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Diphosphomevalonate decarboxylase

Catalyzes the ATP dependent decarboxylation of (R)-5-diphosphomevalonate to form isopentenyl diphosphate (IPP). Functions in the mevalonate (MVA) pathway leading to isopentenyl diphosphate (IPP), a key precursor for the biosynthesis of isoprenoids and sterol synthesis.

AlphaFold DB , UniProt , Accession A0A3Q0KT25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 386 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
1M93.5Very high96.5Very high25 Ų2513.8 Ų13.812%0.1237%0.072CC..  0123.30-59.1174.4-167.800111.6F48 T49 L88 P90 M125 I385 H386M1-F48 WeakPolarHBondContact O-CA 3.47Å; M1-F48 VanDerWaalsContact O-CD2 3.28Å; M1-F48 WeakPolarHBondContact O-CD2 3.48Å; M1-T49 HydrophobicContact CB-CG2 4.04Å; M1-T49 PolarHBondContact N-O 3.39Å; M1-T49 PolarHBondContact O-N 3.12Å; M1-L88 HydrophobicContact CE-CB 4.28Å; M1-L88 HydrophobicContact CE-CD2 3.97Å; M1-L88 HydrophobicContact CE-CG 4.2Å; M1-P90 HydrophobicContact CE-CG 3.79Å; M1-P90 HydrophobicContact CG-CG 4.45Å; M1-P90 HydrophobicContact SD-CG 4Å; M1-M125 HydrophobicContact CB-CE 4.14Å; M1-M125 HydrophobicContact CB-CG 4.01Å; M1-M125 HydrophobicContact CB-SD 4.34Å; M1-M125 HydrophobicContact SD-CG 3.88Å; M1-I385 CarbonylContact C-O 3.55Å; M1-I385 WeakPolarHBondContact CA-O 3.27Å; M1-H386 WeakPolarHBondContact CA-OXT 3.03Å; M1-H386 WeakPolarHBondContact CB-OXT 3.4Å; M1-H386 WeakPolarHBondContact CE-CE1 3.43Å; M1-H386 WeakPolarHBondContact CG-OXT 3.47Å; M1-H386 PolarHBondContact N-OXT 2.98Å
2L95.8Very high96.6Very high49 Ų4913 Ų1326%0.2577%0.069SC..EExtended strand (participates in β ladder)trans-129.2127.1169.6173.567.8000108.4M47 F48 F384 I385L2-M47 CarbonylContact C-O 3.56Å; L2-M47 WeakPolarHBondContact CA-O 3.36Å; L2-F48 HydrophobicContact CB-CD2 4.21Å; L2-F48 HydrophobicContact CD1-CB 3.92Å; L2-F48 HydrophobicContact CD1-CD2 4.46Å; L2-F384 WeakPolarHBondContact O-CA 3.14Å; L2-I385 HydrophobicContact CB-CB 4.34Å; L2-I385 HydrophobicContact CD2-CD1 4.23Å; L2-I385 PolarHBondContact N-O 2.85Å; L2-I385 PolarHBondContact O-N 2.78Å
3V97.3Very high96.7Very high0 Ų012 Ų120%06%0.063CC..EExtended strand (participates in β ladder)trans-125.3132.7177171.80000109.1V5 A46 M47 A121 T124 M125 L381 S383 F384V3-V5 HydrophobicContact CG1-CG1 3.75Å; V3-A46 CarbonylContact O-C 3.32Å; V3-A46 WeakPolarHBondContact O-CA 3.49Å; V3-M47 PolarHBondContact N-O 3.15Å; V3-M47 PolarHBondContact O-N 3.01Å; V3-A121 HydrophobicContact CG1-CB 3.99Å; V3-T124 HydrophobicContact CG1-CG2 4.18Å; V3-T124 HydrophobicContact CG2-CG2 4.18Å; V3-M125 HydrophobicContact CB-CE 4.33Å; V3-M125 HydrophobicContact CG2-CB 3.85Å; V3-M125 HydrophobicContact CG2-CE 4.15Å; V3-L381 HydrophobicContact CG1-CD1 4.13Å; V3-S383 WeakPolarHBondContact CA-O 3.48Å; V3-F384 HydrophobicContact CB-CD2 4.49Å; V3-F384 HydrophobicContact CG2-CD2 3.27Å; V3-F384 HydrophobicContact CG2-CE2 3.55Å; V3-F384 HydrophobicContact CG2-CG 4.05Å
4E98.3Very high96.9Very high46 Ų4611.1 Ų11.122%0.2156%0.059CC..EExtended strand (participates in β ladder)trans-119.8130.8168.7-62.3-166.7176.300110.6K44 T45 A46 I382 S383E4-K44 VanDerWaalsContact OE2-CE 3.27Å; E4-K44 WeakPolarHBondContact OE2-CE 3.47Å; E4-K44 IonicContact OE2-NZ 3.69Å; E4-K44 PolarHBondContact OE2-NZ 3.39Å; E4-T45 WeakPolarHBondContact CA-O 3.43Å; E4-A46 HydrophobicContact CG-CB 3.92Å; E4-I382 HydrophobicContact CB-CB 3.97Å; E4-I382 HydrophobicContact CB-CG2 4.3Å; E4-I382 WeakPolarHBondContact O-CB 3.47Å; E4-I382 PolarHBondContact O-N 3.34Å; E4-S383 WeakPolarHBondContact CB-OG 3.3Å; E4-S383 PolarHBondContact N-O 2.95Å; E4-S383 PolarHBondContact O-N 2.46Å
5V98.1Very high96.9Very high0 Ų010.5 Ų10.50%06%0.055CC..EExtended strand (participates in β ladder)trans-137.8160.4180-59.60000111.5V3 K44 T45 A117 F120 A121 Q380 L381V3-V5 HydrophobicContact CG1-CG1 3.75Å; V5-K44 CarbonylContact O-C 3.47Å; V5-K44 WeakPolarHBondContact O-CA 3.42Å; V5-T45 PolarHBondContact N-O 2.85Å; V5-T45 PolarHBondContact O-N 2.91Å; V5-A117 HydrophobicContact CG2-CB 4.2Å; V5-A117 WeakPolarHBondContact CG2-O 3.21Å; V5-F120 HydrophobicContact CB-CD1 3.74Å; V5-F120 HydrophobicContact CB-CE1 4.14Å; V5-F120 HydrophobicContact CG1-CD1 3.52Å; V5-F120 HydrophobicContact CG1-CE1 3.73Å; V5-F120 HydrophobicContact CG2-CD1 4.22Å; V5-A121 HydrophobicContact CG1-CB 4.37Å; V5-A121 HydrophobicContact CG2-CB 3.89Å; V5-Q380 CarbonylContact C-O 3.47Å; V5-Q380 VanDerWaalsContact CA-O 3.23Å; V5-Q380 WeakPolarHBondContact CA-O 3.35Å; V5-Q380 WeakPolarHBondContact CB-O 3.45Å; V5-L381 HydrophobicContact CG1-CD1 3.88Å
6T97.8Very high96.8Very high25 Ų2511.6 Ų11.615%0.1536%0.059CC..EExtended strand (participates in β ladder)trans-118.9145.9161.857.80000110.9Q38 T43 K44 P379 Q380 I382T6-Q38 VanDerWaalsContact CB-OE1 3.28Å; T6-Q38 PolarHBondContact O-OE1 3.19Å; T6-Q38 PolarHBondContact OG1-OE1 2.6Å; T6-T43 CarbonylContact C-O 3.55Å; T6-T43 VanDerWaalsContact CA-O 3.23Å; T6-T43 WeakPolarHBondContact CA-O 2.85Å; T6-K44 HydrophobicContact CG2-CB 4.02Å; T6-K44 HydrophobicContact CG2-CG 4.15Å; T6-P379 CarbonylContact O-C 3.57Å; T6-P379 VanDerWaalsContact O-CA 3.26Å; T6-P379 WeakPolarHBondContact O-CA 3.1Å; T6-Q380 PolarHBondContact N-O 2.95Å; T6-Q380 PolarHBondContact O-N 3.01Å; T6-I382 HydrophobicContact CG2-CD1 3.57Å; T6-I382 HydrophobicContact CG2-CG1 4.37Å
7C97.1Very high96.7Very high0 Ų011.3 Ų11.30%06%0.057CC..EExtended strand (participates in β ladder)trans-131.3148.1170.4-74.80000113Q38 G42 T43 S113 A116 A117 P379C7-Q38 VanDerWaalsContact N-OE1 3.13Å; C7-G42 VanDerWaalsContact O-CA 3.32Å; C7-G42 WeakPolarHBondContact O-CA 3.34Å; C7-T43 PolarHBondContact N-O 3.19Å; C7-T43 PolarHBondContact O-N 3.16Å; C7-S113 WeakPolarHBondContact CB-O 3.16Å; C7-A116 HydrophobicContact CB-CB 4.09Å; C7-A116 VanDerWaalsContact SG-C 3.56Å; C7-A117 HydrophobicContact CB-CB 3.86Å; C7-A117 WeakPolarHBondContact SG-CA 3.48Å; C7-A117 PolarHBondContact SG-N 2.98Å; C7-P379 WeakPolarHBondContact SG-CB 3.2Å; C7-P379 VanDerWaalsContact SG-CG 3.54Å
8P96.4Very high96.4Very high0 Ų010.7 Ų10.70%05%0.054CC..EExtended strand (participates in β ladder)trans-80.9154.4179.232.6-33000113.6T35 L36 Q38 S113 S146P8-T35 HydrophobicContact CB-CG2 3.39Å; P8-T35 HydrophobicContact CG-CG2 3.26Å; P8-L36 WeakPolarHBondContact CB-O 3.34Å; P8-Q38 VanDerWaalsContact CA-CG 3.45Å; P8-Q38 HydrophobicContact CB-CG 3.46Å; P8-Q38 VanDerWaalsContact CB-CG 3.46Å; P8-Q38 VanDerWaalsContact CD-CD 3.49Å; P8-Q38 HydrophobicContact CG-CG 4.27Å; P8-Q38 VanDerWaalsContact N-CD 3.34Å; P8-S113 WeakPolarHBondContact O-CA 3.2Å; P8-S113 VanDerWaalsContact O-CB 3.28Å; P8-S113 WeakPolarHBondContact O-CB 3.5Å; P8-S146 VanDerWaalsContact CD-O 3.31Å; P8-S146 WeakPolarHBondContact CD-O 3.41Å; P8-S146 VanDerWaalsContact CG-O 3.3Å; P8-S146 WeakPolarHBondContact CG-O 3.22Å; P8-S146 WeakPolarHBondContact O-CB 3.26Å; P8-S146 PolarHBondContact O-OG 3.03Å
9V95.4Very high96Very high5 Ų511.1 Ų11.13%0.036%0.055CC..  trans-75.5146.7158.2178.60000108.9L36 V41 F102 A109V9-L36 HydrophobicContact CG1-CD1 4.39Å; V9-L36 WeakPolarHBondContact O-CB 3.27Å; V9-L36 PolarHBondContact O-N 2.67Å; V9-V41 HydrophobicContact CB-CG2 4.4Å; V9-V41 HydrophobicContact CG2-CB 4.36Å; V9-V41 PolarHBondContact N-O 3.48Å; V9-F102 HydrophobicContact CG2-CD1 4.34Å; V9-F102 HydrophobicContact CG2-CE1 3.49Å; V9-F102 VanDerWaalsContact CG2-CE1 3.49Å; V9-F102 HydrophobicContact CG2-CE2 4.03Å; V9-F102 HydrophobicContact CG2-CZ 3.3Å; V9-A109 HydrophobicContact CG1-CB 3.92Å
10N96.2Very high95.5Very high2 Ų213.4 Ų13.41%0.0118%0.081CC..EExtended strand (participates in β ladder)trans-118.4149.8166.873.487.4000110.7S33 L34 S142 R145 S146N10-S33 WeakPolarHBondContact OD1-CB 3.25Å; N10-S33 PolarHBondContact OD1-OG 2.83Å; N10-L34 CarbonylContact C-O 3.51Å; N10-L34 VanDerWaalsContact CA-O 3.22Å; N10-L34 WeakPolarHBondContact CA-O 3.27Å; N10-S142 PolarHBondContact ND2-O 2.82Å; N10-R145 PolarHBondContact OD1-NE 3.14Å; N10-R145 PolarHBondContact OD1-NH2 3.41Å; N10-S146 PolarHBondContact ND2-OG 2.91Å
11I96Very high95.1Very high0 Ų015.1 Ų15.10%09%0.09CC..EExtended strand (participates in β ladder)trans-113.7133.9172.962.4161.9000109.7S33 L34 L36 V178 T284 F292 L294I11-S33 CarbonylContact O-C 3.46Å; I11-S33 WeakPolarHBondContact O-CA 3.33Å; I11-S33 WeakPolarHBondContact O-CB 3.44Å; I11-L34 HydrophobicContact CD1-CB 4.31Å; I11-L34 HydrophobicContact CD1-CD2 4.15Å; I11-L34 HydrophobicContact CG1-CB 3.73Å; I11-L34 HydrophobicContact CG1-CD2 4.35Å; I11-L34 PolarHBondContact N-O 3.22Å; I11-L34 PolarHBondContact O-N 2.84Å; I11-L36 HydrophobicContact CD1-CD2 4.4Å; I11-L36 HydrophobicContact CG1-CD2 4.17Å; I11-L36 HydrophobicContact CG2-CD1 3.72Å; I11-L36 HydrophobicContact CG2-CD2 4.46Å; I11-L36 HydrophobicContact CG2-CG 4.23Å; I11-V178 HydrophobicContact CD1-CG1 4.12Å; I11-V178 HydrophobicContact CD1-CG2 4.01Å; I11-T284 HydrophobicContact CD1-CG2 4.47Å; I11-F292 HydrophobicContact CB-CD1 4.44Å; I11-F292 HydrophobicContact CD1-CB 4.33Å; I11-F292 HydrophobicContact CG2-CD1 3.39Å; I11-F292 HydrophobicContact CG2-CD2 4.46Å; I11-F292 HydrophobicContact CG2-CE1 3.46Å; I11-F292 VanDerWaalsContact CG2-CE1 3.46Å; I11-F292 HydrophobicContact CG2-CG 3.92Å; I11-F292 HydrophobicContact CG2-CZ 4.06Å; I11-L294 HydrophobicContact CD1-CD1 4.2Å; I11-L294 HydrophobicContact CD1-CG 4.45Å
12A96.9Very high94.7Very high4 Ų416.8 Ų16.83%0.03310%0.1CC..EExtended strand (participates in β ladder)trans-81.5123.7-17700000111.5K15 T284A12-K15 HydrophobicContact CB-CD 3.66Å; A12-K15 PolarHBondContact O-NZ 3.41Å; A12-T284 PolarHBondContact O-OG1 3.49Å
13L98.5Very high94.2Very high0 Ų020 Ų200%012%0.117CC..EExtended strand (participates in β ladder)trans-86.6-45.8168.5-55.6174.3000109.9I32 F151 I221 L225 L233 T237 E240 L294L13-I32 HydrophobicContact CD1-CG2 4.46Å; L13-I32 PolarHBondContact N-O 3.24Å; L13-F151 HydrophobicContact CD1-CD1 4.21Å; L13-F151 HydrophobicContact CD1-CE1 4.5Å; L13-I221 HydrophobicContact CB-CD1 4.26Å; L13-I221 HydrophobicContact CB-CG2 4.43Å; L13-L225 HydrophobicContact CD1-CD2 4.46Å; L13-L233 HydrophobicContact CD1-CD1 4.33Å; L13-T237 HydrophobicContact CD2-CG2 4.05Å; L13-E240 WeakPolarHBondContact O-CB 3.34Å; L13-L294 HydrophobicContact CD2-CD2 3.67Å
14L98.5Very high93.6Very high0 Ų023.1 Ų23.10%013%0.133CC..EExtended strand (participates in β ladder)trans-105.9120.5166.3178.775.4000108.2S30 S31 I32 H217 E218 I221 E240L14-S30 WeakPolarHBondContact CD2-O 3.29Å; L14-S31 WeakPolarHBondContact O-CA 3.49Å; L14-S31 VanDerWaalsContact O-CB 3.29Å; L14-S31 WeakPolarHBondContact O-CB 3.47Å; L14-I32 HydrophobicContact CB-CB 3.88Å; L14-I32 HydrophobicContact CB-CD1 4.47Å; L14-I32 HydrophobicContact CB-CG1 4.18Å; L14-I32 HydrophobicContact CD2-CD1 4.22Å; L14-I32 HydrophobicContact CD2-CG1 4.08Å; L14-I32 PolarHBondContact N-O 3.03Å; L14-I32 PolarHBondContact O-N 3.01Å; L14-H217 HydrophobicContact CD1-CB 3.85Å; L14-E218 HydrophobicContact CD2-CB 3.78Å; L14-E218 HydrophobicContact CD2-CG 4.17Å; L14-I221 HydrophobicContact CB-CD1 3.65Å; L14-I221 HydrophobicContact CD1-CD1 4.36Å; L14-E240 HydrophobicContact CD1-CG 4.15Å; L14-E240 WeakPolarHBondContact CD1-OE2 3.24Å
15K97.3Very high93.1Very high2 Ų221.1 Ų21.11%0.00912%0.124CC..  trans-75.6133.8-165.7-59.7-56.3-166.6-176.30113.2A12 R210 E240 L244 T284 F285 D286A12-K15 HydrophobicContact CB-CD 3.66Å; A12-K15 PolarHBondContact O-NZ 3.41Å; K15-R210 PolarHBondContact O-NH2 2.86Å; K15-E240 HydrophobicContact CG-CB 4.39Å; K15-E240 PolarHBondContact N-OE2 3.4Å; K15-L244 HydrophobicContact CB-CB 4.4Å; K15-L244 HydrophobicContact CB-CD2 4.37Å; K15-L244 HydrophobicContact CD-CD2 4.01Å; K15-L244 HydrophobicContact CG-CB 4Å; K15-L244 HydrophobicContact CG-CD2 3.97Å; K15-T284 VanDerWaalsContact CE-OG1 3.25Å; K15-T284 WeakPolarHBondContact CE-OG1 3.28Å; K15-T284 PolarHBondContact NZ-OG1 3.23Å; K15-F285 WeakPolarHBondContact CE-O 3.3Å; K15-F285 PolarHBondContact NZ-O 2.6Å; K15-D286 IonicContact NZ-OD1 3.97Å; K15-D286 PolarHBondContact NZ-OD1 2.83Å
16Y94.9Very high92.8Very high27 Ų2721.8 Ų21.811%0.10613%0.127CC..  trans-86.4106.8163.4166.7-126.2000109.3G18 I25 P27 W154 M196Y16-G18 WeakPolarHBondContact CE2-O 3.43Å; Y16-I25 VanDerWaalsContact OH-CG2 3.23Å; Y16-I25 WeakPolarHBondContact OH-CG2 3.37Å; Y16-P27 HydrophobicContact CD2-CB 3.7Å; Y16-P27 HydrophobicContact CE2-CB 3.6Å; Y16-W154 AromaticContact CD1-CZ3 3.89Å; Y16-W154 HydrophobicContact CD1-CZ3 3.89Å; Y16-W154 HydrophobicContact CD2-CE3 4.32Å; Y16-W154 HydrophobicContact CD2-CH2 4.23Å; Y16-W154 AromaticContact CD2-CZ3 3.58Å; Y16-W154 HydrophobicContact CD2-CZ3 3.58Å; Y16-W154 HydrophobicContact CE1-CH2 4.33Å; Y16-W154 AromaticContact CE1-CZ3 3.85Å; Y16-W154 HydrophobicContact CE1-CZ3 3.85Å; Y16-W154 AromaticContact CE2-CH2 3.77Å; Y16-W154 HydrophobicContact CE2-CH2 3.77Å; Y16-W154 AromaticContact CE2-CZ3 3.57Å; Y16-W154 HydrophobicContact CE2-CZ3 3.57Å; Y16-W154 HydrophobicContact CG-CE3 4.36Å; Y16-W154 AromaticContact CG-CZ3 3.74Å; Y16-W154 HydrophobicContact CG-CZ3 3.74Å; Y16-W154 AromaticContact CZ-CH2 3.79Å; Y16-W154 AromaticContact CZ-CZ3 3.67Å; Y16-M196 HydrophobicContact CD1-CE 4.26Å; Y16-M196 HydrophobicContact CD2-CE 4.17Å; Y16-M196 HydrophobicContact CE1-CE 3.71Å; Y16-M196 HydrophobicContact CE1-SD 4.42Å; Y16-M196 HydrophobicContact CE2-CE 3.57Å; Y16-M196 HydrophobicContact CG-CE 4.49Å
17W95.1Very high92.6Very high7 Ų720.8 Ų20.83%0.02712%0.12CC..  trans-146.9128.8175.4-160.7-104.5000109.4A195 M196 C199 F206 L244 C248 Y257 A287W17-A195 HydrophobicContact CH2-CB 3.78Å; W17-A195 HydrophobicContact CZ2-CB 3.7Å; W17-M196 HydrophobicContact CD2-CG 3.53Å; W17-M196 HydrophobicContact CE3-CG 3.53Å; W17-M196 HydrophobicContact CE3-SD 4.14Å; W17-M196 HydrophobicContact CG-CG 4.12Å; W17-M196 HydrophobicContact CH2-CG 4.02Å; W17-M196 HydrophobicContact CZ2-CG 4.01Å; W17-M196 HydrophobicContact CZ3-CG 3.78Å; W17-M196 HydrophobicContact CZ3-SD 4.38Å; W17-C199 PolarHBondContact NE1-SG 3.38Å; W17-C199 VanDerWaalsContact NE1-SG 3.39Å; W17-F206 VanDerWaalsContact O-CE2 3.23Å; W17-F206 WeakPolarHBondContact O-CE2 3.16Å; W17-F206 WeakPolarHBondContact O-CZ 3.17Å; W17-L244 HydrophobicContact CB-CD1 3.71Å; W17-L244 HydrophobicContact CD2-CD1 3.39Å; W17-L244 HydrophobicContact CE3-CD1 3.64Å; W17-L244 HydrophobicContact CG-CD1 3.45Å; W17-L244 VanDerWaalsContact CG-CD1 3.45Å; W17-L244 HydrophobicContact CZ3-CD1 4.41Å; W17-C248 WeakPolarHBondContact CZ2-SG 3.41Å; W17-Y257 AromaticContact CH2-CE2 3.7Å; W17-Y257 HydrophobicContact CH2-CE2 3.7Å; W17-Y257 HydrophobicContact CZ2-CE2 4.22Å; W17-A287 HydrophobicContact CH2-CB 4.06Å; W17-A287 HydrophobicContact CZ3-CB 3.78Å
18G92Very high92.3Very high0 Ų022 Ų220%013%0.129CC..  trans87.4140.9-170.800000114.4Y16 S28Y16-G18 WeakPolarHBondContact CE2-O 3.43Å; G18-S28 PolarHBondContact O-N 2.83Å
19K89.4Confident92.2Very high19 Ų1922.1 Ų22.18%0.08313%0.129CC..EExtended strand (participates in β ladder)trans-115.3131.3179.7-57.7-177.9-170177.20109.4D22 I25 Y26 S28 M196K19-D22 HydrophobicContact CD-CB 4.33Å; K19-D22 WeakPolarHBondContact CD-OD1 3.08Å; K19-D22 WeakPolarHBondContact CE-OD1 3.19Å; K19-D22 IonicContact NZ-OD1 2.71Å; K19-D22 PolarHBondContact NZ-OD1 3.12Å; K19-I25 HydrophobicContact CD-CG2 4.33Å; K19-Y26 CarbonylContact C-O 3.53Å; K19-Y26 VanDerWaalsContact CA-O 3.31Å; K19-Y26 WeakPolarHBondContact CA-O 3.4Å; K19-S28 PolarHBondContact N-OG 2.84Å; K19-S28 PolarHBondContact O-OG 2.68Å; K19-M196 HydrophobicContact CG-CE 3.84Å
20G85.7Confident92.2Very high56 Ų5622.2 Ų22.258%0.57713%0.13SC*.EExtended strand (participates in β ladder)trans-77.5-30.2168.700000112.2Y26 S28G20-Y26 PolarHBondContact N-O 2.85Å; G20-S28 PolarHBondContact N-OG 3.19Å
21D86.2Confident92.3Very high50 Ų5022.1 Ų22.127%0.26713%0.13SC..EExtended strand (participates in β ladder)trans-139.4116.5174.6177.7-14.7000108.4L23 N24 I25 Y26D21-L23 WeakPolarHBondContact OD1-CA 3.21Å; D21-L23 WeakPolarHBondContact OD1-CB 3.42Å; D21-L23 PolarHBondContact OD1-N 3.16Å; D21-N24 PolarHBondContact OD1-N 3.42Å; D21-N24 WeakPolarHBondContact OD2-CB 3.34Å; D21-N24 PolarHBondContact OD2-ND2 3.31Å; D21-I25 CarbonylContact O-C 3.49Å; D21-I25 WeakPolarHBondContact O-CA 3.32Å; D21-I25 PolarHBondContact O-N 3.02Å; D21-Y26 HydrophobicContact CB-CD2 3.99Å; D21-Y26 PolarHBondContact N-O 2.93Å; D21-Y26 PolarHBondContact O-N 3.38Å
22D85.9Confident92.4Very high61 Ų6122.1 Ų22.133%0.32613%0.13SC..THydrogen-bonded Turntrans-79.4-26.2-179.1-174.454.9000113.7K19 R70 L197K19-D22 HydrophobicContact CD-CB 4.33Å; K19-D22 WeakPolarHBondContact CD-OD1 3.08Å; K19-D22 WeakPolarHBondContact CE-OD1 3.19Å; K19-D22 IonicContact NZ-OD1 2.71Å; K19-D22 PolarHBondContact NZ-OD1 3.12Å; D22-R70 PolarHBondContact O-NH2 3.19Å; D22-R70 IonicContact OD1-NH2 2.76Å; D22-R70 IonicContact OD2-NH2 3.11Å; D22-L197 HydrophobicContact CB-CD2 4.16Å
23L85Confident92.5Very high117 Ų11721.9 Ų21.961%0.61313%0.128SC*.THydrogen-bonded Turntrans-70-51.2179.3-178.562.5000109.6D21 R70D21-L23 WeakPolarHBondContact OD1-CA 3.21Å; D21-L23 WeakPolarHBondContact OD1-CB 3.42Å; D21-L23 PolarHBondContact OD1-N 3.16Å; L23-R70 PolarHBondContact O-NH1 2.75Å
24N84Confident92.4Very high64 Ų6421.9 Ų21.934%0.34213%0.128SC..THydrogen-bonded Turntrans-94.1-2.7-178.9-59.7-55.7000114.1D21 Y26D21-N24 PolarHBondContact OD1-N 3.42Å; D21-N24 WeakPolarHBondContact OD2-CB 3.34Å; D21-N24 PolarHBondContact OD2-ND2 3.31Å; N24-Y26 HydrophobicContact CB-CD2 3.69Å; N24-Y26 HydrophobicContact CB-CE2 3.44Å; N24-Y26 VanDerWaalsContact CB-CE2 3.44Å; N24-Y26 PolarHBondContact O-N 3.3Å
25I89.5Confident92.4Very high5 Ų521.9 Ų21.93%0.02613%0.128CC..THydrogen-bonded Turntrans57.247.3179.1-45-169.5000111.4Y16 K19 D21 R137 R138 W154Y16-I25 VanDerWaalsContact OH-CG2 3.23Å; Y16-I25 WeakPolarHBondContact OH-CG2 3.37Å; K19-I25 HydrophobicContact CD-CG2 4.33Å; D21-I25 CarbonylContact O-C 3.49Å; D21-I25 WeakPolarHBondContact O-CA 3.32Å; D21-I25 PolarHBondContact O-N 3.02Å; I25-R137 HydrophobicContact CB-CG 4.24Å; I25-R137 WeakPolarHBondContact CD1-O 3.48Å; I25-R137 WeakPolarHBondContact O-CD 3.39Å; I25-R137 WeakPolarHBondContact O-CG 3.4Å; I25-R138 VanDerWaalsContact CD1-O 3.26Å; I25-R138 WeakPolarHBondContact CD1-O 3.07Å; I25-W154 WeakPolarHBondContact O-CH2 3.2Å; I25-W154 VanDerWaalsContact O-CZ2 3.29Å; I25-W154 WeakPolarHBondContact O-CZ2 3.49Å
26Y90.5Very high92.4Very high14 Ų1421.8 Ų21.86%0.05513%0.128CC..EExtended strand (participates in β ladder)trans-79.7140.8168.6-73.1-68.5000110.8K19 G20 D21 N24 R137 H158 D160K19-Y26 CarbonylContact C-O 3.53Å; K19-Y26 VanDerWaalsContact CA-O 3.31Å; K19-Y26 WeakPolarHBondContact CA-O 3.4Å; G20-Y26 PolarHBondContact N-O 2.85Å; D21-Y26 HydrophobicContact CB-CD2 3.99Å; D21-Y26 PolarHBondContact N-O 2.93Å; D21-Y26 PolarHBondContact O-N 3.38Å; N24-Y26 HydrophobicContact CB-CD2 3.69Å; N24-Y26 HydrophobicContact CB-CE2 3.44Å; N24-Y26 VanDerWaalsContact CB-CE2 3.44Å; N24-Y26 PolarHBondContact O-N 3.3Å; Y26-R137 PolarHBondContact OH-NH2 3.39Å; Y26-H158 AromaticContact CD1-ND1 3.89Å; Y26-H158 AromaticContact CD2-ND1 3.9Å; Y26-H158 AromaticContact CG-ND1 3.6Å; Y26-D160 VanDerWaalsContact CZ-OD1 3.31Å; Y26-D160 PolarHBondContact OH-OD1 2.92Å
27P93.2Very high92.5Very high3 Ų322.4 Ų22.42%0.01913%0.133CC..EExtended strand (participates in β ladder)trans-84.3148.7-175.238.3-31.1000110.1Y16 T29 W154 N156Y16-P27 HydrophobicContact CD2-CB 3.7Å; Y16-P27 HydrophobicContact CE2-CB 3.6Å; P27-T29 WeakPolarHBondContact CB-O 3.48Å; P27-T29 PolarHBondContact O-N 2.91Å; P27-W154 HydrophobicContact CB-CD2 4.49Å; P27-W154 HydrophobicContact CB-CE3 4.33Å; P27-W154 HydrophobicContact CB-CH2 3.78Å; P27-W154 HydrophobicContact CB-CZ2 3.95Å; P27-W154 HydrophobicContact CB-CZ3 3.97Å; P27-W154 HydrophobicContact CG-CD2 3.97Å; P27-W154 HydrophobicContact CG-CE3 4.31Å; P27-W154 HydrophobicContact CG-CH2 3.93Å; P27-W154 HydrophobicContact CG-CZ2 3.56Å; P27-W154 HydrophobicContact CG-CZ3 4.28Å; P27-N156 HydrophobicContact CG-CB 4.12Å
28S92.4Very high92.6Very high27 Ų2722.9 Ų22.919%0.18914%0.135CC..SBendtrans-69.4-26.6173-56.90000112.3G18 K19 G20 N156G18-S28 PolarHBondContact O-N 2.83Å; K19-S28 PolarHBondContact N-OG 2.84Å; K19-S28 PolarHBondContact O-OG 2.68Å; G20-S28 PolarHBondContact N-OG 3.19Å; S28-N156 PolarHBondContact O-ND2 2.91Å
29T94.5Very high92.7Very high1 Ų126.4 Ų26.41%0.00616%0.164CC..SBendtrans-140.7153.9-177.357.70000110.6P27 R210 V211 S214P27-T29 WeakPolarHBondContact CB-O 3.48Å; P27-T29 PolarHBondContact O-N 2.91Å; T29-R210 HydrophobicContact CG2-CG 4.08Å; T29-V211 HydrophobicContact CG2-CB 4.5Å; T29-V211 HydrophobicContact CG2-CG2 3.99Å; T29-S214 WeakPolarHBondContact CB-OG 3.36Å; T29-S214 VanDerWaalsContact CG2-OG 3.25Å; T29-S214 WeakPolarHBondContact CG2-OG 3.3Å
30S95.6Very high93Very high7 Ų727.2 Ų27.25%0.04917%0.168CC..  trans-56.8159.5170.2-580000111.9L14 W154 N156 E218L14-S30 WeakPolarHBondContact CD2-O 3.29Å; S30-W154 CarbonylContact C-O 3.51Å; S30-W154 VanDerWaalsContact CA-O 3.23Å; S30-W154 WeakPolarHBondContact CA-O 3.45Å; S30-N156 PolarHBondContact OG-N 3.47Å; S30-E218 WeakPolarHBondContact CB-OE1 3.27Å; S30-E218 PolarHBondContact OG-OE1 2.71Å
31S97.3Very high93.4Very high0 Ų024.6 Ų24.60%014%0.141CC..EExtended strand (participates in β ladder)trans-141.6154.1173.457.70000110.5L14 R145 Q153 W154L14-S31 WeakPolarHBondContact O-CA 3.49Å; L14-S31 VanDerWaalsContact O-CB 3.29Å; L14-S31 WeakPolarHBondContact O-CB 3.47Å; S31-R145 PolarHBondContact OG-NH1 3.16Å; S31-Q153 CarbonylContact O-C 3.24Å; S31-Q153 WeakPolarHBondContact O-CA 3.43Å; S31-W154 PolarHBondContact N-O 2.85Å; S31-W154 PolarHBondContact O-N 2.92Å
32I98.5Very high93.8Very high0 Ų022.5 Ų22.50%013%0.131CC..EExtended strand (participates in β ladder)trans-134.9133180-61.6170.3000106.4L13 L14 V152 Q153 L167 E218 I221 I222 L225L13-I32 HydrophobicContact CD1-CG2 4.46Å; L13-I32 PolarHBondContact N-O 3.24Å; L14-I32 HydrophobicContact CB-CB 3.88Å; L14-I32 HydrophobicContact CB-CD1 4.47Å; L14-I32 HydrophobicContact CB-CG1 4.18Å; L14-I32 HydrophobicContact CD2-CD1 4.22Å; L14-I32 HydrophobicContact CD2-CG1 4.08Å; L14-I32 PolarHBondContact N-O 3.03Å; L14-I32 PolarHBondContact O-N 3.01Å; I32-V152 CarbonylContact C-O 3.58Å; I32-V152 VanDerWaalsContact CA-O 3.31Å; I32-V152 WeakPolarHBondContact CA-O 3.41Å; I32-Q153 HydrophobicContact CG1-CB 4.2Å; I32-Q153 HydrophobicContact CG1-CG 4.03Å; I32-L167 HydrophobicContact CD1-CD1 4.33Å; I32-L167 HydrophobicContact CG1-CD1 4.44Å; I32-L167 HydrophobicContact CG2-CD1 4.1Å; I32-E218 HydrophobicContact CD1-CG 4.24Å; I32-I221 HydrophobicContact CB-CG2 4.33Å; I32-I221 HydrophobicContact CD1-CB 4.16Å; I32-I221 HydrophobicContact CD1-CG2 3.76Å; I32-I221 HydrophobicContact CG2-CG2 4Å; I32-I222 HydrophobicContact CD1-CD1 4.17Å; I32-I222 HydrophobicContact CD1-CG1 3.74Å; I32-L225 HydrophobicContact CG2-CD1 4.29Å
33S98.1Very high94.3Very high0 Ų019.6 Ų19.60%012%0.116CC..EExtended strand (participates in β ladder)trans-132.8158.4178.457.80000112.9N10 I11 R145 F151 V152N10-S33 WeakPolarHBondContact OD1-CB 3.25Å; N10-S33 PolarHBondContact OD1-OG 2.83Å; I11-S33 CarbonylContact O-C 3.46Å; I11-S33 WeakPolarHBondContact O-CA 3.33Å; I11-S33 WeakPolarHBondContact O-CB 3.44Å; S33-R145 VanDerWaalsContact CB-NE 3.31Å; S33-R145 VanDerWaalsContact OG-CB 3.28Å; S33-R145 WeakPolarHBondContact OG-CB 3.29Å; S33-R145 VanDerWaalsContact OG-CD 3.24Å; S33-R145 WeakPolarHBondContact OG-CD 3.27Å; S33-R145 PolarHBondContact OG-NE 2.82Å; S33-F151 WeakPolarHBondContact O-CA 3.5Å; S33-V152 PolarHBondContact N-O 2.87Å; S33-V152 PolarHBondContact O-N 2.9Å
34L97.8Very high94.9Very high0 Ų018 Ų180%010%0.104CC..EExtended strand (participates in β ladder)trans-95.2123.3164.3-172.272.6000109.2N10 I11 L36 F151 L176 V178 V375N10-L34 CarbonylContact C-O 3.51Å; N10-L34 VanDerWaalsContact CA-O 3.22Å; N10-L34 WeakPolarHBondContact CA-O 3.27Å; I11-L34 HydrophobicContact CD1-CB 4.31Å; I11-L34 HydrophobicContact CD1-CD2 4.15Å; I11-L34 HydrophobicContact CG1-CB 3.73Å; I11-L34 HydrophobicContact CG1-CD2 4.35Å; I11-L34 PolarHBondContact N-O 3.22Å; I11-L34 PolarHBondContact O-N 2.84Å; L34-L36 HydrophobicContact CD2-CD2 3.99Å; L34-L36 HydrophobicContact CG-CD2 4.31Å; L34-F151 HydrophobicContact CD1-CD1 3.55Å; L34-F151 HydrophobicContact CD1-CD2 4.39Å; L34-F151 HydrophobicContact CD1-CE1 3.22Å; L34-F151 HydrophobicContact CD1-CE2 4.13Å; L34-F151 HydrophobicContact CD1-CG 4.16Å; L34-F151 HydrophobicContact CD1-CZ 3.56Å; L34-L176 HydrophobicContact CD1-CD2 4.17Å; L34-L176 HydrophobicContact CD2-CD2 4.15Å; L34-V178 HydrophobicContact CD2-CG2 3.57Å; L34-V375 HydrophobicContact CD1-CB 4.14Å; L34-V375 HydrophobicContact CD1-CG1 3.58Å; L34-V375 HydrophobicContact CD1-CG2 3.65Å; L34-V375 HydrophobicContact CD2-CG2 4.32Å; L34-V375 HydrophobicContact CG-CG1 4.3Å; L34-V375 HydrophobicContact CG-CG2 4.32Å
35T98.1Very high95.5Very high0 Ų015 Ų150%09%0.088CC..EExtended strand (participates in β ladder)trans-78.4130.4170-62.80000109.2P8 L148 G150 V375 G376P8-T35 HydrophobicContact CB-CG2 3.39Å; P8-T35 HydrophobicContact CG-CG2 3.26Å; T35-L148 WeakPolarHBondContact CG2-O 3.29Å; T35-L148 PolarHBondContact OG1-O 2.88Å; T35-G150 PolarHBondContact N-O 3.49Å; T35-V375 CarbonylContact O-C 3.45Å; T35-V375 WeakPolarHBondContact O-CA 3.49Å; T35-G376 PolarHBondContact O-N 3.39Å
36L97.5Very high95.9Very high0 Ų015.8 Ų15.80%010%0.095CC..BIsolated β-bridgetrans-95.4154-175.9-58.5-174000112.2P8 V9 I11 L34 Q38 V41 V178 I180 T373 E374P8-L36 WeakPolarHBondContact CB-O 3.34Å; V9-L36 HydrophobicContact CG1-CD1 4.39Å; V9-L36 WeakPolarHBondContact O-CB 3.27Å; V9-L36 PolarHBondContact O-N 2.67Å; I11-L36 HydrophobicContact CD1-CD2 4.4Å; I11-L36 HydrophobicContact CG1-CD2 4.17Å; I11-L36 HydrophobicContact CG2-CD1 3.72Å; I11-L36 HydrophobicContact CG2-CD2 4.46Å; I11-L36 HydrophobicContact CG2-CG 4.23Å; L34-L36 HydrophobicContact CD2-CD2 3.99Å; L34-L36 HydrophobicContact CG-CD2 4.31Å; L36-Q38 PolarHBondContact O-N 3.09Å; L36-V41 HydrophobicContact CB-CG2 3.47Å; L36-V41 VanDerWaalsContact CB-CG2 3.47Å; L36-V41 HydrophobicContact CD1-CG2 3.59Å; L36-V41 HydrophobicContact CG-CG2 4.19Å; L36-V178 HydrophobicContact CD2-CB 4.27Å; L36-V178 HydrophobicContact CD2-CG1 4.44Å; L36-V178 HydrophobicContact CD2-CG2 3.88Å; L36-I180 HydrophobicContact CD1-CD1 4.12Å; L36-T373 HydrophobicContact CB-CG2 4.31Å; L36-T373 HydrophobicContact CD1-CG2 4.06Å; L36-T373 HydrophobicContact CD2-CG2 4.1Å; L36-T373 HydrophobicContact CG-CG2 4.39Å; L36-E374 WeakPolarHBondContact CA-O 3.36Å
37N97.2Very high96.3Very high39 Ų3915.1 Ų15.121%0.2099%0.092CC..PPolyproline II helixtrans-63120177.3-171.9-20000111.6A39 H40 V41 E374N37-A39 VanDerWaalsContact C-N 3.26Å; N37-A39 PolarHBondContact O-N 3.32Å; N37-A39 WeakPolarHBondContact OD1-CB 3.35Å; N37-A39 PolarHBondContact OD1-N 3.46Å; N37-A39 VanDerWaalsContact OD1-N 3.07Å; N37-H40 PolarHBondContact O-N 3.45Å; N37-H40 VanDerWaalsContact O-N 3.11Å; N37-V41 PolarHBondContact O-N 3.24Å; N37-E374 HydrophobicContact CB-CG 3.98Å; N37-E374 PolarHBondContact N-O 2.52Å; N37-E374 PolarHBondContact ND2-OE1 3.07Å; N37-E374 VanDerWaalsContact ND2-OE1 3.08Å
38Q95.8Very high96.4Very high17 Ų1718.2 Ų18.28%0.07911%0.106CC..THydrogen-bonded Turntrans-66.1-26.2-174.7-64.2179.559.700113.5T6 C7 P8 L36 H40 N101 S377 G378T6-Q38 VanDerWaalsContact CB-OE1 3.28Å; T6-Q38 PolarHBondContact O-OE1 3.19Å; T6-Q38 PolarHBondContact OG1-OE1 2.6Å; C7-Q38 VanDerWaalsContact N-OE1 3.13Å; P8-Q38 VanDerWaalsContact CA-CG 3.45Å; P8-Q38 HydrophobicContact CB-CG 3.46Å; P8-Q38 VanDerWaalsContact CB-CG 3.46Å; P8-Q38 VanDerWaalsContact CD-CD 3.49Å; P8-Q38 HydrophobicContact CG-CG 4.27Å; P8-Q38 VanDerWaalsContact N-CD 3.34Å; L36-Q38 PolarHBondContact O-N 3.09Å; Q38-H40 PolarHBondContact O-N 3.35Å; Q38-N101 PolarHBondContact O-ND2 3.37Å; Q38-S377 PolarHBondContact NE2-O 3.36Å; Q38-G378 PolarHBondContact NE2-O 2.83Å
39A95.1Very high96.6Very high74 Ų7417 Ų1761%0.61210%0.097SC*.THydrogen-bonded Turntrans-61.2-29.4174.900000111.7N37 N101N37-A39 VanDerWaalsContact C-N 3.26Å; N37-A39 PolarHBondContact O-N 3.32Å; N37-A39 WeakPolarHBondContact OD1-CB 3.35Å; N37-A39 PolarHBondContact OD1-N 3.46Å; N37-A39 VanDerWaalsContact OD1-N 3.07Å; A39-N101 PolarHBondContact O-ND2 3.48Å
40H94.4Very high96.5Very high36 Ų3620.9 Ų20.917%0.16711%0.114CC..THydrogen-bonded Turntrans-100.6-40.3179.6-47.9140000112.4N37 Q38 G342 I343 I371 T373N37-H40 PolarHBondContact O-N 3.45Å; N37-H40 VanDerWaalsContact O-N 3.11Å; Q38-H40 PolarHBondContact O-N 3.35Å; H40-G342 VanDerWaalsContact CD2-CA 3.42Å; H40-G342 WeakPolarHBondContact CD2-CA 3.11Å; H40-I343 VanDerWaalsContact CE1-CG1 3.4Å; H40-I343 WeakPolarHBondContact CE1-CG1 3.16Å; H40-I371 HydrophobicContact CB-CG2 4.33Å; H40-T373 PolarHBondContact ND1-OG1 3.3Å
41V94.1Very high96.2Very high2 Ų226.7 Ų26.71%0.01215%0.145CC..SBendtrans-145.299.5-178.9-67.60000111.5V9 L36 N37 N101 F102 I180 I371 T373V9-V41 HydrophobicContact CB-CG2 4.4Å; V9-V41 HydrophobicContact CG2-CB 4.36Å; V9-V41 PolarHBondContact N-O 3.48Å; L36-V41 HydrophobicContact CB-CG2 3.47Å; L36-V41 VanDerWaalsContact CB-CG2 3.47Å; L36-V41 HydrophobicContact CD1-CG2 3.59Å; L36-V41 HydrophobicContact CG-CG2 4.19Å; N37-V41 PolarHBondContact O-N 3.24Å; V41-N101 WeakPolarHBondContact CA-OD1 3.49Å; V41-F102 HydrophobicContact CB-CD1 4.19Å; V41-F102 HydrophobicContact CB-CG 4.41Å; V41-F102 HydrophobicContact CG1-CB 4.03Å; V41-F102 HydrophobicContact CG1-CG 4.33Å; V41-I180 HydrophobicContact CG1-CD1 3.75Å; V41-I180 HydrophobicContact CG2-CD1 4.39Å; V41-I371 HydrophobicContact CG1-CD1 4.05Å; V41-I371 HydrophobicContact CG1-CG2 3.77Å; V41-T373 HydrophobicContact CG2-CG2 4.26Å
42G95.3Very high95.9Very high5 Ų531 Ų315%0.05217%0.167CC..EExtended strand (participates in β ladder)trans-160.2170.4-178.800000112.7C7 N101 F102C7-G42 VanDerWaalsContact O-CA 3.32Å; C7-G42 WeakPolarHBondContact O-CA 3.34Å; G42-N101 PolarHBondContact N-OD1 2.9Å; G42-N101 PolarHBondContact O-N 2.89Å; G42-N101 PolarHBondContact O-OD1 3.44Å; G42-F102 WeakPolarHBondContact O-CE1 3.31Å
43T96Very high95.6Very high1 Ų132.1 Ų32.11%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-116.2125.8176.6-56.60000109.2T6 C7 S98 E99 N100 S113 A117T6-T43 CarbonylContact C-O 3.55Å; T6-T43 VanDerWaalsContact CA-O 3.23Å; T6-T43 WeakPolarHBondContact CA-O 2.85Å; C7-T43 PolarHBondContact N-O 3.19Å; C7-T43 PolarHBondContact O-N 3.16Å; T43-S98 WeakPolarHBondContact CG2-OG 3.26Å; T43-E99 CarbonylContact C-O 3.57Å; T43-E99 WeakPolarHBondContact CA-O 3.39Å; T43-N100 WeakPolarHBondContact CB-OD1 3.35Å; T43-N100 WeakPolarHBondContact CG2-OD1 3.48Å; T43-N100 PolarHBondContact OG1-OD1 3.2Å; T43-S113 VanDerWaalsContact OG1-CB 3.26Å; T43-S113 WeakPolarHBondContact OG1-CB 3.24Å; T43-S113 PolarHBondContact OG1-OG 3.08Å; T43-A117 HydrophobicContact CG2-CB 4.37Å
