.97Å; L18-L28 HydrophobicContact CD1-CD2 3.58Å; L18-L28 HydrophobicContact CD1-CG 3.49Å; L18-L28 VanDerWaalsContact CD1-CG 3.49Å; C24-L28 WeakPolarHBondContact O-CG 3.42Å; C24-L28 PolarHBondContact O-N 3.22Å; M25-L28 HydrophobicContact CE-CB 3.83Å; M25-L28 HydrophobicContact CE-CD1 3.89Å; M25-L28 HydrophobicContact CE-CG 4.5Å; M25-L28 PolarHBondContact O-N 3.29Å; M25-L28 HydrophobicContact SD-CD1 3.79Å; L28-R31 PolarHBondContact O-N 3.07Å; L28-F32 HydrophobicContact CD2-CD2 4.21Å; L28-F32 HydrophobicContact CD2-CE2 4.16Å; L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 3.34Å; L28-L40 HydrophobicContact CB-CD1 4.29Å; L28-F44 HydrophobicContact CD1-CB 3.97Å; L28-F44 HydrophobicContact CD1-CD2 4.11Å; L28-F44 HydrophobicContact CD1-CG 4.26Å
29R92.3Very high87.2Confident136 Ų13678.7 Ų78.751%0.51338%0.376SS..Hα-helixtrans-66.3-37.8177.3-76.1179.763.5168.3-6.2112.8M25 T26 I27 P33 L40M25-R29 WeakPolarHBondContact O-CB 3.4Å; M25-R29 VanDerWaalsContact O-CG 3.26Å; M25-R29 WeakPolarHBondContact O-CG 3.5Å; M25-R29 PolarHBondContact O-N 2.93Å; T26-R29 PolarHBondContact O-N 3.33Å; I27-R29 VanDerWaalsContact C-N 3.34Å; I27-R29 PolarHBondContact O-N 2.86Å; R29-P33 WeakPolarHBondContact O-CA 3.36Å; R29-L40 HydrophobicContact CG-CD1 4.36Å
30Q92.4Very high88.1Confident148 Ų14871.9 Ų71.969%0.69235%0.35SS*.Hα-helixtrans-67.3-38.5176.3-75.3174.7-8.400111.8T26 I27T26-Q30 WeakPolarHBondContact O-CG 3.31Å; T26-Q30 PolarHBondContact O-N 3.26Å; I27-Q30 PolarHBondContact O-N 3.39Å
31R93.9Very high89Confident143 Ų14374.6 Ų74.654%0.5436%0.363SS..Hα-helixtrans-79.9-32.3-178.6-166.4173.1-175.4156.53.4113.6C14 I27 L28 P33C14-R31 WeakPolarHBondContact SG-CD 3.2Å; C14-R31 PolarHBondContact SG-NH1 3.34Å; I27-R31 PolarHBondContact O-N 2.9Å; L28-R31 PolarHBondContact O-N 3.07Å; R31-P33 VanDerWaalsContact C-CD 3.43Å; R31-P33 WeakPolarHBondContact O-CD 3.14Å
32F94.7Very high89.9Confident17 Ų1773.1 Ų73.18%0.07536%0.355CS..  trans-12662.5-176.5-56.4-73.7000111.7E10 I11 C14 L28 N34 H35 L40E10-F32 HydrophobicContact CG-CE1 4.03Å; E10-F32 HydrophobicContact CG-CZ 4.16Å; I11-F32 HydrophobicContact CB-CE2 4.3Å; I11-F32 HydrophobicContact CB-CZ 4.26Å; I11-F32 HydrophobicContact CG1-CD1 3.83Å; I11-F32 HydrophobicContact CG1-CD2 4.06Å; I11-F32 HydrophobicContact CG1-CE1 3.71Å; I11-F32 HydrophobicContact CG1-CE2 3.95Å; I11-F32 HydrophobicContact CG1-CG 4Å; I11-F32 HydrophobicContact CG1-CZ 3.77Å; I11-F32 HydrophobicContact CG2-CE2 4.42Å; C14-F32 HydrophobicContact CB-CE2 3.76Å; C14-F32 HydrophobicContact CB-CZ 4.05Å; L28-F32 HydrophobicContact CD2-CD2 4.21Å; L28-F32 HydrophobicContact CD2-CE2 4.16Å; L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 3.34Å; F32-N34 PolarHBondContact O-N 2.9Å; F32-H35 HydrophobicContact CB-CB 4.45Å; F32-H35 PolarHBondContact O-N 2.83Å; F32-H35 VanDerWaalsContact O-N 3.13Å; F32-L40 HydrophobicContact CB-CD1 4.26Å; F32-L40 HydrophobicContact CB-CD2 3.9Å; F32-L40 HydrophobicContact CD2-CD2 4.26Å; F32-L40 HydrophobicContact CG-CD2 4.32Å
33P93.7Very high91.1Very high96 Ų9662.1 Ų62.162%0.62331%0.313SS*.THydrogen-bonded Turntrans-65.6-21.9-17327.4-36.2000113.9R29 R31 H35R29-P33 WeakPolarHBondContact O-CA 3.36Å; R31-P33 VanDerWaalsContact C-CD 3.43Å; R31-P33 WeakPolarHBondContact O-CD 3.14Å; P33-H35 PolarHBondContact O-N 3.09Å
34N93.2Very high91.8Very high142 Ų14255.9 Ų55.976%0.75928%0.284SS*.THydrogen-bonded Turntrans-79-4.8179.2-62.8-21.3000113.4F32F32-N34 PolarHBondContact O-N 2.9Å
35H93.6Very high92Very high29 Ų2956.6 Ų56.613%0.13429%0.289CS..SBendtrans-105.6143.5-178.5-63.880.4000111M1 F32 P33 L40M1-H35 HydrophobicContact SD-CB 4.11Å; M1-H35 VanDerWaalsContact SD-CD2 3.57Å; F32-H35 HydrophobicContact CB-CB 4.45Å; F32-H35 PolarHBondContact O-N 2.83Å; F32-H35 VanDerWaalsContact O-N 3.13Å; P33-H35 PolarHBondContact O-N 3.09Å; H35-L40 HydrophobicContact CB-CD1 4.15Å; H35-L40 HydrophobicContact CB-CD2 3.83Å; H35-L40 HydrophobicContact CB-CG 3.84Å
36S93.9Very high92.1Very high43 Ų4357 Ų5730%0.30129%0.292SS..  trans-66.4148.7176.777.30000110.9S38 T39 L40S36-S38 PolarHBondContact O-N 3.42Å; S36-S38 PolarHBondContact OG-OG 3.18Å; S36-T39 WeakPolarHBondContact O-CB 3.42Å; S36-T39 PolarHBondContact O-N 2.86Å; S36-T39 VanDerWaalsContact O-N 3.16Å; S36-T39 WeakPolarHBondContact OG-CB 3.43Å; S36-T39 PolarHBondContact OG-N 2.86Å; S36-T39 VanDerWaalsContact OG-N 3.11Å; S36-T39 PolarHBondContact OG-OG1 3.36Å; S36-L40 PolarHBondContact O-N 2.9Å; S36-L40 VanDerWaalsContact O-N 3.09Å
37Q92.4Very high92.2Very high91 Ų9154 Ų5443%0.42527%0.272SS..Hα-helixtrans-57.4-38175.9177.5172.5-16.400111.9L40 L41Q37-L40 PolarHBondContact O-N 2.97Å; Q37-L41 HydrophobicContact CG-CD1 3.84Å; Q37-L41 HydrophobicContact CG-CG 4.37Å; Q37-L41 VanDerWaalsContact O-CB 3.27Å; Q37-L41 WeakPolarHBondContact O-CB 3.42Å; Q37-L41 WeakPolarHBondContact O-CG 3.25Å; Q37-L41 PolarHBondContact O-N 2.78Å
38S92.2Very high92.1Very high49 Ų4950.6 Ų50.634%0.34325%0.254SS..Hα-helixtrans-65.5-39.917856.30000112.8S36 S42S36-S38 PolarHBondContact O-N 3.42Å; S36-S38 PolarHBondContact OG-OG 3.18Å; S38-S42 VanDerWaalsContact O-CB 3.3Å; S38-S42 WeakPolarHBondContact O-CB 3.47Å; S38-S42 PolarHBondContact O-N 2.98Å
39T95Very high91.7Very high2 Ų251.1 Ų51.11%0.01226%0.257CS..Hα-helixtrans-61.3-51.6174.4-58.40000110.4M1 L3 S36 L41 S42 I43 F265 H295M1-T39 HydrophobicContact SD-CG2 4.42Å; L3-T39 HydrophobicContact CD1-CG2 4.19Å; S36-T39 WeakPolarHBondContact O-CB 3.42Å; S36-T39 PolarHBondContact O-N 2.86Å; S36-T39 VanDerWaalsContact O-N 3.16Å; S36-T39 WeakPolarHBondContact OG-CB 3.43Å; S36-T39 PolarHBondContact OG-N 2.86Å; S36-T39 VanDerWaalsContact OG-N 3.11Å; S36-T39 PolarHBondContact OG-OG1 3.36Å; T39-L41 PolarHBondContact O-N 3.26Å; T39-S42 PolarHBondContact O-N 2.87Å; T39-I43 HydrophobicContact CG2-CD1 3.92Å; T39-I43 WeakPolarHBondContact O-CG1 3.47Å; T39-I43 PolarHBondContact O-N 3.01Å; T39-F265 HydrophobicContact CG2-CD2 3.96Å; T39-F265 HydrophobicContact CG2-CE2 3.98Å; T39-H295 WeakPolarHBondContact CA-O 3.23Å; T39-H295 WeakPolarHBondContact CB-O 3.4Å; T39-H295 WeakPolarHBondContact CG2-O 3.49Å; T39-H295 PolarHBondContact OG1-O 3Å; T39-H295 VanDerWaalsContact OG1-O 3.04Å
40L94.4Very high91.5Very high0 Ų045.7 Ų45.70%024%0.237CC..Hα-helixtrans-63.7-42.3-178.9-64.3172.7000112.3I11 M25 L28 R29 F32 H35 S36 Q37 S42 I43 F44I11-L40 HydrophobicContact CD1-CD2 4.06Å; I11-L40 HydrophobicContact CG1-CD2 4.46Å; I11-L40 HydrophobicContact CG2-CD2 4.18Å; M25-L40 HydrophobicContact CE-CB 3.63Å; L28-L40 HydrophobicContact CB-CD1 4.29Å; R29-L40 HydrophobicContact CG-CD1 4.36Å; F32-L40 HydrophobicContact CB-CD1 4.26Å; F32-L40 HydrophobicContact CB-CD2 3.9Å; F32-L40 HydrophobicContact CD2-CD2 4.26Å; F32-L40 HydrophobicContact CG-CD2 4.32Å; H35-L40 HydrophobicContact CB-CD1 4.15Å; H35-L40 HydrophobicContact CB-CD2 3.83Å; H35-L40 HydrophobicContact CB-CG 3.84Å; S36-L40 PolarHBondContact O-N 2.9Å; S36-L40 VanDerWaalsContact O-N 3.09Å; Q37-L40 PolarHBondContact O-N 2.97Å; L40-S42 VanDerWaalsContact C-N 3.34Å; L40-I43 PolarHBondContact O-N 3.11Å; L40-F44 VanDerWaalsContact O-CB 3.32Å; L40-F44 WeakPolarHBondContact O-CB 3.49Å; L40-F44 PolarHBondContact O-N 2.79Å
41L90.9Very high91.2Very high73 Ų7340.2 Ų40.238%0.38221%0.21SC..Hα-helixtrans-59.9-44.3174-87.4168.7000111.7M25 Q37 T39 F44 S45M25-L41 HydrophobicContact CE-CD2 4.41Å; M25-L41 HydrophobicContact CE-CG 4.01Å; M25-L41 HydrophobicContact CG-CD2 3.37Å; M25-L41 HydrophobicContact CG-CG 3.88Å; M25-L41 HydrophobicContact SD-CB 4.39Å; M25-L41 HydrophobicContact SD-CD2 3.34Å; M25-L41 WeakPolarHBondContact SD-CD2 3.5Å; M25-L41 HydrophobicContact SD-CG 3.58Å; M25-L41 VanDerWaalsContact SD-CG 3.58Å; Q37-L41 HydrophobicContact CG-CD1 3.84Å; Q37-L41 HydrophobicContact CG-CG 4.37Å; Q37-L41 VanDerWaalsContact O-CB 3.27Å; Q37-L41 WeakPolarHBondContact O-CB 3.42Å; Q37-L41 WeakPolarHBondContact O-CG 3.25Å; Q37-L41 PolarHBondContact O-N 2.78Å; T39-L41 PolarHBondContact O-N 3.26Å; L41-F44 PolarHBondContact O-N 2.98Å; L41-S45 WeakPolarHBondContact O-CB 3.5Å; L41-S45 PolarHBondContact O-N 3.11Å
42S91.9Very high90.8Very high19 Ų1933.5 Ų33.513%0.13319%0.185CC..Hα-helixtrans-68.3-40.4-178.6-168.60000112S38 T39 L40 L46 S264 F265S38-S42 VanDerWaalsContact O-CB 3.3Å; S38-S42 WeakPolarHBondContact O-CB 3.47Å; S38-S42 PolarHBondContact O-N 2.98Å; T39-S42 PolarHBondContact O-N 2.87Å; L40-S42 VanDerWaalsContact C-N 3.34Å; S42-L46 VanDerWaalsContact O-CB 3.32Å; S42-L46 WeakPolarHBondContact O-CB 3.22Å; S42-L46 PolarHBondContact O-N 2.63Å; S42-S264 WeakPolarHBondContact OG-CA 3.36Å; S42-F265 PolarHBondContact OG-N 3.12Å
43I93.9Very high90.3Very high0 Ų036.1 Ų36.10%020%0.196CC..Hα-helixtrans-62.2-48.7172.4-66.1166.8000110.5L3 Y8 I11 V12 T39 L40 S45 L46 E47 F265L3-I43 HydrophobicContact CD2-CD1 3.9Å; Y8-I43 HydrophobicContact CD2-CD1 4.38Å; Y8-I43 HydrophobicContact CD2-CG1 4.46Å; Y8-I43 HydrophobicContact CD2-CG2 4.34Å; Y8-I43 HydrophobicContact CE2-CG2 4.05Å; I11-I43 HydrophobicContact CD1-CD1 3.94Å; I11-I43 HydrophobicContact CG2-CB 4.37Å; I11-I43 HydrophobicContact CG2-CD1 4.21Å; I11-I43 HydrophobicContact CG2-CG2 3.72Å; V12-I43 HydrophobicContact CG2-CG2 4.5Å; T39-I43 HydrophobicContact CG2-CD1 3.92Å; T39-I43 WeakPolarHBondContact O-CG1 3.47Å; T39-I43 PolarHBondContact O-N 3.01Å; L40-I43 PolarHBondContact O-N 3.11Å; I43-S45 PolarHBondContact O-N 2.91Å; I43-L46 PolarHBondContact O-N 2.77Å; I43-E47 HydrophobicContact CG2-CG 4.37Å; I43-E47 PolarHBondContact O-N 2.91Å; I43-F265 HydrophobicContact CD1-CD1 4.42Å; I43-F265 HydrophobicContact CD1-CD2 3.92Å; I43-F265 HydrophobicContact CD1-CE1 4.29Å; I43-F265 HydrophobicContact CD1-CE2 3.79Å; I43-F265 HydrophobicContact CD1-CG 4.24Å; I43-F265 HydrophobicContact CD1-CZ 3.99Å; I43-F265 HydrophobicContact CG1-CB 4.05Å; I43-F265 HydrophobicContact CG1-CD1 3.7Å; I43-F265 HydrophobicContact CG1-CD2 3.66Å; I43-F265 HydrophobicContact CG1-CE1 4.03Å; I43-F265 HydrophobicContact CG1-CE2 4Å; I43-F265 HydrophobicContact CG1-CG 3.51Å; I43-F265 HydrophobicContact CG1-CZ 4.18Å
44F91.5Very high90Very high7 Ų739.5 Ų39.53%0.03120%0.197CC..Hα-helixtrans-58.4-48179.5176.6-95.4000111.7T15 L18 P20 C24 L28 L40 L41 L46 E47 Y48T15-F44 HydrophobicContact CG2-CB 4.46Å; T15-F44 HydrophobicContact CG2-CD2 4.09Å; L18-F44 HydrophobicContact CB-CE2 4.04Å; P20-F44 HydrophobicContact CB-CE1 4.46Å; P20-F44 HydrophobicContact CB-CZ 4.17Å; C24-F44 HydrophobicContact CB-CE2 4.28Å; C24-F44 HydrophobicContact CB-CZ 4.31Å; L28-F44 HydrophobicContact CD1-CB 3.97Å; L28-F44 HydrophobicContact CD1-CD2 4.11Å; L28-F44 HydrophobicContact CD1-CG 4.26Å; L40-F44 VanDerWaalsContact O-CB 3.32Å; L40-F44 WeakPolarHBondContact O-CB 3.49Å; L40-F44 PolarHBondContact O-N 2.79Å; L41-F44 PolarHBondContact O-N 2.98Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L46 PolarHBondContact O-N 2.66Å; F44-E47 PolarHBondContact O-N 3.13Å; F44-Y48 HydrophobicContact CZ-CD2 4.49Å; F44-Y48 VanDerWaalsContact O-CB 3.25Å; F44-Y48 WeakPolarHBondContact O-CB 3.47Å; F44-Y48 PolarHBondContact O-N 3.17Å
45S87.5Confident89.7Confident22 Ų2234.4 Ų34.415%0.15417%0.17CC..Hα-helixtrans-59.5-44.9178.9-165.90000111.4L41 I43 Q49 K204L41-S45 WeakPolarHBondContact O-CB 3.5Å; L41-S45 PolarHBondContact O-N 3.11Å; I43-S45 PolarHBondContact O-N 2.91Å; S45-Q49 VanDerWaalsContact O-CG 3.25Å; S45-Q49 WeakPolarHBondContact O-CG 3.36Å; S45-Q49 PolarHBondContact O-N 2.63Å; S45-Q49 VanDerWaalsContact O-N 3.08Å; S45-K204 VanDerWaalsContact OG-CE 3.3Å; S45-K204 WeakPolarHBondContact OG-CE 3.2Å; S45-K204 PolarHBondContact OG-NZ 2.91Å; S45-K204 VanDerWaalsContact OG-NZ 3.17Å
46L88.7Confident89.4Confident30 Ų3033.5 Ų33.516%0.15717%0.166CC..Hα-helixtrans-62.4-46.6178.2-179.667.4000112.5S42 I43 F44 Q49 K50 D267S42-L46 VanDerWaalsContact O-CB 3.32Å; S42-L46 WeakPolarHBondContact O-CB 3.22Å; S42-L46 PolarHBondContact O-N 2.63Å; I43-L46 PolarHBondContact O-N 2.77Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L46 PolarHBondContact O-N 2.66Å; L46-Q49 PolarHBondContact O-N 3.25Å; L46-K50 WeakPolarHBondContact O-CG 3.25Å; L46-K50 PolarHBondContact O-N 2.88Å; L46-D267 HydrophobicContact CD2-CB 3.82Å
47E90.3Very high89Confident14 Ų1435.6 Ų35.67%0.06518%0.181CC..Hα-helixtrans-69.8-39.5179.9-69.4-45.4124.700112.8Y8 V12 I43 F44 Q49 K50 R51Y8-E47 PolarHBondContact OH-OE1 3.11Å; V12-E47 HydrophobicContact CB-CG 4.32Å; V12-E47 HydrophobicContact CG1-CG 4.03Å; V12-E47 HydrophobicContact CG2-CG 3.78Å; I43-E47 HydrophobicContact CG2-CG 4.37Å; I43-E47 PolarHBondContact O-N 2.91Å; F44-E47 PolarHBondContact O-N 3.13Å; E47-Q49 PolarHBondContact O-N 3.05Å; E47-K50 PolarHBondContact O-N 3.11Å; E47-K50 IonicContact OE1-NZ 3.87Å; E47-K50 PolarHBondContact OE1-NZ 2.57Å; E47-K50 IonicContact OE2-NZ 2.87Å; E47-R51 WeakPolarHBondContact O-CB 3.23Å; E47-R51 PolarHBondContact O-N 3.24Å
48Y86.7Confident89Confident1 Ų137.6 Ų37.60%0.00419%0.185CC..Hα-helixtrans-57.8-40.4174.2-176.7-96.9000111.1P20 F44 R51 T52 S95 C195 Y196P20-Y48 HydrophobicContact CB-CD2 4.03Å; P20-Y48 HydrophobicContact CB-CE2 3.61Å; P20-Y48 HydrophobicContact CG-CD2 4.32Å; P20-Y48 HydrophobicContact CG-CE2 3.46Å; P20-Y48 VanDerWaalsContact CG-CE2 3.46Å; F44-Y48 HydrophobicContact CZ-CD2 4.49Å; F44-Y48 VanDerWaalsContact O-CB 3.25Å; F44-Y48 WeakPolarHBondContact O-CB 3.47Å; F44-Y48 PolarHBondContact O-N 3.17Å; Y48-R51 PolarHBondContact O-N 2.87Å; Y48-T52 WeakPolarHBondContact O-CB 3.31Å; Y48-T52 PolarHBondContact O-N 2.91Å; Y48-T52 PolarHBondContact O-OG1 2.67Å; Y48-S95 VanDerWaalsContact OH-CA 3.26Å; Y48-S95 WeakPolarHBondContact OH-CA 3.4Å; Y48-S95 PolarHBondContact OH-N 3.07Å; Y48-C195 HydrophobicContact CD1-CB 3.31Å; Y48-C195 WeakPolarHBondContact CD1-SG 3.22Å; Y48-C195 HydrophobicContact CE1-CB 3.23Å; Y48-C195 VanDerWaalsContact CE1-SG 3.52Å; Y48-C195 HydrophobicContact CG-CB 4.3Å; Y48-Y196 HydrophobicContact CD1-CD2 4.28Å; Y48-Y196 AromaticContact CD1-CE2 3.79Å; Y48-Y196 HydrophobicContact CD1-CE2 3.79Å; Y48-Y196 AromaticContact CE1-CD2 3.72Å; Y48-Y196 HydrophobicContact CE1-CD2 3.72Å; Y48-Y196 AromaticContact CE1-CE2 3.51Å; Y48-Y196 HydrophobicContact CE1-CE2 3.51Å
49Q83.4Confident88.8Confident11 Ų1135.3 Ų35.35%0.05117%0.169CC..Hα-helixtrans-68.2-44.3177-71.5170.87.900113.6S45 L46 E47 R51 T52 K53 E138 Y196S45-Q49 VanDerWaalsContact O-CG 3.25Å; S45-Q49 WeakPolarHBondContact O-CG 3.36Å; S45-Q49 PolarHBondContact O-N 2.63Å; S45-Q49 VanDerWaalsContact O-N 3.08Å; L46-Q49 PolarHBondContact O-N 3.25Å; E47-Q49 PolarHBondContact O-N 3.05Å; Q49-R51 VanDerWaalsContact C-N 3.26Å; Q49-R51 PolarHBondContact O-N 3.42Å; Q49-T52 PolarHBondContact O-N 2.77Å; Q49-K53 WeakPolarHBondContact O-CG 3.38Å; Q49-K53 PolarHBondContact O-N 3.1Å; Q49-E138 VanDerWaalsContact CD-OE2 3.26Å; Q49-E138 PolarHBondContact NE2-OE1 3.47Å; Q49-E138 PolarHBondContact NE2-OE2 2.93Å; Q49-E138 PolarHBondContact OE1-OE2 3.46Å; Q49-E138 VanDerWaalsContact OE1-OE2 3.06Å; Q49-Y196 WeakPolarHBondContact CA-OH 3.35Å; Q49-Y196 WeakPolarHBondContact CB-OH 3.41Å; Q49-Y196 HydrophobicContact CG-CE1 4.12Å; Q49-Y196 HydrophobicContact CG-CE2 4.37Å; Q49-Y196 WeakPolarHBondContact CG-OH 3.49Å; Q49-Y196 PolarHBondContact O-OH 2.83Å
50K87.6Confident88.3Confident23 Ų2337.3 Ų37.310%0.118%0.178CC..Hα-helixtrans-58.4-43.2175.8-72.3169-177.11700110.8Y8 L46 E47 K53 R54 D267Y8-K50 PolarHBondContact OH-NZ 2.79Å; Y8-K50 VanDerWaalsContact OH-NZ 3.17Å; L46-K50 WeakPolarHBondContact O-CG 3.25Å; L46-K50 PolarHBondContact O-N 2.88Å; E47-K50 PolarHBondContact O-N 3.11Å; E47-K50 IonicContact OE1-NZ 3.87Å; E47-K50 PolarHBondContact OE1-NZ 2.57Å; E47-K50 IonicContact OE2-NZ 2.87Å; K50-K53 PolarHBondContact O-N 2.94Å; K50-R54 VanDerWaalsContact O-CG 3.29Å; K50-R54 WeakPolarHBondContact O-CG 3.22Å; K50-R54 PolarHBondContact O-N 3.43Å; K50-D267 WeakPolarHBondContact CE-OD2 3.13Å; K50-D267 IonicContact NZ-OD2 3.34Å; K50-D267 PolarHBondContact NZ-OD2 3.31Å
51R86.1Confident88.1Confident33 Ų3338.9 Ų38.913%0.12519%0.191CC..Hα-helixtrans-60.1-51.6176.5-168.9-165.3-38.3-1702.4111.2T15 E16 E47 Y48 Q49 K53 R54 T55 D93T15-R51 PolarHBondContact O-NH2 3.08Å; E16-R51 PolarHBondContact O-NH1 2.68Å; E47-R51 WeakPolarHBondContact O-CB 3.23Å; E47-R51 PolarHBondContact O-N 3.24Å; Y48-R51 PolarHBondContact O-N 2.87Å; Q49-R51 VanDerWaalsContact C-N 3.26Å; Q49-R51 PolarHBondContact O-N 3.42Å; R51-K53 VanDerWaalsContact C-N 3.29Å; R51-K53 PolarHBondContact O-N 3.08Å; R51-R54 PolarHBondContact O-N 2.86Å; R51-T55 PolarHBondContact O-N 2.85Å; R51-T55 PolarHBondContact O-OG1 2.61Å; R51-T55 VanDerWaalsContact O-OG1 3.11Å; R51-D93 WeakPolarHBondContact CD-OD2 3.04Å; R51-D93 IonicContact CZ-OD2 3.41Å; R51-D93 IonicContact NE-OD2 3.72Å; R51-D93 IonicContact NH1-OD1 3.64Å; R51-D93 IonicContact NH1-OD2 3.71Å; R51-D93 PolarHBondContact NH1-OD2 3.21Å
52T84.8Confident88Confident1 Ų140.3 Ų40.31%0.00621%0.205CC..Hα-helixtrans-55.1-45177-58.80000111.2Y48 Q49 R54 T55 M56 L94 L98 L135 Y196Y48-T52 WeakPolarHBondContact O-CB 3.31Å; Y48-T52 PolarHBondContact O-N 2.91Å; Y48-T52 PolarHBondContact O-OG1 2.67Å; Q49-T52 PolarHBondContact O-N 2.77Å; T52-R54 PolarHBondContact O-N 2.87Å; T52-T55 PolarHBondContact O-N 3.07Å; T52-T55 PolarHBondContact O-OG1 2.53Å; T52-M56 HydrophobicContact CG2-CE 3.91Å; T52-M56 VanDerWaalsContact O-CB 3.27Å; T52-M56 WeakPolarHBondContact O-CB 3.39Å; T52-M56 PolarHBondContact O-N 2.93Å; T52-L94 HydrophobicContact CG2-CD1 4.49Å; T52-L98 HydrophobicContact CG2-CD1 3.41Å; T52-L98 VanDerWaalsContact CG2-CD1 3.41Å; T52-L135 HydrophobicContact CG2-CD2 4.38Å; T52-Y196 WeakPolarHBondContact CB-OH 3.37Å; T52-Y196 HydrophobicContact CG2-CE2 3.8Å
53K84.7Confident88Confident73 Ų7346.1 Ų46.132%0.31723%0.234SC..Hα-helixtrans-59.8-42175.6-71.4177.7-169.1-165.80112.6Q49 K50 R51 L135Q49-K53 WeakPolarHBondContact O-CG 3.38Å; Q49-K53 PolarHBondContact O-N 3.1Å; K50-K53 PolarHBondContact O-N 2.94Å; R51-K53 VanDerWaalsContact C-N 3.29Å; R51-K53 PolarHBondContact O-N 3.08Å; K53-L135 HydrophobicContact CD-CB 4.37Å; K53-L135 WeakPolarHBondContact CE-O 3.11Å; K53-L135 HydrophobicContact CG-CB 4.02Å; K53-L135 HydrophobicContact CG-CD1 3.91Å; K53-L135 HydrophobicContact CG-CD2 3.86Å; K53-L135 HydrophobicContact CG-CG 4.13Å; K53-L135 PolarHBondContact NZ-O 2.88Å
54R87.8Confident87.9Confident167 Ų16747.4 Ų47.463%0.6324%0.243SC*.Hα-helixtrans-70.2-37.6-179-69.5174.3-153.7162.47.7112.4K50 R51 T52K50-R54 VanDerWaalsContact O-CG 3.29Å; K50-R54 WeakPolarHBondContact O-CG 3.22Å; K50-R54 PolarHBondContact O-N 3.43Å; R51-R54 PolarHBondContact O-N 2.86Å; T52-R54 PolarHBondContact O-N 2.87Å
55T87.3Confident87.9Confident34 Ų3448.8 Ų48.821%0.20925%0.251CS..Hα-helixtrans-90.5-16.7-17657.80000113.5R51 T52 S57 R58 H59R51-T55 PolarHBondContact O-N 2.85Å; R51-T55 PolarHBondContact O-OG1 2.61Å; R51-T55 VanDerWaalsContact O-OG1 3.11Å; T52-T55 PolarHBondContact O-N 3.07Å; T52-T55 PolarHBondContact O-OG1 2.53Å; T55-S57 VanDerWaalsContact C-N 3.29Å; T55-S57 PolarHBondContact O-N 3.28Å; T55-S57 VanDerWaalsContact O-N 3.14Å; T55-R58 WeakPolarHBondContact O-CB 3.48Å; T55-R58 PolarHBondContact O-N 2.98Å; T55-H59 PolarHBondContact O-CD2 3.29Å
56M85.5Confident88.2Confident10 Ų1050.7 Ų50.75%0.04926%0.257CS..Hα-helixtrans-51.1-41.8-174.1-177.655.460.800114.2T52 R58 H59 Q60 L94 L98 I131T52-M56 HydrophobicContact CG2-CE 3.91Å; T52-M56 VanDerWaalsContact O-CB 3.27Å; T52-M56 WeakPolarHBondContact O-CB 3.39Å; T52-M56 PolarHBondContact O-N 2.93Å; M56-R58 PolarHBondContact O-N 3.49Å; M56-H59 PolarHBondContact O-N 2.93Å; M56-H59 VanDerWaalsContact O-N 3.1Å; M56-Q60 HydrophobicContact CG-CG 4.3Å; M56-Q60 WeakPolarHBondContact O-CG 3.44Å; M56-Q60 PolarHBondContact O-N 3.36Å; M56-Q60 VanDerWaalsContact O-N 3.15Å; M56-Q60 HydrophobicContact SD-CG 4.04Å; M56-Q60 PolarHBondContact SD-NE2 3.22Å; M56-Q60 VanDerWaalsContact SD-NE2 3.44Å; M56-L94 HydrophobicContact CE-CD1 3.85Å; M56-L98 HydrophobicContact CE-CB 4.38Å; M56-L98 HydrophobicContact CE-CD1 3.57Å; M56-L98 HydrophobicContact CE-CD2 4.21Å; M56-L98 HydrophobicContact CE-CG 4.26Å; M56-I131 HydrophobicContact CE-CG2 4.25Å; M56-I131 HydrophobicContact CG-CG2 4.15Å; M56-I131 HydrophobicContact SD-CD1 4.36Å; M56-I131 HydrophobicContact SD-CG2 4.32Å
57S87.4Confident88.6Confident87 Ų8752.7 Ų52.761%0.60827%0.274SS*.Hα-helixtrans-59.2-35.1-178.455.20000112.8T55 Q60 A61T55-S57 VanDerWaalsContact C-N 3.29Å; T55-S57 PolarHBondContact O-N 3.28Å; T55-S57 VanDerWaalsContact O-N 3.14Å; S57-Q60 PolarHBondContact O-N 2.94Å; S57-A61 PolarHBondContact O-N 3.21Å
58R90.4Very high88.8Confident134 Ų13453.2 Ų53.251%0.50628%0.275SS..Hα-helixtrans-62.9-45.9175.2179.7-176.965173.11.1111.1T55 M56 Q60 A61 S64 V92T55-R58 WeakPolarHBondContact O-CB 3.48Å; T55-R58 PolarHBondContact O-N 2.98Å; M56-R58 PolarHBondContact O-N 3.49Å; R58-Q60 PolarHBondContact O-N 2.98Å; R58-A61 WeakPolarHBondContact O-CB 3.38Å; R58-A61 PolarHBondContact O-N 3.24Å; R58-S64 WeakPolarHBondContact O-CB 3.41Å; R58-S64 PolarHBondContact O-OG 3.05Å; R58-V92 PolarHBondContact NH2-O 3.38Å
59H89.6Confident89.3Confident0 Ų053.4 Ų53.40%028%0.276CS..Hα-helixtrans-70-18.4-179-58.6-71000113T55 M56 I65 Y68 V92 L94 I102T55-H59 PolarHBondContact O-CD2 3.29Å; M56-H59 PolarHBondContact O-N 2.93Å; M56-H59 VanDerWaalsContact O-N 3.1Å; H59-I65 WeakPolarHBondContact O-CG1 3.08Å; H59-Y68 HydrophobicContact CB-CE2 4.29Å; H59-Y68 AromaticContact ND1-CE2 3.91Å; H59-Y68 AromaticContact ND1-CZ 3.78Å; H59-Y68 PolarHBondContact ND1-OH 2.91Å; H59-V92 PolarHBondContact CE1-O 3.23Å; H59-V92 VanDerWaalsContact CE1-O 3.26Å; H59-L94 HydrophobicContact CB-CD2 4.16Å; H59-I102 HydrophobicContact CB-CD1 3.99Å
60Q84.8Confident89.8Confident44 Ų4457.5 Ų57.521%0.20630%0.295CS..THydrogen-bonded Turntrans-92.6-2.7176.8-68178.8-9.500113.5M56 S57 R58 I65M56-Q60 HydrophobicContact CG-CG 4.3Å; M56-Q60 WeakPolarHBondContact O-CG 3.44Å; M56-Q60 PolarHBondContact O-N 3.36Å; M56-Q60 VanDerWaalsContact O-N 3.15Å; M56-Q60 HydrophobicContact SD-CG 4.04Å; M56-Q60 PolarHBondContact SD-NE2 3.22Å; M56-Q60 VanDerWaalsContact SD-NE2 3.44Å; S57-Q60 PolarHBondContact O-N 2.94Å; R58-Q60 PolarHBondContact O-N 2.98Å; Q60-I65 WeakPolarHBondContact O-CD1 3.4Å
61A88.9Confident90.2Very high33 Ų3360.4 Ų60.427%0.27331%0.306SS..SBendtrans-64.4135.817500000109.7S57 R58 D63 S64 I65S57-A61 PolarHBondContact O-N 3.21Å; R58-A61 WeakPolarHBondContact O-CB 3.38Å; R58-A61 PolarHBondContact O-N 3.24Å; A61-D63 VanDerWaalsContact C-N 3.25Å; A61-D63 PolarHBondContact O-N 3.33Å; A61-S64 WeakPolarHBondContact O-CA 3.15Å; A61-S64 WeakPolarHBondContact O-CB 3.27Å; A61-S64 PolarHBondContact O-N 3.34Å; A61-I65 PolarHBondContact O-N 2.69Å
62P88.7Confident90.7Very high104 Ų10459 Ų5968%0.67530%0.3SS*.Hα-helixtrans-50.6-43.8-177.9-29.235.5000113.5S64 I65 E66P62-S64 VanDerWaalsContact C-N 3.31Å; P62-S64 PolarHBondContact O-N 3.17Å; P62-I65 PolarHBondContact O-N 2.82Å; P62-E66 WeakPolarHBondContact O-CB 3.43Å; P62-E66 PolarHBondContact O-N 2.77Å
