A0A077Z1M9_TRITR Loading...

ATP synthase F1, delta subunit

AlphaFold DB , UniProt , Accession A0A077Z1M9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,086 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
1M64.5Low85.3Confident148 Ų14835.5 Ų35.573%0.72918%0.18SC*.  0155.20-78.5179.2-179.400107.6L261M1-L261 HydrophobicContact SD-CB 4.12Å; M1-L261 HydrophobicContact SD-CD1 4.15Å
2F77.3Confident85.7Confident57 Ų5738.5 Ų38.525%0.2519%0.194CC..EExtended strand (participates in β ladder)trans-113.1149.7179.4-53.4-58.9000108.3L261 V262 K263 W353 L362 V363 P364F2-L261 CarbonylContact O-C 3.3Å; F2-L261 WeakPolarHBondContact O-CA 3.37Å; F2-V262 HydrophobicContact CB-CG2 3.79Å; F2-V262 PolarHBondContact N-O 3.38Å; F2-V262 PolarHBondContact O-N 2.88Å; F2-K263 WeakPolarHBondContact CE2-O 3.42Å; F2-W353 HydrophobicContact CB-CZ3 4.24Å; F2-L362 CarbonylContact C-O 3.52Å; F2-L362 WeakPolarHBondContact CA-O 3.38Å; F2-L362 WeakPolarHBondContact CB-O 3.22Å; F2-V363 WeakPolarHBondContact CD1-O 3.4Å; F2-V363 WeakPolarHBondContact CE1-O 3.45Å; F2-P364 HydrophobicContact CB-CG 3.79Å; F2-P364 HydrophobicContact CD1-CB 4.4Å; F2-P364 HydrophobicContact CD1-CG 4.43Å; F2-P364 HydrophobicContact CD2-CB 3.48Å; F2-P364 VanDerWaalsContact CD2-CB 3.48Å; F2-P364 HydrophobicContact CD2-CG 3.63Å; F2-P364 HydrophobicContact CE2-CB 3.7Å; F2-P364 HydrophobicContact CE2-CG 4.36Å; F2-P364 HydrophobicContact CG-CB 3.86Å; F2-P364 HydrophobicContact CG-CG 3.66Å; F2-P364 HydrophobicContact CZ-CB 4.26Å
3E83.8Confident86Confident46 Ų4636.6 Ų36.622%0.21518%0.184CC..EExtended strand (participates in β ladder)trans-121.4124.1-172.8-170.4-174.5-159.400109.9V5 S259 L260 L261 W353 G354 K355 L362E3-V5 HydrophobicContact CG-CG2 4.4Å; E3-S259 VanDerWaalsContact CD-OG 3.22Å; E3-S259 WeakPolarHBondContact CG-OG 3.48Å; E3-S259 PolarHBondContact OE1-OG 2.99Å; E3-L260 WeakPolarHBondContact CA-O 3.46Å; E3-L261 HydrophobicContact CB-CD2 4.21Å; E3-L261 HydrophobicContact CG-CD2 4.24Å; E3-W353 CarbonylContact O-C 3.37Å; E3-W353 WeakPolarHBondContact O-CA 3.3Å; E3-W353 VanDerWaalsContact O-CE3 3.26Å; E3-G354 PolarHBondContact O-N 3.02Å; E3-G354 VanDerWaalsContact OE2-CA 3.24Å; E3-G354 WeakPolarHBondContact OE2-CA 3.43Å; E3-K355 PolarHBondContact OE2-N 3.22Å; E3-L362 HydrophobicContact CB-CB 3.89Å; E3-L362 HydrophobicContact CB-CD1 3.7Å; E3-L362 HydrophobicContact CB-CG 4.4Å; E3-L362 PolarHBondContact N-O 3.12Å
4L85.8Confident86.1Confident0 Ų036 Ų360%018%0.183CC..EExtended strand (participates in β ladder)trans-119.3113-175.8172.667000109.3I6 Y233 S259 L260 I269 P292 V351 W353L4-I6 HydrophobicContact CD2-CD1 4.26Å; L4-I6 HydrophobicContact CG-CD1 4.25Å; L4-I6 HydrophobicContact CG-CG1 4.42Å; L4-Y233 HydrophobicContact CD2-CD2 4.39Å; L4-S259 CarbonylContact O-C 3.38Å; L4-S259 WeakPolarHBondContact O-CA 3.45Å; L4-L260 HydrophobicContact CB-CB 4.35Å; L4-L260 HydrophobicContact CD2-CD1 4.46Å; L4-L260 PolarHBondContact N-O 2.93Å; L4-L260 PolarHBondContact O-N 2.63Å; L4-I269 HydrophobicContact CD1-CD1 4.35Å; L4-I269 HydrophobicContact CD2-CD1 3.72Å; L4-I269 HydrophobicContact CD2-CG1 4.29Å; L4-P292 HydrophobicContact CD1-CG 3.68Å; L4-V351 HydrophobicContact CD1-CG1 3.75Å; L4-W353 HydrophobicContact CB-CE3 4.34Å; L4-W353 HydrophobicContact CB-CZ3 4.14Å
5V87.4Confident86.3Confident11 Ų1134.5 Ų34.57%0.06718%0.175CC..EExtended strand (participates in β ladder)trans-105.3120-177.1-173.90000110.3E3 Y258 R352E3-V5 HydrophobicContact CG-CG2 4.4Å; V5-Y258 WeakPolarHBondContact CA-O 3.44Å; V5-R352 HydrophobicContact CB-CG 4.15Å; V5-R352 PolarHBondContact N-O 2.98Å; V5-R352 PolarHBondContact O-N 3.37Å; V5-R352 VanDerWaalsContact O-O 3.08Å
6I88.6Confident86.6Confident0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-115.7117.7-179.9-66.1153.8000108.4L4 L8 L231 S257 Y258 L260 I269 V351L4-I6 HydrophobicContact CD2-CD1 4.26Å; L4-I6 HydrophobicContact CG-CD1 4.25Å; L4-I6 HydrophobicContact CG-CG1 4.42Å; I6-L8 HydrophobicContact CG2-CD2 3.91Å; I6-L231 HydrophobicContact CD1-CD1 3.99Å; I6-L231 HydrophobicContact CD1-CD2 3.84Å; I6-S257 CarbonylContact O-C 3.53Å; I6-S257 WeakPolarHBondContact O-CA 3.29Å; I6-Y258 PolarHBondContact N-O 3.12Å; I6-Y258 PolarHBondContact O-N 3.19Å; I6-L260 HydrophobicContact CD1-CD1 4.3Å; I6-I269 HydrophobicContact CD1-CG2 3.82Å; I6-V351 HydrophobicContact CG1-CB 4.47Å; I6-V351 HydrophobicContact CG1-CG1 3.75Å; I6-V351 HydrophobicContact CG1-CG2 4.19Å; I6-V351 HydrophobicContact CG2-CG2 4.48Å
7T90.3Very high86.6Confident24 Ų2430.4 Ų30.415%0.14715%0.154CC..EExtended strand (participates in β ladder)trans-104.1120.2-179.8-58.30000110.1S257 L349 S350T7-S257 WeakPolarHBondContact CG2-OG 3.39Å; T7-S257 PolarHBondContact OG1-OG 3.47Å; T7-L349 CarbonylContact O-C 3.58Å; T7-L349 WeakPolarHBondContact O-CA 3.49Å; T7-L349 VanDerWaalsContact O-CB 3.29Å; T7-L349 WeakPolarHBondContact O-CB 3.42Å; T7-S350 PolarHBondContact N-O 3.34Å; T7-S350 PolarHBondContact O-N 3.47Å
8L90.6Very high86.7Confident1 Ų128.7 Ų28.71%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-98113.4176.2-52.3-175.3000109.3I6 T241 L254 G255 S256 Y258 L271 L349I6-L8 HydrophobicContact CG2-CD2 3.91Å; L8-T241 HydrophobicContact CD1-CG2 3.6Å; L8-L254 HydrophobicContact CB-CB 3.94Å; L8-L254 HydrophobicContact CB-CD1 3.83Å; L8-L254 HydrophobicContact CD1-CD1 4.41Å; L8-L254 WeakPolarHBondContact O-CB 3.41Å; L8-G255 PolarHBondContact O-N 2.8Å; L8-S256 PolarHBondContact N-O 3.25Å; L8-S256 PolarHBondContact O-N 2.85Å; L8-Y258 HydrophobicContact CD1-CD2 4.43Å; L8-Y258 HydrophobicContact CD1-CE2 4.1Å; L8-Y258 HydrophobicContact CG-CE2 4.43Å; L8-L271 HydrophobicContact CD1-CD2 4.21Å; L8-L271 HydrophobicContact CD2-CD1 3.61Å; L8-L271 HydrophobicContact CD2-CD2 4.49Å; L8-L349 HydrophobicContact CD2-CB 3.82Å; L8-L349 HydrophobicContact CD2-CD2 4.06Å
9S88.8Confident86.8Confident43 Ų4327.8 Ų27.830%0.30114%0.141SC..EExtended strand (participates in β ladder)trans-87.8-68.9-172.3-37.50000111.6L254 G255 R348S9-L254 PolarHBondContact O-N 3.43Å; S9-L254 VanDerWaalsContact O-N 3.14Å; S9-G255 PolarHBondContact O-N 3.01Å; S9-R348 PolarHBondContact N-O 3.39Å
10K89.7Confident86.9Confident61 Ų6126.6 Ų26.627%0.26514%0.135SC..EExtended strand (participates in β ladder)trans-149.7134.3-172.2-169.8-178.8-175.9-168.50110.8M12 D249 C251 V252 R348K10-M12 HydrophobicContact CD-CG 3.8Å; K10-M12 HydrophobicContact CD-SD 3.84Å; K10-M12 HydrophobicContact CG-CG 3.99Å; K10-D249 IonicContact NZ-OD2 2.69Å; K10-C251 WeakPolarHBondContact CE-SG 3.46Å; K10-C251 PolarHBondContact NZ-SG 3.48Å; K10-V252 WeakPolarHBondContact CA-O 3.42Å; K10-R348 PolarHBondContact N-O 2.89Å; K10-R348 PolarHBondContact O-N 2.8Å
11L91.8Very high86.9Confident0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans-96.9139.8163.5-170.872.9000109F13 V227 C251 V252 L254 L273 F310 L347L11-F13 HydrophobicContact CD2-CE2 3.9Å; L11-F13 HydrophobicContact CD2-CZ 4.12Å; L11-V227 HydrophobicContact CD2-CG1 3.81Å; L11-C251 WeakPolarHBondContact O-CA 3.47Å; L11-V252 HydrophobicContact CB-CB 4.14Å; L11-V252 HydrophobicContact CD2-CG2 4.4Å; L11-V252 PolarHBondContact N-O 2.7Å; L11-V252 PolarHBondContact O-N 2.92Å; L11-L254 HydrophobicContact CB-CD1 4.44Å; L11-L273 HydrophobicContact CD1-CD2 4.42Å; L11-L273 HydrophobicContact CD2-CD1 3.83Å; L11-L273 HydrophobicContact CD2-CD2 4.37Å; L11-F310 HydrophobicContact CD1-CE1 3.58Å; L11-F310 HydrophobicContact CD1-CZ 4.1Å; L11-L347 HydrophobicContact CB-CD1 4.41Å; L11-L347 HydrophobicContact CD1-CB 3.91Å; L11-L347 HydrophobicContact CD1-CD1 4.13Å
12M90.2Very high88Confident71 Ų7122.1 Ų22.135%0.3511%0.11SC..EExtended strand (participates in β ladder)trans-136.1122.3174.6-59.9-170.64700109.5K10 C251 G345 V346K10-M12 HydrophobicContact CD-CG 3.8Å; K10-M12 HydrophobicContact CD-SD 3.84Å; K10-M12 HydrophobicContact CG-CG 3.99Å; M12-C251 VanDerWaalsContact CG-SG 3.59Å; M12-G345 CarbonylContact O-C 3.58Å; M12-G345 WeakPolarHBondContact O-CA 3.2Å; M12-V346 PolarHBondContact N-O 3.21Å; M12-V346 PolarHBondContact O-N 2.92Å
13F89Confident88.6Confident14 Ų1420.1 Ų20.16%0.06110%0.102CC..EExtended strand (participates in β ladder)trans-78.6133.6172.5-69.3-91.8000110.6L11 H16 F19 V227 L246 F250 L284 F310 I343 S344L11-F13 HydrophobicContact CD2-CE2 3.9Å; L11-F13 HydrophobicContact CD2-CZ 4.12Å; F13-H16 HydrophobicContact CB-CB 3.94Å; F13-H16 HydrophobicContact CD1-CB 4.2Å; F13-H16 AromaticContact CE1-CD2 3.96Å; F13-H16 HydrophobicContact CG-CB 4.04Å; F13-F19 HydrophobicContact CB-CE1 4.48Å; F13-V227 HydrophobicContact CE2-CG2 4.48Å; F13-L246 HydrophobicContact CD2-CD1 4Å; F13-L246 HydrophobicContact CE2-CD1 3.89Å; F13-F250 HydrophobicContact CB-CB 4.27Å; F13-F250 WeakPolarHBondContact CD2-O 3.36Å; F13-F250 PolarHBondContact N-O 2.76Å; F13-L284 HydrophobicContact CE1-CD1 3.9Å; F13-L284 HydrophobicContact CZ-CD1 3.93Å; F13-F310 HydrophobicContact CD1-CE2 4.26Å; F13-F310 AromaticContact CD1-CZ 3.92Å; F13-F310 HydrophobicContact CD1-CZ 3.92Å; F13-F310 AromaticContact CE1-CE2 3.94Å; F13-F310 HydrophobicContact CE1-CE2 3.94Å; F13-F310 AromaticContact CE1-CZ 3.75Å; F13-F310 HydrophobicContact CE1-CZ 3.75Å; F13-F310 HydrophobicContact CZ-CZ 4.41Å; F13-I343 HydrophobicContact CD1-CG2 3.84Å; F13-I343 HydrophobicContact CE1-CG2 3.62Å; F13-S344 CarbonylContact C-O 3.56Å; F13-S344 VanDerWaalsContact CA-O 3.28Å; F13-S344 WeakPolarHBondContact CA-O 3.14Å; F13-S344 WeakPolarHBondContact CD1-O 3.45Å
14T88.3Confident88.8Confident28 Ų2818.5 Ų18.517%0.17210%0.095CC..EExtended strand (participates in β ladder)trans-86.4-29.3169.247.30000111.2F19 R27 S344 G345 V346T14-F19 VanDerWaalsContact O-CE2 3.26Å; T14-F19 WeakPolarHBondContact O-CE2 3.3Å; T14-R27 WeakPolarHBondContact O-CG 3.5Å; T14-S344 PolarHBondContact N-O 3.08Å; T14-S344 WeakPolarHBondContact OG1-CB 3.19Å; T14-S344 PolarHBondContact OG1-O 3.22Å; T14-S344 PolarHBondContact OG1-OG 2.66Å; T14-G345 WeakPolarHBondContact OG1-CA 3.42Å; T14-G345 PolarHBondContact OG1-N 2.89Å; T14-V346 HydrophobicContact CG2-CG2 4.2Å
15H89.2Confident89Confident13 Ų1318.5 Ų18.56%0.0610%0.095CC..EExtended strand (participates in β ladder)trans-145.8138.7160.5-175.483.1000109.9F19 G324 S344H15-F19 HydrophobicContact CB-CE2 4.49Å; H15-F19 AromaticContact ND1-CD2 3.58Å; H15-F19 AromaticContact ND1-CG 3.98Å; H15-G324 PolarHBondContact NE2-O 3.01Å; H15-S344 PolarHBondContact N-O 2.96Å; H15-S344 VanDerWaalsContact N-O 3.15Å; H15-S344 PolarHBondContact N-OG 2.83Å; H15-S344 PolarHBondContact O-N 3.39Å
16H89.9Confident89Confident0 Ų018 Ų180%09%0.093CC..  trans-133.2151.5175.2179.3-92.2000109.6F13 L18 F19 H225 F250 E275F13-H16 HydrophobicContact CB-CB 3.94Å; F13-H16 HydrophobicContact CD1-CB 4.2Å; F13-H16 AromaticContact CE1-CD2 3.96Å; F13-H16 HydrophobicContact CG-CB 4.04Å; H16-L18 PolarHBondContact ND1-N 3.09Å; H16-L18 VanDerWaalsContact ND1-N 3.14Å; H16-L18 PolarHBondContact O-N 3.44Å; H16-L18 VanDerWaalsContact O-N 3.11Å; H16-F19 HydrophobicContact CB-CD1 3.65Å; H16-F19 HydrophobicContact CB-CE1 3.7Å; H16-F19 VanDerWaalsContact N-CD1 3.3Å; H16-F19 VanDerWaalsContact O-CB 3.25Å; H16-F19 WeakPolarHBondContact O-CB 3.12Å; H16-F19 PolarHBondContact O-N 3.02Å; H16-H225 AromaticContact CE1-CD2 3.54Å; H16-H225 AromaticContact CE1-NE2 3.86Å; H16-H225 AromaticContact NE2-CD2 3.7Å; H16-F250 HydrophobicContact CB-CD1 3.73Å; H16-F250 HydrophobicContact CB-CE1 4.14Å; H16-F250 HydrophobicContact CB-CG 4.46Å; H16-F250 AromaticContact CG-CD1 3.82Å; H16-F250 AromaticContact ND1-CD1 3.71Å; H16-F250 AromaticContact ND1-CE1 3.45Å; H16-F250 WeakPolarHBondContact ND1-CE1 3.39Å; H16-E275 IonicContact CD2-OE1 2.65Å; H16-E275 IonicContact NE2-OE1 2.74Å; H16-E275 PolarHBondContact NE2-OE1 3.24Å; H16-E275 VanDerWaalsContact NE2-OE1 3.14Å; H16-E275 IonicContact NE2-OE2 3.77Å; H16-E275 PolarHBondContact NE2-OE2 3.08Å
17S87.2Confident88.9Confident0 Ų022 Ų220%011%0.107CC..THydrogen-bonded Turntrans-61.2-23-174.551.70000114.6G324S17-G324 WeakPolarHBondContact O-CA 3.4Å; S17-G324 PolarHBondContact O-N 2.56Å
18L89.1Confident88.9Confident0 Ų026.4 Ų26.40%012%0.122CC..THydrogen-bonded Turntrans-89.84170.8-72.7174.4000115.1H16 S20 R218 Q221 I222 H225 F250 Y318 N320H16-L18 PolarHBondContact ND1-N 3.09Å; H16-L18 VanDerWaalsContact ND1-N 3.14Å; H16-L18 PolarHBondContact O-N 3.44Å; H16-L18 VanDerWaalsContact O-N 3.11Å; L18-S20 PolarHBondContact O-N 3.05Å; L18-R218 HydrophobicContact CD2-CG 4.16Å; L18-R218 WeakPolarHBondContact O-CD 3.47Å; L18-R218 PolarHBondContact O-NH1 2.67Å; L18-Q221 HydrophobicContact CD1-CB 4.27Å; L18-Q221 HydrophobicContact CD1-CG 4.09Å; L18-Q221 HydrophobicContact CD2-CB 4.43Å; L18-Q221 HydrophobicContact CD2-CG 4.21Å; L18-I222 HydrophobicContact CB-CG1 4.07Å; L18-I222 HydrophobicContact CD1-CB 4.34Å; L18-I222 HydrophobicContact CD1-CG1 3.7Å; L18-H225 WeakPolarHBondContact CD1-CE1 3.45Å; L18-F250 HydrophobicContact CB-CE1 3.9Å; L18-F250 HydrophobicContact CB-CZ 4.12Å; L18-F250 WeakPolarHBondContact O-CZ 3.18Å; L18-Y318 HydrophobicContact CD1-CE2 4.47Å; L18-Y318 HydrophobicContact CD2-CD1 4.45Å; L18-Y318 HydrophobicContact CD2-CD2 3.29Å; L18-Y318 HydrophobicContact CD2-CE2 3.83Å; L18-Y318 HydrophobicContact CD2-CG 3.65Å; L18-Y318 HydrophobicContact CG-CD2 3.68Å; L18-Y318 HydrophobicContact CG-CE2 3.72Å; L18-Y318 HydrophobicContact CG-CG 4.46Å; L18-N320 VanDerWaalsContact CD2-ND2 3.33Å; L18-N320 WeakPolarHBondContact CD2-ND2 3.46Å
19F88.7Confident88.8Confident11 Ų1126.8 Ų26.85%0.04812%0.123CC..  trans-56127.8171.8-90.233.6000109.7F13 T14 H15 H16 D23 V24 R27 F250 G322 V323F13-F19 HydrophobicContact CB-CE1 4.48Å; T14-F19 VanDerWaalsContact O-CE2 3.26Å; T14-F19 WeakPolarHBondContact O-CE2 3.3Å; H15-F19 HydrophobicContact CB-CE2 4.49Å; H15-F19 AromaticContact ND1-CD2 3.58Å; H15-F19 AromaticContact ND1-CG 3.98Å; H16-F19 HydrophobicContact CB-CD1 3.65Å; H16-F19 HydrophobicContact CB-CE1 3.7Å; H16-F19 VanDerWaalsContact N-CD1 3.3Å; H16-F19 VanDerWaalsContact O-CB 3.25Å; H16-F19 WeakPolarHBondContact O-CB 3.12Å; H16-F19 PolarHBondContact O-N 3.02Å; F19-D23 HydrophobicContact CB-CB 3.84Å; F19-D23 HydrophobicContact CD1-CB 4.29Å; F19-D23 HydrophobicContact CD2-CB 3.75Å; F19-D23 HydrophobicContact CE2-CB 4.36Å; F19-D23 HydrophobicContact CG-CB 3.69Å; F19-V24 HydrophobicContact CB-CG2 4.19Å; F19-V24 HydrophobicContact CD2-CG2 4.18Å; F19-R27 HydrophobicContact CE2-CB 4.35Å; F19-F250 AromaticContact CD1-CD1 3.95Å; F19-F250 HydrophobicContact CD1-CD1 3.95Å; F19-F250 AromaticContact CD1-CD2 3.66Å; F19-F250 HydrophobicContact CD1-CD2 3.66Å; F19-F250 HydrophobicContact CD1-CE1 4.04Å; F19-F250 AromaticContact CD1-CE2 3.74Å; F19-F250 HydrophobicContact CD1-CE2 3.74Å; F19-F250 AromaticContact CD1-CG 3.77Å; F19-F250 HydrophobicContact CD1-CG 3.77Å; F19-F250 AromaticContact CD1-CZ 3.93Å; F19-F250 HydrophobicContact CD1-CZ 3.93Å; F19-F250 HydrophobicContact CE1-CB 3.68Å; F19-F250 AromaticContact CE1-CD1 3.89Å; F19-F250 HydrophobicContact CE1-CD1 3.89Å; F19-F250 AromaticContact CE1-CD2 3.51Å; F19-F250 HydrophobicContact CE1-CD2 3.51Å; F19-F250 HydrophobicContact CE1-CE1 4.45Å; F19-F250 HydrophobicContact CE1-CE2 4.1Å; F19-F250 AromaticContact CE1-CG 3.39Å; F19-F250 HydrophobicContact CE1-CG 3.39Å; F19-F250 HydrophobicContact CZ-CB 4.47Å; F19-F250 HydrophobicContact CZ-CD2 4.46Å; F19-F250 HydrophobicContact CZ-CG 4.48Å; F19-G322 CarbonylContact O-C 3.54Å; F19-G322 VanDerWaalsContact O-CA 3.3Å; F19-G322 WeakPolarHBondContact O-CA 3.21Å; F19-V323 WeakPolarHBondContact O-CG2 3.35Å; F19-V323 PolarHBondContact O-N 2.76Å
20S87.6Confident88.7Confident3 Ų326.5 Ų26.52%0.02112%0.119CC..BIsolated β-bridgetrans-74.4170.816967.80000111.5L18 E22 D23 V24 T127 S321L18-S20 PolarHBondContact O-N 3.05Å; S20-E22 PolarHBondContact O-N 3.02Å; S20-E22 VanDerWaalsContact O-N 3.15Å; S20-E22 PolarHBondContact OG-N 2.82Å; S20-D23 VanDerWaalsContact CB-OD2 3.29Å; S20-D23 WeakPolarHBondContact CB-OD2 3.28Å; S20-D23 PolarHBondContact N-OD2 3.26Å; S20-D23 PolarHBondContact O-N 2.94Å; S20-D23 VanDerWaalsContact O-N 3.12Å; S20-D23 VanDerWaalsContact OG-CG 3.31Å; S20-D23 PolarHBondContact OG-N 3.45Å; S20-D23 PolarHBondContact OG-OD2 3Å; S20-V24 PolarHBondContact O-N 2.95Å; S20-V24 VanDerWaalsContact O-N 3.12Å; S20-T127 WeakPolarHBondContact OG-CG2 3.43Å; S20-S321 WeakPolarHBondContact CA-O 3.43Å
21K88.2Confident88.5Confident81 Ų8126.5 Ų26.535%0.35212%0.119SC..Hα-helixtrans-52.7-32.8167.9-61.1-167.5169.9-174.60112.3L25 L119 V323 L331 E333 F334K21-L25 VanDerWaalsContact O-CG 3.27Å; K21-L25 WeakPolarHBondContact O-CG 3.46Å; K21-L25 PolarHBondContact O-N 3.02Å; K21-L119 HydrophobicContact CB-CD2 3.79Å; K21-V323 HydrophobicContact CG-CG1 4.04Å; K21-L331 HydrophobicContact CB-CD2 3.99Å; K21-L331 HydrophobicContact CD-CD2 3.82Å; K21-L331 HydrophobicContact CG-CD2 3.77Å; K21-E333 IonicContact NZ-OE1 3.75Å; K21-E333 PolarHBondContact NZ-OE1 3Å; K21-F334 HydrophobicContact CD-CE2 4.31Å
22E87.5Confident88.3Confident0 Ų027.3 Ų27.30%012%0.124CC..Hα-helixtrans-77.1-38.4178.4-166.5-175.1146.200112.4S20 V24 L25 C26 I116 L119 R120 Q123 T127 T128S20-E22 PolarHBondContact O-N 3.02Å; S20-E22 VanDerWaalsContact O-N 3.15Å; S20-E22 PolarHBondContact OG-N 2.82Å; E22-V24 VanDerWaalsContact C-N 3.32Å; E22-V24 PolarHBondContact O-N 2.85Å; E22-L25 PolarHBondContact O-N 2.79Å; E22-C26 WeakPolarHBondContact O-CB 3.37Å; E22-C26 PolarHBondContact O-N 3.41Å; E22-C26 PolarHBondContact O-SG 3.28Å; E22-C26 VanDerWaalsContact O-SG 3.33Å; E22-I116 HydrophobicContact CG-CG2 4.34Å; E22-L119 HydrophobicContact CB-CD2 3.7Å; E22-L119 HydrophobicContact CG-CD2 4.37Å; E22-R120 IonicContact OE1-CZ 3.14Å; E22-R120 IonicContact OE1-NE 3.71Å; E22-R120 PolarHBondContact OE1-NE 2.89Å; E22-R120 IonicContact OE1-NH2 2.79Å; E22-R120 PolarHBondContact OE1-NH2 2.89Å; E22-Q123 PolarHBondContact OE2-NE2 3.48Å; E22-T127 VanDerWaalsContact CD-CB 3.43Å; E22-T127 VanDerWaalsContact CD-N 3.27Å; E22-T127 PolarHBondContact OE1-N 3.45Å; E22-T127 VanDerWaalsContact OE1-N 3.14Å; E22-T127 WeakPolarHBondContact OE2-CA 3.43Å; E22-T127 WeakPolarHBondContact OE2-CB 3.37Å; E22-T127 PolarHBondContact OE2-N 3.2Å; E22-T127 PolarHBondContact OE2-OG1 2.97Å; E22-T128 HydrophobicContact CG-CG2 4.19Å; E22-T128 PolarHBondContact OE1-N 2.97Å; E22-T128 PolarHBondContact OE1-OG1 3.1Å
23D88.3Confident88.1Confident15 Ų1527.2 Ų27.28%0.0812%0.12CC..Hα-helixtrans-60.5-44.1176-64.2-62.4000110.5F19 S20 C26 R27 T128 R218F19-D23 HydrophobicContact CB-CB 3.84Å; F19-D23 HydrophobicContact CD1-CB 4.29Å; F19-D23 HydrophobicContact CD2-CB 3.75Å; F19-D23 HydrophobicContact CE2-CB 4.36Å; F19-D23 HydrophobicContact CG-CB 3.69Å; S20-D23 VanDerWaalsContact CB-OD2 3.29Å; S20-D23 WeakPolarHBondContact CB-OD2 3.28Å; S20-D23 PolarHBondContact N-OD2 3.26Å; S20-D23 PolarHBondContact O-N 2.94Å; S20-D23 VanDerWaalsContact O-N 3.12Å; S20-D23 VanDerWaalsContact OG-CG 3.31Å; S20-D23 PolarHBondContact OG-N 3.45Å; S20-D23 PolarHBondContact OG-OD2 3Å; D23-C26 PolarHBondContact O-N 3.34Å; D23-R27 WeakPolarHBondContact O-CB 3.44Å; D23-R27 PolarHBondContact O-N 3.18Å; D23-T128 VanDerWaalsContact OD1-CG2 3.27Å; D23-T128 WeakPolarHBondContact OD1-CG2 3.25Å; D23-R218 IonicContact OD2-CZ 2.71Å; D23-R218 IonicContact OD2-NH1 3.18Å; D23-R218 PolarHBondContact OD2-NH1 3.07Å; D23-R218 IonicContact OD2-NH2 3.77Å
24V89.6Confident87.9Confident12 Ų1230 Ų307%0.07314%0.136CC..Hα-helixtrans-60.2-48.4173.6175.60000111.8F19 S20 E22 C26 R27 R28 V323 L331 F339F19-V24 HydrophobicContact CB-CG2 4.19Å; F19-V24 HydrophobicContact CD2-CG2 4.18Å; S20-V24 PolarHBondContact O-N 2.95Å; S20-V24 VanDerWaalsContact O-N 3.12Å; E22-V24 VanDerWaalsContact C-N 3.32Å; E22-V24 PolarHBondContact O-N 2.85Å; V24-C26 VanDerWaalsContact C-N 3.34Å; V24-C26 PolarHBondContact O-N 3.4Å; V24-R27 PolarHBondContact O-N 3.32Å; V24-R28 WeakPolarHBondContact O-CB 3.38Å; V24-R28 PolarHBondContact O-N 2.69Å; V24-V323 HydrophobicContact CG2-CG2 3.91Å; V24-L331 HydrophobicContact CB-CD1 4.09Å; V24-L331 HydrophobicContact CG1-CD1 3.52Å; V24-F339 HydrophobicContact CG1-CE1 4.47Å; V24-F339 HydrophobicContact CG1-CZ 3.81Å
25L89.2Confident87.6Confident0 Ų032.3 Ų32.30%015%0.149CC..Hα-helixtrans-63.8-37.8178.4-73.5169.1000112.2K21 E22 R28 L29 T112 N115 I116 L119 F334 I336K21-L25 VanDerWaalsContact O-CG 3.27Å; K21-L25 WeakPolarHBondContact O-CG 3.46Å; K21-L25 PolarHBondContact O-N 3.02Å; E22-L25 PolarHBondContact O-N 2.79Å; L25-R28 PolarHBondContact O-N 3.34Å; L25-L29 WeakPolarHBondContact O-CB 3.28Å; L25-L29 PolarHBondContact O-N 3.49Å; L25-T112 HydrophobicContact CD2-CG2 4.36Å; L25-T112 WeakPolarHBondContact O-CG2 3.47Å; L25-N115 HydrophobicContact CD1-CB 4.32Å; L25-N115 HydrophobicContact CD2-CB 4.25Å; L25-I116 HydrophobicContact CB-CD1 4.11Å; L25-I116 HydrophobicContact CB-CG1 3.56Å; L25-I116 HydrophobicContact CD1-CG1 4.27Å; L25-L119 HydrophobicContact CD1-CD2 3.88Å; L25-F334 HydrophobicContact CD1-CD1 4.2Å; L25-F334 HydrophobicContact CD1-CD2 4.19Å; L25-F334 HydrophobicContact CD1-CE1 4.19Å; L25-F334 HydrophobicContact CD1-CE2 4.2Å; L25-F334 HydrophobicContact CD1-CG 4.2Å; L25-F334 HydrophobicContact CD1-CZ 4.21Å; L25-F334 HydrophobicContact CD2-CB 4.26Å; L25-F334 HydrophobicContact CD2-CG 4.32Å; L25-I336 HydrophobicContact CD2-CD1 3.56Å
26C87.3Confident87.2Confident1 Ų134.2 Ų34.21%0.00716%0.158CC..Hα-helixtrans-71-37176.9-73.10000112.5E22 D23 V24 R28 L29 L30 T128 F130E22-C26 WeakPolarHBondContact O-CB 3.37Å; E22-C26 PolarHBondContact O-N 3.41Å; E22-C26 PolarHBondContact O-SG 3.28Å; E22-C26 VanDerWaalsContact O-SG 3.33Å; D23-C26 PolarHBondContact O-N 3.34Å; V24-C26 VanDerWaalsContact C-N 3.34Å; V24-C26 PolarHBondContact O-N 3.4Å; C26-R28 VanDerWaalsContact C-N 3.34Å; C26-L29 PolarHBondContact O-N 3.31Å; C26-L30 PolarHBondContact O-N 2.95Å; C26-T128 HydrophobicContact CB-CG2 4.09Å; C26-T128 PolarHBondContact SG-OG1 3.16Å; C26-F130 HydrophobicContact CB-CB 4.43Å; C26-F130 HydrophobicContact CB-CD1 3.92Å; C26-F130 HydrophobicContact CB-CD2 3.97Å; C26-F130 HydrophobicContact CB-CE1 4.09Å; C26-F130 HydrophobicContact CB-CE2 4.14Å; C26-F130 HydrophobicContact CB-CG 3.85Å; C26-F130 HydrophobicContact CB-CZ 4.2Å; C26-F130 WeakPolarHBondContact O-CE1 3.37Å
27R87.4Confident86.7Confident83 Ų8337.1 Ų37.131%0.31317%0.171SC..Hα-helixtrans-59.8-46.4169.1174.463.3-159.7-179.6-3.3110.8T14 F19 D23 V24 L29 L30 E31T14-R27 WeakPolarHBondContact O-CG 3.5Å; F19-R27 HydrophobicContact CE2-CB 4.35Å; D23-R27 WeakPolarHBondContact O-CB 3.44Å; D23-R27 PolarHBondContact O-N 3.18Å; V24-R27 PolarHBondContact O-N 3.32Å; R27-L29 PolarHBondContact O-N 2.89Å; R27-L30 WeakPolarHBondContact O-CB 3.42Å; R27-L30 PolarHBondContact O-N 2.94Å; R27-L30 VanDerWaalsContact O-N 3.15Å; R27-E31 IonicContact CZ-OE1 2.8Å; R27-E31 IonicContact NE-OE1 3.15Å; R27-E31 PolarHBondContact NE-OE1 3.17Å; R27-E31 IonicContact NH2-OE1 2.72Å; R27-E31 PolarHBondContact O-N 3.02Å
28R88.6Confident86.3Confident118 Ų11839.3 Ų39.345%0.44519%0.187SC..Hα-helixtrans-64.2-37.4177.6-170.952.5167.5-178-3.2113V24 L25 C26 L30 E31 L32V24-R28 WeakPolarHBondContact O-CB 3.38Å; V24-R28 PolarHBondContact O-N 2.69Å; L25-R28 PolarHBondContact O-N 3.34Å; C26-R28 VanDerWaalsContact C-N 3.34Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 2.97Å; R28-E31 VanDerWaalsContact CD-OE2 3.22Å; R28-E31 WeakPolarHBondContact CD-OE2 3.44Å; R28-E31 IonicContact CZ-OE2 3.72Å; R28-E31 IonicContact NE-OE2 3.9Å; R28-E31 IonicContact NH1-OE2 3.16Å; R28-E31 PolarHBondContact NH1-OE2 3.48Å; R28-E31 PolarHBondContact O-N 3.49Å; R28-L32 HydrophobicContact CG-CD1 4.36Å; R28-L32 VanDerWaalsContact O-CG 3.31Å; R28-L32 WeakPolarHBondContact O-CG 3.49Å; R28-L32 PolarHBondContact O-N 2.72Å
29L88.9Confident86Confident8 Ų841.1 Ų41.14%0.04219%0.193CC..Hα-helixtrans-61.7-40.1173.1-177.164.9000111.5L25 C26 R27 L32 Y33 I109 T112 W113 I116L25-L29 WeakPolarHBondContact O-CB 3.28Å; L25-L29 PolarHBondContact O-N 3.49Å; C26-L29 PolarHBondContact O-N 3.31Å; R27-L29 PolarHBondContact O-N 2.89Å; L29-L32 PolarHBondContact O-N 3.15Å; L29-Y33 VanDerWaalsContact O-CB 3.29Å; L29-Y33 WeakPolarHBondContact O-CB 3.34Å; L29-Y33 PolarHBondContact O-N 2.95Å; L29-I109 HydrophobicContact CD1-CG2 3.95Å; L29-T112 HydrophobicContact CB-CG2 3.98Å; L29-T112 HydrophobicContact CD1-CG2 4.46Å; L29-W113 HydrophobicContact CD1-CB 4.47Å; L29-W113 HydrophobicContact CD2-CE3 3.96Å; L29-I116 HydrophobicContact CB-CD1 4.16Å; L29-I116 HydrophobicContact CD2-CD1 3.8Å
30L86.9Confident85.4Confident38 Ų3844.6 Ų44.620%0.19921%0.212CC..Hα-helixtrans-69.4-37177.9-166.8135.4000112.5C26 R27 R28 Y33 N34 F130 L404C26-L30 PolarHBondContact O-N 2.95Å; R27-L30 WeakPolarHBondContact O-CB 3.42Å; R27-L30 PolarHBondContact O-N 2.94Å; R27-L30 VanDerWaalsContact O-N 3.15Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 2.97Å; L30-Y33 PolarHBondContact O-N 3.13Å; L30-N34 WeakPolarHBondContact O-CB 3.27Å; L30-N34 PolarHBondContact O-N 2.97Å; L30-N34 PolarHBondContact O-ND2 3.36Å; L30-N34 PolarHBondContact O-OD1 3.27Å; L30-F130 HydrophobicContact CB-CE1 4.23Å; L30-F130 HydrophobicContact CD1-CE1 3.94Å; L30-F130 HydrophobicContact CD1-CZ 4.1Å; L30-L404 HydrophobicContact CD1-CD1 3.76Å; L30-L404 HydrophobicContact CG-CD1 4.14Å
31E85.6Confident84.7Confident60 Ų6046 Ų4628%0.2822%0.217SC..Hα-helixtrans-61.2-50.6171.1-71.6164.4-168.800111.8R27 R28 Y33 N34 V35R27-E31 IonicContact CZ-OE1 2.8Å; R27-E31 IonicContact NE-OE1 3.15Å; R27-E31 PolarHBondContact NE-OE1 3.17Å; R27-E31 IonicContact NH2-OE1 2.72Å; R27-E31 PolarHBondContact O-N 3.02Å; R28-E31 VanDerWaalsContact CD-OE2 3.22Å; R28-E31 WeakPolarHBondContact CD-OE2 3.44Å; R28-E31 IonicContact CZ-OE2 3.72Å; R28-E31 IonicContact NE-OE2 3.9Å; R28-E31 IonicContact NH1-OE2 3.16Å; R28-E31 PolarHBondContact NH1-OE2 3.48Å; R28-E31 PolarHBondContact O-N 3.49Å; E31-Y33 VanDerWaalsContact C-N 3.3Å; E31-Y33 PolarHBondContact O-N 3.05Å; E31-N34 PolarHBondContact O-N 3.3Å; E31-V35 WeakPolarHBondContact O-CG2 3.39Å; E31-V35 PolarHBondContact O-N 2.79Å
32L87.7Confident84.3Confident18 Ų1845.3 Ų45.39%0.09422%0.215CC..Hα-helixtrans-61.8-38.9177.5-67.5168.7000111.6R28 L29 V35 F36 L105 K108 I109 T112R28-L32 HydrophobicContact CG-CD1 4.36Å; R28-L32 VanDerWaalsContact O-CG 3.31Å; R28-L32 WeakPolarHBondContact O-CG 3.49Å; R28-L32 PolarHBondContact O-N 2.72Å; L29-L32 PolarHBondContact O-N 3.15Å; L32-V35 PolarHBondContact O-N 3.29Å; L32-F36 WeakPolarHBondContact O-CB 3.37Å; L32-F36 PolarHBondContact O-N 2.71Å; L32-L105 HydrophobicContact CB-CD1 4.33Å; L32-L105 HydrophobicContact CD2-CD1 3.89Å; L32-K108 HydrophobicContact CD1-CB 4.09Å; L32-K108 HydrophobicContact CD2-CB 4.16Å; L32-I109 HydrophobicContact CB-CD1 4.34Å; L32-I109 HydrophobicContact CB-CG1 3.64Å; L32-T112 WeakPolarHBondContact CD1-OG1 3.31Å
33Y86.5Confident83.9Confident69 Ų6946.8 Ų46.827%0.27122%0.223SC..Hα-helixtrans-64.2-38.9174.7-175-96.4000112.5L29 L30 E31 V35 F36 Q37 L404L29-Y33 VanDerWaalsContact O-CB 3.29Å; L29-Y33 WeakPolarHBondContact O-CB 3.34Å; L29-Y33 PolarHBondContact O-N 2.95Å; L30-Y33 PolarHBondContact O-N 3.13Å; E31-Y33 VanDerWaalsContact C-N 3.3Å; E31-Y33 PolarHBondContact O-N 3.05Å; Y33-V35 VanDerWaalsContact C-N 3.35Å; Y33-F36 HydrophobicContact CD2-CD1 4.35Å; Y33-F36 HydrophobicContact CE2-CD1 4.42Å; Y33-F36 PolarHBondContact O-N 3.3Å; Y33-Q37 HydrophobicContact CD1-CG 4.03Å; Y33-Q37 HydrophobicContact CE1-CG 3.62Å; Y33-Q37 WeakPolarHBondContact O-CB 3.3Å; Y33-Q37 WeakPolarHBondContact O-CG 3.44Å; Y33-Q37 PolarHBondContact O-N 3.06Å; Y33-Q37 PolarHBondContact OH-NE2 2.82Å; Y33-L404 HydrophobicContact CD1-CD1 3.77Å; Y33-L404 HydrophobicContact CD1-CG 4.3Å; Y33-L404 HydrophobicContact CE1-CD1 3.98Å; Y33-L404 HydrophobicContact CE1-CD2 4.15Å; Y33-L404 HydrophobicContact CE1-CG 4.01Å
34N83.8Confident83.7Confident73 Ų7347.9 Ų47.939%0.3923%0.228SC..Hα-helixtrans-65.5-37174.9-69.6-15.8000112L30 E31 S38L30-N34 WeakPolarHBondContact O-CB 3.27Å; L30-N34 PolarHBondContact O-N 2.97Å; L30-N34 PolarHBondContact O-ND2 3.36Å; L30-N34 PolarHBondContact O-OD1 3.27Å; E31-N34 PolarHBondContact O-N 3.3Å; N34-S38 PolarHBondContact O-N 2.84Å
35V82.5Confident83.3Confident76 Ų7648.1 Ų48.146%0.46123%0.231SC..Hα-helixtrans-67.4-40.9172.4179.70000111E31 L32 Y33 S38 R39 L105E31-V35 WeakPolarHBondContact O-CG2 3.39Å; E31-V35 PolarHBondContact O-N 2.79Å; L32-V35 PolarHBondContact O-N 3.29Å; Y33-V35 VanDerWaalsContact C-N 3.35Å; V35-S38 CarbonylContact O-C 3.48Å; V35-S38 WeakPolarHBondContact O-CA 3.43Å; V35-S38 WeakPolarHBondContact O-CB 3.45Å; V35-S38 PolarHBondContact O-N 3.12Å; V35-S38 VanDerWaalsContact O-N 3.08Å; V35-R39 PolarHBondContact O-N 3.07Å; V35-L105 HydrophobicContact CB-CD1 4.5Å; V35-L105 HydrophobicContact CB-CD2 4.33Å; V35-L105 HydrophobicContact CG1-CD1 4.4Å; V35-L105 HydrophobicContact CG1-CD2 3.81Å
36F81.7Confident82.9Confident53 Ų5352 Ų5223%0.23225%0.246CC..Hα-helixtrans-65.3-40.8176.9171.2-105.8000112.1L32 Y33 S38 R39 L40 L105 I109L32-F36 WeakPolarHBondContact O-CB 3.37Å; L32-F36 PolarHBondContact O-N 2.71Å; Y33-F36 HydrophobicContact CD2-CD1 4.35Å; Y33-F36 HydrophobicContact CE2-CD1 4.42Å; Y33-F36 PolarHBondContact O-N 3.3Å; F36-S38 VanDerWaalsContact C-N 3.34Å; F36-S38 PolarHBondContact O-N 2.87Å; F36-R39 PolarHBondContact O-N 3.27Å; F36-L40 HydrophobicContact CD1-CD1 4.04Å; F36-L40 HydrophobicContact CD1-CG 4.48Å; F36-L40 HydrophobicContact CD2-CG 4.41Å; F36-L40 HydrophobicContact CE1-CD1 3.46Å; F36-L40 VanDerWaalsContact CE1-CD1 3.46Å; F36-L40 HydrophobicContact CE1-CG 4.11Å; F36-L40 HydrophobicContact CE2-CD1 4.24Å; F36-L40 HydrophobicContact CE2-CD2 4.19Å; F36-L40 HydrophobicContact CE2-CG 4.03Å; F36-L40 HydrophobicContact CZ-CD1 3.58Å; F36-L40 HydrophobicContact CZ-CD2 4.1Å; F36-L40 HydrophobicContact CZ-CG 3.87Å; F36-L40 WeakPolarHBondContact O-CB 3.5Å; F36-L40 WeakPolarHBondContact O-CG 3.41Å; F36-L40 PolarHBondContact O-N 2.88Å; F36-L105 HydrophobicContact CB-CD2 3.91Å; F36-L105 HydrophobicContact CB-CG 4.28Å; F36-I109 HydrophobicContact CB-CD1 3.53Å; F36-I109 HydrophobicContact CD1-CD1 4.42Å; F36-I109 HydrophobicContact CD2-CD1 4.38Å; F36-I109 HydrophobicContact CG-CD1 3.89Å
37Q79Confident82.9Confident60 Ų6054.9 Ų54.928%0.2826%0.259SS..Hα-helixtrans-57.5-46.2167.2-77.5-68.9-25.900110.8Y33 R39 R41Y33-Q37 HydrophobicContact CD1-CG 4.03Å; Y33-Q37 HydrophobicContact CE1-CG 3.62Å; Y33-Q37 WeakPolarHBondContact O-CB 3.3Å; Y33-Q37 WeakPolarHBondContact O-CG 3.44Å; Y33-Q37 PolarHBondContact O-N 3.06Å; Y33-Q37 PolarHBondContact OH-NE2 2.82Å; Q37-R39 VanDerWaalsContact C-N 3.31Å; Q37-R39 PolarHBondContact O-N 2.91Å; Q37-R41 VanDerWaalsContact O-CB 3.25Å; Q37-R41 WeakPolarHBondContact O-CB 3.26Å; Q37-R41 WeakPolarHBondContact O-CG 3.38Å; Q37-R41 PolarHBondContact O-N 3.27Å
38S78.1Confident82.8Confident47 Ų4752.3 Ų52.333%0.32925%0.25SC..Hα-helixtrans-59.1-40.2175.5-151.10000113.1N34 V35 F36 R41 E42N34-S38 PolarHBondContact O-N 2.84Å; V35-S38 CarbonylContact O-C 3.48Å; V35-S38 WeakPolarHBondContact O-CA 3.43Å; V35-S38 WeakPolarHBondContact O-CB 3.45Å; V35-S38 PolarHBondContact O-N 3.12Å; V35-S38 VanDerWaalsContact O-N 3.08Å; F36-S38 VanDerWaalsContact C-N 3.34Å; F36-S38 PolarHBondContact O-N 2.87Å; S38-R41 WeakPolarHBondContact O-CB 3.49Å; S38-R41 PolarHBondContact O-N 3.33Å; S38-E42 WeakPolarHBondContact O-CB 3.29Å; S38-E42 PolarHBondContact O-N 2.96Å
39R83.1Confident82.6Confident38 Ų3848.4 Ų48.414%0.14324%0.243CC..Hα-helixtrans-76.6-35.8-179.4-73.8-170.258.783.14.9114.3V35 F36 Q37 R41 E42 N43 E98 D102V35-R39 PolarHBondContact O-N 3.07Å; F36-R39 PolarHBondContact O-N 3.27Å; Q37-R39 VanDerWaalsContact C-N 3.31Å; Q37-R39 PolarHBondContact O-N 2.91Å; R39-R41 VanDerWaalsContact C-N 3.26Å; R39-R41 PolarHBondContact O-N 2.9Å; R39-E42 PolarHBondContact O-N 3.3Å; R39-N43 PolarHBondContact O-N 3.36Å; R39-E98 IonicContact CZ-OE2 3.35Å; R39-E98 IonicContact NH1-OE2 2.64Å; R39-E98 PolarHBondContact NH1-OE2 2.95Å; R39-E98 PolarHBondContact NH2-O 3.42Å; R39-E98 VanDerWaalsContact NH2-O 3.15Å; R39-E98 IonicContact NH2-OE2 3.65Å; R39-E98 PolarHBondContact NH2-OE2 3.32Å; R39-D102 IonicContact CZ-OD1 3.62Å; R39-D102 VanDerWaalsContact CZ-OD1 3.27Å; R39-D102 IonicContact NE-OD1 3.19Å; R39-D102 PolarHBondContact NE-OD1 2.86Å; R39-D102 IonicContact NH2-OD1 3.2Å; R39-D102 PolarHBondContact NH2-OD1 2.93Å; R39-D102 IonicContact NH2-OD2 2.77Å; R39-D102 PolarHBondContact NH2-OD2 2.77Å
40L75.2Confident82.5Confident83 Ų8351 Ų5144%0.43526%0.255SS..Hα-helixtrans-60.6-38.3167.2-76.4-179.6000111.7F36 E42F36-L40 HydrophobicContact CD1-CD1 4.04Å; F36-L40 HydrophobicContact CD1-CG 4.48Å; F36-L40 HydrophobicContact CD2-CG 4.41Å; F36-L40 HydrophobicContact CE1-CD1 3.46Å; F36-L40 VanDerWaalsContact CE1-CD1 3.46Å; F36-L40 HydrophobicContact CE1-CG 4.11Å; F36-L40 HydrophobicContact CE2-CD1 4.24Å; F36-L40 HydrophobicContact CE2-CD2 4.19Å; F36-L40 HydrophobicContact CE2-CG 4.03Å; F36-L40 HydrophobicContact CZ-CD1 3.58Å; F36-L40 HydrophobicContact CZ-CD2 4.1Å; F36-L40 HydrophobicContact CZ-CG 3.87Å; F36-L40 WeakPolarHBondContact O-CB 3.5Å; F36-L40 WeakPolarHBondContact O-CG 3.41Å; F36-L40 PolarHBondContact O-N 2.88Å; L40-E42 VanDerWaalsContact C-N 3.3Å
41R73.3Confident82.5Confident32 Ų3250.9 Ų50.912%0.12125%0.253CS..Hα-helixtrans-69.5-27.7176.8-72.3-164.3-63.3-173.62.5112.4Q37 S38 R39 V400 H428Q37-R41 VanDerWaalsContact O-CB 3.25Å; Q37-R41 WeakPolarHBondContact O-CB 3.26Å; Q37-R41 WeakPolarHBondContact O-CG 3.38Å; Q37-R41 PolarHBondContact O-N 3.27Å; S38-R41 WeakPolarHBondContact O-CB 3.49Å; S38-R41 PolarHBondContact O-N 3.33Å; R39-R41 VanDerWaalsContact C-N 3.26Å; R39-R41 PolarHBondContact O-N 2.9Å; R41-V400 PolarHBondContact NH2-O 2.86Å; R41-H428 HydrophobicContact CB-CB 3.87Å; R41-H428 WeakPolarHBondContact CB-O 3.43Å; R41-H428 HydrophobicContact CG-CB 3.68Å; R41-H428 CarbonylContact O-C 3.43Å; R41-H428 VanDerWaalsContact O-C 3.25Å; R41-H428 PolarHBondContact O-N 3.2Å
42E79.9Confident82.7Confident67 Ų6748.2 Ų48.231%0.31324%0.24SC..Hα-helixtrans-84.3-41.8175.1-94165.6171.800114.6S38 R39 L40 L44 S430S38-E42 WeakPolarHBondContact O-CB 3.29Å; S38-E42 PolarHBondContact O-N 2.96Å; R39-E42 PolarHBondContact O-N 3.3Å; L40-E42 VanDerWaalsContact C-N 3.3Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 HydrophobicContact CB-CG 4.36Å; E42-L44 PolarHBondContact O-N 3.11Å; E42-S430 WeakPolarHBondContact OE1-CB 3.47Å; E42-S430 PolarHBondContact OE1-OG 3.47Å
43N80.3Confident82.7Confident32 Ų3248 Ų4817%0.17124%0.241CC..  trans54.232.4175.4-154.734.4000116.5R39 S45 Y46 H47R39-N43 PolarHBondContact O-N 3.36Å; N43-S45 PolarHBondContact O-N 2.94Å; N43-Y46 WeakPolarHBondContact ND2-CB 3.49Å; N43-Y46 WeakPolarHBondContact ND2-CD1 3.46Å; N43-Y46 PolarHBondContact O-N 3Å; N43-Y46 WeakPolarHBondContact OD1-CB 3.39Å; N43-H47 PolarHBondContact O-N 2.91Å
44L83.9Confident82.7Confident37 Ų3746.8 Ų46.819%0.19424%0.239CC..Hα-helixtrans-65-32.4-173.7-64.6175.6000114.8E42 H47 Y48 E98E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 HydrophobicContact CB-CG 4.36Å; E42-L44 PolarHBondContact O-N 3.11Å; L44-H47 PolarHBondContact O-N 3.14Å; L44-Y48 VanDerWaalsContact O-CD2 3.28Å; L44-Y48 WeakPolarHBondContact O-CD2 3.14Å; L44-Y48 PolarHBondContact O-N 3.44Å; L44-E98 HydrophobicContact CB-CB 4.47Å; L44-E98 HydrophobicContact CB-CG 3.95Å
45S79.8Confident82.9Confident18 Ų1843.3 Ų43.313%0.12622%0.221CC..Hα-helixtrans-63.5-46176.540.20000111.4N43 Y48 A49 D102N43-S45 PolarHBondContact O-N 2.94Å; S45-Y48 PolarHBondContact O-N 3.27Å; S45-A49 PolarHBondContact O-N 3.45Å; S45-D102 VanDerWaalsContact CB-OD2 3.3Å; S45-D102 WeakPolarHBondContact CB-OD2 3.42Å; S45-D102 PolarHBondContact OG-OD2 2.77Å
46Y82.3Confident83.1Confident82 Ų8240.2 Ų40.232%0.32220%0.201SC..Hα-helixtrans-64.3-40.3172.6-174.3-106.7000112.1N43 Y48 A49 Q50 I425N43-Y46 WeakPolarHBondContact ND2-CB 3.49Å; N43-Y46 WeakPolarHBondContact ND2-CD1 3.46Å; N43-Y46 PolarHBondContact O-N 3Å; N43-Y46 WeakPolarHBondContact OD1-CB 3.39Å; Y46-Y48 VanDerWaalsContact C-N 3.34Å; Y46-Y48 PolarHBondContact O-N 2.98Å; Y46-A49 PolarHBondContact O-N 2.87Å; Y46-A49 VanDerWaalsContact O-N 3.12Å; Y46-Q50 HydrophobicContact CD1-CG 4.04Å; Y46-Q50 HydrophobicContact CE1-CG 3.64Å; Y46-Q50 HydrophobicContact CE2-CG 4.18Å; Y46-Q50 WeakPolarHBondContact O-CB 3.45Å; Y46-Q50 WeakPolarHBondContact O-CG 3.44Å; Y46-Q50 PolarHBondContact O-N 2.75Å; Y46-Q50 PolarHBondContact OH-NE2 3.24Å; Y46-I425 HydrophobicContact CD1-CD1 3.53Å; Y46-I425 HydrophobicContact CD2-CD1 4.11Å; Y46-I425 HydrophobicContact CE1-CD1 3.26Å; Y46-I425 HydrophobicContact CE2-CD1 3.91Å; Y46-I425 HydrophobicContact CG-CD1 3.93Å; Y46-I425 VanDerWaalsContact CZ-CD1 3.48Å
47H85.9Confident83.4Confident61 Ų6138.6 Ų38.628%0.28220%0.195SC..Hα-helixtrans-58-44.2174.1179.982000111.7N43 L44 A49 Q50 Q51 F434N43-H47 PolarHBondContact O-N 2.91Å; L44-H47 PolarHBondContact O-N 3.14Å; H47-A49 VanDerWaalsContact C-N 3.35Å; H47-Q50 CarbonylContact O-C 3.51Å; H47-Q50 VanDerWaalsContact O-C 3.3Å; H47-Q50 PolarHBondContact O-N 3.34Å; H47-Q51 WeakPolarHBondContact O-CB 3.5Å; H47-Q51 VanDerWaalsContact O-CG 3.23Å; H47-Q51 WeakPolarHBondContact O-CG 3.17Å; H47-Q51 PolarHBondContact O-N 3.33Å; H47-F434 PolarHBondContact NE2-O 2.99Å
48Y86.8Confident83.9Confident29 Ų2940.3 Ų40.311%0.11420%0.199CC..Hα-helixtrans-77.9-12.8176.1-64-47.7000114.6L44 S45 Y46 Q51 L52 L91 R94 E98L44-Y48 VanDerWaalsContact O-CD2 3.28Å; L44-Y48 WeakPolarHBondContact O-CD2 3.14Å; L44-Y48 PolarHBondContact O-N 3.44Å; S45-Y48 PolarHBondContact O-N 3.27Å; Y46-Y48 VanDerWaalsContact C-N 3.34Å; Y46-Y48 PolarHBondContact O-N 2.98Å; Y48-Q51 CarbonylContact O-C 3.51Å; Y48-L52 WeakPolarHBondContact O-CB 3.49Å; Y48-L52 PolarHBondContact O-N 3.04Å; Y48-L91 HydrophobicContact CD1-CD2 3.59Å; Y48-L91 HydrophobicContact CE1-CD2 4.09Å; Y48-R94 HydrophobicContact CD1-CB 4.09Å; Y48-R94 HydrophobicContact CD2-CB 3.79Å; Y48-R94 HydrophobicContact CE1-CB 4.29Å; Y48-R94 HydrophobicContact CE2-CB 3.98Å; Y48-R94 HydrophobicContact CG-CB 3.86Å; Y48-E98 HydrophobicContact CD2-CB 4.44Å; Y48-E98 HydrophobicContact CD2-CG 3.85Å; Y48-E98 HydrophobicContact CE2-CG 3.89Å
49A84.4Confident84.3Confident36 Ų3638.4 Ų38.430%0.29819%0.185SC..Hα-helixtrans-80.9-42.1166.800000111.5S45 Y46 H47 Q51 L52 R95S45-A49 PolarHBondContact O-N 3.45Å; Y46-A49 PolarHBondContact O-N 2.87Å; Y46-A49 VanDerWaalsContact O-N 3.12Å; H47-A49 VanDerWaalsContact C-N 3.35Å; A49-Q51 PolarHBondContact O-N 3.05Å; A49-L52 PolarHBondContact O-N 2.84Å; A49-R95 HydrophobicContact CB-CG 4.19Å
50Q85.5Confident84.4Confident63 Ų6339.7 Ų39.729%0.29419%0.192SC..THydrogen-bonded Turntrans-68.30.4163.1-68.5-163.1-57.300113.6Y46 H47 Q438 F439Y46-Q50 HydrophobicContact CD1-CG 4.04Å; Y46-Q50 HydrophobicContact CE1-CG 3.64Å; Y46-Q50 HydrophobicContact CE2-CG 4.18Å; Y46-Q50 WeakPolarHBondContact O-CB 3.45Å; Y46-Q50 WeakPolarHBondContact O-CG 3.44Å; Y46-Q50 PolarHBondContact O-N 2.75Å; Y46-Q50 PolarHBondContact OH-NE2 3.24Å; H47-Q50 CarbonylContact O-C 3.51Å; H47-Q50 VanDerWaalsContact O-C 3.3Å; H47-Q50 PolarHBondContact O-N 3.34Å; Q50-Q438 CarbonylContact C-O 3.55Å; Q50-Q438 WeakPolarHBondContact CA-O 3.31Å; Q50-Q438 CarbonylContact O-C 3.53Å; Q50-F439 HydrophobicContact CB-CD2 4.4Å; Q50-F439 HydrophobicContact CB-CE2 4.02Å; Q50-F439 HydrophobicContact CG-CE2 3.94Å
51Q88Confident84.8Confident35 Ų3540.6 Ų40.616%0.16419%0.194CC..THydrogen-bonded Turntrans-130.732.7163.5-51.7-68.2-15.200111.9H47 Y48 A49 L91 S435 S437 Q438H47-Q51 WeakPolarHBondContact O-CB 3.5Å; H47-Q51 VanDerWaalsContact O-CG 3.23Å; H47-Q51 WeakPolarHBondContact O-CG 3.17Å; H47-Q51 PolarHBondContact O-N 3.33Å; Y48-Q51 CarbonylContact O-C 3.51Å; A49-Q51 PolarHBondContact O-N 3.05Å; Q51-L91 HydrophobicContact CB-CD2 4.07Å; Q51-L91 WeakPolarHBondContact O-CB 3.42Å; Q51-L91 WeakPolarHBondContact O-CD1 3.29Å; Q51-L91 WeakPolarHBondContact O-CG 3.21Å; Q51-S435 PolarHBondContact OE1-O 3.36Å; Q51-S437 VanDerWaalsContact OE1-N 3.16Å; Q51-S437 PolarHBondContact OE1-O 3.08Å; Q51-Q438 CarbonylContact C-O 3.56Å; Q51-Q438 WeakPolarHBondContact CA-O 3.4Å; Q51-Q438 HydrophobicContact CB-CB 4.3Å; Q51-Q438 PolarHBondContact N-O 2.82Å; Q51-Q438 VanDerWaalsContact O-CB 3.28Å; Q51-Q438 WeakPolarHBondContact O-CB 3.49Å; Q51-Q438 PolarHBondContact O-NE2 3.29Å; Q51-Q438 PolarHBondContact O-OE1 2.84Å
52L88.8Confident85.3Confident3 Ų339.3 Ų39.32%0.01619%0.19CC..THydrogen-bonded Turntrans-111.5-18.6160.2178.955000117.1Y48 A49 R56 C88 R92 R95 Q438Y48-L52 WeakPolarHBondContact O-CB 3.49Å; Y48-L52 PolarHBondContact O-N 3.04Å; A49-L52 PolarHBondContact O-N 2.84Å; L52-R56 VanDerWaalsContact CD2-NH2 3.28Å; L52-C88 WeakPolarHBondContact CD1-O 3.29Å; L52-R92 HydrophobicContact CD1-CB 3.66Å; L52-R92 HydrophobicContact CD2-CB 4.07Å; L52-R92 HydrophobicContact CD2-CG 4.25Å; L52-R95 VanDerWaalsContact CD2-NH1 3.35Å; L52-Q438 VanDerWaalsContact C-OE1 3.3Å; L52-Q438 VanDerWaalsContact CA-OE1 3.25Å; L52-Q438 VanDerWaalsContact N-CB 3.26Å; L52-Q438 PolarHBondContact N-O 3.49Å; L52-Q438 VanDerWaalsContact N-O 3.09Å; L52-Q438 WeakPolarHBondContact O-CG 3.45Å; L52-Q438 PolarHBondContact O-OE1 2.85Å; L52-Q438 VanDerWaalsContact O-OE1 3.07Å
53A88.3Confident85.4Confident13 Ų1339.3 Ų39.311%0.10719%0.189CC..SBendtrans-102-19.5-165.700000119.9R56 T57 Q438 F439 T440A53-R56 CarbonylContact O-C 3.58Å; A53-R56 VanDerWaalsContact O-CA 3.23Å; A53-R56 WeakPolarHBondContact O-CA 3.46Å; A53-R56 WeakPolarHBondContact O-CB 3.5Å; A53-R56 PolarHBondContact O-N 2.96Å; A53-T57 PolarHBondContact O-N 3.02Å; A53-Q438 PolarHBondContact N-O 3.37Å; A53-F439 VanDerWaalsContact CA-N 3.35Å; A53-T440 WeakPolarHBondContact CB-O 3.5Å; A53-T440 PolarHBondContact O-N 2.87Å; A53-T440 PolarHBondContact O-OG1 2.77Å
54L86.5Confident85.5Confident45 Ų4542.5 Ų42.524%0.23621%0.205CC..Hα-helixtrans-102.3-12.2-171.1136.992.1000115.8R56 T57 R58 Q438 F439L54-R56 VanDerWaalsContact C-N 3.27Å; L54-T57 VanDerWaalsContact C-N 3.31Å; L54-T57 WeakPolarHBondContact CA-OG1 3.3Å; L54-T57 WeakPolarHBondContact CB-OG1 3.34Å; L54-T57 HydrophobicContact CD1-CG2 4.48Å; L54-T57 WeakPolarHBondContact O-CB 3.37Å; L54-T57 PolarHBondContact O-N 2.82Å; L54-R58 HydrophobicContact CD1-CG 4.04Å; L54-R58 WeakPolarHBondContact O-CB 3.3Å; L54-R58 WeakPolarHBondContact O-CD 3.38Å; L54-R58 WeakPolarHBondContact O-CG 3.44Å; L54-R58 PolarHBondContact O-N 3.04Å; L54-Q438 VanDerWaalsContact CA-CA 3.48Å; L54-Q438 VanDerWaalsContact CB-CA 3.41Å; L54-Q438 VanDerWaalsContact N-CG 3.32Å; L54-F439 HydrophobicContact CB-CB 3.31Å; L54-F439 HydrophobicContact CD2-CB 3.67Å; L54-F439 HydrophobicContact CG-CB 4.11Å; L54-F439 VanDerWaalsContact N-CA 3.34Å
55V88.3Confident85.2Confident0 Ų044.5 Ų44.50%022%0.216CC..Hα-helixtrans-74-30.3150.8176.50000107.1F59 L84 E87 S437 Q438V55-F59 WeakPolarHBondContact O-CA 3.06Å; V55-F59 WeakPolarHBondContact O-CB 3.24Å; V55-F59 PolarHBondContact O-N 2.8Å; V55-L84 HydrophobicContact CB-CD2 4.47Å; V55-L84 VanDerWaalsContact CG1-C 3.5Å; V55-L84 VanDerWaalsContact CG1-CA 3.41Å; V55-L84 HydrophobicContact CG1-CB 3.48Å; V55-L84 VanDerWaalsContact CG1-CB 3.48Å; V55-L84 HydrophobicContact CG1-CD2 3.6Å; V55-L84 HydrophobicContact CG1-CG 4.08Å; V55-L84 WeakPolarHBondContact CG1-O 3.35Å; V55-L84 HydrophobicContact CG2-CD2 4.32Å; V55-E87 HydrophobicContact CG1-CB 4.33Å; V55-E87 HydrophobicContact CG2-CG 4.25Å; V55-S437 WeakPolarHBondContact CG2-OG 3.46Å; V55-Q438 HydrophobicContact CB-CG 3.41Å; V55-Q438 VanDerWaalsContact CB-CG 3.41Å; V55-Q438 HydrophobicContact CG2-CG 3.7Å
56R86.5Confident85Confident11 Ų1146.1 Ų46.14%0.04222%0.223CC..Hα-helixtrans-62.8-37.2158.5-48.7-176.6-170.6148.55.6112.1L52 A53 L54 F59 H60 R92 D151 D154 E158L52-R56 VanDerWaalsContact CD2-NH2 3.28Å; A53-R56 CarbonylContact O-C 3.58Å; A53-R56 VanDerWaalsContact O-CA 3.23Å; A53-R56 WeakPolarHBondContact O-CA 3.46Å; A53-R56 WeakPolarHBondContact O-CB 3.5Å; A53-R56 PolarHBondContact O-N 2.96Å; L54-R56 VanDerWaalsContact C-N 3.27Å; R56-F59 PolarHBondContact O-N 3.12Å; R56-H60 WeakPolarHBondContact O-CB 3.44Å; R56-H60 PolarHBondContact O-N 2.94Å; R56-H60 PolarHBondContact O-ND1 3.02Å; R56-R92 VanDerWaalsContact NH2-CZ 3.27Å; R56-D151 IonicContact CZ-OD1 3.06Å; R56-D151 IonicContact NH1-OD1 3.93Å; R56-D151 PolarHBondContact NH1-OD1 2.93Å; R56-D151 IonicContact NH2-OD1 3.33Å; R56-D151 PolarHBondContact NH2-OD1 2.98Å; R56-D154 WeakPolarHBondContact CD-OD2 3.4Å; R56-D154 IonicContact CZ-OD2 2.71Å; R56-D154 IonicContact NE-OD2 3.09Å; R56-D154 PolarHBondContact NE-OD2 2.84Å; R56-D154 IonicContact NH1-OD2 2.96Å; R56-D154 PolarHBondContact NH1-OD2 2.95Å; R56-E158 IonicContact NE-OE1 2.82Å
57T88.1Confident84.6Confident18 Ų1849 Ų4911%0.1124%0.24CC..Hα-helixtrans-59.2-59.3171-45.80000110.3A53 L54 F59 H60 E61 F439 T440A53-T57 PolarHBondContact O-N 3.02Å; L54-T57 VanDerWaalsContact C-N 3.31Å; L54-T57 WeakPolarHBondContact CA-OG1 3.3Å; L54-T57 WeakPolarHBondContact CB-OG1 3.34Å; L54-T57 HydrophobicContact CD1-CG2 4.48Å; L54-T57 WeakPolarHBondContact O-CB 3.37Å; L54-T57 PolarHBondContact O-N 2.82Å; T57-F59 PolarHBondContact O-N 2.85Å; T57-H60 CarbonylContact O-C 3.59Å; T57-H60 PolarHBondContact O-N 3.33Å; T57-E61 HydrophobicContact CG2-CG 4.14Å; T57-E61 WeakPolarHBondContact CG2-OE1 3.28Å; T57-E61 WeakPolarHBondContact O-CB 3.3Å; T57-E61 VanDerWaalsContact O-CG 3.32Å; T57-E61 WeakPolarHBondContact O-CG 3.22Å; T57-E61 PolarHBondContact O-N 3.27Å; T57-F439 VanDerWaalsContact OG1-C 3.32Å; T57-F439 PolarHBondContact OG1-O 2.98Å; T57-F439 VanDerWaalsContact OG1-O 3.05Å; T57-T440 WeakPolarHBondContact CA-OG1 3.41Å; T57-T440 HydrophobicContact CG2-CG2 3.64Å; T57-T440 PolarHBondContact N-OG1 2.65Å; T57-T440 WeakPolarHBondContact OG1-CB 3.42Å; T57-T440 WeakPolarHBondContact OG1-CG2 3.43Å; T57-T440 PolarHBondContact OG1-N 3.23Å; T57-T440 PolarHBondContact OG1-OG1 3.15Å
58R88.1Confident83.9Confident97 Ų9751 Ų5137%0.36626%0.256SS..Hα-helixtrans-59.7-31.2-178.4-69.3161.4177.3-162.5-3.8112L54 E61 C62 L84 S437L54-R58 HydrophobicContact CD1-CG 4.04Å; L54-R58 WeakPolarHBondContact O-CB 3.3Å; L54-R58 WeakPolarHBondContact O-CD 3.38Å; L54-R58 WeakPolarHBondContact O-CG 3.44Å; L54-R58 PolarHBondContact O-N 3.04Å; R58-E61 WeakPolarHBondContact CA-OE2 3.37Å; R58-C62 WeakPolarHBondContact O-CB 3.3Å; R58-C62 PolarHBondContact O-N 3.06Å; R58-C62 PolarHBondContact O-SG 2.8Å; R58-L84 HydrophobicContact CB-CD1 4.19Å; R58-L84 HydrophobicContact CB-CD2 4.08Å; R58-S437 PolarHBondContact NH1-OG 2.86Å; R58-S437 VanDerWaalsContact NH1-OG 3.07Å
59F86.9Confident82.6Confident7 Ų751.8 Ų51.83%0.03127%0.266CS..Hα-helixtrans-69.9-49.8172.4164.1-108.9000111.2V55 R56 T57 E61 C62 K63 I81 L84 L85 E157V55-F59 WeakPolarHBondContact O-CA 3.06Å; V55-F59 WeakPolarHBondContact O-CB 3.24Å; V55-F59 PolarHBondContact O-N 2.8Å; R56-F59 PolarHBondContact O-N 3.12Å; T57-F59 PolarHBondContact O-N 2.85Å; F59-E61 VanDerWaalsContact C-N 3.34Å; F59-E61 PolarHBondContact O-N 3.09Å; F59-C62 PolarHBondContact O-N 3.12Å; F59-K63 HydrophobicContact CZ-CD 4.12Å; F59-K63 WeakPolarHBondContact O-CB 3.38Å; F59-K63 PolarHBondContact O-N 2.76Å; F59-I81 HydrophobicContact CD2-CG2 3.99Å; F59-I81 HydrophobicContact CE2-CG2 3.83Å; F59-L84 HydrophobicContact CB-CB 4.37Å; F59-L85 HydrophobicContact CD1-CD2 4.46Å; F59-L85 HydrophobicContact CD2-CD1 4.31Å; F59-L85 HydrophobicContact CD2-CD2 3.94Å; F59-L85 HydrophobicContact CD2-CG 3.85Å; F59-L85 HydrophobicContact CE1-CD2 4.24Å; F59-L85 HydrophobicContact CE2-CD1 3.77Å; F59-L85 HydrophobicContact CE2-CD2 3.71Å; F59-L85 HydrophobicContact CE2-CG 3.74Å; F59-L85 HydrophobicContact CG-CD2 4.32Å; F59-L85 HydrophobicContact CZ-CD1 4.42Å; F59-L85 HydrophobicContact CZ-CD2 3.87Å; F59-L85 HydrophobicContact CZ-CG 4.4Å; F59-E157 WeakPolarHBondContact CE1-OE2 3.19Å; F59-E157 HydrophobicContact CZ-CG 4.41Å
60H84.9Confident81.2Confident65 Ų6557.7 Ų57.730%0.30129%0.293SS..Hα-helixtrans-60.7-43.4175.1-78.478.8000111.3R56 T57 K63 I64R56-H60 WeakPolarHBondContact O-CB 3.44Å; R56-H60 PolarHBondContact O-N 2.94Å; R56-H60 PolarHBondContact O-ND1 3.02Å; T57-H60 CarbonylContact O-C 3.59Å; T57-H60 PolarHBondContact O-N 3.33Å; H60-K63 PolarHBondContact O-N 2.95Å; H60-I64 WeakPolarHBondContact O-CB 3.31Å; H60-I64 WeakPolarHBondContact O-CD1 3.36Å; H60-I64 VanDerWaalsContact O-CG1 3.22Å; H60-I64 WeakPolarHBondContact O-CG1 3.29Å; H60-I64 PolarHBondContact O-N 3Å
61E85.3Confident79.8Confident101 Ų10159.1 Ų59.147%0.47231%0.309SS..Hα-helixtrans-57.4-56.9172.4-70.4167.7160.300110.6T57 R58 F59 K63 I64 D65T57-E61 HydrophobicContact CG2-CG 4.14Å; T57-E61 WeakPolarHBondContact CG2-OE1 3.28Å; T57-E61 WeakPolarHBondContact O-CB 3.3Å; T57-E61 VanDerWaalsContact O-CG 3.32Å; T57-E61 WeakPolarHBondContact O-CG 3.22Å; T57-E61 PolarHBondContact O-N 3.27Å; R58-E61 WeakPolarHBondContact CA-OE2 3.37Å; F59-E61 VanDerWaalsContact C-N 3.34Å; F59-E61 PolarHBondContact O-N 3.09Å; E61-K63 VanDerWaalsContact C-N 3.25Å; E61-K63 PolarHBondContact O-N 3.29Å; E61-I64 PolarHBondContact O-N 3.42Å; E61-D65 VanDerWaalsContact O-CG 3.26Å; E61-D65 PolarHBondContact O-N 2.81Å
62C82.9Confident78.2Confident6 Ų667.1 Ų67.14%0.04135%0.347CS..Hα-helixtrans-65.5-25.7-179-66.80000113.7R58 F59 L66 K80 I81 L84R58-C62 WeakPolarHBondContact O-CB 3.3Å; R58-C62 PolarHBondContact O-N 3.06Å; R58-C62 PolarHBondContact O-SG 2.8Å; F59-C62 PolarHBondContact O-N 3.12Å; C62-L66 WeakPolarHBondContact O-CB 3.44Å; C62-L66 PolarHBondContact O-N 2.86Å; C62-K80 WeakPolarHBondContact SG-CE 3.35Å; C62-K80 PolarHBondContact SG-NZ 3.48Å; C62-I81 HydrophobicContact CB-CD1 4.47Å; C62-I81 HydrophobicContact CB-CG1 4.04Å; C62-L84 HydrophobicContact CB-CD1 4.31Å
63K82.6Confident77Confident66 Ų6669.2 Ų69.229%0.28736%0.362SS..Hα-helixtrans-72.3-46.2174.4-178.4-178.7175.6-1740110.6F59 H60 E61 D65 L66 E67 E157F59-K63 HydrophobicContact CZ-CD 4.12Å; F59-K63 WeakPolarHBondContact O-CB 3.38Å; F59-K63 PolarHBondContact O-N 2.76Å; H60-K63 PolarHBondContact O-N 2.95Å; E61-K63 VanDerWaalsContact C-N 3.25Å; E61-K63 PolarHBondContact O-N 3.29Å; K63-D65 VanDerWaalsContact C-N 3.32Å; K63-D65 PolarHBondContact O-N 3.14Å; K63-L66 PolarHBondContact O-N 3.33Å; K63-L66 VanDerWaalsContact O-N 3.1Å; K63-E67 WeakPolarHBondContact CE-OE1 3.29Å; K63-E67 PolarHBondContact O-N 2.7Å; K63-E157 IonicContact NZ-OE1 3.24Å; K63-E157 PolarHBondContact NZ-OE1 2.82Å