44K97.5Very high95.3Very high83 Ų8340.3 Ų40.336%0.36121%0.209SC..EExtended strand (participates in β ladder)trans-90.8135.4164.2-175176.9176.9-1790108.6E4 V5 T6 S98 E99 I382E4-K44 VanDerWaalsContact OE2-CE 3.27Å; E4-K44 WeakPolarHBondContact OE2-CE 3.47Å; E4-K44 IonicContact OE2-NZ 3.69Å; E4-K44 PolarHBondContact OE2-NZ 3.39Å; V5-K44 CarbonylContact O-C 3.47Å; V5-K44 WeakPolarHBondContact O-CA 3.42Å; T6-K44 HydrophobicContact CG2-CB 4.02Å; T6-K44 HydrophobicContact CG2-CG 4.15Å; K44-S98 CarbonylContact O-C 3.42Å; K44-S98 VanDerWaalsContact O-CA 3.31Å; K44-S98 WeakPolarHBondContact O-CA 3.33Å; K44-E99 PolarHBondContact N-O 2.76Å; K44-E99 PolarHBondContact O-N 3.2Å; K44-I382 HydrophobicContact CD-CD1 4.04Å; K44-I382 HydrophobicContact CG-CD1 4.14Å
45T97.8Very high95.1Very high1 Ų146.2 Ų46.21%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-132125.7174.7-65.90000110E4 V5 V96 E97 S98 A117E4-T45 WeakPolarHBondContact CA-O 3.43Å; V5-T45 PolarHBondContact N-O 2.85Å; V5-T45 PolarHBondContact O-N 2.91Å; T45-V96 HydrophobicContact CG2-CG1 3.85Å; T45-E97 CarbonylContact C-O 3.38Å; T45-E97 VanDerWaalsContact CA-O 3.32Å; T45-E97 WeakPolarHBondContact CA-O 3.46Å; T45-S98 PolarHBondContact OG1-OG 2.82Å; T45-A117 VanDerWaalsContact OG1-CB 3.3Å; T45-A117 WeakPolarHBondContact OG1-CB 3.19Å
46A98.2Very high95Very high21 Ų2147.7 Ų47.717%0.17425%0.247CC..EExtended strand (participates in β ladder)trans-103.7133.9167.600000109.3V3 E4 V96 E97V3-A46 CarbonylContact O-C 3.32Å; V3-A46 WeakPolarHBondContact O-CA 3.49Å; E4-A46 HydrophobicContact CG-CB 3.92Å; A46-V96 WeakPolarHBondContact O-CA 3.33Å; A46-E97 PolarHBondContact N-O 3.08Å; A46-E97 PolarHBondContact O-N 3.49Å
47M97.1Very high94.9Very high0 Ų051.3 Ų51.30%027%0.266CS..EExtended strand (participates in β ladder)trans-134.8125.6-173.1-176.2-179.6-6900110.1L2 V3 L94 C95 V96 F118 A121 L122 M125L2-M47 CarbonylContact C-O 3.56Å; L2-M47 WeakPolarHBondContact CA-O 3.36Å; V3-M47 PolarHBondContact N-O 3.15Å; V3-M47 PolarHBondContact O-N 3.01Å; M47-L94 HydrophobicContact CE-CD2 3.86Å; M47-L94 HydrophobicContact CG-CD1 3.34Å; M47-L94 HydrophobicContact CG-CD2 3.66Å; M47-L94 HydrophobicContact CG-CG 3.72Å; M47-L94 HydrophobicContact SD-CD1 3.91Å; M47-L94 HydrophobicContact SD-CD2 3.64Å; M47-L94 HydrophobicContact SD-CG 4.28Å; M47-C95 WeakPolarHBondContact CA-O 3.39Å; M47-V96 HydrophobicContact CE-CG2 4.23Å; M47-V96 HydrophobicContact CG-CG2 4.17Å; M47-F118 HydrophobicContact CE-CD2 3.58Å; M47-F118 HydrophobicContact CE-CE2 3.8Å; M47-F118 HydrophobicContact CE-CG 4.28Å; M47-A121 HydrophobicContact CB-CB 4.19Å; M47-A121 HydrophobicContact CE-CB 3.54Å; M47-A121 HydrophobicContact SD-CB 3.92Å; M47-L122 HydrophobicContact CE-CD2 4.03Å; M47-L122 HydrophobicContact CE-CG 3.78Å; M47-L122 HydrophobicContact SD-CD2 3.63Å; M47-L122 HydrophobicContact SD-CG 3.93Å; M47-M125 HydrophobicContact CB-CE 4.06Å; M47-M125 HydrophobicContact CG-CE 3.58Å; M47-M125 HydrophobicContact CG-SD 4.22Å; M47-M125 WeakPolarHBondContact O-CE 3.13Å; M47-M125 HydrophobicContact SD-CE 4.02Å; M47-M125 HydrophobicContact SD-SD 4.08Å
48F96.1Very high94.8Very high69 Ų6950.2 Ų50.230%0.30326%0.259SS..EExtended strand (participates in β ladder)trans-133.8136.6-174.4171.5-106.5000112.5M1 L2 K50 L94 C95M1-F48 WeakPolarHBondContact O-CA 3.47Å; M1-F48 VanDerWaalsContact O-CD2 3.28Å; M1-F48 WeakPolarHBondContact O-CD2 3.48Å; L2-F48 HydrophobicContact CB-CD2 4.21Å; L2-F48 HydrophobicContact CD1-CB 3.92Å; L2-F48 HydrophobicContact CD1-CD2 4.46Å; F48-K50 HydrophobicContact CE1-CB 4.09Å; F48-K50 HydrophobicContact CE1-CD 3.64Å; F48-K50 HydrophobicContact CE1-CG 3.51Å; F48-K50 HydrophobicContact CE2-CB 4.34Å; F48-K50 HydrophobicContact CZ-CB 3.59Å; F48-K50 HydrophobicContact CZ-CD 3.52Å; F48-K50 HydrophobicContact CZ-CG 3.49Å; F48-K50 VanDerWaalsContact CZ-CG 3.49Å; F48-L94 WeakPolarHBondContact O-CD1 3.21Å; F48-C95 HydrophobicContact CB-CB 4.47Å; F48-C95 HydrophobicContact CD1-CB 4.41Å; F48-C95 PolarHBondContact N-O 3.32Å; F48-C95 PolarHBondContact O-N 3.18Å
49T96Very high94.8Very high1 Ų152.7 Ų52.71%0.00627%0.27CS..  trans-139.4141.8171.3-169.40000112.2M1 P90 F93 M125M1-T49 HydrophobicContact CB-CG2 4.04Å; M1-T49 PolarHBondContact N-O 3.39Å; M1-T49 PolarHBondContact O-N 3.12Å; T49-P90 HydrophobicContact CG2-CB 4.43Å; T49-P90 HydrophobicContact CG2-CG 4.17Å; T49-F93 PolarHBondContact OG1-O 3.21Å; T49-M125 HydrophobicContact CG2-CE 4.3Å; T49-M125 HydrophobicContact CG2-SD 3.56Å; T49-M125 VanDerWaalsContact CG2-SD 3.56Å
50K92.8Very high94.7Very high83 Ų8350.8 Ų50.836%0.36125%0.249SC..  trans-146.9155.6175.961.6172.1-167.7156.50110.8F48 D52 L53 S91F48-K50 HydrophobicContact CE1-CB 4.09Å; F48-K50 HydrophobicContact CE1-CD 3.64Å; F48-K50 HydrophobicContact CE1-CG 3.51Å; F48-K50 HydrophobicContact CE2-CB 4.34Å; F48-K50 HydrophobicContact CZ-CB 3.59Å; F48-K50 HydrophobicContact CZ-CD 3.52Å; F48-K50 HydrophobicContact CZ-CG 3.49Å; F48-K50 VanDerWaalsContact CZ-CG 3.49Å; K50-D52 WeakPolarHBondContact CD-OD1 3.33Å; K50-D52 VanDerWaalsContact CE-CG 3.48Å; K50-D52 WeakPolarHBondContact CE-OD1 3.32Å; K50-D52 WeakPolarHBondContact CE-OD2 3.4Å; K50-D52 WeakPolarHBondContact CG-OD1 3.26Å; K50-D52 VanDerWaalsContact NZ-CG 3.33Å; K50-D52 IonicContact NZ-OD1 3.69Å; K50-D52 PolarHBondContact NZ-OD1 3.29Å; K50-D52 IonicContact NZ-OD2 2.68Å; K50-D52 PolarHBondContact NZ-OD2 3.29Å; K50-D52 PolarHBondContact O-N 3.21Å; K50-D52 VanDerWaalsContact O-N 3.16Å; K50-L53 HydrophobicContact CG-CD1 4.34Å; K50-L53 HydrophobicContact CG-CD2 4.07Å; K50-L53 HydrophobicContact CG-CG 3.66Å; K50-L53 PolarHBondContact O-N 3.14Å; K50-S91 WeakPolarHBondContact O-CB 3.36Å
51N89.5Confident94.6Very high129 Ų12952 Ų5269%0.6926%0.257SS*.THydrogen-bonded Turntrans-57.2-31.3-172.5-67.6-5.5000114.5P90N51-P90 WeakPolarHBondContact OD1-CA 3.2Å; N51-P90 VanDerWaalsContact OD1-CB 3.28Å; N51-P90 WeakPolarHBondContact OD1-CB 3.46Å; N51-P90 PolarHBondContact OD1-O 3.37Å
52D90.2Very high94.6Very high89 Ų8954.1 Ų54.148%0.47628%0.279SS..THydrogen-bonded Turntrans-92.92.3-175.464.3-40.1000114.3K50 K54K50-D52 WeakPolarHBondContact CD-OD1 3.33Å; K50-D52 VanDerWaalsContact CE-CG 3.48Å; K50-D52 WeakPolarHBondContact CE-OD1 3.32Å; K50-D52 WeakPolarHBondContact CE-OD2 3.4Å; K50-D52 WeakPolarHBondContact CG-OD1 3.26Å; K50-D52 VanDerWaalsContact NZ-CG 3.33Å; K50-D52 IonicContact NZ-OD1 3.69Å; K50-D52 PolarHBondContact NZ-OD1 3.29Å; K50-D52 IonicContact NZ-OD2 2.68Å; K50-D52 PolarHBondContact NZ-OD2 3.29Å; K50-D52 PolarHBondContact O-N 3.21Å; K50-D52 VanDerWaalsContact O-N 3.16Å; D52-K54 PolarHBondContact O-N 3.33Å
53L92.3Very high94.4Very high24 Ų2461.1 Ų61.113%0.12631%0.308CS..  trans-58.1138.6170.8-71.4179.4000110.8K50 F93K50-L53 HydrophobicContact CG-CD1 4.34Å; K50-L53 HydrophobicContact CG-CD2 4.07Å; K50-L53 HydrophobicContact CG-CG 3.66Å; K50-L53 PolarHBondContact O-N 3.14Å; L53-F93 HydrophobicContact CB-CB 3.89Å; L53-F93 VanDerWaalsContact O-CD2 3.27Å; L53-F93 WeakPolarHBondContact O-CD2 3.47Å
54K92.7Very high94.3Very high173 Ų17367.5 Ų67.575%0.75234%0.34SS*.  trans-107.5-20.2-178-58.9-57.2180-173.30114D52 F93D52-K54 PolarHBondContact O-N 3.33Å; K54-F93 VanDerWaalsContact O-CE2 3.28Å; K54-F93 WeakPolarHBondContact O-CE2 3.26Å; K54-F93 VanDerWaalsContact O-CZ 3.28Å; K54-F93 WeakPolarHBondContact O-CZ 3.15Å
55E94Very high94.1Very high124 Ų12467.6 Ų67.658%0.57934%0.343SS*.SBendtrans-154158.9-179.963.5-178.617300110.4L57E55-L57 HydrophobicContact CG-CD2 4.2Å; E55-L57 HydrophobicContact CG-CG 4.35Å
56S94.8Very high93.8Very high31 Ų3178.4 Ų78.422%0.21738%0.384CS..  trans-86.2131.8171.9-63.40000110.2F93 L94S56-F93 WeakPolarHBondContact OG-CA 3.35Å; S56-L94 CarbonylContact C-O 3.28Å; S56-L94 WeakPolarHBondContact CA-O 3.42Å; S56-L94 WeakPolarHBondContact CB-O 3.27Å; S56-L94 PolarHBondContact OG-N 3.13Å; S56-L94 VanDerWaalsContact OG-N 3.12Å
57L95.1Very high93.5Very high76 Ų7678.1 Ų78.140%0.39838%0.379SS..EExtended strand (participates in β ladder)trans-115.7135.3179.5-66.3173.9000110.1E55 F67 L94 C95 V96E55-L57 HydrophobicContact CG-CD2 4.2Å; E55-L57 HydrophobicContact CG-CG 4.35Å; L57-F67 WeakPolarHBondContact O-CE2 3.47Å; L57-L94 PolarHBondContact N-O 3.07Å; L57-C95 WeakPolarHBondContact O-CA 3.19Å; L57-V96 PolarHBondContact O-N 3.15Å
58F96.2Very high93.1Very high16 Ų1680.6 Ų80.67%0.0740%0.395CS..EExtended strand (participates in β ladder)trans-124.9124175.9-174.5-103.8000110.4L60 M65 F67 P68 L71 V96F58-L60 HydrophobicContact CE1-CB 3.88Å; F58-L60 HydrophobicContact CZ-CB 4.29Å; F58-M65 HydrophobicContact CD1-CG 3.59Å; F58-M65 HydrophobicContact CD1-SD 4.05Å; F58-M65 HydrophobicContact CE1-CG 4.04Å; F58-M65 HydrophobicContact CE1-SD 3.87Å; F58-M65 PolarHBondContact O-N 3.21Å; F58-M65 VanDerWaalsContact O-O 3.06Å; F58-F67 HydrophobicContact CB-CB 4.43Å; F58-F67 HydrophobicContact CB-CD1 4.33Å; F58-F67 HydrophobicContact CB-CD2 3.59Å; F58-F67 HydrophobicContact CB-CE2 3.79Å; F58-F67 HydrophobicContact CB-CG 3.88Å; F58-F67 HydrophobicContact CB-CZ 4.25Å; F58-F67 HydrophobicContact CD2-CE1 4.16Å; F58-F67 HydrophobicContact CD2-CZ 4.16Å; F58-P68 HydrophobicContact CD1-CG 4.44Å; F58-P68 HydrophobicContact CE1-CG 4.18Å; F58-L71 HydrophobicContact CE2-CD1 4.13Å; F58-L71 HydrophobicContact CZ-CD1 4.35Å; F58-V96 CarbonylContact C-O 3.52Å; F58-V96 WeakPolarHBondContact CA-O 3.46Å; F58-V96 HydrophobicContact CD2-CB 3.88Å; F58-V96 HydrophobicContact CD2-CG1 3.78Å; F58-V96 HydrophobicContact CE2-CB 4.44Å; F58-V96 HydrophobicContact CE2-CG1 3.82Å
59K95.6Very high92.9Very high69 Ų6979.5 Ų79.530%0.340%0.403SS..EExtended strand (participates in β ladder)trans-123127.3178-174.5179.2170.9-158.80108.9G62 K63 I64 V96 E97 S98K59-G62 VanDerWaalsContact CE-C 3.43Å; K59-G62 WeakPolarHBondContact CE-O 3.4Å; K59-K63 WeakPolarHBondContact CA-O 3.22Å; K59-I64 HydrophobicContact CG-CG1 4.4Å; K59-V96 PolarHBondContact N-O 2.97Å; K59-E97 HydrophobicContact CB-CG 4.48Å; K59-E97 HydrophobicContact CD-CG 4.28Å; K59-E97 WeakPolarHBondContact CD-OE1 3.27Å; K59-E97 WeakPolarHBondContact CE-OE1 3.34Å; K59-E97 IonicContact NZ-OE1 3.55Å; K59-E97 PolarHBondContact NZ-OE1 2.78Å; K59-E97 CarbonylContact O-C 3.53Å; K59-E97 WeakPolarHBondContact O-CA 3.36Å; K59-S98 PolarHBondContact O-N 3.04Å
60L93.2Very high92.6Very high34 Ų3483.2 Ų83.218%0.17842%0.417CS..EExtended strand (participates in β ladder)trans-124.8122178.9178.263000109.7F58 G62 K63 M65 S98 T104F58-L60 HydrophobicContact CE1-CB 3.88Å; F58-L60 HydrophobicContact CZ-CB 4.29Å; L60-G62 PolarHBondContact O-N 3.45Å; L60-K63 PolarHBondContact N-O 3Å; L60-K63 PolarHBondContact O-N 2.81Å; L60-M65 HydrophobicContact CB-CE 4.15Å; L60-M65 HydrophobicContact CB-SD 4.12Å; L60-M65 HydrophobicContact CD2-CE 4.27Å; L60-M65 HydrophobicContact CD2-SD 4.21Å; L60-S98 CarbonylContact C-O 3.48Å; L60-S98 VanDerWaalsContact CA-O 3.29Å; L60-S98 WeakPolarHBondContact CA-O 3.48Å; L60-T104 HydrophobicContact CD2-CG2 4.34Å
61N92.1Very high92.6Very high62 Ų6279.9 Ų79.933%0.33240%0.403SS..THydrogen-bonded Turntrans47.654-178.4-57.4-25.4000112.4K63 S98 E99 N100 T104N61-K63 PolarHBondContact O-N 2.87Å; N61-K63 VanDerWaalsContact O-N 3.14Å; N61-S98 PolarHBondContact N-O 2.65Å; N61-E99 WeakPolarHBondContact OD1-CA 3.48Å; N61-N100 PolarHBondContact OD1-N 3.1Å; N61-T104 PolarHBondContact ND2-OG1 3.18Å
62G93.3Very high92.9Very high45 Ų4576.5 Ų76.546%0.46439%0.385SS..THydrogen-bonded Turntrans80.1-16.8-17900000115.6K59 L60K59-G62 VanDerWaalsContact CE-C 3.43Å; K59-G62 WeakPolarHBondContact CE-O 3.4Å; L60-G62 PolarHBondContact O-N 3.45Å
63K92.7Very high93Very high152 Ų15275.3 Ų75.366%0.66138%0.379SS*.EExtended strand (participates in β ladder)trans-101.4122.2-172.8-63.7-179.6-178.4178.30112K59 L60 N61K59-K63 WeakPolarHBondContact CA-O 3.22Å; L60-K63 PolarHBondContact N-O 3Å; L60-K63 PolarHBondContact O-N 2.81Å; N61-K63 PolarHBondContact O-N 2.87Å; N61-K63 VanDerWaalsContact O-N 3.14Å
64I94.2Very high93.1Very high136 Ų13674.2 Ų74.270%0.69737%0.373SS*.EExtended strand (participates in β ladder)trans-69.8131.4171-60.1173.8000108.4K59K59-I64 HydrophobicContact CG-CG1 4.4Å
65M92.2Very high93.2Very high85 Ų8566.2 Ų66.242%0.41934%0.338SS..EExtended strand (participates in β ladder)trans-145.6168.4176.964.5176.650.600111.3F58 L60 F67F58-M65 HydrophobicContact CD1-CG 3.59Å; F58-M65 HydrophobicContact CD1-SD 4.05Å; F58-M65 HydrophobicContact CE1-CG 4.04Å; F58-M65 HydrophobicContact CE1-SD 3.87Å; F58-M65 PolarHBondContact O-N 3.21Å; F58-M65 VanDerWaalsContact O-O 3.06Å; L60-M65 HydrophobicContact CB-CE 4.15Å; L60-M65 HydrophobicContact CB-SD 4.12Å; L60-M65 HydrophobicContact CD2-CE 4.27Å; L60-M65 HydrophobicContact CD2-SD 4.21Å; M65-F67 PolarHBondContact O-N 3.12Å
66R91Very high93.2Very high228 Ų22864.6 Ų64.686%0.8633%0.332SS*.PPolyproline II helixtrans-61.1136.9175.2-175.9176.9176174.60.2109.8P68R66-P68 WeakPolarHBondContact O-CD 3.35Å
67F92Very high93.2Very high14 Ų1464.2 Ų64.26%0.06133%0.329CS..PPolyproline II helixtrans-55.4124.6172.5-126-70.7000110.3L57 F58 M65 G69 L71 L72 V96 F118L57-F67 WeakPolarHBondContact O-CE2 3.47Å; F58-F67 HydrophobicContact CB-CB 4.43Å; F58-F67 HydrophobicContact CB-CD1 4.33Å; F58-F67 HydrophobicContact CB-CD2 3.59Å; F58-F67 HydrophobicContact CB-CE2 3.79Å; F58-F67 HydrophobicContact CB-CG 3.88Å; F58-F67 HydrophobicContact CB-CZ 4.25Å; F58-F67 HydrophobicContact CD2-CE1 4.16Å; F58-F67 HydrophobicContact CD2-CZ 4.16Å; M65-F67 PolarHBondContact O-N 3.12Å; F67-G69 PolarHBondContact O-N 3.28Å; F67-L71 HydrophobicContact CD1-CB 4.17Å; F67-L71 HydrophobicContact CE1-CB 4.13Å; F67-L72 HydrophobicContact CB-CD1 4.03Å; F67-L72 HydrophobicContact CB-CD2 3.78Å; F67-L72 HydrophobicContact CB-CG 3.86Å; F67-L72 HydrophobicContact CD1-CD2 3.74Å; F67-L72 HydrophobicContact CD1-CG 3.99Å; F67-L72 HydrophobicContact CD2-CD2 4.3Å; F67-L72 HydrophobicContact CE1-CD2 4.43Å; F67-L72 HydrophobicContact CG-CD2 3.67Å; F67-L72 HydrophobicContact CG-CG 4.11Å; F67-V96 HydrophobicContact CE2-CG2 4.41Å; F67-V96 HydrophobicContact CZ-CB 4.14Å; F67-V96 HydrophobicContact CZ-CG2 3.74Å; F67-F118 AromaticContact CE1-CE2 3.88Å; F67-F118 HydrophobicContact CE1-CE2 3.88Å; F67-F118 HydrophobicContact CE1-CZ 4.08Å; F67-F118 HydrophobicContact CZ-CE2 4.1Å
68P90.1Very high93.1Very high52 Ų5260.6 Ų60.634%0.33831%0.31SS..PPolyproline II helixtrans-61.1133.3177.6-23.133.2000110.9F58 R66 R70 L71 L72F58-P68 HydrophobicContact CD1-CG 4.44Å; F58-P68 HydrophobicContact CE1-CG 4.18Å; R66-P68 WeakPolarHBondContact O-CD 3.35Å; P68-R70 VanDerWaalsContact C-N 3.33Å; P68-R70 PolarHBondContact O-N 3.26Å; P68-L71 HydrophobicContact CB-CB 4.35Å; P68-L71 HydrophobicContact CB-CD1 4.26Å; P68-L71 HydrophobicContact CB-CG 4.06Å; P68-L71 HydrophobicContact CG-CD1 3.9Å; P68-L71 HydrophobicContact CG-CG 4.26Å; P68-L71 PolarHBondContact O-N 2.85Å; P68-L72 PolarHBondContact O-N 3.29Å; P68-L72 VanDerWaalsContact O-N 3.09Å
69G90.7Very high93.1Very high47 Ų4760.3 Ų60.349%0.48531%0.309SS..Hα-helixtrans-54-45.4-174.900000113.5F67 L71 L72 D73F67-G69 PolarHBondContact O-N 3.28Å; G69-L71 VanDerWaalsContact C-N 3.29Å; G69-L71 PolarHBondContact O-N 3.26Å; G69-L72 WeakPolarHBondContact O-CB 3.42Å; G69-L72 PolarHBondContact O-N 3.16Å; G69-L72 VanDerWaalsContact O-N 3.11Å; G69-D73 PolarHBondContact O-N 3.27Å
70R90.2Very high93Very high78 Ų7861.4 Ų61.429%0.29432%0.317SS..Hα-helixtrans-62.2-32.2176.4-73.2-69.9-172.2159.80.1113.3D22 L23 P68 D73 V74D22-R70 PolarHBondContact O-NH2 3.19Å; D22-R70 IonicContact OD1-NH2 2.76Å; D22-R70 IonicContact OD2-NH2 3.11Å; L23-R70 PolarHBondContact O-NH1 2.75Å; P68-R70 VanDerWaalsContact C-N 3.33Å; P68-R70 PolarHBondContact O-N 3.26Å; R70-D73 PolarHBondContact O-N 3.39Å; R70-V74 VanDerWaalsContact O-CG2 3.3Å; R70-V74 WeakPolarHBondContact O-CG2 3.37Å; R70-V74 PolarHBondContact O-N 3.39Å; R70-V74 VanDerWaalsContact O-N 3.13Å
71L93.5Very high93Very high13 Ų1363.3 Ų63.37%0.06832%0.322CS..Hα-helixtrans-73.9-33.6175.5-62.8-171.4000111.7F58 F67 P68 G69 D73 V74 L75 T115 F118F58-L71 HydrophobicContact CE2-CD1 4.13Å; F58-L71 HydrophobicContact CZ-CD1 4.35Å; F67-L71 HydrophobicContact CD1-CB 4.17Å; F67-L71 HydrophobicContact CE1-CB 4.13Å; P68-L71 HydrophobicContact CB-CB 4.35Å; P68-L71 HydrophobicContact CB-CD1 4.26Å; P68-L71 HydrophobicContact CB-CG 4.06Å; P68-L71 HydrophobicContact CG-CD1 3.9Å; P68-L71 HydrophobicContact CG-CG 4.26Å; P68-L71 PolarHBondContact O-N 2.85Å; G69-L71 VanDerWaalsContact C-N 3.29Å; G69-L71 PolarHBondContact O-N 3.26Å; L71-D73 VanDerWaalsContact C-N 3.34Å; L71-V74 PolarHBondContact O-N 2.8Å; L71-L75 PolarHBondContact O-N 2.86Å; L71-T115 HydrophobicContact CD2-CG2 4.06Å; L71-F118 HydrophobicContact CB-CD1 4.3Å; L71-F118 HydrophobicContact CB-CE1 3.94Å; L71-F118 HydrophobicContact CB-CZ 4.09Å; L71-F118 HydrophobicContact CD1-CD2 4.49Å; L71-F118 HydrophobicContact CD1-CG 4.4Å; L71-F118 HydrophobicContact CD2-CB 4.39Å; L71-F118 HydrophobicContact CD2-CD1 3.77Å; L71-F118 HydrophobicContact CD2-CE1 4.24Å; L71-F118 HydrophobicContact CD2-CG 4.14Å; L71-F118 HydrophobicContact CG-CD1 4.45Å; L71-F118 VanDerWaalsContact O-CE1 3.23Å; L71-F118 WeakPolarHBondContact O-CE1 2.98Å; L71-F118 WeakPolarHBondContact O-CZ 3.25Å
72L94.4Very high93.1Very high58 Ų5860.4 Ų60.430%0.30431%0.307SS..Hα-helixtrans-63-41.2170.4-67.9173.7000111.4F67 P68 G69 V74 L75 I76F67-L72 HydrophobicContact CB-CD1 4.03Å; F67-L72 HydrophobicContact CB-CD2 3.78Å; F67-L72 HydrophobicContact CB-CG 3.86Å; F67-L72 HydrophobicContact CD1-CD2 3.74Å; F67-L72 HydrophobicContact CD1-CG 3.99Å; F67-L72 HydrophobicContact CD2-CD2 4.3Å; F67-L72 HydrophobicContact CE1-CD2 4.43Å; F67-L72 HydrophobicContact CG-CD2 3.67Å; F67-L72 HydrophobicContact CG-CG 4.11Å; P68-L72 PolarHBondContact O-N 3.29Å; P68-L72 VanDerWaalsContact O-N 3.09Å; G69-L72 WeakPolarHBondContact O-CB 3.42Å; G69-L72 PolarHBondContact O-N 3.16Å; G69-L72 VanDerWaalsContact O-N 3.11Å; L72-V74 VanDerWaalsContact C-N 3.31Å; L72-V74 PolarHBondContact O-N 3.19Å; L72-L75 WeakPolarHBondContact O-CB 3.26Å; L72-L75 PolarHBondContact O-N 3.42Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 3.46Å
73D92.8Very high93.1Very high65 Ų6563.8 Ų63.835%0.34831%0.305SS..Hα-helixtrans-60.2-42.7175.5-66.4-26.9000111.7G69 R70 L71 I76 V77 R138G69-D73 PolarHBondContact O-N 3.27Å; R70-D73 PolarHBondContact O-N 3.39Å; L71-D73 VanDerWaalsContact C-N 3.34Å; D73-I76 PolarHBondContact O-N 3.43Å; D73-V77 PolarHBondContact O-N 3.43Å; D73-V77 VanDerWaalsContact O-N 3.14Å; D73-R138 PolarHBondContact O-NH1 3.21Å
74V93.7Very high93.1Very high0 Ų063.7 Ų63.70%031%0.311CS..Hα-helixtrans-64.1-43176174.50000111R70 L71 L72 I76 V77 A78 F118 L122 L135 R138R70-V74 VanDerWaalsContact O-CG2 3.3Å; R70-V74 WeakPolarHBondContact O-CG2 3.37Å; R70-V74 PolarHBondContact O-N 3.39Å; R70-V74 VanDerWaalsContact O-N 3.13Å; L71-V74 PolarHBondContact O-N 2.8Å; L72-V74 VanDerWaalsContact C-N 3.31Å; L72-V74 PolarHBondContact O-N 3.19Å; V74-I76 PolarHBondContact O-N 3.07Å; V74-V77 PolarHBondContact O-N 3.45Å; V74-A78 WeakPolarHBondContact O-CB 3.38Å; V74-A78 PolarHBondContact O-N 3.37Å; V74-F118 HydrophobicContact CB-CD1 4.4Å; V74-F118 HydrophobicContact CB-CE1 3.95Å; V74-F118 HydrophobicContact CG1-CD1 4.01Å; V74-F118 HydrophobicContact CG1-CE1 3.84Å; V74-L122 HydrophobicContact CG1-CD1 3.84Å; V74-L135 HydrophobicContact CG1-CB 4.05Å; V74-L135 HydrophobicContact CG1-CD2 4.16Å; V74-L135 VanDerWaalsContact CG2-O 3.3Å; V74-L135 WeakPolarHBondContact CG2-O 3.23Å; V74-R138 HydrophobicContact CG2-CB 4.18Å; V74-R138 HydrophobicContact CG2-CG 4.43Å
75L95.3Very high93Very high6 Ų662 Ų623%0.03130%0.304CS..Hα-helixtrans-57.7-48.9175.317760000111.8L71 L72 V77 A78 Q79 L94 F118 L122 Y126L71-L75 PolarHBondContact O-N 2.86Å; L72-L75 WeakPolarHBondContact O-CB 3.26Å; L72-L75 PolarHBondContact O-N 3.42Å; L75-V77 PolarHBondContact O-N 3.06Å; L75-A78 PolarHBondContact O-N 3.06Å; L75-Q79 HydrophobicContact CD1-CG 4.09Å; L75-Q79 WeakPolarHBondContact O-CG 3.43Å; L75-Q79 PolarHBondContact O-N 3Å; L75-L94 HydrophobicContact CD1-CD2 3.98Å; L75-L94 HydrophobicContact CD2-CB 4.23Å; L75-F118 HydrophobicContact CB-CZ 4.16Å; L75-L122 HydrophobicContact CD1-CD2 3.6Å; L75-Y126 HydrophobicContact CD1-CE2 4.33Å
76I95.1Very high93Very high89 Ų8961.2 Ų61.246%0.45632%0.318SS..Hα-helixtrans-59.8-47.6-179.2-68.9164.8000110.3L72 D73 V74 Q79 L80L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 3.46Å; D73-I76 PolarHBondContact O-N 3.43Å; V74-I76 PolarHBondContact O-N 3.07Å; I76-Q79 PolarHBondContact O-N 3.44Å; I76-L80 HydrophobicContact CG2-CD1 3.86Å; I76-L80 HydrophobicContact CG2-CG 4.36Å; I76-L80 WeakPolarHBondContact O-CB 3.24Å; I76-L80 VanDerWaalsContact O-CG 3.28Å; I76-L80 WeakPolarHBondContact O-CG 3.35Å; I76-L80 PolarHBondContact O-N 3.07Å
77V93.1Very high92.9Very high24 Ų2454.3 Ų54.315%0.14529%0.292CS..Hα-helixtrans-66-41.6179.3163.50000112.2D73 V74 L75 Q79 L80 R81 L135D73-V77 PolarHBondContact O-N 3.43Å; D73-V77 VanDerWaalsContact O-N 3.14Å; V74-V77 PolarHBondContact O-N 3.45Å; L75-V77 PolarHBondContact O-N 3.06Å; V77-Q79 VanDerWaalsContact C-N 3.34Å; V77-Q79 PolarHBondContact O-N 3.28Å; V77-L80 PolarHBondContact O-N 2.95Å; V77-R81 HydrophobicContact CG1-CG 4.34Å; V77-R81 WeakPolarHBondContact O-CB 3.37Å; V77-R81 WeakPolarHBondContact O-CG 3.35Å; V77-R81 PolarHBondContact O-N 3.41Å; V77-L135 HydrophobicContact CB-CD2 4.46Å; V77-L135 HydrophobicContact CG1-CD2 3.9Å
78A94.5Very high92.7Very high0 Ų059.2 Ų59.20%032%0.318CS..Hα-helixtrans-59.1-45.8176.200000111.6V74 L75 S82 L122 Y126 L128 L135V74-A78 WeakPolarHBondContact O-CB 3.38Å; V74-A78 PolarHBondContact O-N 3.37Å; L75-A78 PolarHBondContact O-N 3.06Å; A78-S82 WeakPolarHBondContact O-CB 3.35Å; A78-S82 PolarHBondContact O-N 2.73Å; A78-L122 HydrophobicContact CB-CB 4.18Å; A78-L122 HydrophobicContact CB-CD1 3.99Å; A78-L122 HydrophobicContact CB-CG 4.48Å; A78-Y126 HydrophobicContact CB-CD2 4.28Å; A78-L128 HydrophobicContact CB-CD1 3.73Å; A78-L135 HydrophobicContact CB-CD1 4.25Å; A78-L135 HydrophobicContact CB-CD2 4.14Å
79Q95.3Very high92.8Very high10 Ų1057.6 Ų57.65%0.04731%0.307CS..Hα-helixtrans-67.3-39177.3-70.1-179.7-2.100113L75 I76 V77 S82 R83 V89 S91 P92 Y126L75-Q79 HydrophobicContact CD1-CG 4.09Å; L75-Q79 WeakPolarHBondContact O-CG 3.43Å; L75-Q79 PolarHBondContact O-N 3Å; I76-Q79 PolarHBondContact O-N 3.44Å; V77-Q79 VanDerWaalsContact C-N 3.34Å; V77-Q79 PolarHBondContact O-N 3.28Å; Q79-S82 PolarHBondContact O-N 3.27Å; Q79-R83 WeakPolarHBondContact O-CB 3.43Å; Q79-R83 VanDerWaalsContact O-CG 3.3Å; Q79-R83 WeakPolarHBondContact O-CG 3.43Å; Q79-R83 PolarHBondContact O-N 2.84Å; Q79-V89 HydrophobicContact CB-CG1 4.21Å; Q79-V89 HydrophobicContact CB-CG2 4.42Å; Q79-V89 HydrophobicContact CG-CG1 3.8Å; Q79-S91 PolarHBondContact NE2-O 3.44Å; Q79-P92 PolarHBondContact NE2-O 2.99Å; Q79-Y126 HydrophobicContact CG-CD2 4.47Å; Q79-Y126 HydrophobicContact CG-CE2 3.67Å; Q79-Y126 PolarHBondContact NE2-OH 3.32Å
80L94.5Very high92.8Very high91 Ų9156.6 Ų56.648%0.47629%0.292SS..Hα-helixtrans-63.4-47.1176.5-75173.4000111.1I76 V77 S82 R83 L84I76-L80 HydrophobicContact CG2-CD1 3.86Å; I76-L80 HydrophobicContact CG2-CG 4.36Å; I76-L80 WeakPolarHBondContact O-CB 3.24Å; I76-L80 VanDerWaalsContact O-CG 3.28Å; I76-L80 WeakPolarHBondContact O-CG 3.35Å; I76-L80 PolarHBondContact O-N 3.07Å; V77-L80 PolarHBondContact O-N 2.95Å; L80-S82 PolarHBondContact O-N 2.82Å; L80-R83 PolarHBondContact O-N 3.07Å; L80-L84 VanDerWaalsContact O-CG 3.31Å; L80-L84 WeakPolarHBondContact O-CG 3.13Å; L80-L84 PolarHBondContact O-N 3.26Å
81R92.6Very high92.9Very high75 Ų7553.1 Ų53.128%0.28328%0.28SS..Hα-helixtrans-58.8-47.3175.5-73.3178.2173.4161.5-4.3111.4V77 R83 L84 D85 L128 D131 S134V77-R81 HydrophobicContact CG1-CG 4.34Å; V77-R81 WeakPolarHBondContact O-CB 3.37Å; V77-R81 WeakPolarHBondContact O-CG 3.35Å; V77-R81 PolarHBondContact O-N 3.41Å; R81-R83 VanDerWaalsContact C-N 3.32Å; R81-R83 PolarHBondContact O-N 3.32Å; R81-L84 PolarHBondContact O-N 3.49Å; R81-D85 PolarHBondContact O-N 3.34Å; R81-L128 HydrophobicContact CB-CD2 3.94Å; R81-D131 IonicContact CZ-OD2 3.65Å; R81-D131 IonicContact NE-OD2 2.57Å; R81-D131 PolarHBondContact NE-OD2 3.47Å; R81-D131 IonicContact NH1-OD1 3.4Å; R81-D131 IonicContact NH1-OD2 3.88Å; R81-D131 PolarHBondContact NH1-OD2 3.43Å; R81-D131 IonicContact NH2-OD2 3.9Å; R81-S134 PolarHBondContact NH1-OG 3.16Å
82S93.5Very high92.9Very high0 Ų055.7 Ų55.70%030%0.297CS..Hα-helixtrans-55.6-45.2175.5-176.20000112.7A78 Q79 L80 D85 G86 R87 V89A78-S82 WeakPolarHBondContact O-CB 3.35Å; A78-S82 PolarHBondContact O-N 2.73Å; Q79-S82 PolarHBondContact O-N 3.27Å; L80-S82 PolarHBondContact O-N 2.82Å; S82-D85 PolarHBondContact O-N 3.04Å; S82-G86 PolarHBondContact O-N 2.74Å; S82-R87 WeakPolarHBondContact O-CA 3.07Å; S82-R87 WeakPolarHBondContact O-CB 3.32Å; S82-R87 PolarHBondContact O-N 3.13Å; S82-R87 WeakPolarHBondContact OG-CB 3.39Å; S82-V89 WeakPolarHBondContact OG-CG2 3.41Å
83R94.1Very high93Very high116 Ų11656.2 Ų56.244%0.43830%0.297SS..Hα-helixtrans-67-39.1178.7-74176.6-179114.82.2112.3Q79 L80 R81 D85 G86 V89Q79-R83 WeakPolarHBondContact O-CB 3.43Å; Q79-R83 VanDerWaalsContact O-CG 3.3Å; Q79-R83 WeakPolarHBondContact O-CG 3.43Å; Q79-R83 PolarHBondContact O-N 2.84Å; L80-R83 PolarHBondContact O-N 3.07Å; R81-R83 VanDerWaalsContact C-N 3.32Å; R81-R83 PolarHBondContact O-N 3.32Å; R83-D85 VanDerWaalsContact C-N 3.27Å; R83-D85 PolarHBondContact O-N 3.24Å; R83-G86 PolarHBondContact O-N 2.83Å; R83-V89 HydrophobicContact CG-CB 4.38Å; R83-V89 HydrophobicContact CG-CG2 3.87Å
84L92.8Very high93.1Very high150 Ų15053.1 Ų53.179%0.78528%0.281SS*.Hα-helixtrans-63.6-35.1176.4-71.9170.4000111.8L80 R81 G86L80-L84 VanDerWaalsContact O-CG 3.31Å; L80-L84 WeakPolarHBondContact O-CG 3.13Å; L80-L84 PolarHBondContact O-N 3.26Å; R81-L84 PolarHBondContact O-N 3.49Å; L84-G86 PolarHBondContact O-N 2.83Å
85D91.5Very high93.2Very high100 Ų10054.7 Ų54.754%0.53529%0.291SS..THydrogen-bonded Turntrans-79.96.5174.5-66.7-12.1000113.2R81 S82 R83 R87R81-D85 PolarHBondContact O-N 3.34Å; S82-D85 PolarHBondContact O-N 3.04Å; R83-D85 VanDerWaalsContact C-N 3.27Å; R83-D85 PolarHBondContact O-N 3.24Å; D85-R87 HydrophobicContact CB-CG 4.24Å; D85-R87 PolarHBondContact O-N 3.17Å; D85-R87 IonicContact OD2-CZ 3.23Å; D85-R87 IonicContact OD2-NH1 2.74Å; D85-R87 PolarHBondContact OD2-NH1 2.66Å
86G91.6Very high93.4Very high70 Ų7054.6 Ų54.672%0.72229%0.291SS*.THydrogen-bonded Turntrans70.213.8-179.500000114.6S82 R83 L84S82-G86 PolarHBondContact O-N 2.74Å; R83-G86 PolarHBondContact O-N 2.83Å; L84-G86 PolarHBondContact O-N 2.83Å
87R90.7Very high93.5Very high82 Ų8253.9 Ų53.931%0.30929%0.286SS..  trans-84.6151.4179.6-60.2-175.1-175.1111.1-2.1111.6S82 D85 Y126 G127 D129S82-R87 WeakPolarHBondContact O-CA 3.07Å; S82-R87 WeakPolarHBondContact O-CB 3.32Å; S82-R87 PolarHBondContact O-N 3.13Å; S82-R87 WeakPolarHBondContact OG-CB 3.39Å; D85-R87 HydrophobicContact CB-CG 4.24Å; D85-R87 PolarHBondContact O-N 3.17Å; D85-R87 IonicContact OD2-CZ 3.23Å; D85-R87 IonicContact OD2-NH1 2.74Å; D85-R87 PolarHBondContact OD2-NH1 2.66Å; R87-Y126 WeakPolarHBondContact CD-O 3.49Å; R87-G127 PolarHBondContact NE-O 2.88Å; R87-G127 PolarHBondContact NH1-O 3.33Å; R87-G127 PolarHBondContact NH2-O 2.77Å; R87-D129 IonicContact NH2-OD2 3.32Å
88L87.3Confident93.6Very high117 Ų11753 Ų5361%0.61328%0.28SS*.  trans-69.7128.8-177.5-179.964.7000112.1M1 P90M1-L88 HydrophobicContact CE-CB 4.28Å; M1-L88 HydrophobicContact CE-CD2 3.97Å; M1-L88 HydrophobicContact CE-CG 4.2Å; L88-P90 HydrophobicContact CD2-CG 4.29Å; L88-P90 HydrophobicContact CG-CG 4.18Å
89V91.9Very high93.6Very high19 Ų1957.4 Ų57.412%0.11530%0.301CS..  trans-118.296.9166.4-179.20000107.9Q79 S82 R83 S91 Y126Q79-V89 HydrophobicContact CB-CG1 4.21Å; Q79-V89 HydrophobicContact CB-CG2 4.42Å; Q79-V89 HydrophobicContact CG-CG1 3.8Å; S82-V89 WeakPolarHBondContact OG-CG2 3.41Å; R83-V89 HydrophobicContact CG-CB 4.38Å; R83-V89 HydrophobicContact CG-CG2 3.87Å; V89-S91 VanDerWaalsContact C-N 3.28Å; V89-S91 WeakPolarHBondContact CG1-O 3.3Å; V89-S91 PolarHBondContact O-N 3.14Å; V89-Y126 HydrophobicContact CB-CE1 4.48Å; V89-Y126 HydrophobicContact CG1-CE1 4.1Å; V89-Y126 HydrophobicContact CG2-CD1 4.28Å; V89-Y126 HydrophobicContact CG2-CE1 4.28Å
90P89.6Confident93.6Very high25 Ų2558 Ų5816%0.16231%0.305CS..  trans-58.2-37.3-171.6-27.736.1000114.1M1 T49 N51 L88M1-P90 HydrophobicContact CE-CG 3.79Å; M1-P90 HydrophobicContact CG-CG 4.45Å; M1-P90 HydrophobicContact SD-CG 4Å; T49-P90 HydrophobicContact CG2-CB 4.43Å; T49-P90 HydrophobicContact CG2-CG 4.17Å; N51-P90 WeakPolarHBondContact OD1-CA 3.2Å; N51-P90 VanDerWaalsContact OD1-CB 3.28Å; N51-P90 WeakPolarHBondContact OD1-CB 3.46Å; N51-P90 PolarHBondContact OD1-O 3.37Å; L88-P90 HydrophobicContact CD2-CG 4.29Å; L88-P90 HydrophobicContact CG-CG 4.18Å
91S93.6Very high93.4Very high5 Ų557.7 Ų57.74%0.03530%0.304CS..  trans-149.4149.5-179.6177.70000109.8K50 Q79 V89 F93K50-S91 WeakPolarHBondContact O-CB 3.36Å; Q79-S91 PolarHBondContact NE2-O 3.44Å; V89-S91 VanDerWaalsContact C-N 3.28Å; V89-S91 WeakPolarHBondContact CG1-O 3.3Å; V89-S91 PolarHBondContact O-N 3.14Å; S91-F93 PolarHBondContact O-N 3.49Å; S91-F93 PolarHBondContact OG-N 3.37Å
92P93.3Very high93.2Very high67 Ų6754.8 Ų54.844%0.43529%0.293SS..SBendtrans-65.9-17.4166.729.6-35.6000112.2Q79Q79-P92 PolarHBondContact NE2-O 2.99Å
93F95.6Very high92.5Very high70 Ų7056 Ų5631%0.30730%0.3SS..  trans-99.1153.2-174.5-55.2-63.5000113.5T49 L53 K54 S56 S91T49-F93 PolarHBondContact OG1-O 3.21Å; L53-F93 HydrophobicContact CB-CB 3.89Å; L53-F93 VanDerWaalsContact O-CD2 3.27Å; L53-F93 WeakPolarHBondContact O-CD2 3.47Å; K54-F93 VanDerWaalsContact O-CE2 3.28Å; K54-F93 WeakPolarHBondContact O-CE2 3.26Å; K54-F93 VanDerWaalsContact O-CZ 3.28Å; K54-F93 WeakPolarHBondContact O-CZ 3.15Å; S56-F93 WeakPolarHBondContact OG-CA 3.35Å; S91-F93 PolarHBondContact O-N 3.49Å; S91-F93 PolarHBondContact OG-N 3.37Å
94L95.7Very high91.3Very high0 Ų052 Ų520%029%0.29CS..  trans-143.6134.4-173.2-168.571.9000111.2M47 F48 S56 L57 L75 V96 F118 L122 M125M47-L94 HydrophobicContact CE-CD2 3.86Å; M47-L94 HydrophobicContact CG-CD1 3.34Å; M47-L94 HydrophobicContact CG-CD2 3.66Å; M47-L94 HydrophobicContact CG-CG 3.72Å; M47-L94 HydrophobicContact SD-CD1 3.91Å; M47-L94 HydrophobicContact SD-CD2 3.64Å; M47-L94 HydrophobicContact SD-CG 4.28Å; F48-L94 WeakPolarHBondContact O-CD1 3.21Å; S56-L94 CarbonylContact C-O 3.28Å; S56-L94 WeakPolarHBondContact CA-O 3.42Å; S56-L94 WeakPolarHBondContact CB-O 3.27Å; S56-L94 PolarHBondContact OG-N 3.13Å; S56-L94 VanDerWaalsContact OG-N 3.12Å; L57-L94 PolarHBondContact N-O 3.07Å; L75-L94 HydrophobicContact CD1-CD2 3.98Å; L75-L94 HydrophobicContact CD2-CB 4.23Å; L94-V96 HydrophobicContact CD2-CG2 3.39Å; L94-V96 HydrophobicContact CG-CG2 3.67Å; L94-F118 HydrophobicContact CD2-CE2 4.03Å; L94-F118 HydrophobicContact CD2-CZ 4.46Å; L94-L122 HydrophobicContact CD2-CD2 4.12Å; L94-M125 HydrophobicContact CD1-CE 4.25Å; L94-M125 HydrophobicContact CD1-SD 3.86Å
95C96.5Very high89.7Confident33 Ų3347.7 Ų47.722%0.22327%0.272CS..EExtended strand (participates in β ladder)trans-96.6126.9165.7-61.30000108.9M47 F48 L57M47-C95 WeakPolarHBondContact CA-O 3.39Å; F48-C95 HydrophobicContact CB-CB 4.47Å; F48-C95 HydrophobicContact CD1-CB 4.41Å; F48-C95 PolarHBondContact N-O 3.32Å; F48-C95 PolarHBondContact O-N 3.18Å; L57-C95 WeakPolarHBondContact O-CA 3.19Å