63D91.5Very high91.1Very high140 Ų14062.2 Ų62.275%0.74932%0.317SS*.Hα-helixtrans-64.1-36.2178.8-57.4-19000112.5A61 S67A61-D63 VanDerWaalsContact C-N 3.25Å; A61-D63 PolarHBondContact O-N 3.33Å; D63-S67 WeakPolarHBondContact O-CB 3.38Å; D63-S67 PolarHBondContact O-N 2.94Å
64S92.7Very high91.5Very high28 Ų2862.1 Ų62.120%0.19633%0.326CS..Hα-helixtrans-70.4-44.8176.9-64.20000111.2R58 A61 P62 E66 S67 Y68R58-S64 WeakPolarHBondContact O-CB 3.41Å; R58-S64 PolarHBondContact O-OG 3.05Å; A61-S64 WeakPolarHBondContact O-CA 3.15Å; A61-S64 WeakPolarHBondContact O-CB 3.27Å; A61-S64 PolarHBondContact O-N 3.34Å; P62-S64 VanDerWaalsContact C-N 3.31Å; P62-S64 PolarHBondContact O-N 3.17Å; S64-E66 VanDerWaalsContact C-N 3.34Å; S64-E66 PolarHBondContact O-N 3.24Å; S64-S67 PolarHBondContact O-N 3.27Å; S64-Y68 WeakPolarHBondContact O-CD2 3.49Å; S64-Y68 PolarHBondContact O-N 3.03Å
65I92.6Very high91.9Very high36 Ų3656.1 Ų56.119%0.18531%0.305CS..Hα-helixtrans-58.5-48.3176.5-64.5174.9000110.1H59 Q60 A61 P62 Y68 Y69 I102 R106H59-I65 WeakPolarHBondContact O-CG1 3.08Å; Q60-I65 WeakPolarHBondContact O-CD1 3.4Å; A61-I65 PolarHBondContact O-N 2.69Å; P62-I65 PolarHBondContact O-N 2.82Å; I65-Y68 PolarHBondContact O-N 3.34Å; I65-Y69 WeakPolarHBondContact O-CB 3.39Å; I65-Y69 PolarHBondContact O-N 3Å; I65-I102 HydrophobicContact CB-CG2 4.34Å; I65-I102 HydrophobicContact CG1-CG2 3.95Å; I65-I102 HydrophobicContact CG2-CG2 4.04Å; I65-R106 HydrophobicContact CG2-CB 3.86Å; I65-R106 HydrophobicContact CG2-CG 4Å
66E93.4Very high92.1Very high61 Ų6155.1 Ų55.129%0.28530%0.3SS..Hα-helixtrans-65.7-41.6-179.6-167.858.7-146.300111.3P62 S64 Y68 Y69 Q70 R106P62-E66 WeakPolarHBondContact O-CB 3.43Å; P62-E66 PolarHBondContact O-N 2.77Å; S64-E66 VanDerWaalsContact C-N 3.34Å; S64-E66 PolarHBondContact O-N 3.24Å; E66-Y68 PolarHBondContact O-N 3.36Å; E66-Y69 PolarHBondContact O-N 3.37Å; E66-Q70 HydrophobicContact CG-CG 4.36Å; E66-Q70 WeakPolarHBondContact O-CB 3.27Å; E66-Q70 WeakPolarHBondContact O-CG 3.39Å; E66-Q70 PolarHBondContact O-N 3.25Å; E66-Q70 WeakPolarHBondContact OE1-CG 3.37Å; E66-Q70 PolarHBondContact OE1-NE2 2.95Å; E66-R106 IonicContact OE1-NH2 2.6Å; E66-R106 IonicContact OE2-CZ 3.94Å; E66-R106 IonicContact OE2-NE 3.13Å; E66-R106 PolarHBondContact OE2-NE 2.99Å; E66-R106 IonicContact OE2-NH2 3.48Å; E66-R106 PolarHBondContact OE2-NH2 3.49Å
67S95.8Very high92.3Very high73 Ų7363.4 Ų63.451%0.5134%0.336SS..Hα-helixtrans-58.4-46174.4179.10000112.3D63 S64 R71D63-S67 WeakPolarHBondContact O-CB 3.38Å; D63-S67 PolarHBondContact O-N 2.94Å; S64-S67 PolarHBondContact O-N 3.27Å; S67-R71 VanDerWaalsContact O-CB 3.31Å; S67-R71 WeakPolarHBondContact O-CB 3.19Å; S67-R71 PolarHBondContact O-N 2.97Å; S67-R71 VanDerWaalsContact O-N 3.09Å
68Y96.1Very high92.5Very high24 Ų2462.9 Ų62.99%0.09434%0.337CS..Hα-helixtrans-64.1-41.7177-58.2-28.9000111.8H59 S64 I65 E66 Y72 V92 M99 I102H59-Y68 HydrophobicContact CB-CE2 4.29Å; H59-Y68 AromaticContact ND1-CE2 3.91Å; H59-Y68 AromaticContact ND1-CZ 3.78Å; H59-Y68 PolarHBondContact ND1-OH 2.91Å; S64-Y68 WeakPolarHBondContact O-CD2 3.49Å; S64-Y68 PolarHBondContact O-N 3.03Å; I65-Y68 PolarHBondContact O-N 3.34Å; E66-Y68 PolarHBondContact O-N 3.36Å; Y68-Y72 WeakPolarHBondContact O-CB 3.35Å; Y68-Y72 PolarHBondContact O-N 3.38Å; Y68-V92 HydrophobicContact CE1-CG1 3.84Å; Y68-M99 HydrophobicContact CD1-CE 4.47Å; Y68-M99 HydrophobicContact CD2-CE 4.09Å; Y68-M99 HydrophobicContact CD2-SD 4.21Å; Y68-M99 HydrophobicContact CE2-CE 4.26Å; Y68-M99 HydrophobicContact CG-CE 4.21Å; Y68-M99 HydrophobicContact CG-SD 4.33Å; Y68-I102 HydrophobicContact CD2-CG2 4.47Å
69Y95.7Very high92.5Very high6 Ų663.2 Ų63.22%0.02434%0.338CS..Hα-helixtrans-67.1-46.1-178.9-170.1-118.7000112.5I65 E66 R71 Y72 L73 I103 R106 F107 D110I65-Y69 WeakPolarHBondContact O-CB 3.39Å; I65-Y69 PolarHBondContact O-N 3Å; E66-Y69 PolarHBondContact O-N 3.37Å; Y69-R71 VanDerWaalsContact C-N 3.33Å; Y69-R71 PolarHBondContact O-N 3.43Å; Y69-Y72 WeakPolarHBondContact O-CB 3.11Å; Y69-Y72 PolarHBondContact O-N 3.49Å; Y69-L73 HydrophobicContact CD1-CD1 4.05Å; Y69-L73 HydrophobicContact CE1-CD1 3.69Å; Y69-L73 HydrophobicContact CE1-CG 4.34Å; Y69-L73 HydrophobicContact CE2-CD2 4.48Å; Y69-L73 HydrophobicContact CE2-CG 4.5Å; Y69-L73 WeakPolarHBondContact O-CG 3.09Å; Y69-L73 PolarHBondContact O-N 3.29Å; Y69-I103 HydrophobicContact CD2-CD1 4.28Å; Y69-I103 HydrophobicContact CD2-CG2 4.2Å; Y69-I103 HydrophobicContact CE2-CG2 4.46Å; Y69-R106 HydrophobicContact CD1-CG 3.71Å; Y69-R106 HydrophobicContact CD2-CB 4.25Å; Y69-R106 HydrophobicContact CD2-CG 3.95Å; Y69-R106 HydrophobicContact CE1-CG 4.21Å; Y69-R106 HydrophobicContact CE2-CG 4.45Å; Y69-R106 HydrophobicContact CG-CB 4.32Å; Y69-R106 HydrophobicContact CG-CG 3.56Å; Y69-F107 HydrophobicContact CE2-CB 4.14Å; Y69-D110 HydrophobicContact CE1-CB 4.39Å
70Q95.3Very high92.1Very high97 Ų9767.9 Ų67.945%0.45337%0.368SS..Hα-helixtrans-63.9-39.6176.9-68.4-57.1-32.500112.3E66 L73 S74E66-Q70 HydrophobicContact CG-CG 4.36Å; E66-Q70 WeakPolarHBondContact O-CB 3.27Å; E66-Q70 WeakPolarHBondContact O-CG 3.39Å; E66-Q70 PolarHBondContact O-N 3.25Å; E66-Q70 WeakPolarHBondContact OE1-CG 3.37Å; E66-Q70 PolarHBondContact OE1-NE2 2.95Å; Q70-L73 PolarHBondContact O-N 3.19Å; Q70-S74 PolarHBondContact O-N 3.42Å; Q70-S74 PolarHBondContact O-OG 2.62Å; Q70-S74 VanDerWaalsContact O-OG 3.11Å
71R95.4Very high92.1Very high84 Ų8471.6 Ų71.632%0.31740%0.399SS..Hα-helixtrans-65.5-41.2174.8-170.1168.4168.7-154.3-10.2111.5S67 Y69 S74 E75 L88 E91S67-R71 VanDerWaalsContact O-CB 3.31Å; S67-R71 WeakPolarHBondContact O-CB 3.19Å; S67-R71 PolarHBondContact O-N 2.97Å; S67-R71 VanDerWaalsContact O-N 3.09Å; Y69-R71 VanDerWaalsContact C-N 3.33Å; Y69-R71 PolarHBondContact O-N 3.43Å; R71-S74 PolarHBondContact O-N 3.3Å; R71-S74 PolarHBondContact O-OG 2.69Å; R71-E75 HydrophobicContact CG-CG 4.37Å; R71-E75 VanDerWaalsContact CG-OE1 3.28Å; R71-E75 WeakPolarHBondContact CG-OE1 3.3Å; R71-E75 IonicContact CZ-OE1 3.42Å; R71-E75 IonicContact NE-OE1 2.71Å; R71-E75 PolarHBondContact NE-OE1 2.86Å; R71-E75 IonicContact NH2-OE1 3.56Å; R71-E75 PolarHBondContact NH2-OE1 2.6Å; R71-E75 WeakPolarHBondContact O-CB 3.49Å; R71-E75 WeakPolarHBondContact O-CG 3.49Å; R71-E75 PolarHBondContact O-N 2.68Å; R71-L88 HydrophobicContact CB-CD2 4.48Å; R71-L88 HydrophobicContact CG-CD2 3.98Å; R71-E91 IonicContact CZ-OE1 2.62Å; R71-E91 IonicContact CZ-OE2 3.85Å; R71-E91 IonicContact NH1-OE2 3.38Å; R71-E91 PolarHBondContact NH1-OE2 2.6Å; R71-E91 VanDerWaalsContact NH2-CD 3.27Å; R71-E91 IonicContact NH2-OE1 3.16Å; R71-E91 PolarHBondContact NH2-OE1 3.42Å; R71-E91 IonicContact NH2-OE2 2.92Å; R71-E91 PolarHBondContact NH2-OE2 2.92Å
72Y95.6Very high92.1Very high3 Ų373.2 Ų73.21%0.01240%0.4CS..Hα-helixtrans-57.3-51.5173.2171.6-102.6000112.1Y68 Y69 S74 E75 A76 V84 L85 I103 L182 H185Y68-Y72 WeakPolarHBondContact O-CB 3.35Å; Y68-Y72 PolarHBondContact O-N 3.38Å; Y69-Y72 WeakPolarHBondContact O-CB 3.11Å; Y69-Y72 PolarHBondContact O-N 3.49Å; Y72-S74 VanDerWaalsContact C-N 3.34Å; Y72-S74 PolarHBondContact O-N 3.17Å; Y72-E75 PolarHBondContact O-N 2.81Å; Y72-A76 HydrophobicContact CD2-CB 4.35Å; Y72-A76 HydrophobicContact CE1-CB 4.49Å; Y72-A76 HydrophobicContact CE2-CB 3.96Å; Y72-A76 WeakPolarHBondContact O-CB 3.25Å; Y72-A76 PolarHBondContact O-N 3.16Å; Y72-V84 HydrophobicContact CD2-CB 4.23Å; Y72-V84 HydrophobicContact CD2-CG1 3.92Å; Y72-L85 HydrophobicContact CD2-CD2 3.28Å; Y72-L85 HydrophobicContact CD2-CG 3.81Å; Y72-L85 HydrophobicContact CE2-CD1 4.31Å; Y72-L85 HydrophobicContact CE2-CD2 3.74Å; Y72-L85 HydrophobicContact CE2-CG 3.75Å; Y72-L85 HydrophobicContact CG-CD2 3.96Å; Y72-I103 HydrophobicContact CD1-CG2 4.02Å; Y72-I103 HydrophobicContact CE1-CG2 4.36Å; Y72-I103 HydrophobicContact CG-CG2 4.23Å; Y72-L182 HydrophobicContact CE1-CD1 3.97Å; Y72-L182 HydrophobicContact CE2-CD1 4.36Å; Y72-L182 WeakPolarHBondContact OH-CA 3.34Å; Y72-L182 WeakPolarHBondContact OH-CB 3.38Å; Y72-L182 PolarHBondContact OH-N 3.2Å; Y72-H185 HydrophobicContact CE2-CB 4.49Å; Y72-H185 AromaticContact CE2-ND1 3.41Å; Y72-H185 WeakPolarHBondContact CE2-ND1 3.44Å; Y72-H185 AromaticContact CZ-ND1 3.84Å; Y72-H185 PolarHBondContact OH-ND1 3.1Å
73L93.9Very high92.2Very high68 Ų6870.2 Ų70.236%0.35638%0.38SS..Hα-helixtrans-60-42.4-178.9-69.4176.1000112.4Y69 Q70 K77Y69-L73 HydrophobicContact CD1-CD1 4.05Å; Y69-L73 HydrophobicContact CE1-CD1 3.69Å; Y69-L73 HydrophobicContact CE1-CG 4.34Å; Y69-L73 HydrophobicContact CE2-CD2 4.48Å; Y69-L73 HydrophobicContact CE2-CG 4.5Å; Y69-L73 WeakPolarHBondContact O-CG 3.09Å; Y69-L73 PolarHBondContact O-N 3.29Å; Q70-L73 PolarHBondContact O-N 3.19Å; L73-K77 WeakPolarHBondContact O-CB 3.25Å; L73-K77 PolarHBondContact O-N 2.94Å
74S94Very high92.3Very high72 Ų7263.6 Ų63.650%0.50335%0.345SS..Hα-helixtrans-69.5-46.3-179.760.10000112.4Q70 R71 Y72 A78Q70-S74 PolarHBondContact O-N 3.42Å; Q70-S74 PolarHBondContact O-OG 2.62Å; Q70-S74 VanDerWaalsContact O-OG 3.11Å; R71-S74 PolarHBondContact O-N 3.3Å; R71-S74 PolarHBondContact O-OG 2.69Å; Y72-S74 VanDerWaalsContact C-N 3.34Å; Y72-S74 PolarHBondContact O-N 3.17Å; S74-A78 WeakPolarHBondContact O-CB 3.35Å; S74-A78 PolarHBondContact O-N 2.98Å
75E94.4Very high92.4Very high40 Ų4062.3 Ų62.319%0.18734%0.336CS..Hα-helixtrans-74.3-39.1-178.2-69.8-170.4-14800113R71 Y72 K77 A78 R79 V84R71-E75 HydrophobicContact CG-CG 4.37Å; R71-E75 VanDerWaalsContact CG-OE1 3.28Å; R71-E75 WeakPolarHBondContact CG-OE1 3.3Å; R71-E75 IonicContact CZ-OE1 3.42Å; R71-E75 IonicContact NE-OE1 2.71Å; R71-E75 PolarHBondContact NE-OE1 2.86Å; R71-E75 IonicContact NH2-OE1 3.56Å; R71-E75 PolarHBondContact NH2-OE1 2.6Å; R71-E75 WeakPolarHBondContact O-CB 3.49Å; R71-E75 WeakPolarHBondContact O-CG 3.49Å; R71-E75 PolarHBondContact O-N 2.68Å; Y72-E75 PolarHBondContact O-N 2.81Å; E75-K77 VanDerWaalsContact C-N 3.27Å; E75-K77 PolarHBondContact O-N 3.38Å; E75-A78 PolarHBondContact O-N 3.42Å; E75-R79 PolarHBondContact O-N 2.83Å; E75-V84 HydrophobicContact CB-CG1 3.83Å; E75-V84 HydrophobicContact CB-CG2 3.83Å
76A91.6Very high92.3Very high13 Ų1361.8 Ų61.811%0.10733%0.333CS..Hα-helixtrans-64.5-34.7178.600000111.6Y72 R79 P80 V84Y72-A76 HydrophobicContact CD2-CB 4.35Å; Y72-A76 HydrophobicContact CE1-CB 4.49Å; Y72-A76 HydrophobicContact CE2-CB 3.96Å; Y72-A76 WeakPolarHBondContact O-CB 3.25Å; Y72-A76 PolarHBondContact O-N 3.16Å; A76-R79 CarbonylContact O-C 3.55Å; A76-P80 WeakPolarHBondContact O-CA 3.27Å; A76-V84 HydrophobicContact CB-CG2 4.38Å
77K89.8Confident92.2Very high185 Ų18561.9 Ų61.980%0.80433%0.334SS*.Hα-helixtrans-69.7-40.9173.7-173.7177.1-179.1178.90112.1L73 E75L73-K77 WeakPolarHBondContact O-CB 3.25Å; L73-K77 PolarHBondContact O-N 2.94Å; E75-K77 VanDerWaalsContact C-N 3.27Å; E75-K77 PolarHBondContact O-N 3.38Å
78A91.9Very high92.1Very high76 Ų7658.4 Ų58.463%0.62831%0.31SS*.Hα-helixtrans-73.2-32-179.800000112.7S74 E75S74-A78 WeakPolarHBondContact O-CB 3.35Å; S74-A78 PolarHBondContact O-N 2.98Å; E75-A78 PolarHBondContact O-N 3.42Å
79R90.2Very high91.9Very high141 Ų14157.3 Ų57.353%0.53231%0.305SS..  trans-139.678-173.1-57.4179.2-176.4170.51.6111.3E75 A76 S81 F82E75-R79 PolarHBondContact O-N 2.83Å; A76-R79 CarbonylContact O-C 3.55Å; R79-S81 PolarHBondContact O-N 3.3Å; R79-S81 VanDerWaalsContact O-N 3.1Å; R79-F82 HydrophobicContact CB-CB 3.58Å; R79-F82 HydrophobicContact CB-CG 4.43Å; R79-F82 WeakPolarHBondContact O-CB 3.49Å; R79-F82 PolarHBondContact O-N 3.01Å
80P81.3Confident91.5Very high98 Ų9858.4 Ų58.464%0.63631%0.312SS*.THydrogen-bonded Turntrans-61.7-23.1-173.2-26.235.6000115.9A76A76-P80 WeakPolarHBondContact O-CA 3.27Å
81S84.3Confident91.3Very high121 Ų12158.5 Ų58.585%0.84631%0.312SS*.THydrogen-bonded Turntrans-97.2-5.417955.70000113.9R79R79-S81 PolarHBondContact O-N 3.3Å; R79-S81 VanDerWaalsContact O-N 3.1Å
82F90.1Very high90.9Very high68 Ų6855.9 Ų55.930%0.29831%0.305SS..SBendtrans-83.2133.7-177.9-174.5-103.9000109.8R79 V84 E87 H185R79-F82 HydrophobicContact CB-CB 3.58Å; R79-F82 HydrophobicContact CB-CG 4.43Å; R79-F82 WeakPolarHBondContact O-CB 3.49Å; R79-F82 PolarHBondContact O-N 3.01Å; F82-V84 HydrophobicContact CD1-CG2 3.87Å; F82-V84 PolarHBondContact O-N 3.19Å; F82-E87 HydrophobicContact CE1-CB 4.18Å; F82-E87 HydrophobicContact CE1-CG 3.82Å; F82-E87 HydrophobicContact CZ-CB 4.38Å; F82-E87 HydrophobicContact CZ-CG 3.66Å; F82-H185 PolarHBondContact O-NE2 3.4Å
83P90.8Very high90.4Very high41 Ų4158.1 Ų58.127%0.26632%0.317SS..  trans-77.565.9-175.734.5-37.7000111.5L85 L86 E87P83-L85 VanDerWaalsContact C-N 3.31Å; P83-L85 PolarHBondContact O-N 3.2Å; P83-L86 HydrophobicContact CB-CB 4.04Å; P83-L86 HydrophobicContact CB-CD2 4.39Å; P83-L86 WeakPolarHBondContact O-CB 3.41Å; P83-L86 PolarHBondContact O-N 3.26Å; P83-E87 PolarHBondContact O-N 3.02Å; P83-E87 VanDerWaalsContact O-N 3.13Å
84V94.4Very high90.1Very high0 Ų055 Ų550%030%0.301CS..Hα-helixtrans-51.4-47.9-170.8178.80000111.8Y72 E75 A76 F82 L86 E87 L88Y72-V84 HydrophobicContact CD2-CB 4.23Å; Y72-V84 HydrophobicContact CD2-CG1 3.92Å; E75-V84 HydrophobicContact CB-CG1 3.83Å; E75-V84 HydrophobicContact CB-CG2 3.83Å; A76-V84 HydrophobicContact CB-CG2 4.38Å; F82-V84 HydrophobicContact CD1-CG2 3.87Å; F82-V84 PolarHBondContact O-N 3.19Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 3.03Å; V84-E87 PolarHBondContact O-N 2.93Å; V84-L88 HydrophobicContact CG1-CD1 3.86Å; V84-L88 HydrophobicContact CG1-CG 4.22Å; V84-L88 WeakPolarHBondContact O-CB 3.46Å; V84-L88 VanDerWaalsContact O-CG 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 3.24Å
85L93.6Very high89.7Confident1 Ų151.6 Ų51.61%0.00528%0.277CS..Hα-helixtrans-64.3-35.4-178.7-66.3-171.1000113.5Y72 P83 L88 A89 I103 L182 H185 V186 C189Y72-L85 HydrophobicContact CD2-CD2 3.28Å; Y72-L85 HydrophobicContact CD2-CG 3.81Å; Y72-L85 HydrophobicContact CE2-CD1 4.31Å; Y72-L85 HydrophobicContact CE2-CD2 3.74Å; Y72-L85 HydrophobicContact CE2-CG 3.75Å; Y72-L85 HydrophobicContact CG-CD2 3.96Å; P83-L85 VanDerWaalsContact C-N 3.31Å; P83-L85 PolarHBondContact O-N 3.2Å; L85-L88 HydrophobicContact CD2-CD1 4.42Å; L85-A89 WeakPolarHBondContact O-CB 3.41Å; L85-A89 PolarHBondContact O-N 3.36Å; L85-I103 HydrophobicContact CD2-CB 4.13Å; L85-I103 HydrophobicContact CD2-CG1 3.65Å; L85-I103 HydrophobicContact CD2-CG2 4.11Å; L85-L182 HydrophobicContact CD1-CD1 3.96Å; L85-H185 HydrophobicContact CB-CB 4.25Å; L85-H185 HydrophobicContact CD1-CB 3.67Å; L85-H185 HydrophobicContact CG-CB 3.81Å; L85-V186 HydrophobicContact CD1-CG2 4.15Å; L85-C189 WeakPolarHBondContact CB-SG 3.45Å
86L91.4Very high89.6Confident25 Ų2549.9 Ų49.913%0.13127%0.27CS..Hα-helixtrans-67.9-44.1178.3-177.161.5000110.4P83 V84 A89 N90 P96 N192P83-L86 HydrophobicContact CB-CB 4.04Å; P83-L86 HydrophobicContact CB-CD2 4.39Å; P83-L86 WeakPolarHBondContact O-CB 3.41Å; P83-L86 PolarHBondContact O-N 3.26Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 3.03Å; L86-A89 WeakPolarHBondContact O-CB 3.02Å; L86-A89 PolarHBondContact O-N 2.81Å; L86-N90 PolarHBondContact O-N 2.99Å; L86-N90 PolarHBondContact O-ND2 3.44Å; L86-P96 HydrophobicContact CD1-CB 3.82Å; L86-P96 HydrophobicContact CD1-CG 3.53Å; L86-N192 HydrophobicContact CD1-CB 3.95Å; L86-N192 HydrophobicContact CD2-CB 4.16Å
87E91.6Very high89.4Confident63 Ų6350.4 Ų50.429%0.29427%0.274SS..Hα-helixtrans-67.6-43.9177.9-67.2-54.613500112F82 P83 V84 A89 N90 E91F82-E87 HydrophobicContact CE1-CB 4.18Å; F82-E87 HydrophobicContact CE1-CG 3.82Å; F82-E87 HydrophobicContact CZ-CB 4.38Å; F82-E87 HydrophobicContact CZ-CG 3.66Å; P83-E87 PolarHBondContact O-N 3.02Å; P83-E87 VanDerWaalsContact O-N 3.13Å; V84-E87 PolarHBondContact O-N 2.93Å; E87-A89 VanDerWaalsContact C-N 3.27Å; E87-A89 PolarHBondContact O-N 2.94Å; E87-N90 PolarHBondContact O-N 2.88Å; E87-N90 VanDerWaalsContact O-N 3.12Å; E87-E91 WeakPolarHBondContact O-CG 3.36Å; E87-E91 PolarHBondContact O-N 2.99Å
88L93.2Very high89.4Confident1 Ų142.2 Ų42.21%0.00524%0.239CC..Hα-helixtrans-55.4-44.4173.4-74.6176000111.5R71 V84 L85 E91 V92 M99R71-L88 HydrophobicContact CB-CD2 4.48Å; R71-L88 HydrophobicContact CG-CD2 3.98Å; V84-L88 HydrophobicContact CG1-CD1 3.86Å; V84-L88 HydrophobicContact CG1-CG 4.22Å; V84-L88 WeakPolarHBondContact O-CB 3.46Å; V84-L88 VanDerWaalsContact O-CG 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 3.24Å; L85-L88 HydrophobicContact CD2-CD1 4.42Å; L88-E91 PolarHBondContact O-N 2.71Å; L88-V92 WeakPolarHBondContact O-CG2 3.35Å; L88-V92 PolarHBondContact O-N 3.09Å; L88-M99 HydrophobicContact CB-CE 4.08Å; L88-M99 HydrophobicContact CB-CG 4.46Å; L88-M99 HydrophobicContact CB-SD 4.46Å
89A91.2Very high89.5Confident0 Ų038.6 Ų38.60%021%0.209CC..Hα-helixtrans-61.3-46177.200000111.8L85 L86 E87 E91 V92 D93 L94 P96 M99L85-A89 WeakPolarHBondContact O-CB 3.41Å; L85-A89 PolarHBondContact O-N 3.36Å; L86-A89 WeakPolarHBondContact O-CB 3.02Å; L86-A89 PolarHBondContact O-N 2.81Å; E87-A89 VanDerWaalsContact C-N 3.27Å; E87-A89 PolarHBondContact O-N 2.94Å; A89-E91 PolarHBondContact O-N 3.17Å; A89-V92 PolarHBondContact O-N 2.9Å; A89-D93 PolarHBondContact O-N 3.04Å; A89-L94 CarbonylContact C-O 3.59Å; A89-L94 WeakPolarHBondContact CB-O 3.4Å; A89-L94 PolarHBondContact O-N 3.12Å; A89-P96 HydrophobicContact CB-CB 4.32Å; A89-P96 HydrophobicContact CB-CG 4.22Å; A89-M99 HydrophobicContact CB-CB 3.68Å; A89-M99 HydrophobicContact CB-CG 4.08Å
90N88Confident89.6Confident30 Ų3031.9 Ų31.916%0.1618%0.184CC..Hα-helixtrans-64.7-37.7179.7-71.6-29000113.2L86 E87L86-N90 PolarHBondContact O-N 2.99Å; L86-N90 PolarHBondContact O-ND2 3.44Å; E87-N90 PolarHBondContact O-N 2.88Å; E87-N90 VanDerWaalsContact O-N 3.12Å
91E89.5Confident90.1Very high99 Ų9928.5 Ų28.546%0.46316%0.158SC..Hα-helixtrans-68.6-35.2-179.7-75.2177.9-169.700112.8R71 E87 L88 A89R71-E91 IonicContact CZ-OE1 2.62Å; R71-E91 IonicContact CZ-OE2 3.85Å; R71-E91 IonicContact NH1-OE2 3.38Å; R71-E91 PolarHBondContact NH1-OE2 2.6Å; R71-E91 VanDerWaalsContact NH2-CD 3.27Å; R71-E91 IonicContact NH2-OE1 3.16Å; R71-E91 PolarHBondContact NH2-OE1 3.42Å; R71-E91 IonicContact NH2-OE2 2.92Å; R71-E91 PolarHBondContact NH2-OE2 2.92Å; E87-E91 WeakPolarHBondContact O-CG 3.36Å; E87-E91 PolarHBondContact O-N 2.99Å; L88-E91 PolarHBondContact O-N 2.71Å; A89-E91 PolarHBondContact O-N 3.17Å
92V88.9Confident90.5Very high29 Ų2923.3 Ų23.318%0.17612%0.121CC..THydrogen-bonded Turntrans-98.15.1-176-50.90000113.7R58 H59 Y68 L88 A89 L94 M99R58-V92 PolarHBondContact NH2-O 3.38Å; H59-V92 PolarHBondContact CE1-O 3.23Å; H59-V92 VanDerWaalsContact CE1-O 3.26Å; Y68-V92 HydrophobicContact CE1-CG1 3.84Å; L88-V92 WeakPolarHBondContact O-CG2 3.35Å; L88-V92 PolarHBondContact O-N 3.09Å; A89-V92 PolarHBondContact O-N 2.9Å; V92-L94 HydrophobicContact CG2-CB 3.76Å; V92-M99 HydrophobicContact CG2-CE 3.67Å
93D84.4Confident90.7Very high49 Ų4920.1 Ų20.126%0.26211%0.107SC..THydrogen-bonded Turntrans5451.1-175.6-161.930.5000112.3R51 A89R51-D93 WeakPolarHBondContact CD-OD2 3.04Å; R51-D93 IonicContact CZ-OD2 3.41Å; R51-D93 IonicContact NE-OD2 3.72Å; R51-D93 IonicContact NH1-OD1 3.64Å; R51-D93 IonicContact NH1-OD2 3.71Å; R51-D93 PolarHBondContact NH1-OD2 3.21Å; A89-D93 PolarHBondContact O-N 3.04Å
94L87.2Confident90.9Very high3 Ų318.1 Ų18.12%0.0169%0.094CC..  trans-119.9148.7175.2-175.964.2000110T52 M56 H59 A89 V92 L98 M99 I102T52-L94 HydrophobicContact CG2-CD1 4.49Å; M56-L94 HydrophobicContact CE-CD1 3.85Å; H59-L94 HydrophobicContact CB-CD2 4.16Å; A89-L94 CarbonylContact C-O 3.59Å; A89-L94 WeakPolarHBondContact CB-O 3.4Å; A89-L94 PolarHBondContact O-N 3.12Å; V92-L94 HydrophobicContact CG2-CB 3.76Å; L94-L98 HydrophobicContact CD1-CB 3.88Å; L94-L98 HydrophobicContact CD1-CD1 4.12Å; L94-L98 HydrophobicContact CD2-CB 4.29Å; L94-L98 HydrophobicContact CG-CB 3.98Å; L94-M99 HydrophobicContact CD2-CB 4.22Å; L94-M99 HydrophobicContact CD2-CE 4.14Å; L94-I102 HydrophobicContact CD2-CD1 3.69Å
95S86.8Confident90.8Very high0 Ų019.5 Ų19.50%010%0.101CC..  trans-61.5137.7174.7121.50000111Y48 A97 L98 M99 D193Y48-S95 VanDerWaalsContact OH-CA 3.26Å; Y48-S95 WeakPolarHBondContact OH-CA 3.4Å; Y48-S95 PolarHBondContact OH-N 3.07Å; S95-A97 VanDerWaalsContact C-N 3.26Å; S95-A97 PolarHBondContact O-N 2.93Å; S95-A97 PolarHBondContact OG-N 3.27Å; S95-L98 PolarHBondContact O-N 3.49Å; S95-L98 WeakPolarHBondContact OG-CG 3.31Å; S95-L98 PolarHBondContact OG-N 3.21Å; S95-M99 PolarHBondContact O-N 2.63Å; S95-D193 VanDerWaalsContact CB-OD2 3.24Å; S95-D193 WeakPolarHBondContact CB-OD2 3.27Å; S95-D193 PolarHBondContact OG-OD2 2.66Å
96P91Very high90.7Very high5 Ų521.4 Ų21.43%0.03211%0.109CC..Hα-helixtrans-54.4-40.5176.6-28.535.9000113.2L86 A89 L98 M99 A100 C189 D193L86-P96 HydrophobicContact CD1-CB 3.82Å; L86-P96 HydrophobicContact CD1-CG 3.53Å; A89-P96 HydrophobicContact CB-CB 4.32Å; A89-P96 HydrophobicContact CB-CG 4.22Å; P96-L98 VanDerWaalsContact C-N 3.33Å; P96-L98 PolarHBondContact O-N 3.34Å; P96-M99 PolarHBondContact O-N 3.38Å; P96-A100 WeakPolarHBondContact O-CB 3.41Å; P96-A100 PolarHBondContact O-N 2.97Å; P96-C189 HydrophobicContact CB-CB 3.79Å; P96-C189 WeakPolarHBondContact O-CB 3.5Å; P96-D193 HydrophobicContact CB-CB 4.29Å; P96-D193 WeakPolarHBondContact CD-OD2 3.4Å; P96-D193 HydrophobicContact CG-CB 4.44Å
97A88.3Confident90.8Very high23 Ų2320.9 Ų20.919%0.1911%0.105CC..Hα-helixtrans-64.8-35.6176.600000112.6S95 R101 D193S95-A97 VanDerWaalsContact C-N 3.26Å; S95-A97 PolarHBondContact O-N 2.93Å; S95-A97 PolarHBondContact OG-N 3.27Å; A97-R101 WeakPolarHBondContact O-CB 3.44Å; A97-R101 PolarHBondContact O-N 3.4Å; A97-D193 HydrophobicContact CB-CB 4.23Å; A97-D193 WeakPolarHBondContact CB-OD2 3.34Å; A97-D193 PolarHBondContact N-OD2 2.91Å
98L89.3Confident90.7Very high13 Ų1318.7 Ų18.77%0.06810%0.095CC..Hα-helixtrans-73.4-37.4176.7-65.3169.2000111.9T52 M56 L94 S95 P96 R101 I102 Y196T52-L98 HydrophobicContact CG2-CD1 3.41Å; T52-L98 VanDerWaalsContact CG2-CD1 3.41Å; M56-L98 HydrophobicContact CE-CB 4.38Å; M56-L98 HydrophobicContact CE-CD1 3.57Å; M56-L98 HydrophobicContact CE-CD2 4.21Å; M56-L98 HydrophobicContact CE-CG 4.26Å; L94-L98 HydrophobicContact CD1-CB 3.88Å; L94-L98 HydrophobicContact CD1-CD1 4.12Å; L94-L98 HydrophobicContact CD2-CB 4.29Å; L94-L98 HydrophobicContact CG-CB 3.98Å; S95-L98 PolarHBondContact O-N 3.49Å; S95-L98 WeakPolarHBondContact OG-CG 3.31Å; S95-L98 PolarHBondContact OG-N 3.21Å; P96-L98 VanDerWaalsContact C-N 3.33Å; P96-L98 PolarHBondContact O-N 3.34Å; L98-R101 WeakPolarHBondContact O-CB 3.46Å; L98-R101 PolarHBondContact O-N 3.06Å; L98-I102 WeakPolarHBondContact O-CG1 3.45Å; L98-I102 PolarHBondContact O-N 3.45Å; L98-Y196 HydrophobicContact CD1-CD2 4.23Å; L98-Y196 HydrophobicContact CD1-CE2 4.29Å; L98-Y196 HydrophobicContact CD1-CG 4.49Å