64I81.9Confident76.1Confident100 Ų10071.2 Ų71.251%0.51337%0.373SS..Hα-helixtrans-62.1-40.3173.6-67.4163.6000110.7H60 E61 L66 E67 T68H60-I64 WeakPolarHBondContact O-CB 3.31Å; H60-I64 WeakPolarHBondContact O-CD1 3.36Å; H60-I64 VanDerWaalsContact O-CG1 3.22Å; H60-I64 WeakPolarHBondContact O-CG1 3.29Å; H60-I64 PolarHBondContact O-N 3Å; E61-I64 PolarHBondContact O-N 3.42Å; I64-L66 PolarHBondContact O-N 2.85Å; I64-E67 PolarHBondContact O-N 3.4Å; I64-T68 WeakPolarHBondContact O-CB 3.33Å; I64-T68 WeakPolarHBondContact O-CG2 3.42Å; I64-T68 PolarHBondContact O-N 3Å; I64-T68 PolarHBondContact O-OG1 3.48Å
65D78.4Confident75.5Confident78 Ų7871.9 Ų71.942%0.41738%0.384SS..Hα-helixtrans-62.3-26.2174.7-69-21.9000113.3E61 K63 T68 S69E61-D65 VanDerWaalsContact O-CG 3.26Å; E61-D65 PolarHBondContact O-N 2.81Å; K63-D65 VanDerWaalsContact C-N 3.32Å; K63-D65 PolarHBondContact O-N 3.14Å; D65-T68 PolarHBondContact O-OG1 2.95Å; D65-S69 WeakPolarHBondContact O-CB 3.36Å; D65-S69 PolarHBondContact O-OG 3.38Å
66L74.5Confident74.8Confident53 Ų5379.3 Ų79.328%0.27742%0.419SS..Hα-helixtrans-86.6-39.8179.5-159.6162000110.9C62 K63 I64 T68 R77 E78 I81C62-L66 WeakPolarHBondContact O-CB 3.44Å; C62-L66 PolarHBondContact O-N 2.86Å; K63-L66 PolarHBondContact O-N 3.33Å; K63-L66 VanDerWaalsContact O-N 3.1Å; I64-L66 PolarHBondContact O-N 2.85Å; L66-T68 PolarHBondContact O-N 3.47Å; L66-T68 VanDerWaalsContact O-N 3.15Å; L66-R77 HydrophobicContact CD1-CB 3.92Å; L66-R77 HydrophobicContact CG-CB 4.4Å; L66-E78 HydrophobicContact CD1-CG 3.99Å; L66-I81 HydrophobicContact CB-CD1 4.5Å; L66-I81 HydrophobicContact CD1-CD1 3.62Å
67E73.6Confident74.3Confident142 Ų14282.1 Ų82.166%0.66443%0.43SS*.Hα-helixtrans-66-9.8173.8-70.2175.2-163.900113.8K63 I64K63-E67 WeakPolarHBondContact CE-OE1 3.29Å; K63-E67 PolarHBondContact O-N 2.7Å; I64-E67 PolarHBondContact O-N 3.4Å
68T72.3Confident73.9Confident102 Ų10286.2 Ų86.263%0.62645%0.447SS*.THydrogen-bonded Turntrans-117.3-0.9-174.451.80000115.6I64 D65 L66I64-T68 WeakPolarHBondContact O-CB 3.33Å; I64-T68 WeakPolarHBondContact O-CG2 3.42Å; I64-T68 PolarHBondContact O-N 3Å; I64-T68 PolarHBondContact O-OG1 3.48Å; D65-T68 PolarHBondContact O-OG1 2.95Å; L66-T68 PolarHBondContact O-N 3.47Å; L66-T68 VanDerWaalsContact O-N 3.15Å
69S59.4Low73.6Confident46 Ų4686.3 Ų86.332%0.32246%0.455SS..  trans-124.2109-170.7-60.40000114D65D65-S69 WeakPolarHBondContact O-CB 3.36Å; D65-S69 PolarHBondContact O-OG 3.38Å
70D54Low73.5Confident161 Ų16190.6 Ų90.686%0.86147%0.474SS*.  trans-75.2146165.1-82.2-47000112.1
71S56.9Low73.5Confident92 Ų9287.9 Ų87.964%0.64346%0.462SS*.SBendtrans82137.3167.277.40000120.9S73S71-S73 PolarHBondContact O-N 3.13Å; S71-S73 PolarHBondContact O-OG 2.9Å
72E54.9Low73.4Confident203 Ų20386.3 Ų86.395%0.94945%0.454SS*.SBendtrans45.8-24.7166.6-62.7-162.8143.400121.6
73S62.2Low73.6Confident47 Ų4791.8 Ų91.833%0.32948%0.481SS..  trans-110.123.1-170.755.10000113.9S71 R77S71-S73 PolarHBondContact O-N 3.13Å; S71-S73 PolarHBondContact O-OG 2.9Å; S73-R77 VanDerWaalsContact CB-NH1 3.28Å; S73-R77 PolarHBondContact O-NH1 2.76Å; S73-R77 PolarHBondContact OG-NH1 3.21Å
74V70.6Confident73.9Confident56 Ų5689.5 Ų89.534%0.33947%0.472SS..Hα-helixtrans-71.3-51.4-177.8-178.10000111.4E76 R77 E78V74-E76 VanDerWaalsContact C-N 3.27Å; V74-E76 PolarHBondContact O-N 3.34Å; V74-E76 VanDerWaalsContact O-N 3.15Å; V74-R77 WeakPolarHBondContact O-CA 3.32Å; V74-R77 WeakPolarHBondContact O-CB 3.49Å; V74-R77 PolarHBondContact O-N 2.98Å; V74-E78 HydrophobicContact CG1-CG 4.04Å; V74-E78 PolarHBondContact O-N 3.38Å
75A74.1Confident74.2Confident58 Ų5884.9 Ų84.948%0.47945%0.448SS..Hα-helixtrans-59.6-31.8-173.700000114.2E78 N79A75-E78 WeakPolarHBondContact CA-OE2 3.38Å; A75-N79 WeakPolarHBondContact O-CB 3.23Å; A75-N79 PolarHBondContact O-N 3.06Å; A75-N79 PolarHBondContact O-ND2 3.24Å
76E73.6Confident74.5Confident157 Ų15784.1 Ų84.173%0.73445%0.448SS*.Hα-helixtrans-71.7-35.9174.8-64.2-168147.400112.1V74 K80V74-E76 VanDerWaalsContact C-N 3.27Å; V74-E76 PolarHBondContact O-N 3.34Å; V74-E76 VanDerWaalsContact O-N 3.15Å; E76-K80 WeakPolarHBondContact O-CB 3.42Å; E76-K80 PolarHBondContact O-N 3.49Å
77R74.3Confident75.3Confident69 Ų6984.7 Ų84.726%0.2645%0.45SS..Hα-helixtrans-69.6-39.2172.8-68.2179.6178.576.3-15.4111.6L66 S73 V74 K80 I81L66-R77 HydrophobicContact CD1-CB 3.92Å; L66-R77 HydrophobicContact CG-CB 4.4Å; S73-R77 VanDerWaalsContact CB-NH1 3.28Å; S73-R77 PolarHBondContact O-NH1 2.76Å; S73-R77 PolarHBondContact OG-NH1 3.21Å; V74-R77 WeakPolarHBondContact O-CA 3.32Å; V74-R77 WeakPolarHBondContact O-CB 3.49Å; V74-R77 PolarHBondContact O-N 2.98Å; R77-K80 WeakPolarHBondContact O-CB 3.25Å; R77-K80 PolarHBondContact O-N 3.42Å; R77-I81 WeakPolarHBondContact O-CB 3.34Å; R77-I81 WeakPolarHBondContact O-CG1 3.34Å; R77-I81 PolarHBondContact O-N 3.13Å
78E79.8Confident76Confident104 Ų10478 Ų7849%0.48642%0.418SS..Hα-helixtrans-61.1-48.2174.7-68.4175.7138.100111.4L66 V74 A75 K80 I81 E82L66-E78 HydrophobicContact CD1-CG 3.99Å; V74-E78 HydrophobicContact CG1-CG 4.04Å; V74-E78 PolarHBondContact O-N 3.38Å; A75-E78 WeakPolarHBondContact CA-OE2 3.38Å; E78-K80 VanDerWaalsContact C-N 3.31Å; E78-K80 PolarHBondContact O-N 2.74Å; E78-I81 PolarHBondContact O-N 3.27Å; E78-I81 VanDerWaalsContact O-N 3.14Å; E78-E82 PolarHBondContact O-N 2.75Å
79N82.5Confident76.7Confident99 Ų9976.5 Ų76.553%0.52940%0.401SS..Hα-helixtrans-59.6-40.1173.8-85.7-94.3000112.1A75 E82 M83A75-N79 WeakPolarHBondContact O-CB 3.23Å; A75-N79 PolarHBondContact O-N 3.06Å; A75-N79 PolarHBondContact O-ND2 3.24Å; N79-E82 PolarHBondContact O-N 3.28Å; N79-M83 WeakPolarHBondContact O-CG 3.36Å; N79-M83 PolarHBondContact O-N 2.86Å
80K84.6Confident78.1Confident97 Ų9777.1 Ų77.142%0.42240%0.399SS..Hα-helixtrans-61.6-45.9174.5-168.9-178.1-179.6-167.10110.5C62 E76 R77 E78 M83 L84C62-K80 WeakPolarHBondContact SG-CE 3.35Å; C62-K80 PolarHBondContact SG-NZ 3.48Å; E76-K80 WeakPolarHBondContact O-CB 3.42Å; E76-K80 PolarHBondContact O-N 3.49Å; R77-K80 WeakPolarHBondContact O-CB 3.25Å; R77-K80 PolarHBondContact O-N 3.42Å; E78-K80 VanDerWaalsContact C-N 3.31Å; E78-K80 PolarHBondContact O-N 2.74Å; K80-M83 PolarHBondContact O-N 3.11Å; K80-L84 HydrophobicContact CG-CD1 4.08Å; K80-L84 WeakPolarHBondContact O-CB 3.25Å; K80-L84 WeakPolarHBondContact O-CG 3.39Å; K80-L84 PolarHBondContact O-N 3.3Å
81I84.7Confident79.9Confident9 Ų969.6 Ų69.65%0.04636%0.359CS..Hα-helixtrans-62.6-43.3177-74.3168.2000111.9F59 C62 L66 R77 E78 M83 L84 L85 F161F59-I81 HydrophobicContact CD2-CG2 3.99Å; F59-I81 HydrophobicContact CE2-CG2 3.83Å; C62-I81 HydrophobicContact CB-CD1 4.47Å; C62-I81 HydrophobicContact CB-CG1 4.04Å; L66-I81 HydrophobicContact CB-CD1 4.5Å; L66-I81 HydrophobicContact CD1-CD1 3.62Å; R77-I81 WeakPolarHBondContact O-CB 3.34Å; R77-I81 WeakPolarHBondContact O-CG1 3.34Å; R77-I81 PolarHBondContact O-N 3.13Å; E78-I81 PolarHBondContact O-N 3.27Å; E78-I81 VanDerWaalsContact O-N 3.14Å; I81-M83 PolarHBondContact O-N 2.96Å; I81-L84 PolarHBondContact O-N 3.11Å; I81-L85 HydrophobicContact CG2-CD1 3.83Å; I81-L85 HydrophobicContact CG2-CG 4.42Å; I81-L85 WeakPolarHBondContact O-CB 3.45Å; I81-L85 WeakPolarHBondContact O-CG 3.29Å; I81-L85 PolarHBondContact O-N 3.33Å; I81-F161 HydrophobicContact CG2-CE2 3.94Å; I81-F161 HydrophobicContact CG2-CZ 3.77Å
82E84.4Confident81.4Confident67 Ų6765.7 Ų65.731%0.31333%0.33SS..Hα-helixtrans-60-44.5176.1-170.5-175.4178.400111.4E78 N79 L85 S86 K169E78-E82 PolarHBondContact O-N 2.75Å; N79-E82 PolarHBondContact O-N 3.28Å; E82-L85 PolarHBondContact O-N 2.79Å; E82-S86 WeakPolarHBondContact O-CB 3.45Å; E82-S86 PolarHBondContact O-N 3.39Å; E82-K169 IonicContact OE1-NZ 2.7Å; E82-K169 PolarHBondContact OE1-NZ 2.82Å; E82-K169 IonicContact OE2-NZ 2.88Å
83M87Confident83.1Confident122 Ų12261.5 Ų61.560%0.60131%0.306SS*.Hα-helixtrans-60.7-49.8174.4-73.3-162.8-57.600111.9N79 K80 I81 L85 S86 E87N79-M83 WeakPolarHBondContact O-CG 3.36Å; N79-M83 PolarHBondContact O-N 2.86Å; K80-M83 PolarHBondContact O-N 3.11Å; I81-M83 PolarHBondContact O-N 2.96Å; M83-L85 PolarHBondContact O-N 2.75Å; M83-S86 WeakPolarHBondContact O-CB 3.3Å; M83-S86 PolarHBondContact O-N 3.28Å; M83-S86 VanDerWaalsContact O-N 3.08Å; M83-S86 PolarHBondContact O-OG 2.88Å; M83-E87 PolarHBondContact O-N 3.33Å
84L88.5Confident84.4Confident18 Ų1861.9 Ų61.99%0.09430%0.3CS..Hα-helixtrans-59.6-45.6-179.7-66.8170.4000110.5V55 R58 F59 C62 K80 I81 S86 E87 C88V55-L84 HydrophobicContact CB-CD2 4.47Å; V55-L84 VanDerWaalsContact CG1-C 3.5Å; V55-L84 VanDerWaalsContact CG1-CA 3.41Å; V55-L84 HydrophobicContact CG1-CB 3.48Å; V55-L84 VanDerWaalsContact CG1-CB 3.48Å; V55-L84 HydrophobicContact CG1-CD2 3.6Å; V55-L84 HydrophobicContact CG1-CG 4.08Å; V55-L84 WeakPolarHBondContact CG1-O 3.35Å; V55-L84 HydrophobicContact CG2-CD2 4.32Å; R58-L84 HydrophobicContact CB-CD1 4.19Å; R58-L84 HydrophobicContact CB-CD2 4.08Å; F59-L84 HydrophobicContact CB-CB 4.37Å; C62-L84 HydrophobicContact CB-CD1 4.31Å; K80-L84 HydrophobicContact CG-CD1 4.08Å; K80-L84 WeakPolarHBondContact O-CB 3.25Å; K80-L84 WeakPolarHBondContact O-CG 3.39Å; K80-L84 PolarHBondContact O-N 3.3Å; I81-L84 PolarHBondContact O-N 3.11Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 3.33Å; L84-E87 PolarHBondContact O-N 3.27Å; L84-E87 VanDerWaalsContact O-N 3.14Å; L84-C88 PolarHBondContact O-N 3.38Å; L84-C88 PolarHBondContact O-SG 3.11Å
85L86.9Confident85.4Confident2 Ų260.1 Ų60.11%0.0129%0.287CS..Hα-helixtrans-65.1-29.8174.7-74.5170.5000113.7F59 I81 E82 M83 R89 E158 F161F59-L85 HydrophobicContact CD1-CD2 4.46Å; F59-L85 HydrophobicContact CD2-CD1 4.31Å; F59-L85 HydrophobicContact CD2-CD2 3.94Å; F59-L85 HydrophobicContact CD2-CG 3.85Å; F59-L85 HydrophobicContact CE1-CD2 4.24Å; F59-L85 HydrophobicContact CE2-CD1 3.77Å; F59-L85 HydrophobicContact CE2-CD2 3.71Å; F59-L85 HydrophobicContact CE2-CG 3.74Å; F59-L85 HydrophobicContact CG-CD2 4.32Å; F59-L85 HydrophobicContact CZ-CD1 4.42Å; F59-L85 HydrophobicContact CZ-CD2 3.87Å; F59-L85 HydrophobicContact CZ-CG 4.4Å; I81-L85 HydrophobicContact CG2-CD1 3.83Å; I81-L85 HydrophobicContact CG2-CG 4.42Å; I81-L85 WeakPolarHBondContact O-CB 3.45Å; I81-L85 WeakPolarHBondContact O-CG 3.29Å; I81-L85 PolarHBondContact O-N 3.33Å; E82-L85 PolarHBondContact O-N 2.79Å; M83-L85 PolarHBondContact O-N 2.75Å; L85-R89 WeakPolarHBondContact O-CG 3.36Å; L85-R89 PolarHBondContact O-N 2.95Å; L85-R89 PolarHBondContact O-NE 3.05Å; L85-E158 HydrophobicContact CD2-CG 3.91Å; L85-F161 HydrophobicContact CD1-CB 3.86Å; L85-F161 HydrophobicContact CD1-CD1 3.49Å; L85-F161 VanDerWaalsContact CD1-CD1 3.49Å; L85-F161 HydrophobicContact CD1-CD2 3.59Å; L85-F161 HydrophobicContact CD1-CE1 3.86Å; L85-F161 HydrophobicContact CD1-CE2 3.96Å; L85-F161 HydrophobicContact CD1-CG 3.35Å; L85-F161 HydrophobicContact CD1-CZ 4.08Å
86S86.7Confident86.1Confident62 Ų6258.6 Ų58.643%0.43427%0.271SS..Hα-helixtrans-68.2-36.3172.781.90000112.2E82 M83 L84 E90E82-S86 WeakPolarHBondContact O-CB 3.45Å; E82-S86 PolarHBondContact O-N 3.39Å; M83-S86 WeakPolarHBondContact O-CB 3.3Å; M83-S86 PolarHBondContact O-N 3.28Å; M83-S86 VanDerWaalsContact O-N 3.08Å; M83-S86 PolarHBondContact O-OG 2.88Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 3.33Å; S86-E90 PolarHBondContact O-N 2.88Å; S86-E90 VanDerWaalsContact O-N 3.17Å
87E89.4Confident86.8Confident66 Ų6654.8 Ų54.831%0.30825%0.253SS..Hα-helixtrans-76.2-37.4179.7-173.1162.3-137.200111.9V55 M83 L84 E90 L91V55-E87 HydrophobicContact CG1-CB 4.33Å; V55-E87 HydrophobicContact CG2-CG 4.25Å; M83-E87 PolarHBondContact O-N 3.33Å; L84-E87 PolarHBondContact O-N 3.27Å; L84-E87 VanDerWaalsContact O-N 3.14Å; E87-E90 PolarHBondContact O-N 2.6Å; E87-L91 HydrophobicContact CG-CD1 3.87Å; E87-L91 WeakPolarHBondContact O-CB 3.49Å; E87-L91 PolarHBondContact O-N 2.82Å
88C89.6Confident87.6Confident0 Ų052.6 Ų52.60%025%0.246CC..Hα-helixtrans-54.9-51.5167.5-72.80000111.7L52 L84 E90 L91 R92 E158L52-C88 WeakPolarHBondContact CD1-O 3.29Å; L84-C88 PolarHBondContact O-N 3.38Å; L84-C88 PolarHBondContact O-SG 3.11Å; C88-E90 PolarHBondContact O-N 3.39Å; C88-L91 PolarHBondContact O-N 3.42Å; C88-R92 WeakPolarHBondContact O-CB 3.12Å; C88-R92 PolarHBondContact O-N 3.02Å; C88-E158 HydrophobicContact CB-CG 4.49Å; C88-E158 WeakPolarHBondContact CB-OE1 3.41Å
89R86.8Confident87.7Confident71 Ų7149.7 Ų49.727%0.26823%0.232SC..Hα-helixtrans-60-44.3-179.3-76.7174.5-73.2171.7-5.1112.5L85 R93 E158 E162L85-R89 WeakPolarHBondContact O-CG 3.36Å; L85-R89 PolarHBondContact O-N 2.95Å; L85-R89 PolarHBondContact O-NE 3.05Å; R89-R93 WeakPolarHBondContact O-CB 3.3Å; R89-R93 PolarHBondContact O-N 2.7Å; R89-E158 HydrophobicContact CG-CB 4.14Å; R89-E158 HydrophobicContact CG-CG 4.24Å; R89-E158 VanDerWaalsContact CG-OE2 3.31Å; R89-E158 WeakPolarHBondContact CG-OE2 3.48Å; R89-E162 IonicContact CZ-OE2 3.19Å; R89-E162 IonicContact NH1-OE2 3.18Å; R89-E162 PolarHBondContact NH1-OE2 3.34Å
90E89.3Confident87.6Confident59 Ų5946.5 Ų46.528%0.27622%0.219SC..Hα-helixtrans-67.7-39.8179.2170.359.7-179.800112.7S86 E87 C88 R93 R94S86-E90 PolarHBondContact O-N 2.88Å; S86-E90 VanDerWaalsContact O-N 3.17Å; E87-E90 PolarHBondContact O-N 2.6Å; C88-E90 PolarHBondContact O-N 3.39Å; E90-R93 WeakPolarHBondContact O-CB 3.45Å; E90-R93 PolarHBondContact O-N 2.88Å; E90-R93 IonicContact OE1-CZ 2.8Å; E90-R93 IonicContact OE1-NH2 2.76Å; E90-R93 PolarHBondContact OE1-NH2 3.14Å; E90-R93 IonicContact OE2-CZ 2.67Å; E90-R93 IonicContact OE2-NE 3.28Å; E90-R93 PolarHBondContact OE2-NE 3.09Å; E90-R93 IonicContact OE2-NH2 3.91Å; E90-R93 PolarHBondContact OE2-NH2 2.95Å; E90-R94 WeakPolarHBondContact O-CG 3.09Å; E90-R94 PolarHBondContact O-N 2.83Å; E90-R94 IonicContact OE1-CZ 3.83Å; E90-R94 IonicContact OE1-NE 3.15Å; E90-R94 PolarHBondContact OE1-NE 2.73Å; E90-R94 IonicContact OE1-NH2 2.65Å; E90-R94 PolarHBondContact OE1-NH2 2.79Å
91L90.2Very high87.8Confident3 Ų345.8 Ų45.82%0.01622%0.216CC..Hα-helixtrans-79.6-27.8179.3-79.5152.7000112.7Y48 Q51 E87 C88 R93 R94 R95Y48-L91 HydrophobicContact CD1-CD2 3.59Å; Y48-L91 HydrophobicContact CE1-CD2 4.09Å; Q51-L91 HydrophobicContact CB-CD2 4.07Å; Q51-L91 WeakPolarHBondContact O-CB 3.42Å; Q51-L91 WeakPolarHBondContact O-CD1 3.29Å; Q51-L91 WeakPolarHBondContact O-CG 3.21Å; E87-L91 HydrophobicContact CG-CD1 3.87Å; E87-L91 WeakPolarHBondContact O-CB 3.49Å; E87-L91 PolarHBondContact O-N 2.82Å; C88-L91 PolarHBondContact O-N 3.42Å; L91-R93 VanDerWaalsContact C-N 3.31Å; L91-R93 PolarHBondContact O-N 3.03Å; L91-R94 PolarHBondContact O-N 2.9Å; L91-R95 WeakPolarHBondContact O-CB 3.13Å; L91-R95 PolarHBondContact O-N 3.16Å
92R90.1Very high87.7Confident10 Ų1046.9 Ų46.94%0.03822%0.223CC..Hα-helixtrans-58.2-46.9166.9-177.8-172.6-69.6-86.9-1.1109.8L52 R56 C88 R95 N96 D151 D154 D155 E158L52-R92 HydrophobicContact CD1-CB 3.66Å; L52-R92 HydrophobicContact CD2-CB 4.07Å; L52-R92 HydrophobicContact CD2-CG 4.25Å; R56-R92 VanDerWaalsContact NH2-CZ 3.27Å; C88-R92 WeakPolarHBondContact O-CB 3.12Å; C88-R92 PolarHBondContact O-N 3.02Å; R92-R95 PolarHBondContact O-N 2.99Å; R92-N96 VanDerWaalsContact O-CB 3.3Å; R92-N96 WeakPolarHBondContact O-CB 3.42Å; R92-N96 PolarHBondContact O-N 3.05Å; R92-N96 PolarHBondContact O-ND2 3.14Å; R92-N96 PolarHBondContact O-OD1 3.21Å; R92-D151 PolarHBondContact NH1-O 2.9Å; R92-D154 PolarHBondContact NH2-O 2.83Å; R92-D155 WeakPolarHBondContact CD-OD2 3.44Å; R92-D155 VanDerWaalsContact CZ-CA 3.49Å; R92-D155 IonicContact CZ-OD2 3.05Å; R92-D155 IonicContact NE-OD2 2.75Å; R92-D155 IonicContact NH1-OD2 3.87Å; R92-D155 PolarHBondContact NH1-OD2 3.37Å; R92-E158 IonicContact CZ-OE1 2.88Å; R92-E158 IonicContact CZ-OE2 2.72Å; R92-E158 IonicContact NE-OE1 2.63Å; R92-E158 PolarHBondContact NE-OE1 3.27Å; R92-E158 IonicContact NE-OE2 3.21Å; R92-E158 PolarHBondContact NE-OE2 3.1Å; R92-E158 IonicContact NH2-OE1 3.22Å; R92-E158 PolarHBondContact NH2-OE1 2.92Å; R92-E158 IonicContact NH2-OE2 2.79Å; R92-E158 PolarHBondContact NH2-OE2 3.02Å
93R89.8Confident87.5Confident115 Ų11545.6 Ų45.643%0.43422%0.216SC..Hα-helixtrans-59.2-49.8175.1-171.3-175.467.486-5.6111.6R89 E90 L91 N96 E97R89-R93 WeakPolarHBondContact O-CB 3.3Å; R89-R93 PolarHBondContact O-N 2.7Å; E90-R93 WeakPolarHBondContact O-CB 3.45Å; E90-R93 PolarHBondContact O-N 2.88Å; E90-R93 IonicContact OE1-CZ 2.8Å; E90-R93 IonicContact OE1-NH2 2.76Å; E90-R93 PolarHBondContact OE1-NH2 3.14Å; E90-R93 IonicContact OE2-CZ 2.67Å; E90-R93 IonicContact OE2-NE 3.28Å; E90-R93 PolarHBondContact OE2-NE 3.09Å; E90-R93 IonicContact OE2-NH2 3.91Å; E90-R93 PolarHBondContact OE2-NH2 2.95Å; L91-R93 VanDerWaalsContact C-N 3.31Å; L91-R93 PolarHBondContact O-N 3.03Å; R93-N96 PolarHBondContact O-N 3.43Å; R93-E97 IonicContact CZ-OE1 3.64Å; R93-E97 IonicContact NH1-OE1 3.71Å; R93-E97 PolarHBondContact NH1-OE1 2.91Å; R93-E97 IonicContact NH1-OE2 3.7Å; R93-E97 WeakPolarHBondContact O-CB 3.5Å; R93-E97 WeakPolarHBondContact O-CG 3.33Å; R93-E97 PolarHBondContact O-N 3.13Å
94R90.6Very high87.4Confident55 Ų5543.7 Ų43.721%0.20821%0.208CC..Hα-helixtrans-63.4-41.4179.2-69.6-178.8-169.3179.58113.3Y48 E90 L91 E97 E98Y48-R94 HydrophobicContact CD1-CB 4.09Å; Y48-R94 HydrophobicContact CD2-CB 3.79Å; Y48-R94 HydrophobicContact CE1-CB 4.29Å; Y48-R94 HydrophobicContact CE2-CB 3.98Å; Y48-R94 HydrophobicContact CG-CB 3.86Å; E90-R94 WeakPolarHBondContact O-CG 3.09Å; E90-R94 PolarHBondContact O-N 2.83Å; E90-R94 IonicContact OE1-CZ 3.83Å; E90-R94 IonicContact OE1-NE 3.15Å; E90-R94 PolarHBondContact OE1-NE 2.73Å; E90-R94 IonicContact OE1-NH2 2.65Å; E90-R94 PolarHBondContact OE1-NH2 2.79Å; L91-R94 PolarHBondContact O-N 2.9Å; R94-E97 PolarHBondContact O-N 3.44Å; R94-E98 PolarHBondContact O-N 3.2Å; R94-E98 VanDerWaalsContact O-N 3.07Å
95R91.6Very high87.3Confident20 Ų2043.4 Ų43.48%0.07521%0.207CC..Hα-helixtrans-60.1-54.3173.5-172.6-158.266179.3-4.1110.5A49 L52 L91 R92 E97 E98 E99 D151A49-R95 HydrophobicContact CB-CG 4.19Å; L52-R95 VanDerWaalsContact CD2-NH1 3.35Å; L91-R95 WeakPolarHBondContact O-CB 3.13Å; L91-R95 PolarHBondContact O-N 3.16Å; R92-R95 PolarHBondContact O-N 2.99Å; R95-E97 PolarHBondContact O-N 3.36Å; R95-E98 PolarHBondContact O-N 3.04Å; R95-E98 VanDerWaalsContact O-N 3.15Å; R95-E99 WeakPolarHBondContact CD-OE1 3.43Å; R95-E99 HydrophobicContact CG-CG 4.32Å; R95-E99 WeakPolarHBondContact CG-OE1 3.48Å; R95-E99 IonicContact NE-OE1 3.89Å; R95-E99 WeakPolarHBondContact O-CB 3.49Å; R95-E99 PolarHBondContact O-N 2.75Å; R95-D151 IonicContact CZ-OD1 2.8Å; R95-D151 IonicContact CZ-OD2 2.73Å; R95-D151 VanDerWaalsContact CZ-OD2 3.29Å; R95-D151 IonicContact NH1-OD1 3.86Å; R95-D151 PolarHBondContact NH1-OD1 2.9Å; R95-D151 IonicContact NH1-OD2 3.98Å; R95-D151 PolarHBondContact NH1-OD2 3.35Å; R95-D151 IonicContact NH2-OD1 2.77Å; R95-D151 IonicContact NH2-OD2 2.72Å; R95-D151 PolarHBondContact NH2-OD2 3.24Å
96N87.5Confident87.2Confident25 Ų2546.9 Ų46.913%0.13423%0.225CC..Hα-helixtrans-59.8-34.9-179.3-67.1-8.7000111.8R92 R93 A100R92-N96 VanDerWaalsContact O-CB 3.3Å; R92-N96 WeakPolarHBondContact O-CB 3.42Å; R92-N96 PolarHBondContact O-N 3.05Å; R92-N96 PolarHBondContact O-ND2 3.14Å; R92-N96 PolarHBondContact O-OD1 3.21Å; R93-N96 PolarHBondContact O-N 3.43Å; N96-A100 WeakPolarHBondContact O-CB 3.2Å; N96-A100 PolarHBondContact O-N 2.66Å
97E89.3Confident87Confident77 Ų7748.6 Ų48.636%0.3623%0.226SC..Hα-helixtrans-68-42.9174.4-82-177.3-150.500113.7R93 R94 R95 K101R93-E97 IonicContact CZ-OE1 3.64Å; R93-E97 IonicContact NH1-OE1 3.71Å; R93-E97 PolarHBondContact NH1-OE1 2.91Å; R93-E97 IonicContact NH1-OE2 3.7Å; R93-E97 WeakPolarHBondContact O-CB 3.5Å; R93-E97 WeakPolarHBondContact O-CG 3.33Å; R93-E97 PolarHBondContact O-N 3.13Å; R94-E97 PolarHBondContact O-N 3.44Å; R95-E97 PolarHBondContact O-N 3.36Å; E97-K101 VanDerWaalsContact O-CD 3.26Å; E97-K101 WeakPolarHBondContact O-CD 3.45Å; E97-K101 WeakPolarHBondContact O-CE 3.12Å; E97-K101 WeakPolarHBondContact O-CG 3.48Å; E97-K101 PolarHBondContact O-N 3.08Å; E97-K101 VanDerWaalsContact O-N 3.16Å; E97-K101 IonicContact OE2-NZ 2.71Å
98E89.7Confident86.9Confident23 Ų2350.2 Ų50.211%0.10723%0.232CC..Hα-helixtrans-74.6-38.6177.8-69.4-58.2131.400112.2R39 L44 Y48 R94 R95 A100 K101 D102R39-E98 IonicContact CZ-OE2 3.35Å; R39-E98 IonicContact NH1-OE2 2.64Å; R39-E98 PolarHBondContact NH1-OE2 2.95Å; R39-E98 PolarHBondContact NH2-O 3.42Å; R39-E98 VanDerWaalsContact NH2-O 3.15Å; R39-E98 IonicContact NH2-OE2 3.65Å; R39-E98 PolarHBondContact NH2-OE2 3.32Å; L44-E98 HydrophobicContact CB-CB 4.47Å; L44-E98 HydrophobicContact CB-CG 3.95Å; Y48-E98 HydrophobicContact CD2-CB 4.44Å; Y48-E98 HydrophobicContact CD2-CG 3.85Å; Y48-E98 HydrophobicContact CE2-CG 3.89Å; R94-E98 PolarHBondContact O-N 3.2Å; R94-E98 VanDerWaalsContact O-N 3.07Å; R95-E98 PolarHBondContact O-N 3.04Å; R95-E98 VanDerWaalsContact O-N 3.15Å; E98-A100 VanDerWaalsContact C-N 3.35Å; E98-A100 PolarHBondContact O-N 2.97Å; E98-K101 WeakPolarHBondContact O-CB 3.31Å; E98-K101 PolarHBondContact O-N 3.05Å; E98-K101 VanDerWaalsContact O-N 3.17Å; E98-K101 WeakPolarHBondContact OE1-CD 3.27Å; E98-K101 IonicContact OE1-NZ 3.78Å; E98-K101 PolarHBondContact OE1-NZ 3.48Å; E98-D102 PolarHBondContact O-N 2.88Å
99E82.3Confident86.7Confident43 Ų4350.4 Ų50.420%0.20123%0.233CC..Hα-helixtrans-60.1-43170.3-75.7-173.7-162.700111.7R95 K101 D102 H103 S196R95-E99 WeakPolarHBondContact CD-OE1 3.43Å; R95-E99 HydrophobicContact CG-CG 4.32Å; R95-E99 WeakPolarHBondContact CG-OE1 3.48Å; R95-E99 IonicContact NE-OE1 3.89Å; R95-E99 WeakPolarHBondContact O-CB 3.49Å; R95-E99 PolarHBondContact O-N 2.75Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 2.77Å; E99-D102 PolarHBondContact O-N 2.99Å; E99-H103 VanDerWaalsContact O-CB 3.23Å; E99-H103 WeakPolarHBondContact O-CB 3.34Å; E99-H103 PolarHBondContact O-N 2.96Å; E99-S196 CarbonylContact C-O 3.52Å
100A81.2Confident86.6Confident32 Ų3249 Ų4926%0.26423%0.232SC..Hα-helixtrans-61.8-36.4175.300000112N96 E98 L104 S196N96-A100 WeakPolarHBondContact O-CB 3.2Å; N96-A100 PolarHBondContact O-N 2.66Å; E98-A100 VanDerWaalsContact C-N 3.35Å; E98-A100 PolarHBondContact O-N 2.97Å; A100-L104 WeakPolarHBondContact O-CB 3.43Å; A100-L104 PolarHBondContact O-N 3.15Å; A100-S196 PolarHBondContact N-O 3.08Å
101K88.1Confident86.5Confident82 Ų8248.9 Ų48.936%0.35724%0.238SC..Hα-helixtrans-67.6-41.9175.2-68.8158.2-152166.60111.4E97 E98 E99 L105E97-K101 VanDerWaalsContact O-CD 3.26Å; E97-K101 WeakPolarHBondContact O-CD 3.45Å; E97-K101 WeakPolarHBondContact O-CE 3.12Å; E97-K101 WeakPolarHBondContact O-CG 3.48Å; E97-K101 PolarHBondContact O-N 3.08Å; E97-K101 VanDerWaalsContact O-N 3.16Å; E97-K101 IonicContact OE2-NZ 2.71Å; E98-K101 WeakPolarHBondContact O-CB 3.31Å; E98-K101 PolarHBondContact O-N 3.05Å; E98-K101 VanDerWaalsContact O-N 3.17Å; E98-K101 WeakPolarHBondContact OE1-CD 3.27Å; E98-K101 IonicContact OE1-NZ 3.78Å; E98-K101 PolarHBondContact OE1-NZ 3.48Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 2.77Å; K101-L105 VanDerWaalsContact O-CB 3.25Å; K101-L105 WeakPolarHBondContact O-CB 3.46Å; K101-L105 PolarHBondContact O-N 2.95Å
102D82.7Confident86.4Confident33 Ų3349.4 Ų49.418%0.17624%0.241CC..Hα-helixtrans-69-46.4177-72.5-38.5000112.5R39 S45 E98 E99 L105 L106R39-D102 IonicContact CZ-OD1 3.62Å; R39-D102 VanDerWaalsContact CZ-OD1 3.27Å; R39-D102 IonicContact NE-OD1 3.19Å; R39-D102 PolarHBondContact NE-OD1 2.86Å; R39-D102 IonicContact NH2-OD1 3.2Å; R39-D102 PolarHBondContact NH2-OD1 2.93Å; R39-D102 IonicContact NH2-OD2 2.77Å; R39-D102 PolarHBondContact NH2-OD2 2.77Å; S45-D102 VanDerWaalsContact CB-OD2 3.3Å; S45-D102 WeakPolarHBondContact CB-OD2 3.42Å; S45-D102 PolarHBondContact OG-OD2 2.77Å; E98-D102 PolarHBondContact O-N 2.88Å; E99-D102 PolarHBondContact O-N 2.99Å; D102-L105 PolarHBondContact O-N 3.02Å; D102-L106 WeakPolarHBondContact O-CB 3.45Å; D102-L106 PolarHBondContact O-N 3.37Å
103H79.5Confident86.3Confident40 Ų4049.7 Ų49.719%0.18524%0.242CC..Hα-helixtrans-61.8-46.1176.4-177.2-158.3000110.9E99 L105 L106 Q107E99-H103 VanDerWaalsContact O-CB 3.23Å; E99-H103 WeakPolarHBondContact O-CB 3.34Å; E99-H103 PolarHBondContact O-N 2.96Å; H103-L105 VanDerWaalsContact C-N 3.32Å; H103-L105 PolarHBondContact O-N 2.93Å; H103-L106 PolarHBondContact O-N 3.13Å; H103-Q107 PolarHBondContact CE1-NE2 2.78Å; H103-Q107 PolarHBondContact NE2-NE2 3.45Å; H103-Q107 WeakPolarHBondContact O-CB 3.47Å; H103-Q107 VanDerWaalsContact O-CG 3.3Å; H103-Q107 WeakPolarHBondContact O-CG 3.32Å; H103-Q107 PolarHBondContact O-N 3.22Å
104L84.8Confident86.3Confident82 Ų8247.7 Ų47.743%0.42924%0.24SC..Hα-helixtrans-64.7-34175.9-178.361.8000112.4A100 K108A100-L104 WeakPolarHBondContact O-CB 3.43Å; A100-L104 PolarHBondContact O-N 3.15Å; L104-K108 HydrophobicContact CG-CD 4.22Å; L104-K108 WeakPolarHBondContact O-CB 3.21Å; L104-K108 WeakPolarHBondContact O-CD 3.32Å; L104-K108 WeakPolarHBondContact O-CG 3.13Å; L104-K108 PolarHBondContact O-N 3.42Å
105L86.5Confident86.2Confident12 Ų1245.7 Ų45.76%0.06323%0.234CC..Hα-helixtrans-70.8-44174.9179.356.2000111.8L32 V35 F36 K101 D102 H103 K108 I109L32-L105 HydrophobicContact CB-CD1 4.33Å; L32-L105 HydrophobicContact CD2-CD1 3.89Å; V35-L105 HydrophobicContact CB-CD1 4.5Å; V35-L105 HydrophobicContact CB-CD2 4.33Å; V35-L105 HydrophobicContact CG1-CD1 4.4Å; V35-L105 HydrophobicContact CG1-CD2 3.81Å; F36-L105 HydrophobicContact CB-CD2 3.91Å; F36-L105 HydrophobicContact CB-CG 4.28Å; K101-L105 VanDerWaalsContact O-CB 3.25Å; K101-L105 WeakPolarHBondContact O-CB 3.46Å; K101-L105 PolarHBondContact O-N 2.95Å; D102-L105 PolarHBondContact O-N 3.02Å; H103-L105 VanDerWaalsContact C-N 3.32Å; H103-L105 PolarHBondContact O-N 2.93Å; L105-K108 WeakPolarHBondContact O-CB 3.34Å; L105-K108 PolarHBondContact O-N 3.05Å; L105-K108 VanDerWaalsContact O-N 3.17Å; L105-I109 HydrophobicContact CD1-CD1 4.33Å; L105-I109 HydrophobicContact CG-CD1 4.28Å; L105-I109 WeakPolarHBondContact O-CG1 3.27Å; L105-I109 PolarHBondContact O-N 3.08Å
106L84.6Confident85.9Confident75 Ų7544.8 Ų44.839%0.39323%0.23SC..Hα-helixtrans-63.1-42.6174.6-176.161.5000111D102 H103 K108 I109 V110D102-L106 WeakPolarHBondContact O-CB 3.45Å; D102-L106 PolarHBondContact O-N 3.37Å; H103-L106 PolarHBondContact O-N 3.13Å; L106-K108 PolarHBondContact O-N 3.23Å; L106-I109 PolarHBondContact O-N 2.83Å; L106-V110 HydrophobicContact CD1-CG2 4.21Å; L106-V110 HydrophobicContact CG-CG2 4.42Å; L106-V110 WeakPolarHBondContact O-CB 3.23Å; L106-V110 VanDerWaalsContact O-CG2 3.32Å; L106-V110 WeakPolarHBondContact O-CG2 3.25Å; L106-V110 PolarHBondContact O-N 3.05Å
107Q83.8Confident85.8Confident98 Ų9846 Ų4646%0.45823%0.234SC..Hα-helixtrans-58.5-43.7170.6-76.8-174.99.700111.7H103 I109 V110 S111H103-Q107 PolarHBondContact CE1-NE2 2.78Å; H103-Q107 PolarHBondContact NE2-NE2 3.45Å; H103-Q107 WeakPolarHBondContact O-CB 3.47Å; H103-Q107 VanDerWaalsContact O-CG 3.3Å; H103-Q107 WeakPolarHBondContact O-CG 3.32Å; H103-Q107 PolarHBondContact O-N 3.22Å; Q107-I109 PolarHBondContact O-N 3.38Å; Q107-V110 PolarHBondContact O-N 3.27Å; Q107-S111 WeakPolarHBondContact O-CA 3.16Å; Q107-S111 WeakPolarHBondContact O-CB 3.46Å; Q107-S111 PolarHBondContact O-N 3.08Å
108K87.6Confident85.7Confident99 Ų9947.4 Ų47.443%0.4324%0.236SC..Hα-helixtrans-63-39.6175.6-77.4163.3-178.8168.30112.2L32 L104 L105 L106 T112L32-K108 HydrophobicContact CD1-CB 4.09Å; L32-K108 HydrophobicContact CD2-CB 4.16Å; L104-K108 HydrophobicContact CG-CD 4.22Å; L104-K108 WeakPolarHBondContact O-CB 3.21Å; L104-K108 WeakPolarHBondContact O-CD 3.32Å; L104-K108 WeakPolarHBondContact O-CG 3.13Å; L104-K108 PolarHBondContact O-N 3.42Å; L105-K108 WeakPolarHBondContact O-CB 3.34Å; L105-K108 PolarHBondContact O-N 3.05Å; L105-K108 VanDerWaalsContact O-N 3.17Å; L106-K108 PolarHBondContact O-N 3.23Å; K108-T112 VanDerWaalsContact O-CB 3.26Å; K108-T112 WeakPolarHBondContact O-CB 3.22Å; K108-T112 PolarHBondContact O-N 2.85Å; K108-T112 PolarHBondContact O-OG1 3.02Å
109I84.1Confident85.5Confident5 Ų547.1 Ų47.13%0.02624%0.235CC..Hα-helixtrans-65.5-51.8175.5-72.9170.3000110.9L29 L32 F36 L105 L106 Q107 S111 T112 W113 L132L29-I109 HydrophobicContact CD1-CG2 3.95Å; L32-I109 HydrophobicContact CB-CD1 4.34Å; L32-I109 HydrophobicContact CB-CG1 3.64Å; F36-I109 HydrophobicContact CB-CD1 3.53Å; F36-I109 HydrophobicContact CD1-CD1 4.42Å; F36-I109 HydrophobicContact CD2-CD1 4.38Å; F36-I109 HydrophobicContact CG-CD1 3.89Å; L105-I109 HydrophobicContact CD1-CD1 4.33Å; L105-I109 HydrophobicContact CG-CD1 4.28Å; L105-I109 WeakPolarHBondContact O-CG1 3.27Å; L105-I109 PolarHBondContact O-N 3.08Å; L106-I109 PolarHBondContact O-N 2.83Å; Q107-I109 PolarHBondContact O-N 3.38Å; I109-S111 PolarHBondContact O-N 3.43Å; I109-T112 PolarHBondContact O-N 3.34Å; I109-W113 WeakPolarHBondContact O-CB 3.45Å; I109-W113 PolarHBondContact O-N 3.4Å; I109-L132 HydrophobicContact CG2-CD1 4.2Å; I109-L132 HydrophobicContact CG2-CD2 3.75Å
110V84.6Confident85.6Confident41 Ų4146 Ų4625%0.24823%0.229CC..Hα-helixtrans-66-38.1-179.6173.70000111.2L106 Q107 W113 N114 L134L106-V110 HydrophobicContact CD1-CG2 4.21Å; L106-V110 HydrophobicContact CG-CG2 4.42Å; L106-V110 WeakPolarHBondContact O-CB 3.23Å; L106-V110 VanDerWaalsContact O-CG2 3.32Å; L106-V110 WeakPolarHBondContact O-CG2 3.25Å; L106-V110 PolarHBondContact O-N 3.05Å; Q107-V110 PolarHBondContact O-N 3.27Å; V110-W113 PolarHBondContact O-N 3.05Å; V110-N114 VanDerWaalsContact O-CB 3.26Å; V110-N114 WeakPolarHBondContact O-CB 3.44Å; V110-N114 PolarHBondContact O-N 3.07Å; V110-N114 PolarHBondContact O-ND2 2.88Å; V110-L134 HydrophobicContact CG2-CD1 4.09Å; V110-L134 HydrophobicContact CG2-CD2 4.19Å
111S87.3Confident85.6Confident57 Ų5752.6 Ų52.640%0.39925%0.252SS..Hα-helixtrans-65.3-47.3173.4-176.60000111.3Q107 I109 W113 N114 N115Q107-S111 WeakPolarHBondContact O-CA 3.16Å; Q107-S111 WeakPolarHBondContact O-CB 3.46Å; Q107-S111 PolarHBondContact O-N 3.08Å; I109-S111 PolarHBondContact O-N 3.43Å; S111-W113 VanDerWaalsContact C-N 3.3Å; S111-W113 PolarHBondContact O-N 3.35Å; S111-N114 CarbonylContact O-C 3.59Å; S111-N114 PolarHBondContact O-N 3.23Å; S111-N114 VanDerWaalsContact O-N 3.12Å; S111-N115 WeakPolarHBondContact O-CB 3.17Å; S111-N115 VanDerWaalsContact O-CG 3.27Å; S111-N115 PolarHBondContact O-N 3.23Å; S111-N115 PolarHBondContact O-ND2 2.89Å
112T87.8Confident85.2Confident13 Ų1354 Ų548%0.0827%0.267CS..Hα-helixtrans-61.1-39.2175.6-55.50000111.4L25 L29 L32 K108 I109 N115 I116L25-T112 HydrophobicContact CD2-CG2 4.36Å; L25-T112 WeakPolarHBondContact O-CG2 3.47Å; L29-T112 HydrophobicContact CB-CG2 3.98Å; L29-T112 HydrophobicContact CD1-CG2 4.46Å; L32-T112 WeakPolarHBondContact CD1-OG1 3.31Å; K108-T112 VanDerWaalsContact O-CB 3.26Å; K108-T112 WeakPolarHBondContact O-CB 3.22Å; K108-T112 PolarHBondContact O-N 2.85Å; K108-T112 PolarHBondContact O-OG1 3.02Å; I109-T112 PolarHBondContact O-N 3.34Å; T112-N115 WeakPolarHBondContact O-CB 3.19Å; T112-N115 PolarHBondContact O-N 2.85Å; T112-I116 HydrophobicContact CG2-CD1 4.34Å; T112-I116 WeakPolarHBondContact O-CD1 3.37Å; T112-I116 VanDerWaalsContact O-CG1 3.3Å; T112-I116 WeakPolarHBondContact O-CG1 3.3Å; T112-I116 PolarHBondContact O-N 2.84Å
113W90Very high85.1Confident17 Ų1754.1 Ų54.16%0.06427%0.267CS..Hα-helixtrans-70-36.2173.5-179.3-123.7000113.4L29 I109 V110 S111 N115 I116 K117 F130 L132L29-W113 HydrophobicContact CD1-CB 4.47Å; L29-W113 HydrophobicContact CD2-CE3 3.96Å; I109-W113 WeakPolarHBondContact O-CB 3.45Å; I109-W113 PolarHBondContact O-N 3.4Å; V110-W113 PolarHBondContact O-N 3.05Å; S111-W113 VanDerWaalsContact C-N 3.3Å; S111-W113 PolarHBondContact O-N 3.35Å; W113-N115 VanDerWaalsContact C-N 3.33Å; W113-I116 HydrophobicContact CE3-CB 4.06Å; W113-I116 HydrophobicContact CE3-CD1 4.05Å; W113-I116 HydrophobicContact CE3-CG2 3.96Å; W113-I116 HydrophobicContact CZ3-CB 4.42Å; W113-I116 HydrophobicContact CZ3-CG2 3.8Å; W113-I116 PolarHBondContact O-N 2.7Å; W113-K117 HydrophobicContact CD2-CG 4.39Å; W113-K117 HydrophobicContact CZ2-CD 4.48Å; W113-K117 HydrophobicContact CZ2-CG 4.29Å; W113-K117 WeakPolarHBondContact O-CB 3.42Å; W113-K117 WeakPolarHBondContact O-CG 3.4Å; W113-K117 PolarHBondContact O-N 2.85Å; W113-F130 WeakPolarHBondContact CH2-O 3.17Å; W113-L132 HydrophobicContact CB-CB 4.36Å; W113-L132 HydrophobicContact CB-CD2 3.64Å; W113-L132 HydrophobicContact CD2-CB 3.59Å; W113-L132 HydrophobicContact CD2-CD2 4.48Å; W113-L132 HydrophobicContact CE3-CB 4.06Å; W113-L132 HydrophobicContact CG-CB 3.72Å; W113-L132 HydrophobicContact CG-CD2 3.7Å; W113-L132 HydrophobicContact CG-CG 4.34Å; W113-L132 HydrophobicContact CZ2-CB 4.33Å
114N88.3Confident84.8Confident72 Ų7261.1 Ų61.139%0.38529%0.291SS..Hα-helixtrans-66.5-35.7172.1-75.5-20.1000111.4V110 S111 K117 R118V110-N114 VanDerWaalsContact O-CB 3.26Å; V110-N114 WeakPolarHBondContact O-CB 3.44Å; V110-N114 PolarHBondContact O-N 3.07Å; V110-N114 PolarHBondContact O-ND2 2.88Å; S111-N114 CarbonylContact O-C 3.59Å; S111-N114 PolarHBondContact O-N 3.23Å; S111-N114 VanDerWaalsContact O-N 3.12Å; N114-K117 PolarHBondContact O-N 2.84Å; N114-K117 WeakPolarHBondContact OD1-CE 3.21Å; N114-K117 PolarHBondContact OD1-NZ 2.99Å; N114-R118 VanDerWaalsContact O-CB 3.23Å; N114-R118 WeakPolarHBondContact O-CB 3.47Å; N114-R118 PolarHBondContact O-N 2.97Å
115N89.5Confident84.1Confident14 Ų1457.8 Ų57.88%0.07527%0.273CS..Hα-helixtrans-63.8-44.9171.3-75.3-28.4000111.5L25 S111 T112 W113 R118 L119 F334L25-N115 HydrophobicContact CD1-CB 4.32Å; L25-N115 HydrophobicContact CD2-CB 4.25Å; S111-N115 WeakPolarHBondContact O-CB 3.17Å; S111-N115 VanDerWaalsContact O-CG 3.27Å; S111-N115 PolarHBondContact O-N 3.23Å; S111-N115 PolarHBondContact O-ND2 2.89Å; T112-N115 WeakPolarHBondContact O-CB 3.19Å; T112-N115 PolarHBondContact O-N 2.85Å; W113-N115 VanDerWaalsContact C-N 3.33Å; N115-R118 PolarHBondContact O-N 2.9Å; N115-L119 VanDerWaalsContact O-CB 3.3Å; N115-L119 WeakPolarHBondContact O-CB 3.46Å; N115-L119 PolarHBondContact O-N 3.49Å; N115-F334 HydrophobicContact CB-CB 4.23Å; N115-F334 HydrophobicContact CB-CD1 3.53Å; N115-F334 HydrophobicContact CB-CE1 4.29Å; N115-F334 HydrophobicContact CB-CG 4.21Å; N115-F334 PolarHBondContact ND2-O 3.03Å
116I85.7Confident83.3Confident0 Ų059.8 Ų59.80%029%0.286CS..Hα-helixtrans-60.3-46.9172.5-68.4158.6000110.9E22 L25 L29 T112 W113 R118 L119 R120E22-I116 HydrophobicContact CG-CG2 4.34Å; L25-I116 HydrophobicContact CB-CD1 4.11Å; L25-I116 HydrophobicContact CB-CG1 3.56Å; L25-I116 HydrophobicContact CD1-CG1 4.27Å; L29-I116 HydrophobicContact CB-CD1 4.16Å; L29-I116 HydrophobicContact CD2-CD1 3.8Å; T112-I116 HydrophobicContact CG2-CD1 4.34Å; T112-I116 WeakPolarHBondContact O-CD1 3.37Å; T112-I116 VanDerWaalsContact O-CG1 3.3Å; T112-I116 WeakPolarHBondContact O-CG1 3.3Å; T112-I116 PolarHBondContact O-N 2.84Å; W113-I116 HydrophobicContact CE3-CB 4.06Å; W113-I116 HydrophobicContact CE3-CD1 4.05Å; W113-I116 HydrophobicContact CE3-CG2 3.96Å; W113-I116 HydrophobicContact CZ3-CB 4.42Å; W113-I116 HydrophobicContact CZ3-CG2 3.8Å; W113-I116 PolarHBondContact O-N 2.7Å; I116-R118 PolarHBondContact O-N 2.78Å; I116-L119 PolarHBondContact O-N 2.81Å; I116-R120 HydrophobicContact CG2-CG 4.41Å; I116-R120 WeakPolarHBondContact O-CB 3.36Å; I116-R120 VanDerWaalsContact O-CG 3.24Å; I116-R120 WeakPolarHBondContact O-CG 3.21Å; I116-R120 PolarHBondContact O-N 3.41Å
117K84.8Confident82.8Confident50 Ų5057 Ų5722%0.21727%0.272CS..Hα-helixtrans-63.1-39.8176-74.6-175.3-66170.40112.5W113 N114 K121 A205W113-K117 HydrophobicContact CD2-CG 4.39Å; W113-K117 HydrophobicContact CZ2-CD 4.48Å; W113-K117 HydrophobicContact CZ2-CG 4.29Å; W113-K117 WeakPolarHBondContact O-CB 3.42Å; W113-K117 WeakPolarHBondContact O-CG 3.4Å; W113-K117 PolarHBondContact O-N 2.85Å; N114-K117 PolarHBondContact O-N 2.84Å; N114-K117 WeakPolarHBondContact OD1-CE 3.21Å; N114-K117 PolarHBondContact OD1-NZ 2.99Å; K117-K121 WeakPolarHBondContact O-CB 3.4Å; K117-K121 PolarHBondContact O-N 3.02Å; K117-A205 VanDerWaalsContact CD-O 3.31Å; K117-A205 WeakPolarHBondContact CD-O 3.45Å; K117-A205 PolarHBondContact NZ-O 3.03Å
118R86.6Confident82.3Confident108 Ų10853.1 Ų53.141%0.40826%0.255SS..Hα-helixtrans-64.8-47.5176.9-168.6-17578.2-172.75.6110.2N114 N115 I116 K121 V122 E333 F334N114-R118 VanDerWaalsContact O-CB 3.23Å; N114-R118 WeakPolarHBondContact O-CB 3.47Å; N114-R118 PolarHBondContact O-N 2.97Å; N115-R118 PolarHBondContact O-N 2.9Å; I116-R118 PolarHBondContact O-N 2.78Å; R118-K121 PolarHBondContact O-N 3.04Å; R118-V122 HydrophobicContact CG-CG2 4.47Å; R118-V122 WeakPolarHBondContact O-CB 3.42Å; R118-V122 VanDerWaalsContact O-CG2 3.28Å; R118-V122 WeakPolarHBondContact O-CG2 3.33Å; R118-V122 PolarHBondContact O-N 2.92Å; R118-E333 PolarHBondContact NH1-O 2.91Å; R118-E333 PolarHBondContact NH2-O 3.37Å; R118-F334 VanDerWaalsContact NH2-CE1 3.26Å
119L86.3Confident81.7Confident16 Ų1653.7 Ų53.78%0.08427%0.272CS..Hα-helixtrans-58.5-51.8174.9178.256.4000111K21 E22 L25 N115 I116 K121 V122 Q123 F334K21-L119 HydrophobicContact CB-CD2 3.79Å; E22-L119 HydrophobicContact CB-CD2 3.7Å; E22-L119 HydrophobicContact CG-CD2 4.37Å; L25-L119 HydrophobicContact CD1-CD2 3.88Å; N115-L119 VanDerWaalsContact O-CB 3.3Å; N115-L119 WeakPolarHBondContact O-CB 3.46Å; N115-L119 PolarHBondContact O-N 3.49Å; I116-L119 PolarHBondContact O-N 2.81Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 2.81Å; L119-V122 PolarHBondContact O-N 3.16Å; L119-V122 VanDerWaalsContact O-N 3.13Å; L119-Q123 HydrophobicContact CD1-CB 4.37Å; L119-Q123 VanDerWaalsContact CD1-OE1 3.22Å; L119-Q123 WeakPolarHBondContact O-CB 3.47Å; L119-Q123 WeakPolarHBondContact O-CG 3.26Å; L119-Q123 PolarHBondContact O-N 2.92Å; L119-F334 HydrophobicContact CB-CE1 4.1Å; L119-F334 HydrophobicContact CB-CZ 4.02Å; L119-F334 HydrophobicContact CD1-CZ 4.17Å; L119-F334 HydrophobicContact CD2-CZ 4.25Å; L119-F334 HydrophobicContact CG-CZ 4.37Å
120R83.2Confident81Confident20 Ų2056.8 Ų56.88%0.07529%0.285CS..Hα-helixtrans-55.4-40175.3-73172.3173.8-178.93.3113.2E22 I116 R124 Y125 T126 T128 F130E22-R120 IonicContact OE1-CZ 3.14Å; E22-R120 IonicContact OE1-NE 3.71Å; E22-R120 PolarHBondContact OE1-NE 2.89Å; E22-R120 IonicContact OE1-NH2 2.79Å; E22-R120 PolarHBondContact OE1-NH2 2.89Å; I116-R120 HydrophobicContact CG2-CG 4.41Å; I116-R120 WeakPolarHBondContact O-CB 3.36Å; I116-R120 VanDerWaalsContact O-CG 3.24Å; I116-R120 WeakPolarHBondContact O-CG 3.21Å; I116-R120 PolarHBondContact O-N 3.41Å; R120-R124 CarbonylContact O-C 3.51Å; R120-R124 WeakPolarHBondContact O-CA 3.39Å; R120-R124 PolarHBondContact O-N 2.93Å; R120-Y125 WeakPolarHBondContact CA-O 3.39Å; R120-Y125 PolarHBondContact O-N 2.65Å; R120-T126 HydrophobicContact CG-CG2 4.06Å; R120-T128 PolarHBondContact NH2-O 3.42Å; R120-T128 PolarHBondContact NH2-OG1 2.73Å; R120-F130 PolarHBondContact NH1-O 2.87Å; R120-F130 PolarHBondContact NH2-O 3.37Å
121K81.2Confident80.6Confident171 Ų17163 Ų6374%0.74331%0.309SS*.Hα-helixtrans-69.9-41175.7-174.4178.5178.6-178.40112.7K117 R118 L119K117-K121 WeakPolarHBondContact O-CB 3.4Å; K117-K121 PolarHBondContact O-N 3.02Å; R118-K121 PolarHBondContact O-N 3.04Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 2.81Å
122V80.8Confident80Confident111 Ų11161.7 Ų61.767%0.67330%0.297SS*.Hα-helixtrans-73.8-54.4-178.3168.40000111.5R118 L119 R124R118-V122 HydrophobicContact CG-CG2 4.47Å; R118-V122 WeakPolarHBondContact O-CB 3.42Å; R118-V122 VanDerWaalsContact O-CG2 3.28Å; R118-V122 WeakPolarHBondContact O-CG2 3.33Å; R118-V122 PolarHBondContact O-N 2.92Å; L119-V122 PolarHBondContact O-N 3.16Å; L119-V122 VanDerWaalsContact O-N 3.13Å; V122-R124 PolarHBondContact O-N 3.33Å
123Q79.8Confident79.3Confident35 Ų3566.6 Ų66.616%0.16433%0.327CS..Hα-helixtrans-69.4-15.9177.982.4-164.5-8.300112.2E22 L119 Y125E22-Q123 PolarHBondContact OE2-NE2 3.48Å; L119-Q123 HydrophobicContact CD1-CB 4.37Å; L119-Q123 VanDerWaalsContact CD1-OE1 3.22Å; L119-Q123 WeakPolarHBondContact O-CB 3.47Å; L119-Q123 WeakPolarHBondContact O-CG 3.26Å; L119-Q123 PolarHBondContact O-N 2.92Å; Q123-Y125 VanDerWaalsContact C-N 3.29Å; Q123-Y125 HydrophobicContact CB-CD1 4.11Å; Q123-Y125 HydrophobicContact CB-CE1 3.56Å; Q123-Y125 VanDerWaalsContact CD-CE2 3.48Å; Q123-Y125 HydrophobicContact CG-CD1 3.7Å; Q123-Y125 HydrophobicContact CG-CD2 3.94Å; Q123-Y125 HydrophobicContact CG-CE1 3.54Å; Q123-Y125 HydrophobicContact CG-CE2 3.83Å; Q123-Y125 HydrophobicContact CG-CG 3.87Å; Q123-Y125 WeakPolarHBondContact CG-O 3.15Å; Q123-Y125 PolarHBondContact NE2-O 2.88Å; Q123-Y125 WeakPolarHBondContact O-CD1 3.35Å; Q123-Y125 WeakPolarHBondContact O-CE1 3.44Å; Q123-Y125 PolarHBondContact O-N 3.45Å
124R74.3Confident78.3Confident187 Ų18769.4 Ų69.471%0.70634%0.343SS*.  trans63.617.4-177.5-55.2-176.2-177.1-178.20.9115.5R120 V122 S209 N210R120-R124 CarbonylContact O-C 3.51Å; R120-R124 WeakPolarHBondContact O-CA 3.39Å; R120-R124 PolarHBondContact O-N 2.93Å; V122-R124 PolarHBondContact O-N 3.33Å; R124-S209 VanDerWaalsContact C-CB 3.46Å; R124-S209 CarbonylContact O-C 3.49Å; R124-S209 WeakPolarHBondContact O-CA 3.22Å; R124-S209 WeakPolarHBondContact O-CB 3.29Å; R124-N210 CarbonylContact C-O 3.5Å; R124-N210 CarbonylContact O-C 3.6Å; R124-N210 VanDerWaalsContact O-C 3.24Å; R124-N210 WeakPolarHBondContact O-CA 3.49Å; R124-N210 PolarHBondContact O-N 2.88Å
125Y69Low76.9Confident13 Ų1372.1 Ų72.15%0.05135%0.353CS..SBendtrans-137.4164.7171.153.6-88.5000113.9R120 Q123 S209 N210 N212 E215R120-Y125 WeakPolarHBondContact CA-O 3.39Å; R120-Y125 PolarHBondContact O-N 2.65Å; Q123-Y125 VanDerWaalsContact C-N 3.29Å; Q123-Y125 HydrophobicContact CB-CD1 4.11Å; Q123-Y125 HydrophobicContact CB-CE1 3.56Å; Q123-Y125 VanDerWaalsContact CD-CE2 3.48Å; Q123-Y125 HydrophobicContact CG-CD1 3.7Å; Q123-Y125 HydrophobicContact CG-CD2 3.94Å; Q123-Y125 HydrophobicContact CG-CE1 3.54Å; Q123-Y125 HydrophobicContact CG-CE2 3.83Å; Q123-Y125 HydrophobicContact CG-CG 3.87Å; Q123-Y125 WeakPolarHBondContact CG-O 3.15Å; Q123-Y125 PolarHBondContact NE2-O 2.88Å; Q123-Y125 WeakPolarHBondContact O-CD1 3.35Å; Q123-Y125 WeakPolarHBondContact O-CE1 3.44Å; Q123-Y125 PolarHBondContact O-N 3.45Å; Y125-S209 VanDerWaalsContact CA-OG 3.31Å; Y125-S209 WeakPolarHBondContact CA-OG 3.14Å; Y125-N210 WeakPolarHBondContact CB-O 3.21Å; Y125-N212 HydrophobicContact CD1-CB 3.46Å; Y125-N212 VanDerWaalsContact CD1-CB 3.46Å; Y125-N212 HydrophobicContact CE1-CB 3.24Å; Y125-E215 HydrophobicContact CD2-CB 4.09Å; Y125-E215 HydrophobicContact CD2-CG 3.74Å; Y125-E215 HydrophobicContact CE1-CB 4.27Å; Y125-E215 HydrophobicContact CE2-CB 3.62Å; Y125-E215 HydrophobicContact CE2-CG 3.59Å; Y125-E215 HydrophobicContact CG-CG 4.46Å
126T70.8Confident75.4Confident54 Ų5476.9 Ų76.933%0.33137%0.373SS..  trans-101.3123.8166.957.30000110.5R120 S209 R219R120-T126 HydrophobicContact CG-CG2 4.06Å; T126-S209 WeakPolarHBondContact CG2-OG 3.47Å; T126-S209 PolarHBondContact N-OG 3.11Å; T126-R219 PolarHBondContact O-NH2 3.39Å
127T73.4Confident73.7Confident17 Ų1783.3 Ų83.310%0.10440%0.399CS..SBendtrans-82.9-45.2175.2-47.50000110.9S20 E22 E215S20-T127 WeakPolarHBondContact OG-CG2 3.43Å; E22-T127 VanDerWaalsContact CD-CB 3.43Å; E22-T127 VanDerWaalsContact CD-N 3.27Å; E22-T127 PolarHBondContact OE1-N 3.45Å; E22-T127 VanDerWaalsContact OE1-N 3.14Å; E22-T127 WeakPolarHBondContact OE2-CA 3.43Å; E22-T127 WeakPolarHBondContact OE2-CB 3.37Å; E22-T127 PolarHBondContact OE2-N 3.2Å; E22-T127 PolarHBondContact OE2-OG1 2.97Å; T127-E215 WeakPolarHBondContact CG2-OE1 3.48Å
128T74.2Confident71.9Confident16 Ų1690.4 Ų90.410%0.09843%0.433CS..SBendtrans-108.4161.4-178.179.90000111.8E22 D23 C26 R120 F130E22-T128 HydrophobicContact CG-CG2 4.19Å; E22-T128 PolarHBondContact OE1-N 2.97Å; E22-T128 PolarHBondContact OE1-OG1 3.1Å; D23-T128 VanDerWaalsContact OD1-CG2 3.27Å; D23-T128 WeakPolarHBondContact OD1-CG2 3.25Å; C26-T128 HydrophobicContact CB-CG2 4.09Å; C26-T128 PolarHBondContact SG-OG1 3.16Å; R120-T128 PolarHBondContact NH2-O 3.42Å; R120-T128 PolarHBondContact NH2-OG1 2.73Å; T128-F130 VanDerWaalsContact C-N 3.29Å; T128-F130 PolarHBondContact O-N 2.91Å; T128-F130 PolarHBondContact OG1-N 2.87Å
129S74.3Confident70.4Confident111 Ų11188.9 Ų88.978%0.77644%0.435SS*.  trans-82.40.4174.252.10000114.2
130F70.1Confident69.9Low69 Ų6993.2 Ų93.230%0.30346%0.458SS..  trans-62.2136.5-171.7-81.1-120.6000112.6C26 L30 W113 R120 T128C26-F130 HydrophobicContact CB-CB 4.43Å; C26-F130 HydrophobicContact CB-CD1 3.92Å; C26-F130 HydrophobicContact CB-CD2 3.97Å; C26-F130 HydrophobicContact CB-CE1 4.09Å; C26-F130 HydrophobicContact CB-CE2 4.14Å; C26-F130 HydrophobicContact CB-CG 3.85Å; C26-F130 HydrophobicContact CB-CZ 4.2Å; C26-F130 WeakPolarHBondContact O-CE1 3.37Å; L30-F130 HydrophobicContact CB-CE1 4.23Å; L30-F130 HydrophobicContact CD1-CE1 3.94Å; L30-F130 HydrophobicContact CD1-CZ 4.1Å; W113-F130 WeakPolarHBondContact CH2-O 3.17Å; R120-F130 PolarHBondContact NH1-O 2.87Å; R120-F130 PolarHBondContact NH2-O 3.37Å; T128-F130 VanDerWaalsContact C-N 3.29Å; T128-F130 PolarHBondContact O-N 2.91Å; T128-F130 PolarHBondContact OG1-N 2.87Å
131K74.3Confident69.2Low172 Ų17295.7 Ų95.775%0.74848%0.483SS*.  trans-129.4131171.6-64.2178.3-177.31750108.8
132L76Confident68.9Low30 Ų3091.7 Ų91.716%0.15747%0.467CS..  trans-98.7115.5165.7-178.769.2000109.2I109 W113 L134I109-L132 HydrophobicContact CG2-CD1 4.2Å; I109-L132 HydrophobicContact CG2-CD2 3.75Å; W113-L132 HydrophobicContact CB-CB 4.36Å; W113-L132 HydrophobicContact CB-CD2 3.64Å; W113-L132 HydrophobicContact CD2-CB 3.59Å; W113-L132 HydrophobicContact CD2-CD2 4.48Å; W113-L132 HydrophobicContact CE3-CB 4.06Å; W113-L132 HydrophobicContact CG-CB 3.72Å; W113-L132 HydrophobicContact CG-CD2 3.7Å; W113-L132 HydrophobicContact CG-CG 4.34Å; W113-L132 HydrophobicContact CZ2-CB 4.33Å; L132-L134 HydrophobicContact CD2-CD2 3.98Å; L132-L134 HydrophobicContact CD2-CG 4.21Å; L132-L134 HydrophobicContact CG-CD2 4.29Å; L132-L134 HydrophobicContact CG-CG 4.38Å
133T72.9Confident68.5Low115 Ų11588.5 Ų88.571%0.70645%0.45SS*.  trans-90.1110.1169.7-56.10000108.7Q135T133-Q135 HydrophobicContact CG2-CG 4.49Å
134L67.8Low68Low77 Ų7788.7 Ų88.740%0.40345%0.452SS..  trans-89.2112.2165.2-64.3173.4000107.2V110 L132V110-L134 HydrophobicContact CG2-CD1 4.09Å; V110-L134 HydrophobicContact CG2-CD2 4.19Å; L132-L134 HydrophobicContact CD2-CD2 3.98Å; L132-L134 HydrophobicContact CD2-CG 4.21Å; L132-L134 HydrophobicContact CG-CD2 4.29Å; L132-L134 HydrophobicContact CG-CG 4.38Å
135Q60.7Low68Low128 Ų12884 Ų8460%0.59844%0.436SS*.  trans-74.2128.9163.8-66.8179.3-19.300107.1T133 Y137 Y423T133-Q135 HydrophobicContact CG2-CG 4.49Å; Q135-Y137 HydrophobicContact CB-CD1 4.45Å; Q135-Y137 HydrophobicContact CB-CE1 3.45Å; Q135-Y137 VanDerWaalsContact CB-CE1 3.45Å; Q135-Y137 HydrophobicContact CG-CE1 4.29Å; Q135-Y137 VanDerWaalsContact OE1-CE1 3.27Å; Q135-Y137 PolarHBondContact OE1-OH 3.21Å; Q135-Y423 PolarHBondContact O-OH 3.32Å
136K57.8Low68.5Low114 Ų11487 Ų8750%0.49645%0.453SS..  trans-93.3152.8163.9-159-145.7-167163.30107.3T203K136-T203 HydrophobicContact CB-CG2 3.82Å; K136-T203 HydrophobicContact CD-CG2 3.62Å; K136-T203 HydrophobicContact CG-CG2 3.81Å; K136-T203 PolarHBondContact NZ-OG1 3.29Å
137Y49.7Very low68.8Low135 Ų13587 Ų8753%0.52946%0.459SS..  trans-118.8151174.1-53.2-50.3000109Q135 Y423Q135-Y137 HydrophobicContact CB-CD1 4.45Å; Q135-Y137 HydrophobicContact CB-CE1 3.45Å; Q135-Y137 VanDerWaalsContact CB-CE1 3.45Å; Q135-Y137 HydrophobicContact CG-CE1 4.29Å; Q135-Y137 VanDerWaalsContact OE1-CE1 3.27Å; Q135-Y137 PolarHBondContact OE1-OH 3.21Å; Y137-Y423 AromaticContact CD1-CD2 3.64Å; Y137-Y423 HydrophobicContact CD1-CD2 3.64Å; Y137-Y423 AromaticContact CD1-CE1 3.71Å; Y137-Y423 HydrophobicContact CD1-CE1 3.71Å; Y137-Y423 AromaticContact CD1-CE2 2.51Å; Y137-Y423 HydrophobicContact CD1-CE2 2.51Å; Y137-Y423 AromaticContact CD1-CZ 2.29Å; Y137-Y423 WeakPolarHBondContact CD1-OH 3.25Å; Y137-Y423 AromaticContact CD2-CD1 3.67Å; Y137-Y423 HydrophobicContact CD2-CD1 3.67Å; Y137-Y423 AromaticContact CD2-CE1 2.52Å; Y137-Y423 HydrophobicContact CD2-CE1 2.52Å; Y137-Y423 AromaticContact CD2-CE2 3.7Å; Y137-Y423 HydrophobicContact CD2-CE2 3.7Å; Y137-Y423 AromaticContact CD2-CZ 2.29Å; Y137-Y423 WeakPolarHBondContact CD2-OH 3.42Å; Y137-Y423 AromaticContact CE1-CD2 3.93Å; Y137-Y423 HydrophobicContact CE1-CD2 3.93Å; Y137-Y423 AromaticContact CE1-CE1 3.74Å; Y137-Y423 HydrophobicContact CE1-CE1 3.74Å; Y137-Y423 AromaticContact CE1-CE2 2.56Å; Y137-Y423 HydrophobicContact CE1-CE2 2.56Å; Y137-Y423 AromaticContact CE1-CZ 2.29Å; Y137-Y423 WeakPolarHBondContact CE1-OH 3.43Å; Y137-Y423 AromaticContact CE2-CD1 3.95Å; Y137-Y423 HydrophobicContact CE2-CD1 3.95Å; Y137-Y423 AromaticContact CE2-CE1 2.56Å; Y137-Y423 HydrophobicContact CE2-CE1 2.56Å; Y137-Y423 AromaticContact CE2-CE2 3.73Å; Y137-Y423 HydrophobicContact CE2-CE2 3.73Å; Y137-Y423 AromaticContact CE2-CZ 2.29Å; Y137-Y423 WeakPolarHBondContact CE2-OH 3.38Å; Y137-Y423 AromaticContact CG-CD1 3.99Å; Y137-Y423 HydrophobicContact CG-CD1 3.99Å; Y137-Y423 AromaticContact CG-CD2 3.95Å; Y137-Y423 HydrophobicContact CG-CD2 3.95Å; Y137-Y423 AromaticContact CG-CE1 3.12Å; Y137-Y423 HydrophobicContact CG-CE1 3.12Å; Y137-Y423 AromaticContact CG-CE2 3.11Å; Y137-Y423 HydrophobicContact CG-CE2 3.11Å; Y137-Y423 HydrophobicContact CG-CG 4.28Å; Y137-Y423 AromaticContact CG-CZ 2.26Å; Y137-Y423 AromaticContact CZ-CE1 3.19Å; Y137-Y423 AromaticContact CZ-CE2 3.19Å; Y137-Y423 AromaticContact CZ-CZ 2.27Å; Y137-Y423 PolarHBondContact OH-OH 2.82Å
138E47.5Very low69.1Low200 Ų20089.5 Ų89.594%0.93547%0.467SS*.  trans-88127.6170.1-65.8-178.8165.300107.3
139V55.3Low69.4Low76 Ų7692.4 Ų92.446%0.46148%0.478SS..  trans-129.5137.3174-167.70000104.5A141 D144V139-A141 PolarHBondContact O-N 3.22Å; V139-D144 HydrophobicContact CG1-CB 3.87Å