96V97.7Very high87.9Confident4 Ų443 Ų432%0.02425%0.247CC..EExtended strand (participates in β ladder)trans-128.6125.9-179.8178.90000109.6T45 A46 M47 L57 F58 K59 F67 L94 F118T45-V96 HydrophobicContact CG2-CG1 3.85Å; A46-V96 WeakPolarHBondContact O-CA 3.33Å; M47-V96 HydrophobicContact CE-CG2 4.23Å; M47-V96 HydrophobicContact CG-CG2 4.17Å; L57-V96 PolarHBondContact O-N 3.15Å; F58-V96 CarbonylContact C-O 3.52Å; F58-V96 WeakPolarHBondContact CA-O 3.46Å; F58-V96 HydrophobicContact CD2-CB 3.88Å; F58-V96 HydrophobicContact CD2-CG1 3.78Å; F58-V96 HydrophobicContact CE2-CB 4.44Å; F58-V96 HydrophobicContact CE2-CG1 3.82Å; K59-V96 PolarHBondContact N-O 2.97Å; F67-V96 HydrophobicContact CE2-CG2 4.41Å; F67-V96 HydrophobicContact CZ-CB 4.14Å; F67-V96 HydrophobicContact CZ-CG2 3.74Å; L94-V96 HydrophobicContact CD2-CG2 3.39Å; L94-V96 HydrophobicContact CG-CG2 3.67Å; V96-F118 HydrophobicContact CG1-CD2 4.34Å; V96-F118 HydrophobicContact CG2-CD2 4.35Å; V96-F118 HydrophobicContact CG2-CE2 3.98Å
97E97.5Very high86.1Confident73 Ų7340.3 Ų40.334%0.34122%0.219SC..EExtended strand (participates in β ladder)trans-117.7124.2170.7-178.7159.6-148.100108.5T45 A46 K59T45-E97 CarbonylContact C-O 3.38Å; T45-E97 VanDerWaalsContact CA-O 3.32Å; T45-E97 WeakPolarHBondContact CA-O 3.46Å; A46-E97 PolarHBondContact N-O 3.08Å; A46-E97 PolarHBondContact O-N 3.49Å; K59-E97 HydrophobicContact CB-CG 4.48Å; K59-E97 HydrophobicContact CD-CG 4.28Å; K59-E97 WeakPolarHBondContact CD-OE1 3.27Å; K59-E97 WeakPolarHBondContact CE-OE1 3.34Å; K59-E97 IonicContact NZ-OE1 3.55Å; K59-E97 PolarHBondContact NZ-OE1 2.78Å; K59-E97 CarbonylContact O-C 3.53Å; K59-E97 WeakPolarHBondContact O-CA 3.36Å
98S95.8Very high84.8Confident5 Ų536.7 Ų36.74%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-128.3137.1-178-165.30000110.1T43 K44 T45 K59 L60 N61T43-S98 WeakPolarHBondContact CG2-OG 3.26Å; K44-S98 CarbonylContact O-C 3.42Å; K44-S98 VanDerWaalsContact O-CA 3.31Å; K44-S98 WeakPolarHBondContact O-CA 3.33Å; T45-S98 PolarHBondContact OG1-OG 2.82Å; K59-S98 PolarHBondContact O-N 3.04Å; L60-S98 CarbonylContact C-O 3.48Å; L60-S98 VanDerWaalsContact CA-O 3.29Å; L60-S98 WeakPolarHBondContact CA-O 3.48Å; N61-S98 PolarHBondContact N-O 2.65Å
99E95.4Very high83.8Confident93 Ų9332 Ų3244%0.43518%0.183SC..EExtended strand (participates in β ladder)trans-135.7128-177.3-63.7-171.3159.400110.3T43 K44 N61T43-E99 CarbonylContact C-O 3.57Å; T43-E99 WeakPolarHBondContact CA-O 3.39Å; K44-E99 PolarHBondContact N-O 2.76Å; K44-E99 PolarHBondContact O-N 3.2Å; N61-E99 WeakPolarHBondContact OD1-CA 3.48Å
100N93.7Very high83.2Confident23 Ų2332.3 Ų32.312%0.12319%0.187CC..EExtended strand (participates in β ladder)trans-97132.9172.8-62.6-35.6000108.9T43 N61 F102 T104T43-N100 WeakPolarHBondContact CB-OD1 3.35Å; T43-N100 WeakPolarHBondContact CG2-OD1 3.48Å; T43-N100 PolarHBondContact OG1-OD1 3.2Å; N61-N100 PolarHBondContact OD1-N 3.1Å; N100-F102 HydrophobicContact CB-CD1 4.04Å; N100-F102 HydrophobicContact CB-CE1 3.89Å; N100-F102 HydrophobicContact CB-CZ 4.26Å; N100-F102 PolarHBondContact O-N 2.97Å; N100-T104 PolarHBondContact ND2-OG1 2.91Å
101N91.8Very high83Confident85 Ų8534.3 Ų34.346%0.45520%0.201SC..SBendtrans-83.817.6170.665.8-2.2000112.9Q38 A39 V41 G42Q38-N101 PolarHBondContact O-ND2 3.37Å; A39-N101 PolarHBondContact O-ND2 3.48Å; V41-N101 WeakPolarHBondContact CA-OD1 3.49Å; G42-N101 PolarHBondContact N-OD1 2.9Å; G42-N101 PolarHBondContact O-N 2.89Å; G42-N101 PolarHBondContact O-OD1 3.44Å
102F87.3Confident82.8Confident14 Ų1434.1 Ų34.16%0.06120%0.2CC..SBendtrans-144.6161.8-178.465.3-85.4000111.6V9 V41 G42 N100 T104 L108 I371V9-F102 HydrophobicContact CG2-CD1 4.34Å; V9-F102 HydrophobicContact CG2-CE1 3.49Å; V9-F102 VanDerWaalsContact CG2-CE1 3.49Å; V9-F102 HydrophobicContact CG2-CE2 4.03Å; V9-F102 HydrophobicContact CG2-CZ 3.3Å; V41-F102 HydrophobicContact CB-CD1 4.19Å; V41-F102 HydrophobicContact CB-CG 4.41Å; V41-F102 HydrophobicContact CG1-CB 4.03Å; V41-F102 HydrophobicContact CG1-CG 4.33Å; G42-F102 WeakPolarHBondContact O-CE1 3.31Å; N100-F102 HydrophobicContact CB-CD1 4.04Å; N100-F102 HydrophobicContact CB-CE1 3.89Å; N100-F102 HydrophobicContact CB-CZ 4.26Å; N100-F102 PolarHBondContact O-N 2.97Å; F102-T104 PolarHBondContact O-N 3.44Å; F102-L108 HydrophobicContact CD2-CB 4.16Å; F102-L108 HydrophobicContact CD2-CD1 4.26Å; F102-L108 HydrophobicContact CE2-CB 4.15Å; F102-I371 HydrophobicContact CB-CD1 4.15Å
103P78.5Confident82.9Confident24 Ų2430.9 Ų30.916%0.15618%0.179CC..  trans-59.7121.8-177.6-23.733.7000112.9A106 L108 V182 E185P103-A106 HydrophobicContact CB-CB 4.44Å; P103-L108 HydrophobicContact CB-CD1 4.2Å; P103-L108 HydrophobicContact CG-CD1 4.38Å; P103-V182 HydrophobicContact CG-CG1 4.42Å; P103-E185 HydrophobicContact CB-CG 4.12Å
104T69.8Low82.9Confident34 Ų3428.4 Ų28.421%0.20917%0.173CC..SBendtrans-81.5-36.3-172.1-60.90000114L60 N61 N100 F102 A106 S110L60-T104 HydrophobicContact CD2-CG2 4.34Å; N61-T104 PolarHBondContact ND2-OG1 3.18Å; N100-T104 PolarHBondContact ND2-OG1 2.91Å; F102-T104 PolarHBondContact O-N 3.44Å; T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 3.33Å; T104-S110 PolarHBondContact O-OG 2.87Å
105S59.5Low82.8Confident59 Ų5928.9 Ų28.941%0.41318%0.176SC..THydrogen-bonded Turntrans-85.6-2.3-16742.80000114.6G107 E185 N186S105-G107 PolarHBondContact O-N 3.01Å; S105-E185 CarbonylContact C-O 3.52Å; S105-E185 VanDerWaalsContact C-O 3.28Å; S105-E185 WeakPolarHBondContact CB-O 3.25Å; S105-E185 PolarHBondContact OG-O 3.07Å; S105-N186 CarbonylContact O-C 3.54Å; S105-N186 VanDerWaalsContact O-C 3.32Å
106A52.5Low82.8Confident2 Ų227.3 Ų27.32%0.01717%0.165CC..THydrogen-bonded Turntrans-86-1.6-169.800000115P103 T104 L108 N184 E185 N290P103-A106 HydrophobicContact CB-CB 4.44Å; T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 3.33Å; A106-L108 HydrophobicContact CB-CD1 4.06Å; A106-L108 HydrophobicContact CB-CG 3.9Å; A106-L108 PolarHBondContact O-N 2.99Å; A106-N184 WeakPolarHBondContact CA-O 3.22Å; A106-N184 WeakPolarHBondContact CB-O 3.07Å; A106-E185 HydrophobicContact CB-CB 4.41Å; A106-E185 HydrophobicContact CB-CG 4.26Å; A106-N290 WeakPolarHBondContact CB-ND2 3.38Å; A106-N290 PolarHBondContact O-ND2 3.39Å
107G55.2Low82.8Confident12 Ų1227.1 Ų27.112%0.12416%0.164CC..SBendtrans71.15.1-169.700000114.9S105S105-G107 PolarHBondContact O-N 3.01Å
108L61.8Low82.7Confident6 Ų623.7 Ų23.73%0.03115%0.148CC..SBendtrans-51.9136.4150.4-60.9175.2000107F102 P103 A106 S110 I180 V182 N290 F292F102-L108 HydrophobicContact CD2-CB 4.16Å; F102-L108 HydrophobicContact CD2-CD1 4.26Å; F102-L108 HydrophobicContact CE2-CB 4.15Å; P103-L108 HydrophobicContact CB-CD1 4.2Å; P103-L108 HydrophobicContact CG-CD1 4.38Å; A106-L108 HydrophobicContact CB-CD1 4.06Å; A106-L108 HydrophobicContact CB-CG 3.9Å; A106-L108 PolarHBondContact O-N 2.99Å; L108-S110 PolarHBondContact O-N 2.91Å; L108-S110 PolarHBondContact O-OG 2.82Å; L108-I180 HydrophobicContact CD2-CG2 3.42Å; L108-I180 VanDerWaalsContact CD2-CG2 3.42Å; L108-V182 HydrophobicContact CD1-CG2 4.23Å; L108-N290 HydrophobicContact CD2-CB 3.96Å; L108-F292 HydrophobicContact CD2-CE1 4.02Å; L108-F292 HydrophobicContact CD2-CE2 4.46Å; L108-F292 HydrophobicContact CD2-CZ 3.63Å
109A68.2Low82.7Confident18 Ų1823.5 Ų23.515%0.14915%0.146CC..SBendtrans-67.950.6-165.200000115.5V9 S111 A112 S113V9-A109 HydrophobicContact CG1-CB 3.92Å; A109-S111 VanDerWaalsContact C-N 3.29Å; A109-S111 PolarHBondContact O-N 3.11Å; A109-A112 HydrophobicContact CB-CB 4.21Å; A109-A112 VanDerWaalsContact O-CB 3.31Å; A109-A112 WeakPolarHBondContact O-CB 3.41Å; A109-A112 PolarHBondContact O-N 3.47Å; A109-S113 PolarHBondContact O-N 2.96Å
110S77.9Confident82.7Confident27 Ų2720.7 Ų20.719%0.18913%0.133CC..Hα-helixtrans-60.2-33.3178.358.50000113.2T104 L108 A112 S113 G114T104-S110 PolarHBondContact O-OG 2.87Å; L108-S110 PolarHBondContact O-N 2.91Å; L108-S110 PolarHBondContact O-OG 2.82Å; S110-A112 VanDerWaalsContact C-N 3.26Å; S110-A112 PolarHBondContact O-N 2.91Å; S110-S113 PolarHBondContact O-OG 2.92Å; S110-G114 PolarHBondContact O-N 3.28Å
111S85.4Confident82.9Confident66 Ų6619.6 Ų19.646%0.46213%0.127SC..Hα-helixtrans-63.1-33.3172.5175.30000112.3A109 T115 S140A109-S111 VanDerWaalsContact C-N 3.29Å; A109-S111 PolarHBondContact O-N 3.11Å; S111-T115 WeakPolarHBondContact O-CB 3.44Å; S111-T115 PolarHBondContact O-N 2.78Å; S111-T115 VanDerWaalsContact O-N 3.12Å; S111-T115 PolarHBondContact O-OG1 2.83Å; S111-S140 PolarHBondContact OG-OG 3.4Å
112A90.8Very high83Confident1 Ų115.5 Ų15.51%0.00811%0.105CC..Hα-helixtrans-70.5-54.1-178.500000110.7A109 S110 A116 S143A109-A112 HydrophobicContact CB-CB 4.21Å; A109-A112 VanDerWaalsContact O-CB 3.31Å; A109-A112 WeakPolarHBondContact O-CB 3.41Å; A109-A112 PolarHBondContact O-N 3.47Å; S110-A112 VanDerWaalsContact C-N 3.26Å; S110-A112 PolarHBondContact O-N 2.91Å; A112-A116 VanDerWaalsContact O-CB 3.27Å; A112-A116 WeakPolarHBondContact O-CB 3.38Å; A112-A116 PolarHBondContact O-N 3.49Å; A112-S143 WeakPolarHBondContact O-CB 3.16Å
113S94.5Very high83.3Confident0 Ų014.9 Ų14.90%010%0.102CC..Hα-helixtrans-65.5-43.1-179.658.80000112.6C7 P8 T43 A109 S110 A116 A117C7-S113 WeakPolarHBondContact CB-O 3.16Å; P8-S113 WeakPolarHBondContact O-CA 3.2Å; P8-S113 VanDerWaalsContact O-CB 3.28Å; P8-S113 WeakPolarHBondContact O-CB 3.5Å; T43-S113 VanDerWaalsContact OG1-CB 3.26Å; T43-S113 WeakPolarHBondContact OG1-CB 3.24Å; T43-S113 PolarHBondContact OG1-OG 3.08Å; A109-S113 PolarHBondContact O-N 2.96Å; S110-S113 PolarHBondContact O-OG 2.92Å; S113-A116 PolarHBondContact O-N 3.12Å; S113-A117 WeakPolarHBondContact O-CB 3.34Å; S113-A117 PolarHBondContact O-N 2.8Å
114G94.7Very high84.1Confident17 Ų1714.6 Ų14.618%0.17510%0.101CC..Hα-helixtrans-66.9-41.218000000113.4S110 A117 F118S110-G114 PolarHBondContact O-N 3.28Å; G114-A117 PolarHBondContact O-N 2.82Å; G114-F118 WeakPolarHBondContact O-CB 3.39Å; G114-F118 PolarHBondContact O-N 3.41Å
115T94.9Very high85.3Confident10 Ų1013.1 Ų13.16%0.0619%0.091CC..Hα-helixtrans-69.3-39.2175.3-54.40000111.5L71 S111 F118 A119 S136L71-T115 HydrophobicContact CD2-CG2 4.06Å; S111-T115 WeakPolarHBondContact O-CB 3.44Å; S111-T115 PolarHBondContact O-N 2.78Å; S111-T115 VanDerWaalsContact O-N 3.12Å; S111-T115 PolarHBondContact O-OG1 2.83Å; T115-F118 PolarHBondContact O-N 2.94Å; T115-A119 WeakPolarHBondContact O-CB 3.23Å; T115-A119 PolarHBondContact O-N 2.9Å; T115-S136 WeakPolarHBondContact CG2-O 3.43Å
116A96Very high86.9Confident0 Ų010.5 Ų10.50%07%0.072CC..Hα-helixtrans-62.4-43.9174.900000111.3C7 A112 S113 F118 A119 F120 S136 L147C7-A116 HydrophobicContact CB-CB 4.09Å; C7-A116 VanDerWaalsContact SG-C 3.56Å; A112-A116 VanDerWaalsContact O-CB 3.27Å; A112-A116 WeakPolarHBondContact O-CB 3.38Å; A112-A116 PolarHBondContact O-N 3.49Å; S113-A116 PolarHBondContact O-N 3.12Å; A116-F118 VanDerWaalsContact C-N 3.33Å; A116-F118 PolarHBondContact O-N 3.42Å; A116-A119 PolarHBondContact O-N 3.03Å; A116-F120 WeakPolarHBondContact O-CB 3.37Å; A116-F120 PolarHBondContact O-N 2.88Å; A116-S136 WeakPolarHBondContact CA-OG 3.43Å; A116-L147 HydrophobicContact CB-CD2 4.13Å; A116-L147 HydrophobicContact CB-CG 4.49Å
117A96.8Very high88.7Confident0 Ų011.6 Ų11.60%08%0.083CC..Hα-helixtrans-59.8-44.1175.200000111.7V5 C7 T43 T45 S113 G114 A121V5-A117 HydrophobicContact CG2-CB 4.2Å; V5-A117 WeakPolarHBondContact CG2-O 3.21Å; C7-A117 HydrophobicContact CB-CB 3.86Å; C7-A117 WeakPolarHBondContact SG-CA 3.48Å; C7-A117 PolarHBondContact SG-N 2.98Å; T43-A117 HydrophobicContact CG2-CB 4.37Å; T45-A117 VanDerWaalsContact OG1-CB 3.3Å; T45-A117 WeakPolarHBondContact OG1-CB 3.19Å; S113-A117 WeakPolarHBondContact O-CB 3.34Å; S113-A117 PolarHBondContact O-N 2.8Å; G114-A117 PolarHBondContact O-N 2.82Å; A117-A121 VanDerWaalsContact O-CB 3.23Å; A117-A121 WeakPolarHBondContact O-CB 3.49Å; A117-A121 PolarHBondContact O-N 3.48Å
118F96.7Very high90.3Very high2 Ų211.2 Ų11.21%0.0098%0.079CC..Hα-helixtrans-62.8-48177.1-176.7-99.5000112.4M47 F67 L71 V74 L75 L94 V96 G114 T115 A116 A121 L122M47-F118 HydrophobicContact CE-CD2 3.58Å; M47-F118 HydrophobicContact CE-CE2 3.8Å; M47-F118 HydrophobicContact CE-CG 4.28Å; F67-F118 AromaticContact CE1-CE2 3.88Å; F67-F118 HydrophobicContact CE1-CE2 3.88Å; F67-F118 HydrophobicContact CE1-CZ 4.08Å; F67-F118 HydrophobicContact CZ-CE2 4.1Å; L71-F118 HydrophobicContact CB-CD1 4.3Å; L71-F118 HydrophobicContact CB-CE1 3.94Å; L71-F118 HydrophobicContact CB-CZ 4.09Å; L71-F118 HydrophobicContact CD1-CD2 4.49Å; L71-F118 HydrophobicContact CD1-CG 4.4Å; L71-F118 HydrophobicContact CD2-CB 4.39Å; L71-F118 HydrophobicContact CD2-CD1 3.77Å; L71-F118 HydrophobicContact CD2-CE1 4.24Å; L71-F118 HydrophobicContact CD2-CG 4.14Å; L71-F118 HydrophobicContact CG-CD1 4.45Å; L71-F118 VanDerWaalsContact O-CE1 3.23Å; L71-F118 WeakPolarHBondContact O-CE1 2.98Å; L71-F118 WeakPolarHBondContact O-CZ 3.25Å; V74-F118 HydrophobicContact CB-CD1 4.4Å; V74-F118 HydrophobicContact CB-CE1 3.95Å; V74-F118 HydrophobicContact CG1-CD1 4.01Å; V74-F118 HydrophobicContact CG1-CE1 3.84Å; L75-F118 HydrophobicContact CB-CZ 4.16Å; L94-F118 HydrophobicContact CD2-CE2 4.03Å; L94-F118 HydrophobicContact CD2-CZ 4.46Å; V96-F118 HydrophobicContact CG1-CD2 4.34Å; V96-F118 HydrophobicContact CG2-CD2 4.35Å; V96-F118 HydrophobicContact CG2-CE2 3.98Å; G114-F118 WeakPolarHBondContact O-CB 3.39Å; G114-F118 PolarHBondContact O-N 3.41Å; T115-F118 PolarHBondContact O-N 2.94Å; A116-F118 VanDerWaalsContact C-N 3.33Å; A116-F118 PolarHBondContact O-N 3.42Å; F118-A121 PolarHBondContact O-N 3.28Å; F118-L122 HydrophobicContact CD1-CD1 3.73Å; F118-L122 HydrophobicContact CD1-CG 4.49Å; F118-L122 HydrophobicContact CE1-CD1 3.24Å; F118-L122 HydrophobicContact CE1-CG 4.21Å; F118-L122 HydrophobicContact CE2-CD1 4.4Å; F118-L122 HydrophobicContact CZ-CD1 3.64Å; F118-L122 HydrophobicContact CZ-CG 4.3Å; F118-L122 WeakPolarHBondContact O-CB 3.12Å; F118-L122 WeakPolarHBondContact O-CG 3.37Å; F118-L122 PolarHBondContact O-N 3.02Å
119A95.6Very high90.8Very high0 Ų017.2 Ų17.20%011%0.111CC..Hα-helixtrans-64.7-41.4178.300000112.4T115 A116 L122 G123 L135T115-A119 WeakPolarHBondContact O-CB 3.23Å; T115-A119 PolarHBondContact O-N 2.9Å; A116-A119 PolarHBondContact O-N 3.03Å; A119-L122 PolarHBondContact O-N 3.21Å; A119-G123 PolarHBondContact O-N 3.11Å; A119-L135 HydrophobicContact CB-CB 3.94Å
120F95.9Very high90.8Very high34 Ų3419.1 Ų19.115%0.14913%0.133CC..Hα-helixtrans-65.2-42.8177.1-173.5-120.5000112.2V5 A116 G123 T124 Y132 L147 P379 L381V5-F120 HydrophobicContact CB-CD1 3.74Å; V5-F120 HydrophobicContact CB-CE1 4.14Å; V5-F120 HydrophobicContact CG1-CD1 3.52Å; V5-F120 HydrophobicContact CG1-CE1 3.73Å; V5-F120 HydrophobicContact CG2-CD1 4.22Å; A116-F120 WeakPolarHBondContact O-CB 3.37Å; A116-F120 PolarHBondContact O-N 2.88Å; F120-G123 PolarHBondContact O-N 2.84Å; F120-T124 WeakPolarHBondContact O-CB 3.43Å; F120-T124 PolarHBondContact O-N 3.44Å; F120-T124 PolarHBondContact O-OG1 3.26Å; F120-Y132 AromaticContact CD2-CD1 3.81Å; F120-Y132 HydrophobicContact CD2-CD1 3.81Å; F120-Y132 AromaticContact CD2-CE1 3.73Å; F120-Y132 HydrophobicContact CD2-CE1 3.73Å; F120-Y132 HydrophobicContact CD2-CG 4.24Å; F120-Y132 HydrophobicContact CE2-CE1 4.25Å; F120-L147 HydrophobicContact CB-CD2 4.3Å; F120-P379 HydrophobicContact CB-CB 4.5Å; F120-P379 HydrophobicContact CD1-CB 3.52Å; F120-P379 HydrophobicContact CD2-CB 4.19Å; F120-P379 HydrophobicContact CE1-CB 3.67Å; F120-P379 HydrophobicContact CE2-CB 4.31Å; F120-P379 HydrophobicContact CG-CB 3.82Å; F120-P379 HydrophobicContact CG-CG 4.41Å; F120-P379 HydrophobicContact CZ-CB 4.07Å; F120-L381 HydrophobicContact CE1-CB 4.47Å
121A96.3Very high90.7Very high0 Ų018.7 Ų18.70%013%0.128CC..Hα-helixtrans-64.1-42.6174.800000112.4V3 V5 M47 A117 F118 T124 M125V3-A121 HydrophobicContact CG1-CB 3.99Å; V5-A121 HydrophobicContact CG1-CB 4.37Å; V5-A121 HydrophobicContact CG2-CB 3.89Å; M47-A121 HydrophobicContact CB-CB 4.19Å; M47-A121 HydrophobicContact CE-CB 3.54Å; M47-A121 HydrophobicContact SD-CB 3.92Å; A117-A121 VanDerWaalsContact O-CB 3.23Å; A117-A121 WeakPolarHBondContact O-CB 3.49Å; A117-A121 PolarHBondContact O-N 3.48Å; F118-A121 PolarHBondContact O-N 3.28Å; A121-T124 PolarHBondContact O-N 3.5Å; A121-M125 VanDerWaalsContact O-CB 3.23Å; A121-M125 WeakPolarHBondContact O-CB 3.33Å; A121-M125 PolarHBondContact O-N 2.87Å
122L95.6Very high90.9Very high0 Ų018 Ų180%012%0.116CC..Hα-helixtrans-63.4-46.6176.4-79175.3000112.4M47 V74 L75 A78 L94 F118 A119 T124 M125 Y126M47-L122 HydrophobicContact CE-CD2 4.03Å; M47-L122 HydrophobicContact CE-CG 3.78Å; M47-L122 HydrophobicContact SD-CD2 3.63Å; M47-L122 HydrophobicContact SD-CG 3.93Å; V74-L122 HydrophobicContact CG1-CD1 3.84Å; L75-L122 HydrophobicContact CD1-CD2 3.6Å; A78-L122 HydrophobicContact CB-CB 4.18Å; A78-L122 HydrophobicContact CB-CD1 3.99Å; A78-L122 HydrophobicContact CB-CG 4.48Å; L94-L122 HydrophobicContact CD2-CD2 4.12Å; F118-L122 HydrophobicContact CD1-CD1 3.73Å; F118-L122 HydrophobicContact CD1-CG 4.49Å; F118-L122 HydrophobicContact CE1-CD1 3.24Å; F118-L122 HydrophobicContact CE1-CG 4.21Å; F118-L122 HydrophobicContact CE2-CD1 4.4Å; F118-L122 HydrophobicContact CZ-CD1 3.64Å; F118-L122 HydrophobicContact CZ-CG 4.3Å; F118-L122 WeakPolarHBondContact O-CB 3.12Å; F118-L122 WeakPolarHBondContact O-CG 3.37Å; F118-L122 PolarHBondContact O-N 3.02Å; A119-L122 PolarHBondContact O-N 3.21Å; L122-T124 VanDerWaalsContact C-N 3.29Å; L122-T124 PolarHBondContact O-N 3.05Å; L122-M125 PolarHBondContact O-N 2.94Å; L122-Y126 HydrophobicContact CD2-CD2 4.05Å; L122-Y126 HydrophobicContact CD2-CE2 3.61Å; L122-Y126 WeakPolarHBondContact O-CB 3.48Å; L122-Y126 PolarHBondContact O-N 3Å
123G94Very high90.9Very high0 Ų019 Ų190%012%0.122CC..Hα-helixtrans-64.7-36.4178.800000111.7A119 F120 G127 L128 Y132A119-G123 PolarHBondContact O-N 3.11Å; F120-G123 PolarHBondContact O-N 2.84Å; G123-G127 CarbonylContact O-C 3.12Å; G123-G127 VanDerWaalsContact O-CA 3.28Å; G123-G127 WeakPolarHBondContact O-CA 3.38Å; G123-G127 PolarHBondContact O-N 3.35Å; G123-L128 PolarHBondContact O-N 3.05Å; G123-Y132 VanDerWaalsContact CA-CE1 3.45Å
124T94Very high90.6Very high19 Ų1919.4 Ų19.412%0.11712%0.124CC..Hα-helixtrans-65.2-49.4172.4-56.50000111.3V3 F120 A121 L122 Y126 G127 L381 F384V3-T124 HydrophobicContact CG1-CG2 4.18Å; V3-T124 HydrophobicContact CG2-CG2 4.18Å; F120-T124 WeakPolarHBondContact O-CB 3.43Å; F120-T124 PolarHBondContact O-N 3.44Å; F120-T124 PolarHBondContact O-OG1 3.26Å; A121-T124 PolarHBondContact O-N 3.5Å; L122-T124 VanDerWaalsContact C-N 3.29Å; L122-T124 PolarHBondContact O-N 3.05Å; T124-Y126 VanDerWaalsContact C-N 3.33Å; T124-Y126 PolarHBondContact O-N 3.24Å; T124-G127 PolarHBondContact O-N 3.31Å; T124-L381 HydrophobicContact CG2-CD1 3.93Å; T124-L381 HydrophobicContact CG2-CD2 4.31Å; T124-F384 HydrophobicContact CG2-CD1 4.07Å; T124-F384 HydrophobicContact CG2-CE1 4.38Å; T124-F384 HydrophobicContact CG2-CG 4.23Å
125M94.2Very high90.4Very high3 Ų318.6 Ų18.62%0.01512%0.116CC..Hα-helixtrans-60.3-42.2-177178.9171.3-73.700112.4M1 V3 M47 T49 L94 A121 L122M1-M125 HydrophobicContact CB-CE 4.14Å; M1-M125 HydrophobicContact CB-CG 4.01Å; M1-M125 HydrophobicContact CB-SD 4.34Å; M1-M125 HydrophobicContact SD-CG 3.88Å; V3-M125 HydrophobicContact CB-CE 4.33Å; V3-M125 HydrophobicContact CG2-CB 3.85Å; V3-M125 HydrophobicContact CG2-CE 4.15Å; M47-M125 HydrophobicContact CB-CE 4.06Å; M47-M125 HydrophobicContact CG-CE 3.58Å; M47-M125 HydrophobicContact CG-SD 4.22Å; M47-M125 WeakPolarHBondContact O-CE 3.13Å; M47-M125 HydrophobicContact SD-CE 4.02Å; M47-M125 HydrophobicContact SD-SD 4.08Å; T49-M125 HydrophobicContact CG2-CE 4.3Å; T49-M125 HydrophobicContact CG2-SD 3.56Å; T49-M125 VanDerWaalsContact CG2-SD 3.56Å; L94-M125 HydrophobicContact CD1-CE 4.25Å; L94-M125 HydrophobicContact CD1-SD 3.86Å; A121-M125 VanDerWaalsContact O-CB 3.23Å; A121-M125 WeakPolarHBondContact O-CB 3.33Å; A121-M125 PolarHBondContact O-N 2.87Å; L122-M125 PolarHBondContact O-N 2.94Å
126Y93.9Very high90.4Very high4 Ų418.1 Ų18.12%0.01611%0.113CC..THydrogen-bonded Turntrans-103.89.6-175.5-61.2-44.8000113.7L75 A78 Q79 R87 V89 L122 T124 L128L75-Y126 HydrophobicContact CD1-CE2 4.33Å; A78-Y126 HydrophobicContact CB-CD2 4.28Å; Q79-Y126 HydrophobicContact CG-CD2 4.47Å; Q79-Y126 HydrophobicContact CG-CE2 3.67Å; Q79-Y126 PolarHBondContact NE2-OH 3.32Å; R87-Y126 WeakPolarHBondContact CD-O 3.49Å; V89-Y126 HydrophobicContact CB-CE1 4.48Å; V89-Y126 HydrophobicContact CG1-CE1 4.1Å; V89-Y126 HydrophobicContact CG2-CD1 4.28Å; V89-Y126 HydrophobicContact CG2-CE1 4.28Å; L122-Y126 HydrophobicContact CD2-CD2 4.05Å; L122-Y126 HydrophobicContact CD2-CE2 3.61Å; L122-Y126 WeakPolarHBondContact O-CB 3.48Å; L122-Y126 PolarHBondContact O-N 3Å; T124-Y126 VanDerWaalsContact C-N 3.33Å; T124-Y126 PolarHBondContact O-N 3.24Å; Y126-L128 PolarHBondContact O-N 2.86Å
127G90.4Very high90.2Very high24 Ų2418.3 Ų18.325%0.24711%0.114CC..THydrogen-bonded Turntrans62.931.3176.500000115.2R87 G123 T124 D129R87-G127 PolarHBondContact NE-O 2.88Å; R87-G127 PolarHBondContact NH1-O 3.33Å; R87-G127 PolarHBondContact NH2-O 2.77Å; G123-G127 CarbonylContact O-C 3.12Å; G123-G127 VanDerWaalsContact O-CA 3.28Å; G123-G127 WeakPolarHBondContact O-CA 3.38Å; G123-G127 PolarHBondContact O-N 3.35Å; T124-G127 PolarHBondContact O-N 3.31Å; G127-D129 VanDerWaalsContact C-N 3.32Å; G127-D129 PolarHBondContact O-N 2.81Å
128L88Confident89.8Confident5 Ų521.2 Ų21.23%0.02613%0.125CC..  trans-78.677.6-177.3-53.9175.3000111A78 R81 G123 Y126 G130 L135A78-L128 HydrophobicContact CB-CD1 3.73Å; R81-L128 HydrophobicContact CB-CD2 3.94Å; G123-L128 PolarHBondContact O-N 3.05Å; Y126-L128 PolarHBondContact O-N 2.86Å; L128-G130 PolarHBondContact O-N 2.89Å; L128-L135 HydrophobicContact CD1-CD1 3.7Å
129D72.5Confident89.6Confident131 Ų13121.6 Ų21.670%0.70113%0.129SC*.THydrogen-bonded Turntrans-57.4124.7-178.4-62.2-44.4000112.1R87 G127 D131R87-D129 IonicContact NH2-OD2 3.32Å; G127-D129 VanDerWaalsContact C-N 3.32Å; G127-D129 PolarHBondContact O-N 2.81Å; D129-D131 VanDerWaalsContact C-N 3.31Å; D129-D131 PolarHBondContact O-N 3.22Å
130G68.4Low89.3Confident59 Ų5922.5 Ų22.561%0.60814%0.135SC*.THydrogen-bonded Turntrans79.5-5.6171.400000116.9L128L128-G130 PolarHBondContact O-N 2.89Å
131D76.7Confident89.1Confident17 Ų1721 Ų219%0.09113%0.13CC..  trans-110.623.1-170.7-160.417.2000115.2R81 D129 T133 S134 L135 H161R81-D131 IonicContact CZ-OD2 3.65Å; R81-D131 IonicContact NE-OD2 2.57Å; R81-D131 PolarHBondContact NE-OD2 3.47Å; R81-D131 IonicContact NH1-OD1 3.4Å; R81-D131 IonicContact NH1-OD2 3.88Å; R81-D131 PolarHBondContact NH1-OD2 3.43Å; R81-D131 IonicContact NH2-OD2 3.9Å; D129-D131 VanDerWaalsContact C-N 3.31Å; D129-D131 PolarHBondContact O-N 3.22Å; D131-T133 VanDerWaalsContact C-N 3.26Å; D131-T133 PolarHBondContact O-N 3.18Å; D131-S134 VanDerWaalsContact CG-OG 3.23Å; D131-S134 WeakPolarHBondContact OD1-CB 3.45Å; D131-S134 PolarHBondContact OD1-OG 2.97Å; D131-S134 PolarHBondContact OD2-OG 3.22Å; D131-L135 WeakPolarHBondContact O-CG 3.32Å; D131-H161 IonicContact OD1-CE1 2.97Å; D131-H161 PolarHBondContact OD1-CE1 2.67Å; D131-H161 IonicContact OD1-ND1 3.41Å; D131-H161 PolarHBondContact OD1-ND1 2.96Å
132Y89.5Confident88.9Confident53 Ų5322.3 Ų22.321%0.20814%0.139CC..Hα-helixtrans-60.9-38.3174.3-57.2-72.5000111.8F120 G123 L135 S136 L147F120-Y132 AromaticContact CD2-CD1 3.81Å; F120-Y132 HydrophobicContact CD2-CD1 3.81Å; F120-Y132 AromaticContact CD2-CE1 3.73Å; F120-Y132 HydrophobicContact CD2-CE1 3.73Å; F120-Y132 HydrophobicContact CD2-CG 4.24Å; F120-Y132 HydrophobicContact CE2-CE1 4.25Å; G123-Y132 VanDerWaalsContact CA-CE1 3.45Å; Y132-L135 PolarHBondContact O-N 3.33Å; Y132-S136 VanDerWaalsContact O-CB 3.22Å; Y132-S136 WeakPolarHBondContact O-CB 3.25Å; Y132-S136 PolarHBondContact O-N 2.67Å; Y132-L147 VanDerWaalsContact C-CD1 3.42Å; Y132-L147 WeakPolarHBondContact O-CD1 3.45Å
133T89.8Confident88.9Confident21 Ų2122.3 Ų22.313%0.12914%0.139CC..Hα-helixtrans-63.2-46.4-174.6-56.20000112.5D131 R137 C144 L147 V164D131-T133 VanDerWaalsContact C-N 3.26Å; D131-T133 PolarHBondContact O-N 3.18Å; T133-R137 VanDerWaalsContact O-CB 3.23Å; T133-R137 WeakPolarHBondContact O-CB 3.33Å; T133-R137 PolarHBondContact O-N 2.63Å; T133-C144 HydrophobicContact CG2-CB 4.06Å; T133-L147 VanDerWaalsContact CA-CD1 3.46Å; T133-V164 HydrophobicContact CG2-CB 3.83Å; T133-V164 HydrophobicContact CG2-CG2 3.44Å; T133-V164 VanDerWaalsContact CG2-CG2 3.44Å
134S89.6Confident88.9Confident8 Ų822.3 Ų22.36%0.05614%0.139CC..Hα-helixtrans-69.6-40.3-179.582.10000111.5R81 D131 R137 R138R81-S134 PolarHBondContact NH1-OG 3.16Å; D131-S134 VanDerWaalsContact CG-OG 3.23Å; D131-S134 WeakPolarHBondContact OD1-CB 3.45Å; D131-S134 PolarHBondContact OD1-OG 2.97Å; D131-S134 PolarHBondContact OD2-OG 3.22Å; S134-R137 PolarHBondContact O-N 2.85Å; S134-R138 VanDerWaalsContact O-CB 3.3Å; S134-R138 WeakPolarHBondContact O-CB 3.45Å; S134-R138 PolarHBondContact O-N 2.74Å
135L90.7Very high89Confident0 Ų021.7 Ų21.70%013%0.134CC..Hα-helixtrans-61.7-47.6175.9-69.5174.6000111.3V74 V77 A78 A119 L128 D131 Y132 R138 G139V74-L135 HydrophobicContact CG1-CB 4.05Å; V74-L135 HydrophobicContact CG1-CD2 4.16Å; V74-L135 VanDerWaalsContact CG2-O 3.3Å; V74-L135 WeakPolarHBondContact CG2-O 3.23Å; V77-L135 HydrophobicContact CB-CD2 4.46Å; V77-L135 HydrophobicContact CG1-CD2 3.9Å; A78-L135 HydrophobicContact CB-CD1 4.25Å; A78-L135 HydrophobicContact CB-CD2 4.14Å; A119-L135 HydrophobicContact CB-CB 3.94Å; L128-L135 HydrophobicContact CD1-CD1 3.7Å; D131-L135 WeakPolarHBondContact O-CG 3.32Å; Y132-L135 PolarHBondContact O-N 3.33Å; L135-R138 PolarHBondContact O-N 3.21Å; L135-G139 PolarHBondContact O-N 3.22Å
136S93Very high89.1Confident0 Ų021.5 Ų21.50%013%0.133CC..Hα-helixtrans-62.4-50.7178.2-1650000110.6T115 A116 Y132 R138 G139 S140 S143T115-S136 WeakPolarHBondContact CG2-O 3.43Å; A116-S136 WeakPolarHBondContact CA-OG 3.43Å; Y132-S136 VanDerWaalsContact O-CB 3.22Å; Y132-S136 WeakPolarHBondContact O-CB 3.25Å; Y132-S136 PolarHBondContact O-N 2.67Å; S136-R138 VanDerWaalsContact C-N 3.29Å; S136-R138 PolarHBondContact O-N 3.37Å; S136-G139 PolarHBondContact O-N 3.14Å; S136-S140 PolarHBondContact O-N 2.98Å; S136-S143 PolarHBondContact O-OG 3.44Å; S136-S143 VanDerWaalsContact OG-C 3.26Å; S136-S143 VanDerWaalsContact OG-CB 3.29Å; S136-S143 WeakPolarHBondContact OG-CB 3.35Å; S136-S143 PolarHBondContact OG-O 3.03Å; S136-S143 PolarHBondContact OG-OG 2.8Å
137R92.4Very high89.1Confident4 Ų422.2 Ų22.22%0.01514%0.137CC..Hα-helixtrans-53.1-45.4177.1177.9174.662.1-116.24.9111.9I25 Y26 T133 S134 G139 S140 G141 C144 W154 D160I25-R137 HydrophobicContact CB-CG 4.24Å; I25-R137 WeakPolarHBondContact CD1-O 3.48Å; I25-R137 WeakPolarHBondContact O-CD 3.39Å; I25-R137 WeakPolarHBondContact O-CG 3.4Å; Y26-R137 PolarHBondContact OH-NH2 3.39Å; T133-R137 VanDerWaalsContact O-CB 3.23Å; T133-R137 WeakPolarHBondContact O-CB 3.33Å; T133-R137 PolarHBondContact O-N 2.63Å; S134-R137 PolarHBondContact O-N 2.85Å; R137-G139 VanDerWaalsContact C-N 3.28Å; R137-G139 PolarHBondContact O-N 3.28Å; R137-S140 CarbonylContact O-C 3.5Å; R137-S140 VanDerWaalsContact O-C 3.24Å; R137-S140 PolarHBondContact O-N 3.11Å; R137-G141 PolarHBondContact O-N 2.81Å; R137-C144 HydrophobicContact CB-CB 4.12Å; R137-W154 VanDerWaalsContact CD-CZ2 3.46Å; R137-W154 HydrophobicContact CG-CH2 4.34Å; R137-W154 HydrophobicContact CG-CZ2 3.87Å; R137-D160 PolarHBondContact NH1-O 2.84Å; R137-D160 VanDerWaalsContact NH1-O 3.12Å; R137-D160 PolarHBondContact NH2-O 2.8Å
138R89.7Confident89.4Confident62 Ų6223.9 Ų23.923%0.23414%0.14CC..Hα-helixtrans-63.5-30.5-179.4-169171.4-160.6-113.73.5113.5I25 D73 V74 S134 L135 S136I25-R138 VanDerWaalsContact CD1-O 3.26Å; I25-R138 WeakPolarHBondContact CD1-O 3.07Å; D73-R138 PolarHBondContact O-NH1 3.21Å; V74-R138 HydrophobicContact CG2-CB 4.18Å; V74-R138 HydrophobicContact CG2-CG 4.43Å; S134-R138 VanDerWaalsContact O-CB 3.3Å; S134-R138 WeakPolarHBondContact O-CB 3.45Å; S134-R138 PolarHBondContact O-N 2.74Å; L135-R138 PolarHBondContact O-N 3.21Å; S136-R138 VanDerWaalsContact C-N 3.29Å; S136-R138 PolarHBondContact O-N 3.37Å
139G91Very high89.8Confident10 Ų1023.9 Ų23.910%0.10314%0.141CC..Hα-helixtrans-77-43.7171.800000112.5L135 S136 R137L135-G139 PolarHBondContact O-N 3.22Å; S136-G139 PolarHBondContact O-N 3.14Å; R137-G139 VanDerWaalsContact C-N 3.28Å; R137-G139 PolarHBondContact O-N 3.28Å
140S90.6Very high91Very high18 Ų1817.6 Ų17.613%0.12611%0.108CC..  trans-163.6123-179.6-178.70000110.6S111 S136 R137 S142 S143S111-S140 PolarHBondContact OG-OG 3.4Å; S136-S140 PolarHBondContact O-N 2.98Å; R137-S140 CarbonylContact O-C 3.5Å; R137-S140 VanDerWaalsContact O-C 3.24Å; R137-S140 PolarHBondContact O-N 3.11Å; S140-S142 VanDerWaalsContact C-N 3.34Å; S140-S142 PolarHBondContact O-N 2.92Å; S140-S143 VanDerWaalsContact O-CB 3.29Å; S140-S143 WeakPolarHBondContact O-CB 3.39Å; S140-S143 PolarHBondContact O-N 3.36Å; S140-S143 PolarHBondContact O-OG 3.26Å
141G91.3Very high92.5Very high3 Ų314.8 Ų14.83%0.0318%0.079CC..G310 helixtrans-56.9-42.5-173.200000113.7R137 S143 C144 W154R137-G141 PolarHBondContact O-N 2.81Å; G141-S143 PolarHBondContact O-N 2.71Å; G141-C144 PolarHBondContact O-SG 2.92Å; G141-W154 VanDerWaalsContact C-CZ3 3.5Å; G141-W154 VanDerWaalsContact O-CZ3 3.26Å; G141-W154 WeakPolarHBondContact O-CZ3 3.13Å
142S92.8Very high93.5Very high27 Ų2714 Ų1419%0.1898%0.075CC..G310 helixtrans-68.2-19.2178.554.70000114.2N10 S140 C144N10-S142 PolarHBondContact ND2-O 2.82Å; S140-S142 VanDerWaalsContact C-N 3.34Å; S140-S142 PolarHBondContact O-N 2.92Å; S142-C144 VanDerWaalsContact C-N 3.33Å; S142-C144 PolarHBondContact O-N 3.41Å
143S94.5Very high93.9Very high0 Ų012.1 Ų12.10%07%0.068CC..G310 helixtrans-70.3-27.6-178.172.10000113.3A112 S136 S140 G141 R145 S146A112-S143 WeakPolarHBondContact O-CB 3.16Å; S136-S143 PolarHBondContact O-OG 3.44Å; S136-S143 VanDerWaalsContact OG-C 3.26Å; S136-S143 VanDerWaalsContact OG-CB 3.29Å; S136-S143 WeakPolarHBondContact OG-CB 3.35Å; S136-S143 PolarHBondContact OG-O 3.03Å; S136-S143 PolarHBondContact OG-OG 2.8Å; S140-S143 VanDerWaalsContact O-CB 3.29Å; S140-S143 WeakPolarHBondContact O-CB 3.39Å; S140-S143 PolarHBondContact O-N 3.36Å; S140-S143 PolarHBondContact O-OG 3.26Å; G141-S143 PolarHBondContact O-N 2.71Å; S143-R145 PolarHBondContact O-N 2.86Å; S143-S146 WeakPolarHBondContact O-CB 3.48Å; S143-S146 PolarHBondContact O-N 3.21Å
144C93.9Very high94.1Very high0 Ų011.1 Ų11.10%06%0.062CC..G310 helixtrans-62.1-29.3-179.469.80000112.3T133 R137 G141 S142 S146 L147 V164T133-C144 HydrophobicContact CG2-CB 4.06Å; R137-C144 HydrophobicContact CB-CB 4.12Å; G141-C144 PolarHBondContact O-SG 2.92Å; S142-C144 VanDerWaalsContact C-N 3.33Å; S142-C144 PolarHBondContact O-N 3.41Å; C144-S146 VanDerWaalsContact C-N 3.31Å; C144-S146 PolarHBondContact O-N 2.84Å; C144-L147 WeakPolarHBondContact O-CB 3.32Å; C144-L147 PolarHBondContact O-N 3.21Å; C144-V164 HydrophobicContact CB-CG2 4.08Å