99M93Very high90.4Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-62-48.4171.5-179.757.976.800111.1Y68 L88 A89 V92 L94 S95 P96 R101 I102 I103Y68-M99 HydrophobicContact CD1-CE 4.47Å; Y68-M99 HydrophobicContact CD2-CE 4.09Å; Y68-M99 HydrophobicContact CD2-SD 4.21Å; Y68-M99 HydrophobicContact CE2-CE 4.26Å; Y68-M99 HydrophobicContact CG-CE 4.21Å; Y68-M99 HydrophobicContact CG-SD 4.33Å; L88-M99 HydrophobicContact CB-CE 4.08Å; L88-M99 HydrophobicContact CB-CG 4.46Å; L88-M99 HydrophobicContact CB-SD 4.46Å; A89-M99 HydrophobicContact CB-CB 3.68Å; A89-M99 HydrophobicContact CB-CG 4.08Å; V92-M99 HydrophobicContact CG2-CE 3.67Å; L94-M99 HydrophobicContact CD2-CB 4.22Å; L94-M99 HydrophobicContact CD2-CE 4.14Å; S95-M99 PolarHBondContact O-N 2.63Å; P96-M99 PolarHBondContact O-N 3.38Å; M99-R101 VanDerWaalsContact C-N 3.26Å; M99-R101 PolarHBondContact O-N 3.03Å; M99-I102 PolarHBondContact O-N 3.18Å; M99-I102 VanDerWaalsContact O-N 3.09Å; M99-I103 WeakPolarHBondContact O-CG1 3.29Å; M99-I103 PolarHBondContact O-N 3.42Å; M99-I103 HydrophobicContact SD-CG1 4.19Å
100A93.3Very high90.2Very high1 Ų126 Ų261%0.00813%0.131CC..Hα-helixtrans-55-43.8175.200000111.6P96 I102 I103 V104 L171 V186 C189P96-A100 WeakPolarHBondContact O-CB 3.41Å; P96-A100 PolarHBondContact O-N 2.97Å; A100-I102 PolarHBondContact O-N 3.48Å; A100-I103 PolarHBondContact O-N 3.11Å; A100-V104 WeakPolarHBondContact O-CB 3.31Å; A100-V104 VanDerWaalsContact O-CG2 3.26Å; A100-V104 WeakPolarHBondContact O-CG2 3.28Å; A100-V104 PolarHBondContact O-N 3.27Å; A100-L171 HydrophobicContact CB-CD2 4.46Å; A100-V186 HydrophobicContact CB-CB 4.48Å; A100-V186 HydrophobicContact CB-CG1 4.27Å; A100-V186 HydrophobicContact CB-CG2 4.17Å; A100-C189 HydrophobicContact CB-CB 3.92Å
101R92.2Very high89.9Confident26 Ų2629 Ų2910%0.09815%0.145CC..Hα-helixtrans-58.8-46.3174.9178.4174.5-170.398.410.4113.1A97 L98 M99 I103 D105 Y130 L167 N168 L171A97-R101 WeakPolarHBondContact O-CB 3.44Å; A97-R101 PolarHBondContact O-N 3.4Å; L98-R101 WeakPolarHBondContact O-CB 3.46Å; L98-R101 PolarHBondContact O-N 3.06Å; M99-R101 VanDerWaalsContact C-N 3.26Å; M99-R101 PolarHBondContact O-N 3.03Å; R101-I103 VanDerWaalsContact C-N 3.32Å; R101-I103 PolarHBondContact O-N 3.13Å; R101-D105 VanDerWaalsContact O-CB 3.25Å; R101-D105 WeakPolarHBondContact O-CB 3.37Å; R101-D105 PolarHBondContact O-N 3.49Å; R101-Y130 VanDerWaalsContact NH1-CD1 3.34Å; R101-L167 HydrophobicContact CG-CD2 4.42Å; R101-N168 PolarHBondContact NH1-OD1 3.41Å; R101-N168 PolarHBondContact NH2-OD1 2.9Å; R101-L171 HydrophobicContact CB-CD1 3.82Å; R101-L171 HydrophobicContact CB-CD2 4.38Å; R101-L171 HydrophobicContact CG-CD1 3.8Å
102I92.6Very high89.2Confident13 Ų1328.3 Ų28.37%0.06714%0.142CC..Hα-helixtrans-59.7-45.8179-70.3168.3000110.4H59 I65 Y68 L94 L98 M99 A100 D105 R106H59-I102 HydrophobicContact CB-CD1 3.99Å; I65-I102 HydrophobicContact CB-CG2 4.34Å; I65-I102 HydrophobicContact CG1-CG2 3.95Å; I65-I102 HydrophobicContact CG2-CG2 4.04Å; Y68-I102 HydrophobicContact CD2-CG2 4.47Å; L94-I102 HydrophobicContact CD2-CD1 3.69Å; L98-I102 WeakPolarHBondContact O-CG1 3.45Å; L98-I102 PolarHBondContact O-N 3.45Å; M99-I102 PolarHBondContact O-N 3.18Å; M99-I102 VanDerWaalsContact O-N 3.09Å; A100-I102 PolarHBondContact O-N 3.48Å; I102-D105 PolarHBondContact O-N 3.39Å; I102-R106 PolarHBondContact O-N 3.21Å
103I94.8Very high87.8Confident0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-70.3-42.1-177-63.2-62.8000112Y69 Y72 L85 M99 A100 R101 D105 R106 F107 L182Y69-I103 HydrophobicContact CD2-CD1 4.28Å; Y69-I103 HydrophobicContact CD2-CG2 4.2Å; Y69-I103 HydrophobicContact CE2-CG2 4.46Å; Y72-I103 HydrophobicContact CD1-CG2 4.02Å; Y72-I103 HydrophobicContact CE1-CG2 4.36Å; Y72-I103 HydrophobicContact CG-CG2 4.23Å; L85-I103 HydrophobicContact CD2-CB 4.13Å; L85-I103 HydrophobicContact CD2-CG1 3.65Å; L85-I103 HydrophobicContact CD2-CG2 4.11Å; M99-I103 WeakPolarHBondContact O-CG1 3.29Å; M99-I103 PolarHBondContact O-N 3.42Å; M99-I103 HydrophobicContact SD-CG1 4.19Å; A100-I103 PolarHBondContact O-N 3.11Å; R101-I103 VanDerWaalsContact C-N 3.32Å; R101-I103 PolarHBondContact O-N 3.13Å; I103-D105 VanDerWaalsContact C-N 3.35Å; I103-R106 PolarHBondContact O-N 2.97Å; I103-F107 VanDerWaalsContact O-CB 3.25Å; I103-F107 WeakPolarHBondContact O-CB 3.25Å; I103-F107 PolarHBondContact O-N 3.24Å; I103-L182 HydrophobicContact CG2-CD1 3.73Å
104V93.3Very high86.1Confident0 Ų030.3 Ų30.30%017%0.166CC..Hα-helixtrans-65.6-39.5176.7177.90000111A100 F107 L108 L167 M170 L171 I177 V186A100-V104 WeakPolarHBondContact O-CB 3.31Å; A100-V104 VanDerWaalsContact O-CG2 3.26Å; A100-V104 WeakPolarHBondContact O-CG2 3.28Å; A100-V104 PolarHBondContact O-N 3.27Å; V104-F107 PolarHBondContact O-N 3.34Å; V104-L108 HydrophobicContact CG1-CD1 4.39Å; V104-L108 WeakPolarHBondContact O-CG 3.34Å; V104-L108 PolarHBondContact O-N 2.94Å; V104-L167 HydrophobicContact CB-CD1 3.79Å; V104-L167 HydrophobicContact CG1-CD1 3.48Å; V104-L167 VanDerWaalsContact CG1-CD1 3.48Å; V104-M170 HydrophobicContact CG1-CB 4.29Å; V104-M170 HydrophobicContact CG1-SD 4.28Å; V104-L171 HydrophobicContact CB-CD2 4.4Å; V104-L171 HydrophobicContact CG2-CD2 4.15Å; V104-I177 HydrophobicContact CG2-CD1 3.93Å; V104-V186 HydrophobicContact CG2-CG2 3.52Å
105D92.1Very high84.2Confident29 Ų2935.1 Ų35.116%0.15520%0.196CC..Hα-helixtrans-62.4-44.8176.3-169.249.4000111.4R101 I102 I103 L108 Q109 L167R101-D105 VanDerWaalsContact O-CB 3.25Å; R101-D105 WeakPolarHBondContact O-CB 3.37Å; R101-D105 PolarHBondContact O-N 3.49Å; I102-D105 PolarHBondContact O-N 3.39Å; I103-D105 VanDerWaalsContact C-N 3.35Å; D105-L108 PolarHBondContact O-N 3.36Å; D105-Q109 WeakPolarHBondContact O-CG 3.49Å; D105-Q109 PolarHBondContact O-N 2.84Å; D105-Q109 VanDerWaalsContact O-N 3.15Å; D105-Q109 PolarHBondContact O-NE2 3.37Å; D105-Q109 PolarHBondContact OD2-NE2 3.26Å; D105-L167 HydrophobicContact CB-CD1 4.26Å; D105-L167 HydrophobicContact CB-CD2 4.03Å
106R92.9Very high81.8Confident41 Ų4141.8 Ų41.816%0.15522%0.222CC..Hα-helixtrans-68.4-35.9176.1-178.358.3-175.689.42.9112.9I65 E66 Y69 I102 I103 Q109 D110I65-R106 HydrophobicContact CG2-CB 3.86Å; I65-R106 HydrophobicContact CG2-CG 4Å; E66-R106 IonicContact OE1-NH2 2.6Å; E66-R106 IonicContact OE2-CZ 3.94Å; E66-R106 IonicContact OE2-NE 3.13Å; E66-R106 PolarHBondContact OE2-NE 2.99Å; E66-R106 IonicContact OE2-NH2 3.48Å; E66-R106 PolarHBondContact OE2-NH2 3.49Å; Y69-R106 HydrophobicContact CD1-CG 3.71Å; Y69-R106 HydrophobicContact CD2-CB 4.25Å; Y69-R106 HydrophobicContact CD2-CG 3.95Å; Y69-R106 HydrophobicContact CE1-CG 4.21Å; Y69-R106 HydrophobicContact CE2-CG 4.45Å; Y69-R106 HydrophobicContact CG-CB 4.32Å; Y69-R106 HydrophobicContact CG-CG 3.56Å; I102-R106 PolarHBondContact O-N 3.21Å; I103-R106 PolarHBondContact O-N 2.97Å; R106-Q109 PolarHBondContact O-N 2.87Å; R106-D110 IonicContact CZ-OD1 2.72Å; R106-D110 IonicContact NH1-OD1 2.84Å; R106-D110 PolarHBondContact NH1-OD1 2.8Å; R106-D110 VanDerWaalsContact NH1-OD1 3.12Å; R106-D110 IonicContact NH2-OD1 2.63Å; R106-D110 PolarHBondContact O-N 3.07Å
107F92.6Very high79.1Confident13 Ų1349.9 Ų49.96%0.05726%0.261CS..Hα-helixtrans-61.2-45.1173.8170.5-93.9000111.4Y69 I103 V104 Q109 D110 Q111 I177 D179 L182Y69-F107 HydrophobicContact CE2-CB 4.14Å; I103-F107 VanDerWaalsContact O-CB 3.25Å; I103-F107 WeakPolarHBondContact O-CB 3.25Å; I103-F107 PolarHBondContact O-N 3.24Å; V104-F107 PolarHBondContact O-N 3.34Å; F107-Q109 VanDerWaalsContact C-N 3.33Å; F107-Q109 PolarHBondContact O-N 3.41Å; F107-D110 WeakPolarHBondContact O-CB 3.39Å; F107-D110 PolarHBondContact O-N 3.34Å; F107-D110 VanDerWaalsContact O-N 3.12Å; F107-Q111 HydrophobicContact CD1-CG 4.32Å; F107-Q111 HydrophobicContact CE1-CG 3.89Å; F107-Q111 HydrophobicContact CE2-CG 4.24Å; F107-Q111 HydrophobicContact CZ-CG 3.85Å; F107-Q111 WeakPolarHBondContact O-CG 2.85Å; F107-Q111 PolarHBondContact O-N 3.16Å; F107-I177 HydrophobicContact CE1-CG2 4.36Å; F107-D179 HydrophobicContact CE2-CB 4.01Å; F107-D179 HydrophobicContact CZ-CB 4.07Å; F107-L182 HydrophobicContact CB-CD2 3.89Å; F107-L182 HydrophobicContact CD1-CD2 3.98Å; F107-L182 HydrophobicContact CD2-CD2 3.75Å; F107-L182 HydrophobicContact CE1-CD2 4.48Å; F107-L182 HydrophobicContact CE2-CD2 4.26Å; F107-L182 HydrophobicContact CG-CD2 3.59Å
108L89.3Confident76.6Confident17 Ų1754.5 Ų54.59%0.08929%0.287CS..Hα-helixtrans-61.5-42.2175.9-73.8173000111.7V104 D105 D110 Q111 E112 V166 L167 M170V104-L108 HydrophobicContact CG1-CD1 4.39Å; V104-L108 WeakPolarHBondContact O-CG 3.34Å; V104-L108 PolarHBondContact O-N 2.94Å; D105-L108 PolarHBondContact O-N 3.36Å; L108-D110 VanDerWaalsContact C-N 3.26Å; L108-D110 PolarHBondContact O-N 2.89Å; L108-Q111 PolarHBondContact O-N 3.1Å; L108-E112 WeakPolarHBondContact O-CB 3.45Å; L108-E112 WeakPolarHBondContact O-CG 3.49Å; L108-E112 PolarHBondContact O-N 3.04Å; L108-V166 HydrophobicContact CD1-CG1 4.36Å; L108-V166 HydrophobicContact CD2-CG1 4.28Å; L108-L167 HydrophobicContact CD1-CB 3.95Å; L108-L167 HydrophobicContact CD1-CD1 4.32Å; L108-M170 HydrophobicContact CD1-SD 4.29Å; L108-M170 HydrophobicContact CD2-CE 3.95Å; L108-M170 HydrophobicContact CD2-SD 3.86Å; L108-M170 HydrophobicContact CG-SD 4.36Å
109Q87.7Confident73.8Confident90 Ų9061.8 Ų61.842%0.42132%0.318SS..Hα-helixtrans-62.5-33.5174.7-68.3167.739.100112.4D105 R106 F107 G113D105-Q109 WeakPolarHBondContact O-CG 3.49Å; D105-Q109 PolarHBondContact O-N 2.84Å; D105-Q109 VanDerWaalsContact O-N 3.15Å; D105-Q109 PolarHBondContact O-NE2 3.37Å; D105-Q109 PolarHBondContact OD2-NE2 3.26Å; R106-Q109 PolarHBondContact O-N 2.87Å; F107-Q109 VanDerWaalsContact C-N 3.33Å; F107-Q109 PolarHBondContact O-N 3.41Å; Q109-G113 PolarHBondContact O-N 3.3Å
110D87.4Confident71Confident64 Ų6470 Ų7034%0.34236%0.361SS..Hα-helixtrans-69.6-42.7176.5-153.864000112.1Y69 R106 F107 L108 G113 S114Y69-D110 HydrophobicContact CE1-CB 4.39Å; R106-D110 IonicContact CZ-OD1 2.72Å; R106-D110 IonicContact NH1-OD1 2.84Å; R106-D110 PolarHBondContact NH1-OD1 2.8Å; R106-D110 VanDerWaalsContact NH1-OD1 3.12Å; R106-D110 IonicContact NH2-OD1 2.63Å; R106-D110 PolarHBondContact O-N 3.07Å; F107-D110 WeakPolarHBondContact O-CB 3.39Å; F107-D110 PolarHBondContact O-N 3.34Å; F107-D110 VanDerWaalsContact O-N 3.12Å; L108-D110 VanDerWaalsContact C-N 3.26Å; L108-D110 PolarHBondContact O-N 2.89Å; D110-G113 PolarHBondContact O-N 3.33Å; D110-S114 WeakPolarHBondContact O-CB 3.39Å; D110-S114 PolarHBondContact O-N 2.87Å
111Q80.8Confident68.3Low94 Ų9472.8 Ų72.844%0.43939%0.389SS..Hα-helixtrans-65-42.6175.1-65.4-63.1-43.600111.3F107 L108 S114 V115F107-Q111 HydrophobicContact CD1-CG 4.32Å; F107-Q111 HydrophobicContact CE1-CG 3.89Å; F107-Q111 HydrophobicContact CE2-CG 4.24Å; F107-Q111 HydrophobicContact CZ-CG 3.85Å; F107-Q111 WeakPolarHBondContact O-CG 2.85Å; F107-Q111 PolarHBondContact O-N 3.16Å; L108-Q111 PolarHBondContact O-N 3.1Å; Q111-S114 PolarHBondContact O-N 2.89Å; Q111-V115 WeakPolarHBondContact O-CG2 3.25Å; Q111-V115 PolarHBondContact O-N 3.02Å
112E75.4Confident65.3Low85 Ų8576.8 Ų76.840%0.39743%0.428SS..Hα-helixtrans-62.8-46.8172.7-72.3176.1-171.700110.5L108 S114 V115 Y116L108-E112 WeakPolarHBondContact O-CB 3.45Å; L108-E112 WeakPolarHBondContact O-CG 3.49Å; L108-E112 PolarHBondContact O-N 3.04Å; E112-S114 VanDerWaalsContact C-N 3.3Å; E112-S114 PolarHBondContact O-N 2.87Å; E112-V115 CarbonylContact O-C 3.19Å; E112-V115 WeakPolarHBondContact O-CA 3.48Å; E112-V115 WeakPolarHBondContact O-CB 3.47Å; E112-V115 PolarHBondContact O-N 2.75Å; E112-Y116 HydrophobicContact CB-CD2 4.27Å; E112-Y116 HydrophobicContact CB-CE2 4.43Å; E112-Y116 WeakPolarHBondContact O-CD2 3.37Å; E112-Y116 PolarHBondContact O-N 3.34Å
113G58.9Low62.4Low36 Ų3679.8 Ų79.837%0.37146%0.462SS..Hα-helixtrans-60.3-35177.200000114.1Q109 D110 V115 Y116 M117Q109-G113 PolarHBondContact O-N 3.3Å; D110-G113 PolarHBondContact O-N 3.33Å; G113-V115 VanDerWaalsContact C-N 3.34Å; G113-Y116 CarbonylContact O-C 3.54Å; G113-Y116 PolarHBondContact O-N 3.35Å; G113-M117 PolarHBondContact O-N 3.26Å
114S49.2Very low59.5Low83 Ų8384.4 Ų84.458%0.5850%0.5SS*.Hα-helixtrans-64.7-37.2172.1-175.20000112D110 Q111 E112D110-S114 WeakPolarHBondContact O-CB 3.39Å; D110-S114 PolarHBondContact O-N 2.87Å; Q111-S114 PolarHBondContact O-N 2.89Å; E112-S114 VanDerWaalsContact C-N 3.3Å; E112-S114 PolarHBondContact O-N 2.87Å
115V46.5Very low57.4Low105 Ų10595.7 Ų95.764%0.63654%0.542SS*.Hα-helixtrans-73.7-37.6173.8177.70000111.6Q111 E112 G113 T118Q111-V115 WeakPolarHBondContact O-CG2 3.25Å; Q111-V115 PolarHBondContact O-N 3.02Å; E112-V115 CarbonylContact O-C 3.19Å; E112-V115 WeakPolarHBondContact O-CA 3.48Å; E112-V115 WeakPolarHBondContact O-CB 3.47Å; E112-V115 PolarHBondContact O-N 2.75Å; G113-V115 VanDerWaalsContact C-N 3.34Å; V115-T118 WeakPolarHBondContact O-CB 2.93Å; V115-T118 PolarHBondContact O-N 3.35Å; V115-T118 PolarHBondContact O-OG1 3.33Å
116Y36.6Very low55.1Low140 Ų14099.8 Ų99.855%0.54956%0.564SS.*Hα-helixtrans-81.4-10.1179.6-78-78.2000114.6E112 G113 T118 K119E112-Y116 HydrophobicContact CB-CD2 4.27Å; E112-Y116 HydrophobicContact CB-CE2 4.43Å; E112-Y116 WeakPolarHBondContact O-CD2 3.37Å; E112-Y116 PolarHBondContact O-N 3.34Å; G113-Y116 CarbonylContact O-C 3.54Å; G113-Y116 PolarHBondContact O-N 3.35Å; Y116-T118 PolarHBondContact O-N 3.04Å; Y116-T118 VanDerWaalsContact O-N 3.1Å; Y116-K119 WeakPolarHBondContact CD1-O 3.43Å; Y116-K119 CarbonylContact O-C 3.57Å; Y116-K119 PolarHBondContact O-N 3.14Å
117M34.2Very low52.7Low175 Ų17599.4 Ų99.486%0.86257%0.569SS**THydrogen-bonded Turntrans-65.8-4.1161.3-85-69.3-11200112.7G113G113-M117 PolarHBondContact O-N 3.26Å
118T36.3Very low50Low120 Ų120103.8 Ų103.874%0.73659%0.59SS**THydrogen-bonded Turntrans-96.3-14.8165.1-42.20000113.1V115 Y116V115-T118 WeakPolarHBondContact O-CB 2.93Å; V115-T118 PolarHBondContact O-N 3.35Å; V115-T118 PolarHBondContact O-OG1 3.33Å; Y116-T118 PolarHBondContact O-N 3.04Å; Y116-T118 VanDerWaalsContact O-N 3.1Å
119K31.5Very low47.4Very low165 Ų165107 Ų10772%0.71761%0.613SS**SBendtrans-151.7116.7176.7-71.8-170.2179.4174.40111.9Y116Y116-K119 WeakPolarHBondContact CD1-O 3.43Å; Y116-K119 CarbonylContact O-C 3.57Å; Y116-K119 PolarHBondContact O-N 3.14Å
120I34.6Very low45.1Very low174 Ų174107.1 Ų107.189%0.89261%0.611SS**  trans-53132.2-173.5-62.3175.7000114.9
121G35.8Very low42.9Very low59 Ų59104.5 Ų104.561%0.60860%0.597SS**  98.8136.9127.800000120.2
122A28.9Very low40.7Very low110 Ų110107 Ų10791%0.90960%0.602SS**  trans75.2120.4174.600000114.7
123G32.6Very low38.9Very low76 Ų76107.3 Ų107.378%0.78460%0.602SS**  cis109113.233.800000108.5
124A33.5Very low37.9Very low96 Ų96107.9 Ų107.979%0.79360%0.598SS**  trans178.6124.2151.300000113.4
125R48.4Very low37.3Very low237 Ų237104.7 Ų104.789%0.89458%0.575SS**  trans-47.7145.4152.2-65.3171.4-94.8-143.5-4.8110.1
126L43.7Very low36.8Very low115 Ų115103.9 Ų103.960%0.60257%0.567SS**  trans168.974.9144.4-88.7154.9000114.5K164L126-K164 VanDerWaalsContact O-CE 3.29Å; L126-K164 WeakPolarHBondContact O-CE 3.3Å
127A42.1Very low36.7Very low33 Ų3399.3 Ų99.327%0.27355%0.552SS.*  trans-97.8-11.7164.900000113.9S129A127-S129 PolarHBondContact O-N 3.1Å
128H37.7Very low36.9Very low106 Ų10694.6 Ų94.649%0.49153%0.528SS..Hα-helixtrans-71.5-29.1-164.7-166.9-111.7000115.3R132H128-R132 WeakPolarHBondContact O-CB 3.44Å; H128-R132 PolarHBondContact O-N 3.15Å
129S34.2Very low36.8Very low83 Ų8390.3 Ų90.358%0.5850%0.503SS*.Hα-helixtrans-76.7-35.7-169.8-177.20000114.8A127 F133A127-S129 PolarHBondContact O-N 3.1Å; S129-F133 PolarHBondContact O-N 3.06Å
130Y38.6Very low36.9Very low93 Ų9385.9 Ų85.937%0.36549%0.485SS..Hα-helixtrans-90.7-30.7-175.8-168.5-100.8000112.1R101 R132 F133 V134R101-Y130 VanDerWaalsContact NH1-CD1 3.34Å; Y130-R132 VanDerWaalsContact C-N 3.34Å; Y130-F133 HydrophobicContact CD2-CB 4.47Å; Y130-F133 AromaticContact CD2-CD1 3.87Å; Y130-F133 HydrophobicContact CD2-CD1 3.87Å; Y130-F133 AromaticContact CE2-CD1 3.57Å; Y130-F133 HydrophobicContact CE2-CD1 3.57Å; Y130-F133 AromaticContact CE2-CE1 3.9Å; Y130-F133 HydrophobicContact CE2-CE1 3.9Å; Y130-F133 CarbonylContact O-C 3.56Å; Y130-F133 WeakPolarHBondContact O-CA 3.35Å; Y130-F133 VanDerWaalsContact O-CB 3.29Å; Y130-F133 WeakPolarHBondContact O-CB 3.34Å; Y130-F133 PolarHBondContact O-N 3.27Å; Y130-V134 HydrophobicContact CD1-CG2 3.82Å; Y130-V134 HydrophobicContact CE1-CG2 3.56Å; Y130-V134 WeakPolarHBondContact O-CG2 3.49Å; Y130-V134 PolarHBondContact O-N 2.68Å
131I42Very low36.9Very low10 Ų1080.7 Ų80.75%0.05147%0.474CS..Hα-helixtrans-69.1-36.8171.7-68.5171.2000109.7M56 F133 V134 L135M56-I131 HydrophobicContact CE-CG2 4.25Å; M56-I131 HydrophobicContact CG-CG2 4.15Å; M56-I131 HydrophobicContact SD-CD1 4.36Å; M56-I131 HydrophobicContact SD-CG2 4.32Å; I131-F133 PolarHBondContact O-N 3.26Å; I131-V134 PolarHBondContact O-N 2.8Å; I131-L135 HydrophobicContact CG2-CD1 3.33Å; I131-L135 HydrophobicContact CG2-CG 3.77Å; I131-L135 WeakPolarHBondContact O-CB 3.36Å; I131-L135 WeakPolarHBondContact O-CG 3.45Å; I131-L135 PolarHBondContact O-N 3.1Å
132R34.9Very low36.8Very low147 Ų14779.4 Ų79.456%0.55546%0.455SS*.Hα-helixtrans-58.5-36.6166.8-175.2-179.7-87179.5-8.2111.9H128 Y130 N136H128-R132 WeakPolarHBondContact O-CB 3.44Å; H128-R132 PolarHBondContact O-N 3.15Å; Y130-R132 VanDerWaalsContact C-N 3.34Å; R132-N136 WeakPolarHBondContact CG-ND2 3.37Å; R132-N136 WeakPolarHBondContact O-CB 3.11Å; R132-N136 PolarHBondContact O-N 3.17Å; R132-N136 PolarHBondContact O-ND2 2.95Å
133F36.3Very low37.3Very low90 Ų9076 Ų7640%0.39542%0.424SS..Hα-helixtrans-67.3-48.5173.8176-103.7000112.3S129 Y130 I131 N136 N137S129-F133 PolarHBondContact O-N 3.06Å; Y130-F133 HydrophobicContact CD2-CB 4.47Å; Y130-F133 AromaticContact CD2-CD1 3.87Å; Y130-F133 HydrophobicContact CD2-CD1 3.87Å; Y130-F133 AromaticContact CE2-CD1 3.57Å; Y130-F133 HydrophobicContact CE2-CD1 3.57Å; Y130-F133 AromaticContact CE2-CE1 3.9Å; Y130-F133 HydrophobicContact CE2-CE1 3.9Å; Y130-F133 CarbonylContact O-C 3.56Å; Y130-F133 WeakPolarHBondContact O-CA 3.35Å; Y130-F133 VanDerWaalsContact O-CB 3.29Å; Y130-F133 WeakPolarHBondContact O-CB 3.34Å; Y130-F133 PolarHBondContact O-N 3.27Å; I131-F133 PolarHBondContact O-N 3.26Å; F133-N136 PolarHBondContact O-N 3.49Å; F133-N137 WeakPolarHBondContact CD1-ND2 3.12Å; F133-N137 WeakPolarHBondContact CD2-ND2 3.29Å; F133-N137 WeakPolarHBondContact CE1-ND2 3.09Å; F133-N137 VanDerWaalsContact CE2-ND2 3.34Å; F133-N137 WeakPolarHBondContact CE2-ND2 3.4Å; F133-N137 WeakPolarHBondContact CG-ND2 3.35Å; F133-N137 WeakPolarHBondContact CZ-ND2 3.17Å; F133-N137 WeakPolarHBondContact O-CB 3.46Å; F133-N137 PolarHBondContact O-N 3.1Å; F133-N137 PolarHBondContact O-ND2 2.93Å
134V38.1Very low37.4Very low48 Ų4878.4 Ų78.429%0.29142%0.419SS..Hα-helixtrans-64.9-42.1177.2175.40000111.7Y130 I131Y130-V134 HydrophobicContact CD1-CG2 3.82Å; Y130-V134 HydrophobicContact CE1-CG2 3.56Å; Y130-V134 WeakPolarHBondContact O-CG2 3.49Å; Y130-V134 PolarHBondContact O-N 2.68Å; I131-V134 PolarHBondContact O-N 2.8Å
135L36Very low37.3Very low16 Ų1676.5 Ų76.58%0.08440%0.402CS..Hα-helixtrans-70.7-30176.8-66.6177.5000112T52 K53 I131 Y196T52-L135 HydrophobicContact CG2-CD2 4.38Å; K53-L135 HydrophobicContact CD-CB 4.37Å; K53-L135 WeakPolarHBondContact CE-O 3.11Å; K53-L135 HydrophobicContact CG-CB 4.02Å; K53-L135 HydrophobicContact CG-CD1 3.91Å; K53-L135 HydrophobicContact CG-CD2 3.86Å; K53-L135 HydrophobicContact CG-CG 4.13Å; K53-L135 PolarHBondContact NZ-O 2.88Å; I131-L135 HydrophobicContact CG2-CD1 3.33Å; I131-L135 HydrophobicContact CG2-CG 3.77Å; I131-L135 WeakPolarHBondContact O-CB 3.36Å; I131-L135 WeakPolarHBondContact O-CG 3.45Å; I131-L135 PolarHBondContact O-N 3.1Å; L135-Y196 HydrophobicContact CD2-CE1 3.82Å; L135-Y196 WeakPolarHBondContact CD2-OH 2.99Å
136N36.4Very low36.7Very low88 Ų8870.5 Ų70.547%0.47138%0.38SS..Hα-helixtrans-92.9-7.5177.3-67.8-6.7000114.2R132 F133 E138 S139R132-N136 WeakPolarHBondContact CG-ND2 3.37Å; R132-N136 WeakPolarHBondContact O-CB 3.11Å; R132-N136 PolarHBondContact O-N 3.17Å; R132-N136 PolarHBondContact O-ND2 2.95Å; F133-N136 PolarHBondContact O-N 3.49Å; N136-E138 PolarHBondContact O-N 3.33Å; N136-S139 PolarHBondContact O-N 3.35Å
137N34.3Very low36.5Very low45 Ų4570.6 Ų70.624%0.24137%0.372CS..THydrogen-bonded Turntrans-74.90.8-174.9-101.4-45.9000115.2F133F133-N137 WeakPolarHBondContact CD1-ND2 3.12Å; F133-N137 WeakPolarHBondContact CD2-ND2 3.29Å; F133-N137 WeakPolarHBondContact CE1-ND2 3.09Å; F133-N137 VanDerWaalsContact CE2-ND2 3.34Å; F133-N137 WeakPolarHBondContact CE2-ND2 3.4Å; F133-N137 WeakPolarHBondContact CG-ND2 3.35Å; F133-N137 WeakPolarHBondContact CZ-ND2 3.17Å; F133-N137 WeakPolarHBondContact O-CB 3.46Å; F133-N137 PolarHBondContact O-N 3.1Å; F133-N137 PolarHBondContact O-ND2 2.93Å
138E38.9Very low35.9Very low75 Ų7576 Ų7635%0.3539%0.392SS..THydrogen-bonded Turntrans-102.7-0.3173.3-71.2-162.3-174.100114Q49 N136 K204Q49-E138 VanDerWaalsContact CD-OE2 3.26Å; Q49-E138 PolarHBondContact NE2-OE1 3.47Å; Q49-E138 PolarHBondContact NE2-OE2 2.93Å; Q49-E138 PolarHBondContact OE1-OE2 3.46Å; Q49-E138 VanDerWaalsContact OE1-OE2 3.06Å; N136-E138 PolarHBondContact O-N 3.33Å; E138-K204 WeakPolarHBondContact OE1-CD 3.41Å; E138-K204 IonicContact OE1-NZ 3.12Å; E138-K204 PolarHBondContact OE1-NZ 3.3Å; E138-K204 IonicContact OE2-NZ 3.86Å
139S35.1Very low35.5Very low30 Ų3076.2 Ų76.221%0.2139%0.393CS..SBendtrans-89.7-9175.1-51.30000113.2N136 Y274 Q278N136-S139 PolarHBondContact O-N 3.35Å; S139-Y274 WeakPolarHBondContact O-CE1 3.31Å; S139-Q278 PolarHBondContact O-NE2 3.31Å
140Q32.6Very low35.4Very low72 Ų7275.3 Ų75.334%0.33639%0.391SS..  trans-135.5103.5-176.9-63.9-155.2-000110.9T142 E277Q140-T142 HydrophobicContact CB-CG2 3.89Å; Q140-T142 PolarHBondContact O-N 2.86Å; Q140-E277 PolarHBondContact NE2-OE2 3.04Å
141G35.5Very low35.3Very low66 Ų6680.7 Ų80.768%0.6841%0.41SS*.  trans-61.867147.300000109
142T33.2Very low34.8Very low32 Ų3289 Ų8920%0.19645%0.446CS..  trans-108.8112.5168500000107.6Q140 R146Q140-T142 HydrophobicContact CB-CG2 3.89Å; Q140-T142 PolarHBondContact O-N 2.86Å; T142-R146 VanDerWaalsContact CG2-NH1 3.31Å
143S39.6Very low34.8Very low38 Ų3891.4 Ų91.427%0.26646%0.455SS..  trans-14.5134161.8161.60000114.8A145 R146 R233S143-A145 PolarHBondContact O-N 3.23Å; S143-A145 PolarHBondContact OG-N 2.95Å; S143-R146 PolarHBondContact O-N 3.18Å; S143-R233 VanDerWaalsContact CB-CZ 3.44Å; S143-R233 VanDerWaalsContact CB-NH2 3.32Å
144L34.1Very low34.8Very low127 Ų12792.3 Ų92.367%0.66547%0.468SS*.Hα-helixtrans-39.6-27.5169.8-79147000114.3R147 E148L144-R147 WeakPolarHBondContact O-CB 3.34Å; L144-R147 PolarHBondContact O-N 3.44Å; L144-E148 PolarHBondContact O-N 2.96Å
145A31.4Very low34.8Very low55 Ų5593.9 Ų93.946%0.45549%0.493SS..Hα-helixtrans-66.8-36.917800000114S143 R147 E148 E149S143-A145 PolarHBondContact O-N 3.23Å; S143-A145 PolarHBondContact OG-N 2.95Å; A145-R147 PolarHBondContact O-N 3.47Å; A145-E148 PolarHBondContact O-N 3.11Å; A145-E149 PolarHBondContact O-N 3.31Å