140D73.8Confident69.8Low106 Ų10688.4 Ų88.457%0.56745%0.451SS*.  trans-58115.3171.1171.90.5000108.5E142 S143 D144D140-E142 VanDerWaalsContact C-N 3.31Å; D140-E142 PolarHBondContact O-N 3.05Å; D140-E142 PolarHBondContact OD1-N 2.89Å; D140-S143 VanDerWaalsContact CG-CB 3.48Å; D140-S143 PolarHBondContact O-N 3.21Å; D140-S143 PolarHBondContact OD1-N 2.66Å; D140-S143 WeakPolarHBondContact OD2-CB 3.48Å; D140-D144 VanDerWaalsContact O-CB 3.31Å; D140-D144 WeakPolarHBondContact O-CB 3.18Å; D140-D144 PolarHBondContact O-N 2.86Å
141A69.3Low70.4Confident72 Ų7286 Ų8660%0.59544%0.441SS*.THydrogen-bonded Turntrans-74-20.1-170.900000113.4V139 K145V139-A141 PolarHBondContact O-N 3.22Å; A141-K145 WeakPolarHBondContact O-CB 3.34Å
142E74.5Confident70.9Confident87 Ų8777.8 Ų77.841%0.40741%0.406SS..THydrogen-bonded Turntrans-87.3-38.8172.3-156.263.3-14600109.9D140 K145 D146 K149D140-E142 VanDerWaalsContact C-N 3.31Å; D140-E142 PolarHBondContact O-N 3.05Å; D140-E142 PolarHBondContact OD1-N 2.89Å; E142-K145 CarbonylContact O-C 3.41Å; E142-K145 WeakPolarHBondContact O-CB 3.43Å; E142-K145 PolarHBondContact O-N 3.23Å; E142-K145 WeakPolarHBondContact OE1-CD 3.18Å; E142-K145 WeakPolarHBondContact OE1-CE 3.29Å; E142-K145 IonicContact OE1-NZ 3.7Å; E142-K145 PolarHBondContact OE1-NZ 3.14Å; E142-K145 IonicContact OE2-NZ 3.62Å; E142-K145 PolarHBondContact OE2-NZ 2.8Å; E142-D146 WeakPolarHBondContact O-CB 3.23Å; E142-D146 PolarHBondContact O-N 3.14Å; E142-K149 IonicContact OE1-NZ 3.27Å
143S72.4Confident71.4Confident44 Ų4480.9 Ų80.931%0.30842%0.422SS..Hα-helixtrans-64.5-42.7173.7-174.90000113.7D140 K145 D146 A147D140-S143 VanDerWaalsContact CG-CB 3.48Å; D140-S143 PolarHBondContact O-N 3.21Å; D140-S143 PolarHBondContact OD1-N 2.66Å; D140-S143 WeakPolarHBondContact OD2-CB 3.48Å; S143-K145 PolarHBondContact O-N 3.18Å; S143-D146 PolarHBondContact O-N 2.86Å; S143-A147 VanDerWaalsContact O-CB 3.28Å; S143-A147 WeakPolarHBondContact O-CB 3.09Å; S143-A147 PolarHBondContact O-N 3.48Å
144D69.5Low71.9Confident39 Ų3976.2 Ų76.221%0.20939%0.393CS..Hα-helixtrans-60.8-34.6174.6-16166000111.5V139 D140 W148 R198V139-D144 HydrophobicContact CG1-CB 3.87Å; D140-D144 VanDerWaalsContact O-CB 3.31Å; D140-D144 WeakPolarHBondContact O-CB 3.18Å; D140-D144 PolarHBondContact O-N 2.86Å; D144-W148 VanDerWaalsContact O-CB 3.3Å; D144-W148 WeakPolarHBondContact O-CB 3.14Å; D144-W148 PolarHBondContact O-N 3.41Å; D144-W148 VanDerWaalsContact O-N 3.1Å; D144-R198 IonicContact OD1-CZ 3.1Å; D144-R198 IonicContact OD1-NH2 3.63Å; D144-R198 PolarHBondContact OD1-NH2 3.36Å; D144-R198 IonicContact OD2-CZ 3.38Å; D144-R198 IonicContact OD2-NH2 2.7Å; D144-R198 PolarHBondContact OD2-NH2 2.99Å
145K74.2Confident72.7Confident88 Ų8872.8 Ų72.838%0.38338%0.375SS..Hα-helixtrans-80.9-36-179.1172.8-172171.5-151.20112.2A141 E142 S143 W148 K149A141-K145 WeakPolarHBondContact O-CB 3.34Å; E142-K145 CarbonylContact O-C 3.41Å; E142-K145 WeakPolarHBondContact O-CB 3.43Å; E142-K145 PolarHBondContact O-N 3.23Å; E142-K145 WeakPolarHBondContact OE1-CD 3.18Å; E142-K145 WeakPolarHBondContact OE1-CE 3.29Å; E142-K145 IonicContact OE1-NZ 3.7Å; E142-K145 PolarHBondContact OE1-NZ 3.14Å; E142-K145 IonicContact OE2-NZ 3.62Å; E142-K145 PolarHBondContact OE2-NZ 2.8Å; S143-K145 PolarHBondContact O-N 3.18Å; K145-W148 PolarHBondContact O-N 3.31Å; K145-K149 VanDerWaalsContact O-CG 3.29Å; K145-K149 WeakPolarHBondContact O-CG 3.17Å; K145-K149 PolarHBondContact O-N 2.89Å
146D79.8Confident73.9Confident76 Ų7668 Ų6841%0.40635%0.353SS..Hα-helixtrans-72.7-41.9174.3-77.2-18.3000111.4E142 S143 W148 K149 A150E142-D146 WeakPolarHBondContact O-CB 3.23Å; E142-D146 PolarHBondContact O-N 3.14Å; S143-D146 PolarHBondContact O-N 2.86Å; D146-W148 VanDerWaalsContact C-N 3.29Å; D146-W148 PolarHBondContact O-N 3.17Å; D146-K149 PolarHBondContact O-N 2.84Å; D146-K149 WeakPolarHBondContact OD1-CE 3.25Å; D146-K149 IonicContact OD1-NZ 3.04Å; D146-K149 PolarHBondContact OD1-NZ 2.91Å; D146-A150 WeakPolarHBondContact O-CB 3.38Å; D146-A150 PolarHBondContact O-N 2.9Å
147A77.9Confident75.1Confident54 Ų5465 Ų6545%0.44634%0.341SS..Hα-helixtrans-60-39.6169.900000111.7S143 D151S143-A147 VanDerWaalsContact O-CB 3.28Å; S143-A147 WeakPolarHBondContact O-CB 3.09Å; S143-A147 PolarHBondContact O-N 3.48Å; A147-D151 WeakPolarHBondContact O-CB 3.39Å; A147-D151 PolarHBondContact O-N 3.13Å; A147-D151 VanDerWaalsContact O-N 3.09Å
148W78.4Confident76.6Confident71 Ų7159 Ų5927%0.26932%0.318SS..Hα-helixtrans-65.6-43.8173.6-171.282.9000112.3D144 K145 D146 D151 L152 A193 L194D144-W148 VanDerWaalsContact O-CB 3.3Å; D144-W148 WeakPolarHBondContact O-CB 3.14Å; D144-W148 PolarHBondContact O-N 3.41Å; D144-W148 VanDerWaalsContact O-N 3.1Å; K145-W148 PolarHBondContact O-N 3.31Å; D146-W148 VanDerWaalsContact C-N 3.29Å; D146-W148 PolarHBondContact O-N 3.17Å; W148-D151 PolarHBondContact O-N 3.06Å; W148-L152 HydrophobicContact CD2-CD1 4Å; W148-L152 HydrophobicContact CE3-CD1 3.65Å; W148-L152 HydrophobicContact CH2-CD1 3.61Å; W148-L152 HydrophobicContact CZ2-CD1 3.94Å; W148-L152 HydrophobicContact CZ3-CD1 3.44Å; W148-L152 VanDerWaalsContact CZ3-CD1 3.44Å; W148-L152 WeakPolarHBondContact O-CG 3.45Å; W148-L152 PolarHBondContact O-N 2.85Å; W148-A193 HydrophobicContact CZ2-CB 4.12Å; W148-L194 HydrophobicContact CZ2-CD2 4.35Å; W148-L194 HydrophobicContact CZ2-CG 4.5Å
149K80.8Confident78.2Confident77 Ų7752.2 Ų52.234%0.33528%0.284SS..Hα-helixtrans-57.7-48.3173.7-72167.5-160.8158.80111.5E142 K145 D146 D151 L152 L153E142-K149 IonicContact OE1-NZ 3.27Å; K145-K149 VanDerWaalsContact O-CG 3.29Å; K145-K149 WeakPolarHBondContact O-CG 3.17Å; K145-K149 PolarHBondContact O-N 2.89Å; D146-K149 PolarHBondContact O-N 2.84Å; D146-K149 WeakPolarHBondContact OD1-CE 3.25Å; D146-K149 IonicContact OD1-NZ 3.04Å; D146-K149 PolarHBondContact OD1-NZ 2.91Å; K149-D151 PolarHBondContact O-N 2.8Å; K149-L152 WeakPolarHBondContact O-CB 3.11Å; K149-L152 PolarHBondContact O-N 3.32Å; K149-L152 VanDerWaalsContact O-N 3.12Å; K149-L153 WeakPolarHBondContact O-CG 3.05Å; K149-L153 PolarHBondContact O-N 3.43Å
150A83.6Confident79.4Confident27 Ų2751.9 Ų51.922%0.22328%0.277CS..Hα-helixtrans-58-47.9179.900000111.2D146 L152 L153 D154D146-A150 WeakPolarHBondContact O-CB 3.38Å; D146-A150 PolarHBondContact O-N 2.9Å; A150-L152 PolarHBondContact O-N 3.16Å; A150-L152 VanDerWaalsContact O-N 3.1Å; A150-L153 PolarHBondContact O-N 3.31Å; A150-D154 VanDerWaalsContact O-CG 3.23Å; A150-D154 PolarHBondContact O-N 2.91Å
151D83.3Confident79.4Confident17 Ų1750.2 Ų50.29%0.09127%0.265CS..Hα-helixtrans-65.3-15.1178.5-172.665.7000114.9R56 R92 R95 A147 W148 K149 R197R56-D151 IonicContact CZ-OD1 3.06Å; R56-D151 IonicContact NH1-OD1 3.93Å; R56-D151 PolarHBondContact NH1-OD1 2.93Å; R56-D151 IonicContact NH2-OD1 3.33Å; R56-D151 PolarHBondContact NH2-OD1 2.98Å; R92-D151 PolarHBondContact NH1-O 2.9Å; R95-D151 IonicContact CZ-OD1 2.8Å; R95-D151 IonicContact CZ-OD2 2.73Å; R95-D151 VanDerWaalsContact CZ-OD2 3.29Å; R95-D151 IonicContact NH1-OD1 3.86Å; R95-D151 PolarHBondContact NH1-OD1 2.9Å; R95-D151 IonicContact NH1-OD2 3.98Å; R95-D151 PolarHBondContact NH1-OD2 3.35Å; R95-D151 IonicContact NH2-OD1 2.77Å; R95-D151 IonicContact NH2-OD2 2.72Å; R95-D151 PolarHBondContact NH2-OD2 3.24Å; A147-D151 WeakPolarHBondContact O-CB 3.39Å; A147-D151 PolarHBondContact O-N 3.13Å; A147-D151 VanDerWaalsContact O-N 3.09Å; W148-D151 PolarHBondContact O-N 3.06Å; K149-D151 PolarHBondContact O-N 2.8Å; D151-R197 PolarHBondContact O-NH1 3.43Å; D151-R197 VanDerWaalsContact O-NH1 3.11Å; D151-R197 IonicContact OD2-CZ 2.78Å; D151-R197 IonicContact OD2-NE 3.67Å; D151-R197 IonicContact OD2-NH1 2.71Å; D151-R197 PolarHBondContact OD2-NH1 3.03Å
152L84.9Confident79.7Confident1 Ų149.9 Ų49.91%0.00525%0.251CS..Hα-helixtrans-87.9-37.8167.5-59173.5000112.6W148 K149 A150 D154 D155 L156 W186 I189 A193W148-L152 HydrophobicContact CD2-CD1 4Å; W148-L152 HydrophobicContact CE3-CD1 3.65Å; W148-L152 HydrophobicContact CH2-CD1 3.61Å; W148-L152 HydrophobicContact CZ2-CD1 3.94Å; W148-L152 HydrophobicContact CZ3-CD1 3.44Å; W148-L152 VanDerWaalsContact CZ3-CD1 3.44Å; W148-L152 WeakPolarHBondContact O-CG 3.45Å; W148-L152 PolarHBondContact O-N 2.85Å; K149-L152 WeakPolarHBondContact O-CB 3.11Å; K149-L152 PolarHBondContact O-N 3.32Å; K149-L152 VanDerWaalsContact O-N 3.12Å; A150-L152 PolarHBondContact O-N 3.16Å; A150-L152 VanDerWaalsContact O-N 3.1Å; L152-D154 VanDerWaalsContact C-N 3.34Å; L152-D155 WeakPolarHBondContact O-CA 3.45Å; L152-D155 WeakPolarHBondContact O-CB 3.43Å; L152-D155 PolarHBondContact O-N 3.32Å; L152-D155 VanDerWaalsContact O-N 3.08Å; L152-L156 PolarHBondContact O-N 2.91Å; L152-L156 VanDerWaalsContact O-N 3.09Å; L152-W186 HydrophobicContact CB-CE3 4.49Å; L152-W186 HydrophobicContact CB-CH2 3.61Å; L152-W186 HydrophobicContact CB-CZ3 3.56Å; L152-W186 HydrophobicContact CD1-CH2 4.13Å; L152-W186 HydrophobicContact CD1-CZ2 4.41Å; L152-I189 HydrophobicContact CB-CG2 3.9Å; L152-I189 HydrophobicContact CD2-CG2 3.54Å; L152-I189 HydrophobicContact CG-CG2 4.26Å; L152-A193 HydrophobicContact CD2-CB 3.39Å
153L85.3Confident79.7Confident95 Ų9547.7 Ų47.750%0.49724%0.242SC..Hα-helixtrans-64.6-41.6176.6-70.7167.6000110.6K149 A150 D155 L156 E157 W186K149-L153 WeakPolarHBondContact O-CG 3.05Å; K149-L153 PolarHBondContact O-N 3.43Å; A150-L153 PolarHBondContact O-N 3.31Å; L153-D155 PolarHBondContact O-N 3.26Å; L153-L156 WeakPolarHBondContact O-CA 3.34Å; L153-L156 WeakPolarHBondContact O-CB 3.41Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-E157 PolarHBondContact O-N 3.04Å; L153-W186 HydrophobicContact CD2-CH2 4.05Å; L153-W186 HydrophobicContact CD2-CZ3 3.77Å; L153-W186 HydrophobicContact CG-CH2 4.19Å; L153-W186 HydrophobicContact CG-CZ3 4.08Å
154D84.1Confident79.8Confident16 Ų1651.2 Ų51.29%0.08625%0.252CS..Hα-helixtrans-62.1-26.8172-59.1-1.3000111.9R56 R92 A150 L152 E158R56-D154 WeakPolarHBondContact CD-OD2 3.4Å; R56-D154 IonicContact CZ-OD2 2.71Å; R56-D154 IonicContact NE-OD2 3.09Å; R56-D154 PolarHBondContact NE-OD2 2.84Å; R56-D154 IonicContact NH1-OD2 2.96Å; R56-D154 PolarHBondContact NH1-OD2 2.95Å; R92-D154 PolarHBondContact NH2-O 2.83Å; A150-D154 VanDerWaalsContact O-CG 3.23Å; A150-D154 PolarHBondContact O-N 2.91Å; L152-D154 VanDerWaalsContact C-N 3.34Å; D154-E158 WeakPolarHBondContact O-CG 3.41Å; D154-E158 PolarHBondContact O-N 2.98Å
155D84.1Confident79.7Confident5 Ų551.3 Ų51.33%0.02725%0.252CS..Hα-helixtrans-72.8-34.6173.8-139.9-64.3000110.9R92 L152 L153 R159 I189 R197R92-D155 WeakPolarHBondContact CD-OD2 3.44Å; R92-D155 VanDerWaalsContact CZ-CA 3.49Å; R92-D155 IonicContact CZ-OD2 3.05Å; R92-D155 IonicContact NE-OD2 2.75Å; R92-D155 IonicContact NH1-OD2 3.87Å; R92-D155 PolarHBondContact NH1-OD2 3.37Å; L152-D155 WeakPolarHBondContact O-CA 3.45Å; L152-D155 WeakPolarHBondContact O-CB 3.43Å; L152-D155 PolarHBondContact O-N 3.32Å; L152-D155 VanDerWaalsContact O-N 3.08Å; L153-D155 PolarHBondContact O-N 3.26Å; D155-R159 WeakPolarHBondContact O-CG 3.42Å; D155-R159 PolarHBondContact O-N 3.29Å; D155-R159 IonicContact OD1-CZ 2.92Å; D155-R159 IonicContact OD1-NE 3.84Å; D155-R159 PolarHBondContact OD1-NE 3.03Å; D155-R159 VanDerWaalsContact OD1-NE 3.1Å; D155-R159 IonicContact OD1-NH2 2.7Å; D155-R159 PolarHBondContact OD1-NH2 2.67Å; D155-I189 HydrophobicContact CB-CB 4.5Å; D155-I189 HydrophobicContact CB-CD1 3.93Å; D155-I189 HydrophobicContact CB-CG1 3.96Å; D155-I189 HydrophobicContact CB-CG2 3.71Å; D155-R197 IonicContact OD2-CZ 3.89Å; D155-R197 IonicContact OD2-NH1 3.31Å; D155-R197 IonicContact OD2-NH2 2.86Å; D155-R197 PolarHBondContact OD2-NH2 2.85Å
156L85.3Confident79.4Confident28 Ų2851.8 Ų51.815%0.14725%0.254CS..Hα-helixtrans-73-43.4178.2-171.365.5000111L152 L153 R159 E160 F180 A185 W186 I189L152-L156 PolarHBondContact O-N 2.91Å; L152-L156 VanDerWaalsContact O-N 3.09Å; L153-L156 WeakPolarHBondContact O-CA 3.34Å; L153-L156 WeakPolarHBondContact O-CB 3.41Å; L153-L156 PolarHBondContact O-N 2.87Å; L156-R159 PolarHBondContact O-N 2.84Å; L156-E160 PolarHBondContact O-N 2.81Å; L156-F180 HydrophobicContact CD1-CE1 4.12Å; L156-F180 HydrophobicContact CD1-CZ 4.22Å; L156-A185 HydrophobicContact CD1-CB 3.77Å; L156-W186 HydrophobicContact CB-CE3 4.42Å; L156-W186 HydrophobicContact CD1-CB 4.44Å; L156-W186 HydrophobicContact CD2-CE3 4.15Å; L156-I189 HydrophobicContact CB-CD1 3.88Å; L156-I189 HydrophobicContact CD1-CD1 3.9Å
157E83Confident78.8Confident51 Ų5153.3 Ų53.324%0.23826%0.259CS..Hα-helixtrans-61.3-44175.3-175.6171.9-147.200111.9F59 K63 L153 R159 E160 F161F59-E157 WeakPolarHBondContact CE1-OE2 3.19Å; F59-E157 HydrophobicContact CZ-CG 4.41Å; K63-E157 IonicContact NZ-OE1 3.24Å; K63-E157 PolarHBondContact NZ-OE1 2.82Å; L153-E157 PolarHBondContact O-N 3.04Å; E157-R159 VanDerWaalsContact C-N 3.28Å; E157-R159 PolarHBondContact O-N 3.36Å; E157-E160 PolarHBondContact O-N 3.23Å; E157-F161 PolarHBondContact O-N 3.09Å
158E80.8Confident78.1Confident9 Ų954.4 Ų54.44%0.04227%0.268CS..Hα-helixtrans-58.9-37175-80.8170.3-143.600112.5R56 L85 C88 R89 R92 D154 E162R56-E158 IonicContact NE-OE1 2.82Å; L85-E158 HydrophobicContact CD2-CG 3.91Å; C88-E158 HydrophobicContact CB-CG 4.49Å; C88-E158 WeakPolarHBondContact CB-OE1 3.41Å; R89-E158 HydrophobicContact CG-CB 4.14Å; R89-E158 HydrophobicContact CG-CG 4.24Å; R89-E158 VanDerWaalsContact CG-OE2 3.31Å; R89-E158 WeakPolarHBondContact CG-OE2 3.48Å; R92-E158 IonicContact CZ-OE1 2.88Å; R92-E158 IonicContact CZ-OE2 2.72Å; R92-E158 IonicContact NE-OE1 2.63Å; R92-E158 PolarHBondContact NE-OE1 3.27Å; R92-E158 IonicContact NE-OE2 3.21Å; R92-E158 PolarHBondContact NE-OE2 3.1Å; R92-E158 IonicContact NH2-OE1 3.22Å; R92-E158 PolarHBondContact NH2-OE1 2.92Å; R92-E158 IonicContact NH2-OE2 2.79Å; R92-E158 PolarHBondContact NH2-OE2 3.02Å; D154-E158 WeakPolarHBondContact O-CG 3.41Å; D154-E158 PolarHBondContact O-N 2.98Å; E158-E162 PolarHBondContact O-N 2.89Å
159R81.8Confident77.2Confident57 Ų5756.7 Ų56.722%0.21528%0.28CS..Hα-helixtrans-78.1-37177.1-68.7-178.7-153.6-140.2-0.5113.1D155 L156 E157 F161 E162 N163 F180 E188 I189 E192D155-R159 WeakPolarHBondContact O-CG 3.42Å; D155-R159 PolarHBondContact O-N 3.29Å; D155-R159 IonicContact OD1-CZ 2.92Å; D155-R159 IonicContact OD1-NE 3.84Å; D155-R159 PolarHBondContact OD1-NE 3.03Å; D155-R159 VanDerWaalsContact OD1-NE 3.1Å; D155-R159 IonicContact OD1-NH2 2.7Å; D155-R159 PolarHBondContact OD1-NH2 2.67Å; L156-R159 PolarHBondContact O-N 2.84Å; E157-R159 VanDerWaalsContact C-N 3.28Å; E157-R159 PolarHBondContact O-N 3.36Å; R159-F161 VanDerWaalsContact C-N 3.34Å; R159-E162 PolarHBondContact O-N 2.92Å; R159-N163 PolarHBondContact O-N 3.05Å; R159-N163 VanDerWaalsContact O-N 3.08Å; R159-F180 HydrophobicContact CB-CE2 4.18Å; R159-F180 HydrophobicContact CB-CZ 4.01Å; R159-E188 IonicContact NH1-OE2 3.93Å; R159-E188 PolarHBondContact NH1-OE2 2.88Å; R159-I189 VanDerWaalsContact CZ-CG1 3.43Å; R159-I189 VanDerWaalsContact NE-CG1 3.34Å; R159-E192 IonicContact CZ-OE2 3.37Å; R159-E192 IonicContact NH1-OE2 3.09Å; R159-E192 PolarHBondContact NH1-OE2 2.8Å; R159-E192 IonicContact NH2-OE2 3.97Å; R159-E192 PolarHBondContact NH2-OE2 2.76Å
160E80.4Confident76.1Confident69 Ų6958.9 Ų58.932%0.32230%0.295SS..Hα-helixtrans-60.6-44173.5-86.2-168-151.800111.8L156 E157 N163 K164 F180L156-E160 PolarHBondContact O-N 2.81Å; E157-E160 PolarHBondContact O-N 3.23Å; E160-N163 PolarHBondContact O-N 3.41Å; E160-K164 WeakPolarHBondContact O-CG 3.19Å; E160-K164 PolarHBondContact O-N 3.5Å; E160-K164 VanDerWaalsContact O-N 3.08Å; E160-K164 IonicContact OE2-NZ 2.77Å; E160-K164 PolarHBondContact OE2-NZ 3.27Å; E160-K164 VanDerWaalsContact OE2-NZ 3.09Å; E160-F180 HydrophobicContact CB-CE1 4.32Å; E160-F180 HydrophobicContact CG-CD1 3.71Å; E160-F180 HydrophobicContact CG-CE1 3.27Å; E160-F180 HydrophobicContact CG-CZ 3.85Å
161F75Confident74.5Confident72 Ų7264.5 Ų64.532%0.31632%0.322SS..Hα-helixtrans-66-42.1179.2-156.1-76.4000111.2I81 L85 E157 R159 N163 K164 D165I81-F161 HydrophobicContact CG2-CE2 3.94Å; I81-F161 HydrophobicContact CG2-CZ 3.77Å; L85-F161 HydrophobicContact CD1-CB 3.86Å; L85-F161 HydrophobicContact CD1-CD1 3.49Å; L85-F161 VanDerWaalsContact CD1-CD1 3.49Å; L85-F161 HydrophobicContact CD1-CD2 3.59Å; L85-F161 HydrophobicContact CD1-CE1 3.86Å; L85-F161 HydrophobicContact CD1-CE2 3.96Å; L85-F161 HydrophobicContact CD1-CG 3.35Å; L85-F161 HydrophobicContact CD1-CZ 4.08Å; E157-F161 PolarHBondContact O-N 3.09Å; R159-F161 VanDerWaalsContact C-N 3.34Å; F161-N163 VanDerWaalsContact C-N 3.27Å; F161-N163 PolarHBondContact O-N 2.84Å; F161-K164 PolarHBondContact O-N 3.42Å; F161-D165 WeakPolarHBondContact O-CB 3.44Å; F161-D165 PolarHBondContact O-N 3.17Å
162E73.8Confident72.7Confident65 Ų6569.7 Ų69.730%0.30435%0.354SS..Hα-helixtrans-62-32.8175.4-170.5178.5129.900112.7R89 E158 R159 K166R89-E162 IonicContact CZ-OE2 3.19Å; R89-E162 IonicContact NH1-OE2 3.18Å; R89-E162 PolarHBondContact NH1-OE2 3.34Å; E158-E162 PolarHBondContact O-N 2.89Å; R159-E162 PolarHBondContact O-N 2.92Å; E162-K166 HydrophobicContact CG-CD 4.46Å; E162-K166 VanDerWaalsContact O-CG 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.46Å; E162-K166 PolarHBondContact O-N 2.74Å; E162-K166 VanDerWaalsContact O-N 3.12Å; E162-K166 WeakPolarHBondContact OE1-CE 3.3Å; E162-K166 IonicContact OE1-NZ 2.73Å; E162-K166 PolarHBondContact OE1-NZ 2.94Å
163N76.3Confident70.7Confident41 Ų4175 Ų7522%0.21939%0.391CS..Hα-helixtrans-73-39.1175.2-163.995.5000112.5R159 E160 F161 D165 K166 Q167 F180R159-N163 PolarHBondContact O-N 3.05Å; R159-N163 VanDerWaalsContact O-N 3.08Å; E160-N163 PolarHBondContact O-N 3.41Å; F161-N163 VanDerWaalsContact C-N 3.27Å; F161-N163 PolarHBondContact O-N 2.84Å; N163-D165 VanDerWaalsContact C-N 3.35Å; N163-K166 PolarHBondContact O-N 3.02Å; N163-Q167 PolarHBondContact ND2-NE2 2.93Å; N163-Q167 VanDerWaalsContact ND2-NE2 3.19Å; N163-Q167 PolarHBondContact ND2-OE1 2.8Å; N163-Q167 WeakPolarHBondContact O-CB 2.96Å; N163-Q167 WeakPolarHBondContact O-CG 3.47Å; N163-Q167 PolarHBondContact O-N 3.5Å; N163-F180 HydrophobicContact CB-CB 4.34Å; N163-F180 HydrophobicContact CB-CD2 3.55Å; N163-F180 HydrophobicContact CB-CE2 4.19Å; N163-F180 HydrophobicContact CB-CG 4.24Å
164K73.8Confident68.6Low118 Ų11875.5 Ų75.551%0.51340%0.401SS..Hα-helixtrans-63-43174.8-69.4162.9-170160.20110.8E160 F161 Q167 A168E160-K164 WeakPolarHBondContact O-CG 3.19Å; E160-K164 PolarHBondContact O-N 3.5Å; E160-K164 VanDerWaalsContact O-N 3.08Å; E160-K164 IonicContact OE2-NZ 2.77Å; E160-K164 PolarHBondContact OE2-NZ 3.27Å; E160-K164 VanDerWaalsContact OE2-NZ 3.09Å; F161-K164 PolarHBondContact O-N 3.42Å; K164-Q167 PolarHBondContact O-N 3.08Å; K164-A168 PolarHBondContact O-N 2.85Å
165D67.6Low66.5Low40 Ų4084.3 Ų84.321%0.21444%0.439CS..Hα-helixtrans-61-45.2176.3-178.256.5000113F161 N163 A168 K169F161-D165 WeakPolarHBondContact O-CB 3.44Å; F161-D165 PolarHBondContact O-N 3.17Å; N163-D165 VanDerWaalsContact C-N 3.35Å; D165-A168 PolarHBondContact O-N 2.98Å; D165-K169 WeakPolarHBondContact O-CG 3.31Å; D165-K169 PolarHBondContact O-N 3.41Å; D165-K169 WeakPolarHBondContact OD1-CE 3.45Å; D165-K169 IonicContact OD1-NZ 3.21Å; D165-K169 PolarHBondContact OD1-NZ 2.87Å; D165-K169 IonicContact OD2-NZ 3.74Å; D165-K169 PolarHBondContact OD2-NZ 3.15Å
166K68.1Low64.8Low98 Ų9890.1 Ų90.143%0.42647%0.47SS..Hα-helixtrans-61-46.5173.5-73.9167.8-176.2166.60111.9E162 N163 A168 K169 D170E162-K166 HydrophobicContact CG-CD 4.46Å; E162-K166 VanDerWaalsContact O-CG 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.46Å; E162-K166 PolarHBondContact O-N 2.74Å; E162-K166 VanDerWaalsContact O-N 3.12Å; E162-K166 WeakPolarHBondContact OE1-CE 3.3Å; E162-K166 IonicContact OE1-NZ 2.73Å; E162-K166 PolarHBondContact OE1-NZ 2.94Å; N163-K166 PolarHBondContact O-N 3.02Å; K166-A168 PolarHBondContact O-N 2.92Å; K166-K169 PolarHBondContact O-N 2.94Å; K166-D170 WeakPolarHBondContact O-CB 3.08Å; K166-D170 PolarHBondContact O-N 2.65Å
167Q66Low62.7Low108 Ų10896.5 Ų96.551%0.50550%0.504SS..Hα-helixtrans-62.3-26.8177.2-74.5175.8-21.600113.4N163 K164 N178N163-Q167 PolarHBondContact ND2-NE2 2.93Å; N163-Q167 VanDerWaalsContact ND2-NE2 3.19Å; N163-Q167 PolarHBondContact ND2-OE1 2.8Å; N163-Q167 WeakPolarHBondContact O-CB 2.96Å; N163-Q167 WeakPolarHBondContact O-CG 3.47Å; N163-Q167 PolarHBondContact O-N 3.5Å; K164-Q167 PolarHBondContact O-N 3.08Å; Q167-N178 PolarHBondContact NE2-O 3.2Å
168A63.2Low61.4Low77 Ų77100.4 Ų100.464%0.63653%0.527SS*.Hα-helixtrans-82.3-24.3173.300000113.9K164 D165 K166K164-A168 PolarHBondContact O-N 2.85Å; D165-A168 PolarHBondContact O-N 2.98Å; K166-A168 PolarHBondContact O-N 2.92Å
169K59.5Low60.4Low119 Ų119104 Ų10452%0.51756%0.558SS.*Hα-helixtrans-92-24.6-179.5-74166.1177.2161.20113.2E82 D165 K166 D171E82-K169 IonicContact OE1-NZ 2.7Å; E82-K169 PolarHBondContact OE1-NZ 2.82Å; E82-K169 IonicContact OE2-NZ 2.88Å; D165-K169 WeakPolarHBondContact O-CG 3.31Å; D165-K169 PolarHBondContact O-N 3.41Å; D165-K169 WeakPolarHBondContact OD1-CE 3.45Å; D165-K169 IonicContact OD1-NZ 3.21Å; D165-K169 PolarHBondContact OD1-NZ 2.87Å; D165-K169 IonicContact OD2-NZ 3.74Å; D165-K169 PolarHBondContact OD2-NZ 3.15Å; K166-K169 PolarHBondContact O-N 2.94Å; K169-D171 VanDerWaalsContact C-N 3.34Å; K169-D171 PolarHBondContact O-N 3.15Å
170D58.1Low59.8Low123 Ų123104.4 Ų104.466%0.65856%0.561SS**  trans-89.929.7-179.2-70.3-30.5000114.3K166 V172K166-D170 WeakPolarHBondContact O-CB 3.08Å; K166-D170 PolarHBondContact O-N 2.65Å; D170-V172 PolarHBondContact O-N 3.31Å
171D49.8Very low59.8Low145 Ų145105.3 Ų105.378%0.77557%0.568SS**  trans-75.935-173.7-160.925.1000115.2K169K169-D171 VanDerWaalsContact C-N 3.34Å; K169-D171 PolarHBondContact O-N 3.15Å
172V46.5Very low59.7Low126 Ų126102.9 Ų102.976%0.76456%0.563SS**SBendtrans-144.4107.4159.4-175.90000110.9D170D170-V172 PolarHBondContact O-N 3.31Å
173S41.7Very low59.8Low114 Ų114105.7 Ų105.780%0.79758%0.58SS**SBendtrans7165.4156.570.90000120.2
174C42.3Very low59.8Low104 Ų104106.2 Ų106.270%0.70359%0.591SS**  trans-139.2147.3135.3-160.30000111.3
175K40.4Very low60Low201 Ų201101.2 Ų101.287%0.87457%0.571SS**  trans-111.823.3-176.7-82.3-166.9173.2-174.20113.9
176D47.6Very low60.5Low127 Ų127103.3 Ų103.368%0.67958%0.576SS**  trans-89.7108.2174.1-73.4-37.4000110.7N178D176-N178 PolarHBondContact O-N 3.31Å
177N41.8Very low60.8Low163 Ų163101.7 Ų101.787%0.87257%0.574SS**  trans-72.359.9-178.8-76.7-19.5000112.9A179N177-A179 PolarHBondContact O-N 3.11Å
178N54.2Low61.6Low133 Ų133101.5 Ų101.571%0.71157%0.574SS**  trans-77.277.4167.8-72.4-26.5000109.6Q167 D176Q167-N178 PolarHBondContact NE2-O 3.2Å; D176-N178 PolarHBondContact O-N 3.31Å
179A59.8Low62.2Low84 Ų8497.9 Ų97.969%0.69454%0.543SS*.  trans-58.8144.7162.300000109.5N177 D181N177-A179 PolarHBondContact O-N 3.11Å; A179-D181 PolarHBondContact O-N 3.43Å
180F70.7Confident62.8Low66 Ų6693.4 Ų93.429%0.28953%0.527SS..  trans-64.1109.4-177.5-179.3-97.8000111.1L156 R159 E160 N163 G182 A185L156-F180 HydrophobicContact CD1-CE1 4.12Å; L156-F180 HydrophobicContact CD1-CZ 4.22Å; R159-F180 HydrophobicContact CB-CE2 4.18Å; R159-F180 HydrophobicContact CB-CZ 4.01Å; E160-F180 HydrophobicContact CB-CE1 4.32Å; E160-F180 HydrophobicContact CG-CD1 3.71Å; E160-F180 HydrophobicContact CG-CE1 3.27Å; E160-F180 HydrophobicContact CG-CZ 3.85Å; N163-F180 HydrophobicContact CB-CB 4.34Å; N163-F180 HydrophobicContact CB-CD2 3.55Å; N163-F180 HydrophobicContact CB-CE2 4.19Å; N163-F180 HydrophobicContact CB-CG 4.24Å; F180-G182 PolarHBondContact O-N 3.25Å; F180-G182 VanDerWaalsContact O-N 3.07Å; F180-A185 HydrophobicContact CE1-CB 4.1Å; F180-A185 HydrophobicContact CE2-CB 4.09Å; F180-A185 HydrophobicContact CZ-CB 3.49Å; F180-A185 VanDerWaalsContact CZ-CB 3.49Å
181D78.9Confident63.7Low88 Ų8893.1 Ų93.147%0.47152%0.52SS..  trans-7991.1172.2-176.53000110.2A179 N183 A184 A185A179-D181 PolarHBondContact O-N 3.43Å; D181-N183 PolarHBondContact O-N 2.99Å; D181-N183 WeakPolarHBondContact OD1-CA 3.38Å; D181-N183 VanDerWaalsContact OD1-CB 3.28Å; D181-N183 WeakPolarHBondContact OD1-CB 3.27Å; D181-N183 PolarHBondContact OD1-N 2.78Å; D181-N183 PolarHBondContact OD1-ND2 2.71Å; D181-A184 HydrophobicContact CB-CB 3.92Å; D181-A184 PolarHBondContact O-N 3.16Å; D181-A184 VanDerWaalsContact O-N 3.1Å; D181-A184 PolarHBondContact OD1-N 3.24Å; D181-A184 WeakPolarHBondContact OD2-CB 3.44Å; D181-A185 PolarHBondContact O-N 3.3Å
182G74.2Confident65Low20 Ų2090 Ų9021%0.20650%0.501CS..Hα-helixtrans-57.3-25.8174.100000113.7F180 W186F180-G182 PolarHBondContact O-N 3.25Å; F180-G182 VanDerWaalsContact O-N 3.07Å; G182-W186 WeakPolarHBondContact O-CB 3.46Å; G182-W186 PolarHBondContact O-N 3.46Å
183N75.7Confident66.1Low124 Ų12484 Ų8466%0.66347%0.465SS*.Hα-helixtrans-74.3-39.6175.5-56.7-74.1000111.4D181 T187D181-N183 PolarHBondContact O-N 2.99Å; D181-N183 WeakPolarHBondContact OD1-CA 3.38Å; D181-N183 VanDerWaalsContact OD1-CB 3.28Å; D181-N183 WeakPolarHBondContact OD1-CB 3.27Å; D181-N183 PolarHBondContact OD1-N 2.78Å; D181-N183 PolarHBondContact OD1-ND2 2.71Å; N183-T187 WeakPolarHBondContact O-CB 3.21Å; N183-T187 PolarHBondContact O-N 2.64Å; N183-T187 PolarHBondContact O-OG1 3.4Å
184A77.2Confident67.3Low53 Ų5383 Ų8344%0.43845%0.45SS..Hα-helixtrans-64.2-47.317300000111.2D181 T187 E188D181-A184 HydrophobicContact CB-CB 3.92Å; D181-A184 PolarHBondContact O-N 3.16Å; D181-A184 VanDerWaalsContact O-N 3.1Å; D181-A184 PolarHBondContact OD1-N 3.24Å; D181-A184 WeakPolarHBondContact OD2-CB 3.44Å; A184-T187 WeakPolarHBondContact O-CB 3.43Å; A184-T187 PolarHBondContact O-N 2.68Å; A184-E188 PolarHBondContact O-N 3.32Å
185A77Confident68.5Low12 Ų1287.2 Ų87.210%0.09945%0.451CS..Hα-helixtrans-59.1-50.4176.400000111.6L156 F180 D181 T187 E188 I189L156-A185 HydrophobicContact CD1-CB 3.77Å; F180-A185 HydrophobicContact CE1-CB 4.1Å; F180-A185 HydrophobicContact CE2-CB 4.09Å; F180-A185 HydrophobicContact CZ-CB 3.49Å; F180-A185 VanDerWaalsContact CZ-CB 3.49Å; D181-A185 PolarHBondContact O-N 3.3Å; A185-T187 VanDerWaalsContact C-N 3.29Å; A185-T187 PolarHBondContact O-N 2.82Å; A185-E188 PolarHBondContact O-N 3Å; A185-E188 VanDerWaalsContact O-N 3.09Å; A185-I189 WeakPolarHBondContact O-CB 3.38Å; A185-I189 WeakPolarHBondContact O-CD1 3.42Å; A185-I189 VanDerWaalsContact O-CG1 3.23Å; A185-I189 WeakPolarHBondContact O-CG1 3.49Å; A185-I189 PolarHBondContact O-N 2.89Å
186W78.2Confident69.7Low84 Ų8478.4 Ų78.432%0.31841%0.414SS..Hα-helixtrans-57.3-40.7175.3-179.1-105.2000112.9L152 L153 L156 G182 E188 I189 C190L152-W186 HydrophobicContact CB-CE3 4.49Å; L152-W186 HydrophobicContact CB-CH2 3.61Å; L152-W186 HydrophobicContact CB-CZ3 3.56Å; L152-W186 HydrophobicContact CD1-CH2 4.13Å; L152-W186 HydrophobicContact CD1-CZ2 4.41Å; L153-W186 HydrophobicContact CD2-CH2 4.05Å; L153-W186 HydrophobicContact CD2-CZ3 3.77Å; L153-W186 HydrophobicContact CG-CH2 4.19Å; L153-W186 HydrophobicContact CG-CZ3 4.08Å; L156-W186 HydrophobicContact CB-CE3 4.42Å; L156-W186 HydrophobicContact CD1-CB 4.44Å; L156-W186 HydrophobicContact CD2-CE3 4.15Å; G182-W186 WeakPolarHBondContact O-CB 3.46Å; G182-W186 PolarHBondContact O-N 3.46Å; W186-E188 VanDerWaalsContact C-N 3.31Å; W186-E188 PolarHBondContact O-N 3.41Å; W186-I189 PolarHBondContact O-N 2.84Å; W186-C190 WeakPolarHBondContact O-CB 3.42Å; W186-C190 PolarHBondContact O-N 3.23Å; W186-C190 PolarHBondContact O-SG 2.72Å
187T75.1Confident70.6Confident64 Ų6472.6 Ų72.639%0.39338%0.383SS..Hα-helixtrans-65.9-32.9177.5-65.30000112.2N183 A184 A185 K191N183-T187 WeakPolarHBondContact O-CB 3.21Å; N183-T187 PolarHBondContact O-N 2.64Å; N183-T187 PolarHBondContact O-OG1 3.4Å; A184-T187 WeakPolarHBondContact O-CB 3.43Å; A184-T187 PolarHBondContact O-N 2.68Å; A185-T187 VanDerWaalsContact C-N 3.29Å; A185-T187 PolarHBondContact O-N 2.82Å; T187-K191 HydrophobicContact CG2-CD 4.38Å; T187-K191 VanDerWaalsContact O-CD 3.26Å; T187-K191 WeakPolarHBondContact O-CD 3.43Å; T187-K191 WeakPolarHBondContact O-CG 3.19Å; T187-K191 PolarHBondContact O-N 2.99Å
188E80.9Confident71.3Confident105 Ų10571.1 Ų71.149%0.49137%0.365SS..Hα-helixtrans-73.5-50.1172.3-174.3169.8-112.800111.7R159 A184 A185 W186 C190 K191 E192R159-E188 IonicContact NH1-OE2 3.93Å; R159-E188 PolarHBondContact NH1-OE2 2.88Å; A184-E188 PolarHBondContact O-N 3.32Å; A185-E188 PolarHBondContact O-N 3Å; A185-E188 VanDerWaalsContact O-N 3.09Å; W186-E188 VanDerWaalsContact C-N 3.31Å; W186-E188 PolarHBondContact O-N 3.41Å; E188-C190 VanDerWaalsContact C-N 3.28Å; E188-C190 PolarHBondContact O-N 2.77Å; E188-K191 CarbonylContact O-C 3.59Å; E188-K191 WeakPolarHBondContact O-CA 3.33Å; E188-K191 WeakPolarHBondContact O-CB 3.46Å; E188-K191 PolarHBondContact O-N 3.43Å; E188-E192 HydrophobicContact CG-CG 4.31Å; E188-E192 PolarHBondContact O-N 2.86Å
189I76.5Confident71.2Confident0 Ų068.5 Ų68.50%035%0.351CS..Hα-helixtrans-47.4-50.2175.1-72161.7000111.1L152 D155 L156 R159 A185 W186 K191 E192 A193L152-I189 HydrophobicContact CB-CG2 3.9Å; L152-I189 HydrophobicContact CD2-CG2 3.54Å; L152-I189 HydrophobicContact CG-CG2 4.26Å; D155-I189 HydrophobicContact CB-CB 4.5Å; D155-I189 HydrophobicContact CB-CD1 3.93Å; D155-I189 HydrophobicContact CB-CG1 3.96Å; D155-I189 HydrophobicContact CB-CG2 3.71Å; L156-I189 HydrophobicContact CB-CD1 3.88Å; L156-I189 HydrophobicContact CD1-CD1 3.9Å; R159-I189 VanDerWaalsContact CZ-CG1 3.43Å; R159-I189 VanDerWaalsContact NE-CG1 3.34Å; A185-I189 WeakPolarHBondContact O-CB 3.38Å; A185-I189 WeakPolarHBondContact O-CD1 3.42Å; A185-I189 VanDerWaalsContact O-CG1 3.23Å; A185-I189 WeakPolarHBondContact O-CG1 3.49Å; A185-I189 PolarHBondContact O-N 2.89Å; W186-I189 PolarHBondContact O-N 2.84Å; I189-K191 PolarHBondContact O-N 2.92Å; I189-E192 PolarHBondContact O-N 2.86Å; I189-A193 VanDerWaalsContact O-CB 3.31Å; I189-A193 WeakPolarHBondContact O-CB 3.4Å; I189-A193 PolarHBondContact O-N 2.83Å
190C73.4Confident70.1Confident26 Ų2667.6 Ų67.618%0.17634%0.338CS..Hα-helixtrans-63.2-40.4177.7-690000112.7W186 E188 L194W186-C190 WeakPolarHBondContact O-CB 3.42Å; W186-C190 PolarHBondContact O-N 3.23Å; W186-C190 PolarHBondContact O-SG 2.72Å; E188-C190 VanDerWaalsContact C-N 3.28Å; E188-C190 PolarHBondContact O-N 2.77Å; C190-L194 WeakPolarHBondContact O-CB 3.41Å; C190-L194 WeakPolarHBondContact O-CD1 3.46Å; C190-L194 VanDerWaalsContact O-CG 3.23Å; C190-L194 WeakPolarHBondContact O-CG 3.43Å; C190-L194 PolarHBondContact O-N 2.69Å
191K75.8Confident68.4Low116 Ų11667.3 Ų67.350%0.50435%0.354SS..Hα-helixtrans-66.9-36.6177.5-73.3165.7-172.1169.60112T187 E188 I189 R195T187-K191 HydrophobicContact CG2-CD 4.38Å; T187-K191 VanDerWaalsContact O-CD 3.26Å; T187-K191 WeakPolarHBondContact O-CD 3.43Å; T187-K191 WeakPolarHBondContact O-CG 3.19Å; T187-K191 PolarHBondContact O-N 2.99Å; E188-K191 CarbonylContact O-C 3.59Å; E188-K191 WeakPolarHBondContact O-CA 3.33Å; E188-K191 WeakPolarHBondContact O-CB 3.46Å; E188-K191 PolarHBondContact O-N 3.43Å; I189-K191 PolarHBondContact O-N 2.92Å; K191-R195 VanDerWaalsContact O-CD 3.25Å; K191-R195 WeakPolarHBondContact O-CD 3.35Å; K191-R195 WeakPolarHBondContact O-CG 3.43Å; K191-R195 PolarHBondContact O-N 3.07Å
192E77.4Confident66Low81 Ų8170.8 Ų70.838%0.37937%0.372SS..Hα-helixtrans-73.6-41.8176.8-66.3-168.4114.400111.9R159 E188 I189 R195 S196R159-E192 IonicContact CZ-OE2 3.37Å; R159-E192 IonicContact NH1-OE2 3.09Å; R159-E192 PolarHBondContact NH1-OE2 2.8Å; R159-E192 IonicContact NH2-OE2 3.97Å; R159-E192 PolarHBondContact NH2-OE2 2.76Å; E188-E192 HydrophobicContact CG-CG 4.31Å; E188-E192 PolarHBondContact O-N 2.86Å; I189-E192 PolarHBondContact O-N 2.86Å; E192-R195 PolarHBondContact O-N 3.47Å; E192-R195 VanDerWaalsContact O-N 3.11Å; E192-S196 PolarHBondContact O-N 2.85Å; E192-S196 PolarHBondContact O-OG 2.83Å
193A69.9Low63.6Low0 Ų073.8 Ų73.80%039%0.386CS..Hα-helixtrans-60-46.1175.300000112W148 L152 I189 R195 S196 R197W148-A193 HydrophobicContact CZ2-CB 4.12Å; L152-A193 HydrophobicContact CD2-CB 3.39Å; I189-A193 VanDerWaalsContact O-CB 3.31Å; I189-A193 WeakPolarHBondContact O-CB 3.4Å; I189-A193 PolarHBondContact O-N 2.83Å; A193-R195 PolarHBondContact O-N 2.79Å; A193-R195 VanDerWaalsContact O-N 3.16Å; A193-S196 PolarHBondContact O-N 3.27Å; A193-R197 HydrophobicContact CB-CG 4.44Å; A193-R197 WeakPolarHBondContact O-CB 3.4Å; A193-R197 PolarHBondContact O-N 2.65Å
194L66.2Low61.2Low93 Ų9372.3 Ų72.349%0.48739%0.386SS..Hα-helixtrans-64.8-15.1176-71.7168.5000114.2W148 C190W148-L194 HydrophobicContact CZ2-CD2 4.35Å; W148-L194 HydrophobicContact CZ2-CG 4.5Å; C190-L194 WeakPolarHBondContact O-CB 3.41Å; C190-L194 WeakPolarHBondContact O-CD1 3.46Å; C190-L194 VanDerWaalsContact O-CG 3.23Å; C190-L194 WeakPolarHBondContact O-CG 3.43Å; C190-L194 PolarHBondContact O-N 2.69Å
195R67.9Low58.7Low191 Ų19173.3 Ų73.372%0.72139%0.394SS*.Hα-helixtrans-94.8-33.4175.1-71.2166.4179.4175-1.7113.1K191 E192 A193K191-R195 VanDerWaalsContact O-CD 3.25Å; K191-R195 WeakPolarHBondContact O-CD 3.35Å; K191-R195 WeakPolarHBondContact O-CG 3.43Å; K191-R195 PolarHBondContact O-N 3.07Å; E192-R195 PolarHBondContact O-N 3.47Å; E192-R195 VanDerWaalsContact O-N 3.11Å; A193-R195 PolarHBondContact O-N 2.79Å; A193-R195 VanDerWaalsContact O-N 3.16Å
196S64.6Low56.1Low16 Ų1677.1 Ų77.111%0.11242%0.42CS..Hα-helixtrans-107.1-38.6-169.454.30000114.7E99 A100 E192 A193E99-S196 CarbonylContact C-O 3.52Å; A100-S196 PolarHBondContact N-O 3.08Å; E192-S196 PolarHBondContact O-N 2.85Å; E192-S196 PolarHBondContact O-OG 2.83Å; A193-S196 PolarHBondContact O-N 3.27Å
197R66.4Low53.7Low6 Ų678.9 Ų78.92%0.02344%0.44CS..SBendtrans-92.1170.4-172-53.2178.1-152.3178.412.1111.2D151 D155 A193D151-R197 PolarHBondContact O-NH1 3.43Å; D151-R197 VanDerWaalsContact O-NH1 3.11Å; D151-R197 IonicContact OD2-CZ 2.78Å; D151-R197 IonicContact OD2-NE 3.67Å; D151-R197 IonicContact OD2-NH1 2.71Å; D151-R197 PolarHBondContact OD2-NH1 3.03Å; D155-R197 IonicContact OD2-CZ 3.89Å; D155-R197 IonicContact OD2-NH1 3.31Å; D155-R197 IonicContact OD2-NH2 2.86Å; D155-R197 PolarHBondContact OD2-NH2 2.85Å; A193-R197 HydrophobicContact CB-CG 4.44Å; A193-R197 WeakPolarHBondContact O-CB 3.4Å; A193-R197 PolarHBondContact O-N 2.65Å
198R56.6Low51.5Low131 Ų13180 Ų8049%0.49446%0.456SS..PPolyproline II helixtrans-78.4122.1179.4-169.2-162.279.6-177.62.2112D144D144-R198 IonicContact OD1-CZ 3.1Å; D144-R198 IonicContact OD1-NH2 3.63Å; D144-R198 PolarHBondContact OD1-NH2 3.36Å; D144-R198 IonicContact OD2-CZ 3.38Å; D144-R198 IonicContact OD2-NH2 2.7Å; D144-R198 PolarHBondContact OD2-NH2 2.99Å
199N53.7Low49.1Very low79 Ų7976.7 Ų76.742%0.42244%0.444SS..PPolyproline II helixtrans-70.3138.6168-73.4-9.3000111.8
200P35.7Very low47.6Very low65 Ų6583.7 Ų83.742%0.42248%0.481SS..SBendtrans-64.8134.9174.9-24.434.9000114.8
201G35.2Very low46.2Very low60 Ų6085.6 Ų85.662%0.61950%0.495SS*.  trans65.486.2150.300000121.2
202L29Very low45.7Very low161 Ų16183 Ų8384%0.84349%0.487SS*.  trans-138.8156.2169.1-98.7149.6000113.3
203T24.4Very low45.6Very low82 Ų8289.5 Ų89.550%0.50351%0.507SS..  trans-150.9143.7-168.8-11.40000116.8K136K136-T203 HydrophobicContact CB-CG2 3.82Å; K136-T203 HydrophobicContact CD-CG2 3.62Å; K136-T203 HydrophobicContact CG-CG2 3.81Å; K136-T203 PolarHBondContact NZ-OG1 3.29Å
204S23.9Very low45.8Very low94 Ų9495 Ų9566%0.65753%0.533SS*.  trans40.6130147.7-65.60000124.4
205A24.3Very low46.3Very low74 Ų7490.7 Ų90.761%0.61251%0.511SS*.  trans-178.8151138.300000112.8K117K117-A205 VanDerWaalsContact CD-O 3.31Å; K117-A205 WeakPolarHBondContact CD-O 3.45Å; K117-A205 PolarHBondContact NZ-O 3.03Å
206S23.9Very low46.7Very low91 Ų9187 Ų8764%0.63650%0.5SS*.  trans-151.9157.8170.574.40000112.5
207V26.4Very low47.5Very low122 Ų12289 Ų8974%0.73951%0.514SS*.  trans-144.5148.7-173.3179.50000110.9
208A29Very low48.4Very low88 Ų8888.9 Ų88.973%0.72751%0.513SS*.  trans-105.8171.8179.700000113.5
209S31.9Very low49.6Very low35 Ų3586.4 Ų86.425%0.24550%0.504CS..  trans-167.6132.9-151.257.60000116.4R124 Y125 T126R124-S209 VanDerWaalsContact C-CB 3.46Å; R124-S209 CarbonylContact O-C 3.49Å; R124-S209 WeakPolarHBondContact O-CA 3.22Å; R124-S209 WeakPolarHBondContact O-CB 3.29Å; Y125-S209 VanDerWaalsContact CA-OG 3.31Å; Y125-S209 WeakPolarHBondContact CA-OG 3.14Å; T126-S209 WeakPolarHBondContact CG2-OG 3.47Å; T126-S209 PolarHBondContact N-OG 3.11Å
210N44.1Very low51Low146 Ų14688.4 Ų88.478%0.78151%0.511SS*.PPolyproline II helixtrans-77.5130-178.5-71.1-21.5000119.3R124 Y125R124-N210 CarbonylContact C-O 3.5Å; R124-N210 CarbonylContact O-C 3.6Å; R124-N210 VanDerWaalsContact O-C 3.24Å; R124-N210 WeakPolarHBondContact O-CA 3.49Å; R124-N210 PolarHBondContact O-N 2.88Å; Y125-N210 WeakPolarHBondContact CB-O 3.21Å
211S44.7Very low53.3Low66 Ų6687 Ų8746%0.46250%0.499SS..PPolyproline II helixtrans-54.8130.1-17864.10000118.4K216S211-K216 WeakPolarHBondContact OG-CE 3.46Å
212N65.6Low55.6Low63 Ų6384.2 Ų84.234%0.33747%0.469SS..PPolyproline II helixtrans-82.6161.6170.6-174.320.2000113.6Y125 E214 K216Y125-N212 HydrophobicContact CD1-CB 3.46Å; Y125-N212 VanDerWaalsContact CD1-CB 3.46Å; Y125-N212 HydrophobicContact CE1-CB 3.24Å; N212-E214 PolarHBondContact ND2-OE2 2.75Å; N212-K216 WeakPolarHBondContact O-CG 3.47Å; N212-K216 PolarHBondContact O-N 2.8Å; N212-K216 VanDerWaalsContact O-N 3.1Å
213R74Confident58Low216 Ų21680.5 Ų80.582%0.81545%0.454SS*.Hα-helixtrans-65.1-42.6177.8-172.2179.6-176.4-1791.3113.2K216 S217R213-K216 WeakPolarHBondContact O-CB 3.5Å; R213-K216 PolarHBondContact O-N 3.16Å; R213-S217 PolarHBondContact O-N 3Å
214E74.5Confident61Low117 Ų11781.8 Ų81.855%0.54745%0.452SS..Hα-helixtrans-63-42.6177.4-67.6165.917600111.5N212 K216 S217 R218N212-E214 PolarHBondContact ND2-OE2 2.75Å; E214-K216 VanDerWaalsContact C-N 3.34Å; E214-K216 PolarHBondContact O-N 2.81Å; E214-S217 CarbonylContact O-C 3.52Å; E214-S217 WeakPolarHBondContact O-CA 3.27Å; E214-S217 WeakPolarHBondContact O-CB 3.46Å; E214-S217 PolarHBondContact O-N 3.14Å; E214-S217 VanDerWaalsContact O-N 3.07Å; E214-R218 PolarHBondContact O-N 3.35Å
215E75.5Confident64.1Low1 Ų177.3 Ų77.31%0.00542%0.421CS..Hα-helixtrans-66-36.2176.2173.361.2-178.200111.9Y125 T127 S217 R218 R219 S321Y125-E215 HydrophobicContact CD2-CB 4.09Å; Y125-E215 HydrophobicContact CD2-CG 3.74Å; Y125-E215 HydrophobicContact CE1-CB 4.27Å; Y125-E215 HydrophobicContact CE2-CB 3.62Å; Y125-E215 HydrophobicContact CE2-CG 3.59Å; Y125-E215 HydrophobicContact CG-CG 4.46Å; T127-E215 WeakPolarHBondContact CG2-OE1 3.48Å; E215-S217 VanDerWaalsContact C-N 3.31Å; E215-S217 PolarHBondContact O-N 3.06Å; E215-R218 PolarHBondContact O-N 3.34Å; E215-R218 IonicContact OE1-CZ 3.91Å; E215-R218 IonicContact OE1-NH2 3.38Å; E215-R218 PolarHBondContact OE1-NH2 2.86Å; E215-R218 IonicContact OE2-CZ 2.74Å; E215-R218 VanDerWaalsContact OE2-CZ 3.31Å; E215-R218 IonicContact OE2-NE 3.26Å; E215-R218 PolarHBondContact OE2-NE 3.03Å; E215-R218 IonicContact OE2-NH2 3.83Å; E215-R218 PolarHBondContact OE2-NH2 2.99Å; E215-R219 WeakPolarHBondContact O-CB 3.39Å; E215-R219 WeakPolarHBondContact O-CG 3.28Å; E215-R219 PolarHBondContact O-N 2.93Å; E215-R219 IonicContact OE1-CZ 3.59Å; E215-R219 IonicContact OE1-NE 3.56Å; E215-R219 PolarHBondContact OE1-NE 2.71Å; E215-R219 IonicContact OE1-NH2 2.66Å; E215-R219 PolarHBondContact OE1-NH2 2.7Å; E215-S321 PolarHBondContact OE2-OG 2.9Å
216K77Confident67.3Low113 Ų11378.5 Ų78.549%0.49141%0.412SS..Hα-helixtrans-60.2-42169.3-71.7177-176.9-1760111.2S211 N212 R213 E214 R219 Q220S211-K216 WeakPolarHBondContact OG-CE 3.46Å; N212-K216 WeakPolarHBondContact O-CG 3.47Å; N212-K216 PolarHBondContact O-N 2.8Å; N212-K216 VanDerWaalsContact O-N 3.1Å; R213-K216 WeakPolarHBondContact O-CB 3.5Å; R213-K216 PolarHBondContact O-N 3.16Å; E214-K216 VanDerWaalsContact C-N 3.34Å; E214-K216 PolarHBondContact O-N 2.81Å; K216-R219 PolarHBondContact O-N 3.24Å; K216-Q220 WeakPolarHBondContact O-CB 3.35Å; K216-Q220 VanDerWaalsContact O-CG 3.27Å; K216-Q220 WeakPolarHBondContact O-CG 3.19Å; K216-Q220 PolarHBondContact O-N 2.89Å
217S82.2Confident70.5Confident58 Ų5874.1 Ų74.141%0.40638%0.382SS..Hα-helixtrans-66.6-40.3175.8-168.50000112.7R213 E214 E215 Q220 Q221R213-S217 PolarHBondContact O-N 3Å; E214-S217 CarbonylContact O-C 3.52Å; E214-S217 WeakPolarHBondContact O-CA 3.27Å; E214-S217 WeakPolarHBondContact O-CB 3.46Å; E214-S217 PolarHBondContact O-N 3.14Å; E214-S217 VanDerWaalsContact O-N 3.07Å; E215-S217 VanDerWaalsContact C-N 3.31Å; E215-S217 PolarHBondContact O-N 3.06Å; S217-Q220 PolarHBondContact O-N 3.28Å; S217-Q221 WeakPolarHBondContact O-CB 3.42Å; S217-Q221 PolarHBondContact O-N 2.89Å
218R85.3Confident73.7Confident4 Ų469.7 Ų69.72%0.01535%0.353CS..Hα-helixtrans-63.6-45.9174.5-167.6-171.166.610313.4111.3L18 D23 E214 E215 Q220 Q221 I222 N320 S321L18-R218 HydrophobicContact CD2-CG 4.16Å; L18-R218 WeakPolarHBondContact O-CD 3.47Å; L18-R218 PolarHBondContact O-NH1 2.67Å; D23-R218 IonicContact OD2-CZ 2.71Å; D23-R218 IonicContact OD2-NH1 3.18Å; D23-R218 PolarHBondContact OD2-NH1 3.07Å; D23-R218 IonicContact OD2-NH2 3.77Å; E214-R218 PolarHBondContact O-N 3.35Å; E215-R218 PolarHBondContact O-N 3.34Å; E215-R218 IonicContact OE1-CZ 3.91Å; E215-R218 IonicContact OE1-NH2 3.38Å; E215-R218 PolarHBondContact OE1-NH2 2.86Å; E215-R218 IonicContact OE2-CZ 2.74Å; E215-R218 VanDerWaalsContact OE2-CZ 3.31Å; E215-R218 IonicContact OE2-NE 3.26Å; E215-R218 PolarHBondContact OE2-NE 3.03Å; E215-R218 IonicContact OE2-NH2 3.83Å; E215-R218 PolarHBondContact OE2-NH2 2.99Å; R218-Q220 PolarHBondContact O-N 3.5Å; R218-Q221 CarbonylContact O-C 3.55Å; R218-Q221 WeakPolarHBondContact O-CA 3.33Å; R218-Q221 WeakPolarHBondContact O-CB 3.36Å; R218-Q221 PolarHBondContact O-N 2.88Å; R218-I222 WeakPolarHBondContact O-CG1 3.32Å; R218-I222 PolarHBondContact O-N 2.83Å; R218-N320 HydrophobicContact CB-CB 4.21Å; R218-S321 WeakPolarHBondContact CD-OG 3.46Å
219R81Confident76.8Confident79 Ų7965.5 Ų65.530%0.29832%0.319SS..Hα-helixtrans-59.7-42.9174.6-69.9-177.2-167.5-160.42.8112.3T126 E215 K216 Q221 I222 T223 L248T126-R219 PolarHBondContact O-NH2 3.39Å; E215-R219 WeakPolarHBondContact O-CB 3.39Å; E215-R219 WeakPolarHBondContact O-CG 3.28Å; E215-R219 PolarHBondContact O-N 2.93Å; E215-R219 IonicContact OE1-CZ 3.59Å; E215-R219 IonicContact OE1-NE 3.56Å; E215-R219 PolarHBondContact OE1-NE 2.71Å; E215-R219 IonicContact OE1-NH2 2.66Å; E215-R219 PolarHBondContact OE1-NH2 2.7Å; K216-R219 PolarHBondContact O-N 3.24Å; R219-Q221 PolarHBondContact O-N 2.98Å; R219-I222 PolarHBondContact O-N 2.88Å; R219-T223 PolarHBondContact O-N 3.24Å; R219-T223 VanDerWaalsContact O-N 3.09Å; R219-T223 PolarHBondContact O-OG1 2.92Å; R219-L248 HydrophobicContact CB-CD2 4.02Å; R219-L248 HydrophobicContact CG-CD1 4.45Å; R219-L248 HydrophobicContact CG-CD2 3.94Å
220Q82.8Confident79.7Confident122 Ų12266.3 Ų66.357%0.5732%0.318SS*.Hα-helixtrans-63.9-25.6172.4-74.7173.3-12.600113.3K216 S217 R218 T223 K224K216-Q220 WeakPolarHBondContact O-CB 3.35Å; K216-Q220 VanDerWaalsContact O-CG 3.27Å; K216-Q220 WeakPolarHBondContact O-CG 3.19Å; K216-Q220 PolarHBondContact O-N 2.89Å; S217-Q220 PolarHBondContact O-N 3.28Å; R218-Q220 PolarHBondContact O-N 3.5Å; Q220-T223 PolarHBondContact O-OG1 2.8Å; Q220-K224 WeakPolarHBondContact O-CE 3.42Å; Q220-K224 WeakPolarHBondContact O-CG 3.49Å
221Q84.5Confident82Confident36 Ų3659.5 Ų59.517%0.16828%0.281CS..Hα-helixtrans-81.7-37.2175-165.265.410.400111.6L18 S217 R218 R219 T223 K224 H225L18-Q221 HydrophobicContact CD1-CB 4.27Å; L18-Q221 HydrophobicContact CD1-CG 4.09Å; L18-Q221 HydrophobicContact CD2-CB 4.43Å; L18-Q221 HydrophobicContact CD2-CG 4.21Å; S217-Q221 WeakPolarHBondContact O-CB 3.42Å; S217-Q221 PolarHBondContact O-N 2.89Å; R218-Q221 CarbonylContact O-C 3.55Å; R218-Q221 WeakPolarHBondContact O-CA 3.33Å; R218-Q221 WeakPolarHBondContact O-CB 3.36Å; R218-Q221 PolarHBondContact O-N 2.88Å; R219-Q221 PolarHBondContact O-N 2.98Å; Q221-T223 VanDerWaalsContact C-N 3.35Å; Q221-T223 PolarHBondContact O-N 2.75Å; Q221-K224 PolarHBondContact O-N 2.89Å; Q221-H225 PolarHBondContact O-N 2.81Å; Q221-H225 PolarHBondContact O-ND1 3.06Å
222I83.7Confident84.2Confident0 Ų057.4 Ų57.40%026%0.264CS..Hα-helixtrans-57.9-47.4171.9-63.1166.6000109.8L18 R218 R219 K224 H225 L246 L248 F250L18-I222 HydrophobicContact CB-CG1 4.07Å; L18-I222 HydrophobicContact CD1-CB 4.34Å; L18-I222 HydrophobicContact CD1-CG1 3.7Å; R218-I222 WeakPolarHBondContact O-CG1 3.32Å; R218-I222 PolarHBondContact O-N 2.83Å; R219-I222 PolarHBondContact O-N 2.88Å; I222-K224 PolarHBondContact O-N 2.97Å; I222-K224 VanDerWaalsContact O-N 3.14Å; I222-H225 WeakPolarHBondContact O-CB 3.36Å; I222-H225 PolarHBondContact O-N 2.81Å; I222-L246 HydrophobicContact CG2-CB 4.36Å; I222-L246 HydrophobicContact CG2-CD2 4.35Å; I222-L246 HydrophobicContact CG2-CG 4.15Å; I222-L248 HydrophobicContact CB-CD2 4.09Å; I222-L248 HydrophobicContact CD1-CD2 3.94Å; I222-L248 HydrophobicContact CG2-CD2 4.04Å; I222-F250 HydrophobicContact CD1-CE1 4.06Å; I222-F250 HydrophobicContact CD1-CE2 4.24Å; I222-F250 HydrophobicContact CD1-CZ 3.53Å; I222-F250 HydrophobicContact CG1-CE1 4.1Å; I222-F250 HydrophobicContact CG1-CZ 4.05Å
223T80.2Confident85.2Confident84 Ų8456 Ų5652%0.51526%0.255SS..THydrogen-bonded Turntrans-69.4-10.8-179.256.70000114.8R219 Q220 Q221R219-T223 PolarHBondContact O-N 3.24Å; R219-T223 VanDerWaalsContact O-N 3.09Å; R219-T223 PolarHBondContact O-OG1 2.92Å; Q220-T223 PolarHBondContact O-OG1 2.8Å; Q221-T223 VanDerWaalsContact C-N 3.35Å; Q221-T223 PolarHBondContact O-N 2.75Å
224K86.4Confident85.7Confident108 Ų10848.1 Ų48.147%0.4723%0.228SC..THydrogen-bonded Turntrans-84.6-23.6167.3-66.8173.9-154.4164.40113.2Q220 Q221 I222 K226Q220-K224 WeakPolarHBondContact O-CE 3.42Å; Q220-K224 WeakPolarHBondContact O-CG 3.49Å; Q221-K224 PolarHBondContact O-N 2.89Å; I222-K224 PolarHBondContact O-N 2.97Å; I222-K224 VanDerWaalsContact O-N 3.14Å; K224-K226 PolarHBondContact O-N 3.23Å
225H89.1Confident86.2Confident0 Ų045.3 Ų45.30%023%0.23CC..  trans-68.5130.3178.5-74.147.3000109.2H16 L18 Q221 I222 P245 L246 E275 S276 T277 Y318H16-H225 AromaticContact CE1-CD2 3.54Å; H16-H225 AromaticContact CE1-NE2 3.86Å; H16-H225 AromaticContact NE2-CD2 3.7Å; L18-H225 WeakPolarHBondContact CD1-CE1 3.45Å; Q221-H225 PolarHBondContact O-N 2.81Å; Q221-H225 PolarHBondContact O-ND1 3.06Å; I222-H225 WeakPolarHBondContact O-CB 3.36Å; I222-H225 PolarHBondContact O-N 2.81Å; H225-P245 CarbonylContact O-C 3.59Å; H225-P245 WeakPolarHBondContact O-CA 3.48Å; H225-L246 HydrophobicContact CB-CB 3.96Å; H225-L246 HydrophobicContact CB-CD2 3.99Å; H225-L246 PolarHBondContact O-N 3.31Å; H225-E275 IonicContact CD2-OE1 2.85Å; H225-E275 IonicContact CD2-OE2 2.78Å; H225-S276 WeakPolarHBondContact CA-O 3.3Å; H225-T277 WeakPolarHBondContact CE1-CG2 3.4Å; H225-Y318 AromaticContact CE1-CZ 3.73Å; H225-Y318 PolarHBondContact CE1-OH 2.84Å; H225-Y318 AromaticContact NE2-CE2 3.82Å; H225-Y318 AromaticContact NE2-CZ 3.51Å; H225-Y318 PolarHBondContact NE2-OH 2.88Å
226K90.7Very high86.7Confident99 Ų9953.2 Ų53.243%0.4327%0.265SS..EExtended strand (participates in β ladder)trans-128.4142.1176.4-57.2178.6-165.1169.40109.4K224 S243 R244 E275 S276 W281K224-K226 PolarHBondContact O-N 3.23Å; K226-S243 WeakPolarHBondContact CB-OG 3.12Å; K226-S243 VanDerWaalsContact CD-OG 3.29Å; K226-S243 WeakPolarHBondContact CD-OG 3.44Å; K226-R244 CarbonylContact C-O 3.57Å; K226-R244 VanDerWaalsContact CA-O 3.24Å; K226-R244 WeakPolarHBondContact CA-O 3.29Å; K226-E275 CarbonylContact O-C 3.47Å; K226-E275 WeakPolarHBondContact O-CA 3.35Å; K226-S276 PolarHBondContact N-O 3.04Å; K226-S276 PolarHBondContact O-N 3.44Å; K226-W281 HydrophobicContact CB-CH2 4Å; K226-W281 VanDerWaalsContact O-CZ3 3.27Å; K226-W281 WeakPolarHBondContact O-CZ3 3.24Å
227V92Very high87.3Confident0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-117.7139.4-177.5-1800000109.6L11 F13 L229 R244 V252 L273 Y274L11-V227 HydrophobicContact CD2-CG1 3.81Å; F13-V227 HydrophobicContact CE2-CG2 4.48Å; V227-L229 HydrophobicContact CG1-CD1 4.49Å; V227-R244 PolarHBondContact N-O 2.94Å; V227-R244 PolarHBondContact O-N 2.93Å; V227-V252 HydrophobicContact CB-CG2 4.19Å; V227-V252 HydrophobicContact CG2-CG2 4.02Å; V227-L273 HydrophobicContact CG1-CD1 3.42Å; V227-L273 VanDerWaalsContact CG1-CD1 3.42Å; V227-Y274 WeakPolarHBondContact CA-O 3.21Å
228M92.9Very high87.5Confident28 Ų2852.8 Ų52.814%0.13826%0.263CS..EExtended strand (participates in β ladder)trans-134.5154.3170.771.8-170.9-63.700110.2K230 S240 T241 Y274 W281M228-K230 HydrophobicContact CE-CG 4.39Å; M228-S240 WeakPolarHBondContact CE-OG 3.43Å; M228-T241 WeakPolarHBondContact CA-OG1 3.39Å; M228-Y274 PolarHBondContact N-O 2.68Å; M228-Y274 PolarHBondContact O-N 3.17Å; M228-W281 HydrophobicContact CB-CE3 4.48Å; M228-W281 HydrophobicContact CB-CH2 4.03Å; M228-W281 HydrophobicContact CB-CZ3 3.86Å; M228-W281 HydrophobicContact CG-CD2 4.2Å; M228-W281 HydrophobicContact CG-CE3 3.58Å; M228-W281 HydrophobicContact CG-CH2 3.97Å; M228-W281 HydrophobicContact CG-CZ3 3.45Å; M228-W281 VanDerWaalsContact CG-CZ3 3.45Å; M228-W281 HydrophobicContact SD-CD2 3.34Å; M228-W281 VanDerWaalsContact SD-CE2 3.56Å; M228-W281 HydrophobicContact SD-CE3 3.38Å; M228-W281 HydrophobicContact SD-CG 4.01Å; M228-W281 HydrophobicContact SD-CH2 3.83Å; M228-W281 HydrophobicContact SD-CZ2 3.8Å; M228-W281 HydrophobicContact SD-CZ3 3.64Å
229L93.7Very high87.7Confident1 Ų154.1 Ų54.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-123.1125.3171.1-59.289.1000109.5V227 S240 T241 L254 L271 K272 L273 L287 L347V227-L229 HydrophobicContact CG1-CD1 4.49Å; L229-S240 CarbonylContact O-C 3.58Å; L229-S240 WeakPolarHBondContact O-CA 3.46Å; L229-T241 HydrophobicContact CB-CG2 3.94Å; L229-T241 HydrophobicContact CD1-CG2 4.2Å; L229-T241 PolarHBondContact N-OG1 3.32Å; L229-T241 PolarHBondContact O-N 3.33Å; L229-L254 HydrophobicContact CD1-CD1 3.75Å; L229-L254 HydrophobicContact CD1-CD2 3.74Å; L229-L254 HydrophobicContact CD1-CG 4.43Å; L229-L271 HydrophobicContact CB-CD2 4.1Å; L229-L271 HydrophobicContact CD2-CB 4.26Å; L229-L271 HydrophobicContact CD2-CD1 4.46Å; L229-L271 HydrophobicContact CD2-CD2 4.5Å; L229-K272 CarbonylContact C-O 3.51Å; L229-K272 WeakPolarHBondContact CA-O 3.35Å; L229-L273 HydrophobicContact CD1-CD1 4.12Å; L229-L273 HydrophobicContact CD2-CD1 4.12Å; L229-L273 HydrophobicContact CG-CD1 3.77Å; L229-L287 HydrophobicContact CD2-CD1 4.35Å; L229-L347 HydrophobicContact CD2-CD1 4.47Å; L229-L347 HydrophobicContact CD2-CD2 3.68Å