145R95.5Very high94.3Very high6 Ų611.6 Ų11.62%0.0237%0.065CC..G310 helixtrans-74.4-19.1174.7-59-171.1-52.6-92.3-9.3113.7N10 S31 S33 S143 L147 V152 W154N10-R145 PolarHBondContact OD1-NE 3.14Å; N10-R145 PolarHBondContact OD1-NH2 3.41Å; S31-R145 PolarHBondContact OG-NH1 3.16Å; S33-R145 VanDerWaalsContact CB-NE 3.31Å; S33-R145 VanDerWaalsContact OG-CB 3.28Å; S33-R145 WeakPolarHBondContact OG-CB 3.29Å; S33-R145 VanDerWaalsContact OG-CD 3.24Å; S33-R145 WeakPolarHBondContact OG-CD 3.27Å; S33-R145 PolarHBondContact OG-NE 2.82Å; S143-R145 PolarHBondContact O-N 2.86Å; R145-L147 PolarHBondContact O-N 3.25Å; R145-V152 HydrophobicContact CB-CB 4.26Å; R145-V152 HydrophobicContact CB-CG1 3.95Å; R145-V152 HydrophobicContact CG-CG1 4.21Å; R145-W154 HydrophobicContact CG-CB 3.78Å
146S96.3Very high94.2Very high0 Ų013.9 Ų13.90%08%0.077CC..G310 helixtrans-77-5.6172.6-76.70000113.2P8 N10 S143 C144 L148 P379P8-S146 VanDerWaalsContact CD-O 3.31Å; P8-S146 WeakPolarHBondContact CD-O 3.41Å; P8-S146 VanDerWaalsContact CG-O 3.3Å; P8-S146 WeakPolarHBondContact CG-O 3.22Å; P8-S146 WeakPolarHBondContact O-CB 3.26Å; P8-S146 PolarHBondContact O-OG 3.03Å; N10-S146 PolarHBondContact ND2-OG 2.91Å; S143-S146 WeakPolarHBondContact O-CB 3.48Å; S143-S146 PolarHBondContact O-N 3.21Å; C144-S146 VanDerWaalsContact C-N 3.31Å; C144-S146 PolarHBondContact O-N 2.84Å; S146-L148 VanDerWaalsContact C-N 3.28Å; S146-P379 WeakPolarHBondContact O-CD 3.28Å
147L95Very high93.5Very high19 Ų1918.9 Ų18.910%0.09910%0.104CC..G310 helixtrans-81.1-7.7177.3-65.9172000113.8A116 F120 Y132 T133 C144 R145 P379A116-L147 HydrophobicContact CB-CD2 4.13Å; A116-L147 HydrophobicContact CB-CG 4.49Å; F120-L147 HydrophobicContact CB-CD2 4.3Å; Y132-L147 VanDerWaalsContact C-CD1 3.42Å; Y132-L147 WeakPolarHBondContact O-CD1 3.45Å; T133-L147 VanDerWaalsContact CA-CD1 3.46Å; C144-L147 WeakPolarHBondContact O-CB 3.32Å; C144-L147 PolarHBondContact O-N 3.21Å; R145-L147 PolarHBondContact O-N 3.25Å; L147-P379 HydrophobicContact CD2-CG 4.07Å; L147-P379 WeakPolarHBondContact O-CD 3.44Å
148L95.7Very high92.4Very high58 Ų5824.4 Ų24.430%0.30413%0.13SC..SBendtrans-127.7152.2177.9-61.9175.6000109.9T35 S146 V152 V164 Q166T35-L148 WeakPolarHBondContact CG2-O 3.29Å; T35-L148 PolarHBondContact OG1-O 2.88Å; S146-L148 VanDerWaalsContact C-N 3.28Å; L148-V152 HydrophobicContact CB-CG1 4.16Å; L148-V152 HydrophobicContact CB-CG2 3.71Å; L148-V152 HydrophobicContact CD1-CG1 4.21Å; L148-V164 HydrophobicContact CD1-CG1 4Å; L148-Q166 HydrophobicContact CB-CB 4.43Å; L148-Q166 HydrophobicContact CD1-CB 4.15Å
149G97.1Very high91.1Very high5 Ų526.6 Ų26.65%0.05215%0.146CC..SBendtrans-85171.5176.200000112.9Q166 G376G149-Q166 PolarHBondContact O-NE2 2.86Å; G149-G376 WeakPolarHBondContact CA-O 3.3Å
150G98.3Very high89.5Confident0 Ų029.5 Ų29.50%016%0.159CC..SBendtrans72.3-131172.500000113.5T35 F168 G376T35-G150 PolarHBondContact N-O 3.49Å; G150-F168 WeakPolarHBondContact CA-O 3.31Å; G150-G376 PolarHBondContact N-O 3.38Å
151F98.7Very high87.8Confident0 Ų033.8 Ų33.80%018%0.177CC..EExtended strand (participates in β ladder)trans-105.3121.4179.3-58.8-97.5000108.8L13 S33 L34 L167 F168 W173 L176 L225 V375L13-F151 HydrophobicContact CD1-CD1 4.21Å; L13-F151 HydrophobicContact CD1-CE1 4.5Å; S33-F151 WeakPolarHBondContact O-CA 3.5Å; L34-F151 HydrophobicContact CD1-CD1 3.55Å; L34-F151 HydrophobicContact CD1-CD2 4.39Å; L34-F151 HydrophobicContact CD1-CE1 3.22Å; L34-F151 HydrophobicContact CD1-CE2 4.13Å; L34-F151 HydrophobicContact CD1-CG 4.16Å; L34-F151 HydrophobicContact CD1-CZ 3.56Å; F151-L167 HydrophobicContact CB-CB 4.35Å; F151-L167 WeakPolarHBondContact O-CB 3.35Å; F151-L167 PolarHBondContact O-N 2.84Å; F151-F168 HydrophobicContact CB-CB 4.31Å; F151-F168 HydrophobicContact CB-CD2 4.31Å; F151-F168 HydrophobicContact CD2-CB 3.77Å; F151-F168 HydrophobicContact CG-CB 4.41Å; F151-F168 PolarHBondContact N-O 2.84Å; F151-F168 PolarHBondContact O-N 2.96Å; F151-W173 HydrophobicContact CE2-CB 4.23Å; F151-W173 HydrophobicContact CZ-CB 4.12Å; F151-W173 HydrophobicContact CZ-CE3 4.21Å; F151-L176 HydrophobicContact CE1-CD2 3.88Å; F151-L176 HydrophobicContact CZ-CD2 3.75Å; F151-L225 HydrophobicContact CB-CD1 4.13Å; F151-L225 HydrophobicContact CD1-CD1 3.68Å; F151-L225 HydrophobicContact CD1-CD2 3.35Å; F151-L225 HydrophobicContact CD1-CG 4.14Å; F151-L225 HydrophobicContact CE1-CD1 4.4Å; F151-L225 HydrophobicContact CE1-CD2 3.18Å; F151-L225 HydrophobicContact CE1-CG 4.39Å; F151-L225 HydrophobicContact CG-CD1 4.13Å; F151-L225 HydrophobicContact CG-CD2 4.23Å; F151-L225 HydrophobicContact CZ-CD2 3.97Å; F151-V375 HydrophobicContact CE2-CG1 4.36Å; F151-V375 HydrophobicContact CZ-CG2 4.37Å
152V97.9Very high86.3Confident0 Ų038.5 Ų38.50%021%0.205CC..EExtended strand (participates in β ladder)trans-124126.3-167.6-174.50000110I32 S33 R145 L148 V164 Q165I32-V152 CarbonylContact C-O 3.58Å; I32-V152 VanDerWaalsContact CA-O 3.31Å; I32-V152 WeakPolarHBondContact CA-O 3.41Å; S33-V152 PolarHBondContact N-O 2.87Å; S33-V152 PolarHBondContact O-N 2.9Å; R145-V152 HydrophobicContact CB-CB 4.26Å; R145-V152 HydrophobicContact CB-CG1 3.95Å; R145-V152 HydrophobicContact CG-CG1 4.21Å; L148-V152 HydrophobicContact CB-CG1 4.16Å; L148-V152 HydrophobicContact CB-CG2 3.71Å; L148-V152 HydrophobicContact CD1-CG1 4.21Å; V152-V164 HydrophobicContact CG1-CG1 3.63Å; V152-Q165 WeakPolarHBondContact CA-O 3.37Å
153Q97.1Very high85.9Confident13 Ų1337.3 Ų37.36%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-99.9137173-175.6-176.38.900109.7S31 I32 S155 V164 Q165 L167 E218S31-Q153 CarbonylContact O-C 3.24Å; S31-Q153 WeakPolarHBondContact O-CA 3.43Å; I32-Q153 HydrophobicContact CG1-CB 4.2Å; I32-Q153 HydrophobicContact CG1-CG 4.03Å; Q153-S155 PolarHBondContact NE2-OG 2.77Å; Q153-V164 CarbonylContact O-C 3.42Å; Q153-V164 VanDerWaalsContact O-CA 3.28Å; Q153-V164 WeakPolarHBondContact O-CA 3.36Å; Q153-Q165 HydrophobicContact CB-CG 4.04Å; Q153-Q165 PolarHBondContact N-O 3.45Å; Q153-Q165 PolarHBondContact O-N 3.19Å; Q153-L167 HydrophobicContact CB-CD1 4Å; Q153-L167 HydrophobicContact CB-CD2 4.16Å; Q153-L167 HydrophobicContact CB-CG 3.95Å; Q153-E218 PolarHBondContact NE2-OE1 3.04Å
154W95.4Very high85.8Confident0 Ų038 Ų380%020%0.202CC..EExtended strand (participates in β ladder)trans-114.8105.1162.4175.228.2000108.5Y16 I25 P27 S30 S31 R137 G141 R145 S163 V164Y16-W154 AromaticContact CD1-CZ3 3.89Å; Y16-W154 HydrophobicContact CD1-CZ3 3.89Å; Y16-W154 HydrophobicContact CD2-CE3 4.32Å; Y16-W154 HydrophobicContact CD2-CH2 4.23Å; Y16-W154 AromaticContact CD2-CZ3 3.58Å; Y16-W154 HydrophobicContact CD2-CZ3 3.58Å; Y16-W154 HydrophobicContact CE1-CH2 4.33Å; Y16-W154 AromaticContact CE1-CZ3 3.85Å; Y16-W154 HydrophobicContact CE1-CZ3 3.85Å; Y16-W154 AromaticContact CE2-CH2 3.77Å; Y16-W154 HydrophobicContact CE2-CH2 3.77Å; Y16-W154 AromaticContact CE2-CZ3 3.57Å; Y16-W154 HydrophobicContact CE2-CZ3 3.57Å; Y16-W154 HydrophobicContact CG-CE3 4.36Å; Y16-W154 AromaticContact CG-CZ3 3.74Å; Y16-W154 HydrophobicContact CG-CZ3 3.74Å; Y16-W154 AromaticContact CZ-CH2 3.79Å; Y16-W154 AromaticContact CZ-CZ3 3.67Å; I25-W154 WeakPolarHBondContact O-CH2 3.2Å; I25-W154 VanDerWaalsContact O-CZ2 3.29Å; I25-W154 WeakPolarHBondContact O-CZ2 3.49Å; P27-W154 HydrophobicContact CB-CD2 4.49Å; P27-W154 HydrophobicContact CB-CE3 4.33Å; P27-W154 HydrophobicContact CB-CH2 3.78Å; P27-W154 HydrophobicContact CB-CZ2 3.95Å; P27-W154 HydrophobicContact CB-CZ3 3.97Å; P27-W154 HydrophobicContact CG-CD2 3.97Å; P27-W154 HydrophobicContact CG-CE3 4.31Å; P27-W154 HydrophobicContact CG-CH2 3.93Å; P27-W154 HydrophobicContact CG-CZ2 3.56Å; P27-W154 HydrophobicContact CG-CZ3 4.28Å; S30-W154 CarbonylContact C-O 3.51Å; S30-W154 VanDerWaalsContact CA-O 3.23Å; S30-W154 WeakPolarHBondContact CA-O 3.45Å; S31-W154 PolarHBondContact N-O 2.85Å; S31-W154 PolarHBondContact O-N 2.92Å; R137-W154 VanDerWaalsContact CD-CZ2 3.46Å; R137-W154 HydrophobicContact CG-CH2 4.34Å; R137-W154 HydrophobicContact CG-CZ2 3.87Å; G141-W154 VanDerWaalsContact C-CZ3 3.5Å; G141-W154 VanDerWaalsContact O-CZ3 3.26Å; G141-W154 WeakPolarHBondContact O-CZ3 3.13Å; R145-W154 HydrophobicContact CG-CB 3.78Å; W154-S163 CarbonylContact C-O 3.49Å; W154-S163 VanDerWaalsContact CA-O 3.28Å; W154-S163 WeakPolarHBondContact CA-O 3.37Å; W154-V164 HydrophobicContact CB-CG2 4.06Å; W154-V164 HydrophobicContact CG-CG2 3.96Å
155S93.8Very high85.8Confident19 Ų1942.5 Ų42.513%0.13322%0.222CC..  trans-75.6150178.6-55.90000111.3Q153 N157 S163Q153-S155 PolarHBondContact NE2-OG 2.77Å; S155-N157 PolarHBondContact O-N 2.68Å; S155-S163 PolarHBondContact N-O 3.22Å
156N88Confident85.9Confident48 Ų4846.6 Ų46.626%0.25724%0.242SC..  trans-83.911.4175.471-27.8000114.4P27 S28 S30P27-N156 HydrophobicContact CG-CB 4.12Å; S28-N156 PolarHBondContact O-ND2 2.91Å; S30-N156 PolarHBondContact OG-N 3.47Å
157N79.6Confident86Confident104 Ų10448.3 Ų48.356%0.55625%0.251SS*.  trans-71.6136.2172.1-64.2-19000109.3S155 D159S155-N157 PolarHBondContact O-N 2.68Å; N157-D159 PolarHBondContact O-N 3.3Å; N157-D159 VanDerWaalsContact O-N 3.12Å
158H67.7Low86.1Confident120 Ų12049.1 Ų49.156%0.55625%0.254SS*.  trans-79.719.1-174.8-67.5-70.1000114.5Y26 D160Y26-H158 AromaticContact CD1-ND1 3.89Å; Y26-H158 AromaticContact CD2-ND1 3.9Å; Y26-H158 AromaticContact CG-ND1 3.6Å; H158-D160 PolarHBondContact O-N 2.6Å
159D62.9Low86.2Confident109 Ų10949 Ų4958%0.58326%0.256SS*.  trans-79.2108.1171.6-68.9-22.6000108.8N157 H161 T162 S163N157-D159 PolarHBondContact O-N 3.3Å; N157-D159 VanDerWaalsContact O-N 3.12Å; D159-H161 VanDerWaalsContact C-N 3.27Å; D159-H161 PolarHBondContact O-N 2.82Å; D159-T162 VanDerWaalsContact CB-OG1 3.3Å; D159-T162 WeakPolarHBondContact CB-OG1 3.3Å; D159-T162 PolarHBondContact O-N 2.88Å; D159-S163 PolarHBondContact O-N 3.43Å
160D58Low86.3Confident71 Ų7150.1 Ų50.138%0.3827%0.265SS..THydrogen-bonded Turntrans-52-36.6-162.9-88.112.8000115.6Y26 R137 H158Y26-D160 VanDerWaalsContact CZ-OD1 3.31Å; Y26-D160 PolarHBondContact OH-OD1 2.92Å; R137-D160 PolarHBondContact NH1-O 2.84Å; R137-D160 VanDerWaalsContact NH1-O 3.12Å; R137-D160 PolarHBondContact NH2-O 2.8Å; H158-D160 PolarHBondContact O-N 2.6Å
161H54.8Low86.2Confident107 Ų10754.7 Ų54.750%0.49530%0.297SS..THydrogen-bonded Turntrans-102.5-29.2-172.3-58.5-68.3000114.2D131 D159D131-H161 IonicContact OD1-CE1 2.97Å; D131-H161 PolarHBondContact OD1-CE1 2.67Å; D131-H161 IonicContact OD1-ND1 3.41Å; D131-H161 PolarHBondContact OD1-ND1 2.96Å; D159-H161 VanDerWaalsContact C-N 3.27Å; D159-H161 PolarHBondContact O-N 2.82Å
162T59.6Low86.2Confident102 Ų10257.8 Ų57.863%0.62631%0.309SS*.THydrogen-bonded Turntrans-96.9-3-171.954.70000113.6D159 V164D159-T162 VanDerWaalsContact CB-OG1 3.3Å; D159-T162 WeakPolarHBondContact CB-OG1 3.3Å; D159-T162 PolarHBondContact O-N 2.88Å; T162-V164 PolarHBondContact O-N 2.65Å; T162-V164 VanDerWaalsContact O-N 3.15Å
163S84.1Confident86.2Confident3 Ų357.9 Ų57.92%0.02131%0.31CS..SBendtrans-65.6-14.8-178.955.50000114.4W154 S155 D159W154-S163 CarbonylContact C-O 3.49Å; W154-S163 VanDerWaalsContact CA-O 3.28Å; W154-S163 WeakPolarHBondContact CA-O 3.37Å; S155-S163 PolarHBondContact N-O 3.22Å; D159-S163 PolarHBondContact O-N 3.43Å
164V92.7Very high86.3Confident15 Ų1560.3 Ų60.39%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-116.3123.9178.6-175.50000110.6T133 C144 L148 V152 Q153 W154 T162T133-V164 HydrophobicContact CG2-CB 3.83Å; T133-V164 HydrophobicContact CG2-CG2 3.44Å; T133-V164 VanDerWaalsContact CG2-CG2 3.44Å; C144-V164 HydrophobicContact CB-CG2 4.08Å; L148-V164 HydrophobicContact CD1-CG1 4Å; V152-V164 HydrophobicContact CG1-CG1 3.63Å; Q153-V164 CarbonylContact O-C 3.42Å; Q153-V164 VanDerWaalsContact O-CA 3.28Å; Q153-V164 WeakPolarHBondContact O-CA 3.36Å; W154-V164 HydrophobicContact CB-CG2 4.06Å; W154-V164 HydrophobicContact CG-CG2 3.96Å; T162-V164 PolarHBondContact O-N 2.65Å; T162-V164 VanDerWaalsContact O-N 3.15Å
165Q94.1Very high86.4Confident93 Ų9363.6 Ų63.644%0.43534%0.342SS..EExtended strand (participates in β ladder)trans-134.9146.1-179.465.5176.52.300112.5V152 Q153 L167V152-Q165 WeakPolarHBondContact CA-O 3.37Å; Q153-Q165 HydrophobicContact CB-CG 4.04Å; Q153-Q165 PolarHBondContact N-O 3.45Å; Q153-Q165 PolarHBondContact O-N 3.19Å; Q165-L167 HydrophobicContact CG-CD2 4.35Å; Q165-L167 PolarHBondContact O-N 2.89Å
166Q96.4Very high86.6Confident92 Ų9262.8 Ų62.843%0.4334%0.336SS..EExtended strand (participates in β ladder)trans-80.3112.8167.6178.7175.773.100108.1L148 G149 F168L148-Q166 HydrophobicContact CB-CB 4.43Å; L148-Q166 HydrophobicContact CD1-CB 4.15Å; G149-Q166 PolarHBondContact O-NE2 2.86Å; Q166-F168 WeakPolarHBondContact CG-O 3.13Å
167L98.1Very high87.1Confident37 Ų3762 Ų6219%0.19433%0.33CS..EExtended strand (participates in β ladder)trans-71.2-46.6174.1-66.9177.3000110.7I32 F151 Q153 Q165 I222 L225I32-L167 HydrophobicContact CD1-CD1 4.33Å; I32-L167 HydrophobicContact CG1-CD1 4.44Å; I32-L167 HydrophobicContact CG2-CD1 4.1Å; F151-L167 HydrophobicContact CB-CB 4.35Å; F151-L167 WeakPolarHBondContact O-CB 3.35Å; F151-L167 PolarHBondContact O-N 2.84Å; Q153-L167 HydrophobicContact CB-CD1 4Å; Q153-L167 HydrophobicContact CB-CD2 4.16Å; Q153-L167 HydrophobicContact CB-CG 3.95Å; Q165-L167 HydrophobicContact CG-CD2 4.35Å; Q165-L167 PolarHBondContact O-N 2.89Å; L167-I222 HydrophobicContact CD1-CG1 4.06Å; L167-L225 HydrophobicContact CD1-CD1 4.47Å
168F98.5Very high88Confident35 Ų3557.1 Ų57.115%0.15430%0.303CS..EExtended strand (participates in β ladder)trans-146.2142.4-178.2-58.2-74.1000110.4G150 F151 Q166 Y172 L225 K226G150-F168 WeakPolarHBondContact CA-O 3.31Å; F151-F168 HydrophobicContact CB-CB 4.31Å; F151-F168 HydrophobicContact CB-CD2 4.31Å; F151-F168 HydrophobicContact CD2-CB 3.77Å; F151-F168 HydrophobicContact CG-CB 4.41Å; F151-F168 PolarHBondContact N-O 2.84Å; F151-F168 PolarHBondContact O-N 2.96Å; Q166-F168 WeakPolarHBondContact CG-O 3.13Å; F168-Y172 HydrophobicContact CB-CD1 3.78Å; F168-Y172 HydrophobicContact CB-CD2 4.12Å; F168-Y172 HydrophobicContact CB-CE1 4.42Å; F168-Y172 HydrophobicContact CB-CG 3.62Å; F168-Y172 AromaticContact CD1-CD1 3.89Å; F168-Y172 HydrophobicContact CD1-CD1 3.89Å; F168-Y172 AromaticContact CD1-CD2 3.64Å; F168-Y172 HydrophobicContact CD1-CD2 3.64Å; F168-Y172 AromaticContact CD1-CE1 3.71Å; F168-Y172 HydrophobicContact CD1-CE1 3.71Å; F168-Y172 AromaticContact CD1-CE2 3.42Å; F168-Y172 HydrophobicContact CD1-CE2 3.42Å; F168-Y172 VanDerWaalsContact CD1-CE2 3.42Å; F168-Y172 AromaticContact CD1-CG 3.86Å; F168-Y172 HydrophobicContact CD1-CG 3.86Å; F168-Y172 AromaticContact CD1-CZ 3.46Å; F168-Y172 VanDerWaalsContact CD1-CZ 3.46Å; F168-Y172 HydrophobicContact CD2-CD1 4.41Å; F168-Y172 HydrophobicContact CD2-CE1 4.35Å; F168-Y172 HydrophobicContact CE1-CD2 4.46Å; F168-Y172 HydrophobicContact CE1-CE1 4.01Å; F168-Y172 AromaticContact CE1-CE2 3.8Å; F168-Y172 HydrophobicContact CE1-CE2 3.8Å; F168-Y172 AromaticContact CE1-CZ 3.54Å; F168-Y172 AromaticContact CG-CD1 3.77Å; F168-Y172 HydrophobicContact CG-CD1 3.77Å; F168-Y172 HydrophobicContact CG-CD2 4.18Å; F168-Y172 AromaticContact CG-CE1 3.9Å; F168-Y172 HydrophobicContact CG-CE1 3.9Å; F168-Y172 HydrophobicContact CG-CE2 4.28Å; F168-Y172 AromaticContact CG-CG 3.93Å; F168-Y172 HydrophobicContact CG-CG 3.93Å; F168-Y172 HydrophobicContact CZ-CE1 4.46Å; F168-L225 HydrophobicContact CD2-CB 4.05Å; F168-L225 HydrophobicContact CE2-CB 3.66Å; F168-K226 HydrophobicContact CZ-CB 4Å; F168-K226 HydrophobicContact CZ-CG 4.47Å
169P98.3Very high89.4Confident55 Ų5551.4 Ų51.436%0.35728%0.277SS..  trans-70.7167.2178.630.9-36.6000112.2S171 Y172P169-S171 PolarHBondContact O-N 3.05Å; P169-Y172 WeakPolarHBondContact O-CB 3.38Å; P169-Y172 PolarHBondContact O-N 3.29Å
170A97.7Very high91Very high30 Ų3046.3 Ų46.325%0.24825%0.25CC..G310 helixtrans-57.5-34.3-179.800000113.6Y172 V375 G376A170-Y172 PolarHBondContact O-N 3.18Å; A170-V375 HydrophobicContact CB-CG1 4.3Å; A170-G376 WeakPolarHBondContact CB-O 3.47Å
171S97.8Very high92.7Very high96 Ų9643 Ų4367%0.67123%0.232SC*.G310 helixtrans-75.7-2179.559.90000114.5P169P169-S171 PolarHBondContact O-N 3.05Å
172Y98.4Very high94.6Very high64 Ų6437.9 Ų37.925%0.25121%0.208SC..G310 helixtrans-70.9-39.5-170.7-175.8-99000113.6F168 P169 A170 L225 K226 R228F168-Y172 HydrophobicContact CB-CD1 3.78Å; F168-Y172 HydrophobicContact CB-CD2 4.12Å; F168-Y172 HydrophobicContact CB-CE1 4.42Å; F168-Y172 HydrophobicContact CB-CG 3.62Å; F168-Y172 AromaticContact CD1-CD1 3.89Å; F168-Y172 HydrophobicContact CD1-CD1 3.89Å; F168-Y172 AromaticContact CD1-CD2 3.64Å; F168-Y172 HydrophobicContact CD1-CD2 3.64Å; F168-Y172 AromaticContact CD1-CE1 3.71Å; F168-Y172 HydrophobicContact CD1-CE1 3.71Å; F168-Y172 AromaticContact CD1-CE2 3.42Å; F168-Y172 HydrophobicContact CD1-CE2 3.42Å; F168-Y172 VanDerWaalsContact CD1-CE2 3.42Å; F168-Y172 AromaticContact CD1-CG 3.86Å; F168-Y172 HydrophobicContact CD1-CG 3.86Å; F168-Y172 AromaticContact CD1-CZ 3.46Å; F168-Y172 VanDerWaalsContact CD1-CZ 3.46Å; F168-Y172 HydrophobicContact CD2-CD1 4.41Å; F168-Y172 HydrophobicContact CD2-CE1 4.35Å; F168-Y172 HydrophobicContact CE1-CD2 4.46Å; F168-Y172 HydrophobicContact CE1-CE1 4.01Å; F168-Y172 AromaticContact CE1-CE2 3.8Å; F168-Y172 HydrophobicContact CE1-CE2 3.8Å; F168-Y172 AromaticContact CE1-CZ 3.54Å; F168-Y172 AromaticContact CG-CD1 3.77Å; F168-Y172 HydrophobicContact CG-CD1 3.77Å; F168-Y172 HydrophobicContact CG-CD2 4.18Å; F168-Y172 AromaticContact CG-CE1 3.9Å; F168-Y172 HydrophobicContact CG-CE1 3.9Å; F168-Y172 HydrophobicContact CG-CE2 4.28Å; F168-Y172 AromaticContact CG-CG 3.93Å; F168-Y172 HydrophobicContact CG-CG 3.93Å; F168-Y172 HydrophobicContact CZ-CE1 4.46Å; P169-Y172 WeakPolarHBondContact O-CB 3.38Å; P169-Y172 PolarHBondContact O-N 3.29Å; A170-Y172 PolarHBondContact O-N 3.18Å; Y172-L225 VanDerWaalsContact CE1-O 3.3Å; Y172-L225 WeakPolarHBondContact CE1-O 3.42Å; Y172-K226 PolarHBondContact OH-O 2.95Å; Y172-R228 HydrophobicContact CE1-CG 3.96Å
173W98.2Very high96.1Very high2 Ų233.6 Ų33.61%0.00818%0.182CC..  trans-129.672.6179.9-160.7-14.9000109.9F151 E175 L176 L225 R228 F230 L233 E296F151-W173 HydrophobicContact CE2-CB 4.23Å; F151-W173 HydrophobicContact CZ-CB 4.12Å; F151-W173 HydrophobicContact CZ-CE3 4.21Å; W173-E175 PolarHBondContact O-N 2.99Å; W173-L176 HydrophobicContact CB-CB 4.36Å; W173-L176 HydrophobicContact CD2-CB 4.29Å; W173-L176 HydrophobicContact CG-CB 3.98Å; W173-L176 PolarHBondContact O-N 3.19Å; W173-L176 VanDerWaalsContact O-N 3.14Å; W173-L225 HydrophobicContact CE3-CD2 4.21Å; W173-L225 HydrophobicContact CZ3-CD2 4.01Å; W173-R228 HydrophobicContact CB-CG 4.45Å; W173-R228 HydrophobicContact CD2-CB 3.98Å; W173-R228 HydrophobicContact CD2-CG 3.73Å; W173-R228 HydrophobicContact CE3-CB 4.26Å; W173-R228 HydrophobicContact CE3-CG 3.97Å; W173-R228 HydrophobicContact CG-CG 3.96Å; W173-R228 VanDerWaalsContact CH2-CA 3.45Å; W173-R228 HydrophobicContact CH2-CB 4.2Å; W173-R228 HydrophobicContact CZ2-CB 3.89Å; W173-R228 WeakPolarHBondContact CZ2-O 3.27Å; W173-R228 HydrophobicContact CZ3-CB 4.36Å; W173-R228 HydrophobicContact CZ3-CG 4.47Å; W173-F230 HydrophobicContact CH2-CB 4.32Å; W173-F230 HydrophobicContact CZ2-CB 3.96Å; W173-L233 HydrophobicContact CH2-CB 4.5Å; W173-L233 HydrophobicContact CH2-CD2 4.03Å; W173-L233 HydrophobicContact CZ3-CD2 3.78Å; W173-E296 PolarHBondContact NE1-OE1 3.29Å; W173-E296 VanDerWaalsContact NE1-OE1 3.11Å
174P97.4Very high96.2Very high65 Ų6535.5 Ų35.542%0.42219%0.192SC..THydrogen-bonded Turntrans-69.3-10.5-172.229.8-35.9000113.7R177P174-R177 PolarHBondContact O-NH1 3.06Å; P174-R177 PolarHBondContact O-NH2 2.88Å; P174-R177 VanDerWaalsContact O-NH2 3.13Å
175E97.9Very high95.6Very high69 Ų6937.6 Ų37.632%0.32220%0.201SC..THydrogen-bonded Turntrans-84.1-20.3174.2-58.776-165.400112.6W173 R177 E296 S297W173-E175 PolarHBondContact O-N 2.99Å; E175-R177 PolarHBondContact O-N 3.49Å; E175-R177 PolarHBondContact O-NH1 2.96Å; E175-E296 CarbonylContact O-C 3.57Å; E175-E296 WeakPolarHBondContact O-CA 3.33Å; E175-S297 PolarHBondContact O-N 3.47Å
176L98.5Very high95Very high1 Ų138.4 Ų38.41%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-70.4129-176.8-171.966.7000110.9L34 F151 W173 F230 V375L34-L176 HydrophobicContact CD1-CD2 4.17Å; L34-L176 HydrophobicContact CD2-CD2 4.15Å; F151-L176 HydrophobicContact CE1-CD2 3.88Å; F151-L176 HydrophobicContact CZ-CD2 3.75Å; W173-L176 HydrophobicContact CB-CB 4.36Å; W173-L176 HydrophobicContact CD2-CB 4.29Å; W173-L176 HydrophobicContact CG-CB 3.98Å; W173-L176 PolarHBondContact O-N 3.19Å; W173-L176 VanDerWaalsContact O-N 3.14Å; L176-F230 HydrophobicContact CD1-CD2 4.02Å; L176-F230 HydrophobicContact CD1-CE2 4.08Å; L176-V375 HydrophobicContact CB-CG2 4.34Å; L176-V375 HydrophobicContact CD2-CG2 4.32Å
177R98.2Very high94Very high33 Ų3339.1 Ų39.113%0.12522%0.221CC..EExtended strand (participates in β ladder)trans-124.7152180-66.5-62.9178.3-81.9-0.4111.2P174 E175 L294 T295 I300 Y345 E374P174-R177 PolarHBondContact O-NH1 3.06Å; P174-R177 PolarHBondContact O-NH2 2.88Å; P174-R177 VanDerWaalsContact O-NH2 3.13Å; E175-R177 PolarHBondContact O-N 3.49Å; E175-R177 PolarHBondContact O-NH1 2.96Å; R177-L294 WeakPolarHBondContact O-CA 3.37Å; R177-T295 HydrophobicContact CB-CG2 4.25Å; R177-T295 PolarHBondContact N-O 3.26Å; R177-T295 PolarHBondContact O-N 3.01Å; R177-I300 HydrophobicContact CB-CD1 3.72Å; R177-I300 HydrophobicContact CG-CD1 3.86Å; R177-Y345 WeakPolarHBondContact CD-OH 3.28Å; R177-Y345 PolarHBondContact NE-OH 3.4Å; R177-E374 IonicContact CZ-OE2 3.66Å; R177-E374 IonicContact NH1-OE2 3.68Å; R177-E374 IonicContact NH2-OE2 3.76Å
178V98.1Very high93Very high0 Ų040.5 Ų40.50%023%0.225CC..EExtended strand (participates in β ladder)trans-124.5126.4174.9-1770000109.3I11 L34 L36 I180 F292 L293 L294 T373I11-V178 HydrophobicContact CD1-CG1 4.12Å; I11-V178 HydrophobicContact CD1-CG2 4.01Å; L34-V178 HydrophobicContact CD2-CG2 3.57Å; L36-V178 HydrophobicContact CD2-CB 4.27Å; L36-V178 HydrophobicContact CD2-CG1 4.44Å; L36-V178 HydrophobicContact CD2-CG2 3.88Å; V178-I180 HydrophobicContact CG1-CG1 4.19Å; V178-F292 HydrophobicContact CG1-CB 4.38Å; V178-F292 HydrophobicContact CG1-CD1 4.35Å; V178-L293 CarbonylContact C-O 3.52Å; V178-L293 VanDerWaalsContact CA-O 3.27Å; V178-L293 WeakPolarHBondContact CA-O 3.12Å; V178-L294 HydrophobicContact CG2-CG 4.49Å; V178-T373 HydrophobicContact CB-CG2 3.91Å; V178-T373 HydrophobicContact CG1-CG2 4.38Å; V178-T373 PolarHBondContact N-O 3.31Å; V178-T373 PolarHBondContact O-N 3.12Å
179L97.4Very high92.1Very high0 Ų044.1 Ų44.10%025%0.252CS..EExtended strand (participates in β ladder)trans-107118.9168.3-59.1173.9000108.6L293 I300 V303 L304 L307 S372L179-L293 HydrophobicContact CB-CB 4.22Å; L179-L293 PolarHBondContact N-O 2.78Å; L179-L293 PolarHBondContact O-N 2.89Å; L179-I300 HydrophobicContact CD1-CG1 4.38Å; L179-I300 HydrophobicContact CD2-CD1 4.04Å; L179-I300 HydrophobicContact CD2-CG1 4.46Å; L179-I300 HydrophobicContact CG-CD1 4.4Å; L179-V303 HydrophobicContact CD1-CG1 4.07Å; L179-L304 HydrophobicContact CD1-CD2 3.75Å; L179-L304 HydrophobicContact CD1-CG 4.11Å; L179-L304 HydrophobicContact CD2-CD2 4Å; L179-L307 HydrophobicContact CD1-CD1 3.87Å; L179-S372 WeakPolarHBondContact CD2-OG 3.48Å
180I95.8Very high91.4Very high3 Ų344.1 Ų44.12%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-93.6109.3177.6-50179.3000108.1L36 V41 L108 V178 V182 F292 L370 I371 T373L36-I180 HydrophobicContact CD1-CD1 4.12Å; V41-I180 HydrophobicContact CG1-CD1 3.75Å; V41-I180 HydrophobicContact CG2-CD1 4.39Å; L108-I180 HydrophobicContact CD2-CG2 3.42Å; L108-I180 VanDerWaalsContact CD2-CG2 3.42Å; V178-I180 HydrophobicContact CG1-CG1 4.19Å; I180-V182 HydrophobicContact CG2-CG2 4.27Å; I180-V182 PolarHBondContact O-N 2.85Å; I180-F292 HydrophobicContact CB-CD1 4.43Å; I180-F292 HydrophobicContact CD1-CD1 4.24Å; I180-F292 HydrophobicContact CD1-CE1 3.98Å; I180-F292 HydrophobicContact CG1-CD1 3.81Å; I180-F292 HydrophobicContact CG1-CE1 4Å; I180-F292 HydrophobicContact CG2-CD1 4.15Å; I180-F292 HydrophobicContact CG2-CE1 3.92Å; I180-L370 WeakPolarHBondContact O-CA 3.3Å; I180-I371 HydrophobicContact CB-CB 4.08Å; I180-I371 HydrophobicContact CD1-CB 4.24Å; I180-I371 HydrophobicContact CG1-CB 4.37Å; I180-I371 PolarHBondContact N-O 2.96Å; I180-I371 PolarHBondContact O-N 2.89Å; I180-I371 VanDerWaalsContact O-N 3.07Å; I180-T373 HydrophobicContact CD1-CG2 4.45Å
181C95.8Very high90.9Very high0 Ų044.5 Ų44.50%026%0.258CS..EExtended strand (participates in β ladder)trans-81.397.9175.2-59.40000109.7T183 I265 N290 A291 I367 L370C181-T183 HydrophobicContact CB-CG2 4.48Å; C181-T183 PolarHBondContact O-N 2.99Å; C181-I265 HydrophobicContact CB-CD1 4.08Å; C181-N290 WeakPolarHBondContact O-CA 3.09Å; C181-N290 WeakPolarHBondContact O-CB 3.12Å; C181-N290 PolarHBondContact O-OD1 2.71Å; C181-A291 HydrophobicContact CB-CB 4.01Å; C181-A291 PolarHBondContact N-O 3.02Å; C181-A291 PolarHBondContact O-N 2.56Å; C181-I367 HydrophobicContact CB-CD1 3.97Å; C181-I367 HydrophobicContact CB-CG1 4.25Å; C181-L370 HydrophobicContact CB-CD2 4.27Å; C181-L370 VanDerWaalsContact SG-CD2 3.59Å
182V93.5Very high90.5Very high0 Ų041.6 Ų41.60%024%0.237CC..EExtended strand (participates in β ladder)trans-80.8102.9175.5-171.80000109P103 L108 I180 E185 N290 R368 H369 I371P103-V182 HydrophobicContact CG-CG1 4.42Å; L108-V182 HydrophobicContact CD1-CG2 4.23Å; I180-V182 HydrophobicContact CG2-CG2 4.27Å; I180-V182 PolarHBondContact O-N 2.85Å; V182-E185 HydrophobicContact CG1-CG 3.85Å; V182-N290 WeakPolarHBondContact CA-OD1 3.42Å; V182-R368 WeakPolarHBondContact O-CB 3.46Å; V182-R368 PolarHBondContact O-N 3.14Å; V182-H369 WeakPolarHBondContact CB-O 3.29Å; V182-H369 PolarHBondContact N-O 2.84Å; V182-I371 HydrophobicContact CG2-CD1 4.24Å; V182-I371 HydrophobicContact CG2-CG1 4.37Å
183T91.6Very high90Very high12 Ų1241.7 Ų41.77%0.07425%0.245CC..  trans-102.8-38.8-178.260.80000111.7C181 L261 I265 P289 N290 I367C181-T183 HydrophobicContact CB-CG2 4.48Å; C181-T183 PolarHBondContact O-N 2.99Å; T183-L261 HydrophobicContact CG2-CD2 3.58Å; T183-L261 HydrophobicContact CG2-CG 4.01Å; T183-I265 HydrophobicContact CG2-CD1 3.81Å; T183-P289 PolarHBondContact OG1-O 3.48Å; T183-P289 VanDerWaalsContact OG1-O 3.05Å; T183-N290 PolarHBondContact N-OD1 3.2Å; T183-N290 PolarHBondContact OG1-OD1 3.23Å; T183-I367 HydrophobicContact CG2-CG1 4.33Å
184N84.9Confident89.7Confident44 Ų4446.6 Ų46.624%0.23527%0.271CS..  trans-142.7130.8-176.2-168.4-9.8000111.1A106 N186 P289 N290A106-N184 WeakPolarHBondContact CA-O 3.22Å; A106-N184 WeakPolarHBondContact CB-O 3.07Å; N184-N186 VanDerWaalsContact OD1-CB 3.25Å; N184-N186 WeakPolarHBondContact OD1-CB 3.04Å; N184-N186 PolarHBondContact OD1-N 2.99Å; N184-N186 PolarHBondContact OD1-ND2 3.45Å; N184-P289 HydrophobicContact CB-CG 3.69Å; N184-N290 PolarHBondContact N-OD1 3.06Å; N184-N290 PolarHBondContact O-ND2 2.73Å; N184-N290 PolarHBondContact O-OD1 3.41Å
185E80.5Confident89.5Confident59 Ų5943.5 Ų43.528%0.27625%0.251SS..  trans-109.54.3179-63.2178.6176.300112.9P103 S105 A106 V182 H369P103-E185 HydrophobicContact CB-CG 4.12Å; S105-E185 CarbonylContact C-O 3.52Å; S105-E185 VanDerWaalsContact C-O 3.28Å; S105-E185 WeakPolarHBondContact CB-O 3.25Å; S105-E185 PolarHBondContact OG-O 3.07Å; A106-E185 HydrophobicContact CB-CB 4.41Å; A106-E185 HydrophobicContact CB-CG 4.26Å; V182-E185 HydrophobicContact CG1-CG 3.85Å; E185-H369 IonicContact OE1-CE1 3.34Å; E185-H369 PolarHBondContact OE1-CE1 3Å
186N81Confident89.3Confident109 Ų10940.7 Ų40.758%0.58324%0.238SC*.SBendtrans-75.8148.9178.3-65.8-31.1000111.2S105 N184S105-N186 CarbonylContact O-C 3.54Å; S105-N186 VanDerWaalsContact O-C 3.32Å; N184-N186 VanDerWaalsContact OD1-CB 3.25Å; N184-N186 WeakPolarHBondContact OD1-CB 3.04Å; N184-N186 PolarHBondContact OD1-N 2.99Å; N184-N186 PolarHBondContact OD1-ND2 3.45Å
187P75.9Confident89Confident107 Ų10743 Ų4370%0.69525%0.25SS*.PPolyproline II helixtrans-53.8146.9173.8-24.233.6000112.6
188K78.3Confident88.9Confident66 Ų6643.1 Ų43.129%0.28726%0.256SS..PPolyproline II helixtrans-64.7144.4176.1-56.6176.9-173.6-166.50110.3V190 S192 Y257 A287K188-V190 VanDerWaalsContact C-N 3.31Å; K188-V190 PolarHBondContact O-N 3.43Å; K188-S192 PolarHBondContact NZ-OG 3.38Å; K188-Y257 HydrophobicContact CD-CE1 4.3Å; K188-A287 WeakPolarHBondContact CD-O 3.21Å; K188-A287 WeakPolarHBondContact CE-O 3.31Å; K188-A287 PolarHBondContact NZ-O 2.78Å
189P78.6Confident88.8Confident112 Ų11243.1 Ų43.173%0.72726%0.256SS*.SBendtrans-65.4-35.8175.126-33.5000112.2
190V83.8Confident88.7Confident55 Ų5545.1 Ų45.133%0.33327%0.268SS..SBendtrans-129.8128.6177.3-174.40000109.8K188 D194 A195 Y257K188-V190 VanDerWaalsContact C-N 3.31Å; K188-V190 PolarHBondContact O-N 3.43Å; V190-D194 HydrophobicContact CG1-CB 4.4Å; V190-A195 HydrophobicContact CG1-CB 4.11Å; V190-Y257 WeakPolarHBondContact O-CE1 3.43Å; V190-Y257 PolarHBondContact O-OH 2.87Å; V190-Y257 VanDerWaalsContact O-OH 3.12Å
191G87Confident88.6Confident37 Ų3752.4 Ų52.438%0.38130%0.3SS..  trans-63.5141.6175.600000111.8T193 D194 A195G191-T193 PolarHBondContact O-N 3.31Å; G191-D194 PolarHBondContact O-N 2.88Å; G191-A195 WeakPolarHBondContact O-CB 3.49Å; G191-A195 PolarHBondContact O-N 2.81Å
192S88.8Confident88.7Confident35 Ų3554.9 Ų54.925%0.24531%0.314CS..Hα-helixtrans-61.2-29.8-176.5-53.80000113.2K188 M196 A287K188-S192 PolarHBondContact NZ-OG 3.38Å; S192-M196 WeakPolarHBondContact O-CB 3.45Å; S192-M196 WeakPolarHBondContact O-CG 3.45Å; S192-M196 PolarHBondContact O-N 2.95Å; S192-A287 WeakPolarHBondContact OG-CB 3.23Å
193T89.1Confident88.9Confident67 Ų6754.9 Ų54.941%0.41131%0.314SS..Hα-helixtrans-64.7-50.2176.4-700000111.7G191 A195 M196 L197G191-T193 PolarHBondContact O-N 3.31Å; T193-A195 VanDerWaalsContact C-N 3.33Å; T193-A195 PolarHBondContact O-N 3.37Å; T193-M196 PolarHBondContact O-N 3.47Å; T193-L197 HydrophobicContact CG2-CD1 4.28Å; T193-L197 WeakPolarHBondContact O-CG 3.49Å; T193-L197 PolarHBondContact O-N 3Å
194D90.8Very high89.1Confident105 Ų10561.3 Ų61.356%0.56134%0.339SS*.Hα-helixtrans-66.1-39.8179.8-58.6-35.7000111V190 G191 M196 L197 C198V190-D194 HydrophobicContact CG1-CB 4.4Å; G191-D194 PolarHBondContact O-N 2.88Å; D194-M196 PolarHBondContact O-N 3.32Å; D194-L197 PolarHBondContact O-N 3.37Å; D194-C198 WeakPolarHBondContact O-CB 3.26Å; D194-C198 PolarHBondContact O-N 2.92Å
195A93.4Very high89.7Confident0 Ų063.2 Ų63.20%035%0.348CS..Hα-helixtrans-61.5-42.6175.500000112.3W17 V190 G191 T193 C198 C199 C255 Y257W17-A195 HydrophobicContact CH2-CB 3.78Å; W17-A195 HydrophobicContact CZ2-CB 3.7Å; V190-A195 HydrophobicContact CG1-CB 4.11Å; G191-A195 WeakPolarHBondContact O-CB 3.49Å; G191-A195 PolarHBondContact O-N 2.81Å; T193-A195 VanDerWaalsContact C-N 3.33Å; T193-A195 PolarHBondContact O-N 3.37Å; A195-C198 PolarHBondContact O-N 2.74Å; A195-C199 WeakPolarHBondContact O-CB 3.32Å; A195-C199 PolarHBondContact O-N 2.92Å; A195-C255 HydrophobicContact CB-CB 4.24Å; A195-C255 VanDerWaalsContact CB-SG 3.59Å; A195-Y257 HydrophobicContact CB-CE2 4.48Å; A195-Y257 WeakPolarHBondContact CB-OH 3.29Å