146R36.3Very low34.5Very low112 Ų11296.1 Ų96.142%0.42352%0.521SS..Hα-helixtrans-67.9-26.1173.8-87.1-168-174.2161.38.3112.2T142 S143 E148 A150T142-R146 VanDerWaalsContact CG2-NH1 3.31Å; S143-R146 PolarHBondContact O-N 3.18Å; R146-E148 VanDerWaalsContact C-N 3.35Å; R146-A150 WeakPolarHBondContact O-CB 3.27Å; R146-A150 PolarHBondContact O-N 2.89Å; R146-A150 VanDerWaalsContact O-N 3.11Å
147R38.3Very low34.1Very low116 Ų11694.5 Ų94.544%0.43853%0.525SS..Hα-helixtrans-70.2-29.8178.4-65.8177.6161.1165.1-4.5112.1L144 A145L144-R147 WeakPolarHBondContact O-CB 3.34Å; L144-R147 PolarHBondContact O-N 3.44Å; A145-R147 PolarHBondContact O-N 3.47Å
148E30.1Very low34.2Very low146 Ų14696.4 Ų96.468%0.68256%0.555SS**Hα-helixtrans-83.2-37.7174.4-87.4-173.5143.600113.5L144 A145 R146 R151 K152L144-E148 PolarHBondContact O-N 2.96Å; A145-E148 PolarHBondContact O-N 3.11Å; R146-E148 VanDerWaalsContact C-N 3.35Å; E148-R151 WeakPolarHBondContact O-CB 3.35Å; E148-R151 PolarHBondContact O-N 2.94Å; E148-K152 PolarHBondContact O-N 3.4Å
149E29.2Very low34.2Very low111 Ų11197.8 Ų97.852%0.51957%0.572SS.*Hα-helixtrans-73.5-35.4179.7-91.5-175.6123.800114A145 R151 K152A145-E149 PolarHBondContact O-N 3.31Å; E149-R151 PolarHBondContact O-N 2.91Å; E149-K152 PolarHBondContact O-N 3.44Å
150A32.7Very low34.6Very low65 Ų6598.2 Ų98.254%0.53758%0.581SS.*Hα-helixtrans-66.2-29.3174.200000112.2R146 K152 R153R146-A150 WeakPolarHBondContact O-CB 3.27Å; R146-A150 PolarHBondContact O-N 2.89Å; R146-A150 VanDerWaalsContact O-N 3.11Å; A150-K152 VanDerWaalsContact C-N 3.28Å; A150-K152 PolarHBondContact O-N 3.3Å; A150-R153 PolarHBondContact O-N 3.5Å
151R35.9Very low35.3Very low205 Ų20599.5 Ų99.577%0.77459%0.587SS**Hα-helixtrans-68.5-26.4175-155176.8-173.7-1791.3112.4E148 E149E148-R151 WeakPolarHBondContact O-CB 3.35Å; E148-R151 PolarHBondContact O-N 2.94Å; E149-R151 PolarHBondContact O-N 2.91Å
152K32.6Very low36.4Very low184 Ų18499.2 Ų99.280%0.858%0.578SS**Hα-helixtrans-84.5-17.9178.9-77.2-178.5177.9175.20114.6E148 E149 A150E148-K152 PolarHBondContact O-N 3.4Å; E149-K152 PolarHBondContact O-N 3.44Å; A150-K152 VanDerWaalsContact C-N 3.28Å; A150-K152 PolarHBondContact O-N 3.3Å
153R34.2Very low38Very low199 Ų19999.2 Ų99.275%0.75158%0.579SS**Hα-helixtrans-96.1-11.4-174.2-66.5-172.7-164.3-179.75.8115.7A150 G155A150-R153 PolarHBondContact O-N 3.5Å; R153-G155 PolarHBondContact O-N 3.07Å
154V37.3Very low39.5Very low109 Ų109100.3 Ų100.366%0.66158%0.579SS**  trans-97.469.4174.7-170.60000109.6
155G36.3Very low41.7Very low80 Ų8099.6 Ų99.683%0.82557%0.573SS**  trans-83.6114.116500000109.9R153R153-G155 PolarHBondContact O-N 3.07Å
156G29.7Very low44.2Very low64 Ų64100 Ų10066%0.6657%0.569SS**  trans163.6109169.900000114.3
157G29.4Very low46.6Very low54 Ų5494.9 Ų94.956%0.55755%0.55SS**  trans11483.7161.900000116.6C159G157-C159 PolarHBondContact O-N 3.26Å; G157-C159 VanDerWaalsContact O-N 3.13Å
158G36.5Very low48.9Very low84 Ų8491.3 Ų91.387%0.86654%0.54SS*.THydrogen-bonded Turntrans-79.229.9-166.300000119.7
159C37.9Very low51.5Low104 Ų10488.2 Ų88.270%0.70353%0.528SS*.THydrogen-bonded Turntrans-127.4-46.3172.2-1750000112.1G157 Q161G157-C159 PolarHBondContact O-N 3.26Å; G157-C159 VanDerWaalsContact O-N 3.13Å; C159-Q161 VanDerWaalsContact C-N 3.31Å; C159-Q161 PolarHBondContact O-N 3.35Å
160G43.9Very low54.4Low40 Ų4083.9 Ų83.941%0.41251%0.508SS..Hα-helixtrans-76.2-7178.500000116K164G160-K164 WeakPolarHBondContact O-CD 3.47Å; G160-K164 WeakPolarHBondContact O-CG 3.22Å
161Q47.8Very low57Low99 Ų9982.3 Ų82.346%0.46349%0.491SS..Hα-helixtrans-80.9-33.5175.4-85.1179.7-3100112.6C159 Q165C159-Q161 VanDerWaalsContact C-N 3.31Å; C159-Q161 PolarHBondContact O-N 3.35Å; Q161-Q165 PolarHBondContact O-N 3.33Å; Q161-Q165 VanDerWaalsContact O-N 3.15Å
162A57.5Low59.3Low60 Ų6083.3 Ų83.350%0.49649%0.494SS..Hα-helixtrans-69.1-48.3-17900000111.8K164 Q165 V166A162-K164 VanDerWaalsContact C-N 3.31Å; A162-K164 PolarHBondContact O-N 3.08Å; A162-Q165 WeakPolarHBondContact O-CB 3.34Å; A162-Q165 PolarHBondContact O-N 2.86Å; A162-Q165 VanDerWaalsContact O-N 3.07Å; A162-V166 WeakPolarHBondContact O-CG2 2.94Å; A162-V166 PolarHBondContact O-N 3.15Å
163S67.6Low62Low31 Ų3179.7 Ų79.722%0.21748%0.48CS..Hα-helixtrans-59.1-39.5177.3173.70000112.5Q165 V166 L167S163-Q165 PolarHBondContact O-N 2.98Å; S163-V166 PolarHBondContact O-N 2.7Å; S163-L167 WeakPolarHBondContact O-CB 3.46Å; S163-L167 PolarHBondContact O-N 3.17Å
164K71.7Confident64.7Low61 Ų6171 Ų7127%0.26545%0.45SS..Hα-helixtrans-65.5-37.1174.1-72174.8-174166.10113.5L126 G160 A162 N168L126-K164 VanDerWaalsContact O-CE 3.29Å; L126-K164 WeakPolarHBondContact O-CE 3.3Å; G160-K164 WeakPolarHBondContact O-CD 3.47Å; G160-K164 WeakPolarHBondContact O-CG 3.22Å; A162-K164 VanDerWaalsContact C-N 3.31Å; A162-K164 PolarHBondContact O-N 3.08Å; K164-N168 WeakPolarHBondContact O-CB 3.48Å; K164-N168 VanDerWaalsContact O-CG 3.28Å; K164-N168 PolarHBondContact O-N 2.88Å; K164-N168 PolarHBondContact O-ND2 3.36Å
165Q78.4Confident67.3Low113 Ų11369.9 Ų69.953%0.52845%0.447SS..Hα-helixtrans-69-41.7177.6-173.5168.5-2.200110.7Q161 A162 S163 N168 N169Q161-Q165 PolarHBondContact O-N 3.33Å; Q161-Q165 VanDerWaalsContact O-N 3.15Å; A162-Q165 WeakPolarHBondContact O-CB 3.34Å; A162-Q165 PolarHBondContact O-N 2.86Å; A162-Q165 VanDerWaalsContact O-N 3.07Å; S163-Q165 PolarHBondContact O-N 2.98Å; Q165-N168 PolarHBondContact O-N 2.94Å; Q165-N169 WeakPolarHBondContact O-CB 3.35Å; Q165-N169 PolarHBondContact O-N 3.43Å; Q165-N169 PolarHBondContact O-ND2 2.94Å; Q165-N169 PolarHBondContact O-OD1 3.28Å
166V85.9Confident69.9Low63 Ų6370 Ų7038%0.38243%0.428SS..Hα-helixtrans-60.7-49.9173.8174.90000111L108 A162 S163 N168 N169 M170L108-V166 HydrophobicContact CD1-CG1 4.36Å; L108-V166 HydrophobicContact CD2-CG1 4.28Å; A162-V166 WeakPolarHBondContact O-CG2 2.94Å; A162-V166 PolarHBondContact O-N 3.15Å; S163-V166 PolarHBondContact O-N 2.7Å; V166-N168 PolarHBondContact O-N 3.05Å; V166-N169 PolarHBondContact O-N 3.44Å; V166-N169 VanDerWaalsContact O-N 3.16Å; V166-M170 HydrophobicContact CG1-CE 3.78Å; V166-M170 HydrophobicContact CG1-SD 4.14Å; V166-M170 WeakPolarHBondContact O-CG 3.47Å; V166-M170 PolarHBondContact O-N 2.88Å
167L86.7Confident72.9Confident4 Ų467.1 Ų67.12%0.02140%0.397CS..Hα-helixtrans-54-49.7176172.963.3000112R101 V104 D105 L108 S163 N169 M170 L171R101-L167 HydrophobicContact CG-CD2 4.42Å; V104-L167 HydrophobicContact CB-CD1 3.79Å; V104-L167 HydrophobicContact CG1-CD1 3.48Å; V104-L167 VanDerWaalsContact CG1-CD1 3.48Å; D105-L167 HydrophobicContact CB-CD1 4.26Å; D105-L167 HydrophobicContact CB-CD2 4.03Å; L108-L167 HydrophobicContact CD1-CB 3.95Å; L108-L167 HydrophobicContact CD1-CD1 4.32Å; S163-L167 WeakPolarHBondContact O-CB 3.46Å; S163-L167 PolarHBondContact O-N 3.17Å; L167-N169 VanDerWaalsContact C-N 3.31Å; L167-N169 PolarHBondContact O-N 3.48Å; L167-M170 PolarHBondContact O-N 2.93Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CG 4.17Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 WeakPolarHBondContact O-CG 3.32Å; L167-L171 PolarHBondContact O-N 3.22Å
168N84.8Confident75.8Confident42 Ų4269.6 Ų69.623%0.22540%0.403CS..Hα-helixtrans-66.4-34.7-178.8-73.8-25.4000112.2R101 K164 Q165 V166 R172R101-N168 PolarHBondContact NH1-OD1 3.41Å; R101-N168 PolarHBondContact NH2-OD1 2.9Å; K164-N168 WeakPolarHBondContact O-CB 3.48Å; K164-N168 VanDerWaalsContact O-CG 3.28Å; K164-N168 PolarHBondContact O-N 2.88Å; K164-N168 PolarHBondContact O-ND2 3.36Å; Q165-N168 PolarHBondContact O-N 2.94Å; V166-N168 PolarHBondContact O-N 3.05Å; N168-R172 WeakPolarHBondContact O-CB 3.42Å; N168-R172 PolarHBondContact O-N 3.41Å; N168-R172 VanDerWaalsContact O-N 3.08Å
169N86Confident78.4Confident80 Ų8068.2 Ų68.243%0.42838%0.376SS..Hα-helixtrans-66.2-45.2174.4-70-10.7000111Q165 V166 L167 L171 R172 E173 L176Q165-N169 WeakPolarHBondContact O-CB 3.35Å; Q165-N169 PolarHBondContact O-N 3.43Å; Q165-N169 PolarHBondContact O-ND2 2.94Å; Q165-N169 PolarHBondContact O-OD1 3.28Å; V166-N169 PolarHBondContact O-N 3.44Å; V166-N169 VanDerWaalsContact O-N 3.16Å; L167-N169 VanDerWaalsContact C-N 3.31Å; L167-N169 PolarHBondContact O-N 3.48Å; N169-L171 PolarHBondContact O-N 2.81Å; N169-R172 PolarHBondContact O-N 3.34Å; N169-R172 VanDerWaalsContact O-N 3.14Å; N169-E173 PolarHBondContact O-N 3.08Å; N169-L176 HydrophobicContact CB-CD1 4.16Å
170M88.9Confident81Confident20 Ų2068.8 Ų68.810%0.09937%0.369CS..Hα-helixtrans-63.2-36.4176.6-74.2-179.6175.900113.2V104 L108 V166 L167 R172 E173 P174 L176 I177V104-M170 HydrophobicContact CG1-CB 4.29Å; V104-M170 HydrophobicContact CG1-SD 4.28Å; L108-M170 HydrophobicContact CD1-SD 4.29Å; L108-M170 HydrophobicContact CD2-CE 3.95Å; L108-M170 HydrophobicContact CD2-SD 3.86Å; L108-M170 HydrophobicContact CG-SD 4.36Å; V166-M170 HydrophobicContact CG1-CE 3.78Å; V166-M170 HydrophobicContact CG1-SD 4.14Å; V166-M170 WeakPolarHBondContact O-CG 3.47Å; V166-M170 PolarHBondContact O-N 2.88Å; L167-M170 PolarHBondContact O-N 2.93Å; M170-R172 VanDerWaalsContact C-N 3.33Å; M170-E173 CarbonylContact O-C 3.5Å; M170-P174 VanDerWaalsContact O-CA 3.23Å; M170-P174 WeakPolarHBondContact O-CA 3.45Å; M170-L176 HydrophobicContact CG-CB 4.09Å; M170-I177 HydrophobicContact CB-CD1 4.34Å; M170-I177 HydrophobicContact CB-CG1 3.78Å; M170-I177 HydrophobicContact CG-CG1 3.97Å; M170-I177 HydrophobicContact SD-CG1 4.06Å
171L87.5Confident83.3Confident33 Ų3368.5 Ų68.517%0.17336%0.363CS..Hα-helixtrans-71.5-29.4174.7-68.2169.5000112.6A100 R101 V104 L167 N169 V186A100-L171 HydrophobicContact CB-CD2 4.46Å; R101-L171 HydrophobicContact CB-CD1 3.82Å; R101-L171 HydrophobicContact CB-CD2 4.38Å; R101-L171 HydrophobicContact CG-CD1 3.8Å; V104-L171 HydrophobicContact CB-CD2 4.4Å; V104-L171 HydrophobicContact CG2-CD2 4.15Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CG 4.17Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 WeakPolarHBondContact O-CG 3.32Å; L167-L171 PolarHBondContact O-N 3.22Å; N169-L171 PolarHBondContact O-N 2.81Å; L171-V186 HydrophobicContact CD2-CG1 4.15Å
172R85.3Confident85.4Confident226 Ų22663.8 Ų63.885%0.85334%0.34SS*.Hα-helixtrans-77.8-37.5176.2-166.6179-158.9-172.53.9111.9N168 N169 M170N168-R172 WeakPolarHBondContact O-CB 3.42Å; N168-R172 PolarHBondContact O-N 3.41Å; N168-R172 VanDerWaalsContact O-N 3.08Å; N169-R172 PolarHBondContact O-N 3.34Å; N169-R172 VanDerWaalsContact O-N 3.14Å; M170-R172 VanDerWaalsContact C-N 3.33Å
173E88.4Confident87.2Confident107 Ų10761.1 Ų61.150%0.532%0.318SS..  trans-130.986.4-178.8-173.6170.3-148.100109N169 M170 S175 L176N169-E173 PolarHBondContact O-N 3.08Å; M170-E173 CarbonylContact O-C 3.5Å; E173-S175 VanDerWaalsContact CG-OG 3.22Å; E173-S175 WeakPolarHBondContact CG-OG 3.46Å; E173-S175 PolarHBondContact O-N 3.21Å; E173-S175 VanDerWaalsContact O-N 3.11Å; E173-L176 HydrophobicContact CB-CD1 3.98Å; E173-L176 HydrophobicContact CB-CG 4.1Å; E173-L176 HydrophobicContact CG-CD1 4.3Å; E173-L176 HydrophobicContact CG-CG 3.96Å; E173-L176 WeakPolarHBondContact O-CB 3.25Å; E173-L176 WeakPolarHBondContact O-CG 3.32Å; E173-L176 PolarHBondContact O-N 2.95Å
174P91.2Very high88.3Confident17 Ų1763.7 Ų63.711%0.1133%0.33CS..G310 helixtrans-60.1-21.6-175.7-27.436.6000114.6M170 L176 I177 A183 V186M170-P174 VanDerWaalsContact O-CA 3.23Å; M170-P174 WeakPolarHBondContact O-CA 3.45Å; P174-L176 PolarHBondContact O-N 3.47Å; P174-I177 HydrophobicContact CB-CD1 4.5Å; P174-I177 WeakPolarHBondContact O-CB 3.47Å; P174-I177 WeakPolarHBondContact O-CG1 2.98Å; P174-I177 PolarHBondContact O-N 3.09Å; P174-A183 WeakPolarHBondContact CB-O 3.17Å; P174-A183 WeakPolarHBondContact O-CB 3.46Å; P174-V186 HydrophobicContact CB-CB 4.39Å; P174-V186 HydrophobicContact CB-CG1 4.14Å; P174-V186 HydrophobicContact CG-CG1 3.97Å
175S91.7Very high89.4Confident86 Ų8661.3 Ų61.360%0.60132%0.319SS*.G310 helixtrans-63.4-15.5174.149.60000113.7E173 I177E173-S175 VanDerWaalsContact CG-OG 3.22Å; E173-S175 WeakPolarHBondContact CG-OG 3.46Å; E173-S175 PolarHBondContact O-N 3.21Å; E173-S175 VanDerWaalsContact O-N 3.11Å; S175-I177 VanDerWaalsContact C-N 3.25Å; S175-I177 PolarHBondContact O-N 3.47Å
176L91.8Very high90.1Very high82 Ų8255.9 Ų55.943%0.42929%0.294SS..G310 helixtrans-76.5-11.2173-61177.8000113.1N169 M170 E173 P174 P178N169-L176 HydrophobicContact CB-CD1 4.16Å; M170-L176 HydrophobicContact CG-CB 4.09Å; E173-L176 HydrophobicContact CB-CD1 3.98Å; E173-L176 HydrophobicContact CB-CG 4.1Å; E173-L176 HydrophobicContact CG-CD1 4.3Å; E173-L176 HydrophobicContact CG-CG 3.96Å; E173-L176 WeakPolarHBondContact O-CB 3.25Å; E173-L176 WeakPolarHBondContact O-CG 3.32Å; E173-L176 PolarHBondContact O-N 2.95Å; P174-L176 PolarHBondContact O-N 3.47Å; L176-P178 WeakPolarHBondContact O-CD 3.39Å
177I92.4Very high90.4Very high4 Ų458.9 Ų58.92%0.02130%0.299CS..SBendtrans-77.6122.2178-60.9170.3000108.5V104 F107 M170 P174 S175 D179 L182 A183 V186V104-I177 HydrophobicContact CG2-CD1 3.93Å; F107-I177 HydrophobicContact CE1-CG2 4.36Å; M170-I177 HydrophobicContact CB-CD1 4.34Å; M170-I177 HydrophobicContact CB-CG1 3.78Å; M170-I177 HydrophobicContact CG-CG1 3.97Å; M170-I177 HydrophobicContact SD-CG1 4.06Å; P174-I177 HydrophobicContact CB-CD1 4.5Å; P174-I177 WeakPolarHBondContact O-CB 3.47Å; P174-I177 WeakPolarHBondContact O-CG1 2.98Å; P174-I177 PolarHBondContact O-N 3.09Å; S175-I177 VanDerWaalsContact C-N 3.25Å; S175-I177 PolarHBondContact O-N 3.47Å; I177-D179 VanDerWaalsContact C-N 3.28Å; I177-D179 HydrophobicContact CG2-CB 4.4Å; I177-D179 PolarHBondContact O-N 3.11Å; I177-L182 HydrophobicContact CG2-CB 4.09Å; I177-L182 HydrophobicContact CG2-CD2 3.9Å; I177-L182 HydrophobicContact CG2-CG 3.99Å; I177-A183 HydrophobicContact CB-CB 4.09Å; I177-V186 HydrophobicContact CD1-CB 4.13Å; I177-V186 HydrophobicContact CD1-CG1 4.22Å; I177-V186 HydrophobicContact CD1-CG2 3.87Å
178P90.1Very high90.6Very high105 Ų10562.2 Ų62.268%0.68232%0.315SS*.SBendtrans-61.9-33.1-177.6-25.134.5000114.3L176 Q180L176-P178 WeakPolarHBondContact O-CD 3.39Å; P178-Q180 PolarHBondContact O-N 2.72Å
179D91.9Very high90.9Very high55 Ų5560.2 Ų60.229%0.29430%0.304SS..  trans-79107.1173.2177.6-12.1000109.7F107 I177 A181 L182 A183F107-D179 HydrophobicContact CE2-CB 4.01Å; F107-D179 HydrophobicContact CZ-CB 4.07Å; I177-D179 VanDerWaalsContact C-N 3.28Å; I177-D179 HydrophobicContact CG2-CB 4.4Å; I177-D179 PolarHBondContact O-N 3.11Å; D179-A181 VanDerWaalsContact C-N 3.29Å; D179-A181 PolarHBondContact O-N 3.16Å; D179-A181 WeakPolarHBondContact OD1-CA 3.3Å; D179-A181 WeakPolarHBondContact OD1-CB 3.16Å; D179-A181 PolarHBondContact OD1-N 2.95Å; D179-L182 HydrophobicContact CB-CB 3.85Å; D179-L182 PolarHBondContact O-N 3.26Å; D179-L182 PolarHBondContact OD1-N 3.28Å; D179-L182 VanDerWaalsContact OD1-N 3.08Å; D179-A183 WeakPolarHBondContact O-CB 3.25Å; D179-A183 PolarHBondContact O-N 3.31Å
180Q90.9Very high90.9Very high117 Ų11757.8 Ų57.855%0.54729%0.292SS..Hα-helixtrans-63.2-32.2-178.8-169.762.552.100113.3P178 N184P178-Q180 PolarHBondContact O-N 2.72Å; Q180-N184 PolarHBondContact NE2-OD1 3.17Å; Q180-N184 VanDerWaalsContact NE2-OD1 3.14Å; Q180-N184 WeakPolarHBondContact O-CB 3.32Å; Q180-N184 PolarHBondContact O-N 3.46Å; Q180-N184 PolarHBondContact O-ND2 3.07Å
181A91.9Very high90.8Very high34 Ų3459.7 Ų59.728%0.28130%0.302SS..Hα-helixtrans-69.3-43.4176.700000110D179 N184 H185D179-A181 VanDerWaalsContact C-N 3.29Å; D179-A181 PolarHBondContact O-N 3.16Å; D179-A181 WeakPolarHBondContact OD1-CA 3.3Å; D179-A181 WeakPolarHBondContact OD1-CB 3.16Å; D179-A181 PolarHBondContact OD1-N 2.95Å; A181-N184 PolarHBondContact O-N 3.13Å; A181-H185 PolarHBondContact O-N 3.48Å; A181-H185 PolarHBondContact O-ND1 2.97Å
182L93.6Very high90.7Very high0 Ų061.5 Ų61.50%031%0.312CS..Hα-helixtrans-63.1-44.2173.7-177.958000111.9Y72 L85 I103 F107 I177 D179 N184 H185 V186Y72-L182 HydrophobicContact CE1-CD1 3.97Å; Y72-L182 HydrophobicContact CE2-CD1 4.36Å; Y72-L182 WeakPolarHBondContact OH-CA 3.34Å; Y72-L182 WeakPolarHBondContact OH-CB 3.38Å; Y72-L182 PolarHBondContact OH-N 3.2Å; L85-L182 HydrophobicContact CD1-CD1 3.96Å; I103-L182 HydrophobicContact CG2-CD1 3.73Å; F107-L182 HydrophobicContact CB-CD2 3.89Å; F107-L182 HydrophobicContact CD1-CD2 3.98Å; F107-L182 HydrophobicContact CD2-CD2 3.75Å; F107-L182 HydrophobicContact CE1-CD2 4.48Å; F107-L182 HydrophobicContact CE2-CD2 4.26Å; F107-L182 HydrophobicContact CG-CD2 3.59Å; I177-L182 HydrophobicContact CG2-CB 4.09Å; I177-L182 HydrophobicContact CG2-CD2 3.9Å; I177-L182 HydrophobicContact CG2-CG 3.99Å; D179-L182 HydrophobicContact CB-CB 3.85Å; D179-L182 PolarHBondContact O-N 3.26Å; D179-L182 PolarHBondContact OD1-N 3.28Å; D179-L182 VanDerWaalsContact OD1-N 3.08Å; L182-N184 VanDerWaalsContact C-N 3.31Å; L182-N184 PolarHBondContact O-N 3.39Å; L182-H185 PolarHBondContact O-N 2.8Å; L182-V186 HydrophobicContact CD1-CG2 3.94Å; L182-V186 HydrophobicContact CG-CG2 4.24Å; L182-V186 WeakPolarHBondContact O-CB 3.48Å; L182-V186 VanDerWaalsContact O-CG2 3.23Å; L182-V186 WeakPolarHBondContact O-CG2 3.34Å; L182-V186 PolarHBondContact O-N 3.13Å
183A93.4Very high90.7Very high3 Ų351 Ų513%0.02527%0.273CS..Hα-helixtrans-53.2-48.6174.500000111.8P174 I177 D179 V186 Y187P174-A183 WeakPolarHBondContact CB-O 3.17Å; P174-A183 WeakPolarHBondContact O-CB 3.46Å; I177-A183 HydrophobicContact CB-CB 4.09Å; D179-A183 WeakPolarHBondContact O-CB 3.25Å; D179-A183 PolarHBondContact O-N 3.31Å; A183-V186 PolarHBondContact O-N 2.93Å; A183-Y187 WeakPolarHBondContact O-CB 3.49Å; A183-Y187 PolarHBondContact O-N 3.18Å
184N92.5Very high90.2Very high86 Ų8648.3 Ų48.346%0.4627%0.265SS..Hα-helixtrans-64.3-43.1179.2-70.4-14.8000111.9Q180 A181 L182 Y187 Q188Q180-N184 PolarHBondContact NE2-OD1 3.17Å; Q180-N184 VanDerWaalsContact NE2-OD1 3.14Å; Q180-N184 WeakPolarHBondContact O-CB 3.32Å; Q180-N184 PolarHBondContact O-N 3.46Å; Q180-N184 PolarHBondContact O-ND2 3.07Å; A181-N184 PolarHBondContact O-N 3.13Å; L182-N184 VanDerWaalsContact C-N 3.31Å; L182-N184 PolarHBondContact O-N 3.39Å; N184-Y187 PolarHBondContact O-N 2.93Å; N184-Q188 WeakPolarHBondContact O-CG 3.45Å; N184-Q188 PolarHBondContact O-N 3.28Å
185H93.7Very high89.4Confident10 Ų1047.6 Ų47.65%0.04626%0.26CS..Hα-helixtrans-67-39.5177.8-67.4147000112.8Y72 F82 L85 A181 L182 Y187 Q188 C189Y72-H185 HydrophobicContact CE2-CB 4.49Å; Y72-H185 AromaticContact CE2-ND1 3.41Å; Y72-H185 WeakPolarHBondContact CE2-ND1 3.44Å; Y72-H185 AromaticContact CZ-ND1 3.84Å; Y72-H185 PolarHBondContact OH-ND1 3.1Å; F82-H185 PolarHBondContact O-NE2 3.4Å; L85-H185 HydrophobicContact CB-CB 4.25Å; L85-H185 HydrophobicContact CD1-CB 3.67Å; L85-H185 HydrophobicContact CG-CB 3.81Å; A181-H185 PolarHBondContact O-N 3.48Å; A181-H185 PolarHBondContact O-ND1 2.97Å; L182-H185 PolarHBondContact O-N 2.8Å; H185-Y187 VanDerWaalsContact C-N 3.33Å; H185-Q188 PolarHBondContact O-N 3.15Å; H185-C189 PolarHBondContact O-N 3.44Å; H185-C189 PolarHBondContact O-SG 3.32Å
186V93.1Very high88.5Confident0 Ų044.6 Ų44.60%024%0.236CC..Hα-helixtrans-62.9-42174.5171.10000110.6L85 A100 V104 L171 P174 I177 L182 A183 C189 T190L85-V186 HydrophobicContact CD1-CG2 4.15Å; A100-V186 HydrophobicContact CB-CB 4.48Å; A100-V186 HydrophobicContact CB-CG1 4.27Å; A100-V186 HydrophobicContact CB-CG2 4.17Å; V104-V186 HydrophobicContact CG2-CG2 3.52Å; L171-V186 HydrophobicContact CD2-CG1 4.15Å; P174-V186 HydrophobicContact CB-CB 4.39Å; P174-V186 HydrophobicContact CB-CG1 4.14Å; P174-V186 HydrophobicContact CG-CG1 3.97Å; I177-V186 HydrophobicContact CD1-CB 4.13Å; I177-V186 HydrophobicContact CD1-CG1 4.22Å; I177-V186 HydrophobicContact CD1-CG2 3.87Å; L182-V186 HydrophobicContact CD1-CG2 3.94Å; L182-V186 HydrophobicContact CG-CG2 4.24Å; L182-V186 WeakPolarHBondContact O-CB 3.48Å; L182-V186 VanDerWaalsContact O-CG2 3.23Å; L182-V186 WeakPolarHBondContact O-CG2 3.34Å; L182-V186 PolarHBondContact O-N 3.13Å; A183-V186 PolarHBondContact O-N 2.93Å; V186-C189 PolarHBondContact O-N 2.94Å; V186-T190 PolarHBondContact O-N 2.69Å; V186-T190 PolarHBondContact O-OG1 3.42Å
187Y91.7Very high87.8Confident125 Ų12540.7 Ų40.749%0.4922%0.216SC..Hα-helixtrans-60.3-46.6173.6179.2-102.7000111.7A183 N184 H185 C189 T190 I191A183-Y187 WeakPolarHBondContact O-CB 3.49Å; A183-Y187 PolarHBondContact O-N 3.18Å; N184-Y187 PolarHBondContact O-N 2.93Å; H185-Y187 VanDerWaalsContact C-N 3.33Å; Y187-C189 PolarHBondContact O-N 3.19Å; Y187-T190 WeakPolarHBondContact O-CB 3.44Å; Y187-T190 PolarHBondContact O-N 3Å; Y187-T190 VanDerWaalsContact O-N 3.11Å; Y187-I191 HydrophobicContact CD1-CD1 4.39Å; Y187-I191 HydrophobicContact CD2-CG2 4.39Å; Y187-I191 HydrophobicContact CE1-CD1 3.99Å; Y187-I191 HydrophobicContact CE1-CG2 4.09Å; Y187-I191 HydrophobicContact CE2-CG2 3.92Å; Y187-I191 PolarHBondContact O-N 3.38Å
188Q91Very high87.1Confident74 Ų7444 Ų4435%0.34624%0.238SC..Hα-helixtrans-59.4-42.7175.9-72.4-63.4-28.900112.5N184 H185 T190 I191 N192N184-Q188 WeakPolarHBondContact O-CG 3.45Å; N184-Q188 PolarHBondContact O-N 3.28Å; H185-Q188 PolarHBondContact O-N 3.15Å; Q188-T190 VanDerWaalsContact C-N 3.33Å; Q188-T190 PolarHBondContact O-N 2.92Å; Q188-I191 WeakPolarHBondContact O-CG1 3.43Å; Q188-N192 VanDerWaalsContact O-CB 3.31Å; Q188-N192 WeakPolarHBondContact O-CB 3.47Å; Q188-N192 PolarHBondContact O-N 3.23Å; Q188-N192 VanDerWaalsContact O-N 3.12Å; Q188-N192 PolarHBondContact O-ND2 3.38Å; Q188-N192 PolarHBondContact OE1-ND2 3.48Å
189C90.9Very high86.7Confident0 Ų044.2 Ų44.20%023%0.233CC..Hα-helixtrans-60.1-43.8173.6-76.70000111.8L85 P96 A100 H185 V186 Y187 N192 D193L85-C189 WeakPolarHBondContact CB-SG 3.45Å; P96-C189 HydrophobicContact CB-CB 3.79Å; P96-C189 WeakPolarHBondContact O-CB 3.5Å; A100-C189 HydrophobicContact CB-CB 3.92Å; H185-C189 PolarHBondContact O-N 3.44Å; H185-C189 PolarHBondContact O-SG 3.32Å; V186-C189 PolarHBondContact O-N 2.94Å; Y187-C189 PolarHBondContact O-N 3.19Å; C189-N192 PolarHBondContact O-N 3Å; C189-D193 WeakPolarHBondContact O-CB 3.29Å; C189-D193 PolarHBondContact O-N 3.46Å
190T87.2Confident86.2Confident30 Ų3042.7 Ų42.718%0.18423%0.225CC..Hα-helixtrans-63.7-44-177.5-57.10000112.2V186 Y187 Q188 P198V186-T190 PolarHBondContact O-N 2.69Å; V186-T190 PolarHBondContact O-OG1 3.42Å; Y187-T190 WeakPolarHBondContact O-CB 3.44Å; Y187-T190 PolarHBondContact O-N 3Å; Y187-T190 VanDerWaalsContact O-N 3.11Å; Q188-T190 VanDerWaalsContact C-N 3.33Å; Q188-T190 PolarHBondContact O-N 2.92Å; T190-P198 HydrophobicContact CG2-CG 3.94Å
191I86.4Confident85.7Confident59 Ų5940.7 Ų40.730%0.30322%0.218SC..Hα-helixtrans-76.8-25.9-178.767.5176.7000113.3Y187 Q188Y187-I191 HydrophobicContact CD1-CD1 4.39Å; Y187-I191 HydrophobicContact CD2-CG2 4.39Å; Y187-I191 HydrophobicContact CE1-CD1 3.99Å; Y187-I191 HydrophobicContact CE1-CG2 4.09Å; Y187-I191 HydrophobicContact CE2-CG2 3.92Å; Y187-I191 PolarHBondContact O-N 3.38Å; Q188-I191 WeakPolarHBondContact O-CG1 3.43Å