230K93.5Very high88Confident51 Ų5152.3 Ų52.322%0.22227%0.272CS..EExtended strand (participates in β ladder)trans-91.7124170.5-76.6165.3161.4-82.80108.9M228 F232 E237 L271 K272 Y274M228-K230 HydrophobicContact CE-CG 4.39Å; K230-F232 HydrophobicContact CB-CD2 4.43Å; K230-F232 HydrophobicContact CB-CE2 3.66Å; K230-F232 HydrophobicContact CB-CZ 4.42Å; K230-F232 WeakPolarHBondContact O-CD2 3.37Å; K230-E237 HydrophobicContact CB-CG 4.33Å; K230-E237 WeakPolarHBondContact CD-OE2 3.33Å; K230-E237 IonicContact NZ-OE1 2.76Å; K230-E237 PolarHBondContact NZ-OE1 3Å; K230-E237 IonicContact NZ-OE2 3.15Å; K230-E237 PolarHBondContact NZ-OE2 2.84Å; K230-L271 WeakPolarHBondContact O-CA 3.43Å; K230-K272 PolarHBondContact N-O 2.65Å; K230-K272 PolarHBondContact O-N 2.74Å; K230-Y274 HydrophobicContact CB-CE2 4.15Å; K230-Y274 HydrophobicContact CD-CD2 4.15Å; K230-Y274 HydrophobicContact CD-CE2 3.56Å; K230-Y274 HydrophobicContact CG-CE2 4.19Å
231L91.9Very high88.4Confident3 Ų347 Ų472%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-91.6130.6179.8177.659.9000110.1I6 E237 V238 C239 L260 I269 L271I6-L231 HydrophobicContact CD1-CD1 3.99Å; I6-L231 HydrophobicContact CD1-CD2 3.84Å; L231-E237 WeakPolarHBondContact O-CA 3.42Å; L231-V238 HydrophobicContact CG-CG2 4.49Å; L231-V238 PolarHBondContact O-N 3.32Å; L231-C239 PolarHBondContact N-O 3.44Å; L231-L260 HydrophobicContact CD2-CD1 3.82Å; L231-L260 HydrophobicContact CD2-CD2 4.32Å; L231-L260 HydrophobicContact CD2-CG 4.29Å; L231-L260 HydrophobicContact CG-CD1 4.4Å; L231-I269 HydrophobicContact CD1-CG2 3.74Å; L231-L271 HydrophobicContact CB-CD2 3.92Å; L231-L271 HydrophobicContact CD1-CD2 3.76Å; L231-L271 HydrophobicContact CD1-CG 4.1Å; L231-L271 HydrophobicContact CG-CD2 4.4Å
232F91.6Very high88.5Confident22 Ų2248.3 Ų48.310%0.09627%0.265CS..EExtended strand (participates in β ladder)trans-119.1134.2177.8-67.4-105.9000110.7K230 K236 E237 I269 T270 K272K230-F232 HydrophobicContact CB-CD2 4.43Å; K230-F232 HydrophobicContact CB-CE2 3.66Å; K230-F232 HydrophobicContact CB-CZ 4.42Å; K230-F232 WeakPolarHBondContact O-CD2 3.37Å; F232-K236 CarbonylContact C-O 3.53Å; F232-K236 WeakPolarHBondContact CA-O 3.31Å; F232-E237 HydrophobicContact CD1-CB 4Å; F232-E237 VanDerWaalsContact CD1-N 3.34Å; F232-E237 HydrophobicContact CE1-CB 3.64Å; F232-E237 HydrophobicContact CE1-CG 4.21Å; F232-E237 HydrophobicContact CE2-CB 4.49Å; F232-E237 HydrophobicContact CE2-CG 4.19Å; F232-E237 HydrophobicContact CZ-CB 3.89Å; F232-E237 HydrophobicContact CZ-CG 3.94Å; F232-I269 WeakPolarHBondContact O-CA 3.43Å; F232-T270 PolarHBondContact N-O 2.85Å; F232-T270 PolarHBondContact O-N 2.74Å; F232-K272 HydrophobicContact CD2-CB 4.45Å; F232-K272 HydrophobicContact CD2-CD 4.22Å; F232-K272 HydrophobicContact CD2-CG 3.91Å; F232-K272 HydrophobicContact CE2-CB 3.95Å; F232-K272 HydrophobicContact CE2-CD 3.56Å; F232-K272 HydrophobicContact CE2-CG 3.6Å; F232-K272 HydrophobicContact CZ-CD 3.86Å; F232-K272 HydrophobicContact CZ-CG 4.4Å
233Y86.7Confident88.8Confident35 Ų3550.8 Ų50.814%0.13728%0.282CS..EExtended strand (participates in β ladder)trans-117.4124.4172.2169.1-85.3000108.4L4 G235 K236 V238 V262 E264 P266L4-Y233 HydrophobicContact CD2-CD2 4.39Å; Y233-G235 PolarHBondContact O-N 3Å; Y233-G235 VanDerWaalsContact O-N 3.1Å; Y233-K236 PolarHBondContact N-O 3.31Å; Y233-K236 PolarHBondContact O-N 3.03Å; Y233-V238 VanDerWaalsContact CB-CG2 3.49Å; Y233-V262 HydrophobicContact CD2-CG1 3.93Å; Y233-V262 HydrophobicContact CE1-CG1 4.45Å; Y233-V262 HydrophobicContact CE2-CB 4Å; Y233-V262 HydrophobicContact CE2-CG1 3.49Å; Y233-V262 VanDerWaalsContact CE2-CG1 3.49Å; Y233-E264 PolarHBondContact OH-O 3.47Å; Y233-P266 HydrophobicContact CD2-CB 4.07Å; Y233-P266 HydrophobicContact CE2-CB 3.62Å; Y233-P266 HydrophobicContact CE2-CG 4.46Å
234N85.4Confident89.3Confident50 Ų5051.9 Ų51.927%0.26728%0.277SS..THydrogen-bonded Turntrans48.538.1-177.6-64-3.4000113.2K236 K267 S268N234-K236 VanDerWaalsContact C-N 3.34Å; N234-K236 PolarHBondContact O-N 2.93Å; N234-K267 WeakPolarHBondContact OD1-CA 3.42Å; N234-K267 PolarHBondContact OD1-N 3.04Å; N234-S268 PolarHBondContact N-O 2.92Å; N234-S268 PolarHBondContact OD1-N 3.5Å; N234-S268 VanDerWaalsContact OD1-N 3.16Å; N234-S268 PolarHBondContact OD1-O 2.93Å
235G84.1Confident89.3Confident57 Ų5750 Ų5059%0.58828%0.276SS*.THydrogen-bonded Turntrans82.2-6-179.800000116.4Y233Y233-G235 PolarHBondContact O-N 3Å; Y233-G235 VanDerWaalsContact O-N 3.1Å
236K86.6Confident89.2Confident168 Ų16850.2 Ų50.273%0.7328%0.277SS*.EExtended strand (participates in β ladder)trans-98.1136.1175.2-63.3-171.7177.5-172.30110.7F232 Y233 N234F232-K236 CarbonylContact C-O 3.53Å; F232-K236 WeakPolarHBondContact CA-O 3.31Å; Y233-K236 PolarHBondContact N-O 3.31Å; Y233-K236 PolarHBondContact O-N 3.03Å; N234-K236 VanDerWaalsContact C-N 3.34Å; N234-K236 PolarHBondContact O-N 2.93Å
237E89.6Confident88.8Confident90 Ų9049.2 Ų49.242%0.42128%0.277SS..EExtended strand (participates in β ladder)trans-65.7134.9172.3-162.3177.4134.100109.5K230 L231 F232K230-E237 HydrophobicContact CB-CG 4.33Å; K230-E237 WeakPolarHBondContact CD-OE2 3.33Å; K230-E237 IonicContact NZ-OE1 2.76Å; K230-E237 PolarHBondContact NZ-OE1 3Å; K230-E237 IonicContact NZ-OE2 3.15Å; K230-E237 PolarHBondContact NZ-OE2 2.84Å; L231-E237 WeakPolarHBondContact O-CA 3.42Å; F232-E237 HydrophobicContact CD1-CB 4Å; F232-E237 VanDerWaalsContact CD1-N 3.34Å; F232-E237 HydrophobicContact CE1-CB 3.64Å; F232-E237 HydrophobicContact CE1-CG 4.21Å; F232-E237 HydrophobicContact CE2-CB 4.49Å; F232-E237 HydrophobicContact CE2-CG 4.19Å; F232-E237 HydrophobicContact CZ-CB 3.89Å; F232-E237 HydrophobicContact CZ-CG 3.94Å
238V86.6Confident88.1Confident72 Ų7253.2 Ų53.244%0.43630%0.297SS..EExtended strand (participates in β ladder)trans-119.6-35.7-175.9-130.20000112.5L231 Y233 L260L231-V238 HydrophobicContact CG-CG2 4.49Å; L231-V238 PolarHBondContact O-N 3.32Å; Y233-V238 VanDerWaalsContact CB-CG2 3.49Å; V238-L260 HydrophobicContact CB-CD1 4.26Å; V238-L260 HydrophobicContact CB-CD2 3.84Å; V238-L260 HydrophobicContact CG1-CD1 4.39Å; V238-L260 HydrophobicContact CG1-CD2 3.82Å; V238-L260 HydrophobicContact CG2-CD1 3.99Å; V238-L260 HydrophobicContact CG2-CD2 4.48Å
239C88.1Confident87.5Confident32 Ų3256.2 Ų56.222%0.21631%0.314CS..EExtended strand (participates in β ladder)trans-158171.5170.970.60000110.9L231 Y258L231-C239 PolarHBondContact N-O 3.44Å; C239-Y258 HydrophobicContact CB-CD1 4.41Å; C239-Y258 VanDerWaalsContact SG-CD1 3.52Å
240S88.8Confident87.1Confident41 Ų4156.3 Ų56.329%0.28731%0.314SS..EExtended strand (participates in β ladder)trans-123.1149.9166.4179.70000109.7M228 L229M228-S240 WeakPolarHBondContact CE-OG 3.43Å; L229-S240 CarbonylContact O-C 3.58Å; L229-S240 WeakPolarHBondContact O-CA 3.46Å
241T90.3Very high86.8Confident9 Ų954 Ų546%0.05531%0.305CS..  trans-65.3157.8163.670.80000110.6L8 M228 L229 Y258L8-T241 HydrophobicContact CD1-CG2 3.6Å; M228-T241 WeakPolarHBondContact CA-OG1 3.39Å; L229-T241 HydrophobicContact CB-CG2 3.94Å; L229-T241 HydrophobicContact CD1-CG2 4.2Å; L229-T241 PolarHBondContact N-OG1 3.32Å; L229-T241 PolarHBondContact O-N 3.33Å; T241-Y258 WeakPolarHBondContact CA-OH 3.43Å; T241-Y258 HydrophobicContact CG2-CE2 3.95Å
242A87.6Confident86.6Confident64 Ų6454 Ų5453%0.52930%0.304SS..  trans-58.9145.6158.400000109.6R244A242-R244 PolarHBondContact O-N 3.28Å
243S89.5Confident86.3Confident53 Ų5356.1 Ų56.137%0.37133%0.326SS..  trans-68.7111.8172.2149.30000109.6K226K226-S243 WeakPolarHBondContact CB-OG 3.12Å; K226-S243 VanDerWaalsContact CD-OG 3.29Å; K226-S243 WeakPolarHBondContact CD-OG 3.44Å
244R89.4Confident86.4Confident106 Ų10654.5 Ų54.540%0.432%0.32SS..EExtended strand (participates in β ladder)trans-103.1138.8178.9-66.5-69.2-159178.55.6110.7K226 V227 A242 V252 L254K226-R244 CarbonylContact C-O 3.57Å; K226-R244 VanDerWaalsContact CA-O 3.24Å; K226-R244 WeakPolarHBondContact CA-O 3.29Å; V227-R244 PolarHBondContact N-O 2.94Å; V227-R244 PolarHBondContact O-N 2.93Å; A242-R244 PolarHBondContact O-N 3.28Å; R244-V252 HydrophobicContact CB-CG1 3.42Å; R244-V252 VanDerWaalsContact CB-CG1 3.42Å; R244-V252 HydrophobicContact CG-CG1 4.14Å; R244-L254 HydrophobicContact CG-CD2 4.4Å; R244-L254 PolarHBondContact NE-O 3.41Å; R244-L254 PolarHBondContact NH2-O 3.16Å
245P87.9Confident86.1Confident70 Ų7055.1 Ų55.146%0.45534%0.339SS..EExtended strand (participates in β ladder)trans-68.3155.4174.130.9-35.3000111.9H225H225-P245 CarbonylContact O-C 3.59Å; H225-P245 WeakPolarHBondContact O-CA 3.48Å
246L87.1Confident86.2Confident3 Ų353.6 Ų53.62%0.01632%0.319CS..PPolyproline II helixtrans-83.5128173.6-17358.6000110.6F13 I222 H225 F250 V252F13-L246 HydrophobicContact CD2-CD1 4Å; F13-L246 HydrophobicContact CE2-CD1 3.89Å; I222-L246 HydrophobicContact CG2-CB 4.36Å; I222-L246 HydrophobicContact CG2-CD2 4.35Å; I222-L246 HydrophobicContact CG2-CG 4.15Å; H225-L246 HydrophobicContact CB-CB 3.96Å; H225-L246 HydrophobicContact CB-CD2 3.99Å; H225-L246 PolarHBondContact O-N 3.31Å; L246-F250 HydrophobicContact CD2-CD1 4.01Å; L246-F250 HydrophobicContact CD2-CE1 4.39Å; L246-F250 HydrophobicContact CG-CD1 4.45Å; L246-V252 HydrophobicContact CD1-CG2 3.75Å
247N82.2Confident86.2Confident79 Ų7948.9 Ų48.942%0.42231%0.307SS..PPolyproline II helixtrans-76.9162.6176-71.7-7.4000111.9D249 F250 C251N247-D249 WeakPolarHBondContact CB-OD1 3.47Å; N247-D249 PolarHBondContact O-N 2.87Å; N247-F250 WeakPolarHBondContact O-CA 3.47Å; N247-F250 PolarHBondContact O-N 3.38Å; N247-C251 VanDerWaalsContact CB-O 3.31Å; N247-C251 WeakPolarHBondContact CB-O 3.47Å; N247-C251 PolarHBondContact N-O 2.8Å
248L77.8Confident86.2Confident83 Ų8346.9 Ų46.944%0.43530%0.296SS..THydrogen-bonded Turntrans-66.3-14.9175.5-61.1-177.7000114.3R219 I222 F250R219-L248 HydrophobicContact CB-CD2 4.02Å; R219-L248 HydrophobicContact CG-CD1 4.45Å; R219-L248 HydrophobicContact CG-CD2 3.94Å; I222-L248 HydrophobicContact CB-CD2 4.09Å; I222-L248 HydrophobicContact CD1-CD2 3.94Å; I222-L248 HydrophobicContact CG2-CD2 4.04Å; L248-F250 VanDerWaalsContact C-N 3.26Å
249D78.5Confident86.2Confident91 Ų9146.2 Ų46.249%0.48729%0.294SS..THydrogen-bonded Turntrans-89.615.3169.572.4-37.3000112.7K10 N247 C251K10-D249 IonicContact NZ-OD2 2.69Å; N247-D249 WeakPolarHBondContact CB-OD1 3.47Å; N247-D249 PolarHBondContact O-N 2.87Å; D249-C251 PolarHBondContact O-N 3.29Å; D249-C251 PolarHBondContact O-SG 2.85Å; D249-C251 WeakPolarHBondContact OD1-CB 3.5Å; D249-C251 WeakPolarHBondContact OD2-CB 3.32Å; D249-C251 PolarHBondContact OD2-SG 3.35Å
250F87.3Confident86.1Confident4 Ų445.2 Ų45.22%0.01829%0.287CS..SBendtrans51.736.6-176.6-65.7-81.2000113.8F13 H16 L18 F19 I222 L246 N247 L248F13-F250 HydrophobicContact CB-CB 4.27Å; F13-F250 WeakPolarHBondContact CD2-O 3.36Å; F13-F250 PolarHBondContact N-O 2.76Å; H16-F250 HydrophobicContact CB-CD1 3.73Å; H16-F250 HydrophobicContact CB-CE1 4.14Å; H16-F250 HydrophobicContact CB-CG 4.46Å; H16-F250 AromaticContact CG-CD1 3.82Å; H16-F250 AromaticContact ND1-CD1 3.71Å; H16-F250 AromaticContact ND1-CE1 3.45Å; H16-F250 WeakPolarHBondContact ND1-CE1 3.39Å; L18-F250 HydrophobicContact CB-CE1 3.9Å; L18-F250 HydrophobicContact CB-CZ 4.12Å; L18-F250 WeakPolarHBondContact O-CZ 3.18Å; F19-F250 AromaticContact CD1-CD1 3.95Å; F19-F250 HydrophobicContact CD1-CD1 3.95Å; F19-F250 AromaticContact CD1-CD2 3.66Å; F19-F250 HydrophobicContact CD1-CD2 3.66Å; F19-F250 HydrophobicContact CD1-CE1 4.04Å; F19-F250 AromaticContact CD1-CE2 3.74Å; F19-F250 HydrophobicContact CD1-CE2 3.74Å; F19-F250 AromaticContact CD1-CG 3.77Å; F19-F250 HydrophobicContact CD1-CG 3.77Å; F19-F250 AromaticContact CD1-CZ 3.93Å; F19-F250 HydrophobicContact CD1-CZ 3.93Å; F19-F250 HydrophobicContact CE1-CB 3.68Å; F19-F250 AromaticContact CE1-CD1 3.89Å; F19-F250 HydrophobicContact CE1-CD1 3.89Å; F19-F250 AromaticContact CE1-CD2 3.51Å; F19-F250 HydrophobicContact CE1-CD2 3.51Å; F19-F250 HydrophobicContact CE1-CE1 4.45Å; F19-F250 HydrophobicContact CE1-CE2 4.1Å; F19-F250 AromaticContact CE1-CG 3.39Å; F19-F250 HydrophobicContact CE1-CG 3.39Å; F19-F250 HydrophobicContact CZ-CB 4.47Å; F19-F250 HydrophobicContact CZ-CD2 4.46Å; F19-F250 HydrophobicContact CZ-CG 4.48Å; I222-F250 HydrophobicContact CD1-CE1 4.06Å; I222-F250 HydrophobicContact CD1-CE2 4.24Å; I222-F250 HydrophobicContact CD1-CZ 3.53Å; I222-F250 HydrophobicContact CG1-CE1 4.1Å; I222-F250 HydrophobicContact CG1-CZ 4.05Å; L246-F250 HydrophobicContact CD2-CD1 4.01Å; L246-F250 HydrophobicContact CD2-CE1 4.39Å; L246-F250 HydrophobicContact CG-CD1 4.45Å; N247-F250 WeakPolarHBondContact O-CA 3.47Å; N247-F250 PolarHBondContact O-N 3.38Å; L248-F250 VanDerWaalsContact C-N 3.26Å
251C87Confident85.9Confident3 Ų349 Ų492%0.0230%0.303CS..EExtended strand (participates in β ladder)trans-117.2155.1177.1-67.20000111.6K10 L11 M12 N247 D249K10-C251 WeakPolarHBondContact CE-SG 3.46Å; K10-C251 PolarHBondContact NZ-SG 3.48Å; L11-C251 WeakPolarHBondContact O-CA 3.47Å; M12-C251 VanDerWaalsContact CG-SG 3.59Å; N247-C251 VanDerWaalsContact CB-O 3.31Å; N247-C251 WeakPolarHBondContact CB-O 3.47Å; N247-C251 PolarHBondContact N-O 2.8Å; D249-C251 PolarHBondContact O-N 3.29Å; D249-C251 PolarHBondContact O-SG 2.85Å; D249-C251 WeakPolarHBondContact OD1-CB 3.5Å; D249-C251 WeakPolarHBondContact OD2-CB 3.32Å; D249-C251 PolarHBondContact OD2-SG 3.35Å
252V87Confident85.5Confident1 Ų149 Ų491%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-129.6117170.5-171.50000108.6K10 L11 V227 R244 L246 L254K10-V252 WeakPolarHBondContact CA-O 3.42Å; L11-V252 HydrophobicContact CB-CB 4.14Å; L11-V252 HydrophobicContact CD2-CG2 4.4Å; L11-V252 PolarHBondContact N-O 2.7Å; L11-V252 PolarHBondContact O-N 2.92Å; V227-V252 HydrophobicContact CB-CG2 4.19Å; V227-V252 HydrophobicContact CG2-CG2 4.02Å; R244-V252 HydrophobicContact CB-CG1 3.42Å; R244-V252 VanDerWaalsContact CB-CG1 3.42Å; R244-V252 HydrophobicContact CG-CG1 4.14Å; L246-V252 HydrophobicContact CD1-CG2 3.75Å; V252-L254 HydrophobicContact CG1-CD2 3.88Å; V252-L254 HydrophobicContact CG1-CG 4.47Å; V252-L254 PolarHBondContact O-N 3.09Å
253A86Confident84.9Confident67 Ų6754.1 Ų54.155%0.55431%0.313SS*.EExtended strand (participates in β ladder)trans-77.3111.2167.600000108.4
254L87.1Confident84.4Confident1 Ų157.4 Ų57.41%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-84.9-53-178.7-65.1171.4000109.2L8 S9 L11 L229 R244 V252 S256 L347L8-L254 HydrophobicContact CB-CB 3.94Å; L8-L254 HydrophobicContact CB-CD1 3.83Å; L8-L254 HydrophobicContact CD1-CD1 4.41Å; L8-L254 WeakPolarHBondContact O-CB 3.41Å; S9-L254 PolarHBondContact O-N 3.43Å; S9-L254 VanDerWaalsContact O-N 3.14Å; L11-L254 HydrophobicContact CB-CD1 4.44Å; L229-L254 HydrophobicContact CD1-CD1 3.75Å; L229-L254 HydrophobicContact CD1-CD2 3.74Å; L229-L254 HydrophobicContact CD1-CG 4.43Å; R244-L254 HydrophobicContact CG-CD2 4.4Å; R244-L254 PolarHBondContact NE-O 3.41Å; R244-L254 PolarHBondContact NH2-O 3.16Å; V252-L254 HydrophobicContact CG1-CD2 3.88Å; V252-L254 HydrophobicContact CG1-CG 4.47Å; V252-L254 PolarHBondContact O-N 3.09Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-S256 PolarHBondContact O-N 3.31Å; L254-L347 HydrophobicContact CD1-CD1 3.61Å
255G80.3Confident83.7Confident64 Ų6454.3 Ų54.366%0.6631%0.311SS*.EExtended strand (participates in β ladder)trans6034.8168.300000113.8L8 S9L8-G255 PolarHBondContact O-N 2.8Å; S9-G255 PolarHBondContact O-N 3.01Å
256S85Confident83.2Confident24 Ų2451 Ų5117%0.16829%0.29CS..EExtended strand (participates in β ladder)trans-136.6135.8-170.850.90000112.9L8 L254 Y258L8-S256 PolarHBondContact N-O 3.25Å; L8-S256 PolarHBondContact O-N 2.85Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-S256 PolarHBondContact O-N 3.31Å; S256-Y258 WeakPolarHBondContact CB-OH 3.45Å; S256-Y258 WeakPolarHBondContact OG-CE2 3.5Å; S256-Y258 PolarHBondContact OG-OH 3.24Å; S256-Y258 VanDerWaalsContact OG-OH 3.08Å
257S87.7Confident83Confident70 Ų7059.1 Ų59.149%0.4933%0.325SS..EExtended strand (participates in β ladder)trans-107.6133173.8-57.20000110.5I6 T7I6-S257 CarbonylContact O-C 3.53Å; I6-S257 WeakPolarHBondContact O-CA 3.29Å; T7-S257 WeakPolarHBondContact CG2-OG 3.39Å; T7-S257 PolarHBondContact OG1-OG 3.47Å
258Y88.3Confident83.1Confident47 Ų4757.6 Ų57.618%0.18432%0.32CS..EExtended strand (participates in β ladder)trans-112.8122.7177.6-62.5-81.2000109.2V5 I6 L8 C239 T241 S256V5-Y258 WeakPolarHBondContact CA-O 3.44Å; I6-Y258 PolarHBondContact N-O 3.12Å; I6-Y258 PolarHBondContact O-N 3.19Å; L8-Y258 HydrophobicContact CD1-CD2 4.43Å; L8-Y258 HydrophobicContact CD1-CE2 4.1Å; L8-Y258 HydrophobicContact CG-CE2 4.43Å; C239-Y258 HydrophobicContact CB-CD1 4.41Å; C239-Y258 VanDerWaalsContact SG-CD1 3.52Å; T241-Y258 WeakPolarHBondContact CA-OH 3.43Å; T241-Y258 HydrophobicContact CG2-CE2 3.95Å; S256-Y258 WeakPolarHBondContact CB-OH 3.45Å; S256-Y258 WeakPolarHBondContact OG-CE2 3.5Å; S256-Y258 PolarHBondContact OG-OH 3.24Å; S256-Y258 VanDerWaalsContact OG-OH 3.08Å
259S87.3Confident83.6Confident58 Ų5853.8 Ų53.841%0.40630%0.301SS..EExtended strand (participates in β ladder)trans-97.8128.3172.7-173.90000110.5E3 L4E3-S259 VanDerWaalsContact CD-OG 3.22Å; E3-S259 WeakPolarHBondContact CG-OG 3.48Å; E3-S259 PolarHBondContact OE1-OG 2.99Å; L4-S259 CarbonylContact O-C 3.38Å; L4-S259 WeakPolarHBondContact O-CA 3.45Å
260L85.7Confident84.2Confident11 Ų1151 Ų516%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-115.6123.7178.2-57.8-174.9000110.3E3 L4 I6 L231 V238 V262E3-L260 WeakPolarHBondContact CA-O 3.46Å; L4-L260 HydrophobicContact CB-CB 4.35Å; L4-L260 HydrophobicContact CD2-CD1 4.46Å; L4-L260 PolarHBondContact N-O 2.93Å; L4-L260 PolarHBondContact O-N 2.63Å; I6-L260 HydrophobicContact CD1-CD1 4.3Å; L231-L260 HydrophobicContact CD2-CD1 3.82Å; L231-L260 HydrophobicContact CD2-CD2 4.32Å; L231-L260 HydrophobicContact CD2-CG 4.29Å; L231-L260 HydrophobicContact CG-CD1 4.4Å; V238-L260 HydrophobicContact CB-CD1 4.26Å; V238-L260 HydrophobicContact CB-CD2 3.84Å; V238-L260 HydrophobicContact CG1-CD1 4.39Å; V238-L260 HydrophobicContact CG1-CD2 3.82Å; V238-L260 HydrophobicContact CG2-CD1 3.99Å; V238-L260 HydrophobicContact CG2-CD2 4.48Å; L260-V262 HydrophobicContact CB-CG1 4.18Å; L260-V262 PolarHBondContact O-N 3.14Å
261L84Confident84.5Confident120 Ų12050.9 Ų50.963%0.62829%0.286SS*.EExtended strand (participates in β ladder)trans-85.3110.6171.8-68.2175.1000110.3M1 F2 E3M1-L261 HydrophobicContact SD-CB 4.12Å; M1-L261 HydrophobicContact SD-CD1 4.15Å; F2-L261 CarbonylContact O-C 3.3Å; F2-L261 WeakPolarHBondContact O-CA 3.37Å; E3-L261 HydrophobicContact CB-CD2 4.21Å; E3-L261 HydrophobicContact CG-CD2 4.24Å
262V83.5Confident84.8Confident9 Ų953.8 Ų53.86%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-113.6150-174.5-52.60000111.5F2 Y233 L260 E264 W353F2-V262 HydrophobicContact CB-CG2 3.79Å; F2-V262 PolarHBondContact N-O 3.38Å; F2-V262 PolarHBondContact O-N 2.88Å; Y233-V262 HydrophobicContact CD2-CG1 3.93Å; Y233-V262 HydrophobicContact CE1-CG1 4.45Å; Y233-V262 HydrophobicContact CE2-CB 4Å; Y233-V262 HydrophobicContact CE2-CG1 3.49Å; Y233-V262 VanDerWaalsContact CE2-CG1 3.49Å; L260-V262 HydrophobicContact CB-CG1 4.18Å; L260-V262 PolarHBondContact O-N 3.14Å; V262-E264 WeakPolarHBondContact CG2-O 3.33Å; V262-W353 HydrophobicContact CG2-CZ3 3.99Å
263K75.3Confident85.2Confident172 Ų17253.7 Ų53.775%0.74830%0.298SS*.SBendtrans-95.1-20.6176.6-78-171.8175.9-177.70113.8F2F2-K263 WeakPolarHBondContact CE2-O 3.42Å
264E77.7Confident85.5Confident122 Ų12252.5 Ų52.557%0.5728%0.28SS*.SBendtrans-138.3178.5-169.5-66.6-179.9-173.900110.2Y233 V262Y233-E264 PolarHBondContact OH-O 3.47Å; V262-E264 WeakPolarHBondContact CG2-O 3.33Å
265W75.4Confident85.7Confident41 Ų4152.8 Ų52.816%0.15528%0.281CS..  trans-71.4136171.1-158.6-86.9000110.9K267 D294 W353 V363 P364 R366W265-K267 PolarHBondContact O-N 3.15Å; W265-D294 HydrophobicContact CH2-CB 3.92Å; W265-D294 WeakPolarHBondContact CH2-OD1 3.46Å; W265-D294 HydrophobicContact CZ2-CB 4.48Å; W265-D294 HydrophobicContact CZ3-CB 4.48Å; W265-D294 WeakPolarHBondContact CZ3-OD1 3.44Å; W265-W353 HydrophobicContact CD2-CZ2 4.43Å; W265-W353 HydrophobicContact CE3-CZ2 4.27Å; W265-W353 AromaticContact CH2-CE2 3.93Å; W265-W353 AromaticContact CH2-CZ2 3.51Å; W265-W353 HydrophobicContact CH2-CZ2 3.51Å; W265-W353 AromaticContact CH2-NE1 3.89Å; W265-W353 AromaticContact CZ2-CZ2 3.74Å; W265-W353 HydrophobicContact CZ2-CZ2 3.74Å; W265-W353 AromaticContact CZ3-CZ2 3.83Å; W265-W353 HydrophobicContact CZ3-CZ2 3.83Å; W265-V363 HydrophobicContact CH2-CG1 4.24Å; W265-V363 HydrophobicContact CZ3-CG1 3.79Å; W265-P364 HydrophobicContact CE3-CB 4Å; W265-P364 HydrophobicContact CE3-CG 3.87Å; W265-P364 VanDerWaalsContact CE3-O 3.29Å; W265-P364 HydrophobicContact CZ3-CG 4.28Å; W265-P364 WeakPolarHBondContact CZ3-O 3.33Å; W265-R366 HydrophobicContact CD2-CG 4.46Å; W265-R366 HydrophobicContact CE3-CG 4.02Å; W265-R366 HydrophobicContact CZ3-CG 4.49Å; W265-R366 VanDerWaalsContact NE1-NH2 3.13Å
266P77.5Confident86.2Confident0 Ų049.9 Ų49.90%025%0.251CS..  trans-60.7119.8170.922-31.6000110.6Y233 I269 L291 W353Y233-P266 HydrophobicContact CD2-CB 4.07Å; Y233-P266 HydrophobicContact CE2-CB 3.62Å; Y233-P266 HydrophobicContact CE2-CG 4.46Å; P266-I269 HydrophobicContact CB-CD1 4.2Å; P266-I269 HydrophobicContact CB-CG1 3.9Å; P266-I269 HydrophobicContact CG-CD1 4.34Å; P266-L291 HydrophobicContact CB-CD2 3.94Å; P266-L291 HydrophobicContact CG-CD2 4.11Å; P266-L291 VanDerWaalsContact O-CD1 3.3Å; P266-L291 WeakPolarHBondContact O-CD1 3.09Å; P266-W353 HydrophobicContact CG-CH2 4.27Å
267K81.9Confident85.9Confident175 Ų17551.5 Ų51.576%0.76126%0.259SS*.SBendtrans-74-36.5165.9-60.7-175.9-178.7-178.40110.4N234 W265N234-K267 WeakPolarHBondContact OD1-CA 3.42Å; N234-K267 PolarHBondContact OD1-N 3.04Å; W265-K267 PolarHBondContact O-N 3.15Å
268S85.2Confident85.3Confident46 Ų4650.7 Ų50.732%0.32226%0.262SS..  trans-151.8145.1173.757.60000111.7N234N234-S268 PolarHBondContact N-O 2.92Å; N234-S268 PolarHBondContact OD1-N 3.5Å; N234-S268 VanDerWaalsContact OD1-N 3.16Å; N234-S268 PolarHBondContact OD1-O 2.93Å
269I87.2Confident84.5Confident4 Ų459.2 Ų59.22%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-123.3126.9165.5-54.6164.8000105.6L4 I6 L231 F232 P266 V289 L291L4-I269 HydrophobicContact CD1-CD1 4.35Å; L4-I269 HydrophobicContact CD2-CD1 3.72Å; L4-I269 HydrophobicContact CD2-CG1 4.29Å; I6-I269 HydrophobicContact CD1-CG2 3.82Å; L231-I269 HydrophobicContact CD1-CG2 3.74Å; F232-I269 WeakPolarHBondContact O-CA 3.43Å; P266-I269 HydrophobicContact CB-CD1 4.2Å; P266-I269 HydrophobicContact CB-CG1 3.9Å; P266-I269 HydrophobicContact CG-CD1 4.34Å; I269-V289 HydrophobicContact CB-CB 3.91Å; I269-V289 HydrophobicContact CB-CG1 4.23Å; I269-V289 HydrophobicContact CG2-CB 3.7Å; I269-V289 HydrophobicContact CG2-CG1 3.86Å; I269-V289 HydrophobicContact CG2-CG2 4.11Å; I269-V289 WeakPolarHBondContact O-CB 3.47Å; I269-V289 PolarHBondContact O-N 3.37Å; I269-L291 HydrophobicContact CB-CD2 4.23Å; I269-L291 HydrophobicContact CD1-CD2 3.6Å; I269-L291 HydrophobicContact CG1-CD2 3.63Å
270T92.1Very high84.3Confident32 Ų3262.8 Ų62.820%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-138.1146.517759.70000111.6F232 T286 L287F232-T270 PolarHBondContact N-O 2.85Å; F232-T270 PolarHBondContact O-N 2.74Å; T270-T286 HydrophobicContact CG2-CG2 4.24Å; T270-L287 VanDerWaalsContact CA-O 3.31Å; T270-L287 WeakPolarHBondContact CA-O 3.33Å
271L92.6Very high84.5Confident1 Ų166.5 Ų66.51%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-112.1119.2174.4-74.2159.8000108.6L8 L229 K230 L231 L287 V289 L347 L349L8-L271 HydrophobicContact CD1-CD2 4.21Å; L8-L271 HydrophobicContact CD2-CD1 3.61Å; L8-L271 HydrophobicContact CD2-CD2 4.49Å; L229-L271 HydrophobicContact CB-CD2 4.1Å; L229-L271 HydrophobicContact CD2-CB 4.26Å; L229-L271 HydrophobicContact CD2-CD1 4.46Å; L229-L271 HydrophobicContact CD2-CD2 4.5Å; K230-L271 WeakPolarHBondContact O-CA 3.43Å; L231-L271 HydrophobicContact CB-CD2 3.92Å; L231-L271 HydrophobicContact CD1-CD2 3.76Å; L231-L271 HydrophobicContact CD1-CG 4.1Å; L231-L271 HydrophobicContact CG-CD2 4.4Å; L271-L287 HydrophobicContact CB-CB 4.28Å; L271-L287 HydrophobicContact CB-CD1 4.4Å; L271-L287 PolarHBondContact N-O 2.73Å; L271-L287 PolarHBondContact O-N 2.76Å; L271-V289 HydrophobicContact CB-CG2 4.35Å; L271-V289 HydrophobicContact CD1-CG2 3.55Å; L271-V289 HydrophobicContact CG-CG2 3.76Å; L271-L347 HydrophobicContact CD1-CD2 3.82Å; L271-L349 HydrophobicContact CD1-CD2 3.6Å
272K94.1Very high84.7Confident64 Ų6464.8 Ų64.828%0.27832%0.315SS..EExtended strand (participates in β ladder)trans-91116.6170.2-64.7-165.1-176.1-176.80109L229 K230 F232 Y274 Y283 A285 T286L229-K272 CarbonylContact C-O 3.51Å; L229-K272 WeakPolarHBondContact CA-O 3.35Å; K230-K272 PolarHBondContact N-O 2.65Å; K230-K272 PolarHBondContact O-N 2.74Å; F232-K272 HydrophobicContact CD2-CB 4.45Å; F232-K272 HydrophobicContact CD2-CD 4.22Å; F232-K272 HydrophobicContact CD2-CG 3.91Å; F232-K272 HydrophobicContact CE2-CB 3.95Å; F232-K272 HydrophobicContact CE2-CD 3.56Å; F232-K272 HydrophobicContact CE2-CG 3.6Å; F232-K272 HydrophobicContact CZ-CD 3.86Å; F232-K272 HydrophobicContact CZ-CG 4.4Å; K272-Y274 HydrophobicContact CB-CD2 4.28Å; K272-Y274 HydrophobicContact CB-CE2 3.45Å; K272-Y274 VanDerWaalsContact CB-CE2 3.45Å; K272-Y274 VanDerWaalsContact O-CD2 3.31Å; K272-Y274 WeakPolarHBondContact O-CD2 3.45Å; K272-Y283 HydrophobicContact CB-CD2 4.38Å; K272-Y283 HydrophobicContact CB-CE2 4.21Å; K272-Y283 HydrophobicContact CD-CE2 4.22Å; K272-Y283 HydrophobicContact CG-CE2 4.25Å; K272-A285 WeakPolarHBondContact CA-O 3.15Å; K272-T286 HydrophobicContact CG-CG2 4.34Å
273L94.4Very high85.1Confident0 Ų069.3 Ų69.30%033%0.332CS..EExtended strand (participates in β ladder)trans-84.6130.9178.6179.665.1000109.7L11 V227 L229 L284 A285 L287 F310L11-L273 HydrophobicContact CD1-CD2 4.42Å; L11-L273 HydrophobicContact CD2-CD1 3.83Å; L11-L273 HydrophobicContact CD2-CD2 4.37Å; V227-L273 HydrophobicContact CG1-CD1 3.42Å; V227-L273 VanDerWaalsContact CG1-CD1 3.42Å; L229-L273 HydrophobicContact CD1-CD1 4.12Å; L229-L273 HydrophobicContact CD2-CD1 4.12Å; L229-L273 HydrophobicContact CG-CD1 3.77Å; L273-L284 HydrophobicContact CB-CB 4.37Å; L273-L284 HydrophobicContact CD2-CB 4.02Å; L273-L284 HydrophobicContact CD2-CD1 3.94Å; L273-L284 HydrophobicContact CG-CB 4.02Å; L273-L284 HydrophobicContact CG-CD1 4.08Å; L273-L284 HydrophobicContact CG-CG 4.33Å; L273-L284 PolarHBondContact O-N 2.71Å; L273-A285 PolarHBondContact N-O 2.81Å; L273-L287 HydrophobicContact CB-CD1 4.16Å; L273-F310 HydrophobicContact CD2-CD1 4.45Å; L273-F310 HydrophobicContact CD2-CD2 4.02Å; L273-F310 HydrophobicContact CD2-CE1 4.04Å; L273-F310 HydrophobicContact CD2-CE2 3.56Å; L273-F310 HydrophobicContact CD2-CG 4.44Å; L273-F310 HydrophobicContact CD2-CZ 3.57Å
274Y93.4Very high85.8Confident42 Ų4261.4 Ų61.417%0.16530%0.297CS..EExtended strand (participates in β ladder)trans-131.8151.3175.7-61.4-106000111.3V227 M228 K230 K272 W281 N282 Y283V227-Y274 WeakPolarHBondContact CA-O 3.21Å; M228-Y274 PolarHBondContact N-O 2.68Å; M228-Y274 PolarHBondContact O-N 3.17Å; K230-Y274 HydrophobicContact CB-CE2 4.15Å; K230-Y274 HydrophobicContact CD-CD2 4.15Å; K230-Y274 HydrophobicContact CD-CE2 3.56Å; K230-Y274 HydrophobicContact CG-CE2 4.19Å; K272-Y274 HydrophobicContact CB-CD2 4.28Å; K272-Y274 HydrophobicContact CB-CE2 3.45Å; K272-Y274 VanDerWaalsContact CB-CE2 3.45Å; K272-Y274 VanDerWaalsContact O-CD2 3.31Å; K272-Y274 WeakPolarHBondContact O-CD2 3.45Å; Y274-W281 HydrophobicContact CD1-CB 4.41Å; Y274-N282 CarbonylContact C-O 3.13Å; Y274-N282 WeakPolarHBondContact CA-O 3.29Å; Y274-Y283 HydrophobicContact CE1-CD2 4.22Å; Y274-Y283 HydrophobicContact CE1-CG 4.42Å; Y274-Y283 HydrophobicContact CE2-CD2 4.45Å
275E91.6Very high86.5Confident7 Ų756 Ų563%0.03327%0.273CS..EExtended strand (participates in β ladder)trans-130.1142.4176.5177.2164.5-110.200111.2H16 H225 K226 W281 N282 L284H16-E275 IonicContact CD2-OE1 2.65Å; H16-E275 IonicContact NE2-OE1 2.74Å; H16-E275 PolarHBondContact NE2-OE1 3.24Å; H16-E275 VanDerWaalsContact NE2-OE1 3.14Å; H16-E275 IonicContact NE2-OE2 3.77Å; H16-E275 PolarHBondContact NE2-OE2 3.08Å; H225-E275 IonicContact CD2-OE1 2.85Å; H225-E275 IonicContact CD2-OE2 2.78Å; K226-E275 CarbonylContact O-C 3.47Å; K226-E275 WeakPolarHBondContact O-CA 3.35Å; E275-W281 CarbonylContact O-C 3.39Å; E275-N282 PolarHBondContact N-O 3.35Å; E275-N282 PolarHBondContact O-N 3.45Å; E275-L284 HydrophobicContact CB-CD1 3.98Å; E275-L284 HydrophobicContact CB-CD2 4.08Å; E275-L284 HydrophobicContact CB-CG 4.07Å
276S89.4Confident87.3Confident3 Ų357 Ų572%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-132.1145.9175.7-178.70000111.5H225 K226 G278 D280 W281H225-S276 WeakPolarHBondContact CA-O 3.3Å; K226-S276 PolarHBondContact N-O 3.04Å; K226-S276 PolarHBondContact O-N 3.44Å; S276-G278 PolarHBondContact OG-N 2.94Å; S276-G278 VanDerWaalsContact OG-N 3.15Å; S276-G278 PolarHBondContact OG-O 3.49Å; S276-D280 WeakPolarHBondContact CB-O 3.18Å; S276-D280 PolarHBondContact OG-O 3.06Å; S276-W281 VanDerWaalsContact CB-CD2 3.44Å; S276-W281 VanDerWaalsContact CB-CE3 3.49Å
277T79.4Confident87.9Confident57 Ų5757.2 Ų57.235%0.3529%0.286SS..SBendtrans-1145.4172.365.10000112.5H225H225-T277 WeakPolarHBondContact CE1-CG2 3.4Å
278G75.4Confident88.1Confident53 Ų5351.4 Ų51.455%0.54628%0.275SS..SBendtrans-176.7-118.5-166.200000112.5S276S276-G278 PolarHBondContact OG-N 2.94Å; S276-G278 VanDerWaalsContact OG-N 3.15Å; S276-G278 PolarHBondContact OG-O 3.49Å
279Y71.8Confident88.1Confident226 Ų22649.6 Ų49.689%0.88626%0.262SS*.SBendtrans-93.2-40.6179.6-64.9-79.8000112.8
280D82.4Confident87.8Confident133 Ų13352.2 Ų52.271%0.71128%0.279SS*.  trans-83.9156.2-177.8-58.1-61.8000113.3S276S276-D280 WeakPolarHBondContact CB-O 3.18Å; S276-D280 PolarHBondContact OG-O 3.06Å
281W90.1Very high87.2Confident90 Ų9054.1 Ų54.134%0.34129%0.288SS..  trans-122.8109.5-179-75.188.4000111.6K226 M228 Y274 E275 S276K226-W281 HydrophobicContact CB-CH2 4Å; K226-W281 VanDerWaalsContact O-CZ3 3.27Å; K226-W281 WeakPolarHBondContact O-CZ3 3.24Å; M228-W281 HydrophobicContact CB-CE3 4.48Å; M228-W281 HydrophobicContact CB-CH2 4.03Å; M228-W281 HydrophobicContact CB-CZ3 3.86Å; M228-W281 HydrophobicContact CG-CD2 4.2Å; M228-W281 HydrophobicContact CG-CE3 3.58Å; M228-W281 HydrophobicContact CG-CH2 3.97Å; M228-W281 HydrophobicContact CG-CZ3 3.45Å; M228-W281 VanDerWaalsContact CG-CZ3 3.45Å; M228-W281 HydrophobicContact SD-CD2 3.34Å; M228-W281 VanDerWaalsContact SD-CE2 3.56Å; M228-W281 HydrophobicContact SD-CE3 3.38Å; M228-W281 HydrophobicContact SD-CG 4.01Å; M228-W281 HydrophobicContact SD-CH2 3.83Å; M228-W281 HydrophobicContact SD-CZ2 3.8Å; M228-W281 HydrophobicContact SD-CZ3 3.64Å; Y274-W281 HydrophobicContact CD1-CB 4.41Å; E275-W281 CarbonylContact O-C 3.39Å; S276-W281 VanDerWaalsContact CB-CD2 3.44Å; S276-W281 VanDerWaalsContact CB-CE3 3.49Å
282N89.4Confident86.1Confident83 Ų8354.8 Ų54.844%0.44429%0.292SS..EExtended strand (participates in β ladder)trans-79.1128.1177.1-66-39.4000110.5Y274 E275 L284 L314Y274-N282 CarbonylContact C-O 3.13Å; Y274-N282 WeakPolarHBondContact CA-O 3.29Å; E275-N282 PolarHBondContact N-O 3.35Å; E275-N282 PolarHBondContact O-N 3.45Å; N282-L284 PolarHBondContact O-N 3.01Å; N282-L314 HydrophobicContact CB-CD1 3.96Å
283Y91.2Very high84.6Confident105 Ų10555.6 Ų55.641%0.41231%0.306SS..EExtended strand (participates in β ladder)trans-76.3118.1174162.4-98.6000110.5K272 Y274 A285 T286 L314K272-Y283 HydrophobicContact CB-CD2 4.38Å; K272-Y283 HydrophobicContact CB-CE2 4.21Å; K272-Y283 HydrophobicContact CD-CE2 4.22Å; K272-Y283 HydrophobicContact CG-CE2 4.25Å; Y274-Y283 HydrophobicContact CE1-CD2 4.22Å; Y274-Y283 HydrophobicContact CE1-CG 4.42Å; Y274-Y283 HydrophobicContact CE2-CD2 4.45Å; Y283-A285 WeakPolarHBondContact CE2-O 3.28Å; Y283-T286 WeakPolarHBondContact CE2-OG1 3.31Å; Y283-T286 WeakPolarHBondContact OH-CB 3.31Å; Y283-T286 PolarHBondContact OH-N 3.25Å; Y283-T286 PolarHBondContact OH-OG1 2.85Å; Y283-L314 WeakPolarHBondContact O-CD1 3.43Å
284L89.7Confident82.8Confident5 Ų559.3 Ų59.33%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-86.2-57.1178.3-57.2-166.7000111.9F13 L273 E275 N282 S312 L314 I343F13-L284 HydrophobicContact CE1-CD1 3.9Å; F13-L284 HydrophobicContact CZ-CD1 3.93Å; L273-L284 HydrophobicContact CB-CB 4.37Å; L273-L284 HydrophobicContact CD2-CB 4.02Å; L273-L284 HydrophobicContact CD2-CD1 3.94Å; L273-L284 HydrophobicContact CG-CB 4.02Å; L273-L284 HydrophobicContact CG-CD1 4.08Å; L273-L284 HydrophobicContact CG-CG 4.33Å; L273-L284 PolarHBondContact O-N 2.71Å; E275-L284 HydrophobicContact CB-CD1 3.98Å; E275-L284 HydrophobicContact CB-CD2 4.08Å; E275-L284 HydrophobicContact CB-CG 4.07Å; N282-L284 PolarHBondContact O-N 3.01Å; L284-S312 WeakPolarHBondContact O-CB 3.26Å; L284-S312 PolarHBondContact O-OG 2.86Å; L284-L314 HydrophobicContact CD2-CD1 3.62Å; L284-I343 HydrophobicContact CD1-CG2 4.42Å
285A92.3Very high80.8Confident8 Ų861.3 Ų61.37%0.06633%0.333CS..EExtended strand (participates in β ladder)trans-159.6159.9-170.900000113.1K272 L273 Y283 F310K272-A285 WeakPolarHBondContact CA-O 3.15Å; L273-A285 PolarHBondContact N-O 2.81Å; Y283-A285 WeakPolarHBondContact CE2-O 3.28Å; A285-F310 HydrophobicContact CB-CB 3.97Å; A285-F310 HydrophobicContact CB-CD2 4.04Å; A285-F310 HydrophobicContact CB-CG 4.3Å
286T92.7Very high78.5Confident63 Ų6363.5 Ų63.539%0.38735%0.352SS..EExtended strand (participates in β ladder)trans-110114.9167.7-630000109.1T270 K272 Y283T270-T286 HydrophobicContact CG2-CG2 4.24Å; K272-T286 HydrophobicContact CG-CG2 4.34Å; Y283-T286 WeakPolarHBondContact CE2-OG1 3.31Å; Y283-T286 WeakPolarHBondContact OH-CB 3.31Å; Y283-T286 PolarHBondContact OH-N 3.25Å; Y283-T286 PolarHBondContact OH-OG1 2.85Å
287L90.1Very high76.3Confident5 Ų565 Ų653%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-93123179.2-64134.6000109.5L229 T270 L271 L273 V289 I308 F310 L347L229-L287 HydrophobicContact CD2-CD1 4.35Å; T270-L287 VanDerWaalsContact CA-O 3.31Å; T270-L287 WeakPolarHBondContact CA-O 3.33Å; L271-L287 HydrophobicContact CB-CB 4.28Å; L271-L287 HydrophobicContact CB-CD1 4.4Å; L271-L287 PolarHBondContact N-O 2.73Å; L271-L287 PolarHBondContact O-N 2.76Å; L273-L287 HydrophobicContact CB-CD1 4.16Å; L287-V289 PolarHBondContact O-N 3.46Å; L287-I308 HydrophobicContact CB-CG2 4.38Å; L287-I308 HydrophobicContact CD2-CB 4.03Å; L287-I308 HydrophobicContact CD2-CG2 3.6Å; L287-F310 HydrophobicContact CD2-CB 3.9Å; L287-F310 HydrophobicContact CD2-CD1 4.08Å; L287-F310 HydrophobicContact CD2-CG 4.34Å; L287-L347 HydrophobicContact CD1-CD2 3.88Å; L287-L347 HydrophobicContact CD2-CB 4.3Å
288G85.3Confident74.5Confident52 Ų5265.5 Ų65.554%0.53636%0.361SS..EExtended strand (participates in β ladder)trans-77111.3173.400000110.8
289V85.2Confident72.9Confident8 Ų866 Ų665%0.04835%0.351CS..PPolyproline II helixtrans-84.7126.1-177.4176.60000109.2I269 L271 L287 L291 L349 V351I269-V289 HydrophobicContact CB-CB 3.91Å; I269-V289 HydrophobicContact CB-CG1 4.23Å; I269-V289 HydrophobicContact CG2-CB 3.7Å; I269-V289 HydrophobicContact CG2-CG1 3.86Å; I269-V289 HydrophobicContact CG2-CG2 4.11Å; I269-V289 WeakPolarHBondContact O-CB 3.47Å; I269-V289 PolarHBondContact O-N 3.37Å; L271-V289 HydrophobicContact CB-CG2 4.35Å; L271-V289 HydrophobicContact CD1-CG2 3.55Å; L271-V289 HydrophobicContact CG-CG2 3.76Å; L287-V289 PolarHBondContact O-N 3.46Å; V289-L291 PolarHBondContact O-N 3.49Å; V289-L349 HydrophobicContact CG1-CD1 4.1Å; V289-L349 HydrophobicContact CG1-CD2 4.43Å; V289-L349 HydrophobicContact CG2-CD2 4.07Å; V289-V351 HydrophobicContact CG1-CG2 3.52Å
290P81.8Confident71.4Confident59 Ų5958.5 Ų58.538%0.38333%0.331SS..PPolyproline II helixtrans-62.1133.3178.725-33000110.7
291L78.3Confident69.4Low73 Ų7360.3 Ų60.338%0.38234%0.335SS..PPolyproline II helixtrans-71.2135.7178.6-56.8-176.6000109.9P266 I269 V289P266-L291 HydrophobicContact CB-CD2 3.94Å; P266-L291 HydrophobicContact CG-CD2 4.11Å; P266-L291 VanDerWaalsContact O-CD1 3.3Å; P266-L291 WeakPolarHBondContact O-CD1 3.09Å; I269-L291 HydrophobicContact CB-CD2 4.23Å; I269-L291 HydrophobicContact CD1-CD2 3.6Å; I269-L291 HydrophobicContact CG1-CD2 3.63Å; V289-L291 PolarHBondContact O-N 3.49Å
292P69.8Low66.9Low15 Ų1560.3 Ų60.310%0.09735%0.354CS..PPolyproline II helixtrans-65.1149.917729.7-35.3000110.4L4 V351 W353L4-P292 HydrophobicContact CD1-CG 3.68Å; P292-V351 HydrophobicContact CB-CG1 4.16Å; P292-V351 HydrophobicContact CG-CG1 3.94Å; P292-W353 HydrophobicContact CG-CD2 4.48Å; P292-W353 HydrophobicContact CG-CZ2 3.97Å
293S63.1Low65.1Low81 Ų8160.4 Ų60.457%0.56636%0.355SS*.PPolyproline II helixtrans-68.9161.3-178.280.90000113R295 W353S293-R295 PolarHBondContact O-N 2.81Å; S293-R295 VanDerWaalsContact O-N 3.11Å; S293-W353 PolarHBondContact O-NE1 3Å
294D56.6Low63.6Low78 Ų7863.6 Ų63.642%0.41737%0.373SS..SBendtrans-79.824179.9-157.113.9000113.1W265 R366W265-D294 HydrophobicContact CH2-CB 3.92Å; W265-D294 WeakPolarHBondContact CH2-OD1 3.46Å; W265-D294 HydrophobicContact CZ2-CB 4.48Å; W265-D294 HydrophobicContact CZ3-CB 4.48Å; W265-D294 WeakPolarHBondContact CZ3-OD1 3.44Å; D294-R366 VanDerWaalsContact OD2-CD 3.29Å; D294-R366 WeakPolarHBondContact OD2-CD 3.26Å; D294-R366 IonicContact OD2-NE 3.68Å
295R51.5Low62.6Low84 Ų8465.9 Ų65.932%0.31739%0.387SS..  trans-107109.8-179.7-73.7-164.8176.8135.19.7111.8S293 D297 T602S293-R295 PolarHBondContact O-N 2.81Å; S293-R295 VanDerWaalsContact O-N 3.11Å; R295-D297 PolarHBondContact O-N 3.15Å; R295-T602 VanDerWaalsContact CZ-CB 3.48Å; R295-T602 PolarHBondContact NH1-O 3.47Å
296A43.4Very low62Low53 Ų5367.3 Ų67.344%0.43840%0.397SS..  trans-68.949.3161.800000111.9N298 P361 V363A296-N298 VanDerWaalsContact C-N 3.33Å; A296-N298 PolarHBondContact O-N 3.44Å; A296-N298 PolarHBondContact O-OD1 3.45Å; A296-P361 HydrophobicContact CB-CG 3.45Å; A296-P361 VanDerWaalsContact CB-CG 3.45Å; A296-V363 HydrophobicContact CB-CG2 4.47Å
297D43.4Very low61.6Low33 Ų3368.3 Ų68.318%0.17640%0.397CS..  trans-77.487.9173.5-77.415.7000107.3R295 N299 C300 Q601 T602R295-D297 PolarHBondContact O-N 3.15Å; D297-N299 PolarHBondContact O-N 3.37Å; D297-C300 PolarHBondContact O-N 3.5Å; D297-Q601 HydrophobicContact CB-CG 4.21Å; D297-Q601 WeakPolarHBondContact OD2-CG 3.12Å; D297-T602 PolarHBondContact OD2-N 3.1Å
298N41.8Very low61.4Low69 Ų6969.4 Ų69.437%0.36940%0.403SS..THydrogen-bonded Turntrans-51.2-5.6-167.4-75.911.8000117.4A296 K355 N360 P361A296-N298 VanDerWaalsContact C-N 3.33Å; A296-N298 PolarHBondContact O-N 3.44Å; A296-N298 PolarHBondContact O-OD1 3.45Å; N298-K355 WeakPolarHBondContact O-CE 3.44Å; N298-K355 PolarHBondContact O-NZ 2.98Å; N298-N360 PolarHBondContact ND2-OD1 2.96Å; N298-P361 WeakPolarHBondContact OD1-CD 3.39Å; N298-P361 WeakPolarHBondContact OD1-CG 3.48Å
299N41.7Very low61.6Low64 Ų6474.4 Ų74.434%0.34241%0.412SS..THydrogen-bonded Turntrans-134.7-3.2-152.3-156.4-0.5000111.9D297 E301 T590 F591D297-N299 PolarHBondContact O-N 3.37Å; N299-E301 PolarHBondContact O-N 2.78Å; N299-E301 VanDerWaalsContact O-N 3.12Å; N299-T590 HydrophobicContact CB-CG2 3.71Å; N299-T590 WeakPolarHBondContact CB-OG1 3.14Å; N299-T590 VanDerWaalsContact CG-OG1 3.24Å; N299-T590 WeakPolarHBondContact ND2-CB 3.49Å; N299-T590 PolarHBondContact ND2-OG1 3.1Å; N299-T590 WeakPolarHBondContact O-CG2 3.45Å; N299-F591 PolarHBondContact ND2-O 3.11Å
300C39.2Very low61.9Low68 Ų6874.9 Ų74.946%0.45941%0.414SS..  trans-76.990.4177.6-70.80000112.3D297 Q601D297-C300 PolarHBondContact O-N 3.5Å; C300-Q601 PolarHBondContact SG-NE2 2.68Å; C300-Q601 VanDerWaalsContact SG-NE2 3.39Å
301E40.1Very low62.1Low170 Ų17075.6 Ų75.679%0.79442%0.42SS*.  trans-86.5-3.1174.8-62.7-17114200114.2N299 D303N299-E301 PolarHBondContact O-N 2.78Å; N299-E301 VanDerWaalsContact O-N 3.12Å; E301-D303 PolarHBondContact O-N 2.98Å; E301-D303 VanDerWaalsContact O-N 3.16Å
302A39.5Very low62.5Low90 Ų9072.5 Ų72.574%0.74440%0.404SS*.SBendtrans-77.397.8172.700000110.5E304A302-E304 PolarHBondContact O-N 2.74Å; A302-E304 VanDerWaalsContact O-N 3.14Å
303D51.3Low63Low86 Ų8679.9 Ų79.946%0.4644%0.437SS..  trans-53.7114.6170.4-87.2-57.1000110.8E301 V305 S350E301-D303 PolarHBondContact O-N 2.98Å; E301-D303 VanDerWaalsContact O-N 3.16Å; D303-V305 HydrophobicContact CB-CG2 4.16Å; D303-V305 PolarHBondContact O-N 2.88Å; D303-S350 WeakPolarHBondContact OD1-CB 3.46Å; D303-S350 PolarHBondContact OD1-OG 3.37Å
304E59.4Low63.8Low171 Ų17179 Ų7980%0.79943%0.426SS*.  trans-70.283167.1-82.5-164.4134.600109.5A302 S306A302-E304 PolarHBondContact O-N 2.74Å; A302-E304 VanDerWaalsContact O-N 3.14Å; E304-S306 PolarHBondContact O-N 3.47Å
305V69Low64.8Low54 Ų5483.2 Ų83.233%0.32744%0.436SS..  trans-68.495.4177.4-177.10000109.8D303 R348 L349D303-V305 HydrophobicContact CB-CG2 4.16Å; D303-V305 PolarHBondContact O-N 2.88Å; V305-R348 HydrophobicContact CG1-CB 3.85Å; V305-R348 HydrophobicContact CG1-CG 4.02Å; V305-L349 CarbonylContact C-O 3.58Å; V305-L349 WeakPolarHBondContact CA-O 2.91Å
306S78.4Confident65.8Low38 Ų3880.2 Ų80.227%0.26643%0.43SS..EExtended strand (participates in β ladder)trans-71.9132.1172.6-62.60000110.1E304 R348 L349E304-S306 PolarHBondContact O-N 3.47Å; S306-R348 WeakPolarHBondContact O-CA 3.42Å; S306-L349 PolarHBondContact N-O 3.28Å; S306-L349 PolarHBondContact O-N 3.31Å; S306-L349 VanDerWaalsContact O-N 3.11Å
307E84.9Confident66.8Low83 Ų8383.6 Ų83.639%0.38844%0.439SS..EExtended strand (participates in β ladder)trans-99.7110167.8-82.9174.5150.600108.2V346 R348 R401E307-V346 HydrophobicContact CB-CG1 3.67Å; E307-V346 HydrophobicContact CG-CG1 3.9Å; E307-R348 HydrophobicContact CG-CG 3.68Å; E307-R348 IonicContact OE1-CZ 3.95Å; E307-R348 IonicContact OE1-NE 2.98Å; E307-R348 PolarHBondContact OE1-NE 3.43Å; E307-R348 IonicContact OE1-NH2 2.83Å; E307-R348 PolarHBondContact OE1-NH2 3.2Å; E307-R401 IonicContact OE1-NH2 2.64Å; E307-R401 PolarHBondContact OE1-NH2 2.99Å; E307-R401 IonicContact OE2-CZ 3.58Å; E307-R401 VanDerWaalsContact OE2-CZ 3.29Å; E307-R401 IonicContact OE2-NE 3.81Å; E307-R401 PolarHBondContact OE2-NE 2.78Å; E307-R401 IonicContact OE2-NH2 2.72Å; E307-R401 PolarHBondContact OE2-NH2 3.47Å
308I85.7Confident67.9Low28 Ų2884.6 Ų84.614%0.14444%0.44CS..EExtended strand (participates in β ladder)trans-106113.8179.9-48.9177.3000108.2L287 V346 L347 L349L287-I308 HydrophobicContact CB-CG2 4.38Å; L287-I308 HydrophobicContact CD2-CB 4.03Å; L287-I308 HydrophobicContact CD2-CG2 3.6Å; I308-V346 WeakPolarHBondContact O-CA 3.15Å; I308-L347 PolarHBondContact N-O 2.83Å; I308-L347 PolarHBondContact O-N 2.85Å; I308-L349 HydrophobicContact CD1-CD1 4.4Å; I308-L349 HydrophobicContact CD1-CD2 3.72Å; I308-L349 HydrophobicContact CD1-CG 4.12Å
309E89.8Confident68.8Low157 Ų15787 Ų8773%0.73447%0.47SS*.EExtended strand (participates in β ladder)trans-77.2150.9175.8-51.7-161.7140.100111.3G345 V346E309-G345 CarbonylContact C-O 2.75Å; E309-G345 VanDerWaalsContact CA-O 3.29Å; E309-G345 WeakPolarHBondContact CA-O 3.32Å; E309-V346 HydrophobicContact CG-CG2 4.17Å
310F90.3Very high70.2Confident19 Ų1985.4 Ų85.48%0.08346%0.462CS..EExtended strand (participates in β ladder)trans-142.7156.6172.368.5-84000111.7L11 F13 L273 A285 L287 S344 G345L11-F310 HydrophobicContact CD1-CE1 3.58Å; L11-F310 HydrophobicContact CD1-CZ 4.1Å; F13-F310 HydrophobicContact CD1-CE2 4.26Å; F13-F310 AromaticContact CD1-CZ 3.92Å; F13-F310 HydrophobicContact CD1-CZ 3.92Å; F13-F310 AromaticContact CE1-CE2 3.94Å; F13-F310 HydrophobicContact CE1-CE2 3.94Å; F13-F310 AromaticContact CE1-CZ 3.75Å; F13-F310 HydrophobicContact CE1-CZ 3.75Å; F13-F310 HydrophobicContact CZ-CZ 4.41Å; L273-F310 HydrophobicContact CD2-CD1 4.45Å; L273-F310 HydrophobicContact CD2-CD2 4.02Å; L273-F310 HydrophobicContact CD2-CE1 4.04Å; L273-F310 HydrophobicContact CD2-CE2 3.56Å; L273-F310 HydrophobicContact CD2-CG 4.44Å; L273-F310 HydrophobicContact CD2-CZ 3.57Å; A285-F310 HydrophobicContact CB-CB 3.97Å; A285-F310 HydrophobicContact CB-CD2 4.04Å; A285-F310 HydrophobicContact CB-CG 4.3Å; L287-F310 HydrophobicContact CD2-CB 3.9Å; L287-F310 HydrophobicContact CD2-CD1 4.08Å; L287-F310 HydrophobicContact CD2-CG 4.34Å; F310-S344 CarbonylContact O-C 3.58Å; F310-S344 WeakPolarHBondContact O-CA 3.2Å; F310-S344 WeakPolarHBondContact O-CB 3.31Å; F310-G345 VanDerWaalsContact CD1-C 3.42Å; F310-G345 VanDerWaalsContact CD1-O 3.24Å; F310-G345 WeakPolarHBondContact CD1-O 3.36Å; F310-G345 PolarHBondContact N-O 2.98Å; F310-G345 PolarHBondContact O-N 2.83Å
311S87.9Confident71.8Confident73 Ų7383.4 Ų83.451%0.5145%0.449SS..EExtended strand (participates in β ladder)trans-135.2156.1167.4-1690000108.7H342 I343S311-H342 WeakPolarHBondContact OG-CB 3.37Å; S311-I343 CarbonylContact C-O 3.59Å; S311-I343 WeakPolarHBondContact CA-O 3.24Å
312S85.6Confident73.6Confident8 Ų876 Ų766%0.05642%0.418CS..EExtended strand (participates in β ladder)trans-136.4136.3179.5-1710000110.6L284 L314 H342 I343L284-S312 WeakPolarHBondContact O-CB 3.26Å; L284-S312 PolarHBondContact O-OG 2.86Å; S312-L314 PolarHBondContact O-N 2.94Å; S312-L314 PolarHBondContact OG-N 3.37Å; S312-H342 WeakPolarHBondContact O-CB 3.01Å; S312-H342 PolarHBondContact O-ND1 3.21Å; S312-I343 PolarHBondContact N-O 3.4Å; S312-I343 PolarHBondContact O-N 3.38Å
313E80.2Confident75.7Confident170 Ų17073.2 Ų73.279%0.79439%0.391SS*.  trans-80.1-4176.7-64.7176.8-172.800113R315E313-R315 PolarHBondContact O-N 2.88Å; E313-R315 VanDerWaalsContact O-N 3.15Å
314L79.8Confident77.3Confident62 Ų6269.2 Ų69.233%0.32537%0.37SS..  trans-57.6119.4176.7-87.7177.4000111.5N282 Y283 L284 S312 I343N282-L314 HydrophobicContact CB-CD1 3.96Å; Y283-L314 WeakPolarHBondContact O-CD1 3.43Å; L284-L314 HydrophobicContact CD2-CD1 3.62Å; S312-L314 PolarHBondContact O-N 2.94Å; S312-L314 PolarHBondContact OG-N 3.37Å; L314-I343 HydrophobicContact CB-CD1 4.43Å
315R77.5Confident78.4Confident167 Ų16761 Ų6163%0.6333%0.332SS*.  trans-82.1135.2170.5-48.4-155.8-178.3-1681109.6E313 A325 G326 E327E313-R315 PolarHBondContact O-N 2.88Å; E313-R315 VanDerWaalsContact O-N 3.15Å; R315-A325 VanDerWaalsContact CA-O 3.28Å; R315-A325 WeakPolarHBondContact CA-O 3.32Å; R315-G326 WeakPolarHBondContact CD-O 3.38Å; R315-G326 PolarHBondContact NE-O 2.87Å; R315-G326 PolarHBondContact NH1-O 3.19Å; R315-E327 WeakPolarHBondContact CD-OE1 3.03Å; R315-E327 IonicContact CZ-OE1 2.79Å; R315-E327 IonicContact NE-OE1 3.62Å; R315-E327 IonicContact NH1-OE1 2.97Å; R315-E327 PolarHBondContact NH1-OE1 2.84Å
316A73.6Confident78.9Confident22 Ų2258.7 Ų58.718%0.18232%0.319CS..BIsolated β-bridgetrans-148.6127.1175.500000109.9Y318 G324 A325A316-Y318 HydrophobicContact CB-CE2 4.47Å; A316-G324 CarbonylContact O-C 3.58Å; A316-G324 WeakPolarHBondContact O-CA 3.44Å; A316-A325 PolarHBondContact N-O 2.91Å; A316-A325 PolarHBondContact O-N 2.7Å
317I64.2Low78.7Confident123 Ų12360.4 Ų60.463%0.63132%0.323SS*.  trans-125138.5-179.4-47.4170.9000106.9E327I317-E327 HydrophobicContact CD1-CG 3.74Å; I317-E327 HydrophobicContact CG1-CG 3.96Å
318Y67Low78.6Confident54 Ų5460.4 Ų60.421%0.21233%0.325CS..  trans-125.4143.2177.2-69-70.5000111L18 H225 A316 N320L18-Y318 HydrophobicContact CD1-CE2 4.47Å; L18-Y318 HydrophobicContact CD2-CD1 4.45Å; L18-Y318 HydrophobicContact CD2-CD2 3.29Å; L18-Y318 HydrophobicContact CD2-CE2 3.83Å; L18-Y318 HydrophobicContact CD2-CG 3.65Å; L18-Y318 HydrophobicContact CG-CD2 3.68Å; L18-Y318 HydrophobicContact CG-CE2 3.72Å; L18-Y318 HydrophobicContact CG-CG 4.46Å; H225-Y318 AromaticContact CE1-CZ 3.73Å; H225-Y318 PolarHBondContact CE1-OH 2.84Å; H225-Y318 AromaticContact NE2-CE2 3.82Å; H225-Y318 AromaticContact NE2-CZ 3.51Å; H225-Y318 PolarHBondContact NE2-OH 2.88Å; A316-Y318 HydrophobicContact CB-CE2 4.47Å; Y318-N320 PolarHBondContact O-N 2.88Å
319A59.2Low78.3Confident121 Ų12159.4 Ų59.4100%132%0.32SS*.SBendtrans-76.340.8175.200000112.8
320N71Confident77.9Confident30 Ų3059.5 Ų59.516%0.1631%0.314CS..SBendtrans-137.5-173179.266.837.1000109.9L18 R218 Y318 G322L18-N320 VanDerWaalsContact CD2-ND2 3.33Å; L18-N320 WeakPolarHBondContact CD2-ND2 3.46Å; R218-N320 HydrophobicContact CB-CB 4.21Å; Y318-N320 PolarHBondContact O-N 2.88Å; N320-G322 PolarHBondContact O-N 2.86Å; N320-G322 PolarHBondContact OD1-N 2.83Å
321S72.9Confident77.5Confident26 Ų2658.6 Ų58.618%0.18231%0.31CS..SBendtrans-71.511.5-176.150.90000115.8S20 E215 R218S20-S321 WeakPolarHBondContact CA-O 3.43Å; E215-S321 PolarHBondContact OE2-OG 2.9Å; R218-S321 WeakPolarHBondContact CD-OG 3.46Å
322G78.9Confident77.2Confident15 Ų1560.2 Ų60.216%0.15531%0.309CS..BIsolated β-bridgetrans-79.4143.8171.700000112.7F19 N320 G324F19-G322 CarbonylContact O-C 3.54Å; F19-G322 VanDerWaalsContact O-CA 3.3Å; F19-G322 WeakPolarHBondContact O-CA 3.21Å; N320-G322 PolarHBondContact O-N 2.86Å; N320-G322 PolarHBondContact OD1-N 2.83Å; G322-G324 VanDerWaalsContact C-N 3.32Å
323V83.5Confident77Confident30 Ų3064.6 Ų64.618%0.18233%0.329CS..  trans-82-8.8-178.2-52.90000113.8F19 K21 V24 V329F19-V323 WeakPolarHBondContact O-CG2 3.35Å; F19-V323 PolarHBondContact O-N 2.76Å; K21-V323 HydrophobicContact CG-CG1 4.04Å; V24-V323 HydrophobicContact CG2-CG2 3.91Å; V323-V329 HydrophobicContact CB-CG1 3.97Å; V323-V329 HydrophobicContact CB-CG2 3.8Å; V323-V329 HydrophobicContact CG1-CG1 4.27Å; V323-V329 HydrophobicContact CG2-CG1 4.16Å; V323-V329 HydrophobicContact CG2-CG2 3.77Å; V323-V329 WeakPolarHBondContact O-CG2 3.41Å