196M94.2Very high90.5Very high9 Ų960.9 Ų60.94%0.04434%0.337CS..Hα-helixtrans-63.6-45175.4-74.2166.873.100111.9Y16 W17 K19 S192 T193 D194 C198 C199 V200Y16-M196 HydrophobicContact CD1-CE 4.26Å; Y16-M196 HydrophobicContact CD2-CE 4.17Å; Y16-M196 HydrophobicContact CE1-CE 3.71Å; Y16-M196 HydrophobicContact CE1-SD 4.42Å; Y16-M196 HydrophobicContact CE2-CE 3.57Å; Y16-M196 HydrophobicContact CG-CE 4.49Å; W17-M196 HydrophobicContact CD2-CG 3.53Å; W17-M196 HydrophobicContact CE3-CG 3.53Å; W17-M196 HydrophobicContact CE3-SD 4.14Å; W17-M196 HydrophobicContact CG-CG 4.12Å; W17-M196 HydrophobicContact CH2-CG 4.02Å; W17-M196 HydrophobicContact CZ2-CG 4.01Å; W17-M196 HydrophobicContact CZ3-CG 3.78Å; W17-M196 HydrophobicContact CZ3-SD 4.38Å; K19-M196 HydrophobicContact CG-CE 3.84Å; S192-M196 WeakPolarHBondContact O-CB 3.45Å; S192-M196 WeakPolarHBondContact O-CG 3.45Å; S192-M196 PolarHBondContact O-N 2.95Å; T193-M196 PolarHBondContact O-N 3.47Å; D194-M196 PolarHBondContact O-N 3.32Å; M196-C198 VanDerWaalsContact C-N 3.32Å; M196-C198 PolarHBondContact O-N 2.7Å; M196-C199 PolarHBondContact O-N 2.86Å; M196-V200 VanDerWaalsContact O-CG2 3.29Å; M196-V200 WeakPolarHBondContact O-CG2 3.31Å; M196-V200 PolarHBondContact O-N 2.84Å
197L93.4Very high91.2Very high50 Ų5062.4 Ų62.426%0.26234%0.335SS..Hα-helixtrans-64.1-38.5178.2-71.7174.2000111.9D22 T193 D194 K201D22-L197 HydrophobicContact CB-CD2 4.16Å; T193-L197 HydrophobicContact CG2-CD1 4.28Å; T193-L197 WeakPolarHBondContact O-CG 3.49Å; T193-L197 PolarHBondContact O-N 3Å; D194-L197 PolarHBondContact O-N 3.37Å; L197-K201 WeakPolarHBondContact O-CG 3.17Å
198C95.1Very high92.1Very high35 Ų3561.4 Ų61.424%0.23632%0.324CS..Hα-helixtrans-66.2-49.6174.4-167.10000110.9D194 A195 M196 V200 K201 T202 T251 W252D194-C198 WeakPolarHBondContact O-CB 3.26Å; D194-C198 PolarHBondContact O-N 2.92Å; A195-C198 PolarHBondContact O-N 2.74Å; M196-C198 VanDerWaalsContact C-N 3.32Å; M196-C198 PolarHBondContact O-N 2.7Å; C198-V200 PolarHBondContact O-N 2.88Å; C198-K201 WeakPolarHBondContact O-CA 3.47Å; C198-K201 WeakPolarHBondContact O-CB 3.3Å; C198-K201 PolarHBondContact O-N 3.37Å; C198-T202 PolarHBondContact O-N 3.21Å; C198-T202 PolarHBondContact O-OG1 3.32Å; C198-T251 HydrophobicContact CB-CG2 3.85Å; C198-T251 VanDerWaalsContact SG-CG2 3.54Å; C198-W252 PolarHBondContact SG-O 3.46Å
199C96.4Very high92.9Very high0 Ų059.7 Ų59.70%033%0.325CS..Hα-helixtrans-55.7-47-178.9-175.40000112.4W17 A195 M196 K201 T202 S203 T251W17-C199 PolarHBondContact NE1-SG 3.38Å; W17-C199 VanDerWaalsContact NE1-SG 3.39Å; A195-C199 WeakPolarHBondContact O-CB 3.32Å; A195-C199 PolarHBondContact O-N 2.92Å; M196-C199 PolarHBondContact O-N 2.86Å; C199-K201 PolarHBondContact O-N 2.83Å; C199-T202 PolarHBondContact O-N 2.94Å; C199-S203 VanDerWaalsContact O-CB 3.28Å; C199-S203 WeakPolarHBondContact O-CB 3.28Å; C199-S203 PolarHBondContact O-N 2.81Å; C199-T251 VanDerWaalsContact CA-OG1 3.28Å; C199-T251 WeakPolarHBondContact CA-OG1 3.38Å; C199-T251 HydrophobicContact CB-CG2 4.13Å; C199-T251 WeakPolarHBondContact CB-OG1 3.36Å; C199-T251 PolarHBondContact SG-OG1 3.4Å
200V94.7Very high93.8Very high43 Ų4354.4 Ų54.426%0.26129%0.29SS..Hα-helixtrans-56.9-36.6176.4170.70000111.9M196 C198 F206M196-V200 VanDerWaalsContact O-CG2 3.29Å; M196-V200 WeakPolarHBondContact O-CG2 3.31Å; M196-V200 PolarHBondContact O-N 2.84Å; C198-V200 PolarHBondContact O-N 2.88Å; V200-F206 HydrophobicContact CB-CE1 4.33Å; V200-F206 HydrophobicContact CG2-CD1 4.23Å; V200-F206 HydrophobicContact CG2-CE1 3.65Å; V200-F206 HydrophobicContact CG2-CZ 3.9Å
201K94.5Very high94.2Very high156 Ų15654.7 Ų54.768%0.67829%0.292SS*.Hα-helixtrans-81.6-39.3-177.6-68.8174.5-176.8179.50112.8L197 C198 C199L197-K201 WeakPolarHBondContact O-CG 3.17Å; C198-K201 WeakPolarHBondContact O-CA 3.47Å; C198-K201 WeakPolarHBondContact O-CB 3.3Å; C198-K201 PolarHBondContact O-N 3.37Å; C199-K201 PolarHBondContact O-N 2.83Å
202T97Very high94.6Very high51 Ų5156.4 Ų56.431%0.31330%0.296SS..Hα-helixtrans-112.9-29.4-163.461.40000114C198 C199 Y204 W252C198-T202 PolarHBondContact O-N 3.21Å; C198-T202 PolarHBondContact O-OG1 3.32Å; C199-T202 PolarHBondContact O-N 2.94Å; T202-Y204 PolarHBondContact O-N 3.48Å; T202-W252 WeakPolarHBondContact CG2-O 3.32Å; T202-W252 PolarHBondContact OG1-N 3.16Å; T202-W252 PolarHBondContact OG1-O 3.43Å
203S97.5Very high95Very high0 Ų055.5 Ų55.50%029%0.29CS..  trans-73.4124.3178.7172.20000111.2C199 L205 F206 R207 D250C199-S203 VanDerWaalsContact O-CB 3.28Å; C199-S203 WeakPolarHBondContact O-CB 3.28Å; C199-S203 PolarHBondContact O-N 2.81Å; S203-L205 PolarHBondContact OG-N 3.39Å; S203-F206 WeakPolarHBondContact OG-CB 3.46Å; S203-F206 PolarHBondContact OG-N 2.83Å; S203-R207 PolarHBondContact O-N 2.83Å; S203-R207 PolarHBondContact O-NE 3.31Å; S203-D250 WeakPolarHBondContact CA-OD2 3.28Å; S203-D250 VanDerWaalsContact CB-OD2 3.27Å; S203-D250 WeakPolarHBondContact CB-OD2 3.35Å; S203-D250 PolarHBondContact OG-OD2 3.21Å
204Y97.1Very high95.4Very high148 Ų14852.4 Ų52.458%0.5827%0.271SS*.Hα-helixtrans-75.5-37.3172-176.2-92000110.6T202 F206 R207 N208 D250T202-Y204 PolarHBondContact O-N 3.48Å; Y204-F206 VanDerWaalsContact C-N 3.27Å; Y204-F206 PolarHBondContact O-N 2.87Å; Y204-R207 PolarHBondContact O-N 2.9Å; Y204-N208 VanDerWaalsContact CD2-ND2 3.27Å; Y204-N208 WeakPolarHBondContact CD2-ND2 3.46Å; Y204-N208 HydrophobicContact CE1-CB 4.33Å; Y204-N208 WeakPolarHBondContact CE1-ND2 3.25Å; Y204-N208 WeakPolarHBondContact CE2-ND2 3.46Å; Y204-N208 VanDerWaalsContact CZ-ND2 3.25Å; Y204-N208 PolarHBondContact O-N 3.47Å; Y204-N208 VanDerWaalsContact O-N 3.15Å; Y204-N208 PolarHBondContact O-ND2 2.8Å; Y204-D250 PolarHBondContact N-OD2 2.92Å
205L97.6Very high95.7Very high83 Ų8353.1 Ų53.144%0.43527%0.269SS..Hα-helixtrans-60.5-38175.7-64.3-176.1000111.6S203 G209 L247 D250S203-L205 PolarHBondContact OG-N 3.39Å; L205-G209 VanDerWaalsContact O-CA 3.23Å; L205-G209 WeakPolarHBondContact O-CA 3.16Å; L205-G209 PolarHBondContact O-N 3.32Å; L205-L247 VanDerWaalsContact C-CD2 3.47Å; L205-L247 HydrophobicContact CB-CD2 3.54Å; L205-D250 HydrophobicContact CB-CB 4.4Å; L205-D250 HydrophobicContact CD1-CB 3.78Å; L205-D250 HydrophobicContact CG-CB 4.09Å; L205-D250 PolarHBondContact N-OD2 2.9Å
206F97.2Very high95.9Very high10 Ų1057.5 Ų57.54%0.04429%0.292CS..Iπ-helixtrans-64.7-55.1177.7-175.2-86.1000111.2W17 V200 S203 Y204 N208 R210 L247W17-F206 VanDerWaalsContact O-CE2 3.23Å; W17-F206 WeakPolarHBondContact O-CE2 3.16Å; W17-F206 WeakPolarHBondContact O-CZ 3.17Å; V200-F206 HydrophobicContact CB-CE1 4.33Å; V200-F206 HydrophobicContact CG2-CD1 4.23Å; V200-F206 HydrophobicContact CG2-CE1 3.65Å; V200-F206 HydrophobicContact CG2-CZ 3.9Å; S203-F206 WeakPolarHBondContact OG-CB 3.46Å; S203-F206 PolarHBondContact OG-N 2.83Å; Y204-F206 VanDerWaalsContact C-N 3.27Å; Y204-F206 PolarHBondContact O-N 2.87Å; F206-N208 VanDerWaalsContact C-N 3.27Å; F206-N208 PolarHBondContact O-N 2.78Å; F206-R210 HydrophobicContact CD2-CB 3.99Å; F206-R210 HydrophobicContact CD2-CG 4.12Å; F206-R210 HydrophobicContact CE2-CB 4.07Å; F206-R210 HydrophobicContact CE2-CG 3.78Å; F206-R210 HydrophobicContact CG-CB 4.35Å; F206-R210 HydrophobicContact CZ-CB 4.5Å; F206-R210 HydrophobicContact CZ-CG 4.3Å; F206-R210 VanDerWaalsContact O-CB 3.3Å; F206-R210 WeakPolarHBondContact O-CB 3.5Å; F206-R210 PolarHBondContact O-N 2.98Å; F206-R210 VanDerWaalsContact O-N 3.13Å; F206-L247 HydrophobicContact CB-CD2 4.1Å; F206-L247 HydrophobicContact CD2-CD1 4.13Å
207R94.6Very high96.1Very high141 Ų14157.4 Ų57.453%0.53229%0.291SS..Iπ-helixtrans-61.5-33.8-173.8-73-179.5-74.9160.3-7.9113.2S203 Y204S203-R207 PolarHBondContact O-N 2.83Å; S203-R207 PolarHBondContact O-NE 3.31Å; Y204-R207 PolarHBondContact O-N 2.9Å
208N95.5Very high96.3Very high87 Ų8756.5 Ų56.547%0.46529%0.285SS..Iπ-helixtrans-104-27.4-175.3-60.5-81000113.5Y204 F206Y204-N208 VanDerWaalsContact CD2-ND2 3.27Å; Y204-N208 WeakPolarHBondContact CD2-ND2 3.46Å; Y204-N208 HydrophobicContact CE1-CB 4.33Å; Y204-N208 WeakPolarHBondContact CE1-ND2 3.25Å; Y204-N208 WeakPolarHBondContact CE2-ND2 3.46Å; Y204-N208 VanDerWaalsContact CZ-ND2 3.25Å; Y204-N208 PolarHBondContact O-N 3.47Å; Y204-N208 VanDerWaalsContact O-N 3.15Å; Y204-N208 PolarHBondContact O-ND2 2.8Å; F206-N208 VanDerWaalsContact C-N 3.27Å; F206-N208 PolarHBondContact O-N 2.78Å
209G95Very high96.5Very high30 Ų3062.5 Ų62.531%0.30931%0.307SS..Iπ-helixtrans-107.7-30.5-170.800000115.3L205 P212 S213L205-G209 VanDerWaalsContact O-CA 3.23Å; L205-G209 WeakPolarHBondContact O-CA 3.16Å; L205-G209 PolarHBondContact O-N 3.32Å; G209-P212 WeakPolarHBondContact O-CD 3.41Å; G209-S213 WeakPolarHBondContact O-CB 3.23Å; G209-S213 PolarHBondContact O-N 3.38Å; G209-S213 PolarHBondContact O-OG 2.99Å
210R96.4Very high96.6Very high1 Ų165.9 Ų65.90%0.00432%0.324CS..Iπ-helixtrans-69.5-44.9-168.7-176.860.7-168.7167.84.2113.2K15 T29 F206 S213 S214 E240 L247K15-R210 PolarHBondContact O-NH2 2.86Å; T29-R210 HydrophobicContact CG2-CG 4.08Å; F206-R210 HydrophobicContact CD2-CB 3.99Å; F206-R210 HydrophobicContact CD2-CG 4.12Å; F206-R210 HydrophobicContact CE2-CB 4.07Å; F206-R210 HydrophobicContact CE2-CG 3.78Å; F206-R210 HydrophobicContact CG-CB 4.35Å; F206-R210 HydrophobicContact CZ-CB 4.5Å; F206-R210 HydrophobicContact CZ-CG 4.3Å; F206-R210 VanDerWaalsContact O-CB 3.3Å; F206-R210 WeakPolarHBondContact O-CB 3.5Å; F206-R210 PolarHBondContact O-N 2.98Å; F206-R210 VanDerWaalsContact O-N 3.13Å; R210-S213 PolarHBondContact O-OG 2.97Å; R210-S214 VanDerWaalsContact O-CB 3.24Å; R210-S214 WeakPolarHBondContact O-CB 3.42Å; R210-S214 PolarHBondContact O-N 3.33Å; R210-S214 PolarHBondContact O-OG 3.18Å; R210-S214 VanDerWaalsContact O-OG 3.11Å; R210-E240 IonicContact CZ-OE1 3.75Å; R210-E240 IonicContact CZ-OE2 3.65Å; R210-E240 VanDerWaalsContact NH1-CD 3.34Å; R210-E240 IonicContact NH1-OE1 3.36Å; R210-E240 PolarHBondContact NH1-OE1 3.38Å; R210-E240 IonicContact NH1-OE2 3.46Å; R210-E240 PolarHBondContact NH1-OE2 3.45Å; R210-E240 VanDerWaalsContact NH1-OE2 3.11Å; R210-E240 IonicContact NH2-OE1 2.73Å; R210-E240 IonicContact NH2-OE2 3.62Å; R210-E240 PolarHBondContact NH2-OE2 2.96Å; R210-L247 HydrophobicContact CB-CD1 4.32Å; R210-L247 HydrophobicContact CG-CD1 4.28Å
211V92.8Very high96.8Very high60 Ų6063.9 Ų63.936%0.36431%0.311SS..Hα-helixtrans-62.4-51.8-1781750000111.8T29 S214 K215T29-V211 HydrophobicContact CG2-CB 4.5Å; T29-V211 HydrophobicContact CG2-CG2 3.99Å; V211-S214 PolarHBondContact O-OG 3.46Å; V211-K215 PolarHBondContact O-N 2.85Å
212P95.5Very high97Very high74 Ų7458.9 Ų58.948%0.48129%0.292SS..Hα-helixtrans-62.5-45.7178.2-23.434.5000113.3G209 S214 K215 I216G209-P212 WeakPolarHBondContact O-CD 3.41Å; P212-S214 PolarHBondContact O-N 2.76Å; P212-K215 PolarHBondContact O-N 3.35Å; P212-I216 PolarHBondContact O-N 3Å
213S97.4Very high97.1Very high15 Ų1559.3 Ų59.311%0.10530%0.297CS..Hα-helixtrans-65.7-39.7-178.355.60000112.6G209 R210 K215 I216 H217 Q243G209-S213 WeakPolarHBondContact O-CB 3.23Å; G209-S213 PolarHBondContact O-N 3.38Å; G209-S213 PolarHBondContact O-OG 2.99Å; R210-S213 PolarHBondContact O-OG 2.97Å; S213-K215 VanDerWaalsContact C-N 3.29Å; S213-K215 PolarHBondContact O-N 2.99Å; S213-I216 PolarHBondContact O-N 3.44Å; S213-I216 VanDerWaalsContact O-N 3.1Å; S213-H217 PolarHBondContact O-N 2.88Å; S213-Q243 VanDerWaalsContact CB-NE2 3.29Å; S213-Q243 PolarHBondContact OG-NE2 3.39Å; S213-Q243 PolarHBondContact OG-OE1 2.66Å; S213-Q243 VanDerWaalsContact OG-OE1 3.11Å
214S97Very high97.2Very high3 Ų359.5 Ų59.52%0.02130%0.298CS..Hα-helixtrans-59.2-38.5176.967.90000112.8T29 R210 V211 P212 I216 E218T29-S214 WeakPolarHBondContact CB-OG 3.36Å; T29-S214 VanDerWaalsContact CG2-OG 3.25Å; T29-S214 WeakPolarHBondContact CG2-OG 3.3Å; R210-S214 VanDerWaalsContact O-CB 3.24Å; R210-S214 WeakPolarHBondContact O-CB 3.42Å; R210-S214 PolarHBondContact O-N 3.33Å; R210-S214 PolarHBondContact O-OG 3.18Å; R210-S214 VanDerWaalsContact O-OG 3.11Å; V211-S214 PolarHBondContact O-OG 3.46Å; P212-S214 PolarHBondContact O-N 2.76Å; S214-I216 VanDerWaalsContact C-N 3.33Å; S214-I216 PolarHBondContact O-N 3.31Å; S214-E218 WeakPolarHBondContact O-CB 3.04Å; S214-E218 PolarHBondContact O-N 2.7Å
215K97Very high97.3Very high119 Ų11952.4 Ų52.452%0.51727%0.27SS..Hα-helixtrans-68.4-31.1177.2-69.5179.2178.6-178.10113V211 P212 S213 K219V211-K215 PolarHBondContact O-N 2.85Å; P212-K215 PolarHBondContact O-N 3.35Å; S213-K215 VanDerWaalsContact C-N 3.29Å; S213-K215 PolarHBondContact O-N 2.99Å; K215-K219 WeakPolarHBondContact O-CG 3.31Å
216I98.3Very high97.3Very high92 Ų9254.9 Ų54.947%0.47228%0.277SS..Hα-helixtrans-72.2-55175.6-65.8167.8000108.8P212 S213 S214 E218 K219 E220P212-I216 PolarHBondContact O-N 3Å; S213-I216 PolarHBondContact O-N 3.44Å; S213-I216 VanDerWaalsContact O-N 3.1Å; S214-I216 VanDerWaalsContact C-N 3.33Å; S214-I216 PolarHBondContact O-N 3.31Å; I216-E218 VanDerWaalsContact C-N 3.27Å; I216-E218 PolarHBondContact O-N 3.4Å; I216-K219 PolarHBondContact O-N 2.9Å; I216-K219 VanDerWaalsContact O-N 3.08Å; I216-E220 HydrophobicContact CG2-CG 4.5Å; I216-E220 WeakPolarHBondContact CG2-OE1 3.48Å; I216-E220 PolarHBondContact O-N 3.12Å; I216-E220 VanDerWaalsContact O-N 3.09Å
217H98.6Very high97.4Very high8 Ų859.4 Ų59.44%0.03730%0.302CS..Hα-helixtrans-63.4-31.7-178.5-60.3164.5000112.4L14 S213 K219 E220 I221 V236 E240L14-H217 HydrophobicContact CD1-CB 3.85Å; S213-H217 PolarHBondContact O-N 2.88Å; H217-K219 PolarHBondContact O-N 2.93Å; H217-E220 IonicContact CD2-OE2 2.7Å; H217-E220 PolarHBondContact CD2-OE2 3.23Å; H217-E220 VanDerWaalsContact CD2-OE2 3.32Å; H217-E220 PolarHBondContact O-N 2.71Å; H217-I221 WeakPolarHBondContact O-CB 3.34Å; H217-I221 VanDerWaalsContact O-CG1 3.29Å; H217-I221 WeakPolarHBondContact O-CG1 3.28Å; H217-I221 PolarHBondContact O-N 3.45Å; H217-V236 HydrophobicContact CB-CG2 3.75Å; H217-E240 HydrophobicContact CB-CG 4.04Å; H217-E240 IonicContact CE1-OE1 2.88Å; H217-E240 IonicContact CG-OE1 2.81Å; H217-E240 IonicContact ND1-OE1 2.67Å; H217-E240 PolarHBondContact ND1-OE1 3.12Å
218E98.4Very high97.5Very high30 Ų3058.7 Ų58.714%0.1430%0.299CS..Hα-helixtrans-57.7-46.4172.4179.8172-140.400111.8L14 S30 I32 Q153 S214 I216 I222L14-E218 HydrophobicContact CD2-CB 3.78Å; L14-E218 HydrophobicContact CD2-CG 4.17Å; S30-E218 WeakPolarHBondContact CB-OE1 3.27Å; S30-E218 PolarHBondContact OG-OE1 2.71Å; I32-E218 HydrophobicContact CD1-CG 4.24Å; Q153-E218 PolarHBondContact NE2-OE1 3.04Å; S214-E218 WeakPolarHBondContact O-CB 3.04Å; S214-E218 PolarHBondContact O-N 2.7Å; I216-E218 VanDerWaalsContact C-N 3.27Å; I216-E218 PolarHBondContact O-N 3.4Å; E218-I222 HydrophobicContact CG-CD1 4.02Å; E218-I222 WeakPolarHBondContact O-CB 2.96Å; E218-I222 VanDerWaalsContact O-CG1 3.24Å; E218-I222 WeakPolarHBondContact O-CG1 3.16Å; E218-I222 PolarHBondContact O-N 3.46Å
219K98.5Very high97.7Very high161 Ų16158 Ų5870%0.730%0.296SS*.Hα-helixtrans-67.3-43.5177.6-67.3176.4-177.8-178.10111.7K215 I216 H217 I222 S223K215-K219 WeakPolarHBondContact O-CG 3.31Å; I216-K219 PolarHBondContact O-N 2.9Å; I216-K219 VanDerWaalsContact O-N 3.08Å; H217-K219 PolarHBondContact O-N 2.93Å; K219-I222 PolarHBondContact O-N 2.83Å; K219-S223 WeakPolarHBondContact O-CB 3.47Å; K219-S223 PolarHBondContact O-N 2.75Å
220E98.8Very high97.9Very high72 Ų7257 Ų5734%0.33628%0.283SS..Hα-helixtrans-60.9-46.8178.3-70.4171.5173.900111.3I216 H217 S223 A224 V236I216-E220 HydrophobicContact CG2-CG 4.5Å; I216-E220 WeakPolarHBondContact CG2-OE1 3.48Å; I216-E220 PolarHBondContact O-N 3.12Å; I216-E220 VanDerWaalsContact O-N 3.09Å; H217-E220 IonicContact CD2-OE2 2.7Å; H217-E220 PolarHBondContact CD2-OE2 3.23Å; H217-E220 VanDerWaalsContact CD2-OE2 3.32Å; H217-E220 PolarHBondContact O-N 2.71Å; E220-S223 PolarHBondContact O-N 3.32Å; E220-A224 WeakPolarHBondContact O-CB 3.4Å; E220-A224 PolarHBondContact O-N 3.45Å; E220-V236 HydrophobicContact CB-CB 4.33Å; E220-V236 HydrophobicContact CB-CG2 3.95Å; E220-V236 WeakPolarHBondContact OE2-CG2 3.37Å
221I98.8Very high98Very high0 Ų059.1 Ų59.10%030%0.298CS..Hα-helixtrans-63-48.4177.1-72.7165000110.7L13 L14 I32 H217 S223 A224 L225 L233 V236 E240L13-I221 HydrophobicContact CB-CD1 4.26Å; L13-I221 HydrophobicContact CB-CG2 4.43Å; L14-I221 HydrophobicContact CB-CD1 3.65Å; L14-I221 HydrophobicContact CD1-CD1 4.36Å; I32-I221 HydrophobicContact CB-CG2 4.33Å; I32-I221 HydrophobicContact CD1-CB 4.16Å; I32-I221 HydrophobicContact CD1-CG2 3.76Å; I32-I221 HydrophobicContact CG2-CG2 4Å; H217-I221 WeakPolarHBondContact O-CB 3.34Å; H217-I221 VanDerWaalsContact O-CG1 3.29Å; H217-I221 WeakPolarHBondContact O-CG1 3.28Å; H217-I221 PolarHBondContact O-N 3.45Å; I221-S223 VanDerWaalsContact C-N 3.28Å; I221-S223 PolarHBondContact O-N 2.96Å; I221-A224 PolarHBondContact O-N 2.94Å; I221-L225 HydrophobicContact CG2-CD1 3.83Å; I221-L225 HydrophobicContact CG2-CG 4.16Å; I221-L225 WeakPolarHBondContact O-CB 3.18Å; I221-L225 WeakPolarHBondContact O-CG 3.19Å; I221-L225 PolarHBondContact O-N 3.14Å; I221-L233 HydrophobicContact CG2-CD1 4.35Å; I221-V236 HydrophobicContact CB-CG1 4.47Å; I221-V236 HydrophobicContact CD1-CG1 4.27Å; I221-V236 HydrophobicContact CD1-CG2 4.1Å; I221-V236 HydrophobicContact CG1-CB 4.23Å; I221-V236 HydrophobicContact CG1-CG1 3.36Å; I221-V236 HydrophobicContact CG1-CG2 3.79Å; I221-E240 HydrophobicContact CD1-CG 4.45Å
222I98.7Very high98.3Very high52 Ų5258.1 Ų58.127%0.26730%0.296SS..Hα-helixtrans-60.6-40.4179.6-69.6169.3000110.9I32 L167 E218 K219 K226I32-I222 HydrophobicContact CD1-CD1 4.17Å; I32-I222 HydrophobicContact CD1-CG1 3.74Å; L167-I222 HydrophobicContact CD1-CG1 4.06Å; E218-I222 HydrophobicContact CG-CD1 4.02Å; E218-I222 WeakPolarHBondContact O-CB 2.96Å; E218-I222 VanDerWaalsContact O-CG1 3.24Å; E218-I222 WeakPolarHBondContact O-CG1 3.16Å; E218-I222 PolarHBondContact O-N 3.46Å; K219-I222 PolarHBondContact O-N 2.83Å; I222-K226 WeakPolarHBondContact O-CB 2.92Å; I222-K226 PolarHBondContact O-N 2.88Å
223S98.8Very high98.4Very high60 Ų6054.7 Ų54.742%0.4227%0.273SS..Hα-helixtrans-64.4-50.1176.2-159.80000111.6K219 E220 I221 L225 K226 D227K219-S223 WeakPolarHBondContact O-CB 3.47Å; K219-S223 PolarHBondContact O-N 2.75Å; E220-S223 PolarHBondContact O-N 3.32Å; I221-S223 VanDerWaalsContact C-N 3.28Å; I221-S223 PolarHBondContact O-N 2.96Å; S223-L225 VanDerWaalsContact C-N 3.29Å; S223-L225 PolarHBondContact O-N 3.35Å; S223-K226 WeakPolarHBondContact O-CB 3.35Å; S223-K226 PolarHBondContact O-N 2.88Å; S223-K226 VanDerWaalsContact O-N 3.14Å; S223-D227 PolarHBondContact O-N 3.31Å
224A98.8Very high98.5Very high3 Ų354 Ų543%0.02527%0.269CS..Hα-helixtrans-61.2-38.7-18000000112.2E220 I221 R228 D229 A232 L233E220-A224 WeakPolarHBondContact O-CB 3.4Å; E220-A224 PolarHBondContact O-N 3.45Å; I221-A224 PolarHBondContact O-N 2.94Å; A224-R228 WeakPolarHBondContact O-CA 3.14Å; A224-R228 PolarHBondContact O-N 2.94Å; A224-D229 PolarHBondContact O-N 3.46Å; A224-A232 HydrophobicContact CB-CB 3.8Å; A224-L233 HydrophobicContact CB-CB 3.91Å; A224-L233 HydrophobicContact CB-CD1 4.47Å
225L98.7Very high98.6Very high0 Ų058.9 Ų58.90%029%0.291CS..Hα-helixtrans-63.9-49.2172.8-69.8179.4000111.3L13 I32 F151 L167 F168 Y172 W173 I221 S223 D227 R228 L233L13-L225 HydrophobicContact CD1-CD2 4.46Å; I32-L225 HydrophobicContact CG2-CD1 4.29Å; F151-L225 HydrophobicContact CB-CD1 4.13Å; F151-L225 HydrophobicContact CD1-CD1 3.68Å; F151-L225 HydrophobicContact CD1-CD2 3.35Å; F151-L225 HydrophobicContact CD1-CG 4.14Å; F151-L225 HydrophobicContact CE1-CD1 4.4Å; F151-L225 HydrophobicContact CE1-CD2 3.18Å; F151-L225 HydrophobicContact CE1-CG 4.39Å; F151-L225 HydrophobicContact CG-CD1 4.13Å; F151-L225 HydrophobicContact CG-CD2 4.23Å; F151-L225 HydrophobicContact CZ-CD2 3.97Å; L167-L225 HydrophobicContact CD1-CD1 4.47Å; F168-L225 HydrophobicContact CD2-CB 4.05Å; F168-L225 HydrophobicContact CE2-CB 3.66Å; Y172-L225 VanDerWaalsContact CE1-O 3.3Å; Y172-L225 WeakPolarHBondContact CE1-O 3.42Å; W173-L225 HydrophobicContact CE3-CD2 4.21Å; W173-L225 HydrophobicContact CZ3-CD2 4.01Å; I221-L225 HydrophobicContact CG2-CD1 3.83Å; I221-L225 HydrophobicContact CG2-CG 4.16Å; I221-L225 WeakPolarHBondContact O-CB 3.18Å; I221-L225 WeakPolarHBondContact O-CG 3.19Å; I221-L225 PolarHBondContact O-N 3.14Å; S223-L225 VanDerWaalsContact C-N 3.29Å; S223-L225 PolarHBondContact O-N 3.35Å; L225-D227 VanDerWaalsContact C-N 3.28Å; L225-D227 PolarHBondContact O-N 3.35Å; L225-R228 PolarHBondContact O-N 3.36Å; L225-L233 HydrophobicContact CD2-CD1 3.92Å; L225-L233 HydrophobicContact CD2-CD2 4.02Å; L225-L233 HydrophobicContact CG-CD1 4.24Å
226K98.5Very high98.7Very high134 Ų13453.4 Ų53.458%0.58327%0.268SS*.Hα-helixtrans-55.9-44.3179.6-174.9-176176.2-171.80111.7F168 Y172 I222 S223 R228F168-K226 HydrophobicContact CZ-CB 4Å; F168-K226 HydrophobicContact CZ-CG 4.47Å; Y172-K226 PolarHBondContact OH-O 2.95Å; I222-K226 WeakPolarHBondContact O-CB 2.92Å; I222-K226 PolarHBondContact O-N 2.88Å; S223-K226 WeakPolarHBondContact O-CB 3.35Å; S223-K226 PolarHBondContact O-N 2.88Å; S223-K226 VanDerWaalsContact O-N 3.14Å; K226-R228 VanDerWaalsContact C-N 3.33Å
227D98.5Very high98.7Very high106 Ų10649 Ų4957%0.56725%0.245SC*.Hα-helixtrans-88.1-2.5-175.1-59.2-32000113.2S223 L225 D229S223-D227 PolarHBondContact O-N 3.31Å; L225-D227 VanDerWaalsContact C-N 3.28Å; L225-D227 PolarHBondContact O-N 3.35Å; D227-D229 PolarHBondContact O-N 3.03Å
228R98.5Very high98.7Very high126 Ų12649.2 Ų49.248%0.47525%0.246SC..THydrogen-bonded Turntrans50.439.4-170.7-66.6-177.4-76.8176.5-4.5112.2Y172 W173 A224 L225 K226 F230Y172-R228 HydrophobicContact CE1-CG 3.96Å; W173-R228 HydrophobicContact CB-CG 4.45Å; W173-R228 HydrophobicContact CD2-CB 3.98Å; W173-R228 HydrophobicContact CD2-CG 3.73Å; W173-R228 HydrophobicContact CE3-CB 4.26Å; W173-R228 HydrophobicContact CE3-CG 3.97Å; W173-R228 HydrophobicContact CG-CG 3.96Å; W173-R228 VanDerWaalsContact CH2-CA 3.45Å; W173-R228 HydrophobicContact CH2-CB 4.2Å; W173-R228 HydrophobicContact CZ2-CB 3.89Å; W173-R228 WeakPolarHBondContact CZ2-O 3.27Å; W173-R228 HydrophobicContact CZ3-CB 4.36Å; W173-R228 HydrophobicContact CZ3-CG 4.47Å; A224-R228 WeakPolarHBondContact O-CA 3.14Å; A224-R228 PolarHBondContact O-N 2.94Å; L225-R228 PolarHBondContact O-N 3.36Å; K226-R228 VanDerWaalsContact C-N 3.33Å; R228-F230 PolarHBondContact O-N 2.78Å
229D98.6Very high98.7Very high72 Ų7253.4 Ų53.439%0.38526%0.261SS..  trans-86.895176.6-175.3-17.9000109.4A224 D227 S231 A232 L233A224-D229 PolarHBondContact O-N 3.46Å; D227-D229 PolarHBondContact O-N 3.03Å; D229-S231 PolarHBondContact O-N 2.87Å; D229-S231 WeakPolarHBondContact OD1-CA 3.38Å; D229-S231 PolarHBondContact OD1-N 2.97Å; D229-A232 HydrophobicContact CB-CB 4.02Å; D229-A232 VanDerWaalsContact CG-CB 3.5Å; D229-A232 PolarHBondContact O-N 2.85Å; D229-A232 PolarHBondContact OD1-N 3.19Å; D229-A232 WeakPolarHBondContact OD2-CB 3.1Å; D229-L233 WeakPolarHBondContact O-CB 2.87Å; D229-L233 PolarHBondContact O-N 3.32Å
230F98.8Very high98.7Very high8 Ų845.8 Ų45.84%0.03523%0.228CC..Hα-helixtrans-61.3-34.8178.6-178.9-94.2000111.9W173 L176 R228 L233 A234 N279 V280 A282 L294 E296W173-F230 HydrophobicContact CH2-CB 4.32Å; W173-F230 HydrophobicContact CZ2-CB 3.96Å; L176-F230 HydrophobicContact CD1-CD2 4.02Å; L176-F230 HydrophobicContact CD1-CE2 4.08Å; R228-F230 PolarHBondContact O-N 2.78Å; F230-L233 PolarHBondContact O-N 3.43Å; F230-A234 HydrophobicContact CD1-CB 4.41Å; F230-A234 HydrophobicContact CE1-CB 3.99Å; F230-A234 HydrophobicContact CZ-CB 4.24Å; F230-A234 WeakPolarHBondContact O-CB 3.47Å; F230-A234 PolarHBondContact O-N 2.84Å; F230-N279 VanDerWaalsContact CD1-O 3.23Å; F230-N279 WeakPolarHBondContact CD1-O 3.13Å; F230-N279 WeakPolarHBondContact CE1-O 3.35Å; F230-V280 VanDerWaalsContact CE1-C 3.42Å; F230-A282 HydrophobicContact CZ-CB 4.39Å; F230-L294 HydrophobicContact CE2-CB 4.23Å; F230-L294 WeakPolarHBondContact CZ-O 3.28Å; F230-E296 HydrophobicContact CB-CG 4Å; F230-E296 HydrophobicContact CD2-CG 3.69Å; F230-E296 HydrophobicContact CE2-CG 4.39Å; F230-E296 HydrophobicContact CG-CG 3.82Å
231S98.5Very high98.7Very high47 Ų4742.3 Ų42.333%0.32921%0.212SC..Hα-helixtrans-69.1-43.5-176.6-710000111.8D229 E235 N279D229-S231 PolarHBondContact O-N 2.87Å; D229-S231 WeakPolarHBondContact OD1-CA 3.38Å; D229-S231 PolarHBondContact OD1-N 2.97Å; S231-E235 PolarHBondContact O-N 3.41Å; S231-N279 PolarHBondContact O-ND2 2.99Å
232A98.7Very high98.7Very high39 Ų3945.3 Ų45.332%0.32223%0.227SC..Hα-helixtrans-64.6-44.8173.300000111.5A224 D229 A234 E235 V236A224-A232 HydrophobicContact CB-CB 3.8Å; D229-A232 HydrophobicContact CB-CB 4.02Å; D229-A232 VanDerWaalsContact CG-CB 3.5Å; D229-A232 PolarHBondContact O-N 2.85Å; D229-A232 PolarHBondContact OD1-N 3.19Å; D229-A232 WeakPolarHBondContact OD2-CB 3.1Å; A232-A234 VanDerWaalsContact C-N 3.33Å; A232-A234 PolarHBondContact O-N 2.84Å; A232-E235 PolarHBondContact O-N 2.92Å; A232-V236 WeakPolarHBondContact O-CG1 3.45Å; A232-V236 PolarHBondContact O-N 3.18Å
233L98.9Very high98.6Very high1 Ų145 Ų451%0.00523%0.225CC..Hα-helixtrans-60.8-43.4178.4-177.766.7000111.5L13 W173 I221 A224 L225 D229 F230 V236 T237L13-L233 HydrophobicContact CD1-CD1 4.33Å; W173-L233 HydrophobicContact CH2-CB 4.5Å; W173-L233 HydrophobicContact CH2-CD2 4.03Å; W173-L233 HydrophobicContact CZ3-CD2 3.78Å; I221-L233 HydrophobicContact CG2-CD1 4.35Å; A224-L233 HydrophobicContact CB-CB 3.91Å; A224-L233 HydrophobicContact CB-CD1 4.47Å; L225-L233 HydrophobicContact CD2-CD1 3.92Å; L225-L233 HydrophobicContact CD2-CD2 4.02Å; L225-L233 HydrophobicContact CG-CD1 4.24Å; D229-L233 WeakPolarHBondContact O-CB 2.87Å; D229-L233 PolarHBondContact O-N 3.32Å; F230-L233 PolarHBondContact O-N 3.43Å; L233-V236 WeakPolarHBondContact O-CG1 3.4Å; L233-T237 WeakPolarHBondContact O-CB 3.45Å; L233-T237 PolarHBondContact O-N 2.87Å; L233-T237 PolarHBondContact O-OG1 3.5Å
234A98.8Very high98.6Very high1 Ų142.4 Ų42.41%0.00821%0.206CC..Hα-helixtrans-59.8-49.6179.900000111.4F230 A232 T237 M238 N279 A282F230-A234 HydrophobicContact CD1-CB 4.41Å; F230-A234 HydrophobicContact CE1-CB 3.99Å; F230-A234 HydrophobicContact CZ-CB 4.24Å; F230-A234 WeakPolarHBondContact O-CB 3.47Å; F230-A234 PolarHBondContact O-N 2.84Å; A232-A234 VanDerWaalsContact C-N 3.33Å; A232-A234 PolarHBondContact O-N 2.84Å; A234-T237 PolarHBondContact O-N 3.31Å; A234-M238 HydrophobicContact CB-CE 4.38Å; A234-M238 WeakPolarHBondContact O-CB 3.43Å; A234-M238 WeakPolarHBondContact O-CE 2.98Å; A234-M238 WeakPolarHBondContact O-CG 3.36Å; A234-M238 PolarHBondContact O-N 3.49Å; A234-N279 HydrophobicContact CB-CB 3.73Å; A234-A282 HydrophobicContact CB-CB 3.55Å
235E98.7Very high98.5Very high106 Ų10643.1 Ų43.150%0.49521%0.209SC..Hα-helixtrans-60.3-54.5-178.8-175.5179.2160.600111.5S231 A232 T237 M238 R239S231-E235 PolarHBondContact O-N 3.41Å; A232-E235 PolarHBondContact O-N 2.92Å; E235-T237 VanDerWaalsContact C-N 3.31Å; E235-T237 PolarHBondContact O-N 3.3Å; E235-M238 PolarHBondContact O-N 2.85Å; E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 VanDerWaalsContact O-CG 3.31Å; E235-R239 WeakPolarHBondContact O-CG 3.46Å; E235-R239 PolarHBondContact O-N 2.76Å
236V98.8Very high98.5Very high4 Ų445.2 Ų45.22%0.02423%0.226CC..Hα-helixtrans-64.1-37.3-177.866.90000111.8H217 E220 I221 A232 L233 R239 E240H217-V236 HydrophobicContact CB-CG2 3.75Å; E220-V236 HydrophobicContact CB-CB 4.33Å; E220-V236 HydrophobicContact CB-CG2 3.95Å; E220-V236 WeakPolarHBondContact OE2-CG2 3.37Å; I221-V236 HydrophobicContact CB-CG1 4.47Å; I221-V236 HydrophobicContact CD1-CG1 4.27Å; I221-V236 HydrophobicContact CD1-CG2 4.1Å; I221-V236 HydrophobicContact CG1-CB 4.23Å; I221-V236 HydrophobicContact CG1-CG1 3.36Å; I221-V236 HydrophobicContact CG1-CG2 3.79Å; A232-V236 WeakPolarHBondContact O-CG1 3.45Å; A232-V236 PolarHBondContact O-N 3.18Å; L233-V236 WeakPolarHBondContact O-CG1 3.4Å; V236-R239 PolarHBondContact O-N 2.98Å; V236-E240 WeakPolarHBondContact O-CB 3.47Å; V236-E240 PolarHBondContact O-N 2.85Å
237T98.9Very high98.5Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-65.5-42.9178-62.80000111.9L13 L233 A234 E235 E240 S241 T284 L294L13-T237 HydrophobicContact CD2-CG2 4.05Å; L233-T237 WeakPolarHBondContact O-CB 3.45Å; L233-T237 PolarHBondContact O-N 2.87Å; L233-T237 PolarHBondContact O-OG1 3.5Å; A234-T237 PolarHBondContact O-N 3.31Å; E235-T237 VanDerWaalsContact C-N 3.31Å; E235-T237 PolarHBondContact O-N 3.3Å; T237-E240 PolarHBondContact O-N 3.47Å; T237-S241 PolarHBondContact O-N 2.83Å; T237-T284 HydrophobicContact CG2-CG2 4.35Å; T237-L294 HydrophobicContact CG2-CD1 4.39Å
238M98.9Very high98.4Very high11 Ų1134 Ų345%0.05417%0.173CC..Hα-helixtrans-66.2-42.2175.7-72.8-174.8-6700111.3A234 E235 E240 S241 N242 V269 A282 Y283A234-M238 HydrophobicContact CB-CE 4.38Å; A234-M238 WeakPolarHBondContact O-CB 3.43Å; A234-M238 WeakPolarHBondContact O-CE 2.98Å; A234-M238 WeakPolarHBondContact O-CG 3.36Å; A234-M238 PolarHBondContact O-N 3.49Å; E235-M238 PolarHBondContact O-N 2.85Å; M238-E240 PolarHBondContact O-N 2.83Å; M238-S241 WeakPolarHBondContact O-CB 3.48Å; M238-S241 PolarHBondContact O-N 3.44Å; M238-N242 WeakPolarHBondContact O-CB 3.36Å; M238-N242 PolarHBondContact O-N 2.95Å; M238-N242 PolarHBondContact O-ND2 2.74Å; M238-N242 PolarHBondContact O-OD1 3.11Å; M238-V269 HydrophobicContact SD-CG1 3.72Å; M238-A282 HydrophobicContact CG-CB 4.11Å; M238-A282 HydrophobicContact SD-CB 4.39Å; M238-Y283 HydrophobicContact CB-CE1 4.37Å; M238-Y283 HydrophobicContact CB-CE2 4.23Å; M238-Y283 HydrophobicContact CG-CD1 3.9Å; M238-Y283 HydrophobicContact CG-CD2 4.22Å; M238-Y283 HydrophobicContact CG-CE1 3.9Å; M238-Y283 HydrophobicContact CG-CE2 4.21Å; M238-Y283 HydrophobicContact CG-CG 4.07Å; M238-Y283 WeakPolarHBondContact CG-O 3.36Å; M238-Y283 HydrophobicContact SD-CD1 3.69Å; M238-Y283 HydrophobicContact SD-CE1 3.58Å; M238-Y283 VanDerWaalsContact SD-CE1 3.58Å; M238-Y283 HydrophobicContact SD-CG 4.42Å
239R98.6Very high98.3Very high119 Ų11933.2 Ų33.245%0.44918%0.178SC..Hα-helixtrans-62.8-41.4176.2-70.9179.673.4-145.3-1.5112E235 V236 N242 Q243E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 VanDerWaalsContact O-CG 3.31Å; E235-R239 WeakPolarHBondContact O-CG 3.46Å; E235-R239 PolarHBondContact O-N 2.76Å; V236-R239 PolarHBondContact O-N 2.98Å; R239-N242 PolarHBondContact O-N 3.39Å; R239-Q243 WeakPolarHBondContact O-CB 3.43Å; R239-Q243 PolarHBondContact O-N 3.43Å