192N85.8Confident85.4Confident71 Ų7143.2 Ų43.238%0.3823%0.233SC..Hα-helixtrans-96.5-6.9-178.4-70.7-69.2000113.5L86 Q188 C189 C194L86-N192 HydrophobicContact CD1-CB 3.95Å; L86-N192 HydrophobicContact CD2-CB 4.16Å; Q188-N192 VanDerWaalsContact O-CB 3.31Å; Q188-N192 WeakPolarHBondContact O-CB 3.47Å; Q188-N192 PolarHBondContact O-N 3.23Å; Q188-N192 VanDerWaalsContact O-N 3.12Å; Q188-N192 PolarHBondContact O-ND2 3.38Å; Q188-N192 PolarHBondContact OE1-ND2 3.48Å; C189-N192 PolarHBondContact O-N 3Å; N192-C194 PolarHBondContact O-N 2.92Å; N192-C194 VanDerWaalsContact O-N 3.16Å
193D84.4Confident85.1Confident7 Ų748 Ų484%0.03726%0.257CS..  trans-70.9109.2175.3-164-41.2000110.6S95 P96 A97 C189 C195 Y196 G197 V200S95-D193 VanDerWaalsContact CB-OD2 3.24Å; S95-D193 WeakPolarHBondContact CB-OD2 3.27Å; S95-D193 PolarHBondContact OG-OD2 2.66Å; P96-D193 HydrophobicContact CB-CB 4.29Å; P96-D193 WeakPolarHBondContact CD-OD2 3.4Å; P96-D193 HydrophobicContact CG-CB 4.44Å; A97-D193 HydrophobicContact CB-CB 4.23Å; A97-D193 WeakPolarHBondContact CB-OD2 3.34Å; A97-D193 PolarHBondContact N-OD2 2.91Å; C189-D193 WeakPolarHBondContact O-CB 3.29Å; C189-D193 PolarHBondContact O-N 3.46Å; D193-C195 VanDerWaalsContact C-N 3.34Å; D193-C195 PolarHBondContact OD1-N 3.41Å; D193-Y196 PolarHBondContact OD1-N 3.08Å; D193-G197 PolarHBondContact OD1-N 2.9Å; D193-V200 WeakPolarHBondContact O-CG2 3.36Å
194C78.6Confident84.7Confident49 Ų4950.4 Ų50.433%0.33127%0.267SS..SBendtrans-894.9-178.275.70000114.3P20 N192 V200P20-C194 WeakPolarHBondContact CB-SG 3.34Å; P20-C194 PolarHBondContact O-SG 2.98Å; N192-C194 PolarHBondContact O-N 2.92Å; N192-C194 VanDerWaalsContact O-N 3.16Å; C194-V200 WeakPolarHBondContact O-CG2 3.39Å
195C74.9Confident84.4Confident2 Ų252 Ų521%0.01427%0.272CS..SBendtrans-129.9-39.2-174.3-68.60000115Y48 D193Y48-C195 HydrophobicContact CD1-CB 3.31Å; Y48-C195 WeakPolarHBondContact CD1-SG 3.22Å; Y48-C195 HydrophobicContact CE1-CB 3.23Å; Y48-C195 VanDerWaalsContact CE1-SG 3.52Å; Y48-C195 HydrophobicContact CG-CB 4.3Å; D193-C195 VanDerWaalsContact C-N 3.34Å; D193-C195 PolarHBondContact OD1-N 3.41Å
196Y72.9Confident84.2Confident23 Ų2353.6 Ų53.69%0.0929%0.287CS..SBendtrans-126.16.9-174.9-71.2-79.9000113.2Y48 Q49 T52 L98 L135 D193Y48-Y196 HydrophobicContact CD1-CD2 4.28Å; Y48-Y196 AromaticContact CD1-CE2 3.79Å; Y48-Y196 HydrophobicContact CD1-CE2 3.79Å; Y48-Y196 AromaticContact CE1-CD2 3.72Å; Y48-Y196 HydrophobicContact CE1-CD2 3.72Å; Y48-Y196 AromaticContact CE1-CE2 3.51Å; Y48-Y196 HydrophobicContact CE1-CE2 3.51Å; Q49-Y196 WeakPolarHBondContact CA-OH 3.35Å; Q49-Y196 WeakPolarHBondContact CB-OH 3.41Å; Q49-Y196 HydrophobicContact CG-CE1 4.12Å; Q49-Y196 HydrophobicContact CG-CE2 4.37Å; Q49-Y196 WeakPolarHBondContact CG-OH 3.49Å; Q49-Y196 PolarHBondContact O-OH 2.83Å; T52-Y196 WeakPolarHBondContact CB-OH 3.37Å; T52-Y196 HydrophobicContact CG2-CE2 3.8Å; L98-Y196 HydrophobicContact CD1-CD2 4.23Å; L98-Y196 HydrophobicContact CD1-CE2 4.29Å; L98-Y196 HydrophobicContact CD1-CG 4.49Å; L135-Y196 HydrophobicContact CD2-CE1 3.82Å; L135-Y196 WeakPolarHBondContact CD2-OH 2.99Å; D193-Y196 PolarHBondContact OD1-N 3.08Å
197G76.2Confident84Confident0 Ų056.4 Ų56.40%030%0.301CS..SBendtrans-74.1153.8175.900000112.2D193 L199 V200 D201D193-G197 PolarHBondContact OD1-N 2.9Å; G197-L199 PolarHBondContact O-N 3.18Å; G197-L199 VanDerWaalsContact O-N 3.12Å; G197-V200 WeakPolarHBondContact O-CB 3.43Å; G197-V200 PolarHBondContact O-N 3.39Å; G197-D201 PolarHBondContact O-N 2.91Å; G197-D201 VanDerWaalsContact O-N 3.15Å
198P78.6Confident84Confident74 Ų7451.3 Ų51.348%0.48129%0.286SS..Hα-helixtrans-54.4-33.5177.5-25.833.7000113.9T190 V200 D201 C202T190-P198 HydrophobicContact CG2-CG 3.94Å; P198-V200 VanDerWaalsContact C-N 3.35Å; P198-D201 PolarHBondContact O-N 3.26Å; P198-C202 PolarHBondContact O-N 2.86Å; P198-C202 PolarHBondContact O-SG 3.17Å
199L81Confident84Confident110 Ų11051.5 Ų51.558%0.57629%0.287SS*.Hα-helixtrans-63.6-41176.7-65.8175.6000111.9G197 C202 I203G197-L199 PolarHBondContact O-N 3.18Å; G197-L199 VanDerWaalsContact O-N 3.12Å; L199-C202 PolarHBondContact O-N 3.23Å; L199-I203 WeakPolarHBondContact O-CD1 3.43Å; L199-I203 VanDerWaalsContact O-CG1 3.24Å; L199-I203 WeakPolarHBondContact O-CG1 3.4Å; L199-I203 PolarHBondContact O-N 3.3Å
200V81Confident84.2Confident22 Ų2257.8 Ų57.813%0.13332%0.317CS..Hα-helixtrans-69.9-40.3-179.5179.60000110.1D193 C194 G197 P198 I203 K204D193-V200 WeakPolarHBondContact O-CG2 3.36Å; C194-V200 WeakPolarHBondContact O-CG2 3.39Å; G197-V200 WeakPolarHBondContact O-CB 3.43Å; G197-V200 PolarHBondContact O-N 3.39Å; P198-V200 VanDerWaalsContact C-N 3.35Å; V200-I203 PolarHBondContact O-N 2.97Å; V200-K204 HydrophobicContact CG1-CD 4.23Å; V200-K204 WeakPolarHBondContact O-CG 3.42Å; V200-K204 PolarHBondContact O-N 2.96Å
201D81.8Confident84.5Confident76 Ų7656.8 Ų56.841%0.40631%0.311SS..Hα-helixtrans-61.1-44.1174.2-70.5-8.8000111.3G197 P198 I203 K204 H205G197-D201 PolarHBondContact O-N 2.91Å; G197-D201 VanDerWaalsContact O-N 3.15Å; P198-D201 PolarHBondContact O-N 3.26Å; D201-I203 PolarHBondContact O-N 3.21Å; D201-K204 PolarHBondContact O-N 2.95Å; D201-H205 WeakPolarHBondContact O-CB 3.45Å; D201-H205 PolarHBondContact O-N 2.97Å
202C85.5Confident84.9Confident87 Ų8756.5 Ų56.559%0.58831%0.308SS*.Hα-helixtrans-60.5-44.2174.2-72.80000112P198 L199 H205 A206P198-C202 PolarHBondContact O-N 2.86Å; P198-C202 PolarHBondContact O-SG 3.17Å; L199-C202 PolarHBondContact O-N 3.23Å; C202-H205 PolarHBondContact O-N 3.49Å; C202-A206 WeakPolarHBondContact O-CB 3.47Å; C202-A206 PolarHBondContact O-N 3.44Å
203I86.1Confident85.4Confident101 Ų10155.9 Ų55.952%0.51831%0.307SS..Hα-helixtrans-61.7-48.1177.5-71163.1000110.5L199 V200 D201 H205 A206 I207L199-I203 WeakPolarHBondContact O-CD1 3.43Å; L199-I203 VanDerWaalsContact O-CG1 3.24Å; L199-I203 WeakPolarHBondContact O-CG1 3.4Å; L199-I203 PolarHBondContact O-N 3.3Å; V200-I203 PolarHBondContact O-N 2.97Å; D201-I203 PolarHBondContact O-N 3.21Å; I203-H205 VanDerWaalsContact C-N 3.32Å; I203-H205 PolarHBondContact O-N 3.34Å; I203-A206 PolarHBondContact O-N 3.43Å; I203-I207 HydrophobicContact CG2-CD1 3.61Å; I203-I207 HydrophobicContact CG2-CG1 4.38Å; I203-I207 VanDerWaalsContact O-CG1 3.26Å; I203-I207 WeakPolarHBondContact O-CG1 3.48Å; I203-I207 PolarHBondContact O-N 2.88Å
204K84.8Confident86Confident52 Ų5259.1 Ų59.123%0.22632%0.324CS..Hα-helixtrans-60-42.8178-75.4172.8173.1176.20111.9S45 E138 V200 D201 I207 G208S45-K204 VanDerWaalsContact OG-CE 3.3Å; S45-K204 WeakPolarHBondContact OG-CE 3.2Å; S45-K204 PolarHBondContact OG-NZ 2.91Å; S45-K204 VanDerWaalsContact OG-NZ 3.17Å; E138-K204 WeakPolarHBondContact OE1-CD 3.41Å; E138-K204 IonicContact OE1-NZ 3.12Å; E138-K204 PolarHBondContact OE1-NZ 3.3Å; E138-K204 IonicContact OE2-NZ 3.86Å; V200-K204 HydrophobicContact CG1-CD 4.23Å; V200-K204 WeakPolarHBondContact O-CG 3.42Å; V200-K204 PolarHBondContact O-N 2.96Å; D201-K204 PolarHBondContact O-N 2.95Å; K204-I207 PolarHBondContact O-N 3.37Å; K204-G208 PolarHBondContact O-N 3.29Å
205H86.4Confident86.9Confident121 Ų12156.8 Ų56.856%0.5631%0.309SS*.Hα-helixtrans-63.9-45.2177.2-175.557.9000111.8D201 C202 I203 I207 G208 Q209D201-H205 WeakPolarHBondContact O-CB 3.45Å; D201-H205 PolarHBondContact O-N 2.97Å; C202-H205 PolarHBondContact O-N 3.49Å; I203-H205 VanDerWaalsContact C-N 3.32Å; I203-H205 PolarHBondContact O-N 3.34Å; H205-I207 PolarHBondContact O-N 3.02Å; H205-G208 PolarHBondContact O-N 3.34Å; H205-Q209 WeakPolarHBondContact O-CG 3.39Å; H205-Q209 PolarHBondContact O-N 2.95Å
206A89.7Confident88Confident43 Ų4360.2 Ų60.236%0.35532%0.321SS..Hα-helixtrans-59.6-46.2176.500000111.6C202 I203 G208 Q209 E210C202-A206 WeakPolarHBondContact O-CB 3.47Å; C202-A206 PolarHBondContact O-N 3.44Å; I203-A206 PolarHBondContact O-N 3.43Å; A206-G208 VanDerWaalsContact C-N 3.31Å; A206-G208 PolarHBondContact O-N 2.96Å; A206-Q209 PolarHBondContact O-N 3.15Å; A206-E210 WeakPolarHBondContact O-CG 3.4Å; A206-E210 PolarHBondContact O-N 3.37Å
207I88.8Confident89.2Confident58 Ų5862.3 Ų62.330%0.29733%0.334SS..Hα-helixtrans-61.2-39.5177.2-67.8165.1000111.6I203 K204 H205 A211 A263I203-I207 HydrophobicContact CG2-CD1 3.61Å; I203-I207 HydrophobicContact CG2-CG1 4.38Å; I203-I207 VanDerWaalsContact O-CG1 3.26Å; I203-I207 WeakPolarHBondContact O-CG1 3.48Å; I203-I207 PolarHBondContact O-N 2.88Å; K204-I207 PolarHBondContact O-N 3.37Å; H205-I207 PolarHBondContact O-N 3.02Å; I207-A211 WeakPolarHBondContact O-CB 3.37Å; I207-A211 PolarHBondContact O-N 3.46Å; I207-A211 VanDerWaalsContact O-N 3.08Å; I207-A263 HydrophobicContact CG2-CB 3.93Å
208G91.4Very high90.2Very high18 Ų1865.3 Ų65.319%0.18635%0.347CS..Hα-helixtrans-60-48.7173.100000112.6K204 H205 A206 A211 E212K204-G208 PolarHBondContact O-N 3.29Å; H205-G208 PolarHBondContact O-N 3.34Å; A206-G208 VanDerWaalsContact C-N 3.31Å; A206-G208 PolarHBondContact O-N 2.96Å; G208-A211 WeakPolarHBondContact O-CB 3.29Å; G208-A211 PolarHBondContact O-N 3.07Å; G208-E212 PolarHBondContact O-N 3.26Å; G208-E212 VanDerWaalsContact O-N 3.1Å
209Q92.1Very high91.1Very high78 Ų7861.8 Ų61.836%0.36432%0.324SS..Hα-helixtrans-64.7-40.9178.6-70.5-63.8-65.800112.6H205 A206 A211 E212 V213H205-Q209 WeakPolarHBondContact O-CG 3.39Å; H205-Q209 PolarHBondContact O-N 2.95Å; A206-Q209 PolarHBondContact O-N 3.15Å; Q209-A211 VanDerWaalsContact C-N 3.3Å; Q209-A211 PolarHBondContact O-N 3.05Å; Q209-E212 PolarHBondContact NE2-OE1 3.15Å; Q209-E212 PolarHBondContact NE2-OE2 3.41Å; Q209-E212 PolarHBondContact O-N 3.42Å; Q209-V213 VanDerWaalsContact O-CG2 3.29Å; Q209-V213 WeakPolarHBondContact O-CG2 3.46Å; Q209-V213 PolarHBondContact O-N 2.91Å
210E94.4Very high91.9Very high133 Ų13362.6 Ų62.662%0.62132%0.323SS*.Hα-helixtrans-59.2-41.5174.5-76.8176.5-173.100111.6A206 V213 L214A206-E210 WeakPolarHBondContact O-CG 3.4Å; A206-E210 PolarHBondContact O-N 3.37Å; E210-V213 PolarHBondContact O-N 3.46Å; E210-L214 VanDerWaalsContact O-CB 3.31Å; E210-L214 WeakPolarHBondContact O-CB 3.31Å; E210-L214 PolarHBondContact O-N 2.92Å
211A93.6Very high92.6Very high8 Ų867.4 Ų67.47%0.06634%0.344CS..Hα-helixtrans-65.4-40.2177.300000112.8I207 G208 Q209 L214 L215 A263 W294I207-A211 WeakPolarHBondContact O-CB 3.37Å; I207-A211 PolarHBondContact O-N 3.46Å; I207-A211 VanDerWaalsContact O-N 3.08Å; G208-A211 WeakPolarHBondContact O-CB 3.29Å; G208-A211 PolarHBondContact O-N 3.07Å; Q209-A211 VanDerWaalsContact C-N 3.3Å; Q209-A211 PolarHBondContact O-N 3.05Å; A211-L214 PolarHBondContact O-N 3.27Å; A211-L215 WeakPolarHBondContact O-CB 3.3Å; A211-L215 PolarHBondContact O-N 2.87Å; A211-A263 HydrophobicContact CB-CB 3.8Å; A211-W294 HydrophobicContact CB-CD2 4.46Å; A211-W294 HydrophobicContact CB-CG 4.1Å
212E95.1Very high93.3Very high53 Ų5369 Ų6925%0.24834%0.344CS..Hα-helixtrans-67.6-38174.5-70.9167.4-144.800112.6G208 Q209 R216G208-E212 PolarHBondContact O-N 3.26Å; G208-E212 VanDerWaalsContact O-N 3.1Å; Q209-E212 PolarHBondContact NE2-OE1 3.15Å; Q209-E212 PolarHBondContact NE2-OE2 3.41Å; Q209-E212 PolarHBondContact O-N 3.42Å; E212-R216 WeakPolarHBondContact O-CG 3.35Å; E212-R216 PolarHBondContact O-N 3.39Å; E212-R216 VanDerWaalsContact O-N 3.17Å; E212-R216 PolarHBondContact O-NE 3.06Å
213V96.6Very high93.7Very high59 Ų5972.1 Ų72.136%0.35836%0.355SS..Hα-helixtrans-62.9-49.6172.2172.10000110Q209 E210 L215 R216 D217Q209-V213 VanDerWaalsContact O-CG2 3.29Å; Q209-V213 WeakPolarHBondContact O-CG2 3.46Å; Q209-V213 PolarHBondContact O-N 2.91Å; E210-V213 PolarHBondContact O-N 3.46Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.03Å; V213-R216 VanDerWaalsContact CG2-NH2 3.26Å; V213-R216 PolarHBondContact O-N 3.48Å; V213-R216 VanDerWaalsContact O-N 3.1Å; V213-D217 PolarHBondContact O-N 2.89Å
214L97.2Very high94.2Very high74 Ų7468.3 Ų68.339%0.38734%0.336SS..Hα-helixtrans-56.6-43.6177.9177.763.8000111.7E210 A211 R216 D217 K218 W294E210-L214 VanDerWaalsContact O-CB 3.31Å; E210-L214 WeakPolarHBondContact O-CB 3.31Å; E210-L214 PolarHBondContact O-N 2.92Å; A211-L214 PolarHBondContact O-N 3.27Å; L214-R216 PolarHBondContact O-N 3.48Å; L214-D217 PolarHBondContact O-N 2.98Å; L214-K218 HydrophobicContact CD1-CG 4.22Å; L214-K218 HydrophobicContact CG-CG 4.46Å; L214-K218 WeakPolarHBondContact O-CB 3.26Å; L214-K218 VanDerWaalsContact O-CG 3.22Å; L214-K218 WeakPolarHBondContact O-CG 3.3Å; L214-K218 PolarHBondContact O-N 3.3Å; L214-W294 HydrophobicContact CD2-CE3 4.2Å; L214-W294 HydrophobicContact CD2-CH2 3.94Å; L214-W294 HydrophobicContact CD2-CZ3 3.67Å; L214-W294 HydrophobicContact CG-CH2 4.21Å; L214-W294 HydrophobicContact CG-CZ3 4.41Å
215L97.9Very high94.8Very high1 Ų168.8 Ų68.81%0.00535%0.346CS..Hα-helixtrans-58.4-4817617855.3000111.6A211 V213 D217 K218 L219 I243 I259 I292 W294 F315A211-L215 WeakPolarHBondContact O-CB 3.3Å; A211-L215 PolarHBondContact O-N 2.87Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.03Å; L215-D217 VanDerWaalsContact C-N 3.34Å; L215-D217 PolarHBondContact O-N 3.48Å; L215-K218 PolarHBondContact O-N 3.35Å; L215-L219 HydrophobicContact CD1-CD1 4.19Å; L215-L219 HydrophobicContact CD1-CG 4.32Å; L215-L219 HydrophobicContact CG-CD1 4.13Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.27Å; L215-L219 PolarHBondContact O-N 2.89Å; L215-I243 HydrophobicContact CD2-CG1 3.67Å; L215-I243 HydrophobicContact CG-CG1 4.09Å; L215-I259 HydrophobicContact CD1-CD1 4.41Å; L215-I259 HydrophobicContact CD1-CG2 4.19Å; L215-I259 HydrophobicContact CD2-CB 4.38Å; L215-I259 HydrophobicContact CD2-CG2 3.9Å; L215-I292 HydrophobicContact CD1-CD1 4.05Å; L215-W294 HydrophobicContact CB-CZ2 4.19Å; L215-F315 HydrophobicContact CD1-CD2 3.65Å; L215-F315 HydrophobicContact CD1-CE2 3.87Å
216R97.7Very high95.3Very high74 Ų7464.3 Ų64.328%0.27933%0.325SS..Hα-helixtrans-62.7-40.9179-73.1-177.9-70.6155-5.6112.1E212 V213 L214 L219 K220 F226 I243E212-R216 WeakPolarHBondContact O-CG 3.35Å; E212-R216 PolarHBondContact O-N 3.39Å; E212-R216 VanDerWaalsContact O-N 3.17Å; E212-R216 PolarHBondContact O-NE 3.06Å; V213-R216 VanDerWaalsContact CG2-NH2 3.26Å; V213-R216 PolarHBondContact O-N 3.48Å; V213-R216 VanDerWaalsContact O-N 3.1Å; L214-R216 PolarHBondContact O-N 3.48Å; R216-L219 PolarHBondContact O-N 3.25Å; R216-K220 VanDerWaalsContact O-CG 3.31Å; R216-K220 WeakPolarHBondContact O-CG 3.42Å; R216-K220 PolarHBondContact O-N 3.09Å; R216-F226 HydrophobicContact CB-CE2 4.43Å; R216-F226 HydrophobicContact CB-CZ 4.03Å; R216-F226 HydrophobicContact CG-CE2 3.86Å; R216-F226 HydrophobicContact CG-CZ 3.97Å; R216-I243 HydrophobicContact CG-CD1 3.93Å
217D97.9Very high95.6Very high67 Ų6763.1 Ų63.136%0.35831%0.312SS..Hα-helixtrans-66-41.9177.7-68.9-16.5000111V213 L214 L215 L219 K220 E221V213-D217 PolarHBondContact O-N 2.89Å; L214-D217 PolarHBondContact O-N 2.98Å; L215-D217 VanDerWaalsContact C-N 3.34Å; L215-D217 PolarHBondContact O-N 3.48Å; D217-L219 VanDerWaalsContact C-N 3.35Å; D217-L219 PolarHBondContact O-N 3.45Å; D217-K220 PolarHBondContact O-N 3.47Å; D217-E221 WeakPolarHBondContact O-CB 3.34Å; D217-E221 VanDerWaalsContact O-CG 3.3Å; D217-E221 WeakPolarHBondContact O-CG 3.37Å; D217-E221 PolarHBondContact O-N 2.94Å
218K97.6Very high96Very high63 Ų6361.7 Ų61.727%0.27431%0.305SS..Hα-helixtrans-62.5-38.4174.9-69-72.1156.1-139.80113L214 L215 E221 R222 F315L214-K218 HydrophobicContact CD1-CG 4.22Å; L214-K218 HydrophobicContact CG-CG 4.46Å; L214-K218 WeakPolarHBondContact O-CB 3.26Å; L214-K218 VanDerWaalsContact O-CG 3.22Å; L214-K218 WeakPolarHBondContact O-CG 3.3Å; L214-K218 PolarHBondContact O-N 3.3Å; L215-K218 PolarHBondContact O-N 3.35Å; K218-E221 IonicContact NZ-OE1 3.5Å; K218-E221 PolarHBondContact NZ-OE1 3.02Å; K218-E221 IonicContact NZ-OE2 2.61Å; K218-E221 PolarHBondContact NZ-OE2 3.33Å; K218-R222 WeakPolarHBondContact O-CG 3.26Å; K218-R222 PolarHBondContact O-N 3.34Å; K218-F315 HydrophobicContact CB-CB 4.38Å; K218-F315 HydrophobicContact CB-CD1 3.79Å; K218-F315 HydrophobicContact CB-CD2 3.95Å; K218-F315 HydrophobicContact CB-CE1 3.98Å; K218-F315 HydrophobicContact CB-CE2 4.14Å; K218-F315 HydrophobicContact CB-CG 3.76Å; K218-F315 HydrophobicContact CB-CZ 4.15Å; K218-F315 HydrophobicContact CD-CD1 4.42Å; K218-F315 HydrophobicContact CG-CB 4.31Å; K218-F315 HydrophobicContact CG-CD1 4.33Å; K218-F315 HydrophobicContact CG-CG 4.21Å
219L97.3Very high96Very high0 Ų062.6 Ų62.60%030%0.304CS..Hα-helixtrans-64.8-44174.7-70.6165.8000111.7L215 R216 D217 R222 N223 L224 F226 I243 L245 I259 F315L215-L219 HydrophobicContact CD1-CD1 4.19Å; L215-L219 HydrophobicContact CD1-CG 4.32Å; L215-L219 HydrophobicContact CG-CD1 4.13Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.27Å; L215-L219 PolarHBondContact O-N 2.89Å; R216-L219 PolarHBondContact O-N 3.25Å; D217-L219 VanDerWaalsContact C-N 3.35Å; D217-L219 PolarHBondContact O-N 3.45Å; L219-R222 CarbonylContact O-C 3.47Å; L219-R222 PolarHBondContact O-N 2.93Å; L219-N223 PolarHBondContact O-N 3.45Å; L219-L224 HydrophobicContact CD2-CB 4.17Å; L219-L224 HydrophobicContact CD2-CD1 3.78Å; L219-L224 PolarHBondContact O-N 3.02Å; L219-F226 HydrophobicContact CB-CD1 3.65Å; L219-F226 HydrophobicContact CB-CE1 3.53Å; L219-F226 HydrophobicContact CB-CZ 4.4Å; L219-F226 HydrophobicContact CD1-CD1 3.85Å; L219-F226 HydrophobicContact CD1-CD2 4.37Å; L219-F226 HydrophobicContact CD1-CE1 4.1Å; L219-F226 HydrophobicContact CD1-CG 4Å; L219-F226 HydrophobicContact CD1-CZ 4.46Å; L219-F226 HydrophobicContact CG-CD1 4.31Å; L219-F226 HydrophobicContact CG-CE1 4.46Å; L219-I243 HydrophobicContact CD1-CB 4.38Å; L219-I243 HydrophobicContact CD1-CD1 3.91Å; L219-I243 HydrophobicContact CD1-CG1 3.86Å; L219-I243 HydrophobicContact CD1-CG2 3.71Å; L219-L245 HydrophobicContact CD2-CD2 3.76Å; L219-I259 HydrophobicContact CD2-CD1 4.13Å; L219-F315 HydrophobicContact CD2-CE2 3.78Å; L219-F315 HydrophobicContact CD2-CZ 3.96Å; L219-F315 HydrophobicContact CG-CE2 4.05Å; L219-F315 HydrophobicContact CG-CZ 4.41Å
220K97Very high96Very high126 Ų12664.1 Ų64.155%0.54832%0.315SS..Hα-helixtrans-64.5-43.8176.6-70.3170.9-173.7169.60112.4R216 D217 R222 N223 F226R216-K220 VanDerWaalsContact O-CG 3.31Å; R216-K220 WeakPolarHBondContact O-CG 3.42Å; R216-K220 PolarHBondContact O-N 3.09Å; D217-K220 PolarHBondContact O-N 3.47Å; K220-R222 PolarHBondContact O-N 3.36Å; K220-N223 PolarHBondContact O-N 3.18Å; K220-F226 HydrophobicContact CG-CE1 4.1Å; K220-F226 HydrophobicContact CG-CZ 4.41Å
221E96.7Very high96.1Very high124 Ų12461.5 Ų61.558%0.57930%0.303SS*.Hα-helixtrans-57.1-30.7175.3-76.1171.9-165.200112.1D217 K218D217-E221 WeakPolarHBondContact O-CB 3.34Å; D217-E221 VanDerWaalsContact O-CG 3.3Å; D217-E221 WeakPolarHBondContact O-CG 3.37Å; D217-E221 PolarHBondContact O-N 2.94Å; K218-E221 IonicContact NZ-OE1 3.5Å; K218-E221 PolarHBondContact NZ-OE1 3.02Å; K218-E221 IonicContact NZ-OE2 2.61Å; K218-E221 PolarHBondContact NZ-OE2 3.33Å
222R94.7Very high96Very high108 Ų10861.1 Ų61.141%0.40830%0.3SS..THydrogen-bonded Turntrans-92.74.8176.5-61.6-57.2-177.190.8-2.3114K218 L219 K220 L224 F315 S317K218-R222 WeakPolarHBondContact O-CG 3.26Å; K218-R222 PolarHBondContact O-N 3.34Å; L219-R222 CarbonylContact O-C 3.47Å; L219-R222 PolarHBondContact O-N 2.93Å; K220-R222 PolarHBondContact O-N 3.36Å; R222-L224 HydrophobicContact CB-CD1 4.09Å; R222-L224 HydrophobicContact CB-CG 3.99Å; R222-L224 PolarHBondContact O-N 3.38Å; R222-F315 HydrophobicContact CG-CE1 4.02Å; R222-S317 PolarHBondContact NH1-O 2.91Å
223N95.3Very high95.9Very high153 Ų15362.4 Ų62.482%0.81830%0.302SS*.THydrogen-bonded Turntrans53.838.4-177.9-161.538.2000113.3L219 K220L219-N223 PolarHBondContact O-N 3.45Å; K220-N223 PolarHBondContact O-N 3.18Å
224L96.4Very high95.8Very high21 Ų2165.5 Ų65.511%0.1132%0.322CS..  trans-90.9129.6176.1-63.3175.4000109.4L219 R222 F226 I249 F315 I319 T321L219-L224 HydrophobicContact CD2-CB 4.17Å; L219-L224 HydrophobicContact CD2-CD1 3.78Å; L219-L224 PolarHBondContact O-N 3.02Å; R222-L224 HydrophobicContact CB-CD1 4.09Å; R222-L224 HydrophobicContact CB-CG 3.99Å; R222-L224 PolarHBondContact O-N 3.38Å; L224-F226 WeakPolarHBondContact O-CD1 3.34Å; L224-I249 HydrophobicContact CD1-CD1 4.26Å; L224-I249 HydrophobicContact CD1-CG2 4.36Å; L224-I249 HydrophobicContact CD2-CG2 3.8Å; L224-F315 HydrophobicContact CD1-CZ 4.5Å; L224-I319 HydrophobicContact CD1-CD1 3.97Å; L224-I319 HydrophobicContact CD1-CG2 4.44Å; L224-T321 HydrophobicContact CD2-CG2 3.68Å
225S96.3Very high95.5Very high62 Ų6267.9 Ų67.943%0.43433%0.329SS..  trans-82.1134.8175.9-163.30000110.9E246S225-E246 WeakPolarHBondContact CB-OE2 3.37Å; S225-E246 PolarHBondContact O-N 3.01Å; S225-E246 PolarHBondContact OG-OE2 2.78Å
226F97.5Very high95.2Very high28 Ų2870.9 Ų70.912%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-154.5159.4-174.668.6-93.8000113.8R216 L219 K220 L224 I243 I244 L245R216-F226 HydrophobicContact CB-CE2 4.43Å; R216-F226 HydrophobicContact CB-CZ 4.03Å; R216-F226 HydrophobicContact CG-CE2 3.86Å; R216-F226 HydrophobicContact CG-CZ 3.97Å; L219-F226 HydrophobicContact CB-CD1 3.65Å; L219-F226 HydrophobicContact CB-CE1 3.53Å; L219-F226 HydrophobicContact CB-CZ 4.4Å; L219-F226 HydrophobicContact CD1-CD1 3.85Å; L219-F226 HydrophobicContact CD1-CD2 4.37Å; L219-F226 HydrophobicContact CD1-CE1 4.1Å; L219-F226 HydrophobicContact CD1-CG 4Å; L219-F226 HydrophobicContact CD1-CZ 4.46Å; L219-F226 HydrophobicContact CG-CD1 4.31Å; L219-F226 HydrophobicContact CG-CE1 4.46Å; K220-F226 HydrophobicContact CG-CE1 4.1Å; K220-F226 HydrophobicContact CG-CZ 4.41Å; L224-F226 WeakPolarHBondContact O-CD1 3.34Å; F226-I243 HydrophobicContact CB-CG2 3.79Å; F226-I243 HydrophobicContact CD2-CD1 3.54Å; F226-I243 HydrophobicContact CD2-CG2 4.29Å; F226-I243 HydrophobicContact CE2-CD1 3.75Å; F226-I243 HydrophobicContact CG-CD1 4.36Å; F226-I243 HydrophobicContact CG-CG2 4.22Å; F226-I244 CarbonylContact C-O 3.54Å; F226-I244 WeakPolarHBondContact CA-O 3.14Å; F226-I244 WeakPolarHBondContact CB-O 3.45Å; F226-L245 HydrophobicContact CB-CD2 4.2Å
227L97.3Very high94.8Very high17 Ų1772.2 Ų72.29%0.08937%0.366CS..EExtended strand (participates in β ladder)trans-108.9129.8168.7-57.1175.8000109.2L232 K235 I243 I244 E246L227-L232 HydrophobicContact CB-CD2 3.91Å; L227-L232 HydrophobicContact CB-CG 4.28Å; L227-L232 HydrophobicContact CD1-CD2 3.97Å; L227-K235 HydrophobicContact CD1-CD 4.22Å; L227-I243 WeakPolarHBondContact O-CA 3.39Å; L227-I244 PolarHBondContact N-O 3.05Å; L227-I244 PolarHBondContact O-N 3.28Å; L227-E246 HydrophobicContact CG-CG 4.4Å
228D95.8Very high94.1Very high28 Ų2873.8 Ų73.815%0.1537%0.374CS..EExtended strand (participates in β ladder)trans-86168.2172.865.545.8000112.6N230 Q231 L232 D242 I243D228-N230 VanDerWaalsContact C-N 3.26Å; D228-N230 PolarHBondContact O-N 2.89Å; D228-N230 WeakPolarHBondContact OD1-CB 3.44Å; D228-N230 PolarHBondContact OD1-N 2.99Å; D228-Q231 VanDerWaalsContact CG-NE2 3.27Å; D228-Q231 WeakPolarHBondContact O-CB 3.43Å; D228-Q231 PolarHBondContact O-N 3.12Å; D228-Q231 VanDerWaalsContact O-N 3.1Å; D228-Q231 WeakPolarHBondContact OD1-CG 3.36Å; D228-Q231 PolarHBondContact OD1-N 3.39Å; D228-Q231 PolarHBondContact OD2-NE2 3.44Å; D228-L232 WeakPolarHBondContact O-CG 3.25Å; D228-L232 PolarHBondContact O-N 2.88Å; D228-D242 WeakPolarHBondContact CA-O 3.48Å; D228-I243 HydrophobicContact CB-CD1 4.36Å