324G83.9Confident76.9Confident2 Ų257 Ų572%0.02129%0.294CS..  trans79.4-173.6-176.200000114.1H15 S17 A316 G322H15-G324 PolarHBondContact NE2-O 3.01Å; S17-G324 WeakPolarHBondContact O-CA 3.4Å; S17-G324 PolarHBondContact O-N 2.56Å; A316-G324 CarbonylContact O-C 3.58Å; A316-G324 WeakPolarHBondContact O-CA 3.44Å; G322-G324 VanDerWaalsContact C-N 3.32Å
325A82.7Confident76.7Confident0 Ų057.4 Ų57.40%031%0.312CS..BIsolated β-bridgetrans-145.3149.3170.100000109.5R315 A316 E327 P341 I343R315-A325 VanDerWaalsContact CA-O 3.28Å; R315-A325 WeakPolarHBondContact CA-O 3.32Å; A316-A325 PolarHBondContact N-O 2.91Å; A316-A325 PolarHBondContact O-N 2.7Å; A325-E327 VanDerWaalsContact C-N 3.26Å; A325-E327 PolarHBondContact O-N 3.3Å; A325-P341 CarbonylContact C-O 3.58Å; A325-P341 VanDerWaalsContact CA-O 3.3Å; A325-P341 WeakPolarHBondContact CA-O 3.31Å; A325-I343 HydrophobicContact CB-CD1 4.25Å; A325-I343 HydrophobicContact CB-CG1 3.41Å; A325-I343 VanDerWaalsContact CB-CG1 3.41Å
326G79.9Confident76.7Confident4 Ų451 Ų514%0.04129%0.29CS..SBendtrans78.70.8-175.400000115.3R315 P341R315-G326 WeakPolarHBondContact CD-O 3.38Å; R315-G326 PolarHBondContact NE-O 2.87Å; R315-G326 PolarHBondContact NH1-O 3.19Å; G326-P341 PolarHBondContact N-O 3.41Å
327E74.6Confident77Confident74 Ų7454.9 Ų54.935%0.34631%0.314SS..SBendtrans-122.9163.5179.1-69.6-54.1139.500112.4R315 I317 A325 V329 P341R315-E327 WeakPolarHBondContact CD-OE1 3.03Å; R315-E327 IonicContact CZ-OE1 2.79Å; R315-E327 IonicContact NE-OE1 3.62Å; R315-E327 IonicContact NH1-OE1 2.97Å; R315-E327 PolarHBondContact NH1-OE1 2.84Å; I317-E327 HydrophobicContact CD1-CG 3.74Å; I317-E327 HydrophobicContact CG1-CG 3.96Å; A325-E327 VanDerWaalsContact C-N 3.26Å; A325-E327 PolarHBondContact O-N 3.3Å; E327-V329 PolarHBondContact O-N 3.12Å; E327-V329 VanDerWaalsContact O-N 3.11Å; E327-P341 WeakPolarHBondContact O-CD 3.49Å
328L82.4Confident77.7Confident83 Ų8350.7 Ų50.744%0.43530%0.297SS..  trans-75.198.9-173.9-173.668.9000112.6R330 A338 I340L328-R330 HydrophobicContact CG-CG 4.44Å; L328-R330 PolarHBondContact O-N 2.84Å; L328-A338 HydrophobicContact CD1-CB 3.76Å; L328-A338 HydrophobicContact CD2-CB 4.31Å; L328-A338 HydrophobicContact CG-CB 4Å; L328-I340 HydrophobicContact CB-CG1 4.36Å; L328-I340 HydrophobicContact CD1-CG1 4.03Å
329V80.3Confident78.5Confident8 Ų851.5 Ų51.55%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-78.3108.7175.8175.30000110.1V323 E327 L331 A338 F339 P341V323-V329 HydrophobicContact CB-CG1 3.97Å; V323-V329 HydrophobicContact CB-CG2 3.8Å; V323-V329 HydrophobicContact CG1-CG1 4.27Å; V323-V329 HydrophobicContact CG2-CG1 4.16Å; V323-V329 HydrophobicContact CG2-CG2 3.77Å; V323-V329 WeakPolarHBondContact O-CG2 3.41Å; E327-V329 PolarHBondContact O-N 3.12Å; E327-V329 VanDerWaalsContact O-N 3.11Å; V329-L331 HydrophobicContact CG1-CD1 4.07Å; V329-L331 HydrophobicContact CG1-CG 3.95Å; V329-A338 WeakPolarHBondContact O-CA 3.16Å; V329-F339 HydrophobicContact CB-CE1 4.4Å; V329-F339 HydrophobicContact CG1-CE1 4.14Å; V329-F339 HydrophobicContact CG1-CZ 4.35Å; V329-F339 PolarHBondContact N-O 2.89Å; V329-F339 PolarHBondContact O-N 3Å; V329-P341 HydrophobicContact CB-CG 4.32Å; V329-P341 HydrophobicContact CG2-CG 3.6Å
330R81.6Confident79.7Confident158 Ų15850.2 Ų50.260%0.59628%0.277SS*.EExtended strand (participates in β ladder)trans-90.3110175.4-58.5-166.8-165.6-161.14.1110.8L328 E332 A338L328-R330 HydrophobicContact CG-CG 4.44Å; L328-R330 PolarHBondContact O-N 2.84Å; R330-E332 WeakPolarHBondContact CD-OE2 3.23Å; R330-A338 HydrophobicContact CG-CB 3.97Å
331L80.7Confident80.3Confident1 Ų149.2 Ų49.21%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-120.629.1171.9-68.4175.8000111.2K21 V24 V329 E333 F334 I336 F339K21-L331 HydrophobicContact CB-CD2 3.99Å; K21-L331 HydrophobicContact CD-CD2 3.82Å; K21-L331 HydrophobicContact CG-CD2 3.77Å; V24-L331 HydrophobicContact CB-CD1 4.09Å; V24-L331 HydrophobicContact CG1-CD1 3.52Å; V329-L331 HydrophobicContact CG1-CD1 4.07Å; V329-L331 HydrophobicContact CG1-CG 3.95Å; L331-E333 PolarHBondContact O-N 3.38Å; L331-F334 HydrophobicContact CB-CD2 4.16Å; L331-F334 HydrophobicContact CD2-CD2 3.81Å; L331-F334 HydrophobicContact CD2-CE2 3.89Å; L331-F334 WeakPolarHBondContact O-CA 3.47Å; L331-F334 WeakPolarHBondContact O-CB 3.46Å; L331-F334 PolarHBondContact O-N 2.9Å; L331-I336 CarbonylContact C-O 3.53Å; L331-I336 HydrophobicContact CB-CB 3.96Å; L331-I336 HydrophobicContact CB-CG2 4.32Å; L331-I336 PolarHBondContact O-N 3.2Å; L331-F339 HydrophobicContact CD1-CE1 4.28Å
332E81.2Confident80.9Confident106 Ų10651.6 Ų51.650%0.49528%0.281SS..G310 helixtrans-58.9-33.1-178.1-62.8151.1154.900111.2R330 F334 G335 I336 A338R330-E332 WeakPolarHBondContact CD-OE2 3.23Å; E332-F334 PolarHBondContact O-N 3.22Å; E332-F334 VanDerWaalsContact O-N 3.1Å; E332-G335 PolarHBondContact O-N 2.97Å; E332-I336 WeakPolarHBondContact CA-O 3.34Å; E332-I336 PolarHBondContact N-O 3.48Å; E332-A338 HydrophobicContact CG-CB 4.43Å
333E81Confident81.3Confident100 Ų10051 Ų5147%0.46727%0.274SS..G310 helixtrans-55.9-25.4172.370.6-178133.500113.6K21 R118 L331K21-E333 IonicContact NZ-OE1 3.75Å; K21-E333 PolarHBondContact NZ-OE1 3Å; R118-E333 PolarHBondContact NH1-O 2.91Å; R118-E333 PolarHBondContact NH2-O 3.37Å; L331-E333 PolarHBondContact O-N 3.38Å
334F79.9Confident81.7Confident12 Ų1250.7 Ų50.75%0.05327%0.273CS..G310 helixtrans-101.56.9178.3-58.9-68.1000112.6K21 L25 N115 R118 L119 L331 E332 I336K21-F334 HydrophobicContact CD-CE2 4.31Å; L25-F334 HydrophobicContact CD1-CD1 4.2Å; L25-F334 HydrophobicContact CD1-CD2 4.19Å; L25-F334 HydrophobicContact CD1-CE1 4.19Å; L25-F334 HydrophobicContact CD1-CE2 4.2Å; L25-F334 HydrophobicContact CD1-CG 4.2Å; L25-F334 HydrophobicContact CD1-CZ 4.21Å; L25-F334 HydrophobicContact CD2-CB 4.26Å; L25-F334 HydrophobicContact CD2-CG 4.32Å; N115-F334 HydrophobicContact CB-CB 4.23Å; N115-F334 HydrophobicContact CB-CD1 3.53Å; N115-F334 HydrophobicContact CB-CE1 4.29Å; N115-F334 HydrophobicContact CB-CG 4.21Å; N115-F334 PolarHBondContact ND2-O 3.03Å; R118-F334 VanDerWaalsContact NH2-CE1 3.26Å; L119-F334 HydrophobicContact CB-CE1 4.1Å; L119-F334 HydrophobicContact CB-CZ 4.02Å; L119-F334 HydrophobicContact CD1-CZ 4.17Å; L119-F334 HydrophobicContact CD2-CZ 4.25Å; L119-F334 HydrophobicContact CG-CZ 4.37Å; L331-F334 HydrophobicContact CB-CD2 4.16Å; L331-F334 HydrophobicContact CD2-CD2 3.81Å; L331-F334 HydrophobicContact CD2-CE2 3.89Å; L331-F334 WeakPolarHBondContact O-CA 3.47Å; L331-F334 WeakPolarHBondContact O-CB 3.46Å; L331-F334 PolarHBondContact O-N 2.9Å; E332-F334 PolarHBondContact O-N 3.22Å; E332-F334 VanDerWaalsContact O-N 3.1Å; F334-I336 VanDerWaalsContact C-N 3.3Å
335G74.7Confident81.9Confident69 Ų6950.7 Ų50.771%0.71127%0.272SS*.THydrogen-bonded Turntrans73.419.6-174.800000114E332E332-G335 PolarHBondContact O-N 2.97Å
336I77.8Confident82.3Confident32 Ų3251.8 Ų51.816%0.16428%0.279CS..EExtended strand (participates in β ladder)trans-100.1118174.2-61.5179.1000107.8L25 L331 E332 F334 F339L25-I336 HydrophobicContact CD2-CD1 3.56Å; L331-I336 CarbonylContact C-O 3.53Å; L331-I336 HydrophobicContact CB-CB 3.96Å; L331-I336 HydrophobicContact CB-CG2 4.32Å; L331-I336 PolarHBondContact O-N 3.2Å; E332-I336 WeakPolarHBondContact CA-O 3.34Å; E332-I336 PolarHBondContact N-O 3.48Å; F334-I336 VanDerWaalsContact C-N 3.3Å; I336-F339 HydrophobicContact CG2-CD1 4.19Å; I336-F339 HydrophobicContact CG2-CE1 3.99Å
337P79Confident82.8Confident105 Ų10551.6 Ų51.668%0.68228%0.277SS*.EExtended strand (participates in β ladder)trans-55143.4174.4-24.734.2000111.2F339P337-F339 WeakPolarHBondContact O-CD1 3.38Å; P337-F339 PolarHBondContact O-N 3.37Å
338A79.9Confident83.6Confident34 Ų3452.3 Ų52.328%0.28128%0.277SS..EExtended strand (participates in β ladder)trans-60.5137.3178.700000111.6L328 V329 R330 E332L328-A338 HydrophobicContact CD1-CB 3.76Å; L328-A338 HydrophobicContact CD2-CB 4.31Å; L328-A338 HydrophobicContact CG-CB 4Å; V329-A338 WeakPolarHBondContact O-CA 3.16Å; R330-A338 HydrophobicContact CG-CB 3.97Å; E332-A338 HydrophobicContact CG-CB 4.43Å
339F82.7Confident84Confident72 Ų7248.4 Ų48.432%0.31626%0.256SS..EExtended strand (participates in β ladder)trans-145.7160.8-173.568.4-75000111.3V24 V329 L331 I336 P337 P341V24-F339 HydrophobicContact CG1-CE1 4.47Å; V24-F339 HydrophobicContact CG1-CZ 3.81Å; V329-F339 HydrophobicContact CB-CE1 4.4Å; V329-F339 HydrophobicContact CG1-CE1 4.14Å; V329-F339 HydrophobicContact CG1-CZ 4.35Å; V329-F339 PolarHBondContact N-O 2.89Å; V329-F339 PolarHBondContact O-N 3Å; L331-F339 HydrophobicContact CD1-CE1 4.28Å; I336-F339 HydrophobicContact CG2-CD1 4.19Å; I336-F339 HydrophobicContact CG2-CE1 3.99Å; P337-F339 WeakPolarHBondContact O-CD1 3.38Å; P337-F339 PolarHBondContact O-N 3.37Å; F339-P341 HydrophobicContact CD2-CB 4.24Å; F339-P341 HydrophobicContact CD2-CG 4.49Å; F339-P341 HydrophobicContact CE2-CB 3.85Å; F339-P341 HydrophobicContact CE2-CG 4.13Å; F339-P341 WeakPolarHBondContact O-CD 3.16Å
340I85.1Confident84.3Confident93 Ų9348.1 Ų48.148%0.47725%0.254SS..  trans-107.8102179-60.8172.2000108.1L328L328-I340 HydrophobicContact CB-CG1 4.36Å; L328-I340 HydrophobicContact CD1-CG1 4.03Å
341P83.3Confident84.5Confident10 Ų1041.9 Ų41.97%0.06523%0.234CC..  trans-82.5138.617731.3-32.1000111.6A325 G326 E327 V329 F339A325-P341 CarbonylContact C-O 3.58Å; A325-P341 VanDerWaalsContact CA-O 3.3Å; A325-P341 WeakPolarHBondContact CA-O 3.31Å; G326-P341 PolarHBondContact N-O 3.41Å; E327-P341 WeakPolarHBondContact O-CD 3.49Å; V329-P341 HydrophobicContact CB-CG 4.32Å; V329-P341 HydrophobicContact CG2-CG 3.6Å; F339-P341 HydrophobicContact CD2-CB 4.24Å; F339-P341 HydrophobicContact CD2-CG 4.49Å; F339-P341 HydrophobicContact CE2-CB 3.85Å; F339-P341 HydrophobicContact CE2-CG 4.13Å; F339-P341 WeakPolarHBondContact O-CD 3.16Å
342H86.3Confident84.7Confident76 Ų7647.1 Ų47.135%0.35225%0.254SS..  trans-94.9153.2172-71.1-89.7000110.7S311 S312 S344S311-H342 WeakPolarHBondContact OG-CB 3.37Å; S312-H342 WeakPolarHBondContact O-CB 3.01Å; S312-H342 PolarHBondContact O-ND1 3.21Å; H342-S344 PolarHBondContact O-N 2.97Å; H342-S344 VanDerWaalsContact O-N 3.12Å; H342-S344 PolarHBondContact O-OG 2.88Å
343I87.6Confident84.8Confident3 Ų343 Ų432%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-67.4114.6172.9-56.1179.2000107.1F13 L284 S311 S312 L314 A325F13-I343 HydrophobicContact CD1-CG2 3.84Å; F13-I343 HydrophobicContact CE1-CG2 3.62Å; L284-I343 HydrophobicContact CD1-CG2 4.42Å; S311-I343 CarbonylContact C-O 3.59Å; S311-I343 WeakPolarHBondContact CA-O 3.24Å; S312-I343 PolarHBondContact N-O 3.4Å; S312-I343 PolarHBondContact O-N 3.38Å; L314-I343 HydrophobicContact CB-CD1 4.43Å; A325-I343 HydrophobicContact CB-CD1 4.25Å; A325-I343 HydrophobicContact CB-CG1 3.41Å; A325-I343 VanDerWaalsContact CB-CG1 3.41Å
344S90.9Very high84.6Confident23 Ų2338.3 Ų38.316%0.16121%0.212CC..EExtended strand (participates in β ladder)trans-141.2156.6-169.254.20000111.6F13 T14 H15 F310 H342F13-S344 CarbonylContact C-O 3.56Å; F13-S344 VanDerWaalsContact CA-O 3.28Å; F13-S344 WeakPolarHBondContact CA-O 3.14Å; F13-S344 WeakPolarHBondContact CD1-O 3.45Å; T14-S344 PolarHBondContact N-O 3.08Å; T14-S344 WeakPolarHBondContact OG1-CB 3.19Å; T14-S344 PolarHBondContact OG1-O 3.22Å; T14-S344 PolarHBondContact OG1-OG 2.66Å; H15-S344 PolarHBondContact N-O 2.96Å; H15-S344 VanDerWaalsContact N-O 3.15Å; H15-S344 PolarHBondContact N-OG 2.83Å; H15-S344 PolarHBondContact O-N 3.39Å; F310-S344 CarbonylContact O-C 3.58Å; F310-S344 WeakPolarHBondContact O-CA 3.2Å; F310-S344 WeakPolarHBondContact O-CB 3.31Å; H342-S344 PolarHBondContact O-N 2.97Å; H342-S344 VanDerWaalsContact O-N 3.12Å; H342-S344 PolarHBondContact O-OG 2.88Å
345G89.3Confident84.4Confident1 Ų142.9 Ų42.91%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-177.2-169.6179.500000114.8M12 T14 E309 F310M12-G345 CarbonylContact O-C 3.58Å; M12-G345 WeakPolarHBondContact O-CA 3.2Å; T14-G345 WeakPolarHBondContact OG1-CA 3.42Å; T14-G345 PolarHBondContact OG1-N 2.89Å; E309-G345 CarbonylContact C-O 2.75Å; E309-G345 VanDerWaalsContact CA-O 3.29Å; E309-G345 WeakPolarHBondContact CA-O 3.32Å; F310-G345 VanDerWaalsContact CD1-C 3.42Å; F310-G345 VanDerWaalsContact CD1-O 3.24Å; F310-G345 WeakPolarHBondContact CD1-O 3.36Å; F310-G345 PolarHBondContact N-O 2.98Å; F310-G345 PolarHBondContact O-N 2.83Å
346V90.6Very high84.1Confident23 Ų2340.5 Ų40.514%0.13921%0.207CC..EExtended strand (participates in β ladder)trans-132.8129.4-179.3-168.80000109.4M12 T14 E307 I308 E309M12-V346 PolarHBondContact N-O 3.21Å; M12-V346 PolarHBondContact O-N 2.92Å; T14-V346 HydrophobicContact CG2-CG2 4.2Å; E307-V346 HydrophobicContact CB-CG1 3.67Å; E307-V346 HydrophobicContact CG-CG1 3.9Å; I308-V346 WeakPolarHBondContact O-CA 3.15Å; E309-V346 HydrophobicContact CG-CG2 4.17Å
347L90.6Very high83.8Confident0 Ų050 Ų500%025%0.247CC..EExtended strand (participates in β ladder)trans-100.9125.7169.5176.861000110L11 L229 L254 L271 L287 I308 L349L11-L347 HydrophobicContact CB-CD1 4.41Å; L11-L347 HydrophobicContact CD1-CB 3.91Å; L11-L347 HydrophobicContact CD1-CD1 4.13Å; L229-L347 HydrophobicContact CD2-CD1 4.47Å; L229-L347 HydrophobicContact CD2-CD2 3.68Å; L254-L347 HydrophobicContact CD1-CD1 3.61Å; L271-L347 HydrophobicContact CD1-CD2 3.82Å; L287-L347 HydrophobicContact CD1-CD2 3.88Å; L287-L347 HydrophobicContact CD2-CB 4.3Å; I308-L347 PolarHBondContact N-O 2.83Å; I308-L347 PolarHBondContact O-N 2.85Å; L347-L349 HydrophobicContact CD2-CD2 3.86Å; L347-L349 HydrophobicContact CG-CD2 4.26Å
348R90.3Very high83.1Confident90 Ų9050.2 Ų50.234%0.3424%0.242SC..EExtended strand (participates in β ladder)trans-91.4123.9166.5-74.3-179.4179.3171.62.7110.8S9 K10 V305 S306 E307S9-R348 PolarHBondContact N-O 3.39Å; K10-R348 PolarHBondContact N-O 2.89Å; K10-R348 PolarHBondContact O-N 2.8Å; V305-R348 HydrophobicContact CG1-CB 3.85Å; V305-R348 HydrophobicContact CG1-CG 4.02Å; S306-R348 WeakPolarHBondContact O-CA 3.42Å; E307-R348 HydrophobicContact CG-CG 3.68Å; E307-R348 IonicContact OE1-CZ 3.95Å; E307-R348 IonicContact OE1-NE 2.98Å; E307-R348 PolarHBondContact OE1-NE 3.43Å; E307-R348 IonicContact OE1-NH2 2.83Å; E307-R348 PolarHBondContact OE1-NH2 3.2Å
349L90.5Very high82.3Confident0 Ų050.2 Ų50.20%025%0.246CC..EExtended strand (participates in β ladder)trans-146.6162173.76581.4000112.3T7 L8 L271 V289 V305 S306 I308 L347 V351T7-L349 CarbonylContact O-C 3.58Å; T7-L349 WeakPolarHBondContact O-CA 3.49Å; T7-L349 VanDerWaalsContact O-CB 3.29Å; T7-L349 WeakPolarHBondContact O-CB 3.42Å; L8-L349 HydrophobicContact CD2-CB 3.82Å; L8-L349 HydrophobicContact CD2-CD2 4.06Å; L271-L349 HydrophobicContact CD1-CD2 3.6Å; V289-L349 HydrophobicContact CG1-CD1 4.1Å; V289-L349 HydrophobicContact CG1-CD2 4.43Å; V289-L349 HydrophobicContact CG2-CD2 4.07Å; V305-L349 CarbonylContact C-O 3.58Å; V305-L349 WeakPolarHBondContact CA-O 2.91Å; S306-L349 PolarHBondContact N-O 3.28Å; S306-L349 PolarHBondContact O-N 3.31Å; S306-L349 VanDerWaalsContact O-N 3.11Å; I308-L349 HydrophobicContact CD1-CD1 4.4Å; I308-L349 HydrophobicContact CD1-CD2 3.72Å; I308-L349 HydrophobicContact CD1-CG 4.12Å; L347-L349 HydrophobicContact CD2-CD2 3.86Å; L347-L349 HydrophobicContact CG-CD2 4.26Å; L349-V351 HydrophobicContact CD1-CG2 3.69Å
350S87.6Confident81.3Confident2 Ų250.3 Ų50.31%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-127.1157.9164.770.60000110.9T7 D303T7-S350 PolarHBondContact N-O 3.34Å; T7-S350 PolarHBondContact O-N 3.47Å; D303-S350 WeakPolarHBondContact OD1-CB 3.46Å; D303-S350 PolarHBondContact OD1-OG 3.37Å
351V86Confident80.4Confident28 Ų2847.1 Ų47.117%0.1724%0.235CC..EExtended strand (participates in β ladder)trans-139.2130.5-179.9-169.70000110L4 I6 V289 P292 L349L4-V351 HydrophobicContact CD1-CG1 3.75Å; I6-V351 HydrophobicContact CG1-CB 4.47Å; I6-V351 HydrophobicContact CG1-CG1 3.75Å; I6-V351 HydrophobicContact CG1-CG2 4.19Å; I6-V351 HydrophobicContact CG2-CG2 4.48Å; V289-V351 HydrophobicContact CG1-CG2 3.52Å; P292-V351 HydrophobicContact CB-CG1 4.16Å; P292-V351 HydrophobicContact CG-CG1 3.94Å; L349-V351 HydrophobicContact CD1-CG2 3.69Å
352R84Confident79.6Confident111 Ų11149.2 Ų49.242%0.41925%0.245SC..EExtended strand (participates in β ladder)trans-147.8163-179.759.8-180177.674.8-3.8111.4V5V5-R352 HydrophobicContact CB-CG 4.15Å; V5-R352 PolarHBondContact N-O 2.98Å; V5-R352 PolarHBondContact O-N 3.37Å; V5-R352 VanDerWaalsContact O-O 3.08Å
353W83.9Confident78.9Confident20 Ų2046.7 Ų46.78%0.07624%0.235CC..EExtended strand (participates in β ladder)trans-77.2146.3166.4-6199.4000110F2 E3 L4 V262 W265 P266 P292 S293 P361 V363 P364F2-W353 HydrophobicContact CB-CZ3 4.24Å; E3-W353 CarbonylContact O-C 3.37Å; E3-W353 WeakPolarHBondContact O-CA 3.3Å; E3-W353 VanDerWaalsContact O-CE3 3.26Å; L4-W353 HydrophobicContact CB-CE3 4.34Å; L4-W353 HydrophobicContact CB-CZ3 4.14Å; V262-W353 HydrophobicContact CG2-CZ3 3.99Å; W265-W353 HydrophobicContact CD2-CZ2 4.43Å; W265-W353 HydrophobicContact CE3-CZ2 4.27Å; W265-W353 AromaticContact CH2-CE2 3.93Å; W265-W353 AromaticContact CH2-CZ2 3.51Å; W265-W353 HydrophobicContact CH2-CZ2 3.51Å; W265-W353 AromaticContact CH2-NE1 3.89Å; W265-W353 AromaticContact CZ2-CZ2 3.74Å; W265-W353 HydrophobicContact CZ2-CZ2 3.74Å; W265-W353 AromaticContact CZ3-CZ2 3.83Å; W265-W353 HydrophobicContact CZ3-CZ2 3.83Å; P266-W353 HydrophobicContact CG-CH2 4.27Å; P292-W353 HydrophobicContact CG-CD2 4.48Å; P292-W353 HydrophobicContact CG-CZ2 3.97Å; S293-W353 PolarHBondContact O-NE1 3Å; W353-P361 HydrophobicContact CB-CB 4.34Å; W353-V363 HydrophobicContact CB-CG2 3.93Å; W353-V363 HydrophobicContact CD2-CG2 4.15Å; W353-V363 HydrophobicContact CG-CG2 3.69Å; W353-P364 HydrophobicContact CH2-CG 3.57Å; W353-P364 HydrophobicContact CZ2-CG 4.32Å; W353-P364 VanDerWaalsContact CZ3-CD 3.4Å; W353-P364 HydrophobicContact CZ3-CG 3.81Å
354G76.8Confident77.8Confident1 Ų146.8 Ų46.81%0.0124%0.236CC..  trans-80.6171.9172.200000111.8E3 P361 L362E3-G354 PolarHBondContact O-N 3.02Å; E3-G354 VanDerWaalsContact OE2-CA 3.24Å; E3-G354 WeakPolarHBondContact OE2-CA 3.43Å; G354-P361 CarbonylContact O-C 3.56Å; G354-P361 WeakPolarHBondContact O-CA 3.23Å; G354-L362 PolarHBondContact O-N 3.46Å
355K75.2Confident76.2Confident108 Ų10852 Ų5247%0.4727%0.267SS..BIsolated β-bridgetrans-121.6133.8-169.9-73.3-179.9170.3-178.30110.9E3 N298 G359 N360E3-K355 PolarHBondContact OE2-N 3.22Å; N298-K355 WeakPolarHBondContact O-CE 3.44Å; N298-K355 PolarHBondContact O-NZ 2.98Å; K355-G359 WeakPolarHBondContact CD-O 3.49Å; K355-G359 WeakPolarHBondContact CG-O 3.2Å; K355-N360 CarbonylContact C-O 3.57Å; K355-N360 WeakPolarHBondContact CA-O 3.29Å
356G69.6Low74.5Confident18 Ų1858.6 Ų58.619%0.18629%0.291CS..  trans-69.3176.6176.600000113.2D358 G359 N360G356-D358 WeakPolarHBondContact CA-OD1 3.39Å; G356-D358 PolarHBondContact O-N 3.3Å; G356-D358 VanDerWaalsContact O-N 3.14Å; G356-G359 PolarHBondContact O-N 2.61Å; G356-N360 PolarHBondContact N-O 3.42Å
357K70.4Confident72.2Confident232 Ų23267.2 Ų67.2100%1.00933%0.327SS*.THydrogen-bonded Turntrans-61.9-19.1176.3-66.9-173.5176.3-175.10113.4
358D64.6Low69.4Low109 Ų10974.5 Ų74.558%0.58337%0.366SS*.THydrogen-bonded Turntrans-90.30.4174.761-28.6000113.3G356 N360G356-D358 WeakPolarHBondContact CA-OD1 3.39Å; G356-D358 PolarHBondContact O-N 3.3Å; G356-D358 VanDerWaalsContact O-N 3.14Å; D358-N360 PolarHBondContact O-N 2.86Å; D358-N360 WeakPolarHBondContact OD2-CB 3.34Å; D358-N360 PolarHBondContact OD2-ND2 3.39Å
359G63.9Low66.5Low34 Ų3475.1 Ų75.135%0.35139%0.39SS..SBendtrans78.4-8.1-178.800000115K355 G356K355-G359 WeakPolarHBondContact CD-O 3.49Å; K355-G359 WeakPolarHBondContact CG-O 3.2Å; G356-G359 PolarHBondContact O-N 2.61Å
360N61.9Low63.6Low75 Ų7586.1 Ų86.140%0.40143%0.432SS..  trans-76.4142.1178.6-68.1-51.4000111.1N298 K355 G356 D358 L362N298-N360 PolarHBondContact ND2-OD1 2.96Å; K355-N360 CarbonylContact C-O 3.57Å; K355-N360 WeakPolarHBondContact CA-O 3.29Å; G356-N360 PolarHBondContact N-O 3.42Å; D358-N360 PolarHBondContact O-N 2.86Å; D358-N360 WeakPolarHBondContact OD2-CB 3.34Å; D358-N360 PolarHBondContact OD2-ND2 3.39Å; N360-L362 PolarHBondContact O-N 2.71Å
361P64.5Low60.8Low26 Ų2694.1 Ų94.117%0.16947%0.473CS..BIsolated β-bridgetrans-72.4132.7-178.230.1-35.5000110.8A296 N298 W353 G354 V363A296-P361 HydrophobicContact CB-CG 3.45Å; A296-P361 VanDerWaalsContact CB-CG 3.45Å; N298-P361 WeakPolarHBondContact OD1-CD 3.39Å; N298-P361 WeakPolarHBondContact OD1-CG 3.48Å; W353-P361 HydrophobicContact CB-CB 4.34Å; G354-P361 CarbonylContact O-C 3.56Å; G354-P361 WeakPolarHBondContact O-CA 3.23Å; P361-V363 VanDerWaalsContact C-N 3.3Å; P361-V363 HydrophobicContact CB-CG2 3.96Å; P361-V363 HydrophobicContact CG-CG2 4.22Å; P361-V363 PolarHBondContact O-N 3.13Å
362L67.8Low58Low53 Ų5398.2 Ų98.228%0.27750%0.503SS..  trans-81.675.3-175.2-64.7172.4000109.7F2 E3 G354 N360F2-L362 CarbonylContact C-O 3.52Å; F2-L362 WeakPolarHBondContact CA-O 3.38Å; F2-L362 WeakPolarHBondContact CB-O 3.22Å; E3-L362 HydrophobicContact CB-CB 3.89Å; E3-L362 HydrophobicContact CB-CD1 3.7Å; E3-L362 HydrophobicContact CB-CG 4.4Å; E3-L362 PolarHBondContact N-O 3.12Å; G354-L362 PolarHBondContact O-N 3.46Å; N360-L362 PolarHBondContact O-N 2.71Å
363V70.5Confident55.5Low23 Ų23102.1 Ų102.114%0.13953%0.526CS..  trans-101.8135.1-173.1-178.60000112.4F2 W265 A296 W353 P361 V365F2-V363 WeakPolarHBondContact CD1-O 3.4Å; F2-V363 WeakPolarHBondContact CE1-O 3.45Å; W265-V363 HydrophobicContact CH2-CG1 4.24Å; W265-V363 HydrophobicContact CZ3-CG1 3.79Å; A296-V363 HydrophobicContact CB-CG2 4.47Å; W353-V363 HydrophobicContact CB-CG2 3.93Å; W353-V363 HydrophobicContact CD2-CG2 4.15Å; W353-V363 HydrophobicContact CG-CG2 3.69Å; P361-V363 VanDerWaalsContact C-N 3.3Å; P361-V363 HydrophobicContact CB-CG2 3.96Å; P361-V363 HydrophobicContact CG-CG2 4.22Å; P361-V363 PolarHBondContact O-N 3.13Å; V363-V365 PolarHBondContact O-N 2.94Å
364P64.1Low53.1Low6 Ų6107.5 Ų107.54%0.03956%0.561CS.*  trans-72.4114.4174.5-4.317.6000111.8F2 W265 W353 R366F2-P364 HydrophobicContact CB-CG 3.79Å; F2-P364 HydrophobicContact CD1-CB 4.4Å; F2-P364 HydrophobicContact CD1-CG 4.43Å; F2-P364 HydrophobicContact CD2-CB 3.48Å; F2-P364 VanDerWaalsContact CD2-CB 3.48Å; F2-P364 HydrophobicContact CD2-CG 3.63Å; F2-P364 HydrophobicContact CE2-CB 3.7Å; F2-P364 HydrophobicContact CE2-CG 4.36Å; F2-P364 HydrophobicContact CG-CB 3.86Å; F2-P364 HydrophobicContact CG-CG 3.66Å; F2-P364 HydrophobicContact CZ-CB 4.26Å; W265-P364 HydrophobicContact CE3-CB 4Å; W265-P364 HydrophobicContact CE3-CG 3.87Å; W265-P364 VanDerWaalsContact CE3-O 3.29Å; W265-P364 HydrophobicContact CZ3-CG 4.28Å; W265-P364 WeakPolarHBondContact CZ3-O 3.33Å; W353-P364 HydrophobicContact CH2-CG 3.57Å; W353-P364 HydrophobicContact CZ2-CG 4.32Å; W353-P364 VanDerWaalsContact CZ3-CD 3.4Å; W353-P364 HydrophobicContact CZ3-CG 3.81Å; P364-R366 PolarHBondContact O-N 3.48Å; P364-R366 VanDerWaalsContact O-N 3.13Å
365V58.5Low50.9Low132 Ų132116.8 Ų116.880%0.861%0.605SS**  trans-62.4116.2175.5-175.60000110.3V363 K367V363-V365 PolarHBondContact O-N 2.94Å; V365-K367 PolarHBondContact O-N 3.32Å; V365-K367 VanDerWaalsContact O-N 3.14Å
366R53.2Low49Very low139 Ų139116.6 Ų116.653%0.52562%0.623SS.*  trans-66110.8173-69.4-171.5172.3-162.3-8.3110.5W265 D294 P364 N368W265-R366 HydrophobicContact CD2-CG 4.46Å; W265-R366 HydrophobicContact CE3-CG 4.02Å; W265-R366 HydrophobicContact CZ3-CG 4.49Å; W265-R366 VanDerWaalsContact NE1-NH2 3.13Å; D294-R366 VanDerWaalsContact OD2-CD 3.29Å; D294-R366 WeakPolarHBondContact OD2-CD 3.26Å; D294-R366 IonicContact OD2-NE 3.68Å; P364-R366 PolarHBondContact O-N 3.48Å; P364-R366 VanDerWaalsContact O-N 3.13Å; R366-N368 PolarHBondContact O-N 3.42Å
367K41.4Very low47.3Very low204 Ų204125.2 Ų125.289%0.88766%0.656SS**  trans-59.9126.9163-74.2-172.4175.5-175.50108.6V365 A369V365-K367 PolarHBondContact O-N 3.32Å; V365-K367 VanDerWaalsContact O-N 3.14Å; K367-A369 PolarHBondContact O-N 3.16Å
368N31.7Very low45.6Very low154 Ų154121 Ų12182%0.82464%0.644SS**  trans-6991.4177.2-80.8-37.3000110.8R366 R370R366-N368 PolarHBondContact O-N 3.42Å; N368-R370 PolarHBondContact O-N 3.02Å
369A30.8Very low44.2Very low102 Ų102123.3 Ų123.384%0.84366%0.657SS**  trans-72.868.3171.900000111.3K367K367-A369 PolarHBondContact O-N 3.16Å
370R30.2Very low42.9Very low232 Ų232126.1 Ų126.188%0.87568%0.676SS**  trans-148.135173.6-75-159.8172.2-167.4-3.8113N368N368-R370 PolarHBondContact O-N 3.02Å
371L28.5Very low41.5Very low169 Ų169129.6 Ų129.689%0.88570%0.695SS**SBendtrans-149.865.9173.6-75.4-178.5000111.8
372S26.8Very low40.2Very low115 Ų115137.8 Ų137.880%0.80473%0.728SS**  trans-178.850.5163.456.90000114.1
373E31.6Very low38.5Very low192 Ų192145.2 Ų145.290%0.89776%0.758SS**  trans-133.261.1172.5-74.7-172.3161.900111.3
374T32.9Very low36.6Very low133 Ų133147.3 Ų147.382%0.81678%0.784SS**SBendtrans-13942.8174.2530000112
375E31.5Very low35.1Very low197 Ų197155.5 Ų155.592%0.92183%0.826SS**  trans-160.959.4175.4-117.9157.1-132.800112.1
376A35.4Very low33.7Very low104 Ų104157.9 Ų157.986%0.8683%0.828SS**  trans-15469173.800000111.8
377K32.3Very low33.1Very low199 Ų199156.1 Ų156.187%0.86584%0.835SS**  trans-102.5117.5160.9-86.7-172174.5-176.60108.7
378N34.7Very low32.7Very low142 Ų142152.6 Ų152.676%0.75983%0.833SS**  trans158.3154.7137.9-78.7-6.2000109.6
379D36.8Very low32.4Very low159 Ų159151 Ų15185%0.8583%0.834SS**  trans63.4140.6168.4-53.1-24.7000117.7
380A35.1Very low32.3Very low93 Ų93151 Ų15177%0.76983%0.834SS**  cis-158.1172.1-17.800000109.7
381D33.9Very low32.1Very low147 Ų147149.3 Ų149.379%0.78684%0.836SS**  trans-59.1144-179.3-63.1-80.2000115.4
382K35.6Very low32.1Very low198 Ų198146.1 Ų146.186%0.86183%0.834SS**  -176.5130105.7-94.6149.8-168.1168.30115.9
383K33.3Very low32Very low210 Ų210148.6 Ų148.691%0.91384%0.838SS**  trans-4142151.6-55.1175.5178.5-178.80119.1
384G29.9Very low31.8Very low67 Ų67146.5 Ų146.569%0.69184%0.838SS**  trans161.2109136.100000119.4
385I33.5Very low31.5Very low178 Ų178148.1 Ų148.191%0.91384%0.838SS**  trans76.2129.4148.8-55167.4000117.8
386E28.8Very low31.3Very low181 Ų181144.1 Ų144.185%0.84683%0.832SS**  trans-120.8-179.2175.5-114.9-153.9162.100110.3
387P40.5Very low30.9Very low102 Ų102144.6 Ų144.666%0.66282%0.824SS**  trans-99.1-162.7-148.241.8-39.2000114.6
388P32.1Very low30.5Very low130 Ų130139.6 Ų139.684%0.84481%0.812SS**  -136.8179.811638.9-28.7000114.9
389S26.5Very low30.1Very low121 Ų121138.5 Ų138.585%0.84682%0.815SS**  trans-103.1161.6-167.352.40000115
390A29.2Very low29.5Very low103 Ų103136 Ų13685%0.85181%0.806SS**  trans-144.8150.5162.200000110.1
391Q26.2Very low28.9Very low196 Ų196138.7 Ų138.792%0.91680%0.796SS**  trans-106.4143.6-173.3-63.5170.3-34.300112.2
392A27.7Very low28.4Very low101 Ų101137.2 Ų137.284%0.83579%0.788SS**  trans-153.8135.3162.400000111.3
393N25.2Very low27.9Very low168 Ų168132.3 Ų132.390%0.89878%0.778SS**  trans-97.1135.9177.9-67-47.3000111.2
394V27.6Very low27.4Very low147 Ų147127 Ų12789%0.89176%0.759SS**  trans-139.6138.5157.7-175.30000109.4
395M26.2Very low27.1Very low168 Ų168131.8 Ų131.883%0.82876%0.764SS**  trans-87.7144.5-174.2-65.6160.956.200112.8
396S26.1Very low26.7Very low113 Ų113129.1 Ų129.179%0.7976%0.758SS**  trans-95.2107.6174.851.30000112.6
397T26.9Very low26.6Very low113 Ų113128.8 Ų128.869%0.69376%0.758SS**  trans-99.8125.417449.40000111.8
398P24.7Very low25.8Very low95 Ų95130.2 Ų130.262%0.61777%0.765SS**  trans-81.9137.1175.333-33.1000111.7
399S26.2Very low25.3Very low118 Ų118128.8 Ų128.883%0.82576%0.757SS**  trans-117.8130.3177.4-72.40000112
400V23.6Very low25.2Very low107 Ų107129.3 Ų129.365%0.64875%0.746SS**  trans-114.7116.1176.91770000110.5R41R41-V400 PolarHBondContact NH2-O 2.86Å
401R23.2Very low24.9Very low150 Ų150132 Ų13257%0.56675%0.745SS**  trans-51.4141.4-178.5-139.4-175.9-151.8-179.96.9112.9E307E307-R401 IonicContact OE1-NH2 2.64Å; E307-R401 PolarHBondContact OE1-NH2 2.99Å; E307-R401 IonicContact OE2-CZ 3.58Å; E307-R401 VanDerWaalsContact OE2-CZ 3.29Å; E307-R401 IonicContact OE2-NE 3.81Å; E307-R401 PolarHBondContact OE2-NE 2.78Å; E307-R401 IonicContact OE2-NH2 2.72Å; E307-R401 PolarHBondContact OE2-NH2 3.47Å
402L22.8Very low24.9Very low116 Ų116129.4 Ų129.461%0.60774%0.738SS**  trans-163.9159.4145.4-108.7166.5000107.9
403S25.2Very low24.9Very low95 Ų95130.7 Ų130.766%0.66474%0.735SS**  trans-113.8134.7-154.954.50000115.8
404L23.8Very low25Very low97 Ų97131.3 Ų131.351%0.50873%0.73SS.*PPolyproline II helixtrans-82.1124.3150.5-82.5162.8000109.3L30 Y33L30-L404 HydrophobicContact CD1-CD1 3.76Å; L30-L404 HydrophobicContact CG-CD1 4.14Å; Y33-L404 HydrophobicContact CD1-CD1 3.77Å; Y33-L404 HydrophobicContact CD1-CG 4.3Å; Y33-L404 HydrophobicContact CE1-CD1 3.98Å; Y33-L404 HydrophobicContact CE1-CD2 4.15Å; Y33-L404 HydrophobicContact CE1-CG 4.01Å
405Q23.6Very low25.1Very low169 Ų169133.6 Ų133.679%0.7973%0.731SS**PPolyproline II helixtrans-94.4142.8164.6-78.3-174.8-32.700110.1M407Q405-M407 PolarHBondContact O-N 2.85Å
406P24.3Very low25.3Very low121 Ų121129.5 Ų129.579%0.78673%0.732SS**PPolyproline II helixtrans-67.9125.5162.8-11.627.6000109.1
407M26.3Very low25.4Very low175 Ų175130.2 Ų130.286%0.86273%0.732SS**PPolyproline II helixtrans-78.1122.6-179.8-169.7177.1-168.700110.9Q405Q405-M407 PolarHBondContact O-N 2.85Å
408V24.1Very low25.4Very low131 Ų131131.6 Ų131.679%0.79474%0.735SS**PPolyproline II helixtrans-76.5138.2160.51790000107.8
409C21.6Very low25.6Very low101 Ų101138.3 Ų138.368%0.68275%0.748SS**PPolyproline II helixtrans-88.8125.5179.2-72.60000111.8
410E24.5Very low25.6Very low132 Ų132139.7 Ų139.762%0.61775%0.746SS**  trans-108.1162151.7-61.9-176.3125.600108K641E410-K641 IonicContact OE2-NZ 2.69Å; E410-K641 PolarHBondContact OE2-NZ 3.26Å
411L23.1Very low25.6Very low159 Ų159139.1 Ų139.183%0.83275%0.753SS**  trans-116.2155.2-166.2-82.7163.1000113.6
412D25.7Very low25.8Very low141 Ų141139.4 Ų139.475%0.75476%0.764SS**  trans62.8163.3157.3-90.7-41.4000118.2
413T28.9Very low25.7Very low129 Ų129139.1 Ų139.179%0.79176%0.755SS**  cis-120.1-174.9-4.137.30000111.8
414K27.3Very low25.7Very low180 Ų180142.1 Ų142.178%0.78375%0.752SS**  trans-83.2174.3178.3-55.5171.8-176.6169.40113.6
415E28.9Very low25.7Very low195 Ų195141.1 Ų141.191%0.91175%0.746SS**  trans83.4137162.7-61.5172.9-156.700117.2
416G30.3Very low25.8Very low82 Ų82141.8 Ų141.885%0.84575%0.752SS**  trans13682.8-173.900000113.7
417T27.7Very low25.9Very low129 Ų129140 Ų14079%0.79174%0.742SS**  trans-87.4163.5-176.445.60000114.5
418N28.3Very low25.8Very low141 Ų141135 Ų13575%0.75472%0.717SS**  trans65.2110.9167.7-65.7-29.8000116.3
419R27.9Very low25.9Very low237 Ų237136 Ų13689%0.89471%0.712SS**  -164.4127.864.5-86.6172169.5155.6-3.3114.4
420N26.1Very low26.1Very low146 Ų146135 Ų13578%0.78171%0.706SS**  trans29.1118141.2-55.317.5000121.5
421A24.8Very low26.1Very low96 Ų96131.2 Ų131.279%0.79370%0.702SS**  trans40.7103.6130.200000121.2
422I26.6Very low26.4Very low156 Ų156130.8 Ų130.880%0.869%0.694SS**  trans-132.5136.7138.7-67.4-175.3000108.6
423Y21.8Very low26.4Very low109 Ų109127.3 Ų127.343%0.42768%0.678SS.*  trans-136.542.8-172.8-130.9-97.8000115.9Q135 Y137Q135-Y423 PolarHBondContact O-OH 3.32Å; Y137-Y423 AromaticContact CD1-CD2 3.64Å; Y137-Y423 HydrophobicContact CD1-CD2 3.64Å; Y137-Y423 AromaticContact CD1-CE1 3.71Å; Y137-Y423 HydrophobicContact CD1-CE1 3.71Å; Y137-Y423 AromaticContact CD1-CE2 2.51Å; Y137-Y423 HydrophobicContact CD1-CE2 2.51Å; Y137-Y423 AromaticContact CD1-CZ 2.29Å; Y137-Y423 WeakPolarHBondContact CD1-OH 3.25Å; Y137-Y423 AromaticContact CD2-CD1 3.67Å; Y137-Y423 HydrophobicContact CD2-CD1 3.67Å; Y137-Y423 AromaticContact CD2-CE1 2.52Å; Y137-Y423 HydrophobicContact CD2-CE1 2.52Å; Y137-Y423 AromaticContact CD2-CE2 3.7Å; Y137-Y423 HydrophobicContact CD2-CE2 3.7Å; Y137-Y423 AromaticContact CD2-CZ 2.29Å; Y137-Y423 WeakPolarHBondContact CD2-OH 3.42Å; Y137-Y423 AromaticContact CE1-CD2 3.93Å; Y137-Y423 HydrophobicContact CE1-CD2 3.93Å; Y137-Y423 AromaticContact CE1-CE1 3.74Å; Y137-Y423 HydrophobicContact CE1-CE1 3.74Å; Y137-Y423 AromaticContact CE1-CE2 2.56Å; Y137-Y423 HydrophobicContact CE1-CE2 2.56Å; Y137-Y423 AromaticContact CE1-CZ 2.29Å; Y137-Y423 WeakPolarHBondContact CE1-OH 3.43Å; Y137-Y423 AromaticContact CE2-CD1 3.95Å; Y137-Y423 HydrophobicContact CE2-CD1 3.95Å; Y137-Y423 AromaticContact CE2-CE1 2.56Å; Y137-Y423 HydrophobicContact CE2-CE1 2.56Å; Y137-Y423 AromaticContact CE2-CE2 3.73Å; Y137-Y423 HydrophobicContact CE2-CE2 3.73Å; Y137-Y423 AromaticContact CE2-CZ 2.29Å; Y137-Y423 WeakPolarHBondContact CE2-OH 3.38Å; Y137-Y423 AromaticContact CG-CD1 3.99Å; Y137-Y423 HydrophobicContact CG-CD1 3.99Å; Y137-Y423 AromaticContact CG-CD2 3.95Å; Y137-Y423 HydrophobicContact CG-CD2 3.95Å; Y137-Y423 AromaticContact CG-CE1 3.12Å; Y137-Y423 HydrophobicContact CG-CE1 3.12Å; Y137-Y423 AromaticContact CG-CE2 3.11Å; Y137-Y423 HydrophobicContact CG-CE2 3.11Å; Y137-Y423 HydrophobicContact CG-CG 4.28Å; Y137-Y423 AromaticContact CG-CZ 2.26Å; Y137-Y423 AromaticContact CZ-CE1 3.19Å; Y137-Y423 AromaticContact CZ-CE2 3.19Å; Y137-Y423 AromaticContact CZ-CZ 2.27Å; Y137-Y423 PolarHBondContact OH-OH 2.82Å
424R25Very low26.2Very low159 Ų159127.6 Ų127.660%0.667%0.668SS**  trans-117.4103-178.1-80.7165.3-176.7-170.9-0.5111.5I449R424-I449 VanDerWaalsContact NH1-CD1 3.31Å; R424-I449 VanDerWaalsContact NH2-CD1 3.29Å
425I23.5Very low26.1Very low75 Ų75121.1 Ų121.139%0.38565%0.646SS.*  trans44.4114.2130.6-57.4156.6000116.4Y46Y46-I425 HydrophobicContact CD1-CD1 3.53Å; Y46-I425 HydrophobicContact CD2-CD1 4.11Å; Y46-I425 HydrophobicContact CE1-CD1 3.26Å; Y46-I425 HydrophobicContact CE2-CD1 3.91Å; Y46-I425 HydrophobicContact CG-CD1 3.93Å; Y46-I425 VanDerWaalsContact CZ-CD1 3.48Å
426M24.4Very low25.8Very low184 Ų184119.1 Ų119.191%0.90664%0.636SS**  trans-115.792.1151.3-72.4-160.3-69.600109.2
427S26.8Very low25.5Very low83 Ų83115.9 Ų115.958%0.5860%0.601SS**  trans-69.4153174.751.10000111.3
428H25.3Very low25.5Very low70 Ų70109.8 Ų109.832%0.32456%0.563SS.*  trans-159.181-165.4-175.2-49.4000112.9R41R41-H428 HydrophobicContact CB-CB 3.87Å; R41-H428 WeakPolarHBondContact CB-O 3.43Å; R41-H428 HydrophobicContact CG-CB 3.68Å; R41-H428 CarbonylContact O-C 3.43Å; R41-H428 VanDerWaalsContact O-C 3.25Å; R41-H428 PolarHBondContact O-N 3.2Å
429H25.3Very low25.3Very low153 Ų153108.6 Ų108.671%0.70855%0.552SS**  trans6583.6155.3-51.782.3000117.9
430S26.9Very low25.3Very low79 Ų7998.6 Ų98.655%0.55252%0.517SS*.  trans-156.8149150.7-177.10000109.1E42E42-S430 WeakPolarHBondContact OE1-CB 3.47Å; E42-S430 PolarHBondContact OE1-OG 3.47Å
431G23.8Very low25.3Very low52 Ų5295.3 Ų95.354%0.53650%0.498SS..  trans-119.5111-163.300000114.9
432K28.3Very low25.5Very low151 Ų15193.6 Ų93.666%0.65748%0.48SS*.  trans-158.1106.3160.8-94.9164.1-176.4178.80106.6
433T26.2Very low25.5Very low67 Ų6789.8 Ų89.841%0.41146%0.464SS..  64.9134.688.159.70000115.2A613T433-A613 HydrophobicContact CG2-CB 3.88Å
434F24.9Very low26.1Very low135 Ų13592 Ų9259%0.59248%0.476SS*.  trans72.3142.3-177.2-61-88.6000115.4H47H47-F434 PolarHBondContact NE2-O 2.99Å
435S25Very low26.4Very low44 Ų4488.3 Ų88.331%0.30847%0.467SS..  cis-158.4-177.8-23.637.70000107Q51Q51-S435 PolarHBondContact OE1-O 3.36Å
436E22.5Very low26.8Very low154 Ų15485.9 Ų85.972%0.7246%0.455SS*.  trans-67.4155.7-177-74169.687.200114.3
437S24Very low27.1Very low13 Ų1383 Ų839%0.09144%0.439CS..  trans55111.8167.446.30000118.1Q51 V55 R58Q51-S437 VanDerWaalsContact OE1-N 3.16Å; Q51-S437 PolarHBondContact OE1-O 3.08Å; V55-S437 WeakPolarHBondContact CG2-OG 3.46Å; R58-S437 PolarHBondContact NH1-OG 2.86Å; R58-S437 VanDerWaalsContact NH1-OG 3.07Å
438Q28.5Very low27.4Very low1 Ų184.9 Ų84.91%0.00544%0.443CS..  trans172.9117.5135.4-104.1159104.500122.9Q50 Q51 L52 A53 L54 V55Q50-Q438 CarbonylContact C-O 3.55Å; Q50-Q438 WeakPolarHBondContact CA-O 3.31Å; Q50-Q438 CarbonylContact O-C 3.53Å; Q51-Q438 CarbonylContact C-O 3.56Å; Q51-Q438 WeakPolarHBondContact CA-O 3.4Å; Q51-Q438 HydrophobicContact CB-CB 4.3Å; Q51-Q438 PolarHBondContact N-O 2.82Å; Q51-Q438 VanDerWaalsContact O-CB 3.28Å; Q51-Q438 WeakPolarHBondContact O-CB 3.49Å; Q51-Q438 PolarHBondContact O-NE2 3.29Å; Q51-Q438 PolarHBondContact O-OE1 2.84Å; L52-Q438 VanDerWaalsContact C-OE1 3.3Å; L52-Q438 VanDerWaalsContact CA-OE1 3.25Å; L52-Q438 VanDerWaalsContact N-CB 3.26Å; L52-Q438 PolarHBondContact N-O 3.49Å; L52-Q438 VanDerWaalsContact N-O 3.09Å; L52-Q438 WeakPolarHBondContact O-CG 3.45Å; L52-Q438 PolarHBondContact O-OE1 2.85Å; L52-Q438 VanDerWaalsContact O-OE1 3.07Å; A53-Q438 PolarHBondContact N-O 3.37Å; L54-Q438 VanDerWaalsContact CA-CA 3.48Å; L54-Q438 VanDerWaalsContact CB-CA 3.41Å; L54-Q438 VanDerWaalsContact N-CG 3.32Å; V55-Q438 HydrophobicContact CB-CG 3.41Å; V55-Q438 VanDerWaalsContact CB-CG 3.41Å; V55-Q438 HydrophobicContact CG2-CG 3.7Å
439F24.5Very low27.9Very low117 Ų11783.6 Ų83.651%0.51344%0.438SS..  12623.2-55.1-88-78.9000130.6Q50 A53 L54 T57Q50-F439 HydrophobicContact CB-CD2 4.4Å; Q50-F439 HydrophobicContact CB-CE2 4.02Å; Q50-F439 HydrophobicContact CG-CE2 3.94Å; A53-F439 VanDerWaalsContact CA-N 3.35Å; L54-F439 HydrophobicContact CB-CB 3.31Å; L54-F439 HydrophobicContact CD2-CB 3.67Å; L54-F439 HydrophobicContact CG-CB 4.11Å; L54-F439 VanDerWaalsContact N-CA 3.34Å; T57-F439 VanDerWaalsContact OG1-C 3.32Å; T57-F439 PolarHBondContact OG1-O 2.98Å; T57-F439 VanDerWaalsContact OG1-O 3.05Å
440T27.1Very low28.2Very low27 Ų2782.3 Ų82.317%0.16643%0.427CS..  trans-125.4-175.4150.626.70000112.2A53 T57A53-T440 WeakPolarHBondContact CB-O 3.5Å; A53-T440 PolarHBondContact O-N 2.87Å; A53-T440 PolarHBondContact O-OG1 2.77Å; T57-T440 WeakPolarHBondContact CA-OG1 3.41Å; T57-T440 HydrophobicContact CG2-CG2 3.64Å; T57-T440 PolarHBondContact N-OG1 2.65Å; T57-T440 WeakPolarHBondContact OG1-CB 3.42Å; T57-T440 WeakPolarHBondContact OG1-CG2 3.43Å; T57-T440 PolarHBondContact OG1-N 3.23Å; T57-T440 PolarHBondContact OG1-OG1 3.15Å
441M27.1Very low28.5Very low77 Ų7784.6 Ų84.638%0.37943%0.429SS..  trans67.951.4168.4-65.6-8382.600113.9T443M441-T443 HydrophobicContact CE-CG2 3.5Å
442S27.2Very low29Very low60 Ų6088.6 Ų88.642%0.4243%0.428SS..  trans-125.735.1151.9-149.10000111.2K444 I445 D446S442-K444 CarbonylContact O-C 3.51Å; S442-K444 PolarHBondContact O-N 3.44Å; S442-I445 CarbonylContact O-C 3.59Å; S442-I445 PolarHBondContact O-N 3.39Å; S442-D446 VanDerWaalsContact C-OD2 3.27Å; S442-D446 WeakPolarHBondContact CA-OD2 3.43Å; S442-D446 PolarHBondContact N-OD2 3.25Å; S442-D446 WeakPolarHBondContact O-CB 3.48Å; S442-D446 PolarHBondContact O-N 3.05Å
443T27.4Very low29.3Very low75 Ų7585.1 Ų85.146%0.4642%0.417SS..THydrogen-bonded Turntrans-49.77.1-16136.80000120.6M441 E447M441-T443 HydrophobicContact CE-CG2 3.5Å; T443-E447 WeakPolarHBondContact O-CG 3.43Å
444K33.7Very low29.7Very low157 Ų15785.1 Ų85.168%0.68342%0.417SS*.THydrogen-bonded Turntrans-120.2-33.3162.5-79.8-177.6173.9175.50113.8S442 D446 E447 D448S442-K444 CarbonylContact O-C 3.51Å; S442-K444 PolarHBondContact O-N 3.44Å; K444-D446 VanDerWaalsContact C-N 3.31Å; K444-E447 WeakPolarHBondContact O-CB 3.48Å; K444-E447 PolarHBondContact O-N 3.47Å; K444-D448 PolarHBondContact O-N 3.2Å; K444-D448 VanDerWaalsContact O-N 3.16Å
445I32.3Very low30.2Very low81 Ų8184.1 Ų84.142%0.41541%0.414SS..Hα-helixtrans-74-31165.3-62.7176.6000109.3S442 E447 I449S442-I445 CarbonylContact O-C 3.59Å; S442-I445 PolarHBondContact O-N 3.39Å; I445-E447 PolarHBondContact O-N 3.02Å; I445-I449 HydrophobicContact CG2-CD1 3.6Å; I445-I449 HydrophobicContact CG2-CG1 4.08Å; I445-I449 WeakPolarHBondContact O-CA 3.46Å; I445-I449 WeakPolarHBondContact O-CB 3.39Å; I445-I449 VanDerWaalsContact O-CG1 3.22Å; I445-I449 WeakPolarHBondContact O-CG1 3.35Å; I445-I449 PolarHBondContact O-N 2.89Å
446D31.4Very low30.8Very low23 Ų2383.3 Ų83.312%0.12341%0.407CS..Hα-helixtrans-65.5-11.8160.8-85.4-48.4000112.6S442 K444 R450S442-D446 VanDerWaalsContact C-OD2 3.27Å; S442-D446 WeakPolarHBondContact CA-OD2 3.43Å; S442-D446 PolarHBondContact N-OD2 3.25Å; S442-D446 WeakPolarHBondContact O-CB 3.48Å; S442-D446 PolarHBondContact O-N 3.05Å; K444-D446 VanDerWaalsContact C-N 3.31Å; D446-R450 WeakPolarHBondContact O-CA 3.35Å; D446-R450 WeakPolarHBondContact O-CB 3.17Å; D446-R450 WeakPolarHBondContact O-CD 3.4Å; D446-R450 WeakPolarHBondContact O-CG 3.03Å; D446-R450 PolarHBondContact O-N 2.92Å; D446-R450 IonicContact OD1-NE 2.69Å
447E31Very low31.4Very low125 Ų12579 Ų7958%0.58439%0.394SS*.Hα-helixtrans-89.4-40.6170.7-79-179.8152.900111T443 K444 I445 E451T443-E447 WeakPolarHBondContact O-CG 3.43Å; K444-E447 WeakPolarHBondContact O-CB 3.48Å; K444-E447 PolarHBondContact O-N 3.47Å; I445-E447 PolarHBondContact O-N 3.02Å; E447-E451 VanDerWaalsContact O-CB 3.29Å; E447-E451 WeakPolarHBondContact O-CB 3.37Å; E447-E451 WeakPolarHBondContact O-CG 3.17Å; E447-E451 PolarHBondContact O-N 2.82Å
448D33.9Very low31.9Very low121 Ų12182.9 Ų82.965%0.64741%0.414SS*.Hα-helixtrans-70.2-33.1169-78.8-17.5000112.5K444 Y452K444-D448 PolarHBondContact O-N 3.2Å; K444-D448 VanDerWaalsContact O-N 3.16Å; D448-Y452 VanDerWaalsContact O-CB 3.27Å; D448-Y452 WeakPolarHBondContact O-CB 3.37Å; D448-Y452 PolarHBondContact O-N 3.27Å
449I34Very low32.6Very low44 Ų4486 Ų8623%0.22643%0.428CS..Hα-helixtrans-89.8-20.3177.6-61.8-178.5000111.4R424 I445 D453R424-I449 VanDerWaalsContact NH1-CD1 3.31Å; R424-I449 VanDerWaalsContact NH2-CD1 3.29Å; I445-I449 HydrophobicContact CG2-CD1 3.6Å; I445-I449 HydrophobicContact CG2-CG1 4.08Å; I445-I449 WeakPolarHBondContact O-CA 3.46Å; I445-I449 WeakPolarHBondContact O-CB 3.39Å; I445-I449 VanDerWaalsContact O-CG1 3.22Å; I445-I449 WeakPolarHBondContact O-CG1 3.35Å; I445-I449 PolarHBondContact O-N 2.89Å; I449-D453 VanDerWaalsContact CG2-OD2 3.29Å; I449-D453 WeakPolarHBondContact CG2-OD2 3.2Å; I449-D453 VanDerWaalsContact O-CA 3.3Å; I449-D453 WeakPolarHBondContact O-CA 3.14Å; I449-D453 WeakPolarHBondContact O-CB 3.26Å; I449-D453 PolarHBondContact O-N 3.14Å
450R32.2Very low33.4Very low126 Ų12682.8 Ų82.848%0.47542%0.416SS..Hα-helixtrans-82.9-21.4158-63.6165-170.4-169.6-3.3111.8D446 V454D446-R450 WeakPolarHBondContact O-CA 3.35Å; D446-R450 WeakPolarHBondContact O-CB 3.17Å; D446-R450 WeakPolarHBondContact O-CD 3.4Å; D446-R450 WeakPolarHBondContact O-CG 3.03Å; D446-R450 PolarHBondContact O-N 2.92Å; D446-R450 IonicContact OD1-NE 2.69Å; R450-V454 HydrophobicContact CB-CG2 4.2Å; R450-V454 VanDerWaalsContact O-CA 3.22Å; R450-V454 WeakPolarHBondContact O-CA 3.43Å; R450-V454 WeakPolarHBondContact O-CB 3.4Å; R450-V454 WeakPolarHBondContact O-CG2 3.28Å; R450-V454 PolarHBondContact O-N 2.78Å
451E33.6Very low34.1Very low127 Ų12783.6 Ų83.659%0.59342%0.423SS*.Hα-helixtrans-71.1-37.7164.2-82.8-140.413300110.2E447 Q455E447-E451 VanDerWaalsContact O-CB 3.29Å; E447-E451 WeakPolarHBondContact O-CB 3.37Å; E447-E451 WeakPolarHBondContact O-CG 3.17Å; E447-E451 PolarHBondContact O-N 2.82Å; E451-Q455 WeakPolarHBondContact O-CA 3.47Å; E451-Q455 WeakPolarHBondContact O-CB 3.42Å; E451-Q455 WeakPolarHBondContact O-CG 3.46Å; E451-Q455 PolarHBondContact O-N 3.1Å
452Y33.8Very low35.3Very low135 Ų13584.9 Ų84.953%0.52943%0.428SS..Hα-helixtrans-77.5-37.1175.7-164.4-96.2000113.3D448 V456D448-Y452 VanDerWaalsContact O-CB 3.27Å; D448-Y452 WeakPolarHBondContact O-CB 3.37Å; D448-Y452 PolarHBondContact O-N 3.27Å; Y452-V456 HydrophobicContact CD1-CG2 4.05Å; Y452-V456 HydrophobicContact CE1-CG2 3.76Å; Y452-V456 WeakPolarHBondContact O-CA 3.5Å; Y452-V456 WeakPolarHBondContact O-CB 3.5Å; Y452-V456 WeakPolarHBondContact O-CG2 3.09Å; Y452-V456 PolarHBondContact O-N 3.28Å
453D34.8Very low37Very low79 Ų7982.9 Ų82.942%0.42241%0.412SS..Hα-helixtrans-89.2-8.7175.5-66.1-22.4000112.8I449 S457I449-D453 VanDerWaalsContact CG2-OD2 3.29Å; I449-D453 WeakPolarHBondContact CG2-OD2 3.2Å; I449-D453 VanDerWaalsContact O-CA 3.3Å; I449-D453 WeakPolarHBondContact O-CA 3.14Å; I449-D453 WeakPolarHBondContact O-CB 3.26Å; I449-D453 PolarHBondContact O-N 3.14Å; D453-S457 WeakPolarHBondContact O-CA 3.2Å; D453-S457 WeakPolarHBondContact O-CB 3.5Å; D453-S457 PolarHBondContact O-N 3.29Å; D453-S457 PolarHBondContact O-OG 2.87Å
454V34.5Very low38.8Very low67 Ų6786 Ų8641%0.40642%0.419SS..Hα-helixtrans-96.9-17.6160.5-177.30000110.4R450 N458R450-V454 HydrophobicContact CB-CG2 4.2Å; R450-V454 VanDerWaalsContact O-CA 3.22Å; R450-V454 WeakPolarHBondContact O-CA 3.43Å; R450-V454 WeakPolarHBondContact O-CB 3.4Å; R450-V454 WeakPolarHBondContact O-CG2 3.28Å; R450-V454 PolarHBondContact O-N 2.78Å; V454-N458 VanDerWaalsContact CG1-ND2 3.33Å; V454-N458 WeakPolarHBondContact CG1-ND2 3.34Å; V454-N458 WeakPolarHBondContact O-CA 3.48Å; V454-N458 WeakPolarHBondContact O-CB 3.33Å; V454-N458 PolarHBondContact O-N 2.82Å; V454-N458 PolarHBondContact O-ND2 2.93Å
455Q35.5Very low40.4Very low114 Ų11483 Ų8353%0.53341%0.407SS..Hα-helixtrans-72.4-43.3157.3-78.3172.619.500110.6E451 E459E451-Q455 WeakPolarHBondContact O-CA 3.47Å; E451-Q455 WeakPolarHBondContact O-CB 3.42Å; E451-Q455 WeakPolarHBondContact O-CG 3.46Å; E451-Q455 PolarHBondContact O-N 3.1Å; Q455-E459 WeakPolarHBondContact O-CA 3.28Å; Q455-E459 WeakPolarHBondContact O-CB 3.4Å; Q455-E459 VanDerWaalsContact O-CG 3.26Å; Q455-E459 WeakPolarHBondContact O-CG 3.43Å; Q455-E459 PolarHBondContact O-N 2.96Å
456V37.6Very low42.1Very low26 Ų2679.9 Ų79.916%0.15839%0.391CS..Hα-helixtrans-77.7-32.6177.6170.50000111.6Y452 L460Y452-V456 HydrophobicContact CD1-CG2 4.05Å; Y452-V456 HydrophobicContact CE1-CG2 3.76Å; Y452-V456 WeakPolarHBondContact O-CA 3.5Å; Y452-V456 WeakPolarHBondContact O-CB 3.5Å; Y452-V456 WeakPolarHBondContact O-CG2 3.09Å; Y452-V456 PolarHBondContact O-N 3.28Å; V456-L460 HydrophobicContact CG1-CD1 3.9Å; V456-L460 HydrophobicContact CG1-CG 4.49Å; V456-L460 VanDerWaalsContact O-CB 3.24Å; V456-L460 WeakPolarHBondContact O-CB 3.3Å; V456-L460 WeakPolarHBondContact O-CD1 3.39Å; V456-L460 WeakPolarHBondContact O-CG 3.27Å; V456-L460 PolarHBondContact O-N 3.04Å
457S34.9Very low43.9Very low63 Ų6382.1 Ų82.144%0.44140%0.401SS..Hα-helixtrans-88.9-12.2171.1-53.70000114.7D453 S461D453-S457 WeakPolarHBondContact O-CA 3.2Å; D453-S457 WeakPolarHBondContact O-CB 3.5Å; D453-S457 PolarHBondContact O-N 3.29Å; D453-S457 PolarHBondContact O-OG 2.87Å; S457-S461 WeakPolarHBondContact O-CA 3.28Å; S457-S461 WeakPolarHBondContact O-CB 3.36Å; S457-S461 PolarHBondContact O-N 3.06Å
458N35.7Very low45.8Very low95 Ų9579.9 Ų79.951%0.50840%0.396SS..Hα-helixtrans-80.7-39.8157.9-69.9-16.9000110.8V454 L460 S461 E462V454-N458 VanDerWaalsContact CG1-ND2 3.33Å; V454-N458 WeakPolarHBondContact CG1-ND2 3.34Å; V454-N458 WeakPolarHBondContact O-CA 3.48Å; V454-N458 WeakPolarHBondContact O-CB 3.33Å; V454-N458 PolarHBondContact O-N 2.82Å; V454-N458 PolarHBondContact O-ND2 2.93Å; N458-L460 VanDerWaalsContact C-N 3.32Å; N458-L460 PolarHBondContact O-N 2.96Å; N458-S461 WeakPolarHBondContact CA-OG 3.1Å; N458-S461 WeakPolarHBondContact O-CB 3.39Å; N458-S461 PolarHBondContact O-N 3.19Å; N458-S461 PolarHBondContact O-OG 2.71Å; N458-E462 PolarHBondContact O-N 3.08Å
459E43.3Very low47.4Very low66 Ų6675 Ų7531%0.30837%0.371SS..Hα-helixtrans-51.9-54166.5-84.5-173.6-174.700108.1Q455 S461 E462 Y463 R962 K965Q455-E459 WeakPolarHBondContact O-CA 3.28Å; Q455-E459 WeakPolarHBondContact O-CB 3.4Å; Q455-E459 VanDerWaalsContact O-CG 3.26Å; Q455-E459 WeakPolarHBondContact O-CG 3.43Å; Q455-E459 PolarHBondContact O-N 2.96Å; E459-S461 VanDerWaalsContact C-N 3.33Å; E459-S461 PolarHBondContact O-N 3.23Å; E459-E462 WeakPolarHBondContact O-CB 3.11Å; E459-E462 PolarHBondContact O-N 3.42Å; E459-Y463 WeakPolarHBondContact O-CD2 3.43Å; E459-Y463 WeakPolarHBondContact O-CE2 3.36Å; E459-R962 IonicContact OE2-NH1 2.75Å; E459-R962 PolarHBondContact OE2-NH1 3.33Å; E459-R962 VanDerWaalsContact OE2-NH1 3.15Å; E459-K965 IonicContact OE1-NZ 3.52Å; E459-K965 PolarHBondContact OE1-NZ 2.82Å; E459-K965 IonicContact OE2-NZ 3.71Å; E459-K965 PolarHBondContact OE2-NZ 3.36Å
460L40.4Very low49.1Very low51 Ų5177.2 Ų77.227%0.26738%0.377SS..G310 helixtrans-71.6-16.9176.3-66.6164.8000114.2V456 N458 E462 Y463V456-L460 HydrophobicContact CG1-CD1 3.9Å; V456-L460 HydrophobicContact CG1-CG 4.49Å; V456-L460 VanDerWaalsContact O-CB 3.24Å; V456-L460 WeakPolarHBondContact O-CB 3.3Å; V456-L460 WeakPolarHBondContact O-CD1 3.39Å; V456-L460 WeakPolarHBondContact O-CG 3.27Å; V456-L460 PolarHBondContact O-N 3.04Å; N458-L460 VanDerWaalsContact C-N 3.32Å; N458-L460 PolarHBondContact O-N 2.96Å; L460-E462 PolarHBondContact O-N 3.48Å; L460-Y463 CarbonylContact O-C 3.57Å; L460-Y463 WeakPolarHBondContact O-CA 3.36Å; L460-Y463 WeakPolarHBondContact O-CB 3.31Å; L460-Y463 PolarHBondContact O-N 3.38Å
461S40.9Very low51Low44 Ų4473.5 Ų73.531%0.30837%0.37SS..G310 helixtrans-67.2-23.417281.20000112S457 N458 E459 Y463 K464S457-S461 WeakPolarHBondContact O-CA 3.28Å; S457-S461 WeakPolarHBondContact O-CB 3.36Å; S457-S461 PolarHBondContact O-N 3.06Å; N458-S461 WeakPolarHBondContact CA-OG 3.1Å; N458-S461 WeakPolarHBondContact O-CB 3.39Å; N458-S461 PolarHBondContact O-N 3.19Å; N458-S461 PolarHBondContact O-OG 2.71Å; E459-S461 VanDerWaalsContact C-N 3.33Å; E459-S461 PolarHBondContact O-N 3.23Å; S461-Y463 PolarHBondContact O-N 3.08Å; S461-K464 WeakPolarHBondContact O-CD 2.99Å; S461-K464 VanDerWaalsContact O-CG 3.31Å; S461-K464 WeakPolarHBondContact O-CG 3.49Å
462E52.6Low52.7Low104 Ų10469.1 Ų69.149%0.48635%0.35SS..G310 helixtrans-70.5-13.5168.3-51.8-159.3112.600112.4N458 E459 L460 K958N458-E462 PolarHBondContact O-N 3.08Å; E459-E462 WeakPolarHBondContact O-CB 3.11Å; E459-E462 PolarHBondContact O-N 3.42Å; L460-E462 PolarHBondContact O-N 3.48Å; E462-K958 HydrophobicContact CB-CD 4.24Å; E462-K958 VanDerWaalsContact CD-CE 3.4Å; E462-K958 VanDerWaalsContact OE1-CE 3.28Å; E462-K958 WeakPolarHBondContact OE1-CE 3.33Å; E462-K958 IonicContact OE1-NZ 3.73Å; E462-K958 PolarHBondContact OE1-NZ 2.71Å; E462-K958 WeakPolarHBondContact OE2-CE 3.36Å; E462-K958 IonicContact OE2-NZ 2.63Å; E462-K958 PolarHBondContact OE2-NZ 3.42Å