240E98.5Very high98.3Very high0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-61.4-44.9174-92.8-67.3106.200112.4L13 L14 K15 R210 H217 I221 V236 T237 M238 Q243 L244L13-E240 WeakPolarHBondContact O-CB 3.34Å; L14-E240 HydrophobicContact CD1-CG 4.15Å; L14-E240 WeakPolarHBondContact CD1-OE2 3.24Å; K15-E240 HydrophobicContact CG-CB 4.39Å; K15-E240 PolarHBondContact N-OE2 3.4Å; R210-E240 IonicContact CZ-OE1 3.75Å; R210-E240 IonicContact CZ-OE2 3.65Å; R210-E240 VanDerWaalsContact NH1-CD 3.34Å; R210-E240 IonicContact NH1-OE1 3.36Å; R210-E240 PolarHBondContact NH1-OE1 3.38Å; R210-E240 IonicContact NH1-OE2 3.46Å; R210-E240 PolarHBondContact NH1-OE2 3.45Å; R210-E240 VanDerWaalsContact NH1-OE2 3.11Å; R210-E240 IonicContact NH2-OE1 2.73Å; R210-E240 IonicContact NH2-OE2 3.62Å; R210-E240 PolarHBondContact NH2-OE2 2.96Å; H217-E240 HydrophobicContact CB-CG 4.04Å; H217-E240 IonicContact CE1-OE1 2.88Å; H217-E240 IonicContact CG-OE1 2.81Å; H217-E240 IonicContact ND1-OE1 2.67Å; H217-E240 PolarHBondContact ND1-OE1 3.12Å; I221-E240 HydrophobicContact CD1-CG 4.45Å; V236-E240 WeakPolarHBondContact O-CB 3.47Å; V236-E240 PolarHBondContact O-N 2.85Å; T237-E240 PolarHBondContact O-N 3.47Å; M238-E240 PolarHBondContact O-N 2.83Å; E240-Q243 PolarHBondContact O-N 3.31Å; E240-L244 PolarHBondContact O-N 3.4Å
241S98.4Very high98.2Very high0 Ų032.4 Ų32.40%017%0.173CC..Hα-helixtrans-59.7-49.8174.4-169.80000111.4T237 M238 Q243 L244 H245 F285T237-S241 PolarHBondContact O-N 2.83Å; M238-S241 WeakPolarHBondContact O-CB 3.48Å; M238-S241 PolarHBondContact O-N 3.44Å; S241-Q243 VanDerWaalsContact C-N 3.32Å; S241-Q243 PolarHBondContact O-N 2.96Å; S241-L244 PolarHBondContact O-N 3.45Å; S241-H245 PolarHBondContact O-CD2 2.87Å; S241-H245 PolarHBondContact O-N 3.49Å; S241-F285 PolarHBondContact OG-N 3.39Å
242N98.6Very high98.2Very high62 Ų6239.1 Ų39.133%0.33219%0.192SC..Hα-helixtrans-60.9-43.5179.7-68.4-11.2000111.2M238 R239 H245 A246 Y283M238-N242 WeakPolarHBondContact O-CB 3.36Å; M238-N242 PolarHBondContact O-N 2.95Å; M238-N242 PolarHBondContact O-ND2 2.74Å; M238-N242 PolarHBondContact O-OD1 3.11Å; R239-N242 PolarHBondContact O-N 3.39Å; N242-H245 PolarHBondContact O-N 3.25Å; N242-A246 PolarHBondContact O-N 3.27Å; N242-Y283 VanDerWaalsContact CG-OH 3.32Å; N242-Y283 PolarHBondContact ND2-OH 2.93Å; N242-Y283 VanDerWaalsContact OD1-CE2 3.25Å; N242-Y283 WeakPolarHBondContact OD1-CE2 3.37Å; N242-Y283 PolarHBondContact OD1-OH 3.4Å
243Q98.1Very high98.1Very high47 Ų4741.6 Ų41.622%0.2221%0.205CC..Hα-helixtrans-62.7-46.2178.9-167.5-172.581.100110.9S213 R239 E240 S241 H245 A246 L247S213-Q243 VanDerWaalsContact CB-NE2 3.29Å; S213-Q243 PolarHBondContact OG-NE2 3.39Å; S213-Q243 PolarHBondContact OG-OE1 2.66Å; S213-Q243 VanDerWaalsContact OG-OE1 3.11Å; R239-Q243 WeakPolarHBondContact O-CB 3.43Å; R239-Q243 PolarHBondContact O-N 3.43Å; E240-Q243 PolarHBondContact O-N 3.31Å; S241-Q243 VanDerWaalsContact C-N 3.32Å; S241-Q243 PolarHBondContact O-N 2.96Å; Q243-H245 VanDerWaalsContact C-N 3.27Å; Q243-H245 PolarHBondContact O-N 3.28Å; Q243-A246 WeakPolarHBondContact O-CB 3.2Å; Q243-A246 PolarHBondContact O-N 2.9Å; Q243-A246 VanDerWaalsContact O-N 3.11Å; Q243-L247 HydrophobicContact CG-CD1 4.34Å; Q243-L247 HydrophobicContact CG-CG 4.41Å; Q243-L247 VanDerWaalsContact O-CG 3.24Å; Q243-L247 WeakPolarHBondContact O-CG 3.29Å; Q243-L247 PolarHBondContact O-N 2.57Å
244L97.8Very high97.9Very high4 Ų444.1 Ų44.12%0.02122%0.221CC..Hα-helixtrans-51.2-48.1174.8168.664.1000111.7K15 W17 E240 S241 L247 C248K15-L244 HydrophobicContact CB-CB 4.4Å; K15-L244 HydrophobicContact CB-CD2 4.37Å; K15-L244 HydrophobicContact CD-CD2 4.01Å; K15-L244 HydrophobicContact CG-CB 4Å; K15-L244 HydrophobicContact CG-CD2 3.97Å; W17-L244 HydrophobicContact CB-CD1 3.71Å; W17-L244 HydrophobicContact CD2-CD1 3.39Å; W17-L244 HydrophobicContact CE3-CD1 3.64Å; W17-L244 HydrophobicContact CG-CD1 3.45Å; W17-L244 VanDerWaalsContact CG-CD1 3.45Å; W17-L244 HydrophobicContact CZ3-CD1 4.41Å; E240-L244 PolarHBondContact O-N 3.4Å; S241-L244 PolarHBondContact O-N 3.45Å; L244-L247 WeakPolarHBondContact O-CB 3.35Å; L244-L247 PolarHBondContact O-N 2.77Å; L244-C248 PolarHBondContact O-N 2.96Å; L244-C248 PolarHBondContact O-SG 3.24Å
245H97.6Very high97.7Very high18 Ų1844.5 Ų44.58%0.08322%0.223CC..Hα-helixtrans-71.9-29.9-179.1-70.3-69.4000113.4S241 N242 Q243 C248 L249 L258 F285 D286S241-H245 PolarHBondContact O-CD2 2.87Å; S241-H245 PolarHBondContact O-N 3.49Å; N242-H245 PolarHBondContact O-N 3.25Å; Q243-H245 VanDerWaalsContact C-N 3.27Å; Q243-H245 PolarHBondContact O-N 3.28Å; H245-C248 PolarHBondContact O-N 2.98Å; H245-L249 WeakPolarHBondContact O-CB 3.24Å; H245-L249 PolarHBondContact O-N 2.92Å; H245-L258 HydrophobicContact CB-CD1 3.75Å; H245-L258 HydrophobicContact CB-CG 4.32Å; H245-F285 WeakPolarHBondContact NE2-CB 3.43Å; H245-D286 PolarHBondContact CE1-O 3.19Å; H245-D286 PolarHBondContact NE2-O 3.36Å
246A98Very high97.5Very high44 Ų4444.7 Ų44.736%0.36423%0.227SC..Hα-helixtrans-64.1-41.6169.600000111.9N242 Q243 L249 D250N242-A246 PolarHBondContact O-N 3.27Å; Q243-A246 WeakPolarHBondContact O-CB 3.2Å; Q243-A246 PolarHBondContact O-N 2.9Å; Q243-A246 VanDerWaalsContact O-N 3.11Å; A246-L249 PolarHBondContact O-N 3.11Å; A246-D250 WeakPolarHBondContact O-CB 3.35Å; A246-D250 PolarHBondContact O-N 2.92Å
247L97.9Very high97.3Very high4 Ų445.1 Ų45.12%0.02123%0.228CC..Hα-helixtrans-64-40.6175.1-61173.1000111.7L205 F206 R210 Q243 L244 L249 T251L205-L247 VanDerWaalsContact C-CD2 3.47Å; L205-L247 HydrophobicContact CB-CD2 3.54Å; F206-L247 HydrophobicContact CB-CD2 4.1Å; F206-L247 HydrophobicContact CD2-CD1 4.13Å; R210-L247 HydrophobicContact CB-CD1 4.32Å; R210-L247 HydrophobicContact CG-CD1 4.28Å; Q243-L247 HydrophobicContact CG-CD1 4.34Å; Q243-L247 HydrophobicContact CG-CG 4.41Å; Q243-L247 VanDerWaalsContact O-CG 3.24Å; Q243-L247 WeakPolarHBondContact O-CG 3.29Å; Q243-L247 PolarHBondContact O-N 2.57Å; L244-L247 WeakPolarHBondContact O-CB 3.35Å; L244-L247 PolarHBondContact O-N 2.77Å; L247-L249 VanDerWaalsContact C-N 3.35Å; L247-T251 PolarHBondContact O-N 3.21Å; L247-T251 PolarHBondContact O-OG1 2.91Å
248C96.7Very high97.1Very high1 Ų146.2 Ų46.21%0.00723%0.234CC..Hα-helixtrans-64.8-37.7174.8-68.20000112.3W17 L244 H245 T251 C255 Y257W17-C248 WeakPolarHBondContact CZ2-SG 3.41Å; L244-C248 PolarHBondContact O-N 2.96Å; L244-C248 PolarHBondContact O-SG 3.24Å; H245-C248 PolarHBondContact O-N 2.98Å; C248-T251 WeakPolarHBondContact O-CB 3.31Å; C248-C255 HydrophobicContact CB-CB 4.12Å; C248-C255 VanDerWaalsContact CB-O 3.27Å; C248-C255 WeakPolarHBondContact CB-O 3.22Å; C248-C255 PolarHBondContact O-N 3.29Å; C248-Y257 HydrophobicContact CB-CD2 4.39Å
249L97Very high96.9Very high110 Ų11048.4 Ų48.458%0.57625%0.246SC*.Hα-helixtrans-72.8-36.6177.8-174.362.4000112.7H245 A246 L247 T251 P254 I256H245-L249 WeakPolarHBondContact O-CB 3.24Å; H245-L249 PolarHBondContact O-N 2.92Å; A246-L249 PolarHBondContact O-N 3.11Å; L247-L249 VanDerWaalsContact C-N 3.35Å; L249-T251 VanDerWaalsContact C-N 3.3Å; L249-P254 HydrophobicContact CD1-CB 4.37Å; L249-I256 HydrophobicContact CD1-CG1 4.49Å
250D97.7Very high96.7Very high62 Ų6250.9 Ų50.933%0.33226%0.262SS..Hα-helixtrans-74.8-17.2175.2-178.870.3000113.3S203 Y204 L205 A246S203-D250 WeakPolarHBondContact CA-OD2 3.28Å; S203-D250 VanDerWaalsContact CB-OD2 3.27Å; S203-D250 WeakPolarHBondContact CB-OD2 3.35Å; S203-D250 PolarHBondContact OG-OD2 3.21Å; Y204-D250 PolarHBondContact N-OD2 2.92Å; L205-D250 HydrophobicContact CB-CB 4.4Å; L205-D250 HydrophobicContact CD1-CB 3.78Å; L205-D250 HydrophobicContact CG-CB 4.09Å; L205-D250 PolarHBondContact N-OD2 2.9Å; A246-D250 WeakPolarHBondContact O-CB 3.35Å; A246-D250 PolarHBondContact O-N 2.92Å
251T97.4Very high96.6Very high0 Ų052.1 Ų52.10%027%0.269CS..SBendtrans-60.2144.5171.4-60.60000110C198 C199 L247 C248 L249 P253 P254C198-T251 HydrophobicContact CB-CG2 3.85Å; C198-T251 VanDerWaalsContact SG-CG2 3.54Å; C199-T251 VanDerWaalsContact CA-OG1 3.28Å; C199-T251 WeakPolarHBondContact CA-OG1 3.38Å; C199-T251 HydrophobicContact CB-CG2 4.13Å; C199-T251 WeakPolarHBondContact CB-OG1 3.36Å; C199-T251 PolarHBondContact SG-OG1 3.4Å; L247-T251 PolarHBondContact O-N 3.21Å; L247-T251 PolarHBondContact O-OG1 2.91Å; C248-T251 WeakPolarHBondContact O-CB 3.31Å; L249-T251 VanDerWaalsContact C-N 3.3Å; T251-P253 CarbonylContact C-O 3.54Å; T251-P253 CarbonylContact O-C 3.57Å; T251-P254 WeakPolarHBondContact O-CA 3.43Å; T251-P254 VanDerWaalsContact O-N 3.11Å
252W97.6Very high96.5Very high188 Ų18852.1 Ų52.171%0.71227%0.269SS*.SBendtrans-121.1122.3178.9-167.5-100.6000113.2C198 T202 P254C198-W252 PolarHBondContact SG-O 3.46Å; T202-W252 WeakPolarHBondContact CG2-O 3.32Å; T202-W252 PolarHBondContact OG1-N 3.16Å; T202-W252 PolarHBondContact OG1-O 3.43Å; W252-P254 HydrophobicContact CE3-CG 4.36Å; W252-P254 HydrophobicContact CZ3-CG 4.36Å
253P96.5Very high96.5Very high92 Ų9253.6 Ų53.660%0.59727%0.274SS*.SBendcis-60.7158.3-10.2-21.834.1000113.1T251T251-P253 CarbonylContact C-O 3.54Å; T251-P253 CarbonylContact O-C 3.57Å
254P96.6Very high96.5Very high54 Ų5452.2 Ų52.235%0.35127%0.269SS..  trans-62.6138.8-176.3-19.731.5000112.8L249 T251 W252 I256L249-P254 HydrophobicContact CD1-CB 4.37Å; T251-P254 WeakPolarHBondContact O-CA 3.43Å; T251-P254 VanDerWaalsContact O-N 3.11Å; W252-P254 HydrophobicContact CE3-CG 4.36Å; W252-P254 HydrophobicContact CZ3-CG 4.36Å; P254-I256 HydrophobicContact CB-CG1 4.2Å
255C94.5Very high96.6Very high8 Ų852 Ų525%0.05427%0.268CS..  trans-98.599.1171-66.70000109.2A195 C248 Y257A195-C255 HydrophobicContact CB-CB 4.24Å; A195-C255 VanDerWaalsContact CB-SG 3.59Å; C248-C255 HydrophobicContact CB-CB 4.12Å; C248-C255 VanDerWaalsContact CB-O 3.27Å; C248-C255 WeakPolarHBondContact CB-O 3.22Å; C248-C255 PolarHBondContact O-N 3.29Å; C255-Y257 HydrophobicContact CB-CE2 4.12Å
256I94.6Very high96.6Very high111 Ų11151.8 Ų51.857%0.56927%0.267SS*.  trans-97.6113.3-176.5-55.5174.5000109.5L249 P254 L258L249-I256 HydrophobicContact CD1-CG1 4.49Å; P254-I256 HydrophobicContact CB-CG1 4.2Å; I256-L258 WeakPolarHBondContact CG2-O 3.42Å
257Y93.4Very high96.6Very high13 Ų1354 Ų545%0.05127%0.273CS..  trans-110-33.8178.9-68-58.8000113.8W17 K188 V190 A195 C248 C255 A287W17-Y257 AromaticContact CH2-CE2 3.7Å; W17-Y257 HydrophobicContact CH2-CE2 3.7Å; W17-Y257 HydrophobicContact CZ2-CE2 4.22Å; K188-Y257 HydrophobicContact CD-CE1 4.3Å; V190-Y257 WeakPolarHBondContact O-CE1 3.43Å; V190-Y257 PolarHBondContact O-OH 2.87Å; V190-Y257 VanDerWaalsContact O-OH 3.12Å; A195-Y257 HydrophobicContact CB-CE2 4.48Å; A195-Y257 WeakPolarHBondContact CB-OH 3.29Å; C248-Y257 HydrophobicContact CB-CD2 4.39Å; C255-Y257 HydrophobicContact CB-CE2 4.12Å; Y257-A287 HydrophobicContact CD1-CB 4.34Å; Y257-A287 WeakPolarHBondContact CD1-O 3.47Å; Y257-A287 HydrophobicContact CD2-CB 3.99Å; Y257-A287 HydrophobicContact CE1-CB 4.11Å; Y257-A287 HydrophobicContact CE2-CB 3.73Å; Y257-A287 HydrophobicContact CG-CB 4.29Å
258L95.1Very high96.7Very high22 Ų2253.9 Ų53.912%0.11527%0.272CS..  trans-79.3146.4176.3-57.8178.9000109.6H245 I256 M266 F285H245-L258 HydrophobicContact CB-CD1 3.75Å; H245-L258 HydrophobicContact CB-CG 4.32Å; I256-L258 WeakPolarHBondContact CG2-O 3.42Å; L258-M266 HydrophobicContact CD1-CE 3.48Å; L258-M266 VanDerWaalsContact CD1-CE 3.48Å; L258-M266 HydrophobicContact CD1-SD 4.46Å; L258-M266 HydrophobicContact CD2-CE 4.03Å; L258-M266 HydrophobicContact CG-CE 4.39Å; L258-F285 HydrophobicContact CD2-CB 3.95Å; L258-F285 HydrophobicContact CD2-CD1 3.67Å; L258-F285 HydrophobicContact CD2-CD2 4.32Å; L258-F285 HydrophobicContact CD2-CE1 4.2Å; L258-F285 HydrophobicContact CD2-CG 3.74Å
259N93.9Very high96.8Very high58 Ų5853.8 Ų53.831%0.3127%0.272SS..  trans-124179.3172.864.79.3000110.3L261 S262 H263N259-L261 PolarHBondContact O-N 3.03Å; N259-L261 PolarHBondContact OD1-N 2.92Å; N259-S262 PolarHBondContact N-OG 3.26Å; N259-S262 VanDerWaalsContact N-OG 3.16Å; N259-S262 WeakPolarHBondContact O-CA 3.34Å; N259-S262 VanDerWaalsContact O-CB 3.25Å; N259-S262 WeakPolarHBondContact O-CB 3.35Å; N259-S262 PolarHBondContact O-N 2.94Å; N259-S262 PolarHBondContact OD1-N 3.31Å; N259-S262 PolarHBondContact OD1-OG 3.19Å; N259-H263 PolarHBondContact O-CD2 3.27Å; N259-H263 PolarHBondContact O-N 3.23Å
260E95.6Very high96.8Very high170 Ų17052.1 Ų52.179%0.79426%0.261SS*.Hα-helixtrans-52.9-41.1180-64.4176.7179.600112.9H263 S264E260-H263 PolarHBondContact O-N 3.02Å; E260-S264 PolarHBondContact O-N 3.49Å; E260-S264 PolarHBondContact O-OG 3.16Å
261L95.9Very high96.9Very high27 Ų2750.2 Ų50.214%0.14125%0.253CS..Hα-helixtrans-68.5-34.8177.2-179.859.3000112.5T183 N259 H263 S264 I265 F311 I363 G366T183-L261 HydrophobicContact CG2-CD2 3.58Å; T183-L261 HydrophobicContact CG2-CG 4.01Å; N259-L261 PolarHBondContact O-N 3.03Å; N259-L261 PolarHBondContact OD1-N 2.92Å; L261-H263 VanDerWaalsContact C-N 3.35Å; L261-S264 PolarHBondContact O-N 2.83Å; L261-I265 HydrophobicContact CG-CD1 4.48Å; L261-I265 WeakPolarHBondContact O-CG1 3.23Å; L261-I265 PolarHBondContact O-N 3.12Å; L261-F311 HydrophobicContact CD1-CD1 3.83Å; L261-F311 HydrophobicContact CD1-CE1 3.91Å; L261-I363 HydrophobicContact CD1-CD1 4.23Å; L261-I363 HydrophobicContact CD1-CG2 4.35Å; L261-G366 WeakPolarHBondContact CD2-O 3.38Å
262S96.8Very high96.9Very high0 Ų050.3 Ų50.30%025%0.253CS..Hα-helixtrans-61.5-45.9173.4-49.20000110.6N259 S264 I265 M266 P289N259-S262 PolarHBondContact N-OG 3.26Å; N259-S262 VanDerWaalsContact N-OG 3.16Å; N259-S262 WeakPolarHBondContact O-CA 3.34Å; N259-S262 VanDerWaalsContact O-CB 3.25Å; N259-S262 WeakPolarHBondContact O-CB 3.35Å; N259-S262 PolarHBondContact O-N 2.94Å; N259-S262 PolarHBondContact OD1-N 3.31Å; N259-S262 PolarHBondContact OD1-OG 3.19Å; S262-S264 VanDerWaalsContact C-N 3.35Å; S262-I265 PolarHBondContact O-N 3.09Å; S262-M266 WeakPolarHBondContact O-CG 3.29Å; S262-M266 PolarHBondContact O-N 3.4Å; S262-M266 VanDerWaalsContact O-N 3.11Å; S262-P289 WeakPolarHBondContact OG-CA 3.47Å; S262-P289 PolarHBondContact OG-O 3.04Å
263H98.2Very high96.9Very high92 Ų9241.6 Ų41.643%0.42622%0.22SC..Hα-helixtrans-63.9-39.6175.7-69.9-64.8000112.1N259 E260 L261 I265 M266 D267N259-H263 PolarHBondContact O-CD2 3.27Å; N259-H263 PolarHBondContact O-N 3.23Å; E260-H263 PolarHBondContact O-N 3.02Å; L261-H263 VanDerWaalsContact C-N 3.35Å; H263-I265 VanDerWaalsContact C-N 3.29Å; H263-I265 PolarHBondContact O-N 3.07Å; H263-M266 WeakPolarHBondContact O-CA 3.45Å; H263-M266 WeakPolarHBondContact O-CB 3.45Å; H263-M266 PolarHBondContact O-N 3.49Å; H263-D267 PolarHBondContact O-N 3.44Å
264S98.4Very high97Very high19 Ų1942.5 Ų42.513%0.13322%0.22CC..Hα-helixtrans-62-36.8175.4-55.80000112.2E260 L261 S262 M266 D267 F268 P361 I363E260-S264 PolarHBondContact O-N 3.49Å; E260-S264 PolarHBondContact O-OG 3.16Å; L261-S264 PolarHBondContact O-N 2.83Å; S262-S264 VanDerWaalsContact C-N 3.35Å; S264-M266 VanDerWaalsContact C-N 3.34Å; S264-D267 PolarHBondContact O-N 2.88Å; S264-F268 WeakPolarHBondContact O-CB 3.29Å; S264-F268 PolarHBondContact O-N 3.38Å; S264-P361 WeakPolarHBondContact O-CG 3.39Å; S264-I363 VanDerWaalsContact CB-CD1 3.47Å; S264-I363 WeakPolarHBondContact OG-CD1 3.49Å
265I98.5Very high96.9Very high0 Ų044.4 Ų44.40%022%0.221CC..Hα-helixtrans-67.9-35.1173.5-67.7166.9000111.3C181 T183 L261 S262 H263 F268 V269 F285 A291 L293 F311C181-I265 HydrophobicContact CB-CD1 4.08Å; T183-I265 HydrophobicContact CG2-CD1 3.81Å; L261-I265 HydrophobicContact CG-CD1 4.48Å; L261-I265 WeakPolarHBondContact O-CG1 3.23Å; L261-I265 PolarHBondContact O-N 3.12Å; S262-I265 PolarHBondContact O-N 3.09Å; H263-I265 VanDerWaalsContact C-N 3.29Å; H263-I265 PolarHBondContact O-N 3.07Å; I265-F268 WeakPolarHBondContact O-CB 3.48Å; I265-F268 PolarHBondContact O-N 3.19Å; I265-V269 WeakPolarHBondContact O-CG2 3.24Å; I265-V269 PolarHBondContact O-N 2.84Å; I265-V269 VanDerWaalsContact O-N 3.08Å; I265-F285 HydrophobicContact CG2-CZ 4.43Å; I265-A291 HydrophobicContact CD1-CB 4.09Å; I265-A291 HydrophobicContact CG2-CB 3.72Å; I265-L293 HydrophobicContact CG2-CD2 3.87Å; I265-F311 HydrophobicContact CG1-CE1 4.22Å; I265-F311 HydrophobicContact CG1-CE2 4.29Å; I265-F311 HydrophobicContact CG1-CZ 3.97Å
266M98.7Very high97Very high13 Ų1347.4 Ų47.46%0.06423%0.234CC..Hα-helixtrans-63.7-46.9173-62.8175.4176.300111L258 S262 H263 S264 F268 V269 H270 Y283 F285L258-M266 HydrophobicContact CD1-CE 3.48Å; L258-M266 VanDerWaalsContact CD1-CE 3.48Å; L258-M266 HydrophobicContact CD1-SD 4.46Å; L258-M266 HydrophobicContact CD2-CE 4.03Å; L258-M266 HydrophobicContact CG-CE 4.39Å; S262-M266 WeakPolarHBondContact O-CG 3.29Å; S262-M266 PolarHBondContact O-N 3.4Å; S262-M266 VanDerWaalsContact O-N 3.11Å; H263-M266 WeakPolarHBondContact O-CA 3.45Å; H263-M266 WeakPolarHBondContact O-CB 3.45Å; H263-M266 PolarHBondContact O-N 3.49Å; S264-M266 VanDerWaalsContact C-N 3.34Å; M266-F268 VanDerWaalsContact C-N 3.3Å; M266-F268 PolarHBondContact O-N 3.09Å; M266-V269 PolarHBondContact O-N 3.29Å; M266-V269 VanDerWaalsContact O-N 3.12Å; M266-H270 PolarHBondContact O-CD2 3.48Å; M266-H270 PolarHBondContact O-N 2.91Å; M266-Y283 HydrophobicContact CB-CD1 4.29Å; M266-Y283 HydrophobicContact CB-CE1 3.84Å; M266-Y283 HydrophobicContact CE-CD2 4.28Å; M266-Y283 HydrophobicContact CE-CE2 3.89Å; M266-Y283 HydrophobicContact CG-CD1 4.15Å; M266-Y283 HydrophobicContact CG-CD2 4.1Å; M266-Y283 HydrophobicContact CG-CE1 3.88Å; M266-Y283 HydrophobicContact CG-CE2 3.82Å; M266-Y283 HydrophobicContact CG-CG 4.25Å; M266-Y283 HydrophobicContact SD-CE2 4.13Å; M266-F285 HydrophobicContact CE-CD2 3.45Å; M266-F285 VanDerWaalsContact CE-CD2 3.45Å; M266-F285 HydrophobicContact CE-CE2 3.3Å; M266-F285 HydrophobicContact CE-CG 4.29Å; M266-F285 HydrophobicContact CE-CZ 4.03Å; M266-F285 HydrophobicContact CG-CE2 3.81Å; M266-F285 HydrophobicContact CG-CZ 4.28Å; M266-F285 HydrophobicContact SD-CE2 4.45Å
267D98.4Very high97.1Very high91 Ų9150.1 Ų50.149%0.48725%0.246SC..Hα-helixtrans-61-39.7177.9-67.3-21000111.7H263 S264 H270 S271 P361H263-D267 PolarHBondContact O-N 3.44Å; S264-D267 PolarHBondContact O-N 2.88Å; D267-H270 PolarHBondContact O-N 2.8Å; D267-S271 VanDerWaalsContact O-CB 3.24Å; D267-S271 WeakPolarHBondContact O-CB 3.46Å; D267-S271 PolarHBondContact O-N 2.92Å; D267-S271 PolarHBondContact O-OG 2.92Å; D267-P361 HydrophobicContact CB-CG 4.3Å
268F98.6Very high97.3Very high0 Ų055.1 Ų55.10%027%0.268CS..Hα-helixtrans-55.4-52170.8169.7-88.5000111.5S264 I265 M266 H270 S271 I272 L307 C310 F311 L360 P361S264-F268 WeakPolarHBondContact O-CB 3.29Å; S264-F268 PolarHBondContact O-N 3.38Å; I265-F268 WeakPolarHBondContact O-CB 3.48Å; I265-F268 PolarHBondContact O-N 3.19Å; M266-F268 VanDerWaalsContact C-N 3.3Å; M266-F268 PolarHBondContact O-N 3.09Å; F268-H270 PolarHBondContact O-N 3.48Å; F268-S271 PolarHBondContact O-N 3.08Å; F268-I272 HydrophobicContact CD1-CG1 4.34Å; F268-I272 HydrophobicContact CD2-CG1 4.41Å; F268-I272 HydrophobicContact CE1-CG1 4.01Å; F268-I272 HydrophobicContact CE2-CD1 4.35Å; F268-I272 HydrophobicContact CE2-CG1 4.11Å; F268-I272 HydrophobicContact CZ-CD1 4.26Å; F268-I272 HydrophobicContact CZ-CG1 3.88Å; F268-I272 WeakPolarHBondContact O-CB 2.89Å; F268-I272 VanDerWaalsContact O-CG1 3.26Å; F268-I272 WeakPolarHBondContact O-CG1 3.46Å; F268-I272 PolarHBondContact O-N 3.1Å; F268-L307 HydrophobicContact CD1-CD2 4.12Å; F268-L307 HydrophobicContact CE1-CD2 3.66Å; F268-L307 HydrophobicContact CE1-CG 3.98Å; F268-L307 HydrophobicContact CE2-CD2 4.3Å; F268-L307 HydrophobicContact CZ-CD2 3.77Å; F268-L307 HydrophobicContact CZ-CG 3.78Å; F268-C310 HydrophobicContact CD2-CB 4.13Å; F268-C310 HydrophobicContact CE2-CB 4.3Å; F268-F311 HydrophobicContact CB-CE2 3.95Å; F268-F311 HydrophobicContact CB-CZ 4Å; F268-F311 AromaticContact CD2-CE2 3.79Å; F268-F311 HydrophobicContact CD2-CE2 3.79Å; F268-F311 HydrophobicContact CE2-CE2 4.44Å; F268-F311 AromaticContact CG-CE2 3.86Å; F268-F311 HydrophobicContact CG-CE2 3.86Å; F268-F311 HydrophobicContact CG-CZ 4.42Å; F268-L360 HydrophobicContact CD2-CD2 3.84Å; F268-L360 HydrophobicContact CE2-CD1 4.42Å; F268-L360 HydrophobicContact CE2-CD2 4.32Å; F268-L360 HydrophobicContact CG-CD2 4.48Å; F268-P361 HydrophobicContact CB-CG 4.25Å
269V98.7Very high97.5Very high0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-61.9-46.2-178.8164.80000111.7M238 I265 M266 S271 I272 N273 V281 Y283 L293M238-V269 HydrophobicContact SD-CG1 3.72Å; I265-V269 WeakPolarHBondContact O-CG2 3.24Å; I265-V269 PolarHBondContact O-N 2.84Å; I265-V269 VanDerWaalsContact O-N 3.08Å; M266-V269 PolarHBondContact O-N 3.29Å; M266-V269 VanDerWaalsContact O-N 3.12Å; V269-S271 VanDerWaalsContact C-N 3.34Å; V269-S271 PolarHBondContact O-N 3.49Å; V269-I272 PolarHBondContact O-N 3.31Å; V269-N273 WeakPolarHBondContact O-CB 3.41Å; V269-N273 VanDerWaalsContact O-CG 3.3Å; V269-N273 PolarHBondContact O-N 3.08Å; V269-N273 PolarHBondContact O-ND2 2.8Å; V269-V281 HydrophobicContact CB-CG1 4.33Å; V269-V281 HydrophobicContact CG1-CG1 4.07Å; V269-V281 WeakPolarHBondContact CG1-O 3.36Å; V269-V281 HydrophobicContact CG2-CG1 4.12Å; V269-V281 HydrophobicContact CG2-CG2 4.1Å; V269-Y283 HydrophobicContact CB-CD1 3.76Å; V269-Y283 HydrophobicContact CB-CE1 4.4Å; V269-Y283 HydrophobicContact CG1-CD1 3.67Å; V269-Y283 HydrophobicContact CG1-CE1 4.23Å; V269-Y283 HydrophobicContact CG2-CD1 4.04Å; V269-L293 HydrophobicContact CG2-CD2 3.79Å
270H98.6Very high97.6Very high74 Ų7453.4 Ų53.434%0.34326%0.259SS..Hα-helixtrans-62.6-42178.2-75.8-64.7000111.7M266 D267 F268 N273 N274 Y283M266-H270 PolarHBondContact O-CD2 3.48Å; M266-H270 PolarHBondContact O-N 2.91Å; D267-H270 PolarHBondContact O-N 2.8Å; F268-H270 PolarHBondContact O-N 3.48Å; H270-N273 PolarHBondContact O-N 2.83Å; H270-N274 VanDerWaalsContact O-CB 3.26Å; H270-N274 WeakPolarHBondContact O-CB 3.49Å; H270-N274 PolarHBondContact O-N 3.2Å; H270-N274 PolarHBondContact O-ND2 2.65Å; H270-Y283 AromaticContact CD2-CE1 3.99Å; H270-Y283 AromaticContact NE2-CE1 3.53Å; H270-Y283 AromaticContact NE2-CZ 3.84Å; H270-Y283 PolarHBondContact NE2-OH 2.68Å
271S98.2Very high97.8Very high23 Ų2345.3 Ų45.316%0.16122%0.221CC..Hα-helixtrans-65.2-42.9179-60.50000112.2D267 F268 V269 Y275D267-S271 VanDerWaalsContact O-CB 3.24Å; D267-S271 WeakPolarHBondContact O-CB 3.46Å; D267-S271 PolarHBondContact O-N 2.92Å; D267-S271 PolarHBondContact O-OG 2.92Å; F268-S271 PolarHBondContact O-N 3.08Å; V269-S271 VanDerWaalsContact C-N 3.34Å; V269-S271 PolarHBondContact O-N 3.49Å; S271-Y275 WeakPolarHBondContact O-CB 3.43Å; S271-Y275 PolarHBondContact O-N 2.99Å
272I97.6Very high97.9Very high1 Ų144 Ų441%0.00521%0.214CC..Hα-helixtrans-61.3-50.8174.8-70-70.1000110.7F268 V269 N274 Y275 F276 V280 V281 Y306 L356 L360F268-I272 HydrophobicContact CD1-CG1 4.34Å; F268-I272 HydrophobicContact CD2-CG1 4.41Å; F268-I272 HydrophobicContact CE1-CG1 4.01Å; F268-I272 HydrophobicContact CE2-CD1 4.35Å; F268-I272 HydrophobicContact CE2-CG1 4.11Å; F268-I272 HydrophobicContact CZ-CD1 4.26Å; F268-I272 HydrophobicContact CZ-CG1 3.88Å; F268-I272 WeakPolarHBondContact O-CB 2.89Å; F268-I272 VanDerWaalsContact O-CG1 3.26Å; F268-I272 WeakPolarHBondContact O-CG1 3.46Å; F268-I272 PolarHBondContact O-N 3.1Å; V269-I272 PolarHBondContact O-N 3.31Å; I272-N274 PolarHBondContact O-N 3.31Å; I272-Y275 PolarHBondContact O-N 3.39Å; I272-F276 HydrophobicContact CG2-CD2 3.85Å; I272-F276 HydrophobicContact CG2-CE2 3.97Å; I272-F276 WeakPolarHBondContact O-CD2 3.23Å; I272-F276 PolarHBondContact O-N 2.82Å; I272-V280 HydrophobicContact CG2-CG2 3.54Å; I272-V281 HydrophobicContact CB-CG1 4.19Å; I272-V281 HydrophobicContact CG2-CG1 3.77Å; I272-Y306 HydrophobicContact CD1-CD2 4.06Å; I272-Y306 HydrophobicContact CD1-CG 4.07Å; I272-L356 HydrophobicContact CD1-CD1 4.21Å; I272-L356 HydrophobicContact CD1-CD2 3.86Å; I272-L356 HydrophobicContact CD1-CG 4.38Å; I272-L360 HydrophobicContact CD1-CD1 4.07Å; I272-L360 HydrophobicContact CD1-CD2 4.05Å; I272-L360 HydrophobicContact CG1-CD2 3.97Å
273N98.3Very high98Very high5 Ų544.2 Ų44.23%0.02722%0.215CC..Hα-helixtrans-63.8-40.3-178.6-70.4-19.9000112.4V269 H270 F276 M277 K278 N279 V280 V281V269-N273 WeakPolarHBondContact O-CB 3.41Å; V269-N273 VanDerWaalsContact O-CG 3.3Å; V269-N273 PolarHBondContact O-N 3.08Å; V269-N273 PolarHBondContact O-ND2 2.8Å; H270-N273 PolarHBondContact O-N 2.83Å; N273-F276 PolarHBondContact O-N 2.9Å; N273-M277 PolarHBondContact O-N 2.86Å; N273-K278 WeakPolarHBondContact CA-O 3.1Å; N273-K278 PolarHBondContact O-N 2.9Å; N273-N279 PolarHBondContact ND2-OD1 3.11Å; N273-V280 PolarHBondContact OD1-N 3.07Å; N273-V281 PolarHBondContact ND2-O 3.4Å; N273-V281 PolarHBondContact OD1-N 3.27Å; N273-V281 VanDerWaalsContact OD1-N 3.1Å; N273-V281 PolarHBondContact OD1-O 3.32Å
274N97.7Very high98Very high111 Ų11139.8 Ų39.859%0.59420%0.195SC*.Hα-helixtrans-63.1-44.3175.8-74.2-22.2000111.5H270 I272 F276 M277H270-N274 VanDerWaalsContact O-CB 3.26Å; H270-N274 WeakPolarHBondContact O-CB 3.49Å; H270-N274 PolarHBondContact O-N 3.2Å; H270-N274 PolarHBondContact O-ND2 2.65Å; I272-N274 PolarHBondContact O-N 3.31Å; N274-F276 VanDerWaalsContact C-N 3.35Å; N274-F276 PolarHBondContact O-N 2.92Å; N274-M277 PolarHBondContact O-N 3.44Å; N274-M277 VanDerWaalsContact O-N 3.15Å
275Y96.5Very high97.9Very high94 Ų9438.9 Ų38.937%0.36919%0.188SC..Hα-helixtrans-61.3-42.8178175.2-86.4000112S271 I272 M277 D353 L356S271-Y275 WeakPolarHBondContact O-CB 3.43Å; S271-Y275 PolarHBondContact O-N 2.99Å; I272-Y275 PolarHBondContact O-N 3.39Å; Y275-M277 VanDerWaalsContact C-N 3.27Å; Y275-M277 PolarHBondContact O-N 3.39Å; Y275-D353 PolarHBondContact OH-OD2 2.96Å; Y275-L356 HydrophobicContact CD1-CD1 4.44Å; Y275-L356 HydrophobicContact CD1-CD2 3.81Å; Y275-L356 HydrophobicContact CD2-CB 3.97Å; Y275-L356 HydrophobicContact CD2-CD1 4.05Å; Y275-L356 HydrophobicContact CD2-CD2 4.45Å; Y275-L356 HydrophobicContact CD2-CG 4.38Å; Y275-L356 HydrophobicContact CE1-CD2 4.09Å; Y275-L356 HydrophobicContact CE2-CB 3.95Å; Y275-L356 HydrophobicContact CG-CB 4.37Å; Y275-L356 HydrophobicContact CG-CD1 3.83Å; Y275-L356 HydrophobicContact CG-CD2 4.03Å; Y275-L356 HydrophobicContact CG-CG 4.3Å
276F95.2Very high97.7Very high72 Ų7240.2 Ų40.232%0.31620%0.196SC..THydrogen-bonded Turntrans-81.3-2.1177.3-70.2-65.5000114.3I272 N273 N274 K278 V280 V302I272-F276 HydrophobicContact CG2-CD2 3.85Å; I272-F276 HydrophobicContact CG2-CE2 3.97Å; I272-F276 WeakPolarHBondContact O-CD2 3.23Å; I272-F276 PolarHBondContact O-N 2.82Å; N273-F276 PolarHBondContact O-N 2.9Å; N274-F276 VanDerWaalsContact C-N 3.35Å; N274-F276 PolarHBondContact O-N 2.92Å; F276-K278 HydrophobicContact CB-CG 4.33Å; F276-K278 PolarHBondContact O-N 3.47Å; F276-K278 VanDerWaalsContact O-N 3.07Å; F276-V280 HydrophobicContact CB-CG1 4.22Å; F276-V280 HydrophobicContact CD2-CG2 3.8Å; F276-V280 HydrophobicContact CE2-CG2 4.49Å; F276-V280 HydrophobicContact CG-CG1 4.49Å; F276-V280 HydrophobicContact CG-CG2 4.47Å; F276-V302 HydrophobicContact CE2-CG1 4.07Å; F276-V302 HydrophobicContact CZ-CG1 3.79Å
277M97Very high97.4Very high168 Ų16839.9 Ų39.983%0.82820%0.195SC*.THydrogen-bonded Turntrans53.225.5-177.2-60.7-64.8-61.300113.8N273 N274 Y275N273-M277 PolarHBondContact O-N 2.86Å; N274-M277 PolarHBondContact O-N 3.44Å; N274-M277 VanDerWaalsContact O-N 3.15Å; Y275-M277 VanDerWaalsContact C-N 3.27Å; Y275-M277 PolarHBondContact O-N 3.39Å
278K97.4Very high97Very high117 Ų11735.8 Ų35.851%0.50917%0.174SC..SBendtrans-160153.9177.470.8-176.2178.6170.60109.6N273 F276 V280N273-K278 WeakPolarHBondContact CA-O 3.1Å; N273-K278 PolarHBondContact O-N 2.9Å; F276-K278 HydrophobicContact CB-CG 4.33Å; F276-K278 PolarHBondContact O-N 3.47Å; F276-K278 VanDerWaalsContact O-N 3.07Å; K278-V280 HydrophobicContact CD-CG1 4.13Å; K278-V280 VanDerWaalsContact CE-CG1 3.46Å; K278-V280 HydrophobicContact CG-CG1 3.68Å; K278-V280 PolarHBondContact O-N 2.95Å; K278-V280 VanDerWaalsContact O-N 3.13Å
279N98.5Very high96.8Very high40 Ų4036.6 Ų36.621%0.21418%0.179CC..  trans-70.7109.3173-70.1-26.3000109.2F230 S231 A234 N273F230-N279 VanDerWaalsContact CD1-O 3.23Å; F230-N279 WeakPolarHBondContact CD1-O 3.13Å; F230-N279 WeakPolarHBondContact CE1-O 3.35Å; S231-N279 PolarHBondContact O-ND2 2.99Å; A234-N279 HydrophobicContact CB-CB 3.73Å; N273-N279 PolarHBondContact ND2-OD1 3.11Å
280V98.1Very high96.6Very high5 Ų536.8 Ų36.83%0.0318%0.18CC..  trans-108.8-19173.4-630000112.5F230 I272 N273 F276 K278 T295 N299F230-V280 VanDerWaalsContact CE1-C 3.42Å; I272-V280 HydrophobicContact CG2-CG2 3.54Å; N273-V280 PolarHBondContact OD1-N 3.07Å; F276-V280 HydrophobicContact CB-CG1 4.22Å; F276-V280 HydrophobicContact CD2-CG2 3.8Å; F276-V280 HydrophobicContact CE2-CG2 4.49Å; F276-V280 HydrophobicContact CG-CG1 4.49Å; F276-V280 HydrophobicContact CG-CG2 4.47Å; K278-V280 HydrophobicContact CD-CG1 4.13Å; K278-V280 VanDerWaalsContact CE-CG1 3.46Å; K278-V280 HydrophobicContact CG-CG1 3.68Å; K278-V280 PolarHBondContact O-N 2.95Å; K278-V280 VanDerWaalsContact O-N 3.13Å; V280-T295 WeakPolarHBondContact O-CB 3.4Å; V280-T295 PolarHBondContact O-OG1 2.97Å; V280-N299 HydrophobicContact CB-CB 4.39Å
281V98.8Very high96.5Very high0 Ų033.2 Ų33.20%016%0.164CC..EExtended strand (participates in β ladder)trans-140.8141.7174.958.70000109.1V269 I272 N273 L293 L294 V303V269-V281 HydrophobicContact CB-CG1 4.33Å; V269-V281 HydrophobicContact CG1-CG1 4.07Å; V269-V281 WeakPolarHBondContact CG1-O 3.36Å; V269-V281 HydrophobicContact CG2-CG1 4.12Å; V269-V281 HydrophobicContact CG2-CG2 4.1Å; I272-V281 HydrophobicContact CB-CG1 4.19Å; I272-V281 HydrophobicContact CG2-CG1 3.77Å; N273-V281 PolarHBondContact ND2-O 3.4Å; N273-V281 PolarHBondContact OD1-N 3.27Å; N273-V281 VanDerWaalsContact OD1-N 3.1Å; N273-V281 PolarHBondContact OD1-O 3.32Å; V281-L293 HydrophobicContact CG2-CB 4.09Å; V281-L294 CarbonylContact C-O 3.55Å; V281-L294 VanDerWaalsContact CA-O 3.3Å; V281-L294 WeakPolarHBondContact CA-O 3.46Å; V281-V303 HydrophobicContact CB-CG2 4.08Å; V281-V303 HydrophobicContact CG2-CG1 4.22Å
282A98.9Very high96.4Very high0 Ų032.3 Ų32.30%016%0.157CC..EExtended strand (participates in β ladder)trans-121.7154.8173.500000108.7F230 A234 M238 L293 L294F230-A282 HydrophobicContact CZ-CB 4.39Å; A234-A282 HydrophobicContact CB-CB 3.55Å; M238-A282 HydrophobicContact CG-CB 4.11Å; M238-A282 HydrophobicContact SD-CB 4.39Å; A282-L293 CarbonylContact O-C 3.49Å; A282-L293 WeakPolarHBondContact O-CA 3.28Å; A282-L294 HydrophobicContact CB-CB 4.28Å; A282-L294 PolarHBondContact N-O 3.44Å; A282-L294 PolarHBondContact O-N 3.34Å