229E92.1Very high93.6Very high37 Ų3773.3 Ų73.317%0.17337%0.372CS..Hα-helixtrans-50.7-42.1-179.4-156.5-158.4-158.100113.5L232 R233 T240 D242E229-L232 PolarHBondContact O-N 3.15Å; E229-R233 VanDerWaalsContact CD-NH2 3.28Å; E229-R233 VanDerWaalsContact O-CG 3.27Å; E229-R233 WeakPolarHBondContact O-CG 3.47Å; E229-R233 PolarHBondContact O-N 3.5Å; E229-R233 IonicContact OE1-CZ 3.1Å; E229-R233 IonicContact OE1-NE 2.63Å; E229-R233 IonicContact OE1-NH2 3.33Å; E229-R233 PolarHBondContact OE1-NH2 2.91Å; E229-R233 IonicContact OE2-CZ 3.96Å; E229-R233 IonicContact OE2-NE 3.95Å; E229-R233 PolarHBondContact OE2-NE 3.28Å; E229-R233 VanDerWaalsContact OE2-NE 3.16Å; E229-R233 IonicContact OE2-NH2 2.67Å; E229-R233 PolarHBondContact OE2-NH2 2.53Å; E229-T240 WeakPolarHBondContact CG-OG1 3.39Å; E229-T240 PolarHBondContact OE1-OG1 2.95Å; E229-D242 PolarHBondContact N-O 3.46Å; E229-D242 VanDerWaalsContact N-O 3.1Å
230N92.1Very high93.3Very high110 Ų11073.7 Ų73.759%0.58838%0.375SS*.Hα-helixtrans-67.8-39.3-178.4-71.7-40.4000111.9D228 R233 T234D228-N230 VanDerWaalsContact C-N 3.26Å; D228-N230 PolarHBondContact O-N 2.89Å; D228-N230 WeakPolarHBondContact OD1-CB 3.44Å; D228-N230 PolarHBondContact OD1-N 2.99Å; N230-R233 PolarHBondContact O-N 3.26Å; N230-T234 PolarHBondContact O-N 2.88Å; N230-T234 PolarHBondContact O-OG1 3.31Å
231Q95.3Very high93.2Very high78 Ų7867.7 Ų67.736%0.36435%0.348SS..Hα-helixtrans-65.9-41.2174.3-66175.758.400111.2D228 R233 T234 K235D228-Q231 VanDerWaalsContact CG-NE2 3.27Å; D228-Q231 WeakPolarHBondContact O-CB 3.43Å; D228-Q231 PolarHBondContact O-N 3.12Å; D228-Q231 VanDerWaalsContact O-N 3.1Å; D228-Q231 WeakPolarHBondContact OD1-CG 3.36Å; D228-Q231 PolarHBondContact OD1-N 3.39Å; D228-Q231 PolarHBondContact OD2-NE2 3.44Å; Q231-R233 PolarHBondContact O-N 2.97Å; Q231-T234 PolarHBondContact O-N 3.16Å; Q231-K235 WeakPolarHBondContact O-CB 3.49Å; Q231-K235 WeakPolarHBondContact O-CG 3.33Å; Q231-K235 PolarHBondContact O-N 3.48Å
232L92.7Very high93.2Very high0 Ų062.7 Ų62.70%033%0.326CS..Hα-helixtrans-62-42.4175.3-63.2174.2000111.7L227 D228 E229 T234 K235 G236 Y237 T240 P241 I244L227-L232 HydrophobicContact CB-CD2 3.91Å; L227-L232 HydrophobicContact CB-CG 4.28Å; L227-L232 HydrophobicContact CD1-CD2 3.97Å; D228-L232 WeakPolarHBondContact O-CG 3.25Å; D228-L232 PolarHBondContact O-N 2.88Å; E229-L232 PolarHBondContact O-N 3.15Å; L232-T234 PolarHBondContact O-N 3.44Å; L232-K235 CarbonylContact O-C 3.56Å; L232-K235 PolarHBondContact O-N 3.47Å; L232-G236 PolarHBondContact O-N 2.89Å; L232-Y237 HydrophobicContact CB-CD2 4.21Å; L232-Y237 HydrophobicContact CD2-CD2 3.95Å; L232-Y237 HydrophobicContact CD2-CE2 4.06Å; L232-Y237 WeakPolarHBondContact O-CD2 3.48Å; L232-Y237 PolarHBondContact O-N 2.94Å; L232-Y237 VanDerWaalsContact O-N 3.11Å; L232-T240 HydrophobicContact CB-CG2 3.76Å; L232-P241 HydrophobicContact CD1-CG 4.37Å; L232-P241 WeakPolarHBondContact CD1-O 3.17Å; L232-I244 HydrophobicContact CD1-CB 4.44Å; L232-I244 HydrophobicContact CD1-CD1 3.81Å; L232-I244 HydrophobicContact CD1-CG1 3.79Å; L232-I244 HydrophobicContact CD2-CB 4.36Å; L232-I244 HydrophobicContact CD2-CD1 3.7Å; L232-I244 HydrophobicContact CD2-CG1 4.21Å; L232-I244 HydrophobicContact CG-CD1 4.43Å
233R92.2Very high93.3Very high80 Ų8057.7 Ų57.730%0.30231%0.307SS..Hα-helixtrans-60.3-45.2174.3-70.7175.5-175-65.2-4.3111.6S143 E229 N230 Q231 K235 G236 T240S143-R233 VanDerWaalsContact CB-CZ 3.44Å; S143-R233 VanDerWaalsContact CB-NH2 3.32Å; E229-R233 VanDerWaalsContact CD-NH2 3.28Å; E229-R233 VanDerWaalsContact O-CG 3.27Å; E229-R233 WeakPolarHBondContact O-CG 3.47Å; E229-R233 PolarHBondContact O-N 3.5Å; E229-R233 IonicContact OE1-CZ 3.1Å; E229-R233 IonicContact OE1-NE 2.63Å; E229-R233 IonicContact OE1-NH2 3.33Å; E229-R233 PolarHBondContact OE1-NH2 2.91Å; E229-R233 IonicContact OE2-CZ 3.96Å; E229-R233 IonicContact OE2-NE 3.95Å; E229-R233 PolarHBondContact OE2-NE 3.28Å; E229-R233 VanDerWaalsContact OE2-NE 3.16Å; E229-R233 IonicContact OE2-NH2 2.67Å; E229-R233 PolarHBondContact OE2-NH2 2.53Å; N230-R233 PolarHBondContact O-N 3.26Å; Q231-R233 PolarHBondContact O-N 2.97Å; R233-K235 VanDerWaalsContact C-N 3.26Å; R233-K235 PolarHBondContact O-N 3.4Å; R233-G236 PolarHBondContact O-N 3.12Å; R233-T240 HydrophobicContact CG-CG2 3.89Å; R233-T240 PolarHBondContact NH2-OG1 2.77Å
234T94.4Very high93.4Very high125 Ų12550.9 Ų50.977%0.76727%0.27SS*.Hα-helixtrans-62.8-35.1178.4-55.60000111.7N230 Q231 L232 G236N230-T234 PolarHBondContact O-N 2.88Å; N230-T234 PolarHBondContact O-OG1 3.31Å; Q231-T234 PolarHBondContact O-N 3.16Å; L232-T234 PolarHBondContact O-N 3.44Å; T234-G236 PolarHBondContact O-N 3.02Å
235K92.3Very high93.5Very high123 Ų12349.9 Ų49.954%0.53527%0.265SS..THydrogen-bonded Turntrans-76.3-1.8174.7-70.8178.7179.7-175.30113.9L227 Q231 L232 R233 Y237L227-K235 HydrophobicContact CD1-CD 4.22Å; Q231-K235 WeakPolarHBondContact O-CB 3.49Å; Q231-K235 WeakPolarHBondContact O-CG 3.33Å; Q231-K235 PolarHBondContact O-N 3.48Å; L232-K235 CarbonylContact O-C 3.56Å; L232-K235 PolarHBondContact O-N 3.47Å; R233-K235 VanDerWaalsContact C-N 3.26Å; R233-K235 PolarHBondContact O-N 3.4Å; K235-Y237 HydrophobicContact CB-CD2 3.81Å; K235-Y237 HydrophobicContact CB-CE2 3.81Å; K235-Y237 HydrophobicContact CD-CE2 4.33Å
236G91.5Very high93.5Very high64 Ų6452.1 Ų52.166%0.6627%0.269SS*.THydrogen-bonded Turntrans84.316.2174.800000115.4L232 R233 T234L232-G236 PolarHBondContact O-N 2.89Å; R233-G236 PolarHBondContact O-N 3.12Å; T234-G236 PolarHBondContact O-N 3.02Å
237Y87.8Confident93.4Very high103 Ų10354.5 Ų54.540%0.40429%0.286SS..  trans-69.3133174.3-71.9-89.3000110.9L232 K235 F286L232-Y237 HydrophobicContact CB-CD2 4.21Å; L232-Y237 HydrophobicContact CD2-CD2 3.95Å; L232-Y237 HydrophobicContact CD2-CE2 4.06Å; L232-Y237 WeakPolarHBondContact O-CD2 3.48Å; L232-Y237 PolarHBondContact O-N 2.94Å; L232-Y237 VanDerWaalsContact O-N 3.11Å; K235-Y237 HydrophobicContact CB-CD2 3.81Å; K235-Y237 HydrophobicContact CB-CE2 3.81Å; K235-Y237 HydrophobicContact CD-CE2 4.33Å; Y237-F286 AromaticContact CD1-CE1 3.88Å; Y237-F286 HydrophobicContact CD1-CE1 3.88Å; Y237-F286 AromaticContact CD1-CZ 3.85Å; Y237-F286 HydrophobicContact CD1-CZ 3.85Å; Y237-F286 AromaticContact CE1-CE1 3.72Å; Y237-F286 HydrophobicContact CE1-CE1 3.72Å; Y237-F286 HydrophobicContact CE1-CZ 4.19Å
238D84.9Confident93.4Very high99 Ų9955.6 Ų55.653%0.52929%0.293SS..SBendtrans-88.4-17.2-179.967.9-44.5000113.3R285D238-R285 IonicContact OD1-CZ 3.37Å; D238-R285 IonicContact OD1-NH1 2.64Å; D238-R285 PolarHBondContact OD1-NH1 3.44Å; D238-R285 IonicContact OD1-NH2 3.62Å; D238-R285 IonicContact OD2-CZ 3.17Å; D238-R285 IonicContact OD2-NH1 2.85Å; D238-R285 PolarHBondContact OD2-NH1 3.24Å; D238-R285 IonicContact OD2-NH2 2.67Å; D238-R285 PolarHBondContact OD2-NH2 3.2Å
239K86.9Confident93.4Very high53 Ų5354.4 Ų54.423%0.2329%0.287CS..SBendtrans-117.1134.5162-85.412.7172.3146.10108.9S281 Y282 R285 F286K239-S281 WeakPolarHBondContact CE-OG 3.28Å; K239-S281 VanDerWaalsContact CG-OG 3.28Å; K239-S281 WeakPolarHBondContact CG-OG 3.47Å; K239-Y282 HydrophobicContact CB-CD1 3.85Å; K239-Y282 HydrophobicContact CB-CE1 3.8Å; K239-Y282 HydrophobicContact CG-CD1 3.94Å; K239-Y282 HydrophobicContact CG-CE1 3.86Å; K239-R285 VanDerWaalsContact CD-NH1 3.33Å; K239-R285 VanDerWaalsContact N-NH1 3.2Å; K239-F286 HydrophobicContact CB-CE2 4.48Å
240T91.4Very high93.6Very high9 Ų953.7 Ų53.76%0.05529%0.287CS..  trans-135.590.9-17555.60000107.9E229 L232 R233E229-T240 WeakPolarHBondContact CG-OG1 3.39Å; E229-T240 PolarHBondContact OE1-OG1 2.95Å; L232-T240 HydrophobicContact CB-CG2 3.76Å; R233-T240 HydrophobicContact CG-CG2 3.89Å; R233-T240 PolarHBondContact NH2-OG1 2.77Å
241P93.8Very high93.8Very high0 Ų048.4 Ų48.40%026%0.259CS..  trans-59.6160.8162.630.1-35.5000108.8L232 I243 I244 W258 Y282 F286L232-P241 HydrophobicContact CD1-CG 4.37Å; L232-P241 WeakPolarHBondContact CD1-O 3.17Å; P241-I243 PolarHBondContact O-N 3.47Å; P241-I244 HydrophobicContact CG-CD1 4.09Å; P241-I244 HydrophobicContact CG-CG1 3.64Å; P241-W258 HydrophobicContact CB-CB 4.16Å; P241-W258 HydrophobicContact CB-CD2 4.48Å; P241-W258 HydrophobicContact CB-CE3 4.08Å; P241-W258 HydrophobicContact CG-CB 3.88Å; P241-W258 HydrophobicContact CG-CG 4.47Å; P241-Y282 HydrophobicContact CB-CD2 4.05Å; P241-Y282 HydrophobicContact CB-CE2 4.08Å; P241-Y282 HydrophobicContact CB-CG 4.33Å; P241-F286 HydrophobicContact CG-CD2 4.35Å; P241-F286 HydrophobicContact CG-CE2 4.24Å
242D96.3Very high93.8Very high19 Ų1948.6 Ų48.610%0.10226%0.26CS..SBendtrans-58.2-36.6-177.6-62.7-41.9000112.3D228 E229 S261D228-D242 WeakPolarHBondContact CA-O 3.48Å; E229-D242 PolarHBondContact N-O 3.46Å; E229-D242 VanDerWaalsContact N-O 3.1Å; D242-S261 WeakPolarHBondContact OD2-CA 3.41Å; D242-S261 VanDerWaalsContact OD2-CB 3.27Å; D242-S261 WeakPolarHBondContact OD2-CB 3.48Å; D242-S261 PolarHBondContact OD2-N 2.98Å
243I98Very high93.7Very high2 Ų252.1 Ų52.11%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-137.7135.8179.6-60.4-66.8000110.7L215 R216 L219 F226 L227 D228 P241 L245 W258 I259L215-I243 HydrophobicContact CD2-CG1 3.67Å; L215-I243 HydrophobicContact CG-CG1 4.09Å; R216-I243 HydrophobicContact CG-CD1 3.93Å; L219-I243 HydrophobicContact CD1-CB 4.38Å; L219-I243 HydrophobicContact CD1-CD1 3.91Å; L219-I243 HydrophobicContact CD1-CG1 3.86Å; L219-I243 HydrophobicContact CD1-CG2 3.71Å; F226-I243 HydrophobicContact CB-CG2 3.79Å; F226-I243 HydrophobicContact CD2-CD1 3.54Å; F226-I243 HydrophobicContact CD2-CG2 4.29Å; F226-I243 HydrophobicContact CE2-CD1 3.75Å; F226-I243 HydrophobicContact CG-CD1 4.36Å; F226-I243 HydrophobicContact CG-CG2 4.22Å; L227-I243 WeakPolarHBondContact O-CA 3.39Å; D228-I243 HydrophobicContact CB-CD1 4.36Å; P241-I243 PolarHBondContact O-N 3.47Å; I243-L245 HydrophobicContact CG2-CD2 4.16Å; I243-W258 CarbonylContact O-C 3.58Å; I243-W258 VanDerWaalsContact O-CA 3.27Å; I243-W258 WeakPolarHBondContact O-CA 3.24Å; I243-W258 WeakPolarHBondContact O-CB 3.41Å; I243-I259 HydrophobicContact CB-CB 4.18Å; I243-I259 PolarHBondContact N-O 3.37Å; I243-I259 VanDerWaalsContact N-O 3.08Å; I243-I259 PolarHBondContact O-N 3.16Å
244I97.8Very high93.9Very high10 Ų1050.7 Ų50.75%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-112.8127.6157.3-67.3-175.3000108.3F226 L227 L232 P241 W258 F286F226-I244 CarbonylContact C-O 3.54Å; F226-I244 WeakPolarHBondContact CA-O 3.14Å; F226-I244 WeakPolarHBondContact CB-O 3.45Å; L227-I244 PolarHBondContact N-O 3.05Å; L227-I244 PolarHBondContact O-N 3.28Å; L232-I244 HydrophobicContact CD1-CB 4.44Å; L232-I244 HydrophobicContact CD1-CD1 3.81Å; L232-I244 HydrophobicContact CD1-CG1 3.79Å; L232-I244 HydrophobicContact CD2-CB 4.36Å; L232-I244 HydrophobicContact CD2-CD1 3.7Å; L232-I244 HydrophobicContact CD2-CG1 4.21Å; L232-I244 HydrophobicContact CG-CD1 4.43Å; P241-I244 HydrophobicContact CG-CD1 4.09Å; P241-I244 HydrophobicContact CG-CG1 3.64Å; I244-W258 HydrophobicContact CG1-CB 4.3Å; I244-F286 HydrophobicContact CD1-CD1 3.66Å; I244-F286 HydrophobicContact CD1-CD2 4.1Å; I244-F286 HydrophobicContact CD1-CE1 3.48Å; I244-F286 VanDerWaalsContact CD1-CE1 3.48Å; I244-F286 HydrophobicContact CD1-CE2 3.95Å; I244-F286 HydrophobicContact CD1-CG 3.96Å; I244-F286 HydrophobicContact CD1-CZ 3.64Å
245L97.7Very high94Very high1 Ų148.9 Ų48.91%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-78.2131.4173.5-60.6172.6000108.9L219 F226 I243 V247 I249 V256 H257 I259L219-L245 HydrophobicContact CD2-CD2 3.76Å; F226-L245 HydrophobicContact CB-CD2 4.2Å; I243-L245 HydrophobicContact CG2-CD2 4.16Å; L245-V247 PolarHBondContact O-N 3.17Å; L245-I249 HydrophobicContact CD1-CB 4.39Å; L245-I249 HydrophobicContact CD1-CD1 3.73Å; L245-I249 HydrophobicContact CD1-CG1 3.62Å; L245-I249 HydrophobicContact CD1-CG2 4.17Å; L245-V256 HydrophobicContact CD1-CG1 4.32Å; L245-V256 WeakPolarHBondContact CD1-O 3.48Å; L245-H257 WeakPolarHBondContact CB-O 3.47Å; L245-H257 PolarHBondContact N-O 3.34Å; L245-H257 PolarHBondContact O-CD2 2.89Å; L245-H257 PolarHBondContact O-NE2 2.91Å; L245-I259 HydrophobicContact CD1-CD1 4.43Å; L245-I259 HydrophobicContact CD2-CD1 4.5Å
246E95.6Very high94.3Very high108 Ų10843 Ų4351%0.50525%0.252SS..EExtended strand (participates in β ladder)trans-68.1-31.4177-64.7-170.5158.800111.6S225 L227S225-E246 WeakPolarHBondContact CB-OE2 3.37Å; S225-E246 PolarHBondContact O-N 3.01Å; S225-E246 PolarHBondContact OG-OE2 2.78Å; L227-E246 HydrophobicContact CG-CG 4.4Å
247V95.3Very high94.6Very high79 Ų7942.2 Ų42.248%0.47923%0.231SC..EExtended strand (participates in β ladder)trans-120.9116.9171.3-177.20000107.8L245L245-V247 PolarHBondContact O-N 3.17Å
248P96.8Very high95.1Very high39 Ų3937.3 Ų37.325%0.25321%0.212SC..EExtended strand (participates in β ladder)trans-55.9145175.5-25.133.3000112.2I255 V256 H257P248-I255 HydrophobicContact CB-CG2 3.89Å; P248-V256 WeakPolarHBondContact CA-O 3.47Å; P248-H257 HydrophobicContact CB-CB 4.31Å; P248-H257 HydrophobicContact CG-CB 4.15Å
249I97Very high95.7Very high3 Ų332.6 Ų32.62%0.01519%0.187CC..EExtended strand (participates in β ladder)trans-111.8163.4177.364.7-179.5000110.4L224 L245 V251 I255 V256 I319 T321L224-I249 HydrophobicContact CD1-CD1 4.26Å; L224-I249 HydrophobicContact CD1-CG2 4.36Å; L224-I249 HydrophobicContact CD2-CG2 3.8Å; L245-I249 HydrophobicContact CD1-CB 4.39Å; L245-I249 HydrophobicContact CD1-CD1 3.73Å; L245-I249 HydrophobicContact CD1-CG1 3.62Å; L245-I249 HydrophobicContact CD1-CG2 4.17Å; I249-V251 HydrophobicContact CD1-CG2 4.04Å; I249-V251 HydrophobicContact CG1-CG2 4.23Å; I249-I255 CarbonylContact O-C 3.54Å; I249-I255 WeakPolarHBondContact O-CA 3.32Å; I249-V256 HydrophobicContact CG1-CB 3.96Å; I249-V256 HydrophobicContact CG1-CG1 4.44Å; I249-V256 PolarHBondContact N-O 3.01Å; I249-V256 PolarHBondContact O-N 2.83Å; I249-I319 HydrophobicContact CB-CG2 3.87Å; I249-I319 HydrophobicContact CD1-CD1 4.14Å; I249-I319 HydrophobicContact CD1-CG1 4.27Å; I249-I319 HydrophobicContact CD1-CG2 3.84Å; I249-I319 HydrophobicContact CG1-CG2 4.34Å; I249-I319 HydrophobicContact CG2-CG2 3.99Å; I249-T321 HydrophobicContact CG2-CG2 4.28Å
250A97Very high96.3Very high22 Ų2230.4 Ų30.418%0.18218%0.178CC..EExtended strand (participates in β ladder)trans-107.2135.3167.600000110.9H254 I255 V320A250-H254 CarbonylContact C-O 3.44Å; A250-H254 VanDerWaalsContact CA-O 3.29Å; A250-H254 WeakPolarHBondContact CA-O 3.34Å; A250-I255 HydrophobicContact CB-CD1 4.3Å; A250-V320 HydrophobicContact CB-CB 4.23Å; A250-V320 PolarHBondContact N-O 3.23Å; A250-V320 PolarHBondContact O-N 3.05Å
251V96.3Very high96.5Very high0 Ų030.4 Ų30.40%018%0.178CC..EExtended strand (participates in β ladder)trans-132.5124.1177.3177.50000107.4I249 G253 H254 V256 L310 P316 I319I249-V251 HydrophobicContact CD1-CG2 4.04Å; I249-V251 HydrophobicContact CG1-CG2 4.23Å; V251-G253 PolarHBondContact O-N 3.09Å; V251-G253 VanDerWaalsContact O-N 3.11Å; V251-H254 PolarHBondContact N-O 2.81Å; V251-H254 WeakPolarHBondContact O-CB 3.26Å; V251-H254 PolarHBondContact O-N 3.1Å; V251-V256 HydrophobicContact CB-CG2 4.26Å; V251-V256 HydrophobicContact CG2-CG2 4.16Å; V251-L310 HydrophobicContact CB-CD2 4.06Å; V251-L310 HydrophobicContact CG1-CD2 3.9Å; V251-P316 HydrophobicContact CB-CB 4.48Å; V251-P316 HydrophobicContact CG1-CB 3.53Å; V251-P316 HydrophobicContact CG1-CG 4.05Å; V251-P316 HydrophobicContact CG2-CB 4.08Å; V251-P316 HydrophobicContact CG2-CG 3.82Å; V251-I319 HydrophobicContact CG2-CG1 4.35Å
252E93.5Very high96.6Very high81 Ų8131.2 Ų31.238%0.37918%0.181SC..THydrogen-bonded Turntrans48.837.1-174.4-59.1178.5170.600113H254 R305 K312 D318E252-H254 VanDerWaalsContact C-N 3.26Å; E252-H254 PolarHBondContact O-CE1 3.33Å; E252-H254 PolarHBondContact O-N 3.36Å; E252-H254 PolarHBondContact O-ND1 2.88Å; E252-R305 IonicContact OE2-CZ 2.63Å; E252-R305 IonicContact OE2-NH1 2.68Å; E252-R305 PolarHBondContact OE2-NH1 3.39Å; E252-R305 IonicContact OE2-NH2 2.77Å; E252-R305 PolarHBondContact OE2-NH2 2.86Å; E252-R305 VanDerWaalsContact OE2-NH2 3.07Å; E252-K312 WeakPolarHBondContact OE1-CE 3.39Å; E252-K312 IonicContact OE1-NZ 2.92Å; E252-K312 PolarHBondContact OE1-NZ 2.89Å; E252-K312 IonicContact OE2-NZ 3.63Å; E252-D318 VanDerWaalsContact CG-OD2 3.25Å; E252-D318 WeakPolarHBondContact CG-OD2 3.24Å; E252-D318 PolarHBondContact N-OD2 3.21Å
253G92.2Very high96.6Very high74 Ų7431.5 Ų31.576%0.76319%0.187SC*.THydrogen-bonded Turntrans760.9-177.400000115.9V251V251-G253 PolarHBondContact O-N 3.09Å; V251-G253 VanDerWaalsContact O-N 3.11Å
254H95.2Very high96.4Very high51 Ų5133 Ų3324%0.23620%0.197CC..EExtended strand (participates in β ladder)trans-102.3135.5179.3-62.471.2000110.7A250 V251 E252 L310A250-H254 CarbonylContact C-O 3.44Å; A250-H254 VanDerWaalsContact CA-O 3.29Å; A250-H254 WeakPolarHBondContact CA-O 3.34Å; V251-H254 PolarHBondContact N-O 2.81Å; V251-H254 WeakPolarHBondContact O-CB 3.26Å; V251-H254 PolarHBondContact O-N 3.1Å; E252-H254 VanDerWaalsContact C-N 3.26Å; E252-H254 PolarHBondContact O-CE1 3.33Å; E252-H254 PolarHBondContact O-N 3.36Å; E252-H254 PolarHBondContact O-ND1 2.88Å; H254-L310 HydrophobicContact CB-CD2 4.49Å
255I96.8Very high96.4Very high86 Ų8632.5 Ų32.544%0.44120%0.195SC..EExtended strand (participates in β ladder)trans-70138.4174.1-58-59.6000109.8P248 I249 A250 P288P248-I255 HydrophobicContact CB-CG2 3.89Å; I249-I255 CarbonylContact O-C 3.54Å; I249-I255 WeakPolarHBondContact O-CA 3.32Å; A250-I255 HydrophobicContact CB-CD1 4.3Å; I255-P288 WeakPolarHBondContact O-CB 3.45Å
256V98Very high96.4Very high0 Ų032.5 Ų32.50%019%0.194CC..EExtended strand (participates in β ladder)trans-130.8117.2176.8176.40000107.8L245 P248 I249 V251 W258 I259 L290 L310L245-V256 HydrophobicContact CD1-CG1 4.32Å; L245-V256 WeakPolarHBondContact CD1-O 3.48Å; P248-V256 WeakPolarHBondContact CA-O 3.47Å; I249-V256 HydrophobicContact CG1-CB 3.96Å; I249-V256 HydrophobicContact CG1-CG1 4.44Å; I249-V256 PolarHBondContact N-O 3.01Å; I249-V256 PolarHBondContact O-N 2.83Å; V251-V256 HydrophobicContact CB-CG2 4.26Å; V251-V256 HydrophobicContact CG2-CG2 4.16Å; V256-W258 WeakPolarHBondContact CG1-O 3.41Å; V256-I259 HydrophobicContact CG1-CG1 4.02Å; V256-L290 HydrophobicContact CB-CB 4.46Å; V256-L290 HydrophobicContact CG1-CB 3.53Å; V256-L290 HydrophobicContact CG2-CB 4.03Å; V256-L310 HydrophobicContact CG2-CD2 4.35Å
257H97.9Very high96.5Very high47 Ų4727.5 Ų27.522%0.21817%0.171CC..EExtended strand (participates in β ladder)trans-108.7-31.3176.5-176.6-157.2000112.6L245 P248 F286 P288L245-H257 WeakPolarHBondContact CB-O 3.47Å; L245-H257 PolarHBondContact N-O 3.34Å; L245-H257 PolarHBondContact O-CD2 2.89Å; L245-H257 PolarHBondContact O-NE2 2.91Å; P248-H257 HydrophobicContact CB-CB 4.31Å; P248-H257 HydrophobicContact CG-CB 4.15Å; H257-F286 PolarHBondContact ND1-O 3.46Å; H257-P288 WeakPolarHBondContact CB-O 3.36Å; H257-P288 PolarHBondContact N-O 3.02Å
258W98.3Very high96.5Very high0 Ų026.6 Ų26.60%016%0.164CC..EExtended strand (participates in β ladder)trans-125.4153.2173.959.7-87.8000111.1P241 I243 I244 V256 E260 F279 Y282 G287 G289 L290 V291 I309P241-W258 HydrophobicContact CB-CB 4.16Å; P241-W258 HydrophobicContact CB-CD2 4.48Å; P241-W258 HydrophobicContact CB-CE3 4.08Å; P241-W258 HydrophobicContact CG-CB 3.88Å; P241-W258 HydrophobicContact CG-CG 4.47Å; I243-W258 CarbonylContact O-C 3.58Å; I243-W258 VanDerWaalsContact O-CA 3.27Å; I243-W258 WeakPolarHBondContact O-CA 3.24Å; I243-W258 WeakPolarHBondContact O-CB 3.41Å; I244-W258 HydrophobicContact CG1-CB 4.3Å; V256-W258 WeakPolarHBondContact CG1-O 3.41Å; W258-E260 HydrophobicContact CE3-CB 4.19Å; W258-E260 HydrophobicContact CZ3-CB 3.74Å; W258-F279 HydrophobicContact CH2-CB 4.07Å; W258-F279 HydrophobicContact CH2-CD1 4.19Å; W258-F279 HydrophobicContact CH2-CG 4.29Å; W258-F279 HydrophobicContact CZ3-CD1 4.49Å; W258-Y282 HydrophobicContact CD2-CD2 4.34Å; W258-Y282 AromaticContact CE3-CD2 3.95Å; W258-Y282 HydrophobicContact CE3-CD2 3.95Å; W258-Y282 AromaticContact CH2-CD2 3.93Å; W258-Y282 HydrophobicContact CH2-CD2 3.93Å; W258-Y282 HydrophobicContact CZ2-CD2 4.29Å; W258-Y282 AromaticContact CZ3-CD2 3.75Å; W258-Y282 HydrophobicContact CZ3-CD2 3.75Å; W258-G287 PolarHBondContact NE1-O 3.44Å; W258-G289 CarbonylContact O-C 3.6Å; W258-G289 VanDerWaalsContact O-CA 3.25Å; W258-G289 WeakPolarHBondContact O-CA 3.43Å; W258-L290 PolarHBondContact O-N 2.81Å; W258-V291 HydrophobicContact CH2-CG2 4.11Å; W258-V291 HydrophobicContact CZ3-CG2 4.09Å; W258-I309 HydrophobicContact CH2-CD1 3.97Å; W258-I309 HydrophobicContact CZ2-CD1 3.53Å
259I98.6Very high96.4Very high0 Ų030.1 Ų30.10%018%0.177CC..EExtended strand (participates in β ladder)trans-126.8133176.2-48.8178.9000109.1L215 L219 I243 L245 V256 L290 I292L215-I259 HydrophobicContact CD1-CD1 4.41Å; L215-I259 HydrophobicContact CD1-CG2 4.19Å; L215-I259 HydrophobicContact CD2-CB 4.38Å; L215-I259 HydrophobicContact CD2-CG2 3.9Å; L219-I259 HydrophobicContact CD2-CD1 4.13Å; I243-I259 HydrophobicContact CB-CB 4.18Å; I243-I259 PolarHBondContact N-O 3.37Å; I243-I259 VanDerWaalsContact N-O 3.08Å; I243-I259 PolarHBondContact O-N 3.16Å; L245-I259 HydrophobicContact CD1-CD1 4.43Å; L245-I259 HydrophobicContact CD2-CD1 4.5Å; V256-I259 HydrophobicContact CG1-CG1 4.02Å; I259-L290 CarbonylContact C-O 3.29Å; I259-L290 VanDerWaalsContact CA-O 3.27Å; I259-L290 WeakPolarHBondContact CA-O 3.45Å; I259-L290 HydrophobicContact CD1-CD2 4.47Å; I259-L290 HydrophobicContact CG1-CB 4.39Å; I259-L290 HydrophobicContact CG1-CD2 4.5Å; I259-L290 HydrophobicContact CG2-CB 4.48Å; I259-L290 HydrophobicContact CG2-CD2 4.31Å; I259-L290 HydrophobicContact CG2-CG 4.32Å; I259-I292 HydrophobicContact CG2-CD1 3.8Å; I259-I292 HydrophobicContact CG2-CG1 4.07Å
260E98.2Very high96.2Very high8 Ų830.5 Ų30.54%0.03718%0.18CC..EExtended strand (participates in β ladder)trans-114.7128.2171.3-179.379.5-154.800110.2W258 K262 F279 Y282 L290 V291 I292W258-E260 HydrophobicContact CE3-CB 4.19Å; W258-E260 HydrophobicContact CZ3-CB 3.74Å; E260-K262 HydrophobicContact CG-CD 4.15Å; E260-K262 HydrophobicContact CG-CG 4.31Å; E260-K262 WeakPolarHBondContact OE1-CE 3.37Å; E260-K262 IonicContact OE1-NZ 3.07Å; E260-K262 PolarHBondContact OE1-NZ 3.38Å; E260-F279 HydrophobicContact CB-CE1 4.46Å; E260-F279 HydrophobicContact CG-CE1 3.94Å; E260-Y282 WeakPolarHBondContact OE2-CE2 3.31Å; E260-L290 PolarHBondContact N-O 3.43Å; E260-V291 HydrophobicContact CB-CG2 4.36Å; E260-V291 CarbonylContact O-C 3.57Å; E260-V291 WeakPolarHBondContact O-CA 3.33Å; E260-I292 PolarHBondContact O-N 2.97Å