463Y63.5Low54.3Low18 Ų1862.8 Ų62.87%0.07133%0.326CS..G310 helixtrans-112.519.8-174.5-58.4-111.9000112.8E459 L460 S461 E465 L466 E467 M955 K958 L959 R962E459-Y463 WeakPolarHBondContact O-CD2 3.43Å; E459-Y463 WeakPolarHBondContact O-CE2 3.36Å; L460-Y463 CarbonylContact O-C 3.57Å; L460-Y463 WeakPolarHBondContact O-CA 3.36Å; L460-Y463 WeakPolarHBondContact O-CB 3.31Å; L460-Y463 PolarHBondContact O-N 3.38Å; S461-Y463 PolarHBondContact O-N 3.08Å; Y463-E465 PolarHBondContact O-N 3.29Å; Y463-L466 HydrophobicContact CD1-CD1 4.31Å; Y463-L466 PolarHBondContact O-N 2.91Å; Y463-E467 PolarHBondContact O-N 3.45Å; Y463-E467 VanDerWaalsContact O-N 3.12Å; Y463-M955 VanDerWaalsContact CA-CE 3.5Å; Y463-M955 HydrophobicContact CD1-CE 3.99Å; Y463-M955 HydrophobicContact CD1-SD 3.48Å; Y463-M955 WeakPolarHBondContact CD1-SD 3Å; Y463-M955 HydrophobicContact CE1-SD 4.1Å; Y463-M955 HydrophobicContact CG-CE 4.19Å; Y463-M955 HydrophobicContact CG-SD 3.92Å; Y463-K958 HydrophobicContact CE1-CB 4.22Å; Y463-K958 PolarHBondContact OH-O 3.34Å; Y463-K958 VanDerWaalsContact OH-O 3.07Å; Y463-L959 HydrophobicContact CE1-CB 4.13Å; Y463-L959 HydrophobicContact CE1-CD1 4.3Å; Y463-R962 WeakPolarHBondContact OH-CB 3.39Å
464K65.9Low55.9Low141 Ų14163.3 Ų63.361%0.61333%0.325SS*.Hα-helixtrans-44.7-37.2-178.6-82.3166.6-175.5176.20114.5S461 T468S461-K464 WeakPolarHBondContact O-CD 2.99Å; S461-K464 VanDerWaalsContact O-CG 3.31Å; S461-K464 WeakPolarHBondContact O-CG 3.49Å; K464-T468 VanDerWaalsContact O-CB 3.3Å; K464-T468 WeakPolarHBondContact O-CB 3.29Å; K464-T468 PolarHBondContact O-N 2.9Å; K464-T468 PolarHBondContact O-OG1 3.47Å
465E65.9Low57.5Low92 Ų9264.4 Ų64.443%0.4333%0.325SS..Hα-helixtrans-61-48.3176.8-63.1177.8168.700112.2Y463 T468 C469 N952 M955Y463-E465 PolarHBondContact O-N 3.29Å; E465-T468 PolarHBondContact O-N 3.39Å; E465-C469 PolarHBondContact O-N 3.45Å; E465-C469 PolarHBondContact O-SG 3.43Å; E465-N952 PolarHBondContact OE2-ND2 3.31Å; E465-N952 VanDerWaalsContact OE2-ND2 3.17Å; E465-M955 HydrophobicContact CB-CE 4.25Å
466L68Low59Low16 Ų1659.2 Ų59.28%0.08430%0.301CS..Hα-helixtrans-69-40179.2-86.9169.3000111.8Y463 T468 C469 R470 M955 L959 F1032 Y1071Y463-L466 HydrophobicContact CD1-CD1 4.31Å; Y463-L466 PolarHBondContact O-N 2.91Å; L466-T468 VanDerWaalsContact C-N 3.34Å; L466-C469 WeakPolarHBondContact O-CB 3.17Å; L466-C469 PolarHBondContact O-N 2.81Å; L466-R470 PolarHBondContact O-N 3.46Å; L466-M955 HydrophobicContact CB-CE 3.94Å; L466-M955 HydrophobicContact CD1-CE 3.57Å; L466-M955 HydrophobicContact CD1-SD 4.34Å; L466-M955 HydrophobicContact CG-CE 3.69Å; L466-L959 HydrophobicContact CD1-CD2 4.16Å; L466-F1032 HydrophobicContact CD1-CD1 4.25Å; L466-F1032 HydrophobicContact CD1-CE1 4.07Å; L466-F1032 HydrophobicContact CD2-CD1 4.29Å; L466-Y1071 HydrophobicContact CD1-CD2 4.37Å; L466-Y1071 HydrophobicContact CD1-CE2 3.95Å; L466-Y1071 HydrophobicContact CD2-CD2 4.04Å; L466-Y1071 HydrophobicContact CD2-CE2 3.83Å; L466-Y1071 HydrophobicContact CG-CE2 3.98Å
467E70Confident60.3Low70 Ų7059.9 Ų59.933%0.32730%0.303SS..Hα-helixtrans-65-39.5176.4-172.854.3-131.800111.6Y463 R470 C471Y463-E467 PolarHBondContact O-N 3.45Å; Y463-E467 VanDerWaalsContact O-N 3.12Å; E467-R470 PolarHBondContact O-N 3.34Å; E467-R470 IonicContact OE1-CZ 3.97Å; E467-R470 VanDerWaalsContact OE1-CZ 3.3Å; E467-R470 IonicContact OE1-NE 2.76Å; E467-R470 PolarHBondContact OE1-NE 2.94Å; E467-R470 IonicContact OE1-NH2 3.14Å; E467-R470 PolarHBondContact OE1-NH2 3.36Å; E467-R470 IonicContact OE2-CZ 2.81Å; E467-R470 VanDerWaalsContact OE2-CZ 3.31Å; E467-R470 IonicContact OE2-NE 2.73Å; E467-R470 PolarHBondContact OE2-NE 3.14Å; E467-R470 VanDerWaalsContact OE2-NE 3.14Å; E467-R470 IonicContact OE2-NH2 2.71Å; E467-R470 PolarHBondContact OE2-NH2 2.87Å; E467-C471 WeakPolarHBondContact O-CB 3.45Å; E467-C471 PolarHBondContact O-N 3.49Å
468T70.6Confident61.8Low79 Ų7959.6 Ų59.649%0.48530%0.301SS..Hα-helixtrans-62.1-44.7173.3-57.10000110.9K464 E465 L466 R470 C471 L472K464-T468 VanDerWaalsContact O-CB 3.3Å; K464-T468 WeakPolarHBondContact O-CB 3.29Å; K464-T468 PolarHBondContact O-N 2.9Å; K464-T468 PolarHBondContact O-OG1 3.47Å; E465-T468 PolarHBondContact O-N 3.39Å; L466-T468 VanDerWaalsContact C-N 3.34Å; T468-R470 PolarHBondContact O-N 3.06Å; T468-C471 PolarHBondContact O-N 3.29Å; T468-L472 HydrophobicContact CG2-CD1 4.06Å; T468-L472 HydrophobicContact CG2-CG 4.45Å; T468-L472 WeakPolarHBondContact O-CB 3.45Å; T468-L472 VanDerWaalsContact O-CG 3.31Å; T468-L472 WeakPolarHBondContact O-CG 3.37Å; T468-L472 PolarHBondContact O-N 2.94Å
469C67.8Low63.2Low19 Ų1956.4 Ų56.413%0.12828%0.284CS..Hα-helixtrans-60.6-43.5175.1-66.10000111.9E465 L466 L472 A473 M824E465-C469 PolarHBondContact O-N 3.45Å; E465-C469 PolarHBondContact O-SG 3.43Å; L466-C469 WeakPolarHBondContact O-CB 3.17Å; L466-C469 PolarHBondContact O-N 2.81Å; C469-L472 PolarHBondContact O-N 2.85Å; C469-A473 WeakPolarHBondContact O-CB 3.27Å; C469-A473 PolarHBondContact O-N 2.8Å; C469-M824 HydrophobicContact CB-CB 4.13Å; C469-M824 HydrophobicContact CB-CG 4.16Å
470R70.4Confident64.4Low90 Ų9053.6 Ų53.634%0.3427%0.271SS..Hα-helixtrans-60.8-48.1176.3-174.9176.674.6143.60.1111.7L466 E467 T468 L472 A473 E474L466-R470 PolarHBondContact O-N 3.46Å; E467-R470 PolarHBondContact O-N 3.34Å; E467-R470 IonicContact OE1-CZ 3.97Å; E467-R470 VanDerWaalsContact OE1-CZ 3.3Å; E467-R470 IonicContact OE1-NE 2.76Å; E467-R470 PolarHBondContact OE1-NE 2.94Å; E467-R470 IonicContact OE1-NH2 3.14Å; E467-R470 PolarHBondContact OE1-NH2 3.36Å; E467-R470 IonicContact OE2-CZ 2.81Å; E467-R470 VanDerWaalsContact OE2-CZ 3.31Å; E467-R470 IonicContact OE2-NE 2.73Å; E467-R470 PolarHBondContact OE2-NE 3.14Å; E467-R470 VanDerWaalsContact OE2-NE 3.14Å; E467-R470 IonicContact OE2-NH2 2.71Å; E467-R470 PolarHBondContact OE2-NH2 2.87Å; T468-R470 PolarHBondContact O-N 3.06Å; R470-L472 PolarHBondContact O-N 3.22Å; R470-A473 WeakPolarHBondContact O-CB 3.36Å; R470-A473 PolarHBondContact O-N 3.35Å; R470-E474 WeakPolarHBondContact O-CG 3.31Å; R470-E474 PolarHBondContact O-N 3.11Å
471C70.4Confident65.5Low48 Ų4856.2 Ų56.232%0.32428%0.28SS..Hα-helixtrans-61.8-42177-179.50000112.2E467 T468 E474 K475E467-C471 WeakPolarHBondContact O-CB 3.45Å; E467-C471 PolarHBondContact O-N 3.49Å; T468-C471 PolarHBondContact O-N 3.29Å; C471-E474 PolarHBondContact O-N 3.32Å; C471-K475 WeakPolarHBondContact O-CB 3.28Å; C471-K475 VanDerWaalsContact O-CG 3.3Å; C471-K475 WeakPolarHBondContact O-CG 3.5Å; C471-K475 PolarHBondContact O-N 3.47Å
472L69.3Low66.6Low35 Ų3555.9 Ų55.918%0.18328%0.278CS..Hα-helixtrans-65.3-38.9174.4-72.2173.4000112.2T468 C469 R470 A476 T823T468-L472 HydrophobicContact CG2-CD1 4.06Å; T468-L472 HydrophobicContact CG2-CG 4.45Å; T468-L472 WeakPolarHBondContact O-CB 3.45Å; T468-L472 VanDerWaalsContact O-CG 3.31Å; T468-L472 WeakPolarHBondContact O-CG 3.37Å; T468-L472 PolarHBondContact O-N 2.94Å; C469-L472 PolarHBondContact O-N 2.85Å; R470-L472 PolarHBondContact O-N 3.22Å; L472-A476 VanDerWaalsContact O-CB 3.31Å; L472-A476 WeakPolarHBondContact O-CB 3.28Å; L472-A476 PolarHBondContact O-N 3.19Å; L472-T823 HydrophobicContact CB-CG2 4.39Å
473A67.7Low67.3Low2 Ų251 Ų512%0.01726%0.255CS..Hα-helixtrans-61.1-46.9173.900000112.2C469 R470 A476 Q477 T823 R825C469-A473 WeakPolarHBondContact O-CB 3.27Å; C469-A473 PolarHBondContact O-N 2.8Å; R470-A473 WeakPolarHBondContact O-CB 3.36Å; R470-A473 PolarHBondContact O-N 3.35Å; A473-A476 PolarHBondContact O-N 2.8Å; A473-Q477 VanDerWaalsContact O-CB 3.28Å; A473-Q477 WeakPolarHBondContact O-CB 3.33Å; A473-Q477 PolarHBondContact O-N 2.65Å; A473-T823 WeakPolarHBondContact CB-O 3.43Å; A473-R825 HydrophobicContact CB-CB 4.3Å; A473-R825 HydrophobicContact CB-CG 3.75Å
474E68.5Low67.3Low89 Ų8950.9 Ų50.942%0.41626%0.255SS..Hα-helixtrans-68.2-38.3-179.5-72174.2-175.200111.8R470 C471 S478R470-E474 WeakPolarHBondContact O-CG 3.31Å; R470-E474 PolarHBondContact O-N 3.11Å; C471-E474 PolarHBondContact O-N 3.32Å; E474-S478 WeakPolarHBondContact O-CB 3.34Å; E474-S478 PolarHBondContact O-N 3.07Å; E474-S478 PolarHBondContact O-OG 3.49Å
475K67.6Low67.1Low90 Ų9048.7 Ų48.739%0.39125%0.247SC..Hα-helixtrans-61.6-50.1169.5-74.7176.7177.9-174.80111.8C471 Q477 S478 V479C471-K475 WeakPolarHBondContact O-CB 3.28Å; C471-K475 VanDerWaalsContact O-CG 3.3Å; C471-K475 WeakPolarHBondContact O-CG 3.5Å; C471-K475 PolarHBondContact O-N 3.47Å; K475-Q477 VanDerWaalsContact C-N 3.33Å; K475-Q477 PolarHBondContact O-N 3.44Å; K475-S478 WeakPolarHBondContact O-CB 3.21Å; K475-S478 PolarHBondContact O-N 3.27Å; K475-S478 VanDerWaalsContact O-N 3.08Å; K475-V479 WeakPolarHBondContact O-CG2 3.48Å; K475-V479 PolarHBondContact O-N 3.19Å
476A67.4Low67Low5 Ų545.5 Ų45.54%0.04123%0.231CC..Hα-helixtrans-62.1-39178.500000112.5L472 A473 S478 V479 R480 M757 T823L472-A476 VanDerWaalsContact O-CB 3.31Å; L472-A476 WeakPolarHBondContact O-CB 3.28Å; L472-A476 PolarHBondContact O-N 3.19Å; A473-A476 PolarHBondContact O-N 2.8Å; A476-S478 VanDerWaalsContact C-N 3.32Å; A476-S478 PolarHBondContact O-N 3.06Å; A476-V479 PolarHBondContact O-N 3Å; A476-R480 WeakPolarHBondContact O-CB 3.47Å; A476-R480 WeakPolarHBondContact O-CD 3.44Å; A476-R480 WeakPolarHBondContact O-CG 3.39Å; A476-R480 PolarHBondContact O-N 2.78Å; A476-M757 HydrophobicContact CB-CE 4.1Å; A476-T823 HydrophobicContact CB-CG2 3.7Å
477Q66.3Low66.7Low41 Ų4144.8 Ų44.819%0.19223%0.228CC..Hα-helixtrans-63.8-37.4173.5-168-176.6-57.700111.6A473 K475 F481A473-Q477 VanDerWaalsContact O-CB 3.28Å; A473-Q477 WeakPolarHBondContact O-CB 3.33Å; A473-Q477 PolarHBondContact O-N 2.65Å; K475-Q477 VanDerWaalsContact C-N 3.33Å; K475-Q477 PolarHBondContact O-N 3.44Å; Q477-F481 WeakPolarHBondContact O-CB 3.23Å; Q477-F481 PolarHBondContact O-N 2.91Å
478S64.5Low66.2Low57 Ų5742.1 Ų42.140%0.39922%0.216SC..Hα-helixtrans-70.9-44.1176.6-58.70000112.3E474 K475 A476 R480 F481 C482E474-S478 WeakPolarHBondContact O-CB 3.34Å; E474-S478 PolarHBondContact O-N 3.07Å; E474-S478 PolarHBondContact O-OG 3.49Å; K475-S478 WeakPolarHBondContact O-CB 3.21Å; K475-S478 PolarHBondContact O-N 3.27Å; K475-S478 VanDerWaalsContact O-N 3.08Å; A476-S478 VanDerWaalsContact C-N 3.32Å; A476-S478 PolarHBondContact O-N 3.06Å; S478-R480 VanDerWaalsContact C-N 3.33Å; S478-R480 PolarHBondContact O-N 2.84Å; S478-F481 WeakPolarHBondContact O-CB 3.18Å; S478-F481 PolarHBondContact O-N 3.02Å; S478-C482 WeakPolarHBondContact O-CB 3.44Å; S478-C482 PolarHBondContact O-N 3.28Å; S478-C482 PolarHBondContact O-SG 2.68Å; S478-C482 VanDerWaalsContact O-SG 3.41Å
479V65.3Low65.5Low27 Ų2742.3 Ų42.316%0.16421%0.211CC..Hα-helixtrans-58.3-45.2171.8172.70000110.6K475 A476 F481 C482 L483 E502 M757K475-V479 WeakPolarHBondContact O-CG2 3.48Å; K475-V479 PolarHBondContact O-N 3.19Å; A476-V479 PolarHBondContact O-N 3Å; V479-F481 PolarHBondContact O-N 3.01Å; V479-C482 PolarHBondContact O-N 2.86Å; V479-L483 WeakPolarHBondContact O-CB 3.29Å; V479-L483 PolarHBondContact O-N 2.89Å; V479-E502 WeakPolarHBondContact CG2-OE2 3.1Å; V479-M757 HydrophobicContact CB-CE 4.22Å; V479-M757 HydrophobicContact CG1-CE 4Å
480R68.8Low64.4Low7 Ų746.2 Ų46.23%0.02623%0.227CC..Hα-helixtrans-58.6-46.9173.8-72.7164.3-176.1-157.5-5.4111.8A476 S478 L484 M757 D801 I813 S815 E830A476-R480 WeakPolarHBondContact O-CB 3.47Å; A476-R480 WeakPolarHBondContact O-CD 3.44Å; A476-R480 WeakPolarHBondContact O-CG 3.39Å; A476-R480 PolarHBondContact O-N 2.78Å; S478-R480 VanDerWaalsContact C-N 3.33Å; S478-R480 PolarHBondContact O-N 2.84Å; R480-L484 VanDerWaalsContact O-CB 3.32Å; R480-L484 WeakPolarHBondContact O-CB 3.27Å; R480-L484 WeakPolarHBondContact O-CG 3.44Å; R480-L484 PolarHBondContact O-N 3.26Å; R480-M757 HydrophobicContact CG-CE 4.03Å; R480-M757 HydrophobicContact CG-SD 3.69Å; R480-M757 PolarHBondContact NE-SD 2.71Å; R480-M757 VanDerWaalsContact NE-SD 3.43Å; R480-D801 IonicContact NH1-OD2 2.76Å; R480-I813 HydrophobicContact CB-CD1 4.11Å; R480-I813 HydrophobicContact CG-CD1 4.18Å; R480-I813 HydrophobicContact CG-CG2 4.21Å; R480-S815 PolarHBondContact NH2-OG 3.27Å; R480-E830 IonicContact CZ-OE1 2.93Å; R480-E830 IonicContact CZ-OE2 3.58Å; R480-E830 IonicContact NH1-OE1 3.21Å; R480-E830 IonicContact NH1-OE2 3.33Å; R480-E830 PolarHBondContact NH1-OE2 2.74Å; R480-E830 VanDerWaalsContact NH2-CD 3.27Å; R480-E830 IonicContact NH2-OE1 2.65Å; R480-E830 PolarHBondContact NH2-OE1 3.07Å; R480-E830 IonicContact NH2-OE2 3.59Å; R480-E830 PolarHBondContact NH2-OE2 3.47Å; R480-E830 VanDerWaalsContact NH2-OE2 3.16Å
481F64.8Low63Low106 Ų10650 Ų5047%0.46525%0.247SC..Hα-helixtrans-58-49.3176.1179.8-68.3000111.6Q477 S478 V479 L484 H485 I805Q477-F481 WeakPolarHBondContact O-CB 3.23Å; Q477-F481 PolarHBondContact O-N 2.91Å; S478-F481 WeakPolarHBondContact O-CB 3.18Å; S478-F481 PolarHBondContact O-N 3.02Å; V479-F481 PolarHBondContact O-N 3.01Å; F481-L484 PolarHBondContact O-N 3.12Å; F481-H485 WeakPolarHBondContact O-CB 3.16Å; F481-H485 PolarHBondContact O-N 2.9Å; F481-I805 HydrophobicContact CD2-CD1 3.62Å; F481-I805 HydrophobicContact CD2-CG1 4.14Å; F481-I805 HydrophobicContact CE2-CD1 3.26Å; F481-I805 HydrophobicContact CE2-CG1 4.2Å; F481-I805 HydrophobicContact CZ-CD1 3.86Å
482C63.8Low61.6Low38 Ų3856.7 Ų56.726%0.25727%0.273SS..Hα-helixtrans-67.6-41.1-177.4-72.70000111.8S478 V479 H485 W486 I498S478-C482 WeakPolarHBondContact O-CB 3.44Å; S478-C482 PolarHBondContact O-N 3.28Å; S478-C482 PolarHBondContact O-SG 2.68Å; S478-C482 VanDerWaalsContact O-SG 3.41Å; V479-C482 PolarHBondContact O-N 2.86Å; C482-H485 PolarHBondContact O-N 3.25Å; C482-W486 WeakPolarHBondContact O-CB 3.42Å; C482-W486 PolarHBondContact O-N 3.19Å; C482-I498 HydrophobicContact CB-CG2 3.82Å
483L65.7Low60.3Low2 Ų261 Ų611%0.0129%0.292CS..Hα-helixtrans-62.1-47.2173175.855.4000111.4V479 H485 W486 L487 Y495 I813V479-L483 WeakPolarHBondContact O-CB 3.29Å; V479-L483 PolarHBondContact O-N 2.89Å; L483-H485 VanDerWaalsContact C-N 3.34Å; L483-H485 PolarHBondContact O-N 2.93Å; L483-W486 HydrophobicContact CD1-CE3 3.92Å; L483-W486 HydrophobicContact CD1-CZ3 4.24Å; L483-W486 PolarHBondContact O-N 3.15Å; L483-L487 HydrophobicContact CD1-CD1 3.75Å; L483-L487 HydrophobicContact CD1-CD2 4.39Å; L483-L487 HydrophobicContact CD1-CG 3.83Å; L483-L487 HydrophobicContact CG-CD1 3.89Å; L483-L487 HydrophobicContact CG-CG 4.41Å; L483-L487 WeakPolarHBondContact O-CB 3.36Å; L483-L487 VanDerWaalsContact O-CG 3.25Å; L483-L487 WeakPolarHBondContact O-CG 3.24Å; L483-L487 PolarHBondContact O-N 2.78Å; L483-Y495 HydrophobicContact CD1-CD2 4.09Å; L483-Y495 HydrophobicContact CD1-CE2 4.01Å; L483-I813 HydrophobicContact CB-CD1 4.26Å; L483-I813 HydrophobicContact CD2-CD1 3.75Å; L483-I813 HydrophobicContact CD2-CG1 4.15Å; L483-I813 HydrophobicContact CG-CD1 3.99Å
484L64.1Low59.2Low14 Ų1463.1 Ų63.17%0.07331%0.305CS..Hα-helixtrans-57.9-45.8174-74.8170.4000111.9R480 F481 T488 V804 V811 I813R480-L484 VanDerWaalsContact O-CB 3.32Å; R480-L484 WeakPolarHBondContact O-CB 3.27Å; R480-L484 WeakPolarHBondContact O-CG 3.44Å; R480-L484 PolarHBondContact O-N 3.26Å; F481-L484 PolarHBondContact O-N 3.12Å; L484-T488 WeakPolarHBondContact O-CB 3.34Å; L484-T488 WeakPolarHBondContact O-CG2 3.49Å; L484-T488 PolarHBondContact O-N 2.63Å; L484-T488 PolarHBondContact O-OG1 2.84Å; L484-V804 HydrophobicContact CD1-CG1 3.7Å; L484-V811 HydrophobicContact CD2-CB 3.57Å; L484-V811 HydrophobicContact CD2-CG1 3.73Å; L484-I813 HydrophobicContact CD1-CD1 4.48Å; L484-I813 HydrophobicContact CD2-CD1 4.1Å; L484-I813 HydrophobicContact CG-CD1 3.82Å
485H62Low57.9Low96 Ų9660.2 Ų60.244%0.44429%0.29SS..Hα-helixtrans-61.8-44.3178-175.9-94.8000111.4F481 C482 L483 T488 H489F481-H485 WeakPolarHBondContact O-CB 3.16Å; F481-H485 PolarHBondContact O-N 2.9Å; C482-H485 PolarHBondContact O-N 3.25Å; L483-H485 VanDerWaalsContact C-N 3.34Å; L483-H485 PolarHBondContact O-N 2.93Å; H485-T488 CarbonylContact O-C 3.5Å; H485-T488 PolarHBondContact O-N 3.31Å; H485-T488 PolarHBondContact O-OG1 3.35Å; H485-H489 AromaticContact CD2-CD2 3.33Å; H485-H489 PolarHBondContact CD2-CD2 3.42Å; H485-H489 AromaticContact CD2-NE2 3.61Å; H485-H489 AromaticContact CE1-CD2 3.72Å; H485-H489 AromaticContact CG-CD2 3.78Å; H485-H489 AromaticContact ND1-CD2 4Å; H485-H489 AromaticContact NE2-CD2 3.28Å; H485-H489 PolarHBondContact NE2-CD2 3.23Å; H485-H489 VanDerWaalsContact NE2-CD2 3.28Å; H485-H489 AromaticContact NE2-NE2 3.51Å; H485-H489 WeakPolarHBondContact O-CB 3.49Å; H485-H489 PolarHBondContact O-CD2 2.95Å; H485-H489 VanDerWaalsContact O-CD2 3.3Å; H485-H489 PolarHBondContact O-N 2.8Å; H485-H489 VanDerWaalsContact O-N 3.11Å
486W63.2Low56.8Low24 Ų2459.2 Ų59.29%0.09129%0.289CS..Hα-helixtrans-65.6-45.5178.2177.776.9000113.7C482 L483 T488 Q493 Y495 I498 F723C482-W486 WeakPolarHBondContact O-CB 3.42Å; C482-W486 PolarHBondContact O-N 3.19Å; L483-W486 HydrophobicContact CD1-CE3 3.92Å; L483-W486 HydrophobicContact CD1-CZ3 4.24Å; L483-W486 PolarHBondContact O-N 3.15Å; W486-T488 PolarHBondContact O-N 3.15Å; W486-T488 VanDerWaalsContact O-N 3.11Å; W486-Q493 VanDerWaalsContact CD1-O 3.28Å; W486-Q493 PolarHBondContact NE1-O 3.38Å; W486-Y495 HydrophobicContact CE3-CD2 4.44Å; W486-Y495 HydrophobicContact CZ3-CD2 4.44Å; W486-I498 HydrophobicContact CB-CD1 3.87Å; W486-I498 HydrophobicContact CG-CD1 4.04Å; W486-F723 HydrophobicContact CH2-CD1 4.28Å; W486-F723 AromaticContact CH2-CD2 3.43Å; W486-F723 HydrophobicContact CH2-CD2 3.43Å; W486-F723 VanDerWaalsContact CH2-CD2 3.43Å; W486-F723 AromaticContact CH2-CE1 4Å; W486-F723 HydrophobicContact CH2-CE1 4Å; W486-F723 AromaticContact CH2-CE2 3.06Å; W486-F723 HydrophobicContact CH2-CE2 3.06Å; W486-F723 HydrophobicContact CH2-CG 4.03Å; W486-F723 AromaticContact CH2-CZ 3.39Å; W486-F723 HydrophobicContact CH2-CZ 3.39Å; W486-F723 HydrophobicContact CZ2-CD2 4.41Å; W486-F723 HydrophobicContact CZ2-CE1 4.45Å; W486-F723 AromaticContact CZ2-CE2 3.63Å; W486-F723 HydrophobicContact CZ2-CE2 3.63Å; W486-F723 AromaticContact CZ2-CZ 3.65Å; W486-F723 HydrophobicContact CZ2-CZ 3.65Å; W486-F723 AromaticContact CZ3-CD2 3.66Å; W486-F723 HydrophobicContact CZ3-CD2 3.66Å; W486-F723 AromaticContact CZ3-CE2 3.62Å; W486-F723 HydrophobicContact CZ3-CE2 3.62Å; W486-F723 HydrophobicContact CZ3-CG 4.43Å; W486-F723 HydrophobicContact CZ3-CZ 4.37Å
487L61.8Low55.7Low1 Ų162.1 Ų62.11%0.00531%0.306CS..Hα-helixtrans-61.1-19.7177-72.4171000113L483 I720 R721 F723 F755 V811L483-L487 HydrophobicContact CD1-CD1 3.75Å; L483-L487 HydrophobicContact CD1-CD2 4.39Å; L483-L487 HydrophobicContact CD1-CG 3.83Å; L483-L487 HydrophobicContact CG-CD1 3.89Å; L483-L487 HydrophobicContact CG-CG 4.41Å; L483-L487 WeakPolarHBondContact O-CB 3.36Å; L483-L487 VanDerWaalsContact O-CG 3.25Å; L483-L487 WeakPolarHBondContact O-CG 3.24Å; L483-L487 PolarHBondContact O-N 2.78Å; L487-I720 HydrophobicContact CB-CG2 4.49Å; L487-I720 WeakPolarHBondContact O-CA 3.43Å; L487-R721 WeakPolarHBondContact CD2-O 3.26Å; L487-R721 PolarHBondContact O-N 3.44Å; L487-F723 HydrophobicContact CD2-CD2 4.36Å; L487-F755 HydrophobicContact CD1-CD1 3.99Å; L487-F755 HydrophobicContact CD1-CE1 3.99Å; L487-F755 HydrophobicContact CD1-CG 4.42Å; L487-F755 HydrophobicContact CD1-CZ 4.42Å; L487-F755 HydrophobicContact CD2-CD1 4.39Å; L487-F755 HydrophobicContact CD2-CE1 3.8Å; L487-F755 HydrophobicContact CD2-CZ 4.41Å; L487-V811 HydrophobicContact CD1-CG1 3.62Å; L487-V811 HydrophobicContact CD1-CG2 4.28Å
488T59.2Low54.6Low14 Ų1462 Ų629%0.08631%0.307CS..THydrogen-bonded Turntrans-125.717.4-170.564.30000114.4L484 H485 W486 V718 I720 K807L484-T488 WeakPolarHBondContact O-CB 3.34Å; L484-T488 WeakPolarHBondContact O-CG2 3.49Å; L484-T488 PolarHBondContact O-N 2.63Å; L484-T488 PolarHBondContact O-OG1 2.84Å; H485-T488 CarbonylContact O-C 3.5Å; H485-T488 PolarHBondContact O-N 3.31Å; H485-T488 PolarHBondContact O-OG1 3.35Å; W486-T488 PolarHBondContact O-N 3.15Å; W486-T488 VanDerWaalsContact O-N 3.11Å; T488-V718 HydrophobicContact CG2-CG1 4.23Å; T488-I720 HydrophobicContact CG2-CG1 4.42Å; T488-K807 HydrophobicContact CG2-CD 4.05Å; T488-K807 PolarHBondContact O-NZ 3.18Å; T488-K807 VanDerWaalsContact OG1-CD 3.23Å; T488-K807 WeakPolarHBondContact OG1-CD 3.36Å; T488-K807 WeakPolarHBondContact OG1-CE 3.32Å; T488-K807 PolarHBondContact OG1-NZ 3.26Å
489H56.5Low53.7Low83 Ų8361.3 Ų61.338%0.38430%0.3SS..  trans-135.4141.1171.2-81.3-75.7000112.2H485 K491 R721 K807H485-H489 AromaticContact CD2-CD2 3.33Å; H485-H489 PolarHBondContact CD2-CD2 3.42Å; H485-H489 AromaticContact CD2-NE2 3.61Å; H485-H489 AromaticContact CE1-CD2 3.72Å; H485-H489 AromaticContact CG-CD2 3.78Å; H485-H489 AromaticContact ND1-CD2 4Å; H485-H489 AromaticContact NE2-CD2 3.28Å; H485-H489 PolarHBondContact NE2-CD2 3.23Å; H485-H489 VanDerWaalsContact NE2-CD2 3.28Å; H485-H489 AromaticContact NE2-NE2 3.51Å; H485-H489 WeakPolarHBondContact O-CB 3.49Å; H485-H489 PolarHBondContact O-CD2 2.95Å; H485-H489 VanDerWaalsContact O-CD2 3.3Å; H485-H489 PolarHBondContact O-N 2.8Å; H485-H489 VanDerWaalsContact O-N 3.11Å; H489-K491 VanDerWaalsContact C-N 3.33Å; H489-K491 PolarHBondContact O-N 3.48Å; H489-R721 PolarHBondContact O-NH1 3.37Å; H489-K807 PolarHBondContact CD2-NZ 3.21Å; H489-K807 PolarHBondContact NE2-NZ 2.86Å
490H45.5Very low52.7Low101 Ų10163.4 Ų63.447%0.46832%0.316SS..  trans-77.5-7.7-173.6-71.1-109.3000115.2Q524 R721H490-Q524 PolarHBondContact CE1-O 2.8Å; H490-Q524 VanDerWaalsContact CE1-O 3.27Å; H490-R721 PolarHBondContact O-NH2 3.31Å
491K40.9Very low51.5Low171 Ų17173.6 Ų73.674%0.74335%0.354SS*.SBendtrans-63.7158-176.9-73.9-166.6174-172.30112H489 Q493 R721H489-K491 VanDerWaalsContact C-N 3.33Å; H489-K491 PolarHBondContact O-N 3.48Å; K491-Q493 PolarHBondContact O-N 2.9Å; K491-R721 PolarHBondContact O-NH1 3.36Å
492Q40.4Very low50.3Low187 Ų18773.1 Ų73.187%0.87435%0.354SS*.  trans-88.45.6-162-72.7176.6-44.800115.9T494Q492-T494 PolarHBondContact O-N 2.87Å
493Q42.2Very low49Very low126 Ų12679.1 Ų79.159%0.58938%0.375SS*.  trans-61.4135.3172-73.7166.4-45.700109.7W486 K491W486-Q493 VanDerWaalsContact CD1-O 3.28Å; W486-Q493 PolarHBondContact NE1-O 3.38Å; K491-Q493 PolarHBondContact O-N 2.9Å
494T44.9Very low47.4Very low46 Ų4687.1 Ų87.128%0.28241%0.413SS..  trans-85.1157.4171.550.80000109.9Q492 D496 T497 I498Q492-T494 PolarHBondContact O-N 2.87Å; T494-D496 PolarHBondContact O-N 3.38Å; T494-T497 PolarHBondContact N-OG1 3.27Å; T494-T497 PolarHBondContact O-N 2.9Å; T494-T497 VanDerWaalsContact O-N 3.13Å; T494-T497 PolarHBondContact O-OG1 3.07Å; T494-T497 PolarHBondContact OG1-N 2.95Å; T494-T497 PolarHBondContact OG1-OG1 2.89Å; T494-I498 PolarHBondContact O-N 3.48Å
495Y41.1Very low45.9Very low28 Ų2892.3 Ų92.311%0.1145%0.45CS..Hα-helixtrans-53.8-39.3171.1179.7-100.2000111L483 W486 T497 I498 V499 M757 H758L483-Y495 HydrophobicContact CD1-CD2 4.09Å; L483-Y495 HydrophobicContact CD1-CE2 4.01Å; W486-Y495 HydrophobicContact CE3-CD2 4.44Å; W486-Y495 HydrophobicContact CZ3-CD2 4.44Å; Y495-T497 PolarHBondContact O-N 2.75Å; Y495-I498 WeakPolarHBondContact O-CB 3.44Å; Y495-I498 PolarHBondContact O-N 3.05Å; Y495-V499 HydrophobicContact CD1-CG2 4.13Å; Y495-V499 HydrophobicContact CD2-CG2 4.47Å; Y495-V499 HydrophobicContact CE1-CG2 3.53Å; Y495-V499 HydrophobicContact CE2-CG2 3.91Å; Y495-V499 PolarHBondContact O-N 2.88Å; Y495-V499 WeakPolarHBondContact OH-CG2 3.41Å; Y495-M757 PolarHBondContact OH-O 2.83Å; Y495-M757 VanDerWaalsContact OH-O 3.07Å; Y495-H758 WeakPolarHBondContact OH-CA 3.45Å
496D44.3Very low44.7Very low70 Ų7089.6 Ų89.637%0.37445%0.445SS..Hα-helixtrans-57.7-43.9176.5-48.5-75.3000112.6T494 I498 V499 S500T494-D496 PolarHBondContact O-N 3.38Å; D496-I498 PolarHBondContact O-N 3.05Å; D496-V499 PolarHBondContact O-N 2.92Å; D496-S500 WeakPolarHBondContact O-CB 3.48Å; D496-S500 PolarHBondContact O-N 2.9Å; D496-S500 PolarHBondContact O-OG 3.11Å; D496-S500 VanDerWaalsContact O-OG 3.08Å
497T45.3Very low43.2Very low65 Ų6593.2 Ų93.240%0.39946%0.461SS..Hα-helixtrans-67.5-14.9176400000115T494 Y495T494-T497 PolarHBondContact N-OG1 3.27Å; T494-T497 PolarHBondContact O-N 2.9Å; T494-T497 VanDerWaalsContact O-N 3.13Å; T494-T497 PolarHBondContact O-OG1 3.07Å; T494-T497 PolarHBondContact OG1-N 2.95Å; T494-T497 PolarHBondContact OG1-OG1 2.89Å; Y495-T497 PolarHBondContact O-N 2.75Å
498I42.8Very low41.6Very low38 Ų38102 Ų10220%0.19550%0.502CS..Hα-helixtrans-85.4-54.3174.7-61.2174.5000108.3C482 W486 T494 Y495 D496 S500 R501C482-I498 HydrophobicContact CB-CG2 3.82Å; W486-I498 HydrophobicContact CB-CD1 3.87Å; W486-I498 HydrophobicContact CG-CD1 4.04Å; T494-I498 PolarHBondContact O-N 3.48Å; Y495-I498 WeakPolarHBondContact O-CB 3.44Å; Y495-I498 PolarHBondContact O-N 3.05Å; D496-I498 PolarHBondContact O-N 3.05Å; I498-S500 PolarHBondContact O-N 2.83Å; I498-R501 PolarHBondContact O-N 2.94Å
499V45.3Very low40.2Very low44 Ų44107 Ų10727%0.26753%0.527SS..Hα-helixtrans-69.3-31.6-178.71800000112.6Y495 D496 R501 E502 K503Y495-V499 HydrophobicContact CD1-CG2 4.13Å; Y495-V499 HydrophobicContact CD2-CG2 4.47Å; Y495-V499 HydrophobicContact CE1-CG2 3.53Å; Y495-V499 HydrophobicContact CE2-CG2 3.91Å; Y495-V499 PolarHBondContact O-N 2.88Å; Y495-V499 WeakPolarHBondContact OH-CG2 3.41Å; D496-V499 PolarHBondContact O-N 2.92Å; V499-R501 PolarHBondContact O-N 2.84Å; V499-E502 PolarHBondContact O-N 3.1Å; V499-E502 VanDerWaalsContact O-N 3.09Å; V499-K503 PolarHBondContact O-N 3.44Å
500S44.3Very low38.7Very low70 Ų70109.7 Ų109.749%0.4955%0.549SS..THydrogen-bonded Turntrans-68.7-15177.676.40000113.7D496 I498D496-S500 WeakPolarHBondContact O-CB 3.48Å; D496-S500 PolarHBondContact O-N 2.9Å; D496-S500 PolarHBondContact O-OG 3.11Å; D496-S500 VanDerWaalsContact O-OG 3.08Å; I498-S500 PolarHBondContact O-N 2.83Å
501R42.5Very low37.8Very low222 Ų222109.9 Ų109.984%0.83856%0.562SS**THydrogen-bonded Turntrans-84.9-12172.3-81.9-176.1158.2-148.6-8.7113.7I498 V499I498-R501 PolarHBondContact O-N 2.94Å; V499-R501 PolarHBondContact O-N 2.84Å
502E41.3Very low37.1Very low96 Ų96111.1 Ų111.145%0.44957%0.571SS.*SBendtrans-116.214.9179.6-63.3179.8177.400111.6V479 V499 E504V479-E502 WeakPolarHBondContact CG2-OE2 3.1Å; V499-E502 PolarHBondContact O-N 3.1Å; V499-E502 VanDerWaalsContact O-N 3.09Å; E502-E504 PolarHBondContact O-N 3.08Å; E502-E504 VanDerWaalsContact O-N 3.11Å
503K36.2Very low36.5Very low164 Ų164110.6 Ų110.671%0.71357%0.568SS**  trans-79.910-162.9-123-171.5-177.8-169.40116.3V499V499-K503 PolarHBondContact O-N 3.44Å
504E31.7Very low35.8Very low169 Ų169109.4 Ų109.479%0.7957%0.574SS**SBendtrans-88.6117.8177.6-67.4-173.7157.900111.7E502 A506E502-E504 PolarHBondContact O-N 3.08Å; E502-E504 VanDerWaalsContact O-N 3.11Å; E504-A506 VanDerWaalsContact C-N 3.34Å; E504-A506 PolarHBondContact O-N 2.84Å
505S31.7Very low35Very low124 Ų124112.4 Ų112.487%0.86759%0.588SS**SBendtrans58.60.6157.168.70000121.8
506A37.1Very low34.3Very low39 Ų39122 Ų12232%0.32262%0.624SS.*SBendtrans-90.6-26.8-174.500000117.6E504E504-A506 VanDerWaalsContact C-N 3.34Å; E504-A506 PolarHBondContact O-N 2.84Å
507F31.9Very low33.7Very low100 Ų100123.2 Ų123.244%0.43963%0.634SS.*  trans-137.2106.3-174.9-73.2-80.5000112.8L509F507-L509 PolarHBondContact O-N 2.92Å
508H29Very low32.9Very low186 Ų186128.9 Ų128.986%0.86166%0.655SS**  trans-78.367.1169.1-82.6-73000111.8
509L29.2Very low32.1Very low119 Ų119138.6 Ų138.662%0.62369%0.689SS**  trans-100.197171.9-76.9169.1000110.3F507 S511F507-L509 PolarHBondContact O-N 2.92Å; L509-S511 PolarHBondContact O-N 2.84Å
510T25.6Very low31.4Very low138 Ų138147.1 Ų147.185%0.84772%0.717SS**  trans-81.295-175.147.60000113
511S27Very low30.5Very low106 Ų106149.4 Ų149.474%0.74173%0.733SS**  trans-158.9116.2156.8-161.50000112.1L509L509-S511 PolarHBondContact O-N 2.84Å
512E24.6Very low29.9Very low196 Ų196147.9 Ų147.992%0.91673%0.732SS**  trans-91.7101.7174.8-65-168.813300111.3
513Q28.7Very low29.2Very low176 Ų176148.1 Ų148.182%0.82275%0.751SS**  trans-139.3118.7163.2-68.5-165.7-5.300110.9
514S26.6Very low29Very low101 Ų101147.9 Ų147.971%0.70675%0.752SS**  trans-74.7126.9-175.764.40000112.8R516S514-R516 PolarHBondContact O-N 2.58Å
515L28.4Very low28.7Very low110 Ų110145 Ų14558%0.57675%0.749SS**  trans-73.987.3174.2-75.8168.6000112.2T517L515-T517 PolarHBondContact O-N 3.14Å
516R27Very low28.6Very low230 Ų230143.9 Ų143.987%0.86874%0.738SS**  trans-65.6102.7170.8-72.3-174.9176.1-175.7-0.6110.8S514 H518S514-R516 PolarHBondContact O-N 2.58Å; R516-H518 PolarHBondContact O-N 3.16Å
517T30.5Very low28.1Very low94 Ų94149.9 Ų149.958%0.57776%0.764SS**  trans-87.1109.4179.243.60000112.4L515 R519L515-T517 PolarHBondContact O-N 3.14Å; T517-R519 PolarHBondContact O-N 2.81Å
518H28.9Very low28Very low184 Ų184149.8 Ų149.885%0.85277%0.774SS**  trans-67.2122.4173.2-97.8-88000111.7R516 R520R516-H518 PolarHBondContact O-N 3.16Å; H518-R520 PolarHBondContact O-N 2.95Å
519R26.4Very low28.3Very low242 Ų242145.6 Ų145.691%0.91376%0.757SS**  trans-66.7111.3166.4-80.9-173.3173.2-168.40.4110.6T517T517-R519 PolarHBondContact O-N 2.81Å
520R30.4Very low28.2Very low224 Ų224149.5 Ų149.585%0.84577%0.769SS**  trans-132.9129.8151.3-76.1-169.2172.2177.7-1.2109.6H518H518-R520 PolarHBondContact O-N 2.95Å
521S26.7Very low28.3Very low117 Ų117144.8 Ų144.882%0.81875%0.748SS**  trans-85.6121.7-172.349.60000112.1
522F28.6Very low28.4Very low190 Ų190142.7 Ų142.783%0.83374%0.742SS**  trans-124.5118.3165.3-72.7-77.9000109.6
523A27.8Very low29Very low102 Ų102140.9 Ų140.984%0.84374%0.736SS**  trans-114.895.2-174.800000111
524Q30.2Very low29.6Very low158 Ų158134.4 Ų134.474%0.73871%0.71SS**  trans-136.9134.5154.5-71.6-165.7-6.500108.7H490H490-Q524 PolarHBondContact CE1-O 2.8Å; H490-Q524 VanDerWaalsContact CE1-O 3.27Å
525P26.4Very low30.3Very low110 Ų110136.9 Ų136.971%0.71471%0.714SS**PPolyproline II helixtrans-76.3158.1171.533.3-34.6000110.6L527P525-L527 PolarHBondContact O-N 3.28Å
526P29.6Very low31.3Very low100 Ų100136.1 Ų136.165%0.64971%0.71SS**PPolyproline II helixtrans-62.4126.6172.526.6-34.1000110.5
527L26.4Very low32.9Very low165 Ų165126.4 Ų126.486%0.86468%0.681SS**PPolyproline II helixtrans-64.2126.1175.7-78.4162000110.2P525P525-L527 PolarHBondContact O-N 3.28Å
528P29.6Very low34.8Very low98 Ų98124.6 Ų124.664%0.63667%0.666SS**PPolyproline II helixtrans-67.9147.3174.928.5-34.3000110.8K530P528-K530 VanDerWaalsContact C-N 3.3Å; P528-K530 PolarHBondContact O-N 2.91Å
529L35.4Very low37.2Very low97 Ų97116.4 Ų116.451%0.50863%0.629SS.*  trans-6977.3-176.6-90.9162.1000113.4G531 I715L529-G531 PolarHBondContact O-N 2.94Å; L529-I715 HydrophobicContact CD1-CG2 4.45Å
530K27.7Very low40.1Very low202 Ų202110.6 Ų110.688%0.87861%0.606SS**  trans-75.382.7170-72-172.8174.6-176.40110.8P528P528-K530 VanDerWaalsContact C-N 3.3Å; P528-K530 PolarHBondContact O-N 2.91Å
531G27.5Very low42.9Very low39 Ų3999.9 Ų99.940%0.40257%0.566SS.*SBendtrans179.9107.1171.500000114.5L529L529-G531 PolarHBondContact O-N 2.94Å
532G30Very low46.1Very low61 Ų6194.8 Ų94.863%0.62953%0.529SS*.  trans83.141.3167.400000116.4S534G532-S534 PolarHBondContact O-N 2.81Å
533M35.3Very low49.2Very low159 Ų15985.7 Ų85.778%0.78349%0.49SS*.  trans-64.3105.2171.6-72.4-176.474.900111.6I535M533-I535 PolarHBondContact O-N 2.89Å
534S42Very low52.4Low40 Ų4080.9 Ų80.928%0.2845%0.45SS..  trans-61.8119.5142.3178.20000106.8G532 D536 G537 Q538G532-S534 PolarHBondContact O-N 2.81Å; S534-D536 PolarHBondContact O-N 2.78Å; S534-G537 PolarHBondContact O-N 2.8Å; S534-Q538 VanDerWaalsContact CB-O 3.25Å; S534-Q538 WeakPolarHBondContact CB-O 3.03Å; S534-Q538 PolarHBondContact OG-O 2.66Å
535I41Very low55.5Low153 Ų15373.3 Ų73.379%0.78541%0.414SS*.THydrogen-bonded Turntrans-56.1-33.4-161.4-64.8170.7000112.5M533M533-I535 PolarHBondContact O-N 2.89Å
536D49Very low58.6Low94 Ų9470 Ų7050%0.50339%0.391SS..THydrogen-bonded Turntrans-99.46.8-178.3-66.1-7000114.8S534 Q538S534-D536 PolarHBondContact O-N 2.78Å; D536-Q538 HydrophobicContact CB-CB 4.4Å; D536-Q538 HydrophobicContact CB-CG 3.72Å; D536-Q538 PolarHBondContact O-N 2.9Å; D536-Q538 PolarHBondContact OD2-NE2 3.42Å
537G60.7Low61.7Low25 Ų2569.7 Ų69.726%0.25838%0.377SS..SBendtrans63.821.1-169.900000114.1S534 F539S534-G537 PolarHBondContact O-N 2.8Å; G537-F539 WeakPolarHBondContact O-CD2 3.43Å; G537-F539 WeakPolarHBondContact O-CE2 3.4Å
538Q70.7Confident64.8Low56 Ų5661.9 Ų61.926%0.26234%0.335SS..EExtended strand (participates in β ladder)trans-88.7137.5177.8-66-16967.200111.4S534 D536 M606 R608S534-Q538 VanDerWaalsContact CB-O 3.25Å; S534-Q538 WeakPolarHBondContact CB-O 3.03Å; S534-Q538 PolarHBondContact OG-O 2.66Å; D536-Q538 HydrophobicContact CB-CB 4.4Å; D536-Q538 HydrophobicContact CB-CG 3.72Å; D536-Q538 PolarHBondContact O-N 2.9Å; D536-Q538 PolarHBondContact OD2-NE2 3.42Å; Q538-M606 HydrophobicContact CB-CE 4.04Å; Q538-R608 HydrophobicContact CG-CG 4.02Å
539F79.9Confident67.6Low13 Ų1357.5 Ų57.56%0.05731%0.307CS..EExtended strand (participates in β ladder)trans-132.9148.6-177.6-64.2-96000110.6G537 I607 L609 F610 I709 P711 P713G537-F539 WeakPolarHBondContact O-CD2 3.43Å; G537-F539 WeakPolarHBondContact O-CE2 3.4Å; F539-I607 HydrophobicContact CB-CG1 4.08Å; F539-I607 PolarHBondContact N-O 3.14Å; F539-I607 WeakPolarHBondContact O-CG1 3.45Å; F539-I607 PolarHBondContact O-N 3.21Å; F539-I607 VanDerWaalsContact O-O 3.12Å; F539-L609 HydrophobicContact CD1-CD1 3.99Å; F539-L609 HydrophobicContact CD2-CB 4.13Å; F539-L609 HydrophobicContact CD2-CD1 3.67Å; F539-L609 HydrophobicContact CD2-CG 3.62Å; F539-L609 HydrophobicContact CE1-CD1 4.02Å; F539-L609 HydrophobicContact CE2-CB 4.1Å; F539-L609 HydrophobicContact CE2-CD1 3.71Å; F539-L609 HydrophobicContact CE2-CG 3.95Å; F539-L609 HydrophobicContact CG-CD1 3.83Å; F539-L609 HydrophobicContact CG-CG 4.04Å; F539-L609 HydrophobicContact CZ-CD1 3.89Å; F539-F610 HydrophobicContact CE2-CD2 4.22Å; F539-F610 AromaticContact CE2-CE2 3.92Å; F539-F610 HydrophobicContact CE2-CE2 3.92Å; F539-F610 AromaticContact CZ-CE2 3.97Å; F539-F610 HydrophobicContact CZ-CE2 3.97Å; F539-I709 HydrophobicContact CB-CG2 3.82Å; F539-I709 HydrophobicContact CD1-CG2 3.83Å; F539-I709 HydrophobicContact CG-CG2 4.16Å; F539-P711 HydrophobicContact CD1-CG 4.08Å; F539-P711 VanDerWaalsContact CD1-O 3.29Å; F539-P711 WeakPolarHBondContact CD1-O 3.22Å; F539-P711 HydrophobicContact CE1-CG 4.01Å; F539-P713 HydrophobicContact CE1-CB 3.8Å; F539-P713 HydrophobicContact CZ-CB 4.12Å
540R86.8Confident70Confident119 Ų11953.5 Ų53.545%0.44929%0.286SS..EExtended strand (participates in β ladder)trans-94.9116.7170-66.1-171.9-57.5-146.75.3109.9L542 M605 M606 I709 E710R540-L542 HydrophobicContact CB-CD2 4.22Å; R540-M605 WeakPolarHBondContact CA-O 3.44Å; R540-M606 HydrophobicContact CG-SD 3.59Å; R540-M606 VanDerWaalsContact CG-SD 3.59Å; R540-I709 CarbonylContact O-C 3.4Å; R540-I709 WeakPolarHBondContact O-CA 3.35Å; R540-E710 HydrophobicContact CB-CB 4.39Å; R540-E710 IonicContact CZ-OE2 2.7Å; R540-E710 PolarHBondContact N-O 3.29Å; R540-E710 IonicContact NE-OE2 3.98Å; R540-E710 IonicContact NH2-OE2 3Å; R540-E710 PolarHBondContact NH2-OE2 3.31Å; R540-E710 PolarHBondContact O-N 3.5Å
541L90.2Very high72.9Confident0 Ų043.9 Ų43.90%024%0.244CC..EExtended strand (participates in β ladder)trans-87.8116.7165.6177.653.6000108.4V543 F582 M605 I607 L623 I665 I707 I709L541-V543 HydrophobicContact CD1-CG2 4.46Å; L541-V543 HydrophobicContact CG-CG2 4.14Å; L541-F582 HydrophobicContact CD2-CD2 4.39Å; L541-F582 HydrophobicContact CD2-CG 4.46Å; L541-M605 HydrophobicContact CD2-CE 3.83Å; L541-M605 HydrophobicContact CG-CE 4.3Å; L541-M605 PolarHBondContact N-O 3.15Å; L541-M605 PolarHBondContact O-N 3.4Å; L541-I607 HydrophobicContact CB-CD1 3.88Å; L541-I607 HydrophobicContact CB-CG1 4.19Å; L541-I607 HydrophobicContact CB-CG2 4.29Å; L541-I607 HydrophobicContact CD2-CD1 4.29Å; L541-L623 HydrophobicContact CD2-CD1 3.9Å; L541-L623 HydrophobicContact CD2-CD2 4.25Å; L541-L623 HydrophobicContact CD2-CG 4.48Å; L541-I665 HydrophobicContact CD1-CG2 4.38Å; L541-I707 HydrophobicContact CD1-CG2 3.77Å; L541-I709 HydrophobicContact CD1-CG1 3.88Å
542L93Very high75.6Confident9 Ų942.4 Ų42.45%0.04723%0.228CC..EExtended strand (participates in β ladder)trans-105.8127.4-178.2-58.2-178.1000109.7R540 I603 S604 I707 R708 E710R540-L542 HydrophobicContact CB-CD2 4.22Å; L542-I603 WeakPolarHBondContact CA-O 3.15Å; L542-S604 WeakPolarHBondContact CD2-OG 3.44Å; L542-I707 WeakPolarHBondContact O-CA 3.34Å; L542-R708 HydrophobicContact CB-CG 4.15Å; L542-R708 HydrophobicContact CD1-CG 4.25Å; L542-R708 PolarHBondContact N-O 3.13Å; L542-R708 PolarHBondContact O-N 2.9Å; L542-E710 VanDerWaalsContact CD1-CD 3.4Å; L542-E710 HydrophobicContact CD1-CG 4.1Å; L542-E710 WeakPolarHBondContact CD1-OE1 3.46Å
543V94.9Very high78Confident0 Ų039.9 Ų39.90%020%0.201CC..EExtended strand (participates in β ladder)trans-129.197.9-172.1-177.30000109.1L541 I545 V580 T602 I603 L623 L625 I707L541-V543 HydrophobicContact CD1-CG2 4.46Å; L541-V543 HydrophobicContact CG-CG2 4.14Å; V543-I545 HydrophobicContact CG1-CG1 4.26Å; V543-V580 HydrophobicContact CG1-CG1 4.39Å; V543-V580 HydrophobicContact CG1-CG2 4.4Å; V543-V580 HydrophobicContact CG2-CG1 4.26Å; V543-T602 CarbonylContact O-C 3.33Å; V543-T602 WeakPolarHBondContact O-CA 3.48Å; V543-I603 HydrophobicContact CB-CB 4.34Å; V543-I603 PolarHBondContact N-O 2.97Å; V543-I603 PolarHBondContact O-N 3.44Å; V543-L623 HydrophobicContact CG2-CD1 4.47Å; V543-L623 HydrophobicContact CG2-CD2 3.74Å; V543-L625 HydrophobicContact CG1-CD2 3.76Å; V543-I707 HydrophobicContact CG1-CG1 4.38Å
544G94.8Very high80Confident0 Ų032.8 Ų32.80%017%0.165CC..EExtended strand (participates in β ladder)trans-83.4121.8174.100000110.7Q601 L705 S706G544-Q601 CarbonylContact C-O 3.53Å; G544-Q601 WeakPolarHBondContact CA-O 3.47Å; G544-L705 CarbonylContact O-C 3.47Å; G544-L705 WeakPolarHBondContact O-CA 3.45Å; G544-S706 PolarHBondContact N-O 2.71Å; G544-S706 PolarHBondContact O-N 2.73Å
545I94.8Very high81.3Confident0 Ų032 Ų320%016%0.16CC..EExtended strand (participates in β ladder)trans-113.4103.6177.3-56.1179.1000106.4V543 F578 V580 W599 N600 Q601 I603 L625 L705V543-I545 HydrophobicContact CG1-CG1 4.26Å; I545-F578 HydrophobicContact CD1-CB 3.75Å; I545-F578 HydrophobicContact CD1-CD2 4.13Å; I545-F578 HydrophobicContact CD1-CG 4.04Å; I545-F578 HydrophobicContact CG2-CD2 3.67Å; I545-F578 HydrophobicContact CG2-CE2 3.79Å; I545-V580 HydrophobicContact CD1-CG2 4.19Å; I545-W599 HydrophobicContact CG2-CB 4.24Å; I545-W599 HydrophobicContact CG2-CD2 4.1Å; I545-W599 HydrophobicContact CG2-CE3 3.97Å; I545-W599 HydrophobicContact CG2-CG 4.25Å; I545-W599 WeakPolarHBondContact O-CB 3.38Å; I545-N600 WeakPolarHBondContact O-CA 3.04Å; I545-N600 PolarHBondContact O-N 2.7Å; I545-N600 VanDerWaalsContact O-N 3.08Å; I545-Q601 PolarHBondContact N-O 3.02Å; I545-Q601 PolarHBondContact O-N 2.76Å; I545-Q601 VanDerWaalsContact O-N 3.13Å; I545-I603 HydrophobicContact CD1-CD1 3.8Å; I545-L625 HydrophobicContact CD1-CD2 4.17Å; I545-L625 HydrophobicContact CG1-CD2 4.33Å; I545-L705 HydrophobicContact CB-CD2 4.36Å; I545-L705 HydrophobicContact CG1-CD2 4.09Å; I545-L705 HydrophobicContact CG2-CD2 4.27Å
546N92.4Very high82.3Confident40 Ų4027.4 Ų27.421%0.21414%0.137CC..EExtended strand (participates in β ladder)trans-84-65.6-175.2-61.5-4.5000109.7W599 N600 H704N546-W599 PolarHBondContact O-N 2.98Å; N546-N600 PolarHBondContact O-N 2.73Å; N546-N600 PolarHBondContact O-OD1 3.48Å; N546-H704 HydrophobicContact CB-CB 4.05Å; N546-H704 WeakPolarHBondContact CB-O 3.28Å; N546-H704 PolarHBondContact N-O 2.95Å
547R93Very high82.3Confident94 Ų9429.2 Ų29.236%0.35514%0.137SC..EExtended strand (participates in β ladder)trans-155.4156.6178.771.9-179.4-142.5-162.32.9112N549 P597 I598 A703 H704R547-N549 VanDerWaalsContact CZ-OD1 3.24Å; R547-N549 PolarHBondContact NE-OD1 3.12Å; R547-N549 PolarHBondContact NH2-ND2 2.81Å; R547-N549 PolarHBondContact NH2-OD1 3.11Å; R547-P597 CarbonylContact C-O 3.25Å; R547-P597 VanDerWaalsContact CA-O 3.23Å; R547-P597 WeakPolarHBondContact CA-O 3.32Å; R547-P597 WeakPolarHBondContact CB-O 3.19Å; R547-I598 HydrophobicContact CB-CB 4.27Å; R547-I598 HydrophobicContact CB-CG1 3.88Å; R547-I598 HydrophobicContact CB-CG2 4.35Å; R547-A703 WeakPolarHBondContact O-CA 3.44Å; R547-H704 HydrophobicContact CG-CB 4.27Å; R547-H704 WeakPolarHBondContact CG-ND1 3.3Å; R547-H704 PolarHBondContact NE-CE1 3.39Å; R547-H704 PolarHBondContact O-N 2.8Å
548C91.2Very high81Confident0 Ų034.2 Ų34.20%016%0.157CC..EExtended strand (participates in β ladder)trans-108.6154.3164.9-156.80000109.7V551 F578 N596 P597 W599 C701 Y702 A703C548-V551 HydrophobicContact CB-CG2 3.81Å; C548-F578 HydrophobicContact CB-CE2 4.43Å; C548-F578 HydrophobicContact CB-CZ 4.45Å; C548-N596 CarbonylContact O-C 3.5Å; C548-N596 VanDerWaalsContact O-CA 3.25Å; C548-N596 WeakPolarHBondContact O-CA 3.35Å; C548-P597 HydrophobicContact CB-CG 4.12Å; C548-P597 PolarHBondContact N-O 3.1Å; C548-P597 WeakPolarHBondContact O-CD 3.26Å; C548-W599 HydrophobicContact CB-CH2 4.26Å; C548-W599 HydrophobicContact CB-CZ3 3.77Å; C548-C701 VanDerWaalsContact SG-SG 3.6Å; C548-Y702 CarbonylContact C-O 3.59Å; C548-Y702 WeakPolarHBondContact CA-O 3.43Å; C548-Y702 PolarHBondContact SG-O 2.9Å; C548-A703 HydrophobicContact CB-CB 4.5Å
549N89.2Confident79Confident6 Ų636.3 Ų36.33%0.03217%0.174CC..EExtended strand (participates in β ladder)trans-126.6148.2178-81.3107.3000110.8R547 V551 N596 C701 Y702 H704R547-N549 VanDerWaalsContact CZ-OD1 3.24Å; R547-N549 PolarHBondContact NE-OD1 3.12Å; R547-N549 PolarHBondContact NH2-ND2 2.81Å; R547-N549 PolarHBondContact NH2-OD1 3.11Å; N549-V551 VanDerWaalsContact C-N 3.27Å; N549-V551 PolarHBondContact O-N 2.8Å; N549-N596 VanDerWaalsContact CA-OD1 3.26Å; N549-N596 WeakPolarHBondContact CA-OD1 3.34Å; N549-N596 PolarHBondContact ND2-OD1 2.95Å; N549-C701 WeakPolarHBondContact O-CA 3.46Å; N549-Y702 HydrophobicContact CB-CD1 3.88Å; N549-Y702 HydrophobicContact CB-CD2 4.43Å; N549-Y702 HydrophobicContact CB-CE1 3.36Å; N549-Y702 HydrophobicContact CB-CE2 4.01Å; N549-Y702 HydrophobicContact CB-CG 4.37Å; N549-Y702 VanDerWaalsContact CB-CZ 3.42Å; N549-Y702 PolarHBondContact N-O 3.29Å; N549-Y702 PolarHBondContact O-N 3.45Å; N549-H704 PolarHBondContact OD1-CE1 2.9Å; N549-H704 VanDerWaalsContact OD1-CE1 3.29Å
550N85.9Confident76.4Confident13 Ų1342.9 Ų42.97%0.0721%0.208CC..SBendtrans52.443.9176.8-55-29.8000113.1P595 N596 Q696 F698N550-P595 PolarHBondContact N-O 3.2Å; N550-N596 PolarHBondContact N-OD1 2.92Å; N550-Q696 PolarHBondContact ND2-OE1 2.99Å; N550-Q696 PolarHBondContact OD1-NE2 2.87Å; N550-Q696 PolarHBondContact OD1-OE1 2.91Å; N550-F698 PolarHBondContact ND2-O 2.91Å
551V87.7Confident73.5Confident1 Ų141 Ų411%0.00623%0.225CC..  trans-66.9130.5175.4-179.80000109.1C548 N549 A553 Y576 P595 P597 L627 L655C548-V551 HydrophobicContact CB-CG2 3.81Å; N549-V551 VanDerWaalsContact C-N 3.27Å; N549-V551 PolarHBondContact O-N 2.8Å; V551-A553 PolarHBondContact O-N 2.88Å; V551-Y576 HydrophobicContact CG1-CD1 3.91Å; V551-Y576 HydrophobicContact CG1-CE1 3.53Å; V551-P595 PolarHBondContact N-O 3.26Å; V551-P597 HydrophobicContact CG2-CG 3.82Å; V551-L627 HydrophobicContact CG1-CD2 4.05Å; V551-L627 HydrophobicContact CG2-CD2 4.07Å; V551-L655 HydrophobicContact CG1-CD1 3.71Å
552P85.6Confident70.5Confident8 Ų845.4 Ų45.45%0.05226%0.262CS..  trans-57.2133.3178-25.334.6000112L683 Y686 V688P552-L683 HydrophobicContact CB-CD1 3.94Å; P552-L683 HydrophobicContact CG-CD1 3.77Å; P552-Y686 HydrophobicContact CB-CD1 4.05Å; P552-Y686 HydrophobicContact CB-CG 4.37Å; P552-Y686 WeakPolarHBondContact O-CD1 3.38Å; P552-V688 HydrophobicContact CG-CG2 4.44Å
553A79.8Confident67.3Low8 Ų853.5 Ų53.57%0.06630%0.297CS..EExtended strand (participates in β ladder)trans-112146179.300000110.8V551 Y686 Q687 Q689V551-A553 PolarHBondContact O-N 2.88Å; A553-Y686 CarbonylContact O-C 3.55Å; A553-Y686 WeakPolarHBondContact O-CA 3.14Å; A553-Q687 PolarHBondContact N-O 2.96Å; A553-Q687 PolarHBondContact O-N 3.14Å; A553-Q687 VanDerWaalsContact O-O 3.13Å; A553-Q689 HydrophobicContact CB-CG 4.41Å
554R77Confident64Low10 Ų1060.6 Ų60.64%0.03834%0.34CS..EExtended strand (participates in β ladder)trans-64.6135.4-178.6-50.9171.265.883.313112D556 R557 E629 N685 Y686 K1022R554-D556 VanDerWaalsContact C-N 3.34Å; R554-D556 WeakPolarHBondContact CB-OD1 3.34Å; R554-D556 IonicContact CZ-OD1 3.55Å; R554-D556 IonicContact CZ-OD2 3.4Å; R554-D556 IonicContact NE-OD1 2.67Å; R554-D556 PolarHBondContact NE-OD1 3.1Å; R554-D556 IonicContact NE-OD2 2.77Å; R554-D556 PolarHBondContact NE-OD2 3.21Å; R554-D556 VanDerWaalsContact NE-OD2 3.09Å; R554-D556 IonicContact NH2-OD2 2.81Å; R554-D556 PolarHBondContact NH2-OD2 2.82Å; R554-R557 HydrophobicContact CB-CG 4.49Å; R554-E629 VanDerWaalsContact CD-OE1 3.29Å; R554-E629 WeakPolarHBondContact CD-OE1 3.22Å; R554-E629 WeakPolarHBondContact CG-OE1 3.48Å; R554-E629 IonicContact NH1-OE2 3.39Å; R554-E629 PolarHBondContact NH1-OE2 3.2Å; R554-N685 CarbonylContact C-O 3.56Å; R554-N685 VanDerWaalsContact CA-O 3.31Å; R554-N685 WeakPolarHBondContact CA-O 3.37Å; R554-Y686 HydrophobicContact CB-CE1 4.47Å; R554-Y686 HydrophobicContact CG-CD1 4.2Å; R554-Y686 HydrophobicContact CG-CE1 3.58Å; R554-K1022 VanDerWaalsContact NH2-CE 3.34Å
555S68.6Low60.9Low24 Ų2469.2 Ų69.217%0.16838%0.378CS..G310 helixtrans-73.7-22.1176.325.40000114R557 N558 N685S555-R557 PolarHBondContact O-N 3.19Å; S555-R557 VanDerWaalsContact O-N 3.13Å; S555-N558 PolarHBondContact O-N 2.99Å; S555-N558 VanDerWaalsContact O-N 3.14Å; S555-N685 PolarHBondContact N-O 3.26Å; S555-N685 VanDerWaalsContact OG-C 3.24Å; S555-N685 PolarHBondContact OG-O 3.07Å; S555-N685 VanDerWaalsContact OG-O 3.07Å; S555-N685 PolarHBondContact OG-OD1 2.92Å
556D62.9Low57.7Low56 Ų5675.3 Ų75.330%0.29942%0.42SS..G310 helixtrans-64.1-14176.858.912.5000114.2R554 N558 N685R554-D556 VanDerWaalsContact C-N 3.34Å; R554-D556 WeakPolarHBondContact CB-OD1 3.34Å; R554-D556 IonicContact CZ-OD1 3.55Å; R554-D556 IonicContact CZ-OD2 3.4Å; R554-D556 IonicContact NE-OD1 2.67Å; R554-D556 PolarHBondContact NE-OD1 3.1Å; R554-D556 IonicContact NE-OD2 2.77Å; R554-D556 PolarHBondContact NE-OD2 3.21Å; R554-D556 VanDerWaalsContact NE-OD2 3.09Å; R554-D556 IonicContact NH2-OD2 2.81Å; R554-D556 PolarHBondContact NH2-OD2 2.82Å; D556-N558 PolarHBondContact O-N 2.86Å; D556-N685 PolarHBondContact N-OD1 2.76Å; D556-N685 PolarHBondContact OD2-ND2 2.9Å
557R49.1Very low54.6Low132 Ų13275.9 Ų75.950%0.49844%0.436SS..G310 helixtrans-67.5-17.4171.7-64.1-172.1-177.1-159.56.2114.6R554 S555R554-R557 HydrophobicContact CB-CG 4.49Å; S555-R557 PolarHBondContact O-N 3.19Å; S555-R557 VanDerWaalsContact O-N 3.13Å
558N33.3Very low51.6Low129 Ų12978.7 Ų78.769%0.6946%0.463SS*.G310 helixtrans-102.37.5-175-68.8-15.5000113.6S555 D556S555-N558 PolarHBondContact O-N 2.99Å; S555-N558 VanDerWaalsContact O-N 3.14Å; D556-N558 PolarHBondContact O-N 2.86Å
559V28.2Very low48.7Very low101 Ų10187.7 Ų87.761%0.61250%0.502SS*.  trans-100.3106.9-170.6-1780000111.4
560I25.7Very low45.9Very low151 Ų15193.3 Ų93.377%0.77454%0.54SS*.SBendtrans69.1107.2162.7-55.1165.8000117A562I560-A562 VanDerWaalsContact C-N 3.29Å; I560-A562 PolarHBondContact O-N 3.22Å
561G27.2Very low43.5Very low78 Ų78100.6 Ų100.680%0.80458%0.578SS**  67.9-0.8112.700000120.8K563G561-K563 PolarHBondContact O-N 3.36Å
562A25.9Very low41.7Very low94 Ų94107 Ų10778%0.77761%0.605SS**  trans-66.594.1-179.600000112.1I560 V564I560-A562 VanDerWaalsContact C-N 3.29Å; I560-A562 PolarHBondContact O-N 3.22Å; A562-V564 PolarHBondContact O-N 3.14Å
563K25.3Very low40Very low178 Ų178113 Ų11377%0.77463%0.633SS**  trans-52137.2164.4-82.4-176.1174.8178.80109.2G561 F565G561-K563 PolarHBondContact O-N 3.36Å; K563-F565 VanDerWaalsContact C-N 3.32Å; K563-F565 HydrophobicContact CB-CD2 4.36Å; K563-F565 HydrophobicContact CB-CE2 4.37Å; K563-F565 PolarHBondContact O-N 3.4Å
564V26.2Very low39Very low150 Ų150114 Ų11491%0.90964%0.636SS**  trans-68.389.3176.9-177.80000109.5A562A562-V564 PolarHBondContact O-N 3.14Å
565F28.8Very low39.4Very low181 Ų181116.4 Ų116.479%0.79465%0.647SS**  trans-80.6126164.8-88.3-84.2000109.4K563 G567K563-F565 VanDerWaalsContact C-N 3.32Å; K563-F565 HydrophobicContact CB-CD2 4.36Å; K563-F565 HydrophobicContact CB-CE2 4.37Å; K563-F565 PolarHBondContact O-N 3.4Å; F565-G567 PolarHBondContact O-N 2.68Å
566S28.1Very low40.5Very low127 Ų127115.4 Ų115.489%0.88864%0.64SS**  trans-67.395.7174.1500000110.2
567G28.2Very low42Very low53 Ų53112.7 Ų112.755%0.54663%0.626SS.*  trans-164.566.2-17200000114.4F565 K569F565-G567 PolarHBondContact O-N 2.68Å; G567-K569 PolarHBondContact O-N 2.92Å
568T28.7Very low44.2Very low152 Ų152106.4 Ų106.493%0.93360%0.602SS**  trans21.863.2153.949.90000118.4
569K31.1Very low47.1Very low189 Ų189100.3 Ų100.382%0.82257%0.569SS**  trans-127.6127.2156.2-73.2-176.4178.7175.30108.7G567 L571G567-K569 PolarHBondContact O-N 2.92Å; K569-L571 PolarHBondContact O-N 3Å
570P30.7Very low50.2Low125 Ų12595.5 Ų95.581%0.81254%0.54SS*.  trans-65130.8177.926.8-33000109.6K572P570-K572 PolarHBondContact O-N 2.75Å
571L36.1Very low53.4Low166 Ų16690.4 Ų90.487%0.86951%0.511SS*.  trans-56.1128.6168.6-78.9134.9000108.7K569 Q573K569-L571 PolarHBondContact O-N 3Å; L571-Q573 PolarHBondContact O-N 3.1Å
572K49.2Very low56.3Low135 Ų13587.1 Ų87.159%0.58747%0.474SS*.  trans-58.6105.4177.8-74.5-172.3163.2-164.10109.6P570 I574 E631P570-K572 PolarHBondContact O-N 2.75Å; K572-I574 VanDerWaalsContact C-N 3.28Å; K572-I574 PolarHBondContact O-N 2.88Å; K572-E631 WeakPolarHBondContact CD-OE1 3.37Å; K572-E631 WeakPolarHBondContact CE-OE1 3.48Å; K572-E631 IonicContact NZ-OE1 3.05Å; K572-E631 PolarHBondContact NZ-OE1 2.93Å
573Q49.9Very low58.9Low134 Ų13487.5 Ų87.563%0.62646%0.456SS*.  trans-7186.1175.3-72.9-172-11.600109.7L571 K575L571-Q573 PolarHBondContact O-N 3.1Å; Q573-K575 HydrophobicContact CB-CD 4.45Å; Q573-K575 PolarHBondContact O-N 3.32Å; Q573-K575 VanDerWaalsContact OE1-CE 3.26Å
574I59.6Low61.3Low28 Ų2882.3 Ų82.314%0.14445%0.453CS..  trans-71.5113.4172.4-68.2171.7000108.2K572 E629K572-I574 VanDerWaalsContact C-N 3.28Å; K572-I574 PolarHBondContact O-N 2.88Å; I574-E629 VanDerWaalsContact CG2-CD 3.47Å; I574-E629 HydrophobicContact CG2-CG 3.33Å