283Y98.8Very high96.5Very high3 Ų332.3 Ų32.31%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-112.2152.5167.262.3-99.3000111M238 N242 M266 V269 H270 F285 F292M238-Y283 HydrophobicContact CB-CE1 4.37Å; M238-Y283 HydrophobicContact CB-CE2 4.23Å; M238-Y283 HydrophobicContact CG-CD1 3.9Å; M238-Y283 HydrophobicContact CG-CD2 4.22Å; M238-Y283 HydrophobicContact CG-CE1 3.9Å; M238-Y283 HydrophobicContact CG-CE2 4.21Å; M238-Y283 HydrophobicContact CG-CG 4.07Å; M238-Y283 WeakPolarHBondContact CG-O 3.36Å; M238-Y283 HydrophobicContact SD-CD1 3.69Å; M238-Y283 HydrophobicContact SD-CE1 3.58Å; M238-Y283 VanDerWaalsContact SD-CE1 3.58Å; M238-Y283 HydrophobicContact SD-CG 4.42Å; N242-Y283 VanDerWaalsContact CG-OH 3.32Å; N242-Y283 PolarHBondContact ND2-OH 2.93Å; N242-Y283 VanDerWaalsContact OD1-CE2 3.25Å; N242-Y283 WeakPolarHBondContact OD1-CE2 3.37Å; N242-Y283 PolarHBondContact OD1-OH 3.4Å; M266-Y283 HydrophobicContact CB-CD1 4.29Å; M266-Y283 HydrophobicContact CB-CE1 3.84Å; M266-Y283 HydrophobicContact CE-CD2 4.28Å; M266-Y283 HydrophobicContact CE-CE2 3.89Å; M266-Y283 HydrophobicContact CG-CD1 4.15Å; M266-Y283 HydrophobicContact CG-CD2 4.1Å; M266-Y283 HydrophobicContact CG-CE1 3.88Å; M266-Y283 HydrophobicContact CG-CE2 3.82Å; M266-Y283 HydrophobicContact CG-CG 4.25Å; M266-Y283 HydrophobicContact SD-CE2 4.13Å; V269-Y283 HydrophobicContact CB-CD1 3.76Å; V269-Y283 HydrophobicContact CB-CE1 4.4Å; V269-Y283 HydrophobicContact CG1-CD1 3.67Å; V269-Y283 HydrophobicContact CG1-CE1 4.23Å; V269-Y283 HydrophobicContact CG2-CD1 4.04Å; H270-Y283 AromaticContact CD2-CE1 3.99Å; H270-Y283 AromaticContact NE2-CE1 3.53Å; H270-Y283 AromaticContact NE2-CZ 3.84Å; H270-Y283 PolarHBondContact NE2-OH 2.68Å; Y283-F285 AromaticContact CD2-CD2 3.73Å; Y283-F285 HydrophobicContact CD2-CD2 3.73Å; Y283-F285 AromaticContact CD2-CE2 3.55Å; Y283-F285 HydrophobicContact CD2-CE2 3.55Å; Y283-F285 HydrophobicContact CE2-CD2 4.42Å; Y283-F285 HydrophobicContact CE2-CE2 4.31Å; Y283-F285 HydrophobicContact CG-CD2 4.48Å; Y283-F285 AromaticContact CG-CE2 3.94Å; Y283-F285 HydrophobicContact CG-CE2 3.94Å; Y283-F292 CarbonylContact C-O 3.54Å; Y283-F292 WeakPolarHBondContact CA-O 3.34Å
284T98.3Very high96.5Very high0 Ų032.1 Ų32.10%016%0.155CC..EExtended strand (participates in β ladder)trans-142.3145.8159.2-160.40000109.9I11 A12 K15 T237 F292 L294I11-T284 HydrophobicContact CD1-CG2 4.47Å; A12-T284 PolarHBondContact O-OG1 3.49Å; K15-T284 VanDerWaalsContact CE-OG1 3.25Å; K15-T284 WeakPolarHBondContact CE-OG1 3.28Å; K15-T284 PolarHBondContact NZ-OG1 3.23Å; T237-T284 HydrophobicContact CG2-CG2 4.35Å; T284-F292 HydrophobicContact CG2-CB 3.79Å; T284-F292 PolarHBondContact N-O 3.4Å; T284-F292 PolarHBondContact O-N 2.88Å; T284-L294 HydrophobicContact CG2-CD1 3.97Å
285F96.3Very high96.6Very high0 Ų026.8 Ų26.80%013%0.127CC..  trans-124.3137.5176.8-65.8-99.3000107.6K15 S241 H245 L258 I265 M266 Y283 N290 A291K15-F285 WeakPolarHBondContact CE-O 3.3Å; K15-F285 PolarHBondContact NZ-O 2.6Å; S241-F285 PolarHBondContact OG-N 3.39Å; H245-F285 WeakPolarHBondContact NE2-CB 3.43Å; L258-F285 HydrophobicContact CD2-CB 3.95Å; L258-F285 HydrophobicContact CD2-CD1 3.67Å; L258-F285 HydrophobicContact CD2-CD2 4.32Å; L258-F285 HydrophobicContact CD2-CE1 4.2Å; L258-F285 HydrophobicContact CD2-CG 3.74Å; I265-F285 HydrophobicContact CG2-CZ 4.43Å; M266-F285 HydrophobicContact CE-CD2 3.45Å; M266-F285 VanDerWaalsContact CE-CD2 3.45Å; M266-F285 HydrophobicContact CE-CE2 3.3Å; M266-F285 HydrophobicContact CE-CG 4.29Å; M266-F285 HydrophobicContact CE-CZ 4.03Å; M266-F285 HydrophobicContact CG-CE2 3.81Å; M266-F285 HydrophobicContact CG-CZ 4.28Å; M266-F285 HydrophobicContact SD-CE2 4.45Å; Y283-F285 AromaticContact CD2-CD2 3.73Å; Y283-F285 HydrophobicContact CD2-CD2 3.73Å; Y283-F285 AromaticContact CD2-CE2 3.55Å; Y283-F285 HydrophobicContact CD2-CE2 3.55Å; Y283-F285 HydrophobicContact CE2-CD2 4.42Å; Y283-F285 HydrophobicContact CE2-CE2 4.31Å; Y283-F285 HydrophobicContact CG-CD2 4.48Å; Y283-F285 AromaticContact CG-CE2 3.94Å; Y283-F285 HydrophobicContact CG-CE2 3.94Å; F285-N290 WeakPolarHBondContact CD1-O 3.27Å; F285-A291 HydrophobicContact CD1-CB 4.2Å; F285-A291 VanDerWaalsContact CE1-CA 3.47Å; F285-A291 HydrophobicContact CE1-CB 3.41Å; F285-A291 VanDerWaalsContact CE1-CB 3.41Å; F285-A291 HydrophobicContact CE2-CB 4.14Å; F285-A291 HydrophobicContact CZ-CB 3.38Å
286D93.5Very high96.6Very high28 Ų2823.9 Ų23.915%0.1512%0.117CC..  trans-89.3-157165.8-72.9-18.4000108.5K15 H245 G288K15-D286 IonicContact NZ-OD1 3.97Å; K15-D286 PolarHBondContact NZ-OD1 2.83Å; H245-D286 PolarHBondContact CE1-O 3.19Å; H245-D286 PolarHBondContact NE2-O 3.36Å; D286-G288 PolarHBondContact O-N 2.7Å
287A91.7Very high96.7Very high6 Ų622.5 Ų22.55%0.0512%0.116CC..SBendtrans-74.157177.400000112.5W17 K188 S192 Y257W17-A287 HydrophobicContact CH2-CB 4.06Å; W17-A287 HydrophobicContact CZ3-CB 3.78Å; K188-A287 WeakPolarHBondContact CD-O 3.21Å; K188-A287 WeakPolarHBondContact CE-O 3.31Å; K188-A287 PolarHBondContact NZ-O 2.78Å; S192-A287 WeakPolarHBondContact OG-CB 3.23Å; Y257-A287 HydrophobicContact CD1-CB 4.34Å; Y257-A287 WeakPolarHBondContact CD1-O 3.47Å; Y257-A287 HydrophobicContact CD2-CB 3.99Å; Y257-A287 HydrophobicContact CE1-CB 4.11Å; Y257-A287 HydrophobicContact CE2-CB 3.73Å; Y257-A287 HydrophobicContact CG-CB 4.29Å
288G91.1Very high96.6Very high4 Ų419.6 Ų19.64%0.04110%0.101CC..SBendtrans-171.8172.7179.300000112.7D286 N290D286-G288 PolarHBondContact O-N 2.7Å; G288-N290 PolarHBondContact O-N 3.37Å
289P93.3Very high96.6Very high17 Ų1715.3 Ų15.311%0.118%0.083CC..SBendtrans-86.6-2-172.135.3-38.8000114.4T183 N184 S262T183-P289 PolarHBondContact OG1-O 3.48Å; T183-P289 VanDerWaalsContact OG1-O 3.05Å; N184-P289 HydrophobicContact CB-CG 3.69Å; S262-P289 WeakPolarHBondContact OG-CA 3.47Å; S262-P289 PolarHBondContact OG-O 3.04Å
290N94.4Very high96.4Very high4 Ų413.6 Ų13.62%0.0217%0.074CC..  trans-83.9125.5-179.5-64.3-62.2000109.7A106 L108 C181 V182 T183 N184 F285 G288A106-N290 WeakPolarHBondContact CB-ND2 3.38Å; A106-N290 PolarHBondContact O-ND2 3.39Å; L108-N290 HydrophobicContact CD2-CB 3.96Å; C181-N290 WeakPolarHBondContact O-CA 3.09Å; C181-N290 WeakPolarHBondContact O-CB 3.12Å; C181-N290 PolarHBondContact O-OD1 2.71Å; V182-N290 WeakPolarHBondContact CA-OD1 3.42Å; T183-N290 PolarHBondContact N-OD1 3.2Å; T183-N290 PolarHBondContact OG1-OD1 3.23Å; N184-N290 PolarHBondContact N-OD1 3.06Å; N184-N290 PolarHBondContact O-ND2 2.73Å; N184-N290 PolarHBondContact O-OD1 3.41Å; F285-N290 WeakPolarHBondContact CD1-O 3.27Å; G288-N290 PolarHBondContact O-N 3.37Å
291A96.6Very high96.1Very high0 Ų014.8 Ų14.80%08%0.083CC..EExtended strand (participates in β ladder)trans-84.5137.3-179.800000110.4C181 I265 F285 L293C181-A291 HydrophobicContact CB-CB 4.01Å; C181-A291 PolarHBondContact N-O 3.02Å; C181-A291 PolarHBondContact O-N 2.56Å; I265-A291 HydrophobicContact CD1-CB 4.09Å; I265-A291 HydrophobicContact CG2-CB 3.72Å; F285-A291 HydrophobicContact CD1-CB 4.2Å; F285-A291 VanDerWaalsContact CE1-CA 3.47Å; F285-A291 HydrophobicContact CE1-CB 3.41Å; F285-A291 VanDerWaalsContact CE1-CB 3.41Å; F285-A291 HydrophobicContact CE2-CB 4.14Å; F285-A291 HydrophobicContact CZ-CB 3.38Å; A291-L293 HydrophobicContact CB-CD2 4.26Å
292F97.5Very high95.8Very high4 Ų416.6 Ų16.62%0.0189%0.093CC..EExtended strand (participates in β ladder)trans-103.1110.3163.7-59.5-92.7000107I11 L108 V178 I180 Y283 T284I11-F292 HydrophobicContact CB-CD1 4.44Å; I11-F292 HydrophobicContact CD1-CB 4.33Å; I11-F292 HydrophobicContact CG2-CD1 3.39Å; I11-F292 HydrophobicContact CG2-CD2 4.46Å; I11-F292 HydrophobicContact CG2-CE1 3.46Å; I11-F292 VanDerWaalsContact CG2-CE1 3.46Å; I11-F292 HydrophobicContact CG2-CG 3.92Å; I11-F292 HydrophobicContact CG2-CZ 4.06Å; L108-F292 HydrophobicContact CD2-CE1 4.02Å; L108-F292 HydrophobicContact CD2-CE2 4.46Å; L108-F292 HydrophobicContact CD2-CZ 3.63Å; V178-F292 HydrophobicContact CG1-CB 4.38Å; V178-F292 HydrophobicContact CG1-CD1 4.35Å; I180-F292 HydrophobicContact CB-CD1 4.43Å; I180-F292 HydrophobicContact CD1-CD1 4.24Å; I180-F292 HydrophobicContact CD1-CE1 3.98Å; I180-F292 HydrophobicContact CG1-CD1 3.81Å; I180-F292 HydrophobicContact CG1-CE1 4Å; I180-F292 HydrophobicContact CG2-CD1 4.15Å; I180-F292 HydrophobicContact CG2-CE1 3.92Å; Y283-F292 CarbonylContact C-O 3.54Å; Y283-F292 WeakPolarHBondContact CA-O 3.34Å; T284-F292 HydrophobicContact CG2-CB 3.79Å; T284-F292 PolarHBondContact N-O 3.4Å; T284-F292 PolarHBondContact O-N 2.88Å
293L98.7Very high95.6Very high0 Ų016.7 Ų16.70%09%0.094CC..EExtended strand (participates in β ladder)trans-92.6124.8176.3-55.2-178.4000109.2V178 L179 I265 V269 V281 A282 A291 L307V178-L293 CarbonylContact C-O 3.52Å; V178-L293 VanDerWaalsContact CA-O 3.27Å; V178-L293 WeakPolarHBondContact CA-O 3.12Å; L179-L293 HydrophobicContact CB-CB 4.22Å; L179-L293 PolarHBondContact N-O 2.78Å; L179-L293 PolarHBondContact O-N 2.89Å; I265-L293 HydrophobicContact CG2-CD2 3.87Å; V269-L293 HydrophobicContact CG2-CD2 3.79Å; V281-L293 HydrophobicContact CG2-CB 4.09Å; A282-L293 CarbonylContact O-C 3.49Å; A282-L293 WeakPolarHBondContact O-CA 3.28Å; A291-L293 HydrophobicContact CB-CD2 4.26Å; L293-L307 HydrophobicContact CD1-CD1 3.83Å; L293-L307 HydrophobicContact CD1-CD2 3.93Å; L293-L307 HydrophobicContact CD1-CG 4.44Å
294L98.7Very high95.4Very high1 Ų116.5 Ų16.51%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-97.9137.8172.2-65.782.7000108.2I11 L13 R177 V178 F230 T237 V281 A282 T284I11-L294 HydrophobicContact CD1-CD1 4.2Å; I11-L294 HydrophobicContact CD1-CG 4.45Å; L13-L294 HydrophobicContact CD2-CD2 3.67Å; R177-L294 WeakPolarHBondContact O-CA 3.37Å; V178-L294 HydrophobicContact CG2-CG 4.49Å; F230-L294 HydrophobicContact CE2-CB 4.23Å; F230-L294 WeakPolarHBondContact CZ-O 3.28Å; T237-L294 HydrophobicContact CG2-CD1 4.39Å; V281-L294 CarbonylContact C-O 3.55Å; V281-L294 VanDerWaalsContact CA-O 3.3Å; V281-L294 WeakPolarHBondContact CA-O 3.46Å; A282-L294 HydrophobicContact CB-CB 4.28Å; A282-L294 PolarHBondContact N-O 3.44Å; A282-L294 PolarHBondContact O-N 3.34Å; T284-L294 HydrophobicContact CG2-CD1 3.97Å
295T98.5Very high95.1Very high0 Ų017 Ų170%010%0.095CC..EExtended strand (participates in β ladder)trans-154.1172.8173.6-1690000108.7R177 V280 N299 I300R177-T295 HydrophobicContact CB-CG2 4.25Å; R177-T295 PolarHBondContact N-O 3.26Å; R177-T295 PolarHBondContact O-N 3.01Å; V280-T295 WeakPolarHBondContact O-CB 3.4Å; V280-T295 PolarHBondContact O-OG1 2.97Å; T295-N299 WeakPolarHBondContact OG1-CB 3.24Å; T295-I300 HydrophobicContact CG2-CB 4.3Å; T295-I300 HydrophobicContact CG2-CD1 4.27Å; T295-I300 HydrophobicContact CG2-CG1 4.28Å
296E98.1Very high95Very high32 Ų3217.5 Ų17.515%0.1510%0.097CC..EExtended strand (participates in β ladder)trans-100.9151.4170.6-58.6-171.2106.200110.3W173 E175 F230 Q298 N299 I300W173-E296 PolarHBondContact NE1-OE1 3.29Å; W173-E296 VanDerWaalsContact NE1-OE1 3.11Å; E175-E296 CarbonylContact O-C 3.57Å; E175-E296 WeakPolarHBondContact O-CA 3.33Å; F230-E296 HydrophobicContact CB-CG 4Å; F230-E296 HydrophobicContact CD2-CG 3.69Å; F230-E296 HydrophobicContact CE2-CG 4.39Å; F230-E296 HydrophobicContact CG-CG 3.82Å; E296-Q298 VanDerWaalsContact CB-CD 3.48Å; E296-Q298 PolarHBondContact O-N 2.92Å; E296-Q298 VanDerWaalsContact O-N 3.07Å; E296-Q298 PolarHBondContact OE2-NE2 3.42Å; E296-N299 PolarHBondContact O-N 3.34Å; E296-I300 PolarHBondContact O-N 2.95Å
297S96.7Very high95.1Very high44 Ų4416.1 Ų16.131%0.3089%0.09SC..G310 helixtrans-53.1-32.5-173.462.20000113.9E175 N299 I300E175-S297 PolarHBondContact O-N 3.47Å; S297-N299 VanDerWaalsContact C-N 3.28Å; S297-N299 PolarHBondContact O-N 3.46Å; S297-I300 WeakPolarHBondContact O-CG2 3.42Å; S297-I300 PolarHBondContact O-N 3.23Å
298Q95.3Very high95.2Very high107 Ų10715.9 Ų15.950%0.59%0.088SC..G310 helixtrans-69.4-20.7176.670.3-82.617.100114.2E296E296-Q298 VanDerWaalsContact CB-CD 3.48Å; E296-Q298 PolarHBondContact O-N 2.92Å; E296-Q298 VanDerWaalsContact O-N 3.07Å; E296-Q298 PolarHBondContact OE2-NE2 3.42Å
299N95.9Very high95.3Very high27 Ų2717.4 Ų17.414%0.1449%0.094CC..G310 helixtrans-100.2-10.6-179.7-59.9-43.7000112.6V280 T295 E296 S297 S301 V302 V303V280-N299 HydrophobicContact CB-CB 4.39Å; T295-N299 WeakPolarHBondContact OG1-CB 3.24Å; E296-N299 PolarHBondContact O-N 3.34Å; S297-N299 VanDerWaalsContact C-N 3.28Å; S297-N299 PolarHBondContact O-N 3.46Å; N299-S301 PolarHBondContact O-N 3.01Å; N299-V302 PolarHBondContact O-N 3.05Å; N299-V303 WeakPolarHBondContact O-CG2 3.38Å; N299-V303 PolarHBondContact O-N 3.48Å
300I94.6Very high95.4Very high4 Ų416.7 Ų16.72%0.0219%0.089CC..Hα-helixtrans-64.7-37.2-167.9-162.2149.1000113.7R177 L179 T295 E296 S297 V302 V303 L304 Y345R177-I300 HydrophobicContact CB-CD1 3.72Å; R177-I300 HydrophobicContact CG-CD1 3.86Å; L179-I300 HydrophobicContact CD1-CG1 4.38Å; L179-I300 HydrophobicContact CD2-CD1 4.04Å; L179-I300 HydrophobicContact CD2-CG1 4.46Å; L179-I300 HydrophobicContact CG-CD1 4.4Å; T295-I300 HydrophobicContact CG2-CB 4.3Å; T295-I300 HydrophobicContact CG2-CD1 4.27Å; T295-I300 HydrophobicContact CG2-CG1 4.28Å; E296-I300 PolarHBondContact O-N 2.95Å; S297-I300 WeakPolarHBondContact O-CG2 3.42Å; S297-I300 PolarHBondContact O-N 3.23Å; I300-V302 VanDerWaalsContact C-N 3.32Å; I300-V302 PolarHBondContact O-N 3.31Å; I300-V303 PolarHBondContact O-N 3.13Å; I300-L304 HydrophobicContact CG1-CD1 3.93Å; I300-L304 HydrophobicContact CG1-CG 4.15Å; I300-L304 VanDerWaalsContact O-CB 3.27Å; I300-L304 WeakPolarHBondContact O-CB 3.28Å; I300-L304 VanDerWaalsContact O-CG 3.29Å; I300-L304 WeakPolarHBondContact O-CG 3.28Å; I300-L304 PolarHBondContact O-N 3.44Å; I300-Y345 HydrophobicContact CB-CE1 4.46Å; I300-Y345 HydrophobicContact CD1-CD1 4.36Å; I300-Y345 HydrophobicContact CD1-CD2 4.18Å; I300-Y345 HydrophobicContact CD1-CE1 3.71Å; I300-Y345 HydrophobicContact CD1-CE2 3.54Å; I300-Y345 VanDerWaalsContact CD1-OH 3.32Å; I300-Y345 WeakPolarHBondContact CD1-OH 3.44Å; I300-Y345 HydrophobicContact CG1-CD1 4.46Å; I300-Y345 HydrophobicContact CG1-CD2 4.29Å; I300-Y345 HydrophobicContact CG1-CE1 4.28Å; I300-Y345 HydrophobicContact CG1-CE2 4.14Å; I300-Y345 HydrophobicContact CG1-CG 4.45Å; I300-Y345 HydrophobicContact CG2-CD1 3.38Å; I300-Y345 HydrophobicContact CG2-CE1 3.61Å; I300-Y345 HydrophobicContact CG2-CG 3.87Å
301S92.3Very high95.5Very high30 Ų3016.5 Ų16.521%0.219%0.088CC..Hα-helixtrans-63.6-40.1179.458.40000111.2N299 K305N299-S301 PolarHBondContact O-N 3.01Å; S301-K305 VanDerWaalsContact O-CB 3.25Å; S301-K305 WeakPolarHBondContact O-CB 3.37Å; S301-K305 PolarHBondContact O-N 3.11Å; S301-K305 VanDerWaalsContact O-N 3.09Å
302V92.7Very high95.4Very high37 Ų3716.5 Ų16.522%0.2249%0.088CC..Hα-helixtrans-68.5-48.7175.61780000110.5F276 N299 I300 L304 K305 Y306F276-V302 HydrophobicContact CE2-CG1 4.07Å; F276-V302 HydrophobicContact CZ-CG1 3.79Å; N299-V302 PolarHBondContact O-N 3.05Å; I300-V302 VanDerWaalsContact C-N 3.32Å; I300-V302 PolarHBondContact O-N 3.31Å; V302-L304 PolarHBondContact O-N 3.43Å; V302-K305 PolarHBondContact O-N 2.88Å; V302-Y306 HydrophobicContact CG1-CD2 3.99Å; V302-Y306 HydrophobicContact CG1-CE2 3.93Å; V302-Y306 VanDerWaalsContact O-CD2 3.27Å; V302-Y306 WeakPolarHBondContact O-CD2 3.4Å; V302-Y306 PolarHBondContact O-N 3.32Å
303V95.3Very high95.1Very high2 Ų218.4 Ų18.41%0.01210%0.096CC..Hα-helixtrans-60.5-46.8179.5173.70000111.1L179 V281 N299 I300 K305 Y306 L307L179-V303 HydrophobicContact CD1-CG1 4.07Å; V281-V303 HydrophobicContact CB-CG2 4.08Å; V281-V303 HydrophobicContact CG2-CG1 4.22Å; N299-V303 WeakPolarHBondContact O-CG2 3.38Å; N299-V303 PolarHBondContact O-N 3.48Å; I300-V303 PolarHBondContact O-N 3.13Å; V303-K305 PolarHBondContact O-N 2.91Å; V303-Y306 PolarHBondContact O-N 3.45Å; V303-L307 HydrophobicContact CG1-CD1 3.91Å; V303-L307 HydrophobicContact CG1-CG 4.33Å; V303-L307 WeakPolarHBondContact O-CG 3.13Å; V303-L307 PolarHBondContact O-N 3Å
304L94.1Very high94.5Very high0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-61.3-43.8178.1-77.6173.8000112.1L179 I300 V302 Y306 L307 V308 I329 I340 Y345 L347 L370L179-L304 HydrophobicContact CD1-CD2 3.75Å; L179-L304 HydrophobicContact CD1-CG 4.11Å; L179-L304 HydrophobicContact CD2-CD2 4Å; I300-L304 HydrophobicContact CG1-CD1 3.93Å; I300-L304 HydrophobicContact CG1-CG 4.15Å; I300-L304 VanDerWaalsContact O-CB 3.27Å; I300-L304 WeakPolarHBondContact O-CB 3.28Å; I300-L304 VanDerWaalsContact O-CG 3.29Å; I300-L304 WeakPolarHBondContact O-CG 3.28Å; I300-L304 PolarHBondContact O-N 3.44Å; V302-L304 PolarHBondContact O-N 3.43Å; L304-Y306 VanDerWaalsContact C-N 3.32Å; L304-Y306 PolarHBondContact O-N 2.84Å; L304-L307 PolarHBondContact O-N 2.95Å; L304-V308 VanDerWaalsContact O-CG2 3.29Å; L304-V308 WeakPolarHBondContact O-CG2 3.28Å; L304-V308 PolarHBondContact O-N 3.33Å; L304-I329 HydrophobicContact CD1-CD1 4.45Å; L304-I340 HydrophobicContact CD1-CD1 4.29Å; L304-I340 HydrophobicContact CD2-CD1 4.02Å; L304-Y345 HydrophobicContact CD1-CD2 3.68Å; L304-Y345 HydrophobicContact CD1-CE2 4.45Å; L304-Y345 HydrophobicContact CD1-CG 4.19Å; L304-L347 HydrophobicContact CB-CD2 3.77Å; L304-L370 HydrophobicContact CD2-CD1 3.54Å
305K92.1Very high93.5Very high9 Ų921.9 Ų21.94%0.03912%0.117CC..Hα-helixtrans-56.5-45.9178.3169.2178.2166.4-1670111.9S301 V302 V303 E309 C331 L347 E350 P351 L352S301-K305 VanDerWaalsContact O-CB 3.25Å; S301-K305 WeakPolarHBondContact O-CB 3.37Å; S301-K305 PolarHBondContact O-N 3.11Å; S301-K305 VanDerWaalsContact O-N 3.09Å; V302-K305 PolarHBondContact O-N 2.88Å; V303-K305 PolarHBondContact O-N 2.91Å; K305-E309 PolarHBondContact O-N 3.27Å; K305-C331 PolarHBondContact O-SG 3.4Å; K305-C331 VanDerWaalsContact O-SG 3.38Å; K305-L347 HydrophobicContact CB-CD2 4.36Å; K305-E350 WeakPolarHBondContact CE-O 3.33Å; K305-E350 PolarHBondContact NZ-O 3.15Å; K305-P351 VanDerWaalsContact NZ-C 3.26Å; K305-P351 PolarHBondContact NZ-O 2.67Å; K305-L352 HydrophobicContact CD-CD2 4.15Å; K305-L352 VanDerWaalsContact CE-CD2 3.4Å; K305-L352 HydrophobicContact CG-CD2 3.66Å; K305-L352 HydrophobicContact CG-CG 4.5Å
306Y94.9Very high92.1Very high11 Ų1130.9 Ų30.94%0.04316%0.159CC..Hα-helixtrans-75.4-31.7177.4-73-73.5000112.8I272 V302 V303 L304 V308 E309 C310 L352 D353 L356 L357 L360I272-Y306 HydrophobicContact CD1-CD2 4.06Å; I272-Y306 HydrophobicContact CD1-CG 4.07Å; V302-Y306 HydrophobicContact CG1-CD2 3.99Å; V302-Y306 HydrophobicContact CG1-CE2 3.93Å; V302-Y306 VanDerWaalsContact O-CD2 3.27Å; V302-Y306 WeakPolarHBondContact O-CD2 3.4Å; V302-Y306 PolarHBondContact O-N 3.32Å; V303-Y306 PolarHBondContact O-N 3.45Å; L304-Y306 VanDerWaalsContact C-N 3.32Å; L304-Y306 PolarHBondContact O-N 2.84Å; Y306-V308 VanDerWaalsContact C-N 3.35Å; Y306-V308 PolarHBondContact O-N 3.15Å; Y306-E309 PolarHBondContact O-N 3.37Å; Y306-C310 VanDerWaalsContact O-CB 3.27Å; Y306-C310 WeakPolarHBondContact O-CB 3.4Å; Y306-C310 PolarHBondContact O-N 3.42Å; Y306-C310 PolarHBondContact O-SG 2.75Å; Y306-L352 HydrophobicContact CD1-CD2 3.93Å; Y306-L352 HydrophobicContact CE1-CD2 3.74Å; Y306-D353 WeakPolarHBondContact OH-CB 3.48Å; Y306-D353 PolarHBondContact OH-N 2.89Å; Y306-D353 VanDerWaalsContact OH-N 3.12Å; Y306-L356 HydrophobicContact CD1-CD2 4.34Å; Y306-L356 HydrophobicContact CD1-CG 4.43Å; Y306-L356 HydrophobicContact CD2-CD2 4.2Å; Y306-L356 HydrophobicContact CE1-CB 4.33Å; Y306-L356 HydrophobicContact CE1-CD2 3.76Å; Y306-L356 HydrophobicContact CE1-CG 3.89Å; Y306-L356 HydrophobicContact CE2-CD2 3.63Å; Y306-L357 HydrophobicContact CD1-CD2 3.9Å; Y306-L357 HydrophobicContact CE1-CD2 3.89Å; Y306-L357 HydrophobicContact CE1-CG 4.27Å; Y306-L360 HydrophobicContact CD1-CD1 3.47Å; Y306-L360 VanDerWaalsContact CD1-CD1 3.47Å; Y306-L360 HydrophobicContact CE1-CD1 4.12Å; Y306-L360 HydrophobicContact CG-CD1 4.04Å
307L95.5Very high90.4Very high0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-61.6-42.9171.6-76.6171.6000112L179 F268 L293 V303 L304 E309 C310 F311 L338 I367 L370L179-L307 HydrophobicContact CD1-CD1 3.87Å; F268-L307 HydrophobicContact CD1-CD2 4.12Å; F268-L307 HydrophobicContact CE1-CD2 3.66Å; F268-L307 HydrophobicContact CE1-CG 3.98Å; F268-L307 HydrophobicContact CE2-CD2 4.3Å; F268-L307 HydrophobicContact CZ-CD2 3.77Å; F268-L307 HydrophobicContact CZ-CG 3.78Å; L293-L307 HydrophobicContact CD1-CD1 3.83Å; L293-L307 HydrophobicContact CD1-CD2 3.93Å; L293-L307 HydrophobicContact CD1-CG 4.44Å; V303-L307 HydrophobicContact CG1-CD1 3.91Å; V303-L307 HydrophobicContact CG1-CG 4.33Å; V303-L307 WeakPolarHBondContact O-CG 3.13Å; V303-L307 PolarHBondContact O-N 3Å; L304-L307 PolarHBondContact O-N 2.95Å; L307-E309 VanDerWaalsContact C-N 3.34Å; L307-C310 PolarHBondContact O-N 3.33Å; L307-F311 HydrophobicContact CD2-CD2 3.85Å; L307-F311 HydrophobicContact CD2-CE2 4.07Å; L307-F311 PolarHBondContact O-N 3.42Å; L307-L338 HydrophobicContact CB-CD1 4.18Å; L307-I367 HydrophobicContact CD2-CD1 4.15Å; L307-L370 HydrophobicContact CD1-CD1 4.27Å
308V93.3Very high88.5Confident1 Ų133.5 Ų33.51%0.00618%0.181CC..Hα-helixtrans-59.2-47.4175.3172.20000110.3L304 Y306 G312 I329 K336 L338L304-V308 VanDerWaalsContact O-CG2 3.29Å; L304-V308 WeakPolarHBondContact O-CG2 3.28Å; L304-V308 PolarHBondContact O-N 3.33Å; Y306-V308 VanDerWaalsContact C-N 3.35Å; Y306-V308 PolarHBondContact O-N 3.15Å; V308-G312 WeakPolarHBondContact O-CA 3.37Å; V308-G312 PolarHBondContact O-N 3.4Å; V308-I329 HydrophobicContact CG2-CG2 3.99Å; V308-K336 HydrophobicContact CG1-CB 4.21Å; V308-K336 WeakPolarHBondContact CG1-O 3.23Å; V308-L338 HydrophobicContact CB-CD1 4.33Å; V308-L338 HydrophobicContact CB-CG 4.48Å; V308-L338 HydrophobicContact CG2-CB 3.96Å; V308-L338 HydrophobicContact CG2-CD1 3.92Å; V308-L338 HydrophobicContact CG2-CG 4.09Å
309E93Very high86.6Confident35 Ų3533.3 Ų33.316%0.16419%0.192CC..Hα-helixtrans-68.9-38.3-178.6-169.454-135.700112.5K305 Y306 L307 S334 K336 L352 L357K305-E309 PolarHBondContact O-N 3.27Å; Y306-E309 PolarHBondContact O-N 3.37Å; L307-E309 VanDerWaalsContact C-N 3.34Å; E309-S334 WeakPolarHBondContact OE2-CB 3.26Å; E309-S334 PolarHBondContact OE2-OG 2.89Å; E309-K336 WeakPolarHBondContact O-CD 3.35Å; E309-K336 WeakPolarHBondContact O-CE 3.3Å; E309-K336 PolarHBondContact O-NZ 3.34Å; E309-K336 IonicContact OE1-NZ 3.78Å; E309-L352 HydrophobicContact CB-CD1 4.4Å; E309-L352 HydrophobicContact CB-CD2 4.29Å; E309-L352 HydrophobicContact CG-CD1 4.01Å; E309-L352 HydrophobicContact CG-CD2 4.49Å; E309-L357 HydrophobicContact CB-CD2 4.28Å; E309-L357 HydrophobicContact CG-CD1 4.49Å; E309-L357 HydrophobicContact CG-CD2 3.61Å
310C95.4Very high84.4Confident2 Ų237.9 Ų37.91%0.01421%0.211CC..Hα-helixtrans-78-39.3-177.8-690000113.1F268 Y306 L307 L360 P361 I363F268-C310 HydrophobicContact CD2-CB 4.13Å; F268-C310 HydrophobicContact CE2-CB 4.3Å; Y306-C310 VanDerWaalsContact O-CB 3.27Å; Y306-C310 WeakPolarHBondContact O-CB 3.4Å; Y306-C310 PolarHBondContact O-N 3.42Å; Y306-C310 PolarHBondContact O-SG 2.75Å; L307-C310 PolarHBondContact O-N 3.33Å; C310-L360 VanDerWaalsContact SG-CB 3.59Å; C310-P361 WeakPolarHBondContact CA-O 3.39Å; C310-P361 VanDerWaalsContact CB-O 3.24Å; C310-P361 WeakPolarHBondContact CB-O 3.23Å; C310-P361 PolarHBondContact SG-O 2.92Å; C310-I363 CarbonylContact O-C 3.6Å; C310-I363 PolarHBondContact O-N 3.05Å
311F96.2Very high82.3Confident0 Ų041.7 Ų41.70%023%0.234CC..Hα-helixtrans-128.2-1.6-165.7-55.4-73.4000115L261 I265 F268 L307 P361 I363 G365 G366 I367L261-F311 HydrophobicContact CD1-CD1 3.83Å; L261-F311 HydrophobicContact CD1-CE1 3.91Å; I265-F311 HydrophobicContact CG1-CE1 4.22Å; I265-F311 HydrophobicContact CG1-CE2 4.29Å; I265-F311 HydrophobicContact CG1-CZ 3.97Å; F268-F311 HydrophobicContact CB-CE2 3.95Å; F268-F311 HydrophobicContact CB-CZ 4Å; F268-F311 AromaticContact CD2-CE2 3.79Å; F268-F311 HydrophobicContact CD2-CE2 3.79Å; F268-F311 HydrophobicContact CE2-CE2 4.44Å; F268-F311 AromaticContact CG-CE2 3.86Å; F268-F311 HydrophobicContact CG-CE2 3.86Å; F268-F311 HydrophobicContact CG-CZ 4.42Å; L307-F311 HydrophobicContact CD2-CD2 3.85Å; L307-F311 HydrophobicContact CD2-CE2 4.07Å; L307-F311 PolarHBondContact O-N 3.42Å; F311-P361 HydrophobicContact CE1-CB 4.35Å; F311-P361 HydrophobicContact CZ-CB 4.21Å; F311-P361 HydrophobicContact CZ-CG 4.38Å; F311-I363 WeakPolarHBondContact CA-O 3.38Å; F311-I363 HydrophobicContact CD1-CB 4.16Å; F311-I363 HydrophobicContact CE1-CB 4.42Å; F311-I363 HydrophobicContact CE1-CD1 4.36Å; F311-G365 PolarHBondContact O-N 3.35Å; F311-G366 PolarHBondContact O-N 3.22Å; F311-I367 HydrophobicContact CB-CB 4.09Å; F311-I367 HydrophobicContact CB-CD1 3.62Å; F311-I367 HydrophobicContact CB-CG1 3.67Å; F311-I367 HydrophobicContact CD2-CD1 3.92Å; F311-I367 HydrophobicContact CG-CD1 3.88Å; F311-I367 HydrophobicContact CG-CG1 4.15Å; F311-I367 PolarHBondContact O-N 3.07Å
312G93.8Very high80.2Confident0 Ų047.1 Ų47.10%026%0.261CS..PPolyproline II helixtrans-71.6162.1179.900000114.7V308 Y337 S364 G365V308-G312 WeakPolarHBondContact O-CA 3.37Å; V308-G312 PolarHBondContact O-N 3.4Å; G312-Y337 CarbonylContact C-O 3.53Å; G312-Y337 WeakPolarHBondContact CA-O 3.39Å; G312-S364 CarbonylContact O-C 3.47Å; G312-S364 VanDerWaalsContact O-CA 3.32Å; G312-S364 WeakPolarHBondContact O-CA 3.47Å; G312-G365 PolarHBondContact O-N 3.2Å
313Y91.3Very high78.5Confident44 Ų4449 Ų4917%0.17327%0.27CS..EExtended strand (participates in β ladder)trans-77.2150.8173-68.3-74.2000110.9D318 K336 Y337 I367 R368Y313-D318 WeakPolarHBondContact CA-OD2 3.23Å; Y313-D318 WeakPolarHBondContact CB-OD2 3.24Å; Y313-D318 HydrophobicContact CD1-CB 3.84Å; Y313-D318 WeakPolarHBondContact CD1-OD2 3.07Å; Y313-D318 HydrophobicContact CG-CB 4.34Å; Y313-K336 CarbonylContact O-C 3.54Å; Y313-K336 WeakPolarHBondContact O-CA 3.5Å; Y313-Y337 VanDerWaalsContact CB-CE1 3.43Å; Y313-Y337 VanDerWaalsContact CB-CZ 3.45Å; Y313-Y337 HydrophobicContact CD2-CE2 4.23Å; Y313-Y337 HydrophobicContact CG-CE2 4.46Å; Y313-Y337 PolarHBondContact N-O 3.49Å; Y313-Y337 WeakPolarHBondContact O-CD1 3.49Å; Y313-Y337 PolarHBondContact O-N 3.03Å; Y313-I367 WeakPolarHBondContact CE2-O 3.3Å; Y313-R368 WeakPolarHBondContact OH-CA 3.34Å
314T86.6Confident76.7Confident23 Ų2353.5 Ų53.514%0.14131%0.307CS..EExtended strand (participates in β ladder)trans-94.2128.3175.6-53.70000109.9E316 A317 D318 N335T314-E316 PolarHBondContact O-N 3.02Å; T314-A317 HydrophobicContact CG2-CB 4.42Å; T314-A317 PolarHBondContact O-N 2.92Å; T314-A317 VanDerWaalsContact O-N 3.16Å; T314-D318 PolarHBondContact N-OD2 2.85Å; T314-D318 PolarHBondContact O-N 2.95Å; T314-N335 HydrophobicContact CG2-CB 4.47Å
315V77.2Confident75Confident52 Ų5260.1 Ų60.132%0.31534%0.343SS..THydrogen-bonded Turntrans-52.5-27.5-172.51710000114.3F320 N335 Y337V315-F320 HydrophobicContact CG1-CE2 4.48Å; V315-N335 WeakPolarHBondContact CG2-O 3.23Å; V315-N335 PolarHBondContact N-O 2.95Å; V315-Y337 HydrophobicContact CG2-CD1 3.69Å; V315-Y337 HydrophobicContact CG2-CE1 4.26Å
316E69.5Low73.8Confident189 Ų18962 Ų6288%0.88335%0.351SS*.THydrogen-bonded Turntrans-107.1-18.8-177.3-64.4179.5178.400114.6T314T314-E316 PolarHBondContact O-N 3.02Å
317A61.6Low72.9Confident78 Ų7865.8 Ų65.865%0.64537%0.371SS*.THydrogen-bonded Turntrans-91.5-29.1-177.600000112.4T314T314-A317 HydrophobicContact CG2-CB 4.42Å; T314-A317 PolarHBondContact O-N 2.92Å; T314-A317 VanDerWaalsContact O-N 3.16Å
318D58.2Low72Confident52 Ų5268.7 Ų68.728%0.27839%0.389SS..SBendtrans-110.3120.6-170.4-62.1-55.5000110.4Y313 T314 F320Y313-D318 WeakPolarHBondContact CA-OD2 3.23Å; Y313-D318 WeakPolarHBondContact CB-OD2 3.24Å; Y313-D318 HydrophobicContact CD1-CB 3.84Å; Y313-D318 WeakPolarHBondContact CD1-OD2 3.07Å; Y313-D318 HydrophobicContact CG-CB 4.34Å; T314-D318 PolarHBondContact N-OD2 2.85Å; T314-D318 PolarHBondContact O-N 2.95Å; D318-F320 PolarHBondContact O-N 3.21Å; D318-F320 VanDerWaalsContact O-N 3.14Å
319S54.2Low71.2Confident104 Ų10469.4 Ų69.473%0.72739%0.392SS*.  trans-49.3122.5175.950.80000110.6V321S319-V321 PolarHBondContact O-N 3.28Å
320F50Low70.3Confident122 Ų12273 Ų7354%0.53541%0.407SS..  trans-64.491.2-179.3-126.6-91.2000109.7V315 D318 N322 Y337V315-F320 HydrophobicContact CG1-CE2 4.48Å; D318-F320 PolarHBondContact O-N 3.21Å; D318-F320 VanDerWaalsContact O-N 3.14Å; F320-N322 VanDerWaalsContact C-N 3.31Å; F320-N322 PolarHBondContact O-N 3.36Å; F320-Y337 HydrophobicContact CE2-CE1 4.47Å
321V51.4Low69.2Low84 Ų8473.2 Ų73.251%0.50941%0.409SS..  trans-76.390.6170.3-177.20000107.3S319 N323 K339S319-V321 PolarHBondContact O-N 3.28Å; V321-N323 PolarHBondContact O-N 2.5Å; V321-K339 PolarHBondContact O-NZ 3.46Å
322N48.4Very low68Low144 Ų14478.7 Ų78.777%0.7744%0.436SS*.  trans-63.1120174.6-155.70.6000108.4F320F320-N322 VanDerWaalsContact C-N 3.31Å; F320-N322 PolarHBondContact O-N 3.36Å
323N56.4Low67.1Low76 Ų7687 Ų8741%0.40648%0.48SS..  trans-131.3104.7179-140.9-7.3000105.7V321 D325 K326V321-N323 PolarHBondContact O-N 2.5Å; N323-D325 PolarHBondContact O-N 3.12Å; N323-K326 HydrophobicContact CB-CD 4.48Å; N323-K326 HydrophobicContact CB-CG 4.31Å; N323-K326 PolarHBondContact O-N 3.05Å
324A56.7Low66.7Low97 Ų9785.4 Ų85.480%0.80248%0.475SS*.THydrogen-bonded Turntrans-57.3-26.3-164.100000113.9K326A324-K326 VanDerWaalsContact C-N 3.32Å; A324-K326 PolarHBondContact O-N 3.37Å
325D60Low66.6Low140 Ų14088.6 Ų88.675%0.74949%0.492SS*.THydrogen-bonded Turntrans-84.4-1.9-177.7-53.4-33.4000113.8N323 T341N323-D325 PolarHBondContact O-N 3.12Å; D325-T341 WeakPolarHBondContact O-CG2 3.47Å
326K65.8Low67.2Low48 Ų4886.8 Ų86.821%0.20948%0.479CS..  trans-115.6127.9-175.8-50.9-163.9176.3-1780111.4N323 A324 K339 T341 H369N323-K326 HydrophobicContact CB-CD 4.48Å; N323-K326 HydrophobicContact CB-CG 4.31Å; N323-K326 PolarHBondContact O-N 3.05Å; A324-K326 VanDerWaalsContact C-N 3.32Å; A324-K326 PolarHBondContact O-N 3.37Å; K326-K339 HydrophobicContact CB-CB 4.04Å; K326-K339 HydrophobicContact CB-CG 4.45Å; K326-K339 HydrophobicContact CD-CB 4.03Å; K326-K339 HydrophobicContact CD-CD 4.31Å; K326-T341 HydrophobicContact CB-CG2 4.18Å; K326-T341 HydrophobicContact CD-CG2 4.2Å; K326-T341 HydrophobicContact CG-CG2 3.62Å; K326-H369 HydrophobicContact CD-CB 4.21Å; K326-H369 PolarHBondContact NZ-CD2 3.11Å; K326-H369 VanDerWaalsContact NZ-CD2 3.26Å; K326-H369 PolarHBondContact NZ-CE1 3.35Å; K326-H369 VanDerWaalsContact NZ-CE1 3.29Å; K326-H369 PolarHBondContact NZ-ND1 3.46Å; K326-H369 VanDerWaalsContact NZ-ND1 3.19Å; K326-H369 PolarHBondContact NZ-NE2 3.13Å
327I75.5Confident68.2Low90 Ų9077.9 Ų77.946%0.46244%0.438SS..EExtended strand (participates in β ladder)trans-80.2132.3173.3-60.5170.6000108.1K339 I340 S344I327-K339 CarbonylContact O-C 3.6Å; I327-K339 WeakPolarHBondContact O-CA 3.43Å; I327-I340 HydrophobicContact CB-CG2 3.97Å; I327-I340 HydrophobicContact CG2-CG2 4.47Å; I327-I340 PolarHBondContact N-O 3.28Å; I327-I340 PolarHBondContact O-N 2.89Å; I327-S344 VanDerWaalsContact CD1-OG 3.24Å; I327-S344 WeakPolarHBondContact CD1-OG 3.22Å
328T77Confident69.6Low61 Ų6174.3 Ų74.337%0.37441%0.408SS..EExtended strand (participates in β ladder)trans-86.9114.7172.9-64.60000109Y337T328-Y337 HydrophobicContact CG2-CD2 3.64Å; T328-Y337 HydrophobicContact CG2-CG 3.97Å
329I77Confident71.1Confident16 Ų1672.8 Ų72.88%0.08240%0.399CS..EExtended strand (participates in β ladder)trans-92.5130.8170-66.7-178.7000108.6L304 V308 Y337 L338 I340 L347L304-I329 HydrophobicContact CD1-CD1 4.45Å; V308-I329 HydrophobicContact CG2-CG2 3.99Å; I329-Y337 CarbonylContact O-C 3.59Å; I329-Y337 WeakPolarHBondContact O-CA 3.3Å; I329-Y337 WeakPolarHBondContact O-CB 3.26Å; I329-L338 PolarHBondContact N-O 2.82Å; I329-L338 PolarHBondContact O-N 3.22Å; I329-I340 HydrophobicContact CD1-CB 3.95Å; I329-I340 HydrophobicContact CD1-CD1 3.73Å; I329-I340 HydrophobicContact CD1-CG1 4.46Å; I329-I340 HydrophobicContact CD1-CG2 3.46Å; I329-I340 VanDerWaalsContact CD1-CG2 3.46Å; I329-I340 HydrophobicContact CG1-CB 4.44Å; I329-I340 HydrophobicContact CG1-CG2 3.71Å; I329-L347 HydrophobicContact CG2-CD1 3.19Å; I329-L347 HydrophobicContact CG2-CD2 3.81Å; I329-L347 HydrophobicContact CG2-CG 3.51Å