261S97Very high96.1Very high9 Ų929.8 Ų29.86%0.06317%0.172CC..EExtended strand (participates in β ladder)trans-98.2113.1-178.8-179.10000110.3D242 W294D242-S261 WeakPolarHBondContact OD2-CA 3.41Å; D242-S261 VanDerWaalsContact OD2-CB 3.27Å; D242-S261 WeakPolarHBondContact OD2-CB 3.48Å; D242-S261 PolarHBondContact OD2-N 2.98Å; S261-W294 PolarHBondContact OG-NE1 3.42Å
262K95.8Very high96.1Very high16 Ų1638.3 Ų38.37%0.0721%0.205CC..EExtended strand (participates in β ladder)trans-114.7105.5175.6-62.5-55.4-169.7-160.50110.2E260 S264 V291 I292 Y293 W294E260-K262 HydrophobicContact CG-CD 4.15Å; E260-K262 HydrophobicContact CG-CG 4.31Å; E260-K262 WeakPolarHBondContact OE1-CE 3.37Å; E260-K262 IonicContact OE1-NZ 3.07Å; E260-K262 PolarHBondContact OE1-NZ 3.38Å; K262-S264 PolarHBondContact O-N 3.12Å; K262-V291 HydrophobicContact CG-CG1 4.05Å; K262-I292 PolarHBondContact N-O 3.42Å; K262-Y293 HydrophobicContact CB-CD1 3.66Å; K262-Y293 HydrophobicContact CB-CE1 3.81Å; K262-Y293 HydrophobicContact CB-CG 4.47Å; K262-Y293 HydrophobicContact CG-CD1 4.34Å; K262-Y293 HydrophobicContact CG-CE1 4.03Å; K262-Y293 WeakPolarHBondContact O-CA 3.39Å; K262-W294 PolarHBondContact O-N 2.98Å
263A95.3Very high96.1Very high26 Ų2635.8 Ų35.822%0.21520%0.195CC..  trans-79.944.7175.700000112.7I207 A211 H295I207-A263 HydrophobicContact CG2-CB 3.93Å; A211-A263 HydrophobicContact CB-CB 3.8Å; A263-H295 PolarHBondContact O-CE1 2.86Å; A263-H295 PolarHBondContact O-ND1 3.37Å
264S94.5Very high96.3Very high32 Ų3233.2 Ų33.222%0.22416%0.162CC..SBendtrans-146.4163.9-176.263.50000110.4S42 K262 Y293S42-S264 WeakPolarHBondContact OG-CA 3.36Å; K262-S264 PolarHBondContact O-N 3.12Å; S264-Y293 WeakPolarHBondContact O-CD1 3.22Å
265F97.3Very high96.3Very high1 Ų131.7 Ų31.70%0.00416%0.156CC..  trans-75.4132.2172.6-170-93.5000111L3 Y8 T39 S42 I43 D267 H295 G296 I298L3-F265 HydrophobicContact CB-CZ 4.33Å; L3-F265 HydrophobicContact CD1-CE2 4.03Å; L3-F265 HydrophobicContact CD1-CZ 4.49Å; L3-F265 HydrophobicContact CD2-CE2 3.99Å; L3-F265 HydrophobicContact CD2-CZ 3.95Å; L3-F265 HydrophobicContact CG-CE2 4.46Å; L3-F265 HydrophobicContact CG-CZ 4.5Å; Y8-F265 HydrophobicContact CD2-CD1 4.33Å; Y8-F265 AromaticContact CD2-CE1 3.51Å; Y8-F265 HydrophobicContact CD2-CE1 3.51Å; Y8-F265 HydrophobicContact CD2-CZ 4.05Å; Y8-F265 HydrophobicContact CE2-CD1 4.23Å; Y8-F265 AromaticContact CE2-CE1 3.81Å; Y8-F265 HydrophobicContact CE2-CE1 3.81Å; Y8-F265 HydrophobicContact CG-CE1 4.34Å; T39-F265 HydrophobicContact CG2-CD2 3.96Å; T39-F265 HydrophobicContact CG2-CE2 3.98Å; S42-F265 PolarHBondContact OG-N 3.12Å; I43-F265 HydrophobicContact CD1-CD1 4.42Å; I43-F265 HydrophobicContact CD1-CD2 3.92Å; I43-F265 HydrophobicContact CD1-CE1 4.29Å; I43-F265 HydrophobicContact CD1-CE2 3.79Å; I43-F265 HydrophobicContact CD1-CG 4.24Å; I43-F265 HydrophobicContact CD1-CZ 3.99Å; I43-F265 HydrophobicContact CG1-CB 4.05Å; I43-F265 HydrophobicContact CG1-CD1 3.7Å; I43-F265 HydrophobicContact CG1-CD2 3.66Å; I43-F265 HydrophobicContact CG1-CE1 4.03Å; I43-F265 HydrophobicContact CG1-CE2 4Å; I43-F265 HydrophobicContact CG1-CG 3.51Å; I43-F265 HydrophobicContact CG1-CZ 4.18Å; F265-D267 HydrophobicContact CD1-CB 4.44Å; F265-H295 WeakPolarHBondContact CD2-O 3.43Å; F265-G296 CarbonylContact C-O 3.49Å; F265-G296 VanDerWaalsContact CA-O 3.25Å; F265-G296 WeakPolarHBondContact CA-O 3.46Å; F265-G296 VanDerWaalsContact CD2-C 3.49Å; F265-G296 VanDerWaalsContact CD2-O 3.28Å; F265-G296 WeakPolarHBondContact CD2-O 3.42Å; F265-I298 HydrophobicContact CE1-CG1 3.91Å; F265-I298 HydrophobicContact CZ-CG1 4.18Å
266G97.4Very high96.1Very high0 Ų032.7 Ų32.70%016%0.162CC..BIsolated β-bridgetrans-87.6105176.200000112.3G296 F297 I298 L301G266-G296 PolarHBondContact N-O 3.34Å; G266-F297 VanDerWaalsContact O-CA 3.3Å; G266-F297 WeakPolarHBondContact O-CA 3.33Å; G266-F297 WeakPolarHBondContact O-CB 3.49Å; G266-I298 PolarHBondContact O-N 3.37Å; G266-L301 WeakPolarHBondContact O-CD1 3.12Å
267D97.3Very high95.8Very high4 Ų436.6 Ų36.62%0.02118%0.18CC..  trans-105.8174.2171.786.7-54.9000112Y8 L46 K50 F265 H269 S270 H271 I298Y8-D267 HydrophobicContact CE1-CB 4.48Å; Y8-D267 HydrophobicContact CE2-CB 4.28Å; L46-D267 HydrophobicContact CD2-CB 3.82Å; K50-D267 WeakPolarHBondContact CE-OD2 3.13Å; K50-D267 IonicContact NZ-OD2 3.34Å; K50-D267 PolarHBondContact NZ-OD2 3.31Å; F265-D267 HydrophobicContact CD1-CB 4.44Å; D267-H269 VanDerWaalsContact C-N 3.31Å; D267-H269 PolarHBondContact O-N 2.95Å; D267-H269 WeakPolarHBondContact OD2-CB 3.38Å; D267-H269 PolarHBondContact OD2-N 3.44Å; D267-S270 PolarHBondContact N-OG 3.08Å; D267-S270 PolarHBondContact O-OG 3.14Å; D267-S270 WeakPolarHBondContact OD1-CB 3.32Å; D267-S270 PolarHBondContact OD1-N 3.32Å; D267-S270 PolarHBondContact OD1-OG 3.45Å; D267-H271 WeakPolarHBondContact O-CB 3.45Å; D267-H271 PolarHBondContact O-N 2.75Å; D267-I298 HydrophobicContact CB-CD1 4.17Å
268D96.3Very high95.6Very high60 Ų6035 Ų3532%0.32117%0.173SC..Hα-helixtrans-54.9-43.1178.3-68.3-83000114.2R5 R272 I298R5-D268 IonicContact CZ-OD1 3.79Å; R5-D268 IonicContact CZ-OD2 3.63Å; R5-D268 IonicContact NH1-OD1 2.69Å; R5-D268 PolarHBondContact NH1-OD1 2.94Å; R5-D268 IonicContact NH1-OD2 3.17Å; R5-D268 PolarHBondContact NH1-OD2 3.35Å; R5-D268 IonicContact NH2-OD1 3.81Å; R5-D268 PolarHBondContact NH2-OD1 2.99Å; R5-D268 IonicContact NH2-OD2 2.7Å; D268-R272 WeakPolarHBondContact O-CB 3.5Å; D268-R272 PolarHBondContact O-N 3.33Å; D268-R272 VanDerWaalsContact O-N 3.11Å; D268-I298 WeakPolarHBondContact OD2-CD1 3.48Å
269H93.8Very high95.5Very high113 Ų11335 Ų3552%0.52317%0.173SC..Hα-helixtrans-72.3-50.4-174.4-179.169.5000111.5D267 T273D267-H269 VanDerWaalsContact C-N 3.31Å; D267-H269 PolarHBondContact O-N 2.95Å; D267-H269 WeakPolarHBondContact OD2-CB 3.38Å; D267-H269 PolarHBondContact OD2-N 3.44Å; H269-T273 WeakPolarHBondContact O-CB 3.36Å; H269-T273 PolarHBondContact O-N 2.91Å; H269-T273 VanDerWaalsContact O-N 3.1Å; H269-T273 PolarHBondContact O-OG1 3.21Å
270S93.1Very high95.4Very high11 Ų1137.1 Ų37.18%0.07718%0.181CC..Hα-helixtrans-65.2-46.4179.361.50000111.2D267 R272 T273 Y274D267-S270 PolarHBondContact N-OG 3.08Å; D267-S270 PolarHBondContact O-OG 3.14Å; D267-S270 WeakPolarHBondContact OD1-CB 3.32Å; D267-S270 PolarHBondContact OD1-N 3.32Å; D267-S270 PolarHBondContact OD1-OG 3.45Å; S270-R272 PolarHBondContact O-N 3.44Å; S270-T273 WeakPolarHBondContact O-CB 3.39Å; S270-T273 PolarHBondContact O-N 3.27Å; S270-T273 VanDerWaalsContact O-N 3.08Å; S270-Y274 WeakPolarHBondContact O-CD2 3.35Å; S270-Y274 PolarHBondContact O-N 3.44Å
271H95.9Very high95.3Very high6 Ų638 Ų383%0.02819%0.188CC..Hα-helixtrans-61.7-44.7-179.3-173.466.1000112.1D267 T273 Y274 L275 F279 Y293 L301D267-H271 WeakPolarHBondContact O-CB 3.45Å; D267-H271 PolarHBondContact O-N 2.75Å; H271-T273 VanDerWaalsContact C-N 3.27Å; H271-T273 PolarHBondContact O-N 2.83Å; H271-Y274 PolarHBondContact O-N 3.04Å; H271-L275 WeakPolarHBondContact NE2-CD1 3.25Å; H271-L275 WeakPolarHBondContact O-CB 3.4Å; H271-L275 WeakPolarHBondContact O-CG 3.49Å; H271-L275 PolarHBondContact O-N 2.91Å; H271-F279 AromaticContact CE1-CE2 3.93Å; H271-F279 AromaticContact ND1-CE2 3.94Å; H271-Y293 AromaticContact ND1-CE2 3.83Å; H271-Y293 AromaticContact ND1-CZ 3.79Å; H271-Y293 PolarHBondContact ND1-OH 3.22Å; H271-L301 HydrophobicContact CB-CD1 3.9Å; H271-L301 HydrophobicContact CB-CD2 4.32Å
272R95.8Very high95.3Very high180 Ų18038.4 Ų38.468%0.67919%0.188SC*.Hα-helixtrans-60.4-38.2174.2179.1176.3171.3170.1-0.5112.1D268 S270 N276D268-R272 WeakPolarHBondContact O-CB 3.5Å; D268-R272 PolarHBondContact O-N 3.33Å; D268-R272 VanDerWaalsContact O-N 3.11Å; S270-R272 PolarHBondContact O-N 3.44Å; R272-N276 PolarHBondContact O-N 3.11Å; R272-N276 PolarHBondContact O-ND2 2.88Å
273T94.3Very high95.3Very high27 Ų2742.1 Ų42.117%0.16620%0.202CC..Hα-helixtrans-65-48.8177-56.10000110.2H269 S270 H271 L275 N276 E277H269-T273 WeakPolarHBondContact O-CB 3.36Å; H269-T273 PolarHBondContact O-N 2.91Å; H269-T273 VanDerWaalsContact O-N 3.1Å; H269-T273 PolarHBondContact O-OG1 3.21Å; S270-T273 WeakPolarHBondContact O-CB 3.39Å; S270-T273 PolarHBondContact O-N 3.27Å; S270-T273 VanDerWaalsContact O-N 3.08Å; H271-T273 VanDerWaalsContact C-N 3.27Å; H271-T273 PolarHBondContact O-N 2.83Å; T273-L275 PolarHBondContact O-N 2.94Å; T273-N276 PolarHBondContact O-N 3.48Å; T273-E277 HydrophobicContact CG2-CG 4.26Å; T273-E277 WeakPolarHBondContact CG2-OE1 3.4Å; T273-E277 WeakPolarHBondContact O-CB 3.26Å; T273-E277 WeakPolarHBondContact O-CG 3.49Å; T273-E277 PolarHBondContact O-N 3.09Å
274Y94.9Very high95.4Very high20 Ų2046.5 Ų46.58%0.07822%0.221CC..Hα-helixtrans-63.4-38.6178.2-61.7-48.2000113.5S139 S270 H271 N276 Q278 F279S139-Y274 WeakPolarHBondContact O-CE1 3.31Å; S270-Y274 WeakPolarHBondContact O-CD2 3.35Å; S270-Y274 PolarHBondContact O-N 3.44Å; H271-Y274 PolarHBondContact O-N 3.04Å; Y274-N276 VanDerWaalsContact C-N 3.31Å; Y274-N276 PolarHBondContact O-N 2.96Å; Y274-Q278 CarbonylContact O-C 3.49Å; Y274-Q278 WeakPolarHBondContact O-CA 3.39Å; Y274-Q278 WeakPolarHBondContact O-CB 3.38Å; Y274-Q278 PolarHBondContact O-N 3.04Å; Y274-F279 VanDerWaalsContact CB-CE2 3.47Å; Y274-F279 HydrophobicContact CD2-CZ 4.3Å; Y274-F279 HydrophobicContact CG-CE2 4.46Å; Y274-F279 HydrophobicContact CG-CZ 4Å; Y274-F279 PolarHBondContact O-N 3.37Å
275L95Very high95.4Very high20 Ų2050.1 Ų50.111%0.10523%0.23CC..Iπ-helixtrans-54-50.1173.6-82.5170.4000111.2H271 T273 F279 W280H271-L275 WeakPolarHBondContact NE2-CD1 3.25Å; H271-L275 WeakPolarHBondContact O-CB 3.4Å; H271-L275 WeakPolarHBondContact O-CG 3.49Å; H271-L275 PolarHBondContact O-N 2.91Å; T273-L275 PolarHBondContact O-N 2.94Å; L275-F279 HydrophobicContact CD2-CB 4.26Å; L275-F279 HydrophobicContact CD2-CD2 3.92Å; L275-F279 HydrophobicContact CG-CD2 4.1Å; L275-W280 HydrophobicContact CD2-CZ2 4.12Å; L275-W280 WeakPolarHBondContact O-CB 3.34Å; L275-W280 PolarHBondContact O-N 2.83Å
276N93.7Very high95.3Very high106 Ų10651.4 Ų51.457%0.56724%0.236SC*.Iπ-helixtrans-75.6-37.1-175.4-67-43.1000113.2R272 T273 Y274R272-N276 PolarHBondContact O-N 3.11Å; R272-N276 PolarHBondContact O-ND2 2.88Å; T273-N276 PolarHBondContact O-N 3.48Å; Y274-N276 VanDerWaalsContact C-N 3.31Å; Y274-N276 PolarHBondContact O-N 2.96Å
277E91.8Very high95.2Very high82 Ų8252.4 Ų52.438%0.38325%0.246SC..Iπ-helixtrans-90-26.3-173.8-65.8-172.8-174.900113.7Q140 T273Q140-E277 PolarHBondContact NE2-OE2 3.04Å; T273-E277 HydrophobicContact CG2-CG 4.26Å; T273-E277 WeakPolarHBondContact CG2-OE1 3.4Å; T273-E277 WeakPolarHBondContact O-CB 3.26Å; T273-E277 WeakPolarHBondContact O-CG 3.49Å; T273-E277 PolarHBondContact O-N 3.09Å
278Q93.8Very high95.3Very high15 Ų1554.4 Ų54.47%0.0726%0.259CS..Iπ-helixtrans-130.1-67.1-169.4-66.517043.900111.7S139 Y274 W280 S281 Y282S139-Q278 PolarHBondContact O-NE2 3.31Å; Y274-Q278 CarbonylContact O-C 3.49Å; Y274-Q278 WeakPolarHBondContact O-CA 3.39Å; Y274-Q278 WeakPolarHBondContact O-CB 3.38Å; Y274-Q278 PolarHBondContact O-N 3.04Å; Q278-W280 PolarHBondContact O-N 2.99Å; Q278-S281 WeakPolarHBondContact O-CA 3.39Å; Q278-S281 VanDerWaalsContact O-CB 3.31Å; Q278-S281 WeakPolarHBondContact O-CB 3.39Å; Q278-S281 PolarHBondContact O-N 3.32Å; Q278-Y282 HydrophobicContact CB-CE2 3.86Å; Q278-Y282 PolarHBondContact O-N 3.43Å
279F96.5Very high95.4Very high0 Ų051.6 Ų51.60%024%0.244CC..Iπ-helixtrans-64.8-41.6-161.3-52.6-21.6000113.2W258 E260 H271 Y274 L275 S281 Y282 W283 V291 I309W258-F279 HydrophobicContact CH2-CB 4.07Å; W258-F279 HydrophobicContact CH2-CD1 4.19Å; W258-F279 HydrophobicContact CH2-CG 4.29Å; W258-F279 HydrophobicContact CZ3-CD1 4.49Å; E260-F279 HydrophobicContact CB-CE1 4.46Å; E260-F279 HydrophobicContact CG-CE1 3.94Å; H271-F279 AromaticContact CE1-CE2 3.93Å; H271-F279 AromaticContact ND1-CE2 3.94Å; Y274-F279 VanDerWaalsContact CB-CE2 3.47Å; Y274-F279 HydrophobicContact CD2-CZ 4.3Å; Y274-F279 HydrophobicContact CG-CE2 4.46Å; Y274-F279 HydrophobicContact CG-CZ 4Å; Y274-F279 PolarHBondContact O-N 3.37Å; L275-F279 HydrophobicContact CD2-CB 4.26Å; L275-F279 HydrophobicContact CD2-CD2 3.92Å; L275-F279 HydrophobicContact CG-CD2 4.1Å; F279-S281 PolarHBondContact O-N 2.99Å; F279-Y282 HydrophobicContact CD1-CD2 4.3Å; F279-Y282 HydrophobicContact CD1-CE2 4.28Å; F279-Y282 PolarHBondContact O-N 3.12Å; F279-W283 WeakPolarHBondContact O-CB 3.31Å; F279-W283 PolarHBondContact O-N 3.38Å; F279-V291 HydrophobicContact CD1-CG2 4.19Å; F279-V291 HydrophobicContact CD2-CG2 3.98Å; F279-V291 HydrophobicContact CE1-CG1 4.41Å; F279-V291 HydrophobicContact CE1-CG2 3.96Å; F279-V291 HydrophobicContact CE2-CB 4.47Å; F279-V291 HydrophobicContact CE2-CG1 4.16Å; F279-V291 HydrophobicContact CE2-CG2 3.71Å; F279-V291 HydrophobicContact CG-CG2 4.22Å; F279-V291 HydrophobicContact CZ-CB 4.34Å; F279-V291 HydrophobicContact CZ-CG1 3.71Å; F279-V291 HydrophobicContact CZ-CG2 3.68Å; F279-I309 HydrophobicContact CB-CD1 4.18Å
280W96.4Very high95.6Very high44 Ų4446.2 Ų46.217%0.16722%0.219CC..Hα-helixtrans-64.9-31.4175.2-71.2130.8000112.7L275 Q278 W283 N284 Q304 R307 I309L275-W280 HydrophobicContact CD2-CZ2 4.12Å; L275-W280 WeakPolarHBondContact O-CB 3.34Å; L275-W280 PolarHBondContact O-N 2.83Å; Q278-W280 PolarHBondContact O-N 2.99Å; W280-W283 HydrophobicContact CE3-CB 4.16Å; W280-W283 HydrophobicContact CE3-CD2 4.37Å; W280-W283 HydrophobicContact CE3-CE3 4.43Å; W280-W283 HydrophobicContact CE3-CG 4.25Å; W280-W283 HydrophobicContact CZ3-CD2 4.37Å; W280-W283 HydrophobicContact CZ3-CG 4.3Å; W280-W283 PolarHBondContact O-N 2.89Å; W280-N284 WeakPolarHBondContact O-CB 3.39Å; W280-N284 PolarHBondContact O-N 2.63Å; W280-N284 PolarHBondContact O-ND2 3.38Å; W280-N284 VanDerWaalsContact O-ND2 3.1Å; W280-Q304 HydrophobicContact CZ2-CG 4.45Å; W280-R307 HydrophobicContact CH2-CB 3.83Å; W280-R307 VanDerWaalsContact CH2-CZ 3.44Å; W280-R307 VanDerWaalsContact CZ2-CZ 3.47Å; W280-R307 HydrophobicContact CZ3-CB 4.33Å; W280-I309 HydrophobicContact CE3-CG1 4.46Å; W280-I309 HydrophobicContact CH2-CG1 4.04Å; W280-I309 HydrophobicContact CZ3-CG1 3.9Å
281S95.5Very high95.8Very high26 Ų2645.7 Ų45.718%0.18222%0.216CC..Hα-helixtrans-71.7-32.9175.5-1700000112.5K239 Q278 F279 R285K239-S281 WeakPolarHBondContact CE-OG 3.28Å; K239-S281 VanDerWaalsContact CG-OG 3.28Å; K239-S281 WeakPolarHBondContact CG-OG 3.47Å; Q278-S281 WeakPolarHBondContact O-CA 3.39Å; Q278-S281 VanDerWaalsContact O-CB 3.31Å; Q278-S281 WeakPolarHBondContact O-CB 3.39Å; Q278-S281 PolarHBondContact O-N 3.32Å; F279-S281 PolarHBondContact O-N 2.99Å; S281-R285 WeakPolarHBondContact O-CD 3.35Å; S281-R285 VanDerWaalsContact O-CG 3.3Å; S281-R285 WeakPolarHBondContact O-CG 3.31Å
282Y96.9Very high96Very high18 Ų1845.4 Ų45.47%0.07121%0.214CC..Hα-helixtrans-69.6-45.1172.5-54.9-25.4000110K239 P241 W258 E260 Q278 F279 N284 R285 F286K239-Y282 HydrophobicContact CB-CD1 3.85Å; K239-Y282 HydrophobicContact CB-CE1 3.8Å; K239-Y282 HydrophobicContact CG-CD1 3.94Å; K239-Y282 HydrophobicContact CG-CE1 3.86Å; P241-Y282 HydrophobicContact CB-CD2 4.05Å; P241-Y282 HydrophobicContact CB-CE2 4.08Å; P241-Y282 HydrophobicContact CB-CG 4.33Å; W258-Y282 HydrophobicContact CD2-CD2 4.34Å; W258-Y282 AromaticContact CE3-CD2 3.95Å; W258-Y282 HydrophobicContact CE3-CD2 3.95Å; W258-Y282 AromaticContact CH2-CD2 3.93Å; W258-Y282 HydrophobicContact CH2-CD2 3.93Å; W258-Y282 HydrophobicContact CZ2-CD2 4.29Å; W258-Y282 AromaticContact CZ3-CD2 3.75Å; W258-Y282 HydrophobicContact CZ3-CD2 3.75Å; E260-Y282 WeakPolarHBondContact OE2-CE2 3.31Å; Q278-Y282 HydrophobicContact CB-CE2 3.86Å; Q278-Y282 PolarHBondContact O-N 3.43Å; F279-Y282 HydrophobicContact CD1-CD2 4.3Å; F279-Y282 HydrophobicContact CD1-CE2 4.28Å; F279-Y282 PolarHBondContact O-N 3.12Å; Y282-N284 PolarHBondContact O-N 2.92Å; Y282-R285 PolarHBondContact O-N 3.13Å; Y282-F286 WeakPolarHBondContact O-CD2 3.39Å; Y282-F286 PolarHBondContact O-N 2.86Å
283W96.7Very high96.1Very high94 Ų9436.8 Ų36.836%0.35618%0.182SC..Hα-helixtrans-58.7-46177.8-174.991000113.1F279 W280 R285 G287 R307 I309F279-W283 WeakPolarHBondContact O-CB 3.31Å; F279-W283 PolarHBondContact O-N 3.38Å; W280-W283 HydrophobicContact CE3-CB 4.16Å; W280-W283 HydrophobicContact CE3-CD2 4.37Å; W280-W283 HydrophobicContact CE3-CE3 4.43Å; W280-W283 HydrophobicContact CE3-CG 4.25Å; W280-W283 HydrophobicContact CZ3-CD2 4.37Å; W280-W283 HydrophobicContact CZ3-CG 4.3Å; W280-W283 PolarHBondContact O-N 2.89Å; W283-R285 PolarHBondContact O-N 3.2Å; W283-R285 VanDerWaalsContact O-N 3.09Å; W283-G287 WeakPolarHBondContact CA-O 3.42Å; W283-G287 WeakPolarHBondContact O-CA 3.44Å; W283-G287 PolarHBondContact O-N 2.72Å; W283-R307 PolarHBondContact NE1-O 2.84Å; W283-I309 HydrophobicContact CB-CD1 4.1Å; W283-I309 HydrophobicContact CG-CD1 4.46Å
284N95.6Very high96.2Very high117 Ų11737.8 Ų37.863%0.62618%0.182SC*.Hα-helixtrans-62.3-19.3178-74.8-31.4000113.9W280 Y282W280-N284 WeakPolarHBondContact O-CB 3.39Å; W280-N284 PolarHBondContact O-N 2.63Å; W280-N284 PolarHBondContact O-ND2 3.38Å; W280-N284 VanDerWaalsContact O-ND2 3.1Å; Y282-N284 PolarHBondContact O-N 2.92Å
285R94.5Very high96.3Very high109 Ų10938.1 Ų38.141%0.41119%0.185SC..Hα-helixtrans-106.6-40.4-174.6-69.2174.2-177.3-165.7-7.1113.2D238 K239 S281 Y282 W283D238-R285 IonicContact OD1-CZ 3.37Å; D238-R285 IonicContact OD1-NH1 2.64Å; D238-R285 PolarHBondContact OD1-NH1 3.44Å; D238-R285 IonicContact OD1-NH2 3.62Å; D238-R285 IonicContact OD2-CZ 3.17Å; D238-R285 IonicContact OD2-NH1 2.85Å; D238-R285 PolarHBondContact OD2-NH1 3.24Å; D238-R285 IonicContact OD2-NH2 2.67Å; D238-R285 PolarHBondContact OD2-NH2 3.2Å; K239-R285 VanDerWaalsContact CD-NH1 3.33Å; K239-R285 VanDerWaalsContact N-NH1 3.2Å; S281-R285 WeakPolarHBondContact O-CD 3.35Å; S281-R285 VanDerWaalsContact O-CG 3.3Å; S281-R285 WeakPolarHBondContact O-CG 3.31Å; Y282-R285 PolarHBondContact O-N 3.13Å; W283-R285 PolarHBondContact O-N 3.2Å; W283-R285 VanDerWaalsContact O-N 3.09Å
286F95.8Very high96.4Very high28 Ų2837.1 Ų37.112%0.12318%0.18CC..Hα-helixtrans-116.4-8.1-171.2-49.4-60.6000111.6Y237 K239 P241 I244 H257 Y282Y237-F286 AromaticContact CD1-CE1 3.88Å; Y237-F286 HydrophobicContact CD1-CE1 3.88Å; Y237-F286 AromaticContact CD1-CZ 3.85Å; Y237-F286 HydrophobicContact CD1-CZ 3.85Å; Y237-F286 AromaticContact CE1-CE1 3.72Å; Y237-F286 HydrophobicContact CE1-CE1 3.72Å; Y237-F286 HydrophobicContact CE1-CZ 4.19Å; K239-F286 HydrophobicContact CB-CE2 4.48Å; P241-F286 HydrophobicContact CG-CD2 4.35Å; P241-F286 HydrophobicContact CG-CE2 4.24Å; I244-F286 HydrophobicContact CD1-CD1 3.66Å; I244-F286 HydrophobicContact CD1-CD2 4.1Å; I244-F286 HydrophobicContact CD1-CE1 3.48Å; I244-F286 VanDerWaalsContact CD1-CE1 3.48Å; I244-F286 HydrophobicContact CD1-CE2 3.95Å; I244-F286 HydrophobicContact CD1-CG 3.96Å; I244-F286 HydrophobicContact CD1-CZ 3.64Å; H257-F286 PolarHBondContact ND1-O 3.46Å; Y282-F286 WeakPolarHBondContact O-CD2 3.39Å; Y282-F286 PolarHBondContact O-N 2.86Å
287G96.5Very high96.6Very high20 Ų2032.1 Ų32.121%0.20615%0.153CC..  trans79.7-156.4-175.800000113W258 W283W258-G287 PolarHBondContact NE1-O 3.44Å; W283-G287 WeakPolarHBondContact CA-O 3.42Å; W283-G287 WeakPolarHBondContact O-CA 3.44Å; W283-G287 PolarHBondContact O-N 2.72Å
288P98Very high96.9Very high46 Ų4628.2 Ų28.230%0.29913%0.134SC..SBendtrans-56.6147.7-174.6-28.637.5000114.9I255 H257 G308I255-P288 WeakPolarHBondContact O-CB 3.45Å; H257-P288 WeakPolarHBondContact CB-O 3.36Å; H257-P288 PolarHBondContact N-O 3.02Å; P288-G308 CarbonylContact C-O 3.54Å; P288-G308 VanDerWaalsContact CA-O 3.22Å; P288-G308 WeakPolarHBondContact CA-O 3.35Å
289G98.1Very high97.1Very high1 Ų128.8 Ų28.81%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-156176.4-179.800000114.7W258 G308 L310W258-G289 CarbonylContact O-C 3.6Å; W258-G289 VanDerWaalsContact O-CA 3.25Å; W258-G289 WeakPolarHBondContact O-CA 3.43Å; G289-G308 PolarHBondContact N-O 3.5Å; G289-L310 PolarHBondContact O-N 3.11Å
290L98.4Very high97.2Very high0 Ų033.2 Ų33.20%017%0.165CC..EExtended strand (participates in β ladder)trans-121.1135.1-172.8171.164.2000110.2V256 W258 I259 E260 I292 L310 K312 P316V256-L290 HydrophobicContact CB-CB 4.46Å; V256-L290 HydrophobicContact CG1-CB 3.53Å; V256-L290 HydrophobicContact CG2-CB 4.03Å; W258-L290 PolarHBondContact O-N 2.81Å; I259-L290 CarbonylContact C-O 3.29Å; I259-L290 VanDerWaalsContact CA-O 3.27Å; I259-L290 WeakPolarHBondContact CA-O 3.45Å; I259-L290 HydrophobicContact CD1-CD2 4.47Å; I259-L290 HydrophobicContact CG1-CB 4.39Å; I259-L290 HydrophobicContact CG1-CD2 4.5Å; I259-L290 HydrophobicContact CG2-CB 4.48Å; I259-L290 HydrophobicContact CG2-CD2 4.31Å; I259-L290 HydrophobicContact CG2-CG 4.32Å; E260-L290 PolarHBondContact N-O 3.43Å; L290-I292 HydrophobicContact CD2-CD1 4.22Å; L290-I292 HydrophobicContact CD2-CG1 4.08Å; L290-I292 HydrophobicContact CG-CG1 4.04Å; L290-L310 CarbonylContact C-O 3.53Å; L290-L310 WeakPolarHBondContact CA-O 3.4Å; L290-L310 HydrophobicContact CD1-CB 4.1Å; L290-L310 HydrophobicContact CD1-CD2 3.99Å; L290-L310 HydrophobicContact CD1-CG 3.81Å; L290-L310 WeakPolarHBondContact CD1-O 3.44Å; L290-K312 HydrophobicContact CD1-CB 3.9Å; L290-K312 HydrophobicContact CD1-CG 3.57Å; L290-P316 HydrophobicContact CD2-CG 4.09Å
291V98.5Very high97.2Very high0 Ų031.7 Ų31.70%016%0.16CC..EExtended strand (participates in β ladder)trans-112.8127.1169.3-174.90000108.8W258 E260 K262 F279 Y293 I309 L310 L311 K312W258-V291 HydrophobicContact CH2-CG2 4.11Å; W258-V291 HydrophobicContact CZ3-CG2 4.09Å; E260-V291 HydrophobicContact CB-CG2 4.36Å; E260-V291 CarbonylContact O-C 3.57Å; E260-V291 WeakPolarHBondContact O-CA 3.33Å; K262-V291 HydrophobicContact CG-CG1 4.05Å; F279-V291 HydrophobicContact CD1-CG2 4.19Å; F279-V291 HydrophobicContact CD2-CG2 3.98Å; F279-V291 HydrophobicContact CE1-CG1 4.41Å; F279-V291 HydrophobicContact CE1-CG2 3.96Å; F279-V291 HydrophobicContact CE2-CB 4.47Å; F279-V291 HydrophobicContact CE2-CG1 4.16Å; F279-V291 HydrophobicContact CE2-CG2 3.71Å; F279-V291 HydrophobicContact CG-CG2 4.22Å; F279-V291 HydrophobicContact CZ-CB 4.34Å; F279-V291 HydrophobicContact CZ-CG1 3.71Å; F279-V291 HydrophobicContact CZ-CG2 3.68Å; V291-Y293 HydrophobicContact CG1-CD2 4.18Å; V291-Y293 HydrophobicContact CG1-CE2 3.8Å; V291-I309 HydrophobicContact CG2-CG2 4.32Å; V291-L310 PolarHBondContact N-O 3.3Å; V291-L311 HydrophobicContact CB-CD2 3.75Å; V291-L311 HydrophobicContact CG2-CD2 4.15Å; V291-L311 WeakPolarHBondContact O-CA 3.34Å; V291-K312 PolarHBondContact O-N 3.08Å
292I98.4Very high97.1Very high0 Ų031.5 Ų31.50%016%0.157CC..EExtended strand (participates in β ladder)trans-105.3112.5177.1-55.2176.2000109.1L215 I259 E260 K262 L290 W294 K312 F315L215-I292 HydrophobicContact CD1-CD1 4.05Å; I259-I292 HydrophobicContact CG2-CD1 3.8Å; I259-I292 HydrophobicContact CG2-CG1 4.07Å; E260-I292 PolarHBondContact O-N 2.97Å; K262-I292 PolarHBondContact N-O 3.42Å; L290-I292 HydrophobicContact CD2-CD1 4.22Å; L290-I292 HydrophobicContact CD2-CG1 4.08Å; L290-I292 HydrophobicContact CG-CG1 4.04Å; I292-W294 HydrophobicContact CB-CZ2 4.44Å; I292-W294 HydrophobicContact CD1-CZ2 4.27Å; I292-W294 HydrophobicContact CG2-CD2 3.75Å; I292-W294 HydrophobicContact CG2-CE3 4.07Å; I292-W294 HydrophobicContact CG2-CG 4.27Å; I292-W294 HydrophobicContact CG2-CH2 4.19Å; I292-W294 HydrophobicContact CG2-CZ2 3.86Å; I292-W294 HydrophobicContact CG2-CZ3 4.28Å; I292-K312 CarbonylContact C-O 3.51Å; I292-K312 VanDerWaalsContact CA-O 3.31Å; I292-K312 WeakPolarHBondContact CA-O 3.47Å; I292-F315 HydrophobicContact CD1-CD2 4.27Å