575K84.1Confident63.9Low61 Ų6181.3 Ų81.327%0.26544%0.436SS..EExtended strand (participates in β ladder)trans-115.3138.5-168.7-84163.2175.5171.10111.6Q573 F591 D593 Q630Q573-K575 HydrophobicContact CB-CD 4.45Å; Q573-K575 PolarHBondContact O-N 3.32Å; Q573-K575 VanDerWaalsContact OE1-CE 3.26Å; K575-F591 HydrophobicContact CB-CB 3.92Å; K575-F591 HydrophobicContact CB-CD1 3.72Å; K575-F591 HydrophobicContact CB-CG 4Å; K575-F591 HydrophobicContact CD-CB 3.82Å; K575-F591 HydrophobicContact CD-CD1 4.44Å; K575-F591 HydrophobicContact CD-CD2 4.38Å; K575-F591 HydrophobicContact CD-CG 3.96Å; K575-F591 HydrophobicContact CG-CB 3.91Å; K575-F591 HydrophobicContact CG-CG 4.31Å; K575-D593 WeakPolarHBondContact CA-OD1 3.33Å; K575-D593 WeakPolarHBondContact CG-OD1 3.25Å; K575-Q630 PolarHBondContact N-O 2.96Å; K575-Q630 PolarHBondContact O-N 3.17Å
576Y92.2Very high66.8Low3 Ų379.3 Ų79.31%0.01242%0.423CS..EExtended strand (participates in β ladder)trans-90.3143.1173.6-57.7-74.2000111.5V551 F591 A592 G594 P597 F628 E629 L655V551-Y576 HydrophobicContact CG1-CD1 3.91Å; V551-Y576 HydrophobicContact CG1-CE1 3.53Å; Y576-F591 WeakPolarHBondContact O-CA 3.3Å; Y576-A592 WeakPolarHBondContact CB-O 3.39Å; Y576-A592 WeakPolarHBondContact CD2-O 2.93Å; Y576-A592 PolarHBondContact N-O 3.31Å; Y576-A592 PolarHBondContact O-N 2.84Å; Y576-A592 VanDerWaalsContact O-N 3.14Å; Y576-G594 WeakPolarHBondContact CE2-O 3.41Å; Y576-P597 HydrophobicContact CD2-CB 4.08Å; Y576-P597 HydrophobicContact CD2-CG 3.99Å; Y576-P597 HydrophobicContact CG-CG 4.37Å; Y576-F628 WeakPolarHBondContact CA-O 3.11Å; Y576-E629 HydrophobicContact CD1-CB 4.35Å; Y576-E629 HydrophobicContact CE1-CB 4.26Å; Y576-L655 HydrophobicContact CD1-CD1 3.82Å; Y576-L655 HydrophobicContact CE1-CD1 3.69Å
577V93.9Very high69.8Low0 Ų075.7 Ų75.70%040%0.396CS..EExtended strand (participates in β ladder)trans-144.5139.6178.963.70000110.5Q588 S589 F591 F628 Q630V577-Q588 HydrophobicContact CG2-CB 4.01Å; V577-S589 WeakPolarHBondContact CG2-O 3.36Å; V577-F591 HydrophobicContact CB-CD1 3.99Å; V577-F591 HydrophobicContact CB-CE1 3.93Å; V577-F591 HydrophobicContact CG1-CE1 4.28Å; V577-F591 HydrophobicContact CG2-CD1 4.49Å; V577-F591 HydrophobicContact CG2-CE1 4.24Å; V577-F628 HydrophobicContact CG1-CB 4.04Å; V577-F628 PolarHBondContact N-O 2.92Å; V577-F628 PolarHBondContact O-N 3.28Å; V577-Q630 HydrophobicContact CG1-CB 3.99Å
578F95.2Very high72.9Confident0 Ų076.1 Ų76.10%038%0.384CS..EExtended strand (participates in β ladder)trans-93.9133.6167.4-82.5-82.5000110.2I545 C548 Q588 S589 W599 L625 D626 L627 L677 A703I545-F578 HydrophobicContact CD1-CB 3.75Å; I545-F578 HydrophobicContact CD1-CD2 4.13Å; I545-F578 HydrophobicContact CD1-CG 4.04Å; I545-F578 HydrophobicContact CG2-CD2 3.67Å; I545-F578 HydrophobicContact CG2-CE2 3.79Å; C548-F578 HydrophobicContact CB-CE2 4.43Å; C548-F578 HydrophobicContact CB-CZ 4.45Å; F578-Q588 CarbonylContact O-C 3.54Å; F578-Q588 VanDerWaalsContact O-CA 3.29Å; F578-Q588 WeakPolarHBondContact O-CA 3.13Å; F578-S589 PolarHBondContact N-OG 2.81Å; F578-S589 PolarHBondContact O-N 2.95Å; F578-W599 HydrophobicContact CD2-CD2 4.44Å; F578-W599 HydrophobicContact CD2-CE3 4.41Å; F578-W599 AromaticContact CD2-CH2 3.81Å; F578-W599 HydrophobicContact CD2-CH2 3.81Å; F578-W599 AromaticContact CD2-CZ2 3.83Å; F578-W599 HydrophobicContact CD2-CZ2 3.83Å; F578-W599 HydrophobicContact CD2-CZ3 4.12Å; F578-W599 HydrophobicContact CE2-CE3 4.18Å; F578-W599 AromaticContact CE2-CH2 3.54Å; F578-W599 HydrophobicContact CE2-CH2 3.54Å; F578-W599 HydrophobicContact CE2-CZ2 4.07Å; F578-W599 AromaticContact CE2-CZ3 3.62Å; F578-W599 HydrophobicContact CE2-CZ3 3.62Å; F578-L625 HydrophobicContact CD1-CB 4.1Å; F578-D626 CarbonylContact C-O 3.57Å; F578-D626 VanDerWaalsContact CA-O 3.27Å; F578-D626 WeakPolarHBondContact CA-O 3.44Å; F578-L627 HydrophobicContact CD1-CB 4.1Å; F578-L627 HydrophobicContact CD1-CD1 4.38Å; F578-L627 HydrophobicContact CD2-CD1 4.06Å; F578-L627 HydrophobicContact CE1-CB 3.8Å; F578-L627 HydrophobicContact CE1-CD1 4.23Å; F578-L627 HydrophobicContact CE1-CG 4.48Å; F578-L627 HydrophobicContact CE2-CD1 3.9Å; F578-L627 HydrophobicContact CG-CD1 4.31Å; F578-L627 HydrophobicContact CZ-CB 4.25Å; F578-L627 HydrophobicContact CZ-CD1 3.98Å; F578-L627 HydrophobicContact CZ-CD2 4.47Å; F578-L627 HydrophobicContact CZ-CG 4.46Å; F578-L677 HydrophobicContact CE1-CD2 4.21Å; F578-L677 HydrophobicContact CZ-CD2 4.38Å; F578-A703 HydrophobicContact CZ-CB 3.96Å
579I94.4Very high76Confident1 Ų169 Ų691%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-100.9122.1165.1-57.1-174.1000108R581 W586 Q588 L625 D626 F628I579-R581 HydrophobicContact CG2-CG 3.86Å; I579-W586 HydrophobicContact CG2-CB 4.15Å; I579-W586 HydrophobicContact CG2-CD2 4.25Å; I579-W586 HydrophobicContact CG2-CE3 3.77Å; I579-W586 HydrophobicContact CG2-CG 4.44Å; I579-Q588 HydrophobicContact CG1-CB 4.49Å; I579-L625 WeakPolarHBondContact O-CA 3.34Å; I579-D626 PolarHBondContact N-O 3.32Å; I579-D626 PolarHBondContact O-N 3.28Å; I579-F628 HydrophobicContact CB-CD2 4.41Å; I579-F628 HydrophobicContact CB-CE2 3.99Å; I579-F628 HydrophobicContact CD1-CD2 3.87Å; I579-F628 HydrophobicContact CD1-CE2 3.52Å; I579-F628 HydrophobicContact CD1-CZ 4.14Å; I579-F628 HydrophobicContact CG1-CD2 3.82Å; I579-F628 HydrophobicContact CG1-CE2 3.71Å
580V94.2Very high78.9Confident0 Ų060.5 Ų60.50%030%0.304CS..EExtended strand (participates in β ladder)trans-101.7118.5-178.9-176.30000108.4V543 I545 W586 T587 I603 M605 L623 L625V543-V580 HydrophobicContact CG1-CG1 4.39Å; V543-V580 HydrophobicContact CG1-CG2 4.4Å; V543-V580 HydrophobicContact CG2-CG1 4.26Å; I545-V580 HydrophobicContact CD1-CG2 4.19Å; V580-W586 CarbonylContact O-C 3.6Å; V580-W586 WeakPolarHBondContact O-CA 3.44Å; V580-T587 HydrophobicContact CB-CG2 4.19Å; V580-T587 PolarHBondContact N-O 3.09Å; V580-T587 PolarHBondContact O-N 3.19Å; V580-I603 HydrophobicContact CG2-CD1 3.66Å; V580-M605 HydrophobicContact CG1-CE 3.74Å; V580-M605 HydrophobicContact CG1-SD 3.99Å; V580-L623 HydrophobicContact CG1-CD1 3.55Å; V580-L625 HydrophobicContact CG1-CG 4.45Å; V580-L625 HydrophobicContact CG2-CD2 4.18Å; V580-L625 HydrophobicContact CG2-CG 4.16Å
581R92.7Very high81.8Confident43 Ų4357.4 Ų57.416%0.16228%0.278CS..EExtended strand (participates in β ladder)trans-122134.5-170.6-57.9-178.2162.4135.7-11.7110.9I579 K585 W586 R624 D626 M1044 D1046I579-R581 HydrophobicContact CG2-CG 3.86Å; R581-K585 WeakPolarHBondContact CA-O 3.45Å; R581-W586 HydrophobicContact CG-CB 3.9Å; R581-R624 HydrophobicContact CB-CB 4.42Å; R581-R624 PolarHBondContact N-O 3.42Å; R581-R624 PolarHBondContact O-N 3.24Å; R581-D626 IonicContact CZ-OD2 2.76Å; R581-D626 VanDerWaalsContact NH1-CG 3.25Å; R581-D626 IonicContact NH1-OD1 2.77Å; R581-D626 IonicContact NH1-OD2 3.72Å; R581-D626 PolarHBondContact NH1-OD2 3Å; R581-M1044 PolarHBondContact NH1-O 2.89Å; R581-D1046 IonicContact NH2-OD1 3.5Å; R581-D1046 PolarHBondContact NH2-OD1 3.05Å; R581-D1046 VanDerWaalsContact NH2-OD1 3.11Å
582F87.4Confident84.3Confident9 Ų949.9 Ų49.94%0.03924%0.24CC..EExtended strand (participates in β ladder)trans-156.4123.5175.7-178.4-93.5000111.2L541 G584 K585 M605 I607 D621 L623 L662L541-F582 HydrophobicContact CD2-CD2 4.39Å; L541-F582 HydrophobicContact CD2-CG 4.46Å; F582-G584 PolarHBondContact O-N 3.02Å; F582-K585 PolarHBondContact N-O 3.42Å; F582-K585 WeakPolarHBondContact O-CB 3.4Å; F582-K585 PolarHBondContact O-N 3.05Å; F582-K585 VanDerWaalsContact O-N 3.12Å; F582-M605 HydrophobicContact CB-CE 3.94Å; F582-I607 HydrophobicContact CD1-CB 4.26Å; F582-I607 HydrophobicContact CD1-CG2 3.57Å; F582-I607 HydrophobicContact CE1-CB 3.96Å; F582-I607 HydrophobicContact CE1-CD1 4.08Å; F582-I607 HydrophobicContact CE1-CG2 3.79Å; F582-I607 HydrophobicContact CG-CG2 4.47Å; F582-I607 HydrophobicContact CZ-CD1 4.24Å; F582-D621 HydrophobicContact CE2-CB 4.26Å; F582-D621 HydrophobicContact CZ-CB 4.45Å; F582-L623 HydrophobicContact CB-CD1 4.27Å; F582-L662 HydrophobicContact CE2-CD1 4.28Å; F582-L662 HydrophobicContact CE2-CD2 4.45Å; F582-L662 HydrophobicContact CZ-CD1 4.36Å; F582-L662 HydrophobicContact CZ-CD2 4.16Å
583R80.3Confident86Confident103 Ų10347.4 Ų47.439%0.38923%0.233SC..THydrogen-bonded Turntrans42.658.7-177.5-70.7-171.6179.1169.14.2113.5K585 R608 L609 D621R583-K585 PolarHBondContact O-N 3.07Å; R583-R608 PolarHBondContact NH1-O 3.24Å; R583-L609 PolarHBondContact NH1-O 3.29Å; R583-L609 VanDerWaalsContact NH1-O 3.15Å; R583-L609 PolarHBondContact NH2-O 2.93Å; R583-D621 WeakPolarHBondContact CD-OD1 3.46Å; R583-D621 WeakPolarHBondContact CG-OD1 3.38Å; R583-D621 IonicContact CZ-OD1 3.11Å; R583-D621 IonicContact CZ-OD2 2.66Å; R583-D621 VanDerWaalsContact CZ-OD2 3.28Å; R583-D621 IonicContact NE-OD1 3.51Å; R583-D621 PolarHBondContact NE-OD1 2.99Å; R583-D621 IonicContact NE-OD2 3.87Å; R583-D621 PolarHBondContact NE-OD2 3.47Å; R583-D621 VanDerWaalsContact NE-OD2 3.15Å; R583-D621 IonicContact NH2-OD1 3.75Å; R583-D621 IonicContact NH2-OD2 2.89Å; R583-D621 PolarHBondContact NH2-OD2 3.24Å
584G76.5Confident87.4Confident68 Ų6842.6 Ų42.670%0.70122%0.219SC*.THydrogen-bonded Turntrans71.5-23.2179.500000115.9F582F582-G584 PolarHBondContact O-N 3.02Å
585K81.6Confident88.2Confident129 Ų12943.1 Ų43.156%0.56122%0.224SC*.EExtended strand (participates in β ladder)trans-72.4145.6169.4-60.6-171-177.7-171.90110.2R581 F582 R583 M606R581-K585 WeakPolarHBondContact CA-O 3.45Å; F582-K585 PolarHBondContact N-O 3.42Å; F582-K585 WeakPolarHBondContact O-CB 3.4Å; F582-K585 PolarHBondContact O-N 3.05Å; F582-K585 VanDerWaalsContact O-N 3.12Å; R583-K585 PolarHBondContact O-N 3.07Å; K585-M606 PolarHBondContact NZ-O 2.98Å
586W89.9Confident88.3Confident140 Ų14042.2 Ų42.253%0.5322%0.222SC..EExtended strand (participates in β ladder)trans-139.8161.4167.669.9-89.1000111.9I579 V580 R581 Q588I579-W586 HydrophobicContact CG2-CB 4.15Å; I579-W586 HydrophobicContact CG2-CD2 4.25Å; I579-W586 HydrophobicContact CG2-CE3 3.77Å; I579-W586 HydrophobicContact CG2-CG 4.44Å; V580-W586 CarbonylContact O-C 3.6Å; V580-W586 WeakPolarHBondContact O-CA 3.44Å; R581-W586 HydrophobicContact CG-CB 3.9Å; W586-Q588 HydrophobicContact CZ3-CB 4.25Å; W586-Q588 HydrophobicContact CZ3-CG 4.39Å
587T90.9Very high88.2Confident51 Ų5142 Ų4231%0.31322%0.222SC..EExtended strand (participates in β ladder)trans-146.6171.3166.6-172.50000108.2V580 I603 M605V580-T587 HydrophobicContact CB-CG2 4.19Å; V580-T587 PolarHBondContact N-O 3.09Å; V580-T587 PolarHBondContact O-N 3.19Å; T587-I603 HydrophobicContact CG2-CG2 3.43Å; T587-I603 VanDerWaalsContact CG2-CG2 3.43Å; T587-M605 HydrophobicContact CG2-CG 3.89Å; T587-M605 HydrophobicContact CG2-SD 3.69Å
588Q92.7Very high88Confident62 Ų6246.7 Ų46.729%0.2925%0.246SC..EExtended strand (participates in β ladder)trans-123.2153.4179.861.9178.344.700111.9V577 F578 I579 W586V577-Q588 HydrophobicContact CG2-CB 4.01Å; F578-Q588 CarbonylContact O-C 3.54Å; F578-Q588 VanDerWaalsContact O-CA 3.29Å; F578-Q588 WeakPolarHBondContact O-CA 3.13Å; I579-Q588 HydrophobicContact CG1-CB 4.49Å; W586-Q588 HydrophobicContact CZ3-CB 4.25Å; W586-Q588 HydrophobicContact CZ3-CG 4.39Å
589S93.6Very high87.9Confident3 Ų347.6 Ų47.62%0.02125%0.249CC..  trans-67.4174.7162.776.60000110.4V577 F578 W599 Q601V577-S589 WeakPolarHBondContact CG2-O 3.36Å; F578-S589 PolarHBondContact N-OG 2.81Å; F578-S589 PolarHBondContact O-N 2.95Å; S589-W599 PolarHBondContact OG-NE1 2.77Å; S589-Q601 VanDerWaalsContact CB-OE1 3.27Å
590T92.1Very high87.8Confident10 Ų1052.7 Ų52.76%0.06128%0.276CS..  trans-79.6-175166.366.30000109.7N299 W599 Q601N299-T590 HydrophobicContact CB-CG2 3.71Å; N299-T590 WeakPolarHBondContact CB-OG1 3.14Å; N299-T590 VanDerWaalsContact CG-OG1 3.24Å; N299-T590 WeakPolarHBondContact ND2-CB 3.49Å; N299-T590 PolarHBondContact ND2-OG1 3.1Å; N299-T590 WeakPolarHBondContact O-CG2 3.45Å; T590-W599 PolarHBondContact O-NE1 3.38Å; T590-Q601 HydrophobicContact CG2-CG 4.46Å
591F91Very high87.7Confident60 Ų6053.3 Ų53.326%0.26328%0.279SS..  trans-94.3144.3-178.9-61.7-64.4000112.8N299 K575 Y576 V577 Q630N299-F591 PolarHBondContact ND2-O 3.11Å; K575-F591 HydrophobicContact CB-CB 3.92Å; K575-F591 HydrophobicContact CB-CD1 3.72Å; K575-F591 HydrophobicContact CB-CG 4Å; K575-F591 HydrophobicContact CD-CB 3.82Å; K575-F591 HydrophobicContact CD-CD1 4.44Å; K575-F591 HydrophobicContact CD-CD2 4.38Å; K575-F591 HydrophobicContact CD-CG 3.96Å; K575-F591 HydrophobicContact CG-CB 3.91Å; K575-F591 HydrophobicContact CG-CG 4.31Å; Y576-F591 WeakPolarHBondContact O-CA 3.3Å; V577-F591 HydrophobicContact CB-CD1 3.99Å; V577-F591 HydrophobicContact CB-CE1 3.93Å; V577-F591 HydrophobicContact CG1-CE1 4.28Å; V577-F591 HydrophobicContact CG2-CD1 4.49Å; V577-F591 HydrophobicContact CG2-CE1 4.24Å; F591-Q630 HydrophobicContact CE1-CB 4.3Å; F591-Q630 HydrophobicContact CE1-CG 4.48Å
592A89.5Confident87.7Confident8 Ų852.9 Ų52.97%0.06628%0.281CS..BIsolated β-bridgetrans-144.6152.4172.900000111.1Y576 P597 I598 W599Y576-A592 WeakPolarHBondContact CB-O 3.39Å; Y576-A592 WeakPolarHBondContact CD2-O 2.93Å; Y576-A592 PolarHBondContact N-O 3.31Å; Y576-A592 PolarHBondContact O-N 2.84Å; Y576-A592 VanDerWaalsContact O-N 3.14Å; A592-P597 HydrophobicContact CB-CB 3.83Å; A592-I598 VanDerWaalsContact CB-O 3.26Å; A592-I598 WeakPolarHBondContact CB-O 3.41Å; A592-W599 HydrophobicContact CB-CD2 3.78Å; A592-W599 HydrophobicContact CB-CE3 4.32Å; A592-W599 HydrophobicContact CB-CG 4.07Å; A592-W599 HydrophobicContact CB-CZ2 4.04Å
593D84.6Confident88Confident83 Ų8352.9 Ų52.944%0.44428%0.281SS..  trans-121163.7-170-65.1-24.5000113K575K575-D593 WeakPolarHBondContact CA-OD1 3.33Å; K575-D593 WeakPolarHBondContact CG-OD1 3.25Å
594G79.2Confident88.6Confident32 Ų3251 Ų5133%0.3328%0.284SS..SBendtrans87.9170.1176.400000115.2Y576 N596 P597Y576-G594 WeakPolarHBondContact CE2-O 3.41Å; G594-N596 PolarHBondContact O-N 3.33Å; G594-P597 WeakPolarHBondContact O-CD 3.18Å
595P77.4Confident89.2Confident39 Ų3948.5 Ų48.525%0.25326%0.255SS..SBendtrans-72.4-14.5-17630.3-36.4000114N550 V551 P597N550-P595 PolarHBondContact N-O 3.2Å; V551-P595 PolarHBondContact N-O 3.26Å; P595-P597 VanDerWaalsContact C-CD 3.47Å
596N85.1Confident89.4Confident42 Ų4246.7 Ų46.723%0.22525%0.249CC..SBendtrans-127.863.2176.7-64.4-66.9000109.8C548 N549 N550 G594C548-N596 CarbonylContact O-C 3.5Å; C548-N596 VanDerWaalsContact O-CA 3.25Å; C548-N596 WeakPolarHBondContact O-CA 3.35Å; N549-N596 VanDerWaalsContact CA-OD1 3.26Å; N549-N596 WeakPolarHBondContact CA-OD1 3.34Å; N549-N596 PolarHBondContact ND2-OD1 2.95Å; N550-N596 PolarHBondContact N-OD1 2.92Å; G594-N596 PolarHBondContact O-N 3.33Å
597P89.3Confident89Confident0 Ų040.3 Ų40.30%023%0.225CC..  trans-70142.9-167.427.1-31.7000112.6R547 C548 V551 Y576 A592 G594 P595 W599R547-P597 CarbonylContact C-O 3.25Å; R547-P597 VanDerWaalsContact CA-O 3.23Å; R547-P597 WeakPolarHBondContact CA-O 3.32Å; R547-P597 WeakPolarHBondContact CB-O 3.19Å; C548-P597 HydrophobicContact CB-CG 4.12Å; C548-P597 PolarHBondContact N-O 3.1Å; C548-P597 WeakPolarHBondContact O-CD 3.26Å; V551-P597 HydrophobicContact CG2-CG 3.82Å; Y576-P597 HydrophobicContact CD2-CB 4.08Å; Y576-P597 HydrophobicContact CD2-CG 3.99Å; Y576-P597 HydrophobicContact CG-CG 4.37Å; A592-P597 HydrophobicContact CB-CB 3.83Å; G594-P597 WeakPolarHBondContact O-CD 3.18Å; P595-P597 VanDerWaalsContact C-CD 3.47Å; P597-W599 HydrophobicContact CB-CH2 3.82Å; P597-W599 HydrophobicContact CB-CZ2 4.46Å; P597-W599 HydrophobicContact CB-CZ3 3.83Å; P597-W599 HydrophobicContact CG-CH2 3.52Å; P597-W599 HydrophobicContact CG-CZ3 3.64Å; P597-W599 WeakPolarHBondContact O-CZ3 3.18Å
598I91.4Very high88.2Confident98 Ų9843.5 Ų43.550%0.50323%0.232SC..EExtended strand (participates in β ladder)trans-119.9128.3-175.8-53.5179.5000109.2R547 A592 N600R547-I598 HydrophobicContact CB-CB 4.27Å; R547-I598 HydrophobicContact CB-CG1 3.88Å; R547-I598 HydrophobicContact CB-CG2 4.35Å; A592-I598 VanDerWaalsContact CB-O 3.26Å; A592-I598 WeakPolarHBondContact CB-O 3.41Å; I598-N600 WeakPolarHBondContact CG2-ND2 3.25Å
599W92.2Very high87Confident18 Ų1840.5 Ų40.57%0.06822%0.218CC..EExtended strand (participates in β ladder)trans-109.2-44.5177.3-72.1-94.8000112.3I545 N546 C548 F578 S589 T590 A592 P597 Q601 L627I545-W599 HydrophobicContact CG2-CB 4.24Å; I545-W599 HydrophobicContact CG2-CD2 4.1Å; I545-W599 HydrophobicContact CG2-CE3 3.97Å; I545-W599 HydrophobicContact CG2-CG 4.25Å; I545-W599 WeakPolarHBondContact O-CB 3.38Å; N546-W599 PolarHBondContact O-N 2.98Å; C548-W599 HydrophobicContact CB-CH2 4.26Å; C548-W599 HydrophobicContact CB-CZ3 3.77Å; F578-W599 HydrophobicContact CD2-CD2 4.44Å; F578-W599 HydrophobicContact CD2-CE3 4.41Å; F578-W599 AromaticContact CD2-CH2 3.81Å; F578-W599 HydrophobicContact CD2-CH2 3.81Å; F578-W599 AromaticContact CD2-CZ2 3.83Å; F578-W599 HydrophobicContact CD2-CZ2 3.83Å; F578-W599 HydrophobicContact CD2-CZ3 4.12Å; F578-W599 HydrophobicContact CE2-CE3 4.18Å; F578-W599 AromaticContact CE2-CH2 3.54Å; F578-W599 HydrophobicContact CE2-CH2 3.54Å; F578-W599 HydrophobicContact CE2-CZ2 4.07Å; F578-W599 AromaticContact CE2-CZ3 3.62Å; F578-W599 HydrophobicContact CE2-CZ3 3.62Å; S589-W599 PolarHBondContact OG-NE1 2.77Å; T590-W599 PolarHBondContact O-NE1 3.38Å; A592-W599 HydrophobicContact CB-CD2 3.78Å; A592-W599 HydrophobicContact CB-CE3 4.32Å; A592-W599 HydrophobicContact CB-CG 4.07Å; A592-W599 HydrophobicContact CB-CZ2 4.04Å; P597-W599 HydrophobicContact CB-CH2 3.82Å; P597-W599 HydrophobicContact CB-CZ2 4.46Å; P597-W599 HydrophobicContact CB-CZ3 3.83Å; P597-W599 HydrophobicContact CG-CH2 3.52Å; P597-W599 HydrophobicContact CG-CZ3 3.64Å; P597-W599 WeakPolarHBondContact O-CZ3 3.18Å; W599-Q601 HydrophobicContact CB-CB 4.27Å; W599-Q601 PolarHBondContact O-N 3.29Å; W599-Q601 VanDerWaalsContact O-N 3.12Å; W599-L627 HydrophobicContact CH2-CD1 4Å; W599-L627 HydrophobicContact CZ2-CD1 4.3Å
600N91.5Very high85.5Confident109 Ų10943.9 Ų43.958%0.58323%0.232SC*.EExtended strand (participates in β ladder)trans47.632.2-171.2-66.2-26.4000114.2I545 N546 I598I545-N600 WeakPolarHBondContact O-CA 3.04Å; I545-N600 PolarHBondContact O-N 2.7Å; I545-N600 VanDerWaalsContact O-N 3.08Å; N546-N600 PolarHBondContact O-N 2.73Å; N546-N600 PolarHBondContact O-OD1 3.48Å; I598-N600 WeakPolarHBondContact CG2-ND2 3.25Å
601Q92.4Very high83.4Confident12 Ų1246 Ų466%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-100.1147-175.7-171.6-161.4-2.500110.2D297 C300 G544 I545 S589 T590 W599D297-Q601 HydrophobicContact CB-CG 4.21Å; D297-Q601 WeakPolarHBondContact OD2-CG 3.12Å; C300-Q601 PolarHBondContact SG-NE2 2.68Å; C300-Q601 VanDerWaalsContact SG-NE2 3.39Å; G544-Q601 CarbonylContact C-O 3.53Å; G544-Q601 WeakPolarHBondContact CA-O 3.47Å; I545-Q601 PolarHBondContact N-O 3.02Å; I545-Q601 PolarHBondContact O-N 2.76Å; I545-Q601 VanDerWaalsContact O-N 3.13Å; S589-Q601 VanDerWaalsContact CB-OE1 3.27Å; T590-Q601 HydrophobicContact CG2-CG 4.46Å; W599-Q601 HydrophobicContact CB-CB 4.27Å; W599-Q601 PolarHBondContact O-N 3.29Å; W599-Q601 VanDerWaalsContact O-N 3.12Å
602T93.9Very high81Confident34 Ų3449.3 Ų49.321%0.20928%0.278CS..EExtended strand (participates in β ladder)trans-124.893.1170.2-48.60000112.8R295 D297 V543R295-T602 VanDerWaalsContact CZ-CB 3.48Å; R295-T602 PolarHBondContact NH1-O 3.47Å; D297-T602 PolarHBondContact OD2-N 3.1Å; V543-T602 CarbonylContact O-C 3.33Å; V543-T602 WeakPolarHBondContact O-CA 3.48Å
603I92.7Very high78.5Confident9 Ų951.4 Ų51.45%0.04630%0.295CS..EExtended strand (participates in β ladder)trans-56.1145.8172.5-64.4167.9000110.6L542 V543 I545 V580 T587 M605L542-I603 WeakPolarHBondContact CA-O 3.15Å; V543-I603 HydrophobicContact CB-CB 4.34Å; V543-I603 PolarHBondContact N-O 2.97Å; V543-I603 PolarHBondContact O-N 3.44Å; I545-I603 HydrophobicContact CD1-CD1 3.8Å; V580-I603 HydrophobicContact CG2-CD1 3.66Å; T587-I603 HydrophobicContact CG2-CG2 3.43Å; T587-I603 VanDerWaalsContact CG2-CG2 3.43Å; I603-M605 HydrophobicContact CG2-CG 4.14Å
604S92.3Very high76.3Confident63 Ų6352.9 Ų52.944%0.44130%0.3SS..EExtended strand (participates in β ladder)trans-128.1130.9174.8177.10000109.9L542L542-S604 WeakPolarHBondContact CD2-OG 3.44Å
605M89.2Confident74.3Confident17 Ų1760.9 Ų60.98%0.08433%0.331CS..EExtended strand (participates in β ladder)trans-126.9130178.2-59.4-164.1-59.400111.5R540 L541 V580 F582 T587 I603 I607 L623R540-M605 WeakPolarHBondContact CA-O 3.44Å; L541-M605 HydrophobicContact CD2-CE 3.83Å; L541-M605 HydrophobicContact CG-CE 4.3Å; L541-M605 PolarHBondContact N-O 3.15Å; L541-M605 PolarHBondContact O-N 3.4Å; V580-M605 HydrophobicContact CG1-CE 3.74Å; V580-M605 HydrophobicContact CG1-SD 3.99Å; F582-M605 HydrophobicContact CB-CE 3.94Å; T587-M605 HydrophobicContact CG2-CG 3.89Å; T587-M605 HydrophobicContact CG2-SD 3.69Å; I603-M605 HydrophobicContact CG2-CG 4.14Å; M605-I607 HydrophobicContact CB-CG2 4.41Å; M605-I607 PolarHBondContact O-N 2.9Å; M605-L623 HydrophobicContact CE-CD1 3.7Å
606M85.8Confident72.9Confident90 Ų9060 Ų6044%0.44333%0.329SS..EExtended strand (participates in β ladder)trans-80.5110.1172.5-70-62.4-67.900110.7Q538 R540 K585Q538-M606 HydrophobicContact CB-CE 4.04Å; R540-M606 HydrophobicContact CG-SD 3.59Å; R540-M606 VanDerWaalsContact CG-SD 3.59Å; K585-M606 PolarHBondContact NZ-O 2.98Å
607I81.7Confident71.6Confident7 Ų758.6 Ų58.64%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-117157.3179.466.3165000110.9F539 L541 F582 M605 L609F539-I607 HydrophobicContact CB-CG1 4.08Å; F539-I607 PolarHBondContact N-O 3.14Å; F539-I607 WeakPolarHBondContact O-CG1 3.45Å; F539-I607 PolarHBondContact O-N 3.21Å; F539-I607 VanDerWaalsContact O-O 3.12Å; L541-I607 HydrophobicContact CB-CD1 3.88Å; L541-I607 HydrophobicContact CB-CG1 4.19Å; L541-I607 HydrophobicContact CB-CG2 4.29Å; L541-I607 HydrophobicContact CD2-CD1 4.29Å; F582-I607 HydrophobicContact CD1-CB 4.26Å; F582-I607 HydrophobicContact CD1-CG2 3.57Å; F582-I607 HydrophobicContact CE1-CB 3.96Å; F582-I607 HydrophobicContact CE1-CD1 4.08Å; F582-I607 HydrophobicContact CE1-CG2 3.79Å; F582-I607 HydrophobicContact CG-CG2 4.47Å; F582-I607 HydrophobicContact CZ-CD1 4.24Å; M605-I607 HydrophobicContact CB-CG2 4.41Å; M605-I607 PolarHBondContact O-N 2.9Å; I607-L609 HydrophobicContact CD1-CD2 3.68Å; I607-L609 HydrophobicContact CD1-CG 4.45Å
608R74.6Confident70Confident117 Ų11763.3 Ų63.344%0.44234%0.341SS..EExtended strand (participates in β ladder)trans-113.4126.7163.7-73.7178.5175160.3-0.9106.6Q538 R583Q538-R608 HydrophobicContact CG-CG 4.02Å; R583-R608 PolarHBondContact NH1-O 3.24Å
609L68.2Low68.1Low0 Ų059.4 Ų59.40%032%0.323CS..  trans-77.6-53.9179.3-65.6176.2000110.1F539 R583 I607 L662 I666 I709 P713F539-L609 HydrophobicContact CD1-CD1 3.99Å; F539-L609 HydrophobicContact CD2-CB 4.13Å; F539-L609 HydrophobicContact CD2-CD1 3.67Å; F539-L609 HydrophobicContact CD2-CG 3.62Å; F539-L609 HydrophobicContact CE1-CD1 4.02Å; F539-L609 HydrophobicContact CE2-CB 4.1Å; F539-L609 HydrophobicContact CE2-CD1 3.71Å; F539-L609 HydrophobicContact CE2-CG 3.95Å; F539-L609 HydrophobicContact CG-CD1 3.83Å; F539-L609 HydrophobicContact CG-CG 4.04Å; F539-L609 HydrophobicContact CZ-CD1 3.89Å; R583-L609 PolarHBondContact NH1-O 3.29Å; R583-L609 VanDerWaalsContact NH1-O 3.15Å; R583-L609 PolarHBondContact NH2-O 2.93Å; I607-L609 HydrophobicContact CD1-CD2 3.68Å; I607-L609 HydrophobicContact CD1-CG 4.45Å; L609-L662 HydrophobicContact CD2-CD1 3.76Å; L609-L662 HydrophobicContact CD2-CD2 3.94Å; L609-L662 HydrophobicContact CD2-CG 4.35Å; L609-I666 HydrophobicContact CD1-CD1 4.4Å; L609-I709 HydrophobicContact CD2-CD1 4.37Å; L609-P713 HydrophobicContact CD1-CB 3.69Å; L609-P713 HydrophobicContact CD1-CG 3.73Å
610F62Low66.6Low73 Ų7360 Ų6032%0.3233%0.331SS..SBendtrans-87.8149.5-177.5-45.1-68.8000111.7F539 F617F539-F610 HydrophobicContact CE2-CD2 4.22Å; F539-F610 AromaticContact CE2-CE2 3.92Å; F539-F610 HydrophobicContact CE2-CE2 3.92Å; F539-F610 AromaticContact CZ-CE2 3.97Å; F539-F610 HydrophobicContact CZ-CE2 3.97Å; F610-F617 HydrophobicContact CE1-CD1 4.14Å
611S48.5Very low65.8Low55 Ų5555.8 Ų55.839%0.38531%0.308SS..BIsolated β-bridgetrans-99.7146.8168.8-177.60000109.7A613 Q614S611-A613 PolarHBondContact O-N 3.4Å; S611-Q614 PolarHBondContact O-N 3.39Å; S611-Q614 VanDerWaalsContact O-N 3.08Å
612S40.1Very low65.4Low129 Ų12956.5 Ų56.590%0.90231%0.314SS*.THydrogen-bonded Turntrans-64.2-11.7-179.948.10000114.3
613A36.3Very low65.3Low52 Ų5254.9 Ų54.943%0.4330%0.304SS..THydrogen-bonded Turntrans-104.3-5.4175.500000114.5T433 S611T433-A613 HydrophobicContact CG2-CB 3.88Å; S611-A613 PolarHBondContact O-N 3.4Å
614Q38Very low65.3Low115 Ų11555.8 Ų55.854%0.53731%0.307SS..BIsolated β-bridgetrans-140.7122.2-173.8-71-179.9-20.100112S611 G616S611-Q614 PolarHBondContact O-N 3.39Å; S611-Q614 VanDerWaalsContact O-N 3.08Å; Q614-G616 PolarHBondContact O-N 3.37Å
615M38.9Very low65.5Low200 Ų20052.8 Ų52.899%0.98529%0.286SS*.SBendtrans-74.855.2176.2-76.4-84.9-172.700112.1
616G47.6Very low65.8Low20 Ų2052 Ų5221%0.20628%0.282CS..SBendtrans-178.7176.2-178.500000113Q614Q614-G616 PolarHBondContact O-N 3.37Å
617F56.3Low66.2Low12 Ų1247.7 Ų47.75%0.05326%0.261CS..  trans-113.2155164.153.8-90000108.4F610 L662 I666 I715 V806F610-F617 HydrophobicContact CE1-CD1 4.14Å; F617-L662 HydrophobicContact CB-CD2 4Å; F617-L662 HydrophobicContact CD2-CD2 3.76Å; F617-L662 HydrophobicContact CD2-CG 4.16Å; F617-L662 HydrophobicContact CE2-CG 4.46Å; F617-L662 HydrophobicContact CG-CD2 4.01Å; F617-I666 HydrophobicContact CD1-CD1 4.2Å; F617-I666 HydrophobicContact CE1-CD1 3.73Å; F617-I666 HydrophobicContact CE2-CD1 4.11Å; F617-I666 HydrophobicContact CZ-CD1 3.68Å; F617-I715 HydrophobicContact CE1-CD1 4.14Å; F617-I715 HydrophobicContact CZ-CD1 4.34Å; F617-V806 HydrophobicContact CE2-CB 4.03Å; F617-V806 HydrophobicContact CE2-CG1 3.8Å; F617-V806 HydrophobicContact CZ-CB 4.34Å; F617-V806 HydrophobicContact CZ-CG1 3.66Å
618K57.2Low66.8Low99 Ų9947.4 Ų47.443%0.4326%0.259SS..  trans-71.9136.7171.7-90.4-167.1160.2-132.90108.7S620 D621 D803K618-S620 VanDerWaalsContact C-N 3.29Å; K618-D621 WeakPolarHBondContact CB-OD2 3.5Å; K618-D621 PolarHBondContact N-OD2 2.79Å; K618-D621 VanDerWaalsContact O-CB 3.3Å; K618-D621 WeakPolarHBondContact O-CB 3.4Å; K618-D621 PolarHBondContact O-N 2.93Å; K618-D621 VanDerWaalsContact O-OD2 3.06Å; K618-D803 VanDerWaalsContact NZ-CG 3.3Å; K618-D803 IonicContact NZ-OD1 3.67Å; K618-D803 PolarHBondContact NZ-OD1 3.49Å; K618-D803 IonicContact NZ-OD2 3.51Å; K618-D803 PolarHBondContact NZ-OD2 2.68Å
619A51.5Low67.6Low16 Ų1641.8 Ų41.813%0.13224%0.238CC..THydrogen-bonded Turntrans-72.1-28.117600000112.6D621 V804 V806A619-D621 PolarHBondContact O-N 2.87Å; A619-V804 WeakPolarHBondContact CB-O 3.48Å; A619-V806 HydrophobicContact CB-CB 3.98Å; A619-V806 HydrophobicContact CB-CG2 3.45Å; A619-V806 VanDerWaalsContact CB-CG2 3.45Å
620S59.5Low68.6Low32 Ų3242.2 Ų42.222%0.22424%0.24CC..THydrogen-bonded Turntrans-61.8-16.517240.80000113.5K618 S622 N802 D803K618-S620 VanDerWaalsContact C-N 3.29Å; S620-S622 PolarHBondContact O-N 3.34Å; S620-N802 WeakPolarHBondContact CA-O 3.42Å; S620-N802 WeakPolarHBondContact CB-O 3.39Å; S620-N802 PolarHBondContact N-O 3.04Å; S620-N802 VanDerWaalsContact N-O 3.11Å; S620-D803 WeakPolarHBondContact CB-OD1 3.46Å; S620-D803 PolarHBondContact OG-OD1 3Å
621D75.2Confident69.5Low19 Ų1939.5 Ų39.510%0.10223%0.229CC..  trans-58.3122.2170.3-75.7-57.2000110.4F582 R583 K618 A619 L662F582-D621 HydrophobicContact CE2-CB 4.26Å; F582-D621 HydrophobicContact CZ-CB 4.45Å; R583-D621 WeakPolarHBondContact CD-OD1 3.46Å; R583-D621 WeakPolarHBondContact CG-OD1 3.38Å; R583-D621 IonicContact CZ-OD1 3.11Å; R583-D621 IonicContact CZ-OD2 2.66Å; R583-D621 VanDerWaalsContact CZ-OD2 3.28Å; R583-D621 IonicContact NE-OD1 3.51Å; R583-D621 PolarHBondContact NE-OD1 2.99Å; R583-D621 IonicContact NE-OD2 3.87Å; R583-D621 PolarHBondContact NE-OD2 3.47Å; R583-D621 VanDerWaalsContact NE-OD2 3.15Å; R583-D621 IonicContact NH2-OD1 3.75Å; R583-D621 IonicContact NH2-OD2 2.89Å; R583-D621 PolarHBondContact NH2-OD2 3.24Å; K618-D621 WeakPolarHBondContact CB-OD2 3.5Å; K618-D621 PolarHBondContact N-OD2 2.79Å; K618-D621 VanDerWaalsContact O-CB 3.3Å; K618-D621 WeakPolarHBondContact O-CB 3.4Å; K618-D621 PolarHBondContact O-N 2.93Å; K618-D621 VanDerWaalsContact O-OD2 3.06Å; A619-D621 PolarHBondContact O-N 2.87Å; D621-L662 HydrophobicContact CB-CB 3.85Å; D621-L662 HydrophobicContact CB-CD2 3.67Å; D621-L662 HydrophobicContact CB-CG 4.43Å; D621-L662 WeakPolarHBondContact O-CB 3.29Å; D621-L662 PolarHBondContact O-N 3.34Å
622S85.2Confident70.9Confident28 Ų2839.6 Ų39.620%0.19623%0.229CC..EExtended strand (participates in β ladder)trans-134.7144.2177.555.50000111.2S620 K659 I660S620-S622 PolarHBondContact O-N 3.34Å; S622-K659 WeakPolarHBondContact OG-CE 3.23Å; S622-I660 CarbonylContact C-O 3.59Å; S622-I660 WeakPolarHBondContact CA-O 3.28Å; S622-I660 WeakPolarHBondContact CB-O 3.36Å
623L91.7Very high72.5Confident0 Ų035.8 Ų35.80%020%0.201CC..EExtended strand (participates in β ladder)trans-81.3121.2163.6-179.964.1000107.6L541 V543 V580 F582 M605 L625 I660 I665 I707L541-L623 HydrophobicContact CD2-CD1 3.9Å; L541-L623 HydrophobicContact CD2-CD2 4.25Å; L541-L623 HydrophobicContact CD2-CG 4.48Å; V543-L623 HydrophobicContact CG2-CD1 4.47Å; V543-L623 HydrophobicContact CG2-CD2 3.74Å; V580-L623 HydrophobicContact CG1-CD1 3.55Å; F582-L623 HydrophobicContact CB-CD1 4.27Å; M605-L623 HydrophobicContact CE-CD1 3.7Å; L623-L625 HydrophobicContact CD2-CD1 4Å; L623-L625 HydrophobicContact CG-CD1 3.86Å; L623-I660 PolarHBondContact N-O 2.86Å; L623-I660 PolarHBondContact O-N 3.47Å; L623-I665 HydrophobicContact CB-CD1 3.95Å; L623-I665 HydrophobicContact CD2-CD1 4.24Å; L623-I707 HydrophobicContact CD2-CD1 3.97Å; L623-I707 HydrophobicContact CD2-CG1 4.25Å; L623-I707 HydrophobicContact CD2-CG2 3.92Å
624R92.6Very high74.2Confident28 Ų2838.5 Ų38.511%0.10620%0.204CC..EExtended strand (participates in β ladder)trans-110131.8173.9-176.9174.2168149.4-0.4109.4R581 D626 Y657 V658 M1044R581-R624 HydrophobicContact CB-CB 4.42Å; R581-R624 PolarHBondContact N-O 3.42Å; R581-R624 PolarHBondContact O-N 3.24Å; R624-D626 WeakPolarHBondContact CD-OD2 3.19Å; R624-D626 WeakPolarHBondContact CG-OD2 3.42Å; R624-D626 IonicContact CZ-OD1 2.65Å; R624-D626 VanDerWaalsContact CZ-OD1 3.27Å; R624-D626 IonicContact CZ-OD2 3.15Å; R624-D626 VanDerWaalsContact NE-CG 3.29Å; R624-D626 IonicContact NE-OD1 2.65Å; R624-D626 PolarHBondContact NE-OD1 3.24Å; R624-D626 IonicContact NE-OD2 3.91Å; R624-D626 PolarHBondContact NE-OD2 2.87Å; R624-D626 IonicContact NH2-OD1 3.83Å; R624-D626 PolarHBondContact NH2-OD1 3.43Å; R624-D626 IonicContact NH2-OD2 3.79Å; R624-Y657 HydrophobicContact CG-CD2 4.19Å; R624-V658 WeakPolarHBondContact CA-O 3.39Å; R624-M1044 PolarHBondContact NH1-SD 3.19Å
625L95.4Very high75.8Confident0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-117.1111.3171.3-6386.5000108V543 I545 F578 I579 V580 L623 Y657 V658 L705V543-L625 HydrophobicContact CG1-CD2 3.76Å; I545-L625 HydrophobicContact CD1-CD2 4.17Å; I545-L625 HydrophobicContact CG1-CD2 4.33Å; F578-L625 HydrophobicContact CD1-CB 4.1Å; I579-L625 WeakPolarHBondContact O-CA 3.34Å; V580-L625 HydrophobicContact CG1-CG 4.45Å; V580-L625 HydrophobicContact CG2-CD2 4.18Å; V580-L625 HydrophobicContact CG2-CG 4.16Å; L623-L625 HydrophobicContact CD2-CD1 4Å; L623-L625 HydrophobicContact CG-CD1 3.86Å; L625-Y657 CarbonylContact O-C 3.5Å; L625-Y657 WeakPolarHBondContact O-CA 3.18Å; L625-Y657 WeakPolarHBondContact O-CB 3.33Å; L625-V658 HydrophobicContact CB-CG1 3.95Å; L625-V658 HydrophobicContact CD1-CG1 4.05Å; L625-V658 PolarHBondContact N-O 3.43Å; L625-V658 PolarHBondContact O-N 2.89Å; L625-L705 HydrophobicContact CD2-CD1 4.07Å; L625-L705 HydrophobicContact CD2-CD2 4.13Å
626D95Very high77.5Confident0 Ų029.3 Ų29.30%017%0.166CC..EExtended strand (participates in β ladder)trans-99.4129.3177.3-70.2-78.6000110.3F578 I579 R581 R624 F628 W654 Y657F578-D626 CarbonylContact C-O 3.57Å; F578-D626 VanDerWaalsContact CA-O 3.27Å; F578-D626 WeakPolarHBondContact CA-O 3.44Å; I579-D626 PolarHBondContact N-O 3.32Å; I579-D626 PolarHBondContact O-N 3.28Å; R581-D626 IonicContact CZ-OD2 2.76Å; R581-D626 VanDerWaalsContact NH1-CG 3.25Å; R581-D626 IonicContact NH1-OD1 2.77Å; R581-D626 IonicContact NH1-OD2 3.72Å; R581-D626 PolarHBondContact NH1-OD2 3Å; R624-D626 WeakPolarHBondContact CD-OD2 3.19Å; R624-D626 WeakPolarHBondContact CG-OD2 3.42Å; R624-D626 IonicContact CZ-OD1 2.65Å; R624-D626 VanDerWaalsContact CZ-OD1 3.27Å; R624-D626 IonicContact CZ-OD2 3.15Å; R624-D626 VanDerWaalsContact NE-CG 3.29Å; R624-D626 IonicContact NE-OD1 2.65Å; R624-D626 PolarHBondContact NE-OD1 3.24Å; R624-D626 IonicContact NE-OD2 3.91Å; R624-D626 PolarHBondContact NE-OD2 2.87Å; R624-D626 IonicContact NH2-OD1 3.83Å; R624-D626 PolarHBondContact NH2-OD1 3.43Å; R624-D626 IonicContact NH2-OD2 3.79Å; D626-F628 HydrophobicContact CB-CD2 4.24Å; D626-F628 HydrophobicContact CB-CE2 3.48Å; D626-F628 VanDerWaalsContact CB-CE2 3.48Å; D626-F628 HydrophobicContact CB-CZ 4.13Å; D626-W654 PolarHBondContact OD1-NE1 3.33Å; D626-Y657 VanDerWaalsContact OD1-CB 3.24Å; D626-Y657 WeakPolarHBondContact OD1-CB 3.34Å
627L95.5Very high78.3Confident0 Ų034.4 Ų34.40%018%0.183CC..EExtended strand (participates in β ladder)trans-93.9131.7176179.363000110.5V551 F578 W599 L655 G656 L677V551-L627 HydrophobicContact CG1-CD2 4.05Å; V551-L627 HydrophobicContact CG2-CD2 4.07Å; F578-L627 HydrophobicContact CD1-CB 4.1Å; F578-L627 HydrophobicContact CD1-CD1 4.38Å; F578-L627 HydrophobicContact CD2-CD1 4.06Å; F578-L627 HydrophobicContact CE1-CB 3.8Å; F578-L627 HydrophobicContact CE1-CD1 4.23Å; F578-L627 HydrophobicContact CE1-CG 4.48Å; F578-L627 HydrophobicContact CE2-CD1 3.9Å; F578-L627 HydrophobicContact CG-CD1 4.31Å; F578-L627 HydrophobicContact CZ-CB 4.25Å; F578-L627 HydrophobicContact CZ-CD1 3.98Å; F578-L627 HydrophobicContact CZ-CD2 4.47Å; F578-L627 HydrophobicContact CZ-CG 4.46Å; W599-L627 HydrophobicContact CH2-CD1 4Å; W599-L627 HydrophobicContact CZ2-CD1 4.3Å; L627-L655 HydrophobicContact CD2-CB 4.45Å; L627-L655 HydrophobicContact CD2-CD1 4.42Å; L627-L655 HydrophobicContact CG-CB 4.35Å; L627-L655 HydrophobicContact CG-CD1 4.32Å; L627-L655 PolarHBondContact O-N 2.99Å; L627-G656 PolarHBondContact N-O 2.83Å; L627-L677 HydrophobicContact CB-CD2 3.82Å; L627-L677 HydrophobicContact CD2-CD2 3.74Å; L627-L677 HydrophobicContact CG-CD2 4.43Å
628F94Very high78.8Confident0 Ų041.1 Ų41.10%022%0.219CC..EExtended strand (participates in β ladder)trans-127144.2177.1-64.5-95.3000111.9Y576 V577 I579 D626 R652 R653 W654 D1046Y576-F628 WeakPolarHBondContact CA-O 3.11Å; V577-F628 HydrophobicContact CG1-CB 4.04Å; V577-F628 PolarHBondContact N-O 2.92Å; V577-F628 PolarHBondContact O-N 3.28Å; I579-F628 HydrophobicContact CB-CD2 4.41Å; I579-F628 HydrophobicContact CB-CE2 3.99Å; I579-F628 HydrophobicContact CD1-CD2 3.87Å; I579-F628 HydrophobicContact CD1-CE2 3.52Å; I579-F628 HydrophobicContact CD1-CZ 4.14Å; I579-F628 HydrophobicContact CG1-CD2 3.82Å; I579-F628 HydrophobicContact CG1-CE2 3.71Å; D626-F628 HydrophobicContact CB-CD2 4.24Å; D626-F628 HydrophobicContact CB-CE2 3.48Å; D626-F628 VanDerWaalsContact CB-CE2 3.48Å; D626-F628 HydrophobicContact CB-CZ 4.13Å; F628-R652 HydrophobicContact CB-CB 4.35Å; F628-R652 HydrophobicContact CD1-CB 3.64Å; F628-R652 HydrophobicContact CE1-CB 4.2Å; F628-R652 HydrophobicContact CG-CB 4.21Å; F628-R653 WeakPolarHBondContact CA-O 3.18Å; F628-W654 HydrophobicContact CD1-CB 3.93Å; F628-W654 HydrophobicContact CE1-CB 3.68Å; F628-W654 AromaticContact CE1-CD1 3.86Å; F628-W654 HydrophobicContact CE1-CG 4.15Å; F628-W654 HydrophobicContact CZ-CB 4.46Å; F628-W654 AromaticContact CZ-CD1 3.8Å; F628-W654 HydrophobicContact CZ-CG 4.48Å; F628-D1046 HydrophobicContact CE1-CB 3.97Å
629E91.1Very high79.1Confident0 Ų042.6 Ų42.60%023%0.231CC..EExtended strand (participates in β ladder)trans-78.7122.9149.9176-169.7-7700107.6R554 I574 Y576 R652 R653 L655 Y686R554-E629 VanDerWaalsContact CD-OE1 3.29Å; R554-E629 WeakPolarHBondContact CD-OE1 3.22Å; R554-E629 WeakPolarHBondContact CG-OE1 3.48Å; R554-E629 IonicContact NH1-OE2 3.39Å; R554-E629 PolarHBondContact NH1-OE2 3.2Å; I574-E629 VanDerWaalsContact CG2-CD 3.47Å; I574-E629 HydrophobicContact CG2-CG 3.33Å; Y576-E629 HydrophobicContact CD1-CB 4.35Å; Y576-E629 HydrophobicContact CE1-CB 4.26Å; E629-R652 CarbonylContact O-C 3.57Å; E629-R652 WeakPolarHBondContact O-CA 3.48Å; E629-R653 HydrophobicContact CB-CB 4.17Å; E629-R653 PolarHBondContact N-O 2.63Å; E629-R653 PolarHBondContact O-N 2.94Å; E629-R653 WeakPolarHBondContact OE2-CD 3.48Å; E629-R653 IonicContact OE2-CZ 3.07Å; E629-R653 IonicContact OE2-NE 3.97Å; E629-R653 IonicContact OE2-NH1 2.95Å; E629-R653 PolarHBondContact OE2-NH1 3.04Å; E629-L655 HydrophobicContact CB-CD1 4.24Å; E629-Y686 PolarHBondContact OE1-OH 3.35Å; E629-Y686 PolarHBondContact OE2-OH 2.83Å; E629-Y686 VanDerWaalsContact OE2-OH 3.06Å
630Q88.8Confident79.7Confident8 Ų843.6 Ų43.64%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-108.6130.3173.3-174.4170.2-54.700110.7K575 V577 F591 S632 I650 E651 R652K575-Q630 PolarHBondContact N-O 2.96Å; K575-Q630 PolarHBondContact O-N 3.17Å; V577-Q630 HydrophobicContact CG1-CB 3.99Å; F591-Q630 HydrophobicContact CE1-CB 4.3Å; F591-Q630 HydrophobicContact CE1-CG 4.48Å; Q630-S632 PolarHBondContact NE2-OG 3.35Å; Q630-S632 VanDerWaalsContact NE2-OG 3.15Å; Q630-I650 VanDerWaalsContact CD-CG2 3.49Å; Q630-I650 HydrophobicContact CG-CG2 3.87Å; Q630-E651 WeakPolarHBondContact CA-O 3.47Å; Q630-R652 HydrophobicContact CB-CG 4.44Å; Q630-R652 HydrophobicContact CG-CG 4.15Å
631E81.5Confident79.6Confident16 Ų1650.4 Ų50.48%0.07526%0.257CS..EExtended strand (participates in β ladder)trans-108.1143.1165.8-167.1171.4164.700108K572 E651 R653 K1022K572-E631 WeakPolarHBondContact CD-OE1 3.37Å; K572-E631 WeakPolarHBondContact CE-OE1 3.48Å; K572-E631 IonicContact NZ-OE1 3.05Å; K572-E631 PolarHBondContact NZ-OE1 2.93Å; E631-E651 HydrophobicContact CB-CB 4.48Å; E631-E651 PolarHBondContact N-O 3.16Å; E631-E651 PolarHBondContact O-N 3.05Å; E631-R653 IonicContact OE2-CZ 3.29Å; E631-R653 VanDerWaalsContact OE2-CZ 3.24Å; E631-R653 IonicContact OE2-NH1 3.09Å; E631-R653 PolarHBondContact OE2-NH1 2.97Å; E631-R653 IonicContact OE2-NH2 2.94Å; E631-R653 PolarHBondContact OE2-NH2 3.32Å; E631-K1022 IonicContact OE2-NZ 2.73Å
632S76.9Confident78.8Confident57 Ų5752.4 Ų52.440%0.39927%0.268SS..EExtended strand (participates in β ladder)trans-140.2121179.6-60.20000109.1Q630 K649Q630-S632 PolarHBondContact NE2-OG 3.35Å; Q630-S632 VanDerWaalsContact NE2-OG 3.15Å; S632-K649 WeakPolarHBondContact CA-O 3.47Å
633T73.8Confident77.7Confident49 Ų4957 Ų5730%0.30129%0.29SS..EExtended strand (participates in β ladder)trans-118.9124.6-17750.50000109.3I635 H648 K649T633-I635 PolarHBondContact O-N 3.49Å; T633-H648 CarbonylContact O-C 3.54Å; T633-H648 WeakPolarHBondContact O-CA 3.26Å; T633-K649 PolarHBondContact N-O 2.77Å; T633-K649 PolarHBondContact O-N 3.02Å
634E71.9Confident76.4Confident109 Ų10965.2 Ų65.251%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-58.5130.3170.7-174178.3175.800109.5R640 V646E634-R640 IonicContact OE1-CZ 3.37Å; E634-R640 IonicContact OE1-NH1 2.68Å; E634-R640 IonicContact OE1-NH2 3.45Å; E634-R640 PolarHBondContact OE1-NH2 3.07Å; E634-V646 HydrophobicContact CG-CG1 3.86Å
635I73.2Confident74.7Confident53 Ų5367 Ų6727%0.27234%0.342SS..PPolyproline II helixtrans-76.7126.7175.2-64172.1000107T633 L639 R640 C647 K649T633-I635 PolarHBondContact O-N 3.49Å; I635-L639 HydrophobicContact CG2-CB 3.88Å; I635-R640 HydrophobicContact CG2-CG 4.26Å; I635-R640 VanDerWaalsContact O-CZ 3.24Å; I635-R640 PolarHBondContact O-NE 2.95Å; I635-R640 PolarHBondContact O-NH2 3.33Å; I635-C647 HydrophobicContact CB-CB 4.41Å; I635-C647 WeakPolarHBondContact CB-O 3.25Å; I635-C647 HydrophobicContact CD1-CB 4Å; I635-C647 PolarHBondContact N-O 2.89Å; I635-K649 HydrophobicContact CD1-CB 4.38Å; I635-K649 HydrophobicContact CG1-CB 4.19Å
636P73.9Confident73.3Confident69 Ų6971 Ų7145%0.44837%0.366SS..PPolyproline II helixtrans-50144.3176.3-28.535.3000112.2D638 L639P636-D638 PolarHBondContact O-N 2.84Å; P636-L639 HydrophobicContact CB-CD1 4.44Å; P636-L639 HydrophobicContact CG-CD1 4.26Å; P636-L639 PolarHBondContact O-N 3.15Å
637K65Low71.8Confident127 Ų12773.4 Ų73.455%0.55238%0.383SS*.G310 helixtrans-53.3-44.9-177.6-70.8-172.1174-168.70111.8L639 R640K637-L639 PolarHBondContact O-N 3.15Å; K637-R640 WeakPolarHBondContact O-CB 3.31Å; K637-R640 PolarHBondContact O-N 3.27Å
638D66.9Low70.6Confident153 Ų15378.2 Ų78.282%0.81841%0.405SS*.G310 helixtrans-59.3-8.2179.2-17.7-44.5000114.5P636P636-D638 PolarHBondContact O-N 2.84Å
639L63.7Low69.7Low131 Ų13180.1 Ų80.169%0.68641%0.413SS*.G310 helixtrans-116.77.1176.3-65.5173.8000113.1I635 P636 K637I635-L639 HydrophobicContact CG2-CB 3.88Å; P636-L639 HydrophobicContact CB-CD1 4.44Å; P636-L639 HydrophobicContact CG-CD1 4.26Å; P636-L639 PolarHBondContact O-N 3.15Å; K637-L639 PolarHBondContact O-N 3.15Å
640R63.5Low69.1Low36 Ų3683.8 Ų83.814%0.13643%0.432CS..  trans-95.4151.2174-54.7178.7-161.216710.5110E634 I635 K637 D642 T645E634-R640 IonicContact OE1-CZ 3.37Å; E634-R640 IonicContact OE1-NH1 2.68Å; E634-R640 IonicContact OE1-NH2 3.45Å; E634-R640 PolarHBondContact OE1-NH2 3.07Å; I635-R640 HydrophobicContact CG2-CG 4.26Å; I635-R640 VanDerWaalsContact O-CZ 3.24Å; I635-R640 PolarHBondContact O-NE 2.95Å; I635-R640 PolarHBondContact O-NH2 3.33Å; K637-R640 WeakPolarHBondContact O-CB 3.31Å; K637-R640 PolarHBondContact O-N 3.27Å; R640-D642 VanDerWaalsContact C-N 3.25Å; R640-D642 WeakPolarHBondContact CB-O 3.3Å; R640-T645 WeakPolarHBondContact CD-O 3.1Å; R640-T645 PolarHBondContact NH1-O 2.73Å
641K56.9Low68.8Low176 Ų17684.8 Ų84.877%0.76544%0.437SS*.SBendtrans-90.316.1168.3-64.7-176162.7-1130113E410E410-K641 IonicContact OE2-NZ 2.69Å; E410-K641 PolarHBondContact OE2-NZ 3.26Å
642D58.9Low69.2Low61 Ų6185.8 Ų85.833%0.32644%0.44SS..  trans-160.6123.4-175.1173.922.2000109.6R640 H644 T645R640-D642 VanDerWaalsContact C-N 3.25Å; R640-D642 WeakPolarHBondContact CB-O 3.3Å; D642-H644 VanDerWaalsContact C-N 3.26Å; D642-H644 PolarHBondContact O-N 3.04Å; D642-H644 WeakPolarHBondContact OD1-CB 3.23Å; D642-H644 IonicContact OD1-CG 3.51Å; D642-H644 PolarHBondContact OD1-N 3.09Å; D642-T645 VanDerWaalsContact OD2-CB 3.3Å; D642-T645 WeakPolarHBondContact OD2-CB 3.42Å; D642-T645 WeakPolarHBondContact OD2-CG2 3.48Å; D642-T645 PolarHBondContact OD2-N 3.2Å; D642-T645 PolarHBondContact OD2-OG1 2.99Å
643D61.6Low69.8Low125 Ų12583.2 Ų83.267%0.66842%0.421SS*.SBendtrans-72.5-17.3176.9-84.2-45000113.4
644H65.1Low70.7Confident172 Ų17281 Ų8180%0.79641%0.408SS*.SBendtrans-102.1-10.2-166.9-57.8-26.8000114.3D642D642-H644 VanDerWaalsContact C-N 3.26Å; D642-H644 PolarHBondContact O-N 3.04Å; D642-H644 WeakPolarHBondContact OD1-CB 3.23Å; D642-H644 IonicContact OD1-CG 3.51Å; D642-H644 PolarHBondContact OD1-N 3.09Å
645T57.2Low71.7Confident64 Ų6475.9 Ų75.939%0.39338%0.384SS..  trans-109.1145176.149.20000113.1R640 D642 C647R640-T645 WeakPolarHBondContact CD-O 3.1Å; R640-T645 PolarHBondContact NH1-O 2.73Å; D642-T645 VanDerWaalsContact OD2-CB 3.3Å; D642-T645 WeakPolarHBondContact OD2-CB 3.42Å; D642-T645 WeakPolarHBondContact OD2-CG2 3.48Å; D642-T645 PolarHBondContact OD2-N 3.2Å; D642-T645 PolarHBondContact OD2-OG1 2.99Å; T645-C647 PolarHBondContact O-N 3.21Å
646V64.3Low72.6Confident84 Ų8473.4 Ų73.451%0.50937%0.371SS..  trans-98.278.2176.7-170.70000109.7E634 H648E634-V646 HydrophobicContact CG-CG1 3.86Å; V646-H648 PolarHBondContact O-N 3.31Å; V646-H648 PolarHBondContact O-ND1 2.77Å
647C65.2Low73.6Confident51 Ų5173.2 Ų73.235%0.34536%0.362SS..  trans-67.6130179.6-61.30000111.2I635 T645I635-C647 HydrophobicContact CB-CB 4.41Å; I635-C647 WeakPolarHBondContact CB-O 3.25Å; I635-C647 HydrophobicContact CD1-CB 4Å; I635-C647 PolarHBondContact N-O 2.89Å; T645-C647 PolarHBondContact O-N 3.21Å
648H69.5Low75Confident101 Ų10167.5 Ų67.547%0.46834%0.338SS..EExtended strand (participates in β ladder)trans-115.2129.7176.4-72.376.1000110T633 V646T633-H648 CarbonylContact O-C 3.54Å; T633-H648 WeakPolarHBondContact O-CA 3.26Å; V646-H648 PolarHBondContact O-N 3.31Å; V646-H648 PolarHBondContact O-ND1 2.77Å
649K74.5Confident76.1Confident41 Ų4164.6 Ų64.618%0.17832%0.317CS..EExtended strand (participates in β ladder)trans-75.6123.5164.3-171.8-162.4-175.9-159.70107.8S632 T633 I635 E651 T1051S632-K649 WeakPolarHBondContact CA-O 3.47Å; T633-K649 PolarHBondContact N-O 2.77Å; T633-K649 PolarHBondContact O-N 3.02Å; I635-K649 HydrophobicContact CD1-CB 4.38Å; I635-K649 HydrophobicContact CG1-CB 4.19Å; K649-E651 IonicContact NZ-OE1 3.83Å; K649-E651 PolarHBondContact NZ-OE1 2.7Å; K649-T1051 VanDerWaalsContact CE-OG1 3.31Å; K649-T1051 WeakPolarHBondContact CE-OG1 3.38Å
650I79.6Confident77.4Confident77 Ų7758.3 Ų58.340%0.39529%0.285SS..EExtended strand (participates in β ladder)trans-103.9124.3178.1-64.5174.1000108.7Q630 R652Q630-I650 VanDerWaalsContact CD-CG2 3.49Å; Q630-I650 HydrophobicContact CG-CG2 3.87Å; I650-R652 HydrophobicContact CG2-CG 4.03Å
651E82.7Confident78.4Confident28 Ų2857.5 Ų57.513%0.13128%0.284CS..EExtended strand (participates in β ladder)trans-114.5127.6169.8-72.3-179.3-167.100109.1Q630 E631 K649 R653 F1050Q630-E651 WeakPolarHBondContact CA-O 3.47Å; E631-E651 HydrophobicContact CB-CB 4.48Å; E631-E651 PolarHBondContact N-O 3.16Å; E631-E651 PolarHBondContact O-N 3.05Å; K649-E651 IonicContact NZ-OE1 3.83Å; K649-E651 PolarHBondContact NZ-OE1 2.7Å; E651-R653 IonicContact OE2-CZ 3.27Å; E651-R653 IonicContact OE2-NH2 2.91Å; E651-R653 PolarHBondContact OE2-NH2 3.4Å; E651-F1050 HydrophobicContact CB-CE1 3.87Å; E651-F1050 HydrophobicContact CB-CZ 4.07Å; E651-F1050 HydrophobicContact CG-CD1 4.08Å; E651-F1050 HydrophobicContact CG-CE1 3.86Å; E651-F1050 HydrophobicContact CG-CZ 4.46Å; E651-F1050 VanDerWaalsContact OE2-CE1 3.3Å; E651-F1050 WeakPolarHBondContact OE2-CE1 3.32Å
652R89.3Confident79.6Confident37 Ų3749.1 Ų49.114%0.1425%0.248CC..EExtended strand (participates in β ladder)trans-116140.2176.7-60.3-162.4-172.3113.8-9.1111F628 E629 Q630 I650 D1046 F1050F628-R652 HydrophobicContact CB-CB 4.35Å; F628-R652 HydrophobicContact CD1-CB 3.64Å; F628-R652 HydrophobicContact CE1-CB 4.2Å; F628-R652 HydrophobicContact CG-CB 4.21Å; E629-R652 CarbonylContact O-C 3.57Å; E629-R652 WeakPolarHBondContact O-CA 3.48Å; Q630-R652 HydrophobicContact CB-CG 4.44Å; Q630-R652 HydrophobicContact CG-CG 4.15Å; I650-R652 HydrophobicContact CG2-CG 4.03Å; R652-D1046 HydrophobicContact CB-CB 4.11Å; R652-D1046 WeakPolarHBondContact CD-OD2 3.41Å; R652-D1046 IonicContact CZ-OD2 2.67Å; R652-D1046 IonicContact NH1-OD2 2.91Å; R652-D1046 PolarHBondContact NH1-OD2 3.01Å; R652-F1050 WeakPolarHBondContact O-CE2 3.45Å; R652-F1050 WeakPolarHBondContact O-CZ 3.42Å
653R90.1Very high80.4Confident3 Ų347.2 Ų47.21%0.01124%0.239CC..EExtended strand (participates in β ladder)trans-127.1103.4-176.1-66.1178.8-161.6119.48.9108.4F628 E629 E631 E651 F1024 F1050F628-R653 WeakPolarHBondContact CA-O 3.18Å; E629-R653 HydrophobicContact CB-CB 4.17Å; E629-R653 PolarHBondContact N-O 2.63Å; E629-R653 PolarHBondContact O-N 2.94Å; E629-R653 WeakPolarHBondContact OE2-CD 3.48Å; E629-R653 IonicContact OE2-CZ 3.07Å; E629-R653 IonicContact OE2-NE 3.97Å; E629-R653 IonicContact OE2-NH1 2.95Å; E629-R653 PolarHBondContact OE2-NH1 3.04Å; E631-R653 IonicContact OE2-CZ 3.29Å; E631-R653 VanDerWaalsContact OE2-CZ 3.24Å; E631-R653 IonicContact OE2-NH1 3.09Å; E631-R653 PolarHBondContact OE2-NH1 2.97Å; E631-R653 IonicContact OE2-NH2 2.94Å; E631-R653 PolarHBondContact OE2-NH2 3.32Å; E651-R653 IonicContact OE2-CZ 3.27Å; E651-R653 IonicContact OE2-NH2 2.91Å; E651-R653 PolarHBondContact OE2-NH2 3.4Å; R653-F1024 VanDerWaalsContact CA-CZ 3.48Å; R653-F1024 HydrophobicContact CB-CD1 4.46Å; R653-F1024 HydrophobicContact CB-CD2 3.9Å; R653-F1024 HydrophobicContact CB-CE1 4.08Å; R653-F1024 HydrophobicContact CB-CE2 3.49Å; R653-F1024 VanDerWaalsContact CB-CE2 3.49Å; R653-F1024 HydrophobicContact CB-CG 4.39Å; R653-F1024 HydrophobicContact CB-CZ 3.6Å; R653-F1024 HydrophobicContact CG-CD1 3.84Å; R653-F1024 HydrophobicContact CG-CD2 3.79Å; R653-F1024 HydrophobicContact CG-CE1 3.86Å; R653-F1024 HydrophobicContact CG-CE2 3.85Å; R653-F1024 HydrophobicContact CG-CG 3.82Å; R653-F1024 HydrophobicContact CG-CZ 3.9Å; R653-F1050 HydrophobicContact CG-CZ 3.77Å
654W92.9Very high81.4Confident3 Ų341.2 Ų41.21%0.01121%0.207CC..EExtended strand (participates in β ladder)trans-65.1130.3-175.5-17462.3000111.4D626 F628 Y657 P680 L683 F1026 I1028 T1041D626-W654 PolarHBondContact OD1-NE1 3.33Å; F628-W654 HydrophobicContact CD1-CB 3.93Å; F628-W654 HydrophobicContact CE1-CB 3.68Å; F628-W654 AromaticContact CE1-CD1 3.86Å; F628-W654 HydrophobicContact CE1-CG 4.15Å; F628-W654 HydrophobicContact CZ-CB 4.46Å; F628-W654 AromaticContact CZ-CD1 3.8Å; F628-W654 HydrophobicContact CZ-CG 4.48Å; W654-Y657 HydrophobicContact CH2-CD1 4.21Å; W654-Y657 HydrophobicContact CH2-CE1 4.41Å; W654-Y657 AromaticContact CZ2-CD1 3.52Å; W654-Y657 HydrophobicContact CZ2-CD1 3.52Å; W654-Y657 HydrophobicContact CZ2-CE1 4.11Å; W654-Y657 HydrophobicContact CZ2-CG 4.31Å; W654-P680 HydrophobicContact CE3-CG 3.85Å; W654-P680 HydrophobicContact CH2-CG 4.36Å; W654-P680 HydrophobicContact CZ3-CG 3.67Å; W654-L683 WeakPolarHBondContact O-CD2 3.45Å; W654-F1026 HydrophobicContact CE3-CD1 4.14Å; W654-F1026 HydrophobicContact CE3-CD2 4.24Å; W654-F1026 HydrophobicContact CE3-CE1 4.31Å; W654-F1026 HydrophobicContact CE3-CE2 4.39Å; W654-F1026 HydrophobicContact CE3-CG 4.11Å; W654-F1026 HydrophobicContact CE3-CZ 4.43Å; W654-F1026 HydrophobicContact CZ3-CD2 4.03Å; W654-F1026 HydrophobicContact CZ3-CE2 4.16Å; W654-F1026 HydrophobicContact CZ3-CG 4.33Å; W654-I1028 HydrophobicContact CZ3-CG2 4.22Å; W654-T1041 HydrophobicContact CH2-CG2 4.02Å; W654-T1041 HydrophobicContact CZ3-CG2 4.42Å