330K75.1Confident72.9Confident111 Ų11167.9 Ų67.948%0.48337%0.365SS..EExtended strand (participates in β ladder)trans-133.3129.8176.3-178.7177-178.3-176.80109.3S334 K336 L347K330-S334 WeakPolarHBondContact CE-O 3.46Å; K330-K336 WeakPolarHBondContact CG-O 3.5Å; K330-L347 WeakPolarHBondContact O-CD1 3.23Å
331C71.4Confident75Confident6 Ų663.7 Ų63.74%0.04135%0.349CS..  trans-70.7141.3174.1-61.50000110.3K305 N333 S334 L347K305-C331 PolarHBondContact O-SG 3.4Å; K305-C331 VanDerWaalsContact O-SG 3.38Å; C331-N333 PolarHBondContact O-N 3.39Å; C331-S334 PolarHBondContact O-N 2.73Å; C331-S334 VanDerWaalsContact O-N 3.12Å; C331-L347 HydrophobicContact CB-CD1 4.41Å
332M71.6Confident76.9Confident116 Ų11661.1 Ų61.157%0.57134%0.34SS*.THydrogen-bonded Turntrans-57.1136.1170.6-77.5-155.8-70.700110.1S334 D349M332-S334 PolarHBondContact O-N 2.57Å; M332-S334 VanDerWaalsContact O-N 3.15Å; M332-D349 HydrophobicContact CE-CB 3.41Å; M332-D349 VanDerWaalsContact CE-CB 3.41Å; M332-D349 WeakPolarHBondContact CE-OD1 3.46Å
333N74.8Confident79.1Confident174 Ų17455.8 Ų55.893%0.9331%0.311SS*.THydrogen-bonded Turntrans61.711.2-176.7-51-40.7000116.1C331C331-N333 PolarHBondContact O-N 3.39Å
334S81.6Confident80.6Confident10 Ų1055.8 Ų55.87%0.0732%0.317CS..  trans-102.8146168.5-178.70000110.4E309 K330 C331 M332 K336E309-S334 WeakPolarHBondContact OE2-CB 3.26Å; E309-S334 PolarHBondContact OE2-OG 2.89Å; K330-S334 WeakPolarHBondContact CE-O 3.46Å; C331-S334 PolarHBondContact O-N 2.73Å; C331-S334 VanDerWaalsContact O-N 3.12Å; M332-S334 PolarHBondContact O-N 2.57Å; M332-S334 VanDerWaalsContact O-N 3.15Å; S334-K336 VanDerWaalsContact C-N 3.26Å; S334-K336 WeakPolarHBondContact OG-CB 3.35Å; S334-K336 PolarHBondContact OG-N 2.82Å
335N85.8Confident81.9Confident91 Ų9153.2 Ų53.249%0.48729%0.286SS..SBendtrans-88.96.5168.466.9-9.9000112.3T314 V315T314-N335 HydrophobicContact CG2-CB 4.47Å; V315-N335 WeakPolarHBondContact CG2-O 3.23Å; V315-N335 PolarHBondContact N-O 2.95Å
336K90Very high82.8Confident13 Ų1353.8 Ų53.86%0.05729%0.289CS..EExtended strand (participates in β ladder)trans-99.8149.1179.4-63.6-172.8-177-177.60113.3V308 E309 Y313 K330 S334V308-K336 HydrophobicContact CG1-CB 4.21Å; V308-K336 WeakPolarHBondContact CG1-O 3.23Å; E309-K336 WeakPolarHBondContact O-CD 3.35Å; E309-K336 WeakPolarHBondContact O-CE 3.3Å; E309-K336 PolarHBondContact O-NZ 3.34Å; E309-K336 IonicContact OE1-NZ 3.78Å; Y313-K336 CarbonylContact O-C 3.54Å; Y313-K336 WeakPolarHBondContact O-CA 3.5Å; K330-K336 WeakPolarHBondContact CG-O 3.5Å; S334-K336 VanDerWaalsContact C-N 3.26Å; S334-K336 WeakPolarHBondContact OG-CB 3.35Å; S334-K336 PolarHBondContact OG-N 2.82Å
337Y90Very high83.3Confident3 Ų353 Ų531%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-142.2153178.273.4-86.9000112.2G312 Y313 V315 F320 T328 I329G312-Y337 CarbonylContact C-O 3.53Å; G312-Y337 WeakPolarHBondContact CA-O 3.39Å; Y313-Y337 VanDerWaalsContact CB-CE1 3.43Å; Y313-Y337 VanDerWaalsContact CB-CZ 3.45Å; Y313-Y337 HydrophobicContact CD2-CE2 4.23Å; Y313-Y337 HydrophobicContact CG-CE2 4.46Å; Y313-Y337 PolarHBondContact N-O 3.49Å; Y313-Y337 WeakPolarHBondContact O-CD1 3.49Å; Y313-Y337 PolarHBondContact O-N 3.03Å; V315-Y337 HydrophobicContact CG2-CD1 3.69Å; V315-Y337 HydrophobicContact CG2-CE1 4.26Å; F320-Y337 HydrophobicContact CE2-CE1 4.47Å; T328-Y337 HydrophobicContact CG2-CD2 3.64Å; T328-Y337 HydrophobicContact CG2-CG 3.97Å; I329-Y337 CarbonylContact O-C 3.59Å; I329-Y337 WeakPolarHBondContact O-CA 3.3Å; I329-Y337 WeakPolarHBondContact O-CB 3.26Å
338L91.1Very high83.3Confident2 Ų250 Ų501%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-127.1146.6167.9-78.4173.8000110.6L307 V308 I329 I367 L370L307-L338 HydrophobicContact CB-CD1 4.18Å; V308-L338 HydrophobicContact CB-CD1 4.33Å; V308-L338 HydrophobicContact CB-CG 4.48Å; V308-L338 HydrophobicContact CG2-CB 3.96Å; V308-L338 HydrophobicContact CG2-CD1 3.92Å; V308-L338 HydrophobicContact CG2-CG 4.09Å; I329-L338 PolarHBondContact N-O 2.82Å; I329-L338 PolarHBondContact O-N 3.22Å; L338-I367 HydrophobicContact CD2-CB 3.97Å; L338-I367 HydrophobicContact CD2-CG2 4.07Å; L338-I367 WeakPolarHBondContact CD2-O 3.38Å; L338-L370 HydrophobicContact CD1-CD1 3.87Å; L338-L370 HydrophobicContact CD1-CG 4.36Å
339K90.2Very high83.2Confident20 Ų2053.2 Ų53.29%0.08729%0.289CS..EExtended strand (participates in β ladder)trans-86.5131171.2-67.6175.8-167.4169.40108.8V321 K326 I327 H369 L370V321-K339 PolarHBondContact O-NZ 3.46Å; K326-K339 HydrophobicContact CB-CB 4.04Å; K326-K339 HydrophobicContact CB-CG 4.45Å; K326-K339 HydrophobicContact CD-CB 4.03Å; K326-K339 HydrophobicContact CD-CD 4.31Å; I327-K339 CarbonylContact O-C 3.6Å; I327-K339 WeakPolarHBondContact O-CA 3.43Å; K339-H369 HydrophobicContact CB-CB 3.97Å; K339-H369 CarbonylContact O-C 3.47Å; K339-H369 VanDerWaalsContact O-CA 3.26Å; K339-H369 WeakPolarHBondContact O-CA 3.29Å; K339-H369 WeakPolarHBondContact O-CB 3.18Å; K339-L370 PolarHBondContact O-N 3.44Å
340I91.8Very high83.4Confident2 Ų258.9 Ų58.91%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-124.3147.2176.6-162.1162.6000110.6L304 I327 I329 L370L304-I340 HydrophobicContact CD1-CD1 4.29Å; L304-I340 HydrophobicContact CD2-CD1 4.02Å; I327-I340 HydrophobicContact CB-CG2 3.97Å; I327-I340 HydrophobicContact CG2-CG2 4.47Å; I327-I340 PolarHBondContact N-O 3.28Å; I327-I340 PolarHBondContact O-N 2.89Å; I329-I340 HydrophobicContact CD1-CB 3.95Å; I329-I340 HydrophobicContact CD1-CD1 3.73Å; I329-I340 HydrophobicContact CD1-CG1 4.46Å; I329-I340 HydrophobicContact CD1-CG2 3.46Å; I329-I340 VanDerWaalsContact CD1-CG2 3.46Å; I329-I340 HydrophobicContact CG1-CB 4.44Å; I329-I340 HydrophobicContact CG1-CG2 3.71Å; I340-L370 CarbonylContact C-O 3.54Å; I340-L370 VanDerWaalsContact CA-O 3.31Å; I340-L370 WeakPolarHBondContact CA-O 3.28Å; I340-L370 HydrophobicContact CB-CB 4.45Å; I340-L370 HydrophobicContact CD1-CB 4.38Å; I340-L370 HydrophobicContact CG1-CB 4.01Å
341T92.5Very high83.8Confident33 Ų3359 Ų5920%0.20233%0.327CS..EExtended strand (participates in β ladder)trans-126.2164.1165.159.70000110.3D325 K326 L370 S372D325-T341 WeakPolarHBondContact O-CG2 3.47Å; K326-T341 HydrophobicContact CB-CG2 4.18Å; K326-T341 HydrophobicContact CD-CG2 4.2Å; K326-T341 HydrophobicContact CG-CG2 3.62Å; T341-L370 PolarHBondContact N-O 3.3Å; T341-S372 PolarHBondContact O-N 3.07Å
342G93.3Very high84.5Confident31 Ų3160 Ų6032%0.3233%0.332SS..EExtended strand (participates in β ladder)trans85.3-134-17900000112.2H40 S344 S372H40-G342 VanDerWaalsContact CD2-CA 3.42Å; H40-G342 WeakPolarHBondContact CD2-CA 3.11Å; G342-S344 PolarHBondContact O-N 3.42Å; G342-S372 WeakPolarHBondContact CA-O 3.49Å
343I93.6Very high85.4Confident31 Ų3156.7 Ų56.716%0.15932%0.317CS..SBendtrans-64.2127.5-175.3-51.4174.2000109.8H40 Y345 S372 E374H40-I343 VanDerWaalsContact CE1-CG1 3.4Å; H40-I343 WeakPolarHBondContact CE1-CG1 3.16Å; I343-Y345 HydrophobicContact CB-CE2 3.79Å; I343-Y345 WeakPolarHBondContact CB-OH 3.35Å; I343-Y345 HydrophobicContact CG2-CD1 4.47Å; I343-Y345 HydrophobicContact CG2-CE1 3.72Å; I343-Y345 HydrophobicContact CG2-CE2 3.74Å; I343-Y345 VanDerWaalsContact CG2-OH 3.26Å; I343-Y345 WeakPolarHBondContact CG2-OH 3.42Å; I343-Y345 WeakPolarHBondContact O-CD2 3.27Å; I343-Y345 VanDerWaalsContact O-CE2 3.22Å; I343-Y345 WeakPolarHBondContact O-CE2 3.18Å; I343-S372 PolarHBondContact N-O 3.27Å; I343-E374 HydrophobicContact CD1-CB 3.83Å; I343-E374 HydrophobicContact CD1-CG 3.94Å
344S88.2Confident86.2Confident76 Ų7654 Ų5453%0.53130%0.299SS..  trans-90.3140.3176.1-59.80000110.1I327 G342I327-S344 VanDerWaalsContact CD1-OG 3.24Å; I327-S344 WeakPolarHBondContact CD1-OG 3.22Å; G342-S344 PolarHBondContact O-N 3.42Å
345Y84.5Confident86.7Confident43 Ų4358.5 Ų58.517%0.16932%0.322CS..  trans-132.8145.4176.1-53-88.1000109.7R177 I300 L304 I343 S372R177-Y345 WeakPolarHBondContact CD-OH 3.28Å; R177-Y345 PolarHBondContact NE-OH 3.4Å; I300-Y345 HydrophobicContact CB-CE1 4.46Å; I300-Y345 HydrophobicContact CD1-CD1 4.36Å; I300-Y345 HydrophobicContact CD1-CD2 4.18Å; I300-Y345 HydrophobicContact CD1-CE1 3.71Å; I300-Y345 HydrophobicContact CD1-CE2 3.54Å; I300-Y345 VanDerWaalsContact CD1-OH 3.32Å; I300-Y345 WeakPolarHBondContact CD1-OH 3.44Å; I300-Y345 HydrophobicContact CG1-CD1 4.46Å; I300-Y345 HydrophobicContact CG1-CD2 4.29Å; I300-Y345 HydrophobicContact CG1-CE1 4.28Å; I300-Y345 HydrophobicContact CG1-CE2 4.14Å; I300-Y345 HydrophobicContact CG1-CG 4.45Å; I300-Y345 HydrophobicContact CG2-CD1 3.38Å; I300-Y345 HydrophobicContact CG2-CE1 3.61Å; I300-Y345 HydrophobicContact CG2-CG 3.87Å; L304-Y345 HydrophobicContact CD1-CD2 3.68Å; L304-Y345 HydrophobicContact CD1-CE2 4.45Å; L304-Y345 HydrophobicContact CD1-CG 4.19Å; I343-Y345 HydrophobicContact CB-CE2 3.79Å; I343-Y345 WeakPolarHBondContact CB-OH 3.35Å; I343-Y345 HydrophobicContact CG2-CD1 4.47Å; I343-Y345 HydrophobicContact CG2-CE1 3.72Å; I343-Y345 HydrophobicContact CG2-CE2 3.74Å; I343-Y345 VanDerWaalsContact CG2-OH 3.26Å; I343-Y345 WeakPolarHBondContact CG2-OH 3.42Å; I343-Y345 WeakPolarHBondContact O-CD2 3.27Å; I343-Y345 VanDerWaalsContact O-CE2 3.22Å; I343-Y345 WeakPolarHBondContact O-CE2 3.18Å; Y345-S372 WeakPolarHBondContact CE2-OG 3.44Å; Y345-S372 PolarHBondContact OH-OG 3.48Å; Y345-S372 VanDerWaalsContact OH-OG 3.06Å
346D78.8Confident87.1Confident152 Ų15254.1 Ų54.181%0.81330%0.299SS*.PPolyproline II helixtrans-71.4133.7162.6-59.5-41.6000108.7
347L76.5Confident87.1Confident31 Ų3155.4 Ų55.416%0.16231%0.306CS..PPolyproline II helixtrans-73.9152.3171.1-75.9-175000110.1L304 K305 I329 K330 C331 D349L304-L347 HydrophobicContact CB-CD2 3.77Å; K305-L347 HydrophobicContact CB-CD2 4.36Å; I329-L347 HydrophobicContact CG2-CD1 3.19Å; I329-L347 HydrophobicContact CG2-CD2 3.81Å; I329-L347 HydrophobicContact CG2-CG 3.51Å; K330-L347 WeakPolarHBondContact O-CD1 3.23Å; C331-L347 HydrophobicContact CB-CD1 4.41Å; L347-D349 PolarHBondContact O-N 3.27Å
348S73.9Confident87.3Confident28 Ų2863 Ų6320%0.19634%0.339CS..PPolyproline II helixtrans-65.1129.8170.61710000110.4E350S348-E350 PolarHBondContact O-N 2.83Å; S348-E350 WeakPolarHBondContact OG-CB 3.32Å; S348-E350 WeakPolarHBondContact OG-CG 3.4Å; S348-E350 PolarHBondContact OG-N 3.41Å
349D75.3Confident87.4Confident128 Ų12867.4 Ų67.468%0.68436%0.362SS*.  trans-74.1-10.3175.2-69.2-24.1000113.3M332 L347M332-D349 HydrophobicContact CE-CB 3.41Å; M332-D349 VanDerWaalsContact CE-CB 3.41Å; M332-D349 WeakPolarHBondContact CE-OD1 3.46Å; L347-D349 PolarHBondContact O-N 3.27Å
350E80.9Confident87.7Confident135 Ų13567.2 Ų67.263%0.63136%0.362SS*.SBendtrans-60.8146.5178.5-65.3-178.6160.500110.3K305 S348K305-E350 WeakPolarHBondContact CE-O 3.33Å; K305-E350 PolarHBondContact NZ-O 3.15Å; S348-E350 PolarHBondContact O-N 2.83Å; S348-E350 WeakPolarHBondContact OG-CB 3.32Å; S348-E350 WeakPolarHBondContact OG-CG 3.4Å; S348-E350 PolarHBondContact OG-N 3.41Å
351P83.2Confident87.9Confident113 Ų11368.4 Ų68.473%0.73437%0.369SS*.PPolyproline II helixtrans-63153.517426.1-33.2000111.3K305 D353K305-P351 VanDerWaalsContact NZ-C 3.26Å; K305-P351 PolarHBondContact NZ-O 2.67Å; P351-D353 PolarHBondContact O-N 3.24Å
352L86.4Confident87.9Confident28 Ų2871 Ų7115%0.14739%0.389CS..PPolyproline II helixtrans-65.8125.6172.1-71.4155.9000109.5K305 Y306 E309 Q354 L357K305-L352 HydrophobicContact CD-CD2 4.15Å; K305-L352 VanDerWaalsContact CE-CD2 3.4Å; K305-L352 HydrophobicContact CG-CD2 3.66Å; K305-L352 HydrophobicContact CG-CG 4.5Å; Y306-L352 HydrophobicContact CD1-CD2 3.93Å; Y306-L352 HydrophobicContact CE1-CD2 3.74Å; E309-L352 HydrophobicContact CB-CD1 4.4Å; E309-L352 HydrophobicContact CB-CD2 4.29Å; E309-L352 HydrophobicContact CG-CD1 4.01Å; E309-L352 HydrophobicContact CG-CD2 4.49Å; L352-Q354 PolarHBondContact O-N 3.38Å; L352-Q354 VanDerWaalsContact O-N 3.16Å; L352-Q354 PolarHBondContact O-NE2 2.95Å; L352-L357 HydrophobicContact CB-CD1 3.74Å; L352-L357 HydrophobicContact CB-CG 4.3Å; L352-L357 HydrophobicContact CD1-CD1 4.2Å; L352-L357 HydrophobicContact CD2-CD2 4.28Å; L352-L357 HydrophobicContact CG-CD1 4.42Å
353D91.1Very high88Confident47 Ų4772.5 Ų72.525%0.25139%0.389SS..  trans-64.6115.8170.6-173.4-26.1000109.8Y275 Y306 P351 N355 L356 L357Y275-D353 PolarHBondContact OH-OD2 2.96Å; Y306-D353 WeakPolarHBondContact OH-CB 3.48Å; Y306-D353 PolarHBondContact OH-N 2.89Å; Y306-D353 VanDerWaalsContact OH-N 3.12Å; P351-D353 PolarHBondContact O-N 3.24Å; D353-N355 VanDerWaalsContact C-N 3.31Å; D353-N355 PolarHBondContact O-N 2.93Å; D353-N355 WeakPolarHBondContact OD1-CA 3.2Å; D353-N355 WeakPolarHBondContact OD1-CB 3.35Å; D353-N355 PolarHBondContact OD1-N 2.91Å; D353-L356 HydrophobicContact CB-CB 4.15Å; D353-L356 PolarHBondContact O-N 2.97Å; D353-L357 WeakPolarHBondContact O-CG 3Å; D353-L357 PolarHBondContact O-N 3.49Å
354Q91Very high87.8Confident116 Ų11674 Ų7454%0.54240%0.402SS..Hα-helixtrans-67.5-27.1-178.4-62-58.5-49.300113.6L352 K358L352-Q354 PolarHBondContact O-N 3.38Å; L352-Q354 VanDerWaalsContact O-N 3.16Å; L352-Q354 PolarHBondContact O-NE2 2.95Å; Q354-K358 VanDerWaalsContact O-CG 3.3Å; Q354-K358 WeakPolarHBondContact O-CG 3.25Å; Q354-K358 PolarHBondContact O-N 3.49Å
355N92.2Very high87.9Confident105 Ų10571.3 Ų71.356%0.56139%0.387SS*.Hα-helixtrans-72.2-40.2175.6-64.7-39.3000110.9D353 K358D353-N355 VanDerWaalsContact C-N 3.31Å; D353-N355 PolarHBondContact O-N 2.93Å; D353-N355 WeakPolarHBondContact OD1-CA 3.2Å; D353-N355 WeakPolarHBondContact OD1-CB 3.35Å; D353-N355 PolarHBondContact OD1-N 2.91Å; N355-K358 PolarHBondContact O-N 3.3Å
356L93.7Very high88.2Confident0 Ų069.8 Ų69.80%038%0.384CS..Hα-helixtrans-66.5-43.3173.9179.150.1000111I272 Y275 Y306 D353 K358 I359 L360I272-L356 HydrophobicContact CD1-CD1 4.21Å; I272-L356 HydrophobicContact CD1-CD2 3.86Å; I272-L356 HydrophobicContact CD1-CG 4.38Å; Y275-L356 HydrophobicContact CD1-CD1 4.44Å; Y275-L356 HydrophobicContact CD1-CD2 3.81Å; Y275-L356 HydrophobicContact CD2-CB 3.97Å; Y275-L356 HydrophobicContact CD2-CD1 4.05Å; Y275-L356 HydrophobicContact CD2-CD2 4.45Å; Y275-L356 HydrophobicContact CD2-CG 4.38Å; Y275-L356 HydrophobicContact CE1-CD2 4.09Å; Y275-L356 HydrophobicContact CE2-CB 3.95Å; Y275-L356 HydrophobicContact CG-CB 4.37Å; Y275-L356 HydrophobicContact CG-CD1 3.83Å; Y275-L356 HydrophobicContact CG-CD2 4.03Å; Y275-L356 HydrophobicContact CG-CG 4.3Å; Y306-L356 HydrophobicContact CD1-CD2 4.34Å; Y306-L356 HydrophobicContact CD1-CG 4.43Å; Y306-L356 HydrophobicContact CD2-CD2 4.2Å; Y306-L356 HydrophobicContact CE1-CB 4.33Å; Y306-L356 HydrophobicContact CE1-CD2 3.76Å; Y306-L356 HydrophobicContact CE1-CG 3.89Å; Y306-L356 HydrophobicContact CE2-CD2 3.63Å; D353-L356 HydrophobicContact CB-CB 4.15Å; D353-L356 PolarHBondContact O-N 2.97Å; L356-K358 VanDerWaalsContact C-N 3.25Å; L356-K358 PolarHBondContact O-N 3.4Å; L356-I359 HydrophobicContact CD1-CD1 3.96Å; L356-I359 HydrophobicContact CD1-CG1 4.01Å; L356-I359 WeakPolarHBondContact O-CG1 3.45Å; L356-I359 PolarHBondContact O-N 2.96Å; L356-I359 VanDerWaalsContact O-N 3.14Å; L356-L360 HydrophobicContact CD1-CD1 3.96Å; L356-L360 HydrophobicContact CD1-CD2 4.17Å; L356-L360 HydrophobicContact CD1-CG 3.91Å; L356-L360 HydrophobicContact CG-CD1 3.8Å; L356-L360 HydrophobicContact CG-CG 4.26Å; L356-L360 WeakPolarHBondContact O-CG 3.49Å; L356-L360 PolarHBondContact O-N 3.34Å
357L91.9Very high89Confident39 Ų3962.6 Ų62.620%0.20435%0.345CS..Hα-helixtrans-58.2-34.5177.6-73.8-178.5000114.1Y306 E309 L352 D353 I359 L360Y306-L357 HydrophobicContact CD1-CD2 3.9Å; Y306-L357 HydrophobicContact CE1-CD2 3.89Å; Y306-L357 HydrophobicContact CE1-CG 4.27Å; E309-L357 HydrophobicContact CB-CD2 4.28Å; E309-L357 HydrophobicContact CG-CD1 4.49Å; E309-L357 HydrophobicContact CG-CD2 3.61Å; L352-L357 HydrophobicContact CB-CD1 3.74Å; L352-L357 HydrophobicContact CB-CG 4.3Å; L352-L357 HydrophobicContact CD1-CD1 4.2Å; L352-L357 HydrophobicContact CD2-CD2 4.28Å; L352-L357 HydrophobicContact CG-CD1 4.42Å; D353-L357 WeakPolarHBondContact O-CG 3Å; D353-L357 PolarHBondContact O-N 3.49Å; L357-I359 PolarHBondContact O-N 3.45Å; L357-L360 PolarHBondContact O-N 3.35Å
358K93.3Very high89.7Confident162 Ų16267 Ų6770%0.70436%0.36SS*.Hα-helixtrans-64.5-25179.7-75.9168.4-173.2172.60113.9Q354 N355 L356Q354-K358 VanDerWaalsContact O-CG 3.3Å; Q354-K358 WeakPolarHBondContact O-CG 3.25Å; Q354-K358 PolarHBondContact O-N 3.49Å; N355-K358 PolarHBondContact O-N 3.3Å; L356-K358 VanDerWaalsContact C-N 3.25Å; L356-K358 PolarHBondContact O-N 3.4Å
359I94.2Very high90.5Very high95 Ų9566 Ų6649%0.48735%0.352SS..Hα-helixtrans-100.9-10.6-178.764.1164.6000112.7L356 L357L356-I359 HydrophobicContact CD1-CD1 3.96Å; L356-I359 HydrophobicContact CD1-CG1 4.01Å; L356-I359 WeakPolarHBondContact O-CG1 3.45Å; L356-I359 PolarHBondContact O-N 2.96Å; L356-I359 VanDerWaalsContact O-N 3.14Å; L357-I359 PolarHBondContact O-N 3.45Å
360L96.4Very high91.4Very high16 Ų1660 Ų608%0.08432%0.32CS..SBendtrans-86152-179.7-69.5174000112F268 I272 Y306 C310 L356 L357F268-L360 HydrophobicContact CD2-CD2 3.84Å; F268-L360 HydrophobicContact CE2-CD1 4.42Å; F268-L360 HydrophobicContact CE2-CD2 4.32Å; F268-L360 HydrophobicContact CG-CD2 4.48Å; I272-L360 HydrophobicContact CD1-CD1 4.07Å; I272-L360 HydrophobicContact CD1-CD2 4.05Å; I272-L360 HydrophobicContact CG1-CD2 3.97Å; Y306-L360 HydrophobicContact CD1-CD1 3.47Å; Y306-L360 VanDerWaalsContact CD1-CD1 3.47Å; Y306-L360 HydrophobicContact CE1-CD1 4.12Å; Y306-L360 HydrophobicContact CG-CD1 4.04Å; C310-L360 VanDerWaalsContact SG-CB 3.59Å; L356-L360 HydrophobicContact CD1-CD1 3.96Å; L356-L360 HydrophobicContact CD1-CD2 4.17Å; L356-L360 HydrophobicContact CD1-CG 3.91Å; L356-L360 HydrophobicContact CG-CD1 3.8Å; L356-L360 HydrophobicContact CG-CG 4.26Å; L356-L360 WeakPolarHBondContact O-CG 3.49Å; L356-L360 PolarHBondContact O-N 3.34Å; L357-L360 PolarHBondContact O-N 3.35Å
361P94.7Very high92.1Very high27 Ų2753.7 Ų53.718%0.17529%0.291CS..  trans-60.3149.9171-20.331.5000112.2S264 D267 F268 C310 F311S264-P361 WeakPolarHBondContact O-CG 3.39Å; D267-P361 HydrophobicContact CB-CG 4.3Å; F268-P361 HydrophobicContact CB-CG 4.25Å; C310-P361 WeakPolarHBondContact CA-O 3.39Å; C310-P361 VanDerWaalsContact CB-O 3.24Å; C310-P361 WeakPolarHBondContact CB-O 3.23Å; C310-P361 PolarHBondContact SG-O 2.92Å; F311-P361 HydrophobicContact CE1-CB 4.35Å; F311-P361 HydrophobicContact CZ-CB 4.21Å; F311-P361 HydrophobicContact CZ-CG 4.38Å
362S93.6Very high92.7Very high88 Ų8848.3 Ų48.362%0.61526%0.256SS*.  trans-129.796.3171.2173.90000110.1
363I93.8Very high93.2Very high63 Ų6347 Ų4732%0.32325%0.249SC..  trans-128.983.1-178.5-53.4-179.8000108.5L261 S264 C310 F311 G365 G366L261-I363 HydrophobicContact CD1-CD1 4.23Å; L261-I363 HydrophobicContact CD1-CG2 4.35Å; S264-I363 VanDerWaalsContact CB-CD1 3.47Å; S264-I363 WeakPolarHBondContact OG-CD1 3.49Å; C310-I363 CarbonylContact O-C 3.6Å; C310-I363 PolarHBondContact O-N 3.05Å; F311-I363 WeakPolarHBondContact CA-O 3.38Å; F311-I363 HydrophobicContact CD1-CB 4.16Å; F311-I363 HydrophobicContact CE1-CB 4.42Å; F311-I363 HydrophobicContact CE1-CD1 4.36Å; I363-G365 PolarHBondContact O-N 3.36Å; I363-G366 PolarHBondContact O-N 2.94Å; I363-G366 VanDerWaalsContact O-N 3.16Å
364S90.6Very high93.5Very high62 Ų6247.4 Ų47.443%0.43425%0.249SC..THydrogen-bonded Turntrans-55.9135179.6-63.20000111.7G312 G366G312-S364 CarbonylContact O-C 3.47Å; G312-S364 VanDerWaalsContact O-CA 3.32Å; G312-S364 WeakPolarHBondContact O-CA 3.47Å; S364-G366 PolarHBondContact O-N 3.4Å
365G90.1Very high93.8Very high20 Ų2042.5 Ų42.521%0.20623%0.227CC..THydrogen-bonded Turntrans68.313.2179.300000115.1F311 G312 I363F311-G365 PolarHBondContact O-N 3.35Å; G312-G365 PolarHBondContact O-N 3.2Å; I363-G365 PolarHBondContact O-N 3.36Å
366G91.3Very high94.1Very high11 Ų1137.6 Ų37.611%0.11320%0.202CC..  trans-64.3-43.3178.900000112.8L261 F311 I363 S364L261-G366 WeakPolarHBondContact CD2-O 3.38Å; F311-G366 PolarHBondContact O-N 3.22Å; I363-G366 PolarHBondContact O-N 2.94Å; I363-G366 VanDerWaalsContact O-N 3.16Å; S364-G366 PolarHBondContact O-N 3.4Å
367I94.2Very high94.2Very high0 Ų040.2 Ų40.20%022%0.22CC..  trans-93.4118.6176.6-66.2172.7000109.2C181 T183 L307 F311 Y313 L338 H369 L370C181-I367 HydrophobicContact CB-CD1 3.97Å; C181-I367 HydrophobicContact CB-CG1 4.25Å; T183-I367 HydrophobicContact CG2-CG1 4.33Å; L307-I367 HydrophobicContact CD2-CD1 4.15Å; F311-I367 HydrophobicContact CB-CB 4.09Å; F311-I367 HydrophobicContact CB-CD1 3.62Å; F311-I367 HydrophobicContact CB-CG1 3.67Å; F311-I367 HydrophobicContact CD2-CD1 3.92Å; F311-I367 HydrophobicContact CG-CD1 3.88Å; F311-I367 HydrophobicContact CG-CG1 4.15Å; F311-I367 PolarHBondContact O-N 3.07Å; Y313-I367 WeakPolarHBondContact CE2-O 3.3Å; L338-I367 HydrophobicContact CD2-CB 3.97Å; L338-I367 HydrophobicContact CD2-CG2 4.07Å; L338-I367 WeakPolarHBondContact CD2-O 3.38Å; I367-H369 WeakPolarHBondContact CG2-O 3.31Å; I367-L370 HydrophobicContact CD1-CD2 4.34Å; I367-L370 HydrophobicContact CG2-CD2 3.97Å; I367-L370 HydrophobicContact CG2-CG 4.16Å
368R91.7Very high94.4Very high124 Ų12439 Ų3947%0.46822%0.216SC..SBendtrans-66.9-43.7179-65.3179170.5-106.3-6.6112.1V182 Y313V182-R368 WeakPolarHBondContact O-CB 3.46Å; V182-R368 PolarHBondContact O-N 3.14Å; Y313-R368 WeakPolarHBondContact OH-CA 3.34Å
369H92.1Very high94.6Very high7 Ų732.5 Ų32.53%0.03219%0.191CC..EExtended strand (participates in β ladder)trans-165.2161171.159.8-73.3000110.2V182 E185 K326 K339 I367V182-H369 WeakPolarHBondContact CB-O 3.29Å; V182-H369 PolarHBondContact N-O 2.84Å; E185-H369 IonicContact OE1-CE1 3.34Å; E185-H369 PolarHBondContact OE1-CE1 3Å; K326-H369 HydrophobicContact CD-CB 4.21Å; K326-H369 PolarHBondContact NZ-CD2 3.11Å; K326-H369 VanDerWaalsContact NZ-CD2 3.26Å; K326-H369 PolarHBondContact NZ-CE1 3.35Å; K326-H369 VanDerWaalsContact NZ-CE1 3.29Å; K326-H369 PolarHBondContact NZ-ND1 3.46Å; K326-H369 VanDerWaalsContact NZ-ND1 3.19Å; K326-H369 PolarHBondContact NZ-NE2 3.13Å; K339-H369 HydrophobicContact CB-CB 3.97Å; K339-H369 CarbonylContact O-C 3.47Å; K339-H369 VanDerWaalsContact O-CA 3.26Å; K339-H369 WeakPolarHBondContact O-CA 3.29Å; K339-H369 WeakPolarHBondContact O-CB 3.18Å; I367-H369 WeakPolarHBondContact CG2-O 3.31Å
370L94.1Very high94.7Very high1 Ų132.8 Ų32.81%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-100.4144.4170.1-66.8173.6000109.7I180 C181 L304 L307 L338 K339 I340 T341 I367I180-L370 WeakPolarHBondContact O-CA 3.3Å; C181-L370 HydrophobicContact CB-CD2 4.27Å; C181-L370 VanDerWaalsContact SG-CD2 3.59Å; L304-L370 HydrophobicContact CD2-CD1 3.54Å; L307-L370 HydrophobicContact CD1-CD1 4.27Å; L338-L370 HydrophobicContact CD1-CD1 3.87Å; L338-L370 HydrophobicContact CD1-CG 4.36Å; K339-L370 PolarHBondContact O-N 3.44Å; I340-L370 CarbonylContact C-O 3.54Å; I340-L370 VanDerWaalsContact CA-O 3.31Å; I340-L370 WeakPolarHBondContact CA-O 3.28Å; I340-L370 HydrophobicContact CB-CB 4.45Å; I340-L370 HydrophobicContact CD1-CB 4.38Å; I340-L370 HydrophobicContact CG1-CB 4.01Å; T341-L370 PolarHBondContact N-O 3.3Å; I367-L370 HydrophobicContact CD1-CD2 4.34Å; I367-L370 HydrophobicContact CG2-CD2 3.97Å; I367-L370 HydrophobicContact CG2-CG 4.16Å
371I94.4Very high94.8Very high3 Ų336.1 Ų36.12%0.01521%0.208CC..EExtended strand (participates in β ladder)trans-113115.4161.1-49.4172000106.3H40 V41 F102 I180 V182H40-I371 HydrophobicContact CB-CG2 4.33Å; V41-I371 HydrophobicContact CG1-CD1 4.05Å; V41-I371 HydrophobicContact CG1-CG2 3.77Å; F102-I371 HydrophobicContact CB-CD1 4.15Å; I180-I371 HydrophobicContact CB-CB 4.08Å; I180-I371 HydrophobicContact CD1-CB 4.24Å; I180-I371 HydrophobicContact CG1-CB 4.37Å; I180-I371 PolarHBondContact N-O 2.96Å; I180-I371 PolarHBondContact O-N 2.89Å; I180-I371 VanDerWaalsContact O-N 3.07Å; V182-I371 HydrophobicContact CG2-CD1 4.24Å; V182-I371 HydrophobicContact CG2-CG1 4.37Å
372S95.9Very high94.9Very high0 Ų038.9 Ų38.90%022%0.22CC..EExtended strand (participates in β ladder)trans-92.4129.3172.2-172.50000110.8L179 T341 G342 I343 Y345L179-S372 WeakPolarHBondContact CD2-OG 3.48Å; T341-S372 PolarHBondContact O-N 3.07Å; G342-S372 WeakPolarHBondContact CA-O 3.49Å; I343-S372 PolarHBondContact N-O 3.27Å; Y345-S372 WeakPolarHBondContact CE2-OG 3.44Å; Y345-S372 PolarHBondContact OH-OG 3.48Å; Y345-S372 VanDerWaalsContact OH-OG 3.06Å
373T96.7Very high95.1Very high0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-146.7-177-180-166.10000110.7L36 H40 V41 V178 I180L36-T373 HydrophobicContact CB-CG2 4.31Å; L36-T373 HydrophobicContact CD1-CG2 4.06Å; L36-T373 HydrophobicContact CD2-CG2 4.1Å; L36-T373 HydrophobicContact CG-CG2 4.39Å; H40-T373 PolarHBondContact ND1-OG1 3.3Å; V41-T373 HydrophobicContact CG2-CG2 4.26Å; V178-T373 HydrophobicContact CB-CG2 3.91Å; V178-T373 HydrophobicContact CG1-CG2 4.38Å; V178-T373 PolarHBondContact N-O 3.31Å; V178-T373 PolarHBondContact O-N 3.12Å; I180-T373 HydrophobicContact CD1-CG2 4.45Å
374E97.5Very high95.2Very high56 Ų5637.5 Ų37.526%0.26221%0.206SC..EExtended strand (participates in β ladder)trans-145.2-178.9-175.565.6-168165.400109.2L36 N37 R177 I343 G376L36-E374 WeakPolarHBondContact CA-O 3.36Å; N37-E374 HydrophobicContact CB-CG 3.98Å; N37-E374 PolarHBondContact N-O 2.52Å; N37-E374 PolarHBondContact ND2-OE1 3.07Å; N37-E374 VanDerWaalsContact ND2-OE1 3.08Å; R177-E374 IonicContact CZ-OE2 3.66Å; R177-E374 IonicContact NH1-OE2 3.68Å; R177-E374 IonicContact NH2-OE2 3.76Å; I343-E374 HydrophobicContact CD1-CB 3.83Å; I343-E374 HydrophobicContact CD1-CG 3.94Å; E374-G376 PolarHBondContact O-N 3.46Å
375V98.2Very high95.2Very high13 Ų1339.6 Ų39.68%0.07921%0.211CC..BIsolated β-bridgetrans-65.1129.4177.1-162.20000110.2L34 T35 F151 A170 L176L34-V375 HydrophobicContact CD1-CB 4.14Å; L34-V375 HydrophobicContact CD1-CG1 3.58Å; L34-V375 HydrophobicContact CD1-CG2 3.65Å; L34-V375 HydrophobicContact CD2-CG2 4.32Å; L34-V375 HydrophobicContact CG-CG1 4.3Å; L34-V375 HydrophobicContact CG-CG2 4.32Å; T35-V375 CarbonylContact O-C 3.45Å; T35-V375 WeakPolarHBondContact O-CA 3.49Å; F151-V375 HydrophobicContact CE2-CG1 4.36Å; F151-V375 HydrophobicContact CZ-CG2 4.37Å; A170-V375 HydrophobicContact CB-CG1 4.3Å; L176-V375 HydrophobicContact CB-CG2 4.34Å; L176-V375 HydrophobicContact CD2-CG2 4.32Å
376G97.9Very high95Very high3 Ų346 Ų463%0.03124%0.236CC..  trans-112.8166.7-174.600000114.5T35 G149 G150 A170 E374T35-G376 PolarHBondContact O-N 3.39Å; G149-G376 WeakPolarHBondContact CA-O 3.3Å; G150-G376 PolarHBondContact N-O 3.38Å; A170-G376 WeakPolarHBondContact CB-O 3.47Å; E374-G376 PolarHBondContact O-N 3.46Å
377S96.8Very high95.2Very high54 Ų5447.8 Ų47.838%0.37824%0.242SC..  trans-75.6166.7169.567.50000112.1Q38 Q380Q38-S377 PolarHBondContact NE2-O 3.36Å; S377-Q380 PolarHBondContact OG-NE2 3.18Å
378G95.8Very high95.2Very high13 Ų1350.3 Ų50.313%0.13426%0.255CS..  trans-71.2-172.2171.400000113.1Q38Q38-G378 PolarHBondContact NE2-O 2.83Å
379P96.7Very high95.4Very high26 Ų2646.2 Ų46.217%0.16924%0.243CC..  trans-49.9148.6-178.7-27.436000113.8T6 C7 F120 S146 L147T6-P379 CarbonylContact O-C 3.57Å; T6-P379 VanDerWaalsContact O-CA 3.26Å; T6-P379 WeakPolarHBondContact O-CA 3.1Å; C7-P379 WeakPolarHBondContact SG-CB 3.2Å; C7-P379 VanDerWaalsContact SG-CG 3.54Å; F120-P379 HydrophobicContact CB-CB 4.5Å; F120-P379 HydrophobicContact CD1-CB 3.52Å; F120-P379 HydrophobicContact CD2-CB 4.19Å; F120-P379 HydrophobicContact CE1-CB 3.67Å; F120-P379 HydrophobicContact CE2-CB 4.31Å; F120-P379 HydrophobicContact CG-CB 3.82Å; F120-P379 HydrophobicContact CG-CG 4.41Å; F120-P379 HydrophobicContact CZ-CB 4.07Å; S146-P379 WeakPolarHBondContact O-CD 3.28Å; L147-P379 HydrophobicContact CD2-CG 4.07Å; L147-P379 WeakPolarHBondContact O-CD 3.44Å
380Q97.1Very high95.6Very high101 Ų10148.5 Ų48.547%0.47226%0.255SS..EExtended strand (participates in β ladder)trans-125134.9175.7-60-176.1-10.600110.4V5 T6 S377V5-Q380 CarbonylContact C-O 3.47Å; V5-Q380 VanDerWaalsContact CA-O 3.23Å; V5-Q380 WeakPolarHBondContact CA-O 3.35Å; V5-Q380 WeakPolarHBondContact CB-O 3.45Å; T6-Q380 PolarHBondContact N-O 2.95Å; T6-Q380 PolarHBondContact O-N 3.01Å; S377-Q380 PolarHBondContact OG-NE2 3.18Å
381L96.9Very high95.7Very high87 Ų8751.5 Ų51.546%0.45527%0.271SS..EExtended strand (participates in β ladder)trans-82.7119.4168.7-179.163.1000108.6V3 V5 F120 T124 F384V3-L381 HydrophobicContact CG1-CD1 4.13Å; V5-L381 HydrophobicContact CG1-CD1 3.88Å; F120-L381 HydrophobicContact CE1-CB 4.47Å; T124-L381 HydrophobicContact CG2-CD1 3.93Å; T124-L381 HydrophobicContact CG2-CD2 4.31Å; L381-F384 HydrophobicContact CD1-CB 4.33Å; L381-F384 HydrophobicContact CD2-CB 4.33Å
382I97.3Very high95.8Very high84 Ų8454.7 Ų54.743%0.43129%0.288SS..EExtended strand (participates in β ladder)trans-86.2-50.7176.4-65.5174.8000109.7E4 T6 K44E4-I382 HydrophobicContact CB-CB 3.97Å; E4-I382 HydrophobicContact CB-CG2 4.3Å; E4-I382 WeakPolarHBondContact O-CB 3.47Å; E4-I382 PolarHBondContact O-N 3.34Å; T6-I382 HydrophobicContact CG2-CD1 3.57Å; T6-I382 HydrophobicContact CG2-CG1 4.37Å; K44-I382 HydrophobicContact CD-CD1 4.04Å; K44-I382 HydrophobicContact CG-CD1 4.14Å
383S97.4Very high95.8Very high41 Ų4158.6 Ų58.629%0.28731%0.308SS..EExtended strand (participates in β ladder)trans-153.8150.3179.167.80000111.4V3 E4V3-S383 WeakPolarHBondContact CA-O 3.48Å; E4-S383 WeakPolarHBondContact CB-OG 3.3Å; E4-S383 PolarHBondContact N-O 2.95Å; E4-S383 PolarHBondContact O-N 2.46Å
384F95.5Very high95.7Very high81 Ų8163.2 Ų63.236%0.35533%0.332SS..EExtended strand (participates in β ladder)trans-141117.9169.9179.9-153.7000109.4L2 V3 T124 L381 H386L2-F384 WeakPolarHBondContact O-CA 3.14Å; V3-F384 HydrophobicContact CB-CD2 4.49Å; V3-F384 HydrophobicContact CG2-CD2 3.27Å; V3-F384 HydrophobicContact CG2-CE2 3.55Å; V3-F384 HydrophobicContact CG2-CG 4.05Å; T124-F384 HydrophobicContact CG2-CD1 4.07Å; T124-F384 HydrophobicContact CG2-CE1 4.38Å; T124-F384 HydrophobicContact CG2-CG 4.23Å; L381-F384 HydrophobicContact CD1-CB 4.33Å; L381-F384 HydrophobicContact CD2-CB 4.33Å; F384-H386 HydrophobicContact CZ-CB 4.39Å; F384-H386 AromaticContact CZ-ND1 3.47Å; F384-H386 WeakPolarHBondContact CZ-ND1 3.31Å
385I92.5Very high95.6Very high107 Ų10763.8 Ų63.855%0.54934%0.338SS..EExtended strand (participates in β ladder)trans-109.7113.1169.6-53.3178000106.4M1 L2M1-I385 CarbonylContact C-O 3.55Å; M1-I385 WeakPolarHBondContact CA-O 3.27Å; L2-I385 HydrophobicContact CB-CB 4.34Å; L2-I385 HydrophobicContact CD2-CD1 4.23Å; L2-I385 PolarHBondContact N-O 2.85Å; L2-I385 PolarHBondContact O-N 2.78Å
386H85.1Confident95.4Very high155 Ų15568.4 Ų68.472%0.71836%0.362SS*.  trans-68.50178.7-160.956.8000110.8M1 F384M1-H386 WeakPolarHBondContact CA-OXT 3.03Å; M1-H386 WeakPolarHBondContact CB-OXT 3.4Å; M1-H386 WeakPolarHBondContact CE-CE1 3.43Å; M1-H386 WeakPolarHBondContact CG-OXT 3.47Å; M1-H386 PolarHBondContact N-OXT 2.98Å; F384-H386 HydrophobicContact CZ-CB 4.39Å; F384-H386 AromaticContact CZ-ND1 3.47Å; F384-H386 WeakPolarHBondContact CZ-ND1 3.31Å

Retrieved 386 of 386 residues in 1065.6 ms (Link to these results)

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