293Y98.2Very high97Very high0 Ų034.3 Ų34.30%018%0.179CC..EExtended strand (participates in β ladder)trans-93.795.4170.6-73.2-76.5000110.3K262 S264 H271 V291 H295 G296 F297 L311 K312 D313K262-Y293 HydrophobicContact CB-CD1 3.66Å; K262-Y293 HydrophobicContact CB-CE1 3.81Å; K262-Y293 HydrophobicContact CB-CG 4.47Å; K262-Y293 HydrophobicContact CG-CD1 4.34Å; K262-Y293 HydrophobicContact CG-CE1 4.03Å; K262-Y293 WeakPolarHBondContact O-CA 3.39Å; S264-Y293 WeakPolarHBondContact O-CD1 3.22Å; H271-Y293 AromaticContact ND1-CE2 3.83Å; H271-Y293 AromaticContact ND1-CZ 3.79Å; H271-Y293 PolarHBondContact ND1-OH 3.22Å; V291-Y293 HydrophobicContact CG1-CD2 4.18Å; V291-Y293 HydrophobicContact CG1-CE2 3.8Å; Y293-H295 PolarHBondContact O-N 3.23Å; Y293-G296 WeakPolarHBondContact CB-O 3.23Å; Y293-G296 WeakPolarHBondContact O-CA 3.41Å; Y293-G296 PolarHBondContact O-N 3.27Å; Y293-F297 HydrophobicContact CD2-CB 3.83Å; Y293-F297 HydrophobicContact CD2-CD1 4.18Å; Y293-F297 HydrophobicContact CD2-CG 4.04Å; Y293-F297 HydrophobicContact CE2-CB 4.5Å; Y293-F297 HydrophobicContact CG-CB 3.99Å; Y293-L311 HydrophobicContact CE2-CD1 4.38Å; Y293-L311 HydrophobicContact CE2-CD2 4.24Å; Y293-K312 PolarHBondContact N-O 3.31Å; Y293-D313 WeakPolarHBondContact O-CA 3.46Å
294W97.3Very high96.8Very high47 Ų4731.6 Ų31.618%0.17817%0.171CC..THydrogen-bonded Turntrans-63.9-26.8-172.1-63.1101.5000114.4A211 L214 L215 S261 K262 I292 F315A211-W294 HydrophobicContact CB-CD2 4.46Å; A211-W294 HydrophobicContact CB-CG 4.1Å; L214-W294 HydrophobicContact CD2-CE3 4.2Å; L214-W294 HydrophobicContact CD2-CH2 3.94Å; L214-W294 HydrophobicContact CD2-CZ3 3.67Å; L214-W294 HydrophobicContact CG-CH2 4.21Å; L214-W294 HydrophobicContact CG-CZ3 4.41Å; L215-W294 HydrophobicContact CB-CZ2 4.19Å; S261-W294 PolarHBondContact OG-NE1 3.42Å; K262-W294 PolarHBondContact O-N 2.98Å; I292-W294 HydrophobicContact CB-CZ2 4.44Å; I292-W294 HydrophobicContact CD1-CZ2 4.27Å; I292-W294 HydrophobicContact CG2-CD2 3.75Å; I292-W294 HydrophobicContact CG2-CE3 4.07Å; I292-W294 HydrophobicContact CG2-CG 4.27Å; I292-W294 HydrophobicContact CG2-CH2 4.19Å; I292-W294 HydrophobicContact CG2-CZ2 3.86Å; I292-W294 HydrophobicContact CG2-CZ3 4.28Å; W294-F315 HydrophobicContact CH2-CB 4.29Å
295H96.4Very high96.7Very high27 Ų2728.5 Ų28.513%0.12515%0.15CC..THydrogen-bonded Turntrans-9710.9174.8-59.6143.3000113T39 A263 F265 Y293T39-H295 WeakPolarHBondContact CA-O 3.23Å; T39-H295 WeakPolarHBondContact CB-O 3.4Å; T39-H295 WeakPolarHBondContact CG2-O 3.49Å; T39-H295 PolarHBondContact OG1-O 3Å; T39-H295 VanDerWaalsContact OG1-O 3.04Å; A263-H295 PolarHBondContact O-CE1 2.86Å; A263-H295 PolarHBondContact O-ND1 3.37Å; F265-H295 WeakPolarHBondContact CD2-O 3.43Å; Y293-H295 PolarHBondContact O-N 3.23Å
296G97.6Very high96.6Very high0 Ų030.8 Ų30.80%017%0.171CC..  trans90.5173.8179.100000115.1M1 F265 G266 Y293M1-G296 CarbonylContact O-C 3.11Å; M1-G296 WeakPolarHBondContact O-CA 3.13Å; F265-G296 CarbonylContact C-O 3.49Å; F265-G296 VanDerWaalsContact CA-O 3.25Å; F265-G296 WeakPolarHBondContact CA-O 3.46Å; F265-G296 VanDerWaalsContact CD2-C 3.49Å; F265-G296 VanDerWaalsContact CD2-O 3.28Å; F265-G296 WeakPolarHBondContact CD2-O 3.42Å; G266-G296 PolarHBondContact N-O 3.34Å; Y293-G296 WeakPolarHBondContact CB-O 3.23Å; Y293-G296 WeakPolarHBondContact O-CA 3.41Å; Y293-G296 PolarHBondContact O-N 3.27Å
297F98.3Very high96.5Very high0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-156.7164.8-177.767.1-82.5000111.2M1 K2 L3 G266 Y293 G299 L301 D302 L311 D313M1-F297 PolarHBondContact O-N 2.94Å; M1-F297 VanDerWaalsContact O-N 3.09Å; K2-F297 HydrophobicContact CD-CE1 4.26Å; K2-F297 HydrophobicContact CD-CZ 3.83Å; K2-F297 HydrophobicContact CG-CE1 3.78Å; K2-F297 HydrophobicContact CG-CZ 3.79Å; L3-F297 PolarHBondContact N-O 2.95Å; G266-F297 VanDerWaalsContact O-CA 3.3Å; G266-F297 WeakPolarHBondContact O-CA 3.33Å; G266-F297 WeakPolarHBondContact O-CB 3.49Å; Y293-F297 HydrophobicContact CD2-CB 3.83Å; Y293-F297 HydrophobicContact CD2-CD1 4.18Å; Y293-F297 HydrophobicContact CD2-CG 4.04Å; Y293-F297 HydrophobicContact CE2-CB 4.5Å; Y293-F297 HydrophobicContact CG-CB 3.99Å; F297-G299 PolarHBondContact O-N 3.43Å; F297-L301 HydrophobicContact CD2-CB 4.47Å; F297-D302 HydrophobicContact CE2-CB 4.08Å; F297-L311 HydrophobicContact CD2-CB 4.42Å; F297-L311 HydrophobicContact CD2-CD1 4.07Å; F297-L311 HydrophobicContact CE1-CB 4.28Å; F297-L311 HydrophobicContact CE2-CB 3.84Å; F297-L311 HydrophobicContact CE2-CD1 4.03Å; F297-L311 HydrophobicContact CZ-CB 3.73Å; F297-D313 HydrophobicContact CD1-CB 4.04Å; F297-D313 HydrophobicContact CE1-CB 3.87Å
298I98.4Very high96.5Very high0 Ų035.8 Ų35.80%019%0.187CC..EExtended strand (participates in β ladder)trans-69.9114.8172-60.6171.6000108.5L3 R5 Y8 F265 G266 D267 D268 E300 L301L3-I298 CarbonylContact O-C 3.56Å; L3-I298 WeakPolarHBondContact O-CA 3.44Å; R5-I298 HydrophobicContact CB-CG2 3.92Å; R5-I298 HydrophobicContact CG-CG2 4.48Å; Y8-I298 HydrophobicContact CD1-CD1 3.38Å; Y8-I298 HydrophobicContact CD1-CG1 4.04Å; Y8-I298 HydrophobicContact CD2-CD1 4.34Å; Y8-I298 HydrophobicContact CD2-CG1 4.36Å; Y8-I298 HydrophobicContact CE1-CD1 3.68Å; Y8-I298 HydrophobicContact CG-CD1 3.74Å; Y8-I298 HydrophobicContact CG-CG1 3.87Å; F265-I298 HydrophobicContact CE1-CG1 3.91Å; F265-I298 HydrophobicContact CZ-CG1 4.18Å; G266-I298 PolarHBondContact O-N 3.37Å; D267-I298 HydrophobicContact CB-CD1 4.17Å; D268-I298 WeakPolarHBondContact OD2-CD1 3.48Å; I298-E300 HydrophobicContact CG2-CB 4.38Å; I298-E300 WeakPolarHBondContact CG2-OE2 3.43Å; I298-E300 PolarHBondContact O-N 3.35Å; I298-E300 VanDerWaalsContact O-N 3.11Å; I298-L301 HydrophobicContact CB-CD1 3.83Å; I298-L301 HydrophobicContact CB-CG 3.87Å; I298-L301 HydrophobicContact CG2-CG 4.31Å; I298-L301 VanDerWaalsContact O-CB 3.22Å; I298-L301 WeakPolarHBondContact O-CB 3.44Å; I298-L301 WeakPolarHBondContact O-CG 3.5Å; I298-L301 PolarHBondContact O-N 3.04Å
299G97.4Very high96.5Very high27 Ų2733.6 Ų33.628%0.27817%0.173SC..G310 helixtrans-55.3-34.9-171.500000113.7L3 F297 L301 D302L3-G299 PolarHBondContact O-N 3.21Å; F297-G299 PolarHBondContact O-N 3.43Å; G299-L301 PolarHBondContact O-N 3.42Å; G299-L301 VanDerWaalsContact O-N 3.13Å; G299-D302 WeakPolarHBondContact O-CB 3.38Å; G299-D302 PolarHBondContact O-N 3.44Å
300E97.5Very high96.5Very high93 Ų9333.8 Ų33.844%0.43517%0.173SC..G310 helixtrans-66.6-10.2178.1-57.591.714600113.8R5 I298 D302R5-E300 VanDerWaalsContact CB-OE1 3.23Å; R5-E300 WeakPolarHBondContact CB-OE1 3.41Å; R5-E300 PolarHBondContact N-OE1 2.91Å; R5-E300 PolarHBondContact N-OE2 3.46Å; I298-E300 HydrophobicContact CG2-CB 4.38Å; I298-E300 WeakPolarHBondContact CG2-OE2 3.43Å; I298-E300 PolarHBondContact O-N 3.35Å; I298-E300 VanDerWaalsContact O-N 3.11Å; E300-D302 VanDerWaalsContact C-N 3.26Å
301L96.8Very high96.5Very high12 Ų1233.8 Ų33.86%0.06317%0.174CC..G310 helixtrans-70.7-23.7173.6-63173.6000112.6G266 H271 F297 I298 G299 S303 L311G266-L301 WeakPolarHBondContact O-CD1 3.12Å; H271-L301 HydrophobicContact CB-CD1 3.9Å; H271-L301 HydrophobicContact CB-CD2 4.32Å; F297-L301 HydrophobicContact CD2-CB 4.47Å; I298-L301 HydrophobicContact CB-CD1 3.83Å; I298-L301 HydrophobicContact CB-CG 3.87Å; I298-L301 HydrophobicContact CG2-CG 4.31Å; I298-L301 VanDerWaalsContact O-CB 3.22Å; I298-L301 WeakPolarHBondContact O-CB 3.44Å; I298-L301 WeakPolarHBondContact O-CG 3.5Å; I298-L301 PolarHBondContact O-N 3.04Å; G299-L301 PolarHBondContact O-N 3.42Å; G299-L301 VanDerWaalsContact O-N 3.13Å; L301-S303 PolarHBondContact O-N 2.99Å; L301-S303 PolarHBondContact O-OG 3Å; L301-L311 HydrophobicContact CB-CD1 3.84Å
302D94.6Very high96.4Very high22 Ų2234.6 Ų34.612%0.11818%0.177CC..  trans-76.642.3-177.5-155.76.7000112.4K2 F297 G299 E300 R305 L311K2-D302 IonicContact NZ-OD2 2.96Å; F297-D302 HydrophobicContact CE2-CB 4.08Å; G299-D302 WeakPolarHBondContact O-CB 3.38Å; G299-D302 PolarHBondContact O-N 3.44Å; E300-D302 VanDerWaalsContact C-N 3.26Å; D302-R305 WeakPolarHBondContact OD1-CG 3.38Å; D302-R305 IonicContact OD1-CZ 3.66Å; D302-R305 IonicContact OD1-NE 3.09Å; D302-R305 PolarHBondContact OD1-NE 3.44Å; D302-R305 VanDerWaalsContact OD1-NE 3.09Å; D302-R305 IonicContact OD2-CZ 3.42Å; D302-R305 IonicContact OD2-NE 2.75Å; D302-R305 PolarHBondContact OD2-NE 3.06Å; D302-R305 IonicContact OD2-NH2 3.16Å; D302-R305 PolarHBondContact OD2-NH2 3.2Å; D302-L311 HydrophobicContact CB-CB 4.15Å; D302-L311 HydrophobicContact CB-CD1 4.15Å; D302-L311 HydrophobicContact CB-CG 4.24Å; D302-L311 PolarHBondContact OD1-N 3.18Å
303S93.2Very high96.3Very high77 Ų7736.4 Ų36.454%0.53819%0.187SC..  trans-91.7-6.9-177.661.30000113.2L301L301-S303 PolarHBondContact O-N 2.99Å; L301-S303 PolarHBondContact O-OG 3Å
304Q93.7Very high96.3Very high38 Ų3839.5 Ų39.518%0.17821%0.208CC..  trans-10313.1-176-55.1-58-56.700112.9W280 D306 R307 G308 I309W280-Q304 HydrophobicContact CZ2-CG 4.45Å; Q304-D306 PolarHBondContact O-N 2.76Å; Q304-R307 CarbonylContact O-C 3.58Å; Q304-R307 WeakPolarHBondContact O-CA 3.47Å; Q304-R307 WeakPolarHBondContact O-CB 3.47Å; Q304-R307 PolarHBondContact O-N 3.26Å; Q304-R307 VanDerWaalsContact OE1-CD 3.28Å; Q304-G308 PolarHBondContact O-N 3.3Å; Q304-I309 CarbonylContact C-O 3.6Å; Q304-I309 VanDerWaalsContact C-O 3.29Å; Q304-I309 HydrophobicContact CB-CB 4.09Å; Q304-I309 PolarHBondContact O-N 3.04Å; Q304-I309 VanDerWaalsContact O-N 3.11Å
305R93.2Very high96.2Very high51 Ų5138.3 Ų38.319%0.19220%0.204CC..G310 helixtrans-54.5-49.7179.7-72.4179.2166.7-122.4-4.1112.5E252 D302 R307 G308 I309 L310E252-R305 IonicContact OE2-CZ 2.63Å; E252-R305 IonicContact OE2-NH1 2.68Å; E252-R305 PolarHBondContact OE2-NH1 3.39Å; E252-R305 IonicContact OE2-NH2 2.77Å; E252-R305 PolarHBondContact OE2-NH2 2.86Å; E252-R305 VanDerWaalsContact OE2-NH2 3.07Å; D302-R305 WeakPolarHBondContact OD1-CG 3.38Å; D302-R305 IonicContact OD1-CZ 3.66Å; D302-R305 IonicContact OD1-NE 3.09Å; D302-R305 PolarHBondContact OD1-NE 3.44Å; D302-R305 VanDerWaalsContact OD1-NE 3.09Å; D302-R305 IonicContact OD2-CZ 3.42Å; D302-R305 IonicContact OD2-NE 2.75Å; D302-R305 PolarHBondContact OD2-NE 3.06Å; D302-R305 IonicContact OD2-NH2 3.16Å; D302-R305 PolarHBondContact OD2-NH2 3.2Å; R305-R307 PolarHBondContact O-N 2.82Å; R305-R307 VanDerWaalsContact O-N 3.17Å; R305-G308 WeakPolarHBondContact O-CA 3.17Å; R305-G308 PolarHBondContact O-N 3.35Å; R305-I309 WeakPolarHBondContact CA-O 3.43Å; R305-I309 PolarHBondContact N-O 3.11Å; R305-L310 HydrophobicContact CG-CD1 3.94Å
306D92.6Very high96.2Very high157 Ų15737 Ų3784%0.8420%0.198SC*.G310 helixtrans-65.5-20.5178.6-59.3-38.5000112.9Q304 G308Q304-D306 PolarHBondContact O-N 2.76Å; D306-G308 VanDerWaalsContact C-N 3.33Å
307R94.3Very high96Very high139 Ų13941.3 Ų41.353%0.52523%0.228SC..G310 helixtrans-91.95.7174.7-65.6-177.159.1-158.85.9112.7W280 W283 Q304 R305W280-R307 HydrophobicContact CH2-CB 3.83Å; W280-R307 VanDerWaalsContact CH2-CZ 3.44Å; W280-R307 VanDerWaalsContact CZ2-CZ 3.47Å; W280-R307 HydrophobicContact CZ3-CB 4.33Å; W283-R307 PolarHBondContact NE1-O 2.84Å; Q304-R307 CarbonylContact O-C 3.58Å; Q304-R307 WeakPolarHBondContact O-CA 3.47Å; Q304-R307 WeakPolarHBondContact O-CB 3.47Å; Q304-R307 PolarHBondContact O-N 3.26Å; Q304-R307 VanDerWaalsContact OE1-CD 3.28Å; R305-R307 PolarHBondContact O-N 2.82Å; R305-R307 VanDerWaalsContact O-N 3.17Å
308G95.4Very high95.6Very high14 Ų1444.4 Ų44.414%0.14424%0.244CC..THydrogen-bonded Turntrans88.316.6173.700000115.4P288 G289 Q304 R305 D306P288-G308 CarbonylContact C-O 3.54Å; P288-G308 VanDerWaalsContact CA-O 3.22Å; P288-G308 WeakPolarHBondContact CA-O 3.35Å; G289-G308 PolarHBondContact N-O 3.5Å; Q304-G308 PolarHBondContact O-N 3.3Å; R305-G308 WeakPolarHBondContact O-CA 3.17Å; R305-G308 PolarHBondContact O-N 3.35Å; D306-G308 VanDerWaalsContact C-N 3.33Å
309I97.9Very high95.5Very high1 Ų146 Ų461%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-115.2105.6171.3-54-63.8000108.8W258 F279 W280 W283 V291 Q304 R305 L311W258-I309 HydrophobicContact CH2-CD1 3.97Å; W258-I309 HydrophobicContact CZ2-CD1 3.53Å; F279-I309 HydrophobicContact CB-CD1 4.18Å; W280-I309 HydrophobicContact CE3-CG1 4.46Å; W280-I309 HydrophobicContact CH2-CG1 4.04Å; W280-I309 HydrophobicContact CZ3-CG1 3.9Å; W283-I309 HydrophobicContact CB-CD1 4.1Å; W283-I309 HydrophobicContact CG-CD1 4.46Å; V291-I309 HydrophobicContact CG2-CG2 4.32Å; Q304-I309 CarbonylContact C-O 3.6Å; Q304-I309 VanDerWaalsContact C-O 3.29Å; Q304-I309 HydrophobicContact CB-CB 4.09Å; Q304-I309 PolarHBondContact O-N 3.04Å; Q304-I309 VanDerWaalsContact O-N 3.11Å; R305-I309 WeakPolarHBondContact CA-O 3.43Å; R305-I309 PolarHBondContact N-O 3.11Å; I309-L311 HydrophobicContact CG2-CD2 4.16Å
310L97.8Very high95.3Very high4 Ų449.3 Ų49.32%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-93.9137.2178179.861.5000110.5V251 H254 V256 G289 L290 V291 R305V251-L310 HydrophobicContact CB-CD2 4.06Å; V251-L310 HydrophobicContact CG1-CD2 3.9Å; H254-L310 HydrophobicContact CB-CD2 4.49Å; V256-L310 HydrophobicContact CG2-CD2 4.35Å; G289-L310 PolarHBondContact O-N 3.11Å; L290-L310 CarbonylContact C-O 3.53Å; L290-L310 WeakPolarHBondContact CA-O 3.4Å; L290-L310 HydrophobicContact CD1-CB 4.1Å; L290-L310 HydrophobicContact CD1-CD2 3.99Å; L290-L310 HydrophobicContact CD1-CG 3.81Å; L290-L310 WeakPolarHBondContact CD1-O 3.44Å; V291-L310 PolarHBondContact N-O 3.3Å; R305-L310 HydrophobicContact CG-CD1 3.94Å
311L98.1Very high95Very high1 Ų148.1 Ų48.11%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-109132.8171.9-47.7-174.9000111.8V291 Y293 F297 L301 D302 I309V291-L311 HydrophobicContact CB-CD2 3.75Å; V291-L311 HydrophobicContact CG2-CD2 4.15Å; V291-L311 WeakPolarHBondContact O-CA 3.34Å; Y293-L311 HydrophobicContact CE2-CD1 4.38Å; Y293-L311 HydrophobicContact CE2-CD2 4.24Å; F297-L311 HydrophobicContact CD2-CB 4.42Å; F297-L311 HydrophobicContact CD2-CD1 4.07Å; F297-L311 HydrophobicContact CE1-CB 4.28Å; F297-L311 HydrophobicContact CE2-CB 3.84Å; F297-L311 HydrophobicContact CE2-CD1 4.03Å; F297-L311 HydrophobicContact CZ-CB 3.73Å; L301-L311 HydrophobicContact CB-CD1 3.84Å; D302-L311 HydrophobicContact CB-CB 4.15Å; D302-L311 HydrophobicContact CB-CD1 4.15Å; D302-L311 HydrophobicContact CB-CG 4.24Å; D302-L311 PolarHBondContact OD1-N 3.18Å; I309-L311 HydrophobicContact CG2-CD2 4.16Å
312K97.8Very high93.9Very high16 Ų1653.1 Ų53.17%0.0729%0.293CS..EExtended strand (participates in β ladder)trans-129.7159.9169.3-68.3-83-160.2159.10109.9E252 L290 V291 I292 Y293 C314 D318E252-K312 WeakPolarHBondContact OE1-CE 3.39Å; E252-K312 IonicContact OE1-NZ 2.92Å; E252-K312 PolarHBondContact OE1-NZ 2.89Å; E252-K312 IonicContact OE2-NZ 3.63Å; L290-K312 HydrophobicContact CD1-CB 3.9Å; L290-K312 HydrophobicContact CD1-CG 3.57Å; V291-K312 PolarHBondContact O-N 3.08Å; I292-K312 CarbonylContact C-O 3.51Å; I292-K312 VanDerWaalsContact CA-O 3.31Å; I292-K312 WeakPolarHBondContact CA-O 3.47Å; Y293-K312 PolarHBondContact N-O 3.31Å; K312-C314 WeakPolarHBondContact CB-O 3.47Å; K312-D318 IonicContact NZ-OD1 2.66Å
313D96.5Very high92.3Very high39 Ų3957.3 Ų57.321%0.20932%0.322CS..SBendtrans-109.25.1176.461.9-33.8000112.9M1 K2 Y293 F297M1-D313 WeakPolarHBondContact CA-OD2 3.45Å; M1-D313 PolarHBondContact N-OD2 2.87Å; K2-D313 PolarHBondContact N-OD2 3.16Å; Y293-D313 WeakPolarHBondContact O-CA 3.46Å; F297-D313 HydrophobicContact CD1-CB 4.04Å; F297-D313 HydrophobicContact CE1-CB 3.87Å
314C96.5Very high90.3Very high65 Ų6562.1 Ų62.144%0.43934%0.336SS..SBendtrans-157.1168.9173.462.50000109.8K312K312-C314 WeakPolarHBondContact CB-O 3.47Å
315F97.2Very high88Confident21 Ų2163.6 Ų63.69%0.09236%0.361CS..  trans-66.1130.4171.7-173.5-96000110.5L215 K218 L219 R222 L224 I292 W294 S317 I319L215-F315 HydrophobicContact CD1-CD2 3.65Å; L215-F315 HydrophobicContact CD1-CE2 3.87Å; K218-F315 HydrophobicContact CB-CB 4.38Å; K218-F315 HydrophobicContact CB-CD1 3.79Å; K218-F315 HydrophobicContact CB-CD2 3.95Å; K218-F315 HydrophobicContact CB-CE1 3.98Å; K218-F315 HydrophobicContact CB-CE2 4.14Å; K218-F315 HydrophobicContact CB-CG 3.76Å; K218-F315 HydrophobicContact CB-CZ 4.15Å; K218-F315 HydrophobicContact CD-CD1 4.42Å; K218-F315 HydrophobicContact CG-CB 4.31Å; K218-F315 HydrophobicContact CG-CD1 4.33Å; K218-F315 HydrophobicContact CG-CG 4.21Å; L219-F315 HydrophobicContact CD2-CE2 3.78Å; L219-F315 HydrophobicContact CD2-CZ 3.96Å; L219-F315 HydrophobicContact CG-CE2 4.05Å; L219-F315 HydrophobicContact CG-CZ 4.41Å; R222-F315 HydrophobicContact CG-CE1 4.02Å; L224-F315 HydrophobicContact CD1-CZ 4.5Å; I292-F315 HydrophobicContact CD1-CD2 4.27Å; W294-F315 HydrophobicContact CH2-CB 4.29Å; F315-S317 PolarHBondContact O-N 2.83Å; F315-I319 HydrophobicContact CE1-CD1 3.57Å; F315-I319 HydrophobicContact CZ-CD1 3.6Å
316P95.9Very high85.6Confident1 Ų167.4 Ų67.41%0.00639%0.391CS..  trans-65.8135-17424.8-32.4000112V251 L290 I319V251-P316 HydrophobicContact CB-CB 4.48Å; V251-P316 HydrophobicContact CG1-CB 3.53Å; V251-P316 HydrophobicContact CG1-CG 4.05Å; V251-P316 HydrophobicContact CG2-CB 4.08Å; V251-P316 HydrophobicContact CG2-CG 3.82Å; L290-P316 HydrophobicContact CD2-CG 4.09Å; P316-I319 HydrophobicContact CB-CG1 4.28Å; P316-I319 HydrophobicContact CG-CD1 4.16Å; P316-I319 HydrophobicContact CG-CG1 4.05Å
317S92.1Very high83.1Confident90 Ų9065.1 Ų65.163%0.62939%0.387SS*.SBendtrans-83.4-33.1173.949.10000112.2R222 F315 I319R222-S317 PolarHBondContact NH1-O 2.91Å; F315-S317 PolarHBondContact O-N 2.83Å; S317-I319 PolarHBondContact O-N 3.35Å
318D91.6Very high80.7Confident64 Ų6464 Ų6434%0.34240%0.397SS..  trans-88.460.7-173.961.1-52.6000112.2E252 K312E252-D318 VanDerWaalsContact CG-OD2 3.25Å; E252-D318 WeakPolarHBondContact CG-OD2 3.24Å; E252-D318 PolarHBondContact N-OD2 3.21Å; K312-D318 IonicContact NZ-OD1 2.66Å
319I94.8Very high78.3Confident33 Ų3367.7 Ų67.717%0.16943%0.426CS..EExtended strand (participates in β ladder)trans-92126.4179.7-61.5176000109.8L224 I249 V251 F315 P316 S317 T321L224-I319 HydrophobicContact CD1-CD1 3.97Å; L224-I319 HydrophobicContact CD1-CG2 4.44Å; I249-I319 HydrophobicContact CB-CG2 3.87Å; I249-I319 HydrophobicContact CD1-CD1 4.14Å; I249-I319 HydrophobicContact CD1-CG1 4.27Å; I249-I319 HydrophobicContact CD1-CG2 3.84Å; I249-I319 HydrophobicContact CG1-CG2 4.34Å; I249-I319 HydrophobicContact CG2-CG2 3.99Å; V251-I319 HydrophobicContact CG2-CG1 4.35Å; F315-I319 HydrophobicContact CE1-CD1 3.57Å; F315-I319 HydrophobicContact CZ-CD1 3.6Å; P316-I319 HydrophobicContact CB-CG1 4.28Å; P316-I319 HydrophobicContact CG-CD1 4.16Å; P316-I319 HydrophobicContact CG-CG1 4.05Å; S317-I319 PolarHBondContact O-N 3.35Å; I319-T321 HydrophobicContact CG2-CG2 4.29Å
320V94.6Very high75.7Confident97 Ų9773.6 Ų73.659%0.58846%0.463SS*.EExtended strand (participates in β ladder)trans-107.1125.2169179.90000108.6A250A250-V320 HydrophobicContact CB-CB 4.23Å; A250-V320 PolarHBondContact N-O 3.23Å; A250-V320 PolarHBondContact O-N 3.05Å
321T89.8Confident73.2Confident69 Ų6979.4 Ų79.442%0.42350%0.499SS..EExtended strand (participates in β ladder)trans-98.4149.6176.554.90000110.5L224 I249 I319 C323L224-T321 HydrophobicContact CD2-CG2 3.68Å; I249-T321 HydrophobicContact CG2-CG2 4.28Å; I319-T321 HydrophobicContact CG2-CG2 4.29Å; T321-C323 VanDerWaalsContact C-N 3.34Å; T321-C323 PolarHBondContact O-N 3.35Å
322L74.9Confident70.5Confident117 Ų11786.1 Ų86.161%0.61353%0.534SS*.  trans-7589.4170.5-67.5168.7000108.6H324L322-H324 PolarHBondContact O-N 3.36Å
323C60.6Low67.9Low109 Ų10990.5 Ų90.574%0.73657%0.567SS**  trans-61.9118.1171-59.40000108.7T321 G325T321-C323 VanDerWaalsContact C-N 3.34Å; T321-C323 PolarHBondContact O-N 3.35Å; C323-G325 PolarHBondContact O-N 3.33Å
324H51.6Low65.6Low178 Ų17896.5 Ų96.582%0.82460%0.598SS**  trans-65.7105160.6-81.944.4000106.6L322 T326L322-H324 PolarHBondContact O-N 3.36Å; H324-T326 PolarHBondContact O-N 3.17Å
325G43.8Very low63.3Low69 Ų69100 Ų10071%0.71162%0.618SS**  trans-60104.7169.400000108.2C323 S327C323-G325 PolarHBondContact O-N 3.33Å; G325-S327 PolarHBondContact O-N 3.03Å
326T43.4Very low60.6Low132 Ų132106.3 Ų106.381%0.8169%0.689SS**  trans-65.296.5153.939.90000105.7H324H324-T326 PolarHBondContact O-N 3.17Å
327S41.5Very low58.8Low108 Ų108111.6 Ų111.676%0.75572%0.723SS**  trans-51.1127.7165.2-79.60000107.7G325 A329G325-S327 PolarHBondContact O-N 3.03Å; S327-A329 PolarHBondContact O-N 3.37Å; S327-A329 VanDerWaalsContact O-N 3.14Å
328P43.5Very low57Low116 Ų116112.7 Ų112.775%0.75373%0.728SS**  trans-60.8122.3170.624-29.2000107.4T330P328-T330 PolarHBondContact O-N 3.19Å
329A45.2Very low55.1Low91 Ų91115.4 Ų115.475%0.75275%0.749SS**  trans-54.2111.3173.200000108.2S327 T331S327-A329 PolarHBondContact O-N 3.37Å; S327-A329 VanDerWaalsContact O-N 3.14Å; A329-T331 VanDerWaalsContact C-N 3.35Å; A329-T331 PolarHBondContact O-N 3.06Å
330T42.6Very low52.8Low125 Ų125120.3 Ų120.377%0.76778%0.784SS**  trans-69.997.5171.7-290000106.1P328 D332P328-T330 PolarHBondContact O-N 3.19Å; T330-D332 VanDerWaalsContact C-N 3.27Å; T330-D332 PolarHBondContact O-N 3.1Å
331T44.4Very low50.2Low127 Ų127121.8 Ų121.878%0.77980%0.796SS**  trans-71.490.1165.644.60000107.5A329 S333A329-T331 VanDerWaalsContact C-N 3.35Å; A329-T331 PolarHBondContact O-N 3.06Å; T331-S333 VanDerWaalsContact C-N 3.31Å; T331-S333 PolarHBondContact O-N 2.81Å
332D42.8Very low47.5Very low141 Ų141125.3 Ų125.375%0.75482%0.821SS**  trans-68.793.5161.7-85.6-19.3000108.1T330 L334T330-D332 VanDerWaalsContact C-N 3.27Å; T330-D332 PolarHBondContact O-N 3.1Å; D332-L334 PolarHBondContact O-N 2.94Å; D332-L334 VanDerWaalsContact O-N 3.16Å
333S43.1Very low45.6Very low108 Ų108125.9 Ų125.976%0.75584%0.836SS**  trans-7592.9161.953.40000108.3T331 T335T331-S333 VanDerWaalsContact C-N 3.31Å; T331-S333 PolarHBondContact O-N 2.81Å; S333-T335 PolarHBondContact O-N 3.14Å
334L47.6Very low44.4Very low165 Ų165127.2 Ų127.286%0.86484%0.843SS**  trans-64.5109.3163.9-86.1154.2000108.8D332D332-L334 PolarHBondContact O-N 2.94Å; D332-L334 VanDerWaalsContact O-N 3.16Å
335T48.5Very low43.8Very low140 Ų140122.9 Ų122.986%0.85985%0.845SS**  trans-73.1121.8158.146.30000108.8S333S333-T335 PolarHBondContact O-N 3.14Å
336G39.8Very low43.8Very low153 Ų153127.8 Ų127.8100%1.57786%0.857SS**  trans-157.90169.500000109.2

Retrieved 336 of 336 residues in 1111 ms (Link to these results)

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