655L92.3Very high82.3Confident2 Ų233.1 Ų33.11%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-112.4-17.4-176.6-55.4-178.2000113V551 Y576 L627 E629 T679 P680 L683 Y686V551-L655 HydrophobicContact CG1-CD1 3.71Å; Y576-L655 HydrophobicContact CD1-CD1 3.82Å; Y576-L655 HydrophobicContact CE1-CD1 3.69Å; L627-L655 HydrophobicContact CD2-CB 4.45Å; L627-L655 HydrophobicContact CD2-CD1 4.42Å; L627-L655 HydrophobicContact CG-CB 4.35Å; L627-L655 HydrophobicContact CG-CD1 4.32Å; L627-L655 PolarHBondContact O-N 2.99Å; E629-L655 HydrophobicContact CB-CD1 4.24Å; L655-T679 WeakPolarHBondContact O-CG2 3.49Å; L655-P680 WeakPolarHBondContact O-CD 3.43Å; L655-L683 HydrophobicContact CD2-CD1 4.43Å; L655-Y686 HydrophobicContact CD2-CD1 4.25Å; L655-Y686 HydrophobicContact CD2-CE1 3.76Å; L655-Y686 HydrophobicContact CD2-CE2 4.35Å
656G92.1Very high83.3Confident0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans147.9-179.8-177.800000112.4L627 A678L627-G656 PolarHBondContact N-O 2.83Å; G656-A678 WeakPolarHBondContact CA-O 3.44Å
657Y94.3Very high83.8Confident66 Ų6629 Ų2926%0.25915%0.15SC..EExtended strand (participates in β ladder)trans-150.4170.9-174.273.4-76.8000113.4R624 L625 D626 W654 K659 L677 A678R624-Y657 HydrophobicContact CG-CD2 4.19Å; L625-Y657 CarbonylContact O-C 3.5Å; L625-Y657 WeakPolarHBondContact O-CA 3.18Å; L625-Y657 WeakPolarHBondContact O-CB 3.33Å; D626-Y657 VanDerWaalsContact OD1-CB 3.24Å; D626-Y657 WeakPolarHBondContact OD1-CB 3.34Å; W654-Y657 HydrophobicContact CH2-CD1 4.21Å; W654-Y657 HydrophobicContact CH2-CE1 4.41Å; W654-Y657 AromaticContact CZ2-CD1 3.52Å; W654-Y657 HydrophobicContact CZ2-CD1 3.52Å; W654-Y657 HydrophobicContact CZ2-CE1 4.11Å; W654-Y657 HydrophobicContact CZ2-CG 4.31Å; Y657-K659 HydrophobicContact CD2-CB 4.25Å; Y657-K659 HydrophobicContact CE2-CB 3.97Å; Y657-L677 CarbonylContact O-C 3.6Å; Y657-L677 WeakPolarHBondContact O-CA 3.24Å; Y657-A678 HydrophobicContact CD1-CB 3.81Å; Y657-A678 WeakPolarHBondContact CD1-O 3.45Å; Y657-A678 HydrophobicContact CE1-CB 3.55Å; Y657-A678 HydrophobicContact CE2-CB 4.46Å; Y657-A678 HydrophobicContact CG-CB 4.41Å; Y657-A678 PolarHBondContact N-O 2.93Å; Y657-A678 VanDerWaalsContact N-O 3.1Å; Y657-A678 PolarHBondContact O-N 3.12Å
658V93.7Very high84.5Confident7 Ų728.5 Ų28.54%0.04214%0.142CC..EExtended strand (participates in β ladder)trans-131.9137160.361.40000109.6R624 L625 I660 F675 L705R624-V658 WeakPolarHBondContact CA-O 3.39Å; L625-V658 HydrophobicContact CB-CG1 3.95Å; L625-V658 HydrophobicContact CD1-CG1 4.05Å; L625-V658 PolarHBondContact N-O 3.43Å; L625-V658 PolarHBondContact O-N 2.89Å; V658-I660 HydrophobicContact CG2-CD1 4.32Å; V658-I660 HydrophobicContact CG2-CG1 4.05Å; V658-F675 HydrophobicContact CG2-CB 4.3Å; V658-L705 HydrophobicContact CG1-CD1 3.94Å
659K91.5Very high85.1Confident91 Ų9129.2 Ų29.240%0.39614%0.144SC..EExtended strand (participates in β ladder)trans-115.1126.3177.6-175.9-174.1-178.3-171.80108.1S622 Y657 N802S622-K659 WeakPolarHBondContact OG-CE 3.23Å; Y657-K659 HydrophobicContact CD2-CB 4.25Å; Y657-K659 HydrophobicContact CE2-CB 3.97Å; K659-N802 PolarHBondContact NZ-OD1 2.88Å
660I90.4Very high85.7Confident0 Ų032.7 Ų32.70%016%0.156CC..EExtended strand (participates in β ladder)trans-128.5125.3-176-61.5175.3000108.1S622 L623 V658 I665 L671 F675 I707 C855S622-I660 CarbonylContact C-O 3.59Å; S622-I660 WeakPolarHBondContact CA-O 3.28Å; S622-I660 WeakPolarHBondContact CB-O 3.36Å; L623-I660 PolarHBondContact N-O 2.86Å; L623-I660 PolarHBondContact O-N 3.47Å; V658-I660 HydrophobicContact CG2-CD1 4.32Å; V658-I660 HydrophobicContact CG2-CG1 4.05Å; I660-I665 HydrophobicContact CG2-CD1 4.04Å; I660-I665 HydrophobicContact CG2-CG1 3.73Å; I660-L671 HydrophobicContact CD1-CD1 4.5Å; I660-L671 HydrophobicContact CG2-CD1 3.46Å; I660-L671 VanDerWaalsContact CG2-CD1 3.46Å; I660-F675 HydrophobicContact CD1-CD1 4.16Å; I660-F675 HydrophobicContact CD1-CE1 4.02Å; I660-I707 HydrophobicContact CD1-CD1 3.39Å; I660-C855 WeakPolarHBondContact CA-O 3.48Å; I660-C855 HydrophobicContact CG1-CB 4.41Å
661S84.8Confident86.2Confident18 Ų1829.2 Ų29.213%0.12614%0.138CC..EExtended strand (participates in β ladder)trans-68.8147-178.369.40000112S663 S664 I665 C855 N856S661-S663 PolarHBondContact O-N 3.11Å; S661-S663 PolarHBondContact OG-OG 2.84Å; S661-S663 VanDerWaalsContact OG-OG 3.04Å; S661-S664 WeakPolarHBondContact O-CB 3.45Å; S661-S664 PolarHBondContact O-N 2.95Å; S661-S664 WeakPolarHBondContact OG-CB 3.11Å; S661-S664 PolarHBondContact OG-N 3.46Å; S661-I665 WeakPolarHBondContact O-CG1 3.42Å; S661-I665 PolarHBondContact O-N 3.15Å; S661-C855 PolarHBondContact N-O 3Å; S661-C855 PolarHBondContact OG-O 3.17Å; S661-N856 WeakPolarHBondContact CB-O 3.4Å; S661-N856 VanDerWaalsContact OG-C 3.3Å; S661-N856 PolarHBondContact OG-O 2.94Å
662L80.9Confident86.6Confident0 Ų035.3 Ų35.30%016%0.161CC..Hα-helixtrans-63.9-33.8174.8-177.459.6000111.5F582 L609 F617 D621 I665 I666 I709F582-L662 HydrophobicContact CE2-CD1 4.28Å; F582-L662 HydrophobicContact CE2-CD2 4.45Å; F582-L662 HydrophobicContact CZ-CD1 4.36Å; F582-L662 HydrophobicContact CZ-CD2 4.16Å; L609-L662 HydrophobicContact CD2-CD1 3.76Å; L609-L662 HydrophobicContact CD2-CD2 3.94Å; L609-L662 HydrophobicContact CD2-CG 4.35Å; F617-L662 HydrophobicContact CB-CD2 4Å; F617-L662 HydrophobicContact CD2-CD2 3.76Å; F617-L662 HydrophobicContact CD2-CG 4.16Å; F617-L662 HydrophobicContact CE2-CG 4.46Å; F617-L662 HydrophobicContact CG-CD2 4.01Å; D621-L662 HydrophobicContact CB-CB 3.85Å; D621-L662 HydrophobicContact CB-CD2 3.67Å; D621-L662 HydrophobicContact CB-CG 4.43Å; D621-L662 WeakPolarHBondContact O-CB 3.29Å; D621-L662 PolarHBondContact O-N 3.34Å; L662-I665 PolarHBondContact O-N 3.2Å; L662-I666 HydrophobicContact CD1-CD1 4.01Å; L662-I666 HydrophobicContact CD1-CG1 4.27Å; L662-I666 HydrophobicContact CG-CD1 3.84Å; L662-I666 HydrophobicContact CG-CG1 4.49Å; L662-I666 VanDerWaalsContact O-CG1 3.31Å; L662-I666 WeakPolarHBondContact O-CG1 3.4Å; L662-I666 PolarHBondContact O-N 3.14Å; L662-I709 HydrophobicContact CD1-CD1 3.91Å
663S75.7Confident86.6Confident21 Ų2134.7 Ų34.715%0.14717%0.167CC..Hα-helixtrans-61.3-40.8173.355.60000112.3S661 A667S661-S663 PolarHBondContact O-N 3.11Å; S661-S663 PolarHBondContact OG-OG 2.84Å; S661-S663 VanDerWaalsContact OG-OG 3.04Å; S663-A667 WeakPolarHBondContact O-CB 3.39Å; S663-A667 PolarHBondContact O-N 3.48Å
664S82.5Confident86.6Confident0 Ų036.8 Ų36.80%018%0.182CC..Hα-helixtrans-61-51.2173.4-174.50000112S661 I666 A667 Q668 A854S661-S664 WeakPolarHBondContact O-CB 3.45Å; S661-S664 PolarHBondContact O-N 2.95Å; S661-S664 WeakPolarHBondContact OG-CB 3.11Å; S661-S664 PolarHBondContact OG-N 3.46Å; S664-I666 VanDerWaalsContact C-N 3.29Å; S664-I666 PolarHBondContact O-N 3.02Å; S664-A667 PolarHBondContact O-N 3.41Å; S664-Q668 WeakPolarHBondContact O-CB 3.25Å; S664-Q668 WeakPolarHBondContact O-CG 3.48Å; S664-Q668 PolarHBondContact O-N 3.06Å; S664-Q668 PolarHBondContact OG-NE2 3.17Å; S664-A854 PolarHBondContact OG-O 3.41Å
665I85Confident86.6Confident1 Ų137.3 Ų37.31%0.00518%0.184CC..Hα-helixtrans-59.8-40.8-177.8-60.6165.2000111.2L541 L623 I660 S661 L662 K669 L671 I707 I709L541-I665 HydrophobicContact CD1-CG2 4.38Å; L623-I665 HydrophobicContact CB-CD1 3.95Å; L623-I665 HydrophobicContact CD2-CD1 4.24Å; I660-I665 HydrophobicContact CG2-CD1 4.04Å; I660-I665 HydrophobicContact CG2-CG1 3.73Å; S661-I665 WeakPolarHBondContact O-CG1 3.42Å; S661-I665 PolarHBondContact O-N 3.15Å; L662-I665 PolarHBondContact O-N 3.2Å; I665-K669 PolarHBondContact O-N 3.4Å; I665-L671 HydrophobicContact CG1-CD1 3.78Å; I665-I707 HydrophobicContact CD1-CG2 4.01Å; I665-I707 HydrophobicContact CG1-CG2 4.06Å; I665-I707 HydrophobicContact CG2-CG2 3.98Å; I665-I709 HydrophobicContact CB-CD1 4.41Å; I665-I709 HydrophobicContact CG2-CD1 3.63Å; I665-I709 HydrophobicContact CG2-CG1 3.73Å
666I78.7Confident86.6Confident11 Ų1138.6 Ų38.66%0.05619%0.19CC..Hα-helixtrans-72.8-51.8179.7-66169.9000111.3L609 F617 L662 S664 Q668 K669 I709 P713 I715L609-I666 HydrophobicContact CD1-CD1 4.4Å; F617-I666 HydrophobicContact CD1-CD1 4.2Å; F617-I666 HydrophobicContact CE1-CD1 3.73Å; F617-I666 HydrophobicContact CE2-CD1 4.11Å; F617-I666 HydrophobicContact CZ-CD1 3.68Å; L662-I666 HydrophobicContact CD1-CD1 4.01Å; L662-I666 HydrophobicContact CD1-CG1 4.27Å; L662-I666 HydrophobicContact CG-CD1 3.84Å; L662-I666 HydrophobicContact CG-CG1 4.49Å; L662-I666 VanDerWaalsContact O-CG1 3.31Å; L662-I666 WeakPolarHBondContact O-CG1 3.4Å; L662-I666 PolarHBondContact O-N 3.14Å; S664-I666 VanDerWaalsContact C-N 3.29Å; S664-I666 PolarHBondContact O-N 3.02Å; I666-Q668 VanDerWaalsContact C-N 3.32Å; I666-Q668 PolarHBondContact O-N 3.01Å; I666-K669 PolarHBondContact O-N 3.45Å; I666-K669 VanDerWaalsContact O-N 3.14Å; I666-I709 HydrophobicContact CG1-CD1 3.86Å; I666-P713 HydrophobicContact CB-CG 4.46Å; I666-P713 HydrophobicContact CD1-CG 4.24Å; I666-P713 HydrophobicContact CG1-CG 3.87Å; I666-P713 HydrophobicContact CG2-CG 3.91Å; I666-I715 HydrophobicContact CG2-CD1 3.62Å; I666-I715 HydrophobicContact CG2-CG1 4.18Å
667A75Confident86.6Confident51 Ų5138.7 Ų38.742%0.42119%0.19SC..Hα-helixtrans-60.7-42-175.400000112.3S663 S664 K669 P858S663-A667 WeakPolarHBondContact O-CB 3.39Å; S663-A667 PolarHBondContact O-N 3.48Å; S664-A667 PolarHBondContact O-N 3.41Å; A667-K669 VanDerWaalsContact C-N 3.35Å; A667-P858 HydrophobicContact CB-CB 4.38Å; A667-P858 HydrophobicContact CB-CG 3.73Å
668Q78.8Confident86.4Confident41 Ų4137.3 Ų37.319%0.19219%0.193CC..Hα-helixtrans-83.8-11-178.8-57-174.34800112.8S664 I666 R670 L671 T852 D853S664-Q668 WeakPolarHBondContact O-CB 3.25Å; S664-Q668 WeakPolarHBondContact O-CG 3.48Å; S664-Q668 PolarHBondContact O-N 3.06Å; S664-Q668 PolarHBondContact OG-NE2 3.17Å; I666-Q668 VanDerWaalsContact C-N 3.32Å; I666-Q668 PolarHBondContact O-N 3.01Å; Q668-R670 PolarHBondContact O-N 3.43Å; Q668-L671 HydrophobicContact CB-CD2 3.7Å; Q668-L671 HydrophobicContact CG-CD2 4.03Å; Q668-L671 VanDerWaalsContact OE1-CD2 3.24Å; Q668-T852 HydrophobicContact CG-CG2 4.21Å; Q668-D853 PolarHBondContact NE2-O 3.39Å
669K83Confident86.2Confident116 Ų11639.7 Ų39.750%0.50421%0.207SC..SBendtrans63.9-36.7179.5-54.1170.2-175.1172.80115.6I665 I666 A667 I712I665-K669 PolarHBondContact O-N 3.4Å; I666-K669 PolarHBondContact O-N 3.45Å; I666-K669 VanDerWaalsContact O-N 3.14Å; A667-K669 VanDerWaalsContact C-N 3.35Å; K669-I712 HydrophobicContact CB-CD1 4.3Å; K669-I712 HydrophobicContact CB-CG2 4.49Å; K669-I712 HydrophobicContact CG-CG2 4.12Å
670R87.3Confident86.1Confident114 Ų11435.8 Ų35.843%0.4319%0.192SC..EExtended strand (participates in β ladder)trans-148.3117.5171.2173.3-178.4173.980.7-4.9108.8Q668 I707 R708Q668-R670 PolarHBondContact O-N 3.43Å; R670-I707 CarbonylContact C-O 3.46Å; R670-I707 VanDerWaalsContact CA-O 3.3Å; R670-I707 WeakPolarHBondContact CA-O 3.49Å; R670-R708 HydrophobicContact CB-CB 4.2Å; R670-R708 HydrophobicContact CG-CB 4.39Å
671L89.2Confident85.8Confident4 Ų441.2 Ų41.22%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-83.3140.5165.4-56.1174.5000109.2I660 I665 Q668 F675 S706 I707 A854I660-L671 HydrophobicContact CD1-CD1 4.5Å; I660-L671 HydrophobicContact CG2-CD1 3.46Å; I660-L671 VanDerWaalsContact CG2-CD1 3.46Å; I665-L671 HydrophobicContact CG1-CD1 3.78Å; Q668-L671 HydrophobicContact CB-CD2 3.7Å; Q668-L671 HydrophobicContact CG-CD2 4.03Å; Q668-L671 VanDerWaalsContact OE1-CD2 3.24Å; L671-F675 HydrophobicContact CB-CZ 4.23Å; L671-S706 CarbonylContact O-C 3.49Å; L671-S706 WeakPolarHBondContact O-CA 3.48Å; L671-I707 HydrophobicContact CB-CB 4.29Å; L671-I707 PolarHBondContact N-O 3.02Å; L671-I707 PolarHBondContact O-N 3.27Å; L671-A854 WeakPolarHBondContact CD1-O 3.47Å
672Y90.5Very high85.9Confident155 Ų15541.1 Ų41.161%0.60821%0.212SC*.EExtended strand (participates in β ladder)trans-155.5127173.3177.4-101.9000110L705Y672-L705 WeakPolarHBondContact CA-O 3.3Å
673G89.3Confident86.1Confident25 Ų2542 Ų4226%0.25822%0.216SC..EExtended strand (participates in β ladder)trans160.2-165.3179.700000113.9F675 H704 L705G673-F675 WeakPolarHBondContact O-CD2 3.29Å; G673-F675 WeakPolarHBondContact O-CE2 3.42Å; G673-H704 WeakPolarHBondContact O-CA 3.11Å; G673-L705 PolarHBondContact N-O 2.94Å; G673-L705 VanDerWaalsContact N-O 3.16Å; G673-L705 PolarHBondContact O-N 2.9Å
674S91Very high86.5Confident47 Ų4741 Ų4133%0.32921%0.209SC..EExtended strand (participates in β ladder)trans-100.1121177-66.10000110.1H704S674-H704 PolarHBondContact OG-CD2 3.49Å; S674-H704 VanDerWaalsContact OG-CD2 3.32Å; S674-H704 PolarHBondContact OG-NE2 2.88Å
675F92.4Very high86.4Confident13 Ų1342.2 Ų42.26%0.05722%0.216CC..EExtended strand (participates in β ladder)trans-111.8122.4-176.8-63.2-96.4000109.4V658 I660 L671 G673 L677 Y702 A703 L705 A854V658-F675 HydrophobicContact CG2-CB 4.3Å; I660-F675 HydrophobicContact CD1-CD1 4.16Å; I660-F675 HydrophobicContact CD1-CE1 4.02Å; L671-F675 HydrophobicContact CB-CZ 4.23Å; G673-F675 WeakPolarHBondContact O-CD2 3.29Å; G673-F675 WeakPolarHBondContact O-CE2 3.42Å; F675-L677 PolarHBondContact O-N 2.86Å; F675-Y702 CarbonylContact O-C 3.5Å; F675-Y702 WeakPolarHBondContact O-CA 3.27Å; F675-Y702 WeakPolarHBondContact O-CB 3.39Å; F675-A703 PolarHBondContact N-O 2.69Å; F675-A703 PolarHBondContact O-N 3.12Å; F675-L705 HydrophobicContact CB-CD1 4.34Å; F675-L705 HydrophobicContact CD2-CB 3.74Å; F675-L705 HydrophobicContact CD2-CD1 3.98Å; F675-L705 HydrophobicContact CD2-CG 4Å; F675-L705 HydrophobicContact CE2-CB 3.84Å; F675-L705 HydrophobicContact CG-CD1 4.23Å; F675-A854 HydrophobicContact CE1-CB 3.9Å
676E92Very high86.2Confident29 Ų2943.2 Ų43.214%0.13622%0.22CC..EExtended strand (participates in β ladder)trans-63.6131.5172.4-169.2-176.8143.900109.9R700 K879E676-R700 WeakPolarHBondContact OE2-CD 3.08Å; E676-R700 IonicContact OE2-CZ 3.52Å; E676-R700 IonicContact OE2-NE 2.87Å; E676-R700 IonicContact OE2-NH1 3.49Å; E676-R700 PolarHBondContact OE2-NH1 3.3Å; E676-K879 IonicContact OE1-NZ 2.81Å; E676-K879 PolarHBondContact OE1-NZ 3.27Å
677L92.4Very high85.9Confident2 Ų247 Ų471%0.0124%0.238CC..  trans-83.5131.9173.3-92.168.3000109.9F578 L627 Y657 F675 T679 C701 A703F578-L677 HydrophobicContact CE1-CD2 4.21Å; F578-L677 HydrophobicContact CZ-CD2 4.38Å; L627-L677 HydrophobicContact CB-CD2 3.82Å; L627-L677 HydrophobicContact CD2-CD2 3.74Å; L627-L677 HydrophobicContact CG-CD2 4.43Å; Y657-L677 CarbonylContact O-C 3.6Å; Y657-L677 WeakPolarHBondContact O-CA 3.24Å; F675-L677 PolarHBondContact O-N 2.86Å; L677-T679 HydrophobicContact CB-CG2 4.45Å; L677-T679 PolarHBondContact O-N 3.36Å; L677-C701 HydrophobicContact CB-CB 4.39Å; L677-C701 PolarHBondContact N-O 3.22Å; L677-A703 HydrophobicContact CD1-CB 3.62Å
678A89.9Confident85.6Confident38 Ų3847.5 Ų47.531%0.31424%0.235SC..BIsolated β-bridgetrans-70.282.2164.500000109.3G656 Y657G656-A678 WeakPolarHBondContact CA-O 3.44Å; Y657-A678 HydrophobicContact CD1-CB 3.81Å; Y657-A678 WeakPolarHBondContact CD1-O 3.45Å; Y657-A678 HydrophobicContact CE1-CB 3.55Å; Y657-A678 HydrophobicContact CE2-CB 4.46Å; Y657-A678 HydrophobicContact CG-CB 4.41Å; Y657-A678 PolarHBondContact N-O 2.93Å; Y657-A678 VanDerWaalsContact N-O 3.1Å; Y657-A678 PolarHBondContact O-N 3.12Å
679T89.6Confident84.8Confident56 Ų5650.3 Ų50.334%0.34425%0.248SC..  trans-72146.9169.159.60000110.3L655 L677 C701L655-T679 WeakPolarHBondContact O-CG2 3.49Å; L677-T679 HydrophobicContact CB-CG2 4.45Å; L677-T679 PolarHBondContact O-N 3.36Å; T679-C701 HydrophobicContact CG2-CB 3.75Å
680P88.9Confident83.5Confident10 Ų1051.1 Ų51.17%0.06525%0.251CS..  trans-54153.4170-2737.3000112.2W654 L655 W682 L683 F1026 A1027 I1028W654-P680 HydrophobicContact CE3-CG 3.85Å; W654-P680 HydrophobicContact CH2-CG 4.36Å; W654-P680 HydrophobicContact CZ3-CG 3.67Å; L655-P680 WeakPolarHBondContact O-CD 3.43Å; P680-W682 VanDerWaalsContact C-N 3.25Å; P680-W682 PolarHBondContact O-N 3.08Å; P680-L683 HydrophobicContact CB-CD2 4.16Å; P680-L683 HydrophobicContact CB-CG 4.32Å; P680-L683 HydrophobicContact CG-CD2 3.8Å; P680-L683 HydrophobicContact CG-CG 4.33Å; P680-F1026 HydrophobicContact CB-CB 3.82Å; P680-F1026 HydrophobicContact CG-CB 3.87Å; P680-A1027 CarbonylContact C-O 3.58Å; P680-A1027 WeakPolarHBondContact CB-O 3.43Å; P680-I1028 HydrophobicContact CB-CG2 4.49Å
681K85.3Confident81.6Confident113 Ų11349.5 Ų49.549%0.49125%0.249SC..SBendtrans-61.6-37.7-178.5-59.7-77.3177.4154.60110.9L1004 A1027 N1029 W1074K681-L1004 WeakPolarHBondContact O-CD1 3.42Å; K681-A1027 PolarHBondContact N-O 2.78Å; K681-N1029 HydrophobicContact CD-CB 4.46Å; K681-N1029 HydrophobicContact CG-CB 4.06Å; K681-W1074 HydrophobicContact CB-CH2 4.15Å; K681-W1074 HydrophobicContact CB-CZ3 3.71Å; K681-W1074 HydrophobicContact CD-CH2 4.47Å; K681-W1074 HydrophobicContact CG-CH2 4.13Å; K681-W1074 HydrophobicContact CG-CZ3 3.89Å
682W85.7Confident79.3Confident17 Ų1759.5 Ų59.56%0.06429%0.292CS..EExtended strand (participates in β ladder)trans-133133.9170.9-170.917.6000109.2P680 L684 F990 V993 L1004 F1010 V1014 F1018 F1026 A1027 L1076P680-W682 VanDerWaalsContact C-N 3.25Å; P680-W682 PolarHBondContact O-N 3.08Å; W682-L684 HydrophobicContact CD2-CD2 3.53Å; W682-L684 VanDerWaalsContact CE2-CD2 3.45Å; W682-L684 HydrophobicContact CE3-CD2 3.71Å; W682-L684 HydrophobicContact CG-CD2 4.18Å; W682-L684 HydrophobicContact CH2-CD2 3.76Å; W682-L684 HydrophobicContact CZ2-CD2 3.59Å; W682-L684 HydrophobicContact CZ3-CD2 3.81Å; W682-F990 HydrophobicContact CH2-CD1 4.11Å; W682-F990 HydrophobicContact CH2-CE1 4.22Å; W682-F990 HydrophobicContact CZ3-CD1 4.13Å; W682-V993 HydrophobicContact CE3-CG1 4.01Å; W682-V993 HydrophobicContact CH2-CB 4.39Å; W682-V993 HydrophobicContact CH2-CG1 4.04Å; W682-V993 HydrophobicContact CH2-CG2 4.26Å; W682-V993 HydrophobicContact CZ3-CB 3.92Å; W682-V993 HydrophobicContact CZ3-CG1 3.55Å; W682-V993 HydrophobicContact CZ3-CG2 4.28Å; W682-L1004 HydrophobicContact CB-CD1 3.73Å; W682-L1004 HydrophobicContact CB-CD2 4.37Å; W682-L1004 HydrophobicContact CD2-CD2 3.95Å; W682-L1004 HydrophobicContact CG-CD1 4.05Å; W682-L1004 HydrophobicContact CG-CD2 3.84Å; W682-F1010 HydrophobicContact CD2-CE1 4.5Å; W682-F1010 AromaticContact CE2-CE1 3.75Å; W682-F1010 AromaticContact CE2-CZ 3.53Å; W682-F1010 HydrophobicContact CH2-CD1 4.26Å; W682-F1010 AromaticContact CH2-CE1 3.8Å; W682-F1010 HydrophobicContact CH2-CE1 3.8Å; W682-F1010 HydrophobicContact CH2-CZ 4.29Å; W682-F1010 HydrophobicContact CZ2-CD1 4.08Å; W682-F1010 AromaticContact CZ2-CE1 3.35Å; W682-F1010 HydrophobicContact CZ2-CE1 3.35Å; W682-F1010 HydrophobicContact CZ2-CE2 4.09Å; W682-F1010 AromaticContact CZ2-CZ 3.38Å; W682-F1010 HydrophobicContact CZ2-CZ 3.38Å; W682-F1010 AromaticContact NE1-CZ 3.56Å; W682-V1014 HydrophobicContact CH2-CG1 4.21Å; W682-F1018 HydrophobicContact CZ2-CE2 4.06Å; W682-F1018 HydrophobicContact CZ2-CZ 4.09Å; W682-F1026 CarbonylContact O-C 3.5Å; W682-F1026 VanDerWaalsContact O-CA 3.3Å; W682-F1026 WeakPolarHBondContact O-CA 3.35Å; W682-A1027 HydrophobicContact CB-CB 3.84Å; W682-A1027 PolarHBondContact N-O 2.67Å; W682-A1027 PolarHBondContact O-N 3.06Å; W682-L1076 HydrophobicContact CE3-CD1 3.63Å; W682-L1076 HydrophobicContact CZ3-CD1 3.56Å
683L86Confident76.8Confident17 Ų1758.2 Ų58.29%0.08929%0.292CS..EExtended strand (participates in β ladder)trans-111118.9167.5-75.8168.2000107.9P552 W654 L655 P680 N685 Y686 F1026P552-L683 HydrophobicContact CB-CD1 3.94Å; P552-L683 HydrophobicContact CG-CD1 3.77Å; W654-L683 WeakPolarHBondContact O-CD2 3.45Å; L655-L683 HydrophobicContact CD2-CD1 4.43Å; P680-L683 HydrophobicContact CB-CD2 4.16Å; P680-L683 HydrophobicContact CB-CG 4.32Å; P680-L683 HydrophobicContact CG-CD2 3.8Å; P680-L683 HydrophobicContact CG-CG 4.33Å; L683-N685 PolarHBondContact O-N 2.83Å; L683-Y686 HydrophobicContact CB-CD2 3.92Å; L683-Y686 HydrophobicContact CB-CG 4.13Å; L683-Y686 PolarHBondContact O-N 3.19Å; L683-F1026 HydrophobicContact CD2-CB 4.12Å
684L83.7Confident74.3Confident0 Ų069.2 Ų69.20%033%0.325CS..THydrogen-bonded Turntrans-70126.4-173.7-55-176.7000110.1W682 Y686 F990 F1018 I1023 G1025 L1076W682-L684 HydrophobicContact CD2-CD2 3.53Å; W682-L684 VanDerWaalsContact CE2-CD2 3.45Å; W682-L684 HydrophobicContact CE3-CD2 3.71Å; W682-L684 HydrophobicContact CG-CD2 4.18Å; W682-L684 HydrophobicContact CH2-CD2 3.76Å; W682-L684 HydrophobicContact CZ2-CD2 3.59Å; W682-L684 HydrophobicContact CZ3-CD2 3.81Å; L684-Y686 VanDerWaalsContact C-N 3.31Å; L684-Y686 WeakPolarHBondContact O-CD2 3.14Å; L684-Y686 PolarHBondContact O-N 3.44Å; L684-F990 HydrophobicContact CD1-CE1 4.25Å; L684-F990 HydrophobicContact CD1-CE2 4.36Å; L684-F990 HydrophobicContact CD1-CZ 3.9Å; L684-F990 HydrophobicContact CD2-CE1 4.38Å; L684-F1018 HydrophobicContact CB-CE1 4.34Å; L684-F1018 HydrophobicContact CB-CZ 4.33Å; L684-F1018 HydrophobicContact CD2-CZ 4.34Å; L684-I1023 HydrophobicContact CB-CG2 3.97Å; L684-I1023 HydrophobicContact CD1-CG2 3.63Å; L684-I1023 HydrophobicContact CG-CG2 4.43Å; L684-G1025 PolarHBondContact N-O 3.06Å; L684-L1076 HydrophobicContact CD1-CD2 4.18Å; L684-L1076 HydrophobicContact CD2-CD1 4.25Å
685N81.1Confident71.8Confident27 Ų2774.1 Ų74.114%0.14435%0.347CS..THydrogen-bonded Turntrans62.628-177.1-162.515.6000115R554 S555 D556 L683 F1018 I1023R554-N685 CarbonylContact C-O 3.56Å; R554-N685 VanDerWaalsContact CA-O 3.31Å; R554-N685 WeakPolarHBondContact CA-O 3.37Å; S555-N685 PolarHBondContact N-O 3.26Å; S555-N685 VanDerWaalsContact OG-C 3.24Å; S555-N685 PolarHBondContact OG-O 3.07Å; S555-N685 VanDerWaalsContact OG-O 3.07Å; S555-N685 PolarHBondContact OG-OD1 2.92Å; D556-N685 PolarHBondContact N-OD1 2.76Å; D556-N685 PolarHBondContact OD2-ND2 2.9Å; L683-N685 PolarHBondContact O-N 2.83Å; N685-F1018 HydrophobicContact CB-CD1 4.39Å; N685-F1018 HydrophobicContact CB-CE1 4.02Å; N685-I1023 WeakPolarHBondContact CB-O 3.34Å
686Y80.3Confident69.3Low22 Ų2276 Ų769%0.08636%0.356CS..EExtended strand (participates in β ladder)trans-115.6150.9168.4-72.4-95000112.1P552 A553 R554 E629 L655 L683 L684 F1024P552-Y686 HydrophobicContact CB-CD1 4.05Å; P552-Y686 HydrophobicContact CB-CG 4.37Å; P552-Y686 WeakPolarHBondContact O-CD1 3.38Å; A553-Y686 CarbonylContact O-C 3.55Å; A553-Y686 WeakPolarHBondContact O-CA 3.14Å; R554-Y686 HydrophobicContact CB-CE1 4.47Å; R554-Y686 HydrophobicContact CG-CD1 4.2Å; R554-Y686 HydrophobicContact CG-CE1 3.58Å; E629-Y686 PolarHBondContact OE1-OH 3.35Å; E629-Y686 PolarHBondContact OE2-OH 2.83Å; E629-Y686 VanDerWaalsContact OE2-OH 3.06Å; L655-Y686 HydrophobicContact CD2-CD1 4.25Å; L655-Y686 HydrophobicContact CD2-CE1 3.76Å; L655-Y686 HydrophobicContact CD2-CE2 4.35Å; L683-Y686 HydrophobicContact CB-CD2 3.92Å; L683-Y686 HydrophobicContact CB-CG 4.13Å; L683-Y686 PolarHBondContact O-N 3.19Å; L684-Y686 VanDerWaalsContact C-N 3.31Å; L684-Y686 WeakPolarHBondContact O-CD2 3.14Å; L684-Y686 PolarHBondContact O-N 3.44Å; Y686-F1024 AromaticContact CE2-CD2 3.96Å; Y686-F1024 HydrophobicContact CE2-CD2 3.96Å; Y686-F1024 HydrophobicContact CE2-CE2 4.14Å
687Q73.3Confident67Low91 Ų9179 Ų7943%0.42538%0.378SS..EExtended strand (participates in β ladder)trans-134.8141.3172.8-67.7-179.4-12.300109.8A553A553-Q687 PolarHBondContact N-O 2.96Å; A553-Q687 PolarHBondContact O-N 3.14Å; A553-Q687 VanDerWaalsContact O-O 3.13Å
688V68.9Low65.1Low60 Ų6080.9 Ų80.936%0.36439%0.386SS..  trans-79.5124.2167.4-179.30000107.7P552 K690P552-V688 HydrophobicContact CG-CG2 4.44Å; V688-K690 PolarHBondContact O-N 3.01Å
689Q61.4Low64.1Low101 Ų10184.9 Ų84.947%0.47240%0.402SS..  trans-68.8103.4177.2-69.3-172.4-14.400109.8A553 E691A553-Q689 HydrophobicContact CB-CG 4.41Å; Q689-E691 PolarHBondContact O-N 2.95Å
690K55.6Low63.8Low132 Ų13285 Ų8557%0.57440%0.397SS*.  trans-70.678.9170.1-67.2176.7-178.4170.80109V688 K692 S1005V688-K690 PolarHBondContact O-N 3.01Å; K690-K692 PolarHBondContact O-N 3.02Å; K690-S1005 PolarHBondContact NZ-OG 2.89Å
691E47.4Very low63.8Low81 Ų8185 Ų8538%0.37940%0.396SS..  trans-54.9132.5173.5-72-172.413000110.1Q689 Q693 Q696Q689-E691 PolarHBondContact O-N 2.95Å; E691-Q693 PolarHBondContact O-N 2.86Å; E691-Q696 PolarHBondContact OE2-NE2 3.45Å
692K41Very low64.1Low214 Ų21480.6 Ų80.693%0.9338%0.377SS*.SBendtrans-72.16.1-179.8-66.4-175.9177.71800113.8K690K690-K692 PolarHBondContact O-N 3.02Å
693Q36.7Very low64.5Low127 Ų12779.8 Ų79.859%0.59337%0.374SS*.  trans-86.4120.3-178-60.9-167.116.700110.9E691 L695E691-Q693 PolarHBondContact O-N 2.86Å; Q693-L695 PolarHBondContact O-N 3.38Å
694R38.2Very low64.9Low256 Ų25681.1 Ų81.197%0.96638%0.379SS*.THydrogen-bonded Turntrans-66.317.4179.7-66.6178.5168.5175.5-5115.1
695L38.1Very low65.4Low150 Ų15081.1 Ų81.179%0.78538%0.38SS*.THydrogen-bonded Turntrans-113-12.1-169.1-74.8159.9000113.8Q693 P697Q693-L695 PolarHBondContact O-N 3.38Å; L695-P697 WeakPolarHBondContact O-CD 3.03Å
696Q39.1Very low66Low53 Ų5380.5 Ų80.525%0.24838%0.377CS..  trans-96.4114.1170.8-73-133.960.600110.1N550 E691 F698N550-Q696 PolarHBondContact ND2-OE1 2.99Å; N550-Q696 PolarHBondContact OD1-NE2 2.87Å; N550-Q696 PolarHBondContact OD1-OE1 2.91Å; E691-Q696 PolarHBondContact OE2-NE2 3.45Å; Q696-F698 PolarHBondContact O-N 2.74Å
697P44.5Very low66.7Low91 Ų9179.5 Ų79.559%0.59137%0.373SS*.  trans-77.7-11.8-171.626.5-33.1000115.9L695L695-P697 WeakPolarHBondContact O-CD 3.03Å
698F53.6Low67.5Low42 Ų4279.5 Ų79.518%0.18437%0.369CS..  trans-139.6132.4-174.5-52.2-65.1000114.6N550 Q696 R700 P886 L887N550-F698 PolarHBondContact ND2-O 2.91Å; Q696-F698 PolarHBondContact O-N 2.74Å; F698-R700 HydrophobicContact CB-CB 4.44Å; F698-R700 PolarHBondContact O-N 3.01Å; F698-P886 VanDerWaalsContact CE2-CD 3.43Å; F698-P886 HydrophobicContact CE2-CG 3.61Å; F698-P886 HydrophobicContact CZ-CG 3.99Å; F698-L887 HydrophobicContact CB-CD1 4.25Å; F698-L887 HydrophobicContact CD2-CD1 3.82Å; F698-L887 HydrophobicContact CD2-CG 4.16Å; F698-L887 HydrophobicContact CE2-CG 4.49Å; F698-L887 HydrophobicContact CG-CD1 4.05Å
699N67.7Low68.5Low122 Ų12276.8 Ų76.865%0.65235%0.353SS*.SBendtrans-75.121.8169.2-67.3-30.7000113.7
700R82.6Confident69.5Low60 Ų6074.1 Ų74.123%0.22634%0.34CS..SBendtrans-108.1149.3-177.3-68.7177.6-68.3-174.4-11.7110.4E676 F698 Y702 D885E676-R700 WeakPolarHBondContact OE2-CD 3.08Å; E676-R700 IonicContact OE2-CZ 3.52Å; E676-R700 IonicContact OE2-NE 2.87Å; E676-R700 IonicContact OE2-NH1 3.49Å; E676-R700 PolarHBondContact OE2-NH1 3.3Å; F698-R700 HydrophobicContact CB-CB 4.44Å; F698-R700 PolarHBondContact O-N 3.01Å; R700-Y702 WeakPolarHBondContact O-CD1 3.16Å; R700-D885 IonicContact CZ-OD1 2.67Å; R700-D885 IonicContact CZ-OD2 3.84Å; R700-D885 IonicContact NH1-OD2 3.25Å; R700-D885 PolarHBondContact NH1-OD2 3.14Å; R700-D885 VanDerWaalsContact NH1-OD2 3.15Å; R700-D885 IonicContact NH2-OD1 2.66Å; R700-D885 PolarHBondContact NH2-OD1 3.35Å; R700-D885 IonicContact NH2-OD2 3.53Å; R700-D885 PolarHBondContact NH2-OD2 2.91Å
701C89.1Confident70.7Confident8 Ų870.7 Ų70.75%0.05433%0.332CS..  trans-78.7132.1172-172.90000110C548 N549 L677 T679C548-C701 VanDerWaalsContact SG-SG 3.6Å; N549-C701 WeakPolarHBondContact O-CA 3.46Å; L677-C701 HydrophobicContact CB-CB 4.39Å; L677-C701 PolarHBondContact N-O 3.22Å; T679-C701 HydrophobicContact CG2-CB 3.75Å
702Y92.3Very high72Confident22 Ų2270.6 Ų70.69%0.08633%0.333CS..EExtended strand (participates in β ladder)trans-150.1146.8179.466.4-80.1000112.5C548 N549 F675 R700 H704 L887C548-Y702 CarbonylContact C-O 3.59Å; C548-Y702 WeakPolarHBondContact CA-O 3.43Å; C548-Y702 PolarHBondContact SG-O 2.9Å; N549-Y702 HydrophobicContact CB-CD1 3.88Å; N549-Y702 HydrophobicContact CB-CD2 4.43Å; N549-Y702 HydrophobicContact CB-CE1 3.36Å; N549-Y702 HydrophobicContact CB-CE2 4.01Å; N549-Y702 HydrophobicContact CB-CG 4.37Å; N549-Y702 VanDerWaalsContact CB-CZ 3.42Å; N549-Y702 PolarHBondContact N-O 3.29Å; N549-Y702 PolarHBondContact O-N 3.45Å; F675-Y702 CarbonylContact O-C 3.5Å; F675-Y702 WeakPolarHBondContact O-CA 3.27Å; F675-Y702 WeakPolarHBondContact O-CB 3.39Å; R700-Y702 WeakPolarHBondContact O-CD1 3.16Å; Y702-H704 AromaticContact CE2-CE1 3.47Å; Y702-H704 VanDerWaalsContact CE2-CE1 3.47Å; Y702-H704 WeakPolarHBondContact CE2-CE1 3.36Å; Y702-L887 HydrophobicContact CD1-CD1 4.2Å; Y702-L887 HydrophobicContact CD2-CD2 3.99Å; Y702-L887 HydrophobicContact CG-CD1 4.23Å; Y702-L887 HydrophobicContact CG-CD2 3.94Å
703A93.4Very high73.3Confident0 Ų060.9 Ų60.90%029%0.292CS..EExtended strand (participates in β ladder)trans-115.8137.5-17900000112.2R547 C548 F578 F675 L677 L705R547-A703 WeakPolarHBondContact O-CA 3.44Å; C548-A703 HydrophobicContact CB-CB 4.5Å; F578-A703 HydrophobicContact CZ-CB 3.96Å; F675-A703 PolarHBondContact N-O 2.69Å; F675-A703 PolarHBondContact O-N 3.12Å; L677-A703 HydrophobicContact CD1-CB 3.62Å; A703-L705 HydrophobicContact CB-CD1 4.48Å; A703-L705 HydrophobicContact CB-CD2 4.02Å; A703-L705 HydrophobicContact CB-CG 4.07Å
704H94.5Very high74.4Confident44 Ų4460.8 Ų60.820%0.20429%0.291CS..EExtended strand (participates in β ladder)trans-86.5110.6171.2-64.875.9000108.7N546 R547 N549 G673 S674 Y702N546-H704 HydrophobicContact CB-CB 4.05Å; N546-H704 WeakPolarHBondContact CB-O 3.28Å; N546-H704 PolarHBondContact N-O 2.95Å; R547-H704 HydrophobicContact CG-CB 4.27Å; R547-H704 WeakPolarHBondContact CG-ND1 3.3Å; R547-H704 PolarHBondContact NE-CE1 3.39Å; R547-H704 PolarHBondContact O-N 2.8Å; N549-H704 PolarHBondContact OD1-CE1 2.9Å; N549-H704 VanDerWaalsContact OD1-CE1 3.29Å; G673-H704 WeakPolarHBondContact O-CA 3.11Å; S674-H704 PolarHBondContact OG-CD2 3.49Å; S674-H704 VanDerWaalsContact OG-CD2 3.32Å; S674-H704 PolarHBondContact OG-NE2 2.88Å; Y702-H704 AromaticContact CE2-CE1 3.47Å; Y702-H704 VanDerWaalsContact CE2-CE1 3.47Å; Y702-H704 WeakPolarHBondContact CE2-CE1 3.36Å
705L95.2Very high75.4Confident1 Ų151.3 Ų51.31%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-122.1155.2-173.1-55.9177.2000111.9G544 I545 L625 V658 Y672 G673 F675 A703G544-L705 CarbonylContact O-C 3.47Å; G544-L705 WeakPolarHBondContact O-CA 3.45Å; I545-L705 HydrophobicContact CB-CD2 4.36Å; I545-L705 HydrophobicContact CG1-CD2 4.09Å; I545-L705 HydrophobicContact CG2-CD2 4.27Å; L625-L705 HydrophobicContact CD2-CD1 4.07Å; L625-L705 HydrophobicContact CD2-CD2 4.13Å; V658-L705 HydrophobicContact CG1-CD1 3.94Å; Y672-L705 WeakPolarHBondContact CA-O 3.3Å; G673-L705 PolarHBondContact N-O 2.94Å; G673-L705 VanDerWaalsContact N-O 3.16Å; G673-L705 PolarHBondContact O-N 2.9Å; F675-L705 HydrophobicContact CB-CD1 4.34Å; F675-L705 HydrophobicContact CD2-CB 3.74Å; F675-L705 HydrophobicContact CD2-CD1 3.98Å; F675-L705 HydrophobicContact CD2-CG 4Å; F675-L705 HydrophobicContact CE2-CB 3.84Å; F675-L705 HydrophobicContact CG-CD1 4.23Å; A703-L705 HydrophobicContact CB-CD1 4.48Å; A703-L705 HydrophobicContact CB-CD2 4.02Å; A703-L705 HydrophobicContact CB-CG 4.07Å
706S93.8Very high75.8Confident14 Ų1445.2 Ų45.210%0.09823%0.232CC..EExtended strand (participates in β ladder)trans-135.5123.9166.595.40000110.6G544 L671G544-S706 PolarHBondContact N-O 2.71Å; G544-S706 PolarHBondContact O-N 2.73Å; L671-S706 CarbonylContact O-C 3.49Å; L671-S706 WeakPolarHBondContact O-CA 3.48Å
707I94Very high76.2Confident0 Ų050.8 Ų50.80%026%0.259CS..EExtended strand (participates in β ladder)trans-130.3130.4-172.8-60157.3000109.3L541 L542 V543 L623 I660 I665 R670 L671L541-I707 HydrophobicContact CD1-CG2 3.77Å; L542-I707 WeakPolarHBondContact O-CA 3.34Å; V543-I707 HydrophobicContact CG1-CG1 4.38Å; L623-I707 HydrophobicContact CD2-CD1 3.97Å; L623-I707 HydrophobicContact CD2-CG1 4.25Å; L623-I707 HydrophobicContact CD2-CG2 3.92Å; I660-I707 HydrophobicContact CD1-CD1 3.39Å; I665-I707 HydrophobicContact CD1-CG2 4.01Å; I665-I707 HydrophobicContact CG1-CG2 4.06Å; I665-I707 HydrophobicContact CG2-CG2 3.98Å; R670-I707 CarbonylContact C-O 3.46Å; R670-I707 VanDerWaalsContact CA-O 3.3Å; R670-I707 WeakPolarHBondContact CA-O 3.49Å; L671-I707 HydrophobicContact CB-CB 4.29Å; L671-I707 PolarHBondContact N-O 3.02Å; L671-I707 PolarHBondContact O-N 3.27Å
708R91.3Very high76.4Confident91 Ų9148.4 Ų48.434%0.34324%0.242SC..EExtended strand (participates in β ladder)trans-150158.6174.571.7179.5-170.8-144.43112.3L542 R670 E710L542-R708 HydrophobicContact CB-CG 4.15Å; L542-R708 HydrophobicContact CD1-CG 4.25Å; L542-R708 PolarHBondContact N-O 3.13Å; L542-R708 PolarHBondContact O-N 2.9Å; R670-R708 HydrophobicContact CB-CB 4.2Å; R670-R708 HydrophobicContact CG-CB 4.39Å; R708-E710 IonicContact CZ-OE1 3.77Å; R708-E710 IonicContact NE-OE1 2.71Å; R708-E710 PolarHBondContact NE-OE1 3.36Å; R708-E710 IonicContact NH2-OE1 3.11Å; R708-E710 PolarHBondContact NH2-OE1 2.98Å
709I88.2Confident76.1Confident4 Ų450.3 Ų50.32%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-109.7136.2173.9-62.4168.7000109.7F539 R540 L541 L609 L662 I665 I666F539-I709 HydrophobicContact CB-CG2 3.82Å; F539-I709 HydrophobicContact CD1-CG2 3.83Å; F539-I709 HydrophobicContact CG-CG2 4.16Å; R540-I709 CarbonylContact O-C 3.4Å; R540-I709 WeakPolarHBondContact O-CA 3.35Å; L541-I709 HydrophobicContact CD1-CG1 3.88Å; L609-I709 HydrophobicContact CD2-CD1 4.37Å; L662-I709 HydrophobicContact CD1-CD1 3.91Å; I665-I709 HydrophobicContact CB-CD1 4.41Å; I665-I709 HydrophobicContact CG2-CD1 3.63Å; I665-I709 HydrophobicContact CG2-CG1 3.73Å; I666-I709 HydrophobicContact CG1-CD1 3.86Å
710E84.1Confident75.5Confident44 Ų4446.9 Ų46.921%0.20625%0.247CC..EExtended strand (participates in β ladder)trans-126130.7176.4-71.8179.2-167.600112R540 L542 R708R540-E710 HydrophobicContact CB-CB 4.39Å; R540-E710 IonicContact CZ-OE2 2.7Å; R540-E710 PolarHBondContact N-O 3.29Å; R540-E710 IonicContact NE-OE2 3.98Å; R540-E710 IonicContact NH2-OE2 3Å; R540-E710 PolarHBondContact NH2-OE2 3.31Å; R540-E710 PolarHBondContact O-N 3.5Å; L542-E710 VanDerWaalsContact CD1-CD 3.4Å; L542-E710 HydrophobicContact CD1-CG 4.1Å; L542-E710 WeakPolarHBondContact CD1-OE1 3.46Å; R708-E710 IonicContact CZ-OE1 3.77Å; R708-E710 IonicContact NE-OE1 2.71Å; R708-E710 PolarHBondContact NE-OE1 3.36Å; R708-E710 IonicContact NH2-OE1 3.11Å; R708-E710 PolarHBondContact NH2-OE1 2.98Å
711P80.1Confident74.1Confident60 Ų6048 Ų4839%0.3925%0.251SS..SBendcis-61.2160.9-13.229.6-35.7000111F539 P713F539-P711 HydrophobicContact CD1-CG 4.08Å; F539-P711 VanDerWaalsContact CD1-O 3.29Å; F539-P711 WeakPolarHBondContact CD1-O 3.22Å; F539-P711 HydrophobicContact CE1-CG 4.01Å; P711-P713 VanDerWaalsContact O-CD 3.3Å; P711-P713 WeakPolarHBondContact O-CD 3.47Å
712I74.3Confident72.6Confident79 Ų7951.9 Ų51.941%0.40527%0.271SS..PPolyproline II helixtrans-65.6119.4175-63.1171000107.7K669 H714K669-I712 HydrophobicContact CB-CD1 4.3Å; K669-I712 HydrophobicContact CB-CG2 4.49Å; K669-I712 HydrophobicContact CG-CG2 4.12Å; I712-H714 PolarHBondContact O-N 3.14Å; I712-H714 VanDerWaalsContact O-N 3.12Å; I712-H714 PolarHBondContact O-ND1 3.26Å
713P68.2Low71.1Confident11 Ų1154.4 Ų54.47%0.07128%0.282CS..PPolyproline II helixtrans-64.7117.3179.525.5-32.5000109.3F539 L609 I666 P711F539-P713 HydrophobicContact CE1-CB 3.8Å; F539-P713 HydrophobicContact CZ-CB 4.12Å; L609-P713 HydrophobicContact CD1-CB 3.69Å; L609-P713 HydrophobicContact CD1-CG 3.73Å; I666-P713 HydrophobicContact CB-CG 4.46Å; I666-P713 HydrophobicContact CD1-CG 4.24Å; I666-P713 HydrophobicContact CG1-CG 3.87Å; I666-P713 HydrophobicContact CG2-CG 3.91Å; P711-P713 VanDerWaalsContact O-CD 3.3Å; P711-P713 WeakPolarHBondContact O-CD 3.47Å
714H60.2Low69.6Low125 Ų12558.2 Ų58.258%0.57930%0.3SS*.PPolyproline II helixtrans-80.9121.5169.5-71.156.9000107.3I712I712-H714 PolarHBondContact O-N 3.14Å; I712-H714 VanDerWaalsContact O-N 3.12Å; I712-H714 PolarHBondContact O-ND1 3.26Å
715I58.6Low68.1Low56 Ų5658.3 Ų58.329%0.28731%0.313SS..  trans-120140.3174.122170.9000108.9L529 F617 I666 P808L529-I715 HydrophobicContact CD1-CG2 4.45Å; F617-I715 HydrophobicContact CE1-CD1 4.14Å; F617-I715 HydrophobicContact CZ-CD1 4.34Å; I666-I715 HydrophobicContact CG2-CD1 3.62Å; I666-I715 HydrophobicContact CG2-CG1 4.18Å; I715-P808 HydrophobicContact CB-CB 3.76Å; I715-P808 HydrophobicContact CB-CG 3.59Å; I715-P808 HydrophobicContact CD1-CB 4.06Å; I715-P808 HydrophobicContact CD1-CG 4.38Å; I715-P808 HydrophobicContact CG1-CB 4.3Å; I715-P808 HydrophobicContact CG2-CB 4.4Å; I715-P808 HydrophobicContact CG2-CG 3.72Å
716G46.3Very low67.3Low22 Ų2259.3 Ų59.323%0.22732%0.318CS..  trans-91.1152.6-164.900000112.4P808G716-P808 VanDerWaalsContact O-CB 3.3Å; G716-P808 WeakPolarHBondContact O-CB 3.45Å; G716-P808 WeakPolarHBondContact O-CG 3.39Å
717Q48Very low66.6Low171 Ų17162 Ų6280%0.79933%0.331SS*.  trans-65.8140.3167.6-57.2-164.3-98.200109.3E809Q717-E809 VanDerWaalsContact CA-OE2 3.3Å; Q717-E809 WeakPolarHBondContact CA-OE2 3.4Å; Q717-E809 WeakPolarHBondContact CB-OE1 3.27Å; Q717-E809 WeakPolarHBondContact CB-OE2 3.07Å; Q717-E809 VanDerWaalsContact CG-OE1 3.3Å; Q717-E809 WeakPolarHBondContact CG-OE1 3.28Å; Q717-E809 PolarHBondContact NE2-OE1 3.35Å
718V48.2Very low66Low40 Ų4069.6 Ų69.624%0.24237%0.366CS..  trans-127.3107.1-175.5178.50000107T488 I720 E809T488-V718 HydrophobicContact CG2-CG1 4.23Å; V718-I720 PolarHBondContact O-N 3.15Å; V718-E809 PolarHBondContact N-OE2 2.82Å
719A47.9Very low65.7Low83 Ų8371 Ų7169%0.68638%0.377SS*.  trans-58.1103-177.300000111.7
720I55.1Low65.6Low50 Ų5070.8 Ų70.826%0.25638%0.376SS..  trans-71.7132.9178.2-67.2153.9000109.3L487 T488 V718 L722 F755 E809 V811L487-I720 HydrophobicContact CB-CG2 4.49Å; L487-I720 WeakPolarHBondContact O-CA 3.43Å; T488-I720 HydrophobicContact CG2-CG1 4.42Å; V718-I720 PolarHBondContact O-N 3.15Å; I720-L722 PolarHBondContact O-N 3.14Å; I720-L722 VanDerWaalsContact O-N 3.17Å; I720-F755 HydrophobicContact CG2-CE2 4.31Å; I720-F755 HydrophobicContact CG2-CZ 3.78Å; I720-E809 HydrophobicContact CD1-CB 4.24Å; I720-V811 HydrophobicContact CB-CG2 4.49Å; I720-V811 HydrophobicContact CD1-CG2 3.56Å; I720-V811 HydrophobicContact CG1-CG2 3.74Å; I720-V811 HydrophobicContact CG2-CG2 3.88Å
721R53.4Low65.5Low82 Ų8269.2 Ų69.231%0.30937%0.369SS..  trans-70.7105.2166.9-70.6179.5169.3158.1-2.5109.4L487 H489 H490 K491 F723L487-R721 WeakPolarHBondContact CD2-O 3.26Å; L487-R721 PolarHBondContact O-N 3.44Å; H489-R721 PolarHBondContact O-NH1 3.37Å; H490-R721 PolarHBondContact O-NH2 3.31Å; K491-R721 PolarHBondContact O-NH1 3.36Å; R721-F723 HydrophobicContact CB-CD2 4.17Å; R721-F723 HydrophobicContact CB-CE2 3.72Å; R721-F723 PolarHBondContact O-N 3.35Å
722L58.7Low65.8Low90 Ų9070 Ų7047%0.47138%0.376SS..  trans-75.9114.4172.9-67.6169.8000110.1I720 H724 F755I720-L722 PolarHBondContact O-N 3.14Å; I720-L722 VanDerWaalsContact O-N 3.17Å; L722-H724 WeakPolarHBondContact CB-NE2 3.19Å; L722-F755 HydrophobicContact CD2-CZ 4.01Å
723F59Low66.6Low75 Ų7568.3 Ų68.333%0.32936%0.364SS..  trans-104.8142.8164.4-72.8-94.1000108.8W486 L487 R721 G759 S761W486-F723 HydrophobicContact CH2-CD1 4.28Å; W486-F723 AromaticContact CH2-CD2 3.43Å; W486-F723 HydrophobicContact CH2-CD2 3.43Å; W486-F723 VanDerWaalsContact CH2-CD2 3.43Å; W486-F723 AromaticContact CH2-CE1 4Å; W486-F723 HydrophobicContact CH2-CE1 4Å; W486-F723 AromaticContact CH2-CE2 3.06Å; W486-F723 HydrophobicContact CH2-CE2 3.06Å; W486-F723 HydrophobicContact CH2-CG 4.03Å; W486-F723 AromaticContact CH2-CZ 3.39Å; W486-F723 HydrophobicContact CH2-CZ 3.39Å; W486-F723 HydrophobicContact CZ2-CD2 4.41Å; W486-F723 HydrophobicContact CZ2-CE1 4.45Å; W486-F723 AromaticContact CZ2-CE2 3.63Å; W486-F723 HydrophobicContact CZ2-CE2 3.63Å; W486-F723 AromaticContact CZ2-CZ 3.65Å; W486-F723 HydrophobicContact CZ2-CZ 3.65Å; W486-F723 AromaticContact CZ3-CD2 3.66Å; W486-F723 HydrophobicContact CZ3-CD2 3.66Å; W486-F723 AromaticContact CZ3-CE2 3.62Å; W486-F723 HydrophobicContact CZ3-CE2 3.62Å; W486-F723 HydrophobicContact CZ3-CG 4.43Å; W486-F723 HydrophobicContact CZ3-CZ 4.37Å; L487-F723 HydrophobicContact CD2-CD2 4.36Å; R721-F723 HydrophobicContact CB-CD2 4.17Å; R721-F723 HydrophobicContact CB-CE2 3.72Å; R721-F723 PolarHBondContact O-N 3.35Å; F723-G759 WeakPolarHBondContact CB-O 3.17Å; F723-S761 WeakPolarHBondContact O-CB 3.11Å; F723-S761 PolarHBondContact O-N 3.28Å
724H61.7Low67.6Low80 Ų8067.8 Ų67.837%0.3736%0.361SS..BIsolated β-bridgetrans-129.2122.3-162.2-74.4-52.5000111L722 I731 S761L722-H724 WeakPolarHBondContact CB-NE2 3.19Å; H724-I731 HydrophobicContact CB-CD1 3.51Å; H724-I731 VanDerWaalsContact CE1-CG2 3.45Å; H724-I731 WeakPolarHBondContact CE1-CG2 3.48Å; H724-I731 WeakPolarHBondContact ND1-CD1 3.41Å; H724-S761 WeakPolarHBondContact ND1-CB 3.44Å
725G63.8Low68.8Low46 Ų4665 Ų6547%0.47435%0.348SS..SBendtrans-105.87.1170.100000113.3S761G725-S761 PolarHBondContact N-O 3.34Å
726E78.4Confident70.3Confident23 Ų2365.8 Ų65.811%0.10736%0.359CS..SBendtrans-108162.8178.2-61.8-70.1-179.100110L730 I731 F753 S761 F763 R766E726-L730 HydrophobicContact CB-CD2 4.21Å; E726-L730 HydrophobicContact CG-CD2 4.43Å; E726-I731 HydrophobicContact CB-CD1 3.97Å; E726-I731 HydrophobicContact CB-CG1 4.05Å; E726-I731 VanDerWaalsContact O-CD1 3.26Å; E726-I731 WeakPolarHBondContact O-CD1 3.47Å; E726-F753 HydrophobicContact CG-CE1 4.5Å; E726-S761 WeakPolarHBondContact CG-O 3.42Å; E726-F763 PolarHBondContact OE1-N 2.97Å; E726-R766 WeakPolarHBondContact OE1-CD 3.45Å; E726-R766 IonicContact OE1-CZ 3.3Å; E726-R766 IonicContact OE1-NE 3.31Å; E726-R766 IonicContact OE1-NH1 3.96Å; E726-R766 PolarHBondContact OE1-NH1 3.47Å; E726-R766 IonicContact OE2-NH1 3.72Å; E726-R766 PolarHBondContact OE2-NH1 2.87Å
727D80Confident72.4Confident70 Ų7065.3 Ų65.337%0.37435%0.35SS..  trans-61.7140.9174.5170.151.7000112.7Q729 L730 I731 R936D727-Q729 PolarHBondContact O-N 2.93Å; D727-Q729 WeakPolarHBondContact OD2-CB 3.43Å; D727-Q729 WeakPolarHBondContact OD2-CG 3.23Å; D727-Q729 PolarHBondContact OD2-N 3.41Å; D727-L730 HydrophobicContact CB-CB 4.42Å; D727-L730 WeakPolarHBondContact O-CB 3.23Å; D727-L730 PolarHBondContact O-N 2.93Å; D727-I731 WeakPolarHBondContact O-CD1 3.39Å; D727-I731 PolarHBondContact O-N 2.91Å; D727-I731 VanDerWaalsContact O-N 3.09Å; D727-R936 IonicContact OD2-CZ 3.5Å; D727-R936 IonicContact OD2-NH1 3.9Å; D727-R936 PolarHBondContact OD2-NH1 3.11Å; D727-R936 IonicContact OD2-NH2 3.14Å
728E80.3Confident74.4Confident160 Ų16059 Ų5975%0.74832%0.322SS*.Hα-helixtrans-59.3-34.4-177.2-172.4175.7-170.800112.1I731 S732E728-I731 PolarHBondContact O-N 2.77Å; E728-S732 WeakPolarHBondContact O-CB 3.38Å; E728-S732 PolarHBondContact O-N 3.15Å
729Q85Confident76.3Confident119 Ų11962.9 Ų62.956%0.55634%0.335SS*.Hα-helixtrans-68.7-39.7177.4-45.9179.9-5.900111.6D727 I731 S732 Y733D727-Q729 PolarHBondContact O-N 2.93Å; D727-Q729 WeakPolarHBondContact OD2-CB 3.43Å; D727-Q729 WeakPolarHBondContact OD2-CG 3.23Å; D727-Q729 PolarHBondContact OD2-N 3.41Å; Q729-I731 VanDerWaalsContact C-N 3.35Å; Q729-S732 PolarHBondContact O-N 3.19Å; Q729-Y733 VanDerWaalsContact O-CB 3.25Å; Q729-Y733 WeakPolarHBondContact O-CB 3.48Å; Q729-Y733 PolarHBondContact O-N 3.16Å
730L86.9Confident78.4Confident1 Ų161.5 Ų61.51%0.00532%0.321CS..Hα-helixtrans-62.4-43.3176174.657.6000111E726 D727 G734 F753 F763 F928 W929 F933 L938E726-L730 HydrophobicContact CB-CD2 4.21Å; E726-L730 HydrophobicContact CG-CD2 4.43Å; D727-L730 HydrophobicContact CB-CB 4.42Å; D727-L730 WeakPolarHBondContact O-CB 3.23Å; D727-L730 PolarHBondContact O-N 2.93Å; L730-G734 PolarHBondContact O-N 2.84Å; L730-F753 HydrophobicContact CG-CE1 4.15Å; L730-F753 HydrophobicContact CG-CZ 4.29Å; L730-F763 HydrophobicContact CD2-CB 4.45Å; L730-F928 HydrophobicContact CD1-CE1 3.46Å; L730-F928 VanDerWaalsContact CD1-CE1 3.46Å; L730-F928 HydrophobicContact CD1-CZ 3.63Å; L730-W929 HydrophobicContact CD1-CH2 3.66Å; L730-W929 HydrophobicContact CD1-CZ2 4.42Å; L730-W929 HydrophobicContact CD1-CZ3 4.13Å; L730-F933 HydrophobicContact CD1-CE1 3.95Å; L730-L938 HydrophobicContact CD2-CD1 3.75Å; L730-L938 HydrophobicContact CD2-CD2 4.41Å
731I82.8Confident80.1Confident11 Ų1159.2 Ų59.26%0.05631%0.309CS..Hα-helixtrans-66.2-48.6176.8-67.7150.9000111.2H724 E726 D727 E728 Q729 G734 Q735H724-I731 HydrophobicContact CB-CD1 3.51Å; H724-I731 VanDerWaalsContact CE1-CG2 3.45Å; H724-I731 WeakPolarHBondContact CE1-CG2 3.48Å; H724-I731 WeakPolarHBondContact ND1-CD1 3.41Å; E726-I731 HydrophobicContact CB-CD1 3.97Å; E726-I731 HydrophobicContact CB-CG1 4.05Å; E726-I731 VanDerWaalsContact O-CD1 3.26Å; E726-I731 WeakPolarHBondContact O-CD1 3.47Å; D727-I731 WeakPolarHBondContact O-CD1 3.39Å; D727-I731 PolarHBondContact O-N 2.91Å; D727-I731 VanDerWaalsContact O-N 3.09Å; E728-I731 PolarHBondContact O-N 2.77Å; Q729-I731 VanDerWaalsContact C-N 3.35Å; I731-G734 PolarHBondContact O-N 3.46Å; I731-Q735 HydrophobicContact CG2-CG 4.46Å; I731-Q735 WeakPolarHBondContact O-CB 3.31Å; I731-Q735 WeakPolarHBondContact O-CG 3.13Å; I731-Q735 PolarHBondContact O-N 3.17Å
732S85.4Confident81.6Confident77 Ų7757.9 Ų57.954%0.53831%0.312SS..Hα-helixtrans-61.4-46-179.5-174.80000111.4E728 Q729 S736E728-S732 WeakPolarHBondContact O-CB 3.38Å; E728-S732 PolarHBondContact O-N 3.15Å; Q729-S732 PolarHBondContact O-N 3.19Å; S732-S736 WeakPolarHBondContact O-CB 3.3Å; S732-S736 PolarHBondContact O-N 2.76Å
733Y90.5Very high82.9Confident42 Ų4262.2 Ų62.217%0.16533%0.327CS..Hα-helixtrans-59.8-50.5172.4177.8-99.7000111.6Q729 Q735 S736 W737 F928 F933Q729-Y733 VanDerWaalsContact O-CB 3.25Å; Q729-Y733 WeakPolarHBondContact O-CB 3.48Å; Q729-Y733 PolarHBondContact O-N 3.16Å; Y733-Q735 PolarHBondContact O-N 2.77Å; Y733-S736 CarbonylContact O-C 3.46Å; Y733-S736 WeakPolarHBondContact O-CA 3.34Å; Y733-S736 VanDerWaalsContact O-CB 3.3Å; Y733-S736 WeakPolarHBondContact O-CB 3.47Å; Y733-S736 PolarHBondContact O-N 3.18Å; Y733-W737 HydrophobicContact CE1-CB 4.45Å; Y733-W737 WeakPolarHBondContact O-CB 3.14Å; Y733-W737 PolarHBondContact O-N 3.02Å; Y733-F928 HydrophobicContact CD1-CD1 4.35Å; Y733-F928 AromaticContact CD1-CE1 3.76Å; Y733-F928 HydrophobicContact CD1-CE1 3.76Å; Y733-F928 HydrophobicContact CD1-CE2 4.3Å; Y733-F928 AromaticContact CD1-CZ 3.73Å; Y733-F928 HydrophobicContact CD1-CZ 3.73Å; Y733-F928 HydrophobicContact CE1-CD1 4.04Å; Y733-F928 AromaticContact CE1-CE1 3.92Å; Y733-F928 HydrophobicContact CE1-CE1 3.92Å; Y733-F928 HydrophobicContact CE1-CE2 4.43Å; Y733-F928 HydrophobicContact CE1-CG 4.32Å; Y733-F928 HydrophobicContact CE1-CZ 4.13Å; Y733-F928 WeakPolarHBondContact CE1-O 3.21Å; Y733-F928 PolarHBondContact OH-O 3.05Å; Y733-F933 HydrophobicContact CD1-CB 4.1Å; Y733-F933 AromaticContact CD1-CD1 3.3Å; Y733-F933 HydrophobicContact CD1-CD1 3.3Å; Y733-F933 AromaticContact CD1-CE1 3.75Å; Y733-F933 HydrophobicContact CD1-CE1 3.75Å; Y733-F933 AromaticContact CD1-CG 3.76Å; Y733-F933 HydrophobicContact CD1-CG 3.76Å; Y733-F933 HydrophobicContact CD2-CB 3.79Å; Y733-F933 HydrophobicContact CD2-CD1 4.22Å; Y733-F933 HydrophobicContact CD2-CD2 4.09Å; Y733-F933 AromaticContact CD2-CG 3.8Å; Y733-F933 HydrophobicContact CD2-CG 3.8Å; Y733-F933 HydrophobicContact CE1-CB 3.81Å; Y733-F933 AromaticContact CE1-CD1 3.64Å; Y733-F933 HydrophobicContact CE1-CD1 3.64Å; Y733-F933 HydrophobicContact CE1-CE1 4.49Å; Y733-F933 AromaticContact CE1-CG 3.97Å; Y733-F933 HydrophobicContact CE1-CG 3.97Å; Y733-F933 HydrophobicContact CE2-CB 3.48Å; Y733-F933 VanDerWaalsContact CE2-CB 3.48Å; Y733-F933 HydrophobicContact CE2-CD1 4.49Å; Y733-F933 HydrophobicContact CE2-CG 4.01Å; Y733-F933 HydrophobicContact CG-CB 4.09Å; Y733-F933 AromaticContact CG-CD1 3.63Å; Y733-F933 HydrophobicContact CG-CD1 3.63Å; Y733-F933 HydrophobicContact CG-CD2 4.05Å; Y733-F933 AromaticContact CG-CE1 3.95Å; Y733-F933 HydrophobicContact CG-CE1 3.95Å; Y733-F933 HydrophobicContact CG-CE2 4.36Å; Y733-F933 AromaticContact CG-CG 3.67Å; Y733-F933 HydrophobicContact CG-CG 3.67Å; Y733-F933 HydrophobicContact CG-CZ 4.32Å; Y733-F933 VanDerWaalsContact CZ-CB 3.48Å
734G88.8Confident84.2Confident0 Ų067 Ų670%034%0.343CS..Hα-helixtrans-66-34.8-177.300000113.9L730 I731 W737 L738 F928L730-G734 PolarHBondContact O-N 2.84Å; I731-G734 PolarHBondContact O-N 3.46Å; G734-W737 PolarHBondContact O-N 2.85Å; G734-L738 WeakPolarHBondContact O-CG 3.42Å; G734-L738 PolarHBondContact O-N 2.86Å; G734-F928 VanDerWaalsContact CA-CE2 3.49Å
735Q86.2Confident85.3Confident66 Ų6665.5 Ų65.531%0.30834%0.336SS..Hα-helixtrans-63.4-41.5168.4-75.2-169.630.900111.7I731 Y733 K739I731-Q735 HydrophobicContact CG2-CG 4.46Å; I731-Q735 WeakPolarHBondContact O-CB 3.31Å; I731-Q735 WeakPolarHBondContact O-CG 3.13Å; I731-Q735 PolarHBondContact O-N 3.17Å; Y733-Q735 PolarHBondContact O-N 2.77Å; Q735-K739 VanDerWaalsContact O-CB 3.3Å; Q735-K739 WeakPolarHBondContact O-CB 3.41Å; Q735-K739 VanDerWaalsContact O-CD 3.28Å; Q735-K739 WeakPolarHBondContact O-CD 3.22Å; Q735-K739 WeakPolarHBondContact O-CG 3.41Å; Q735-K739 PolarHBondContact O-N 2.85Å
736S89.3Confident85.9Confident74 Ų7473.1 Ų73.152%0.51735%0.35SS..Hα-helixtrans-64.3-42.8176.4-166.50000111.6S732 Y733 K739 S740S732-S736 WeakPolarHBondContact O-CB 3.3Å; S732-S736 PolarHBondContact O-N 2.76Å; Y733-S736 CarbonylContact O-C 3.46Å; Y733-S736 WeakPolarHBondContact O-CA 3.34Å; Y733-S736 VanDerWaalsContact O-CB 3.3Å; Y733-S736 WeakPolarHBondContact O-CB 3.47Å; Y733-S736 PolarHBondContact O-N 3.18Å; S736-K739 CarbonylContact O-C 3.47Å; S736-K739 PolarHBondContact O-N 2.87Å; S736-S740 WeakPolarHBondContact O-CB 3.35Å; S736-S740 PolarHBondContact O-N 3.33Å
737W91.8Very high85.9Confident11 Ų1181.7 Ų81.74%0.04238%0.383CS..Hα-helixtrans-58.1-54.8175-172.488000110.9Y733 G734 K739 S740 L741 A752 I902 A904 P927 F928Y733-W737 HydrophobicContact CE1-CB 4.45Å; Y733-W737 WeakPolarHBondContact O-CB 3.14Å; Y733-W737 PolarHBondContact O-N 3.02Å; G734-W737 PolarHBondContact O-N 2.85Å; W737-K739 PolarHBondContact O-N 2.84Å; W737-S740 WeakPolarHBondContact O-CA 3.48Å; W737-S740 WeakPolarHBondContact O-CB 3.49Å; W737-S740 PolarHBondContact O-N 2.76Å; W737-S740 PolarHBondContact O-OG 2.85Å; W737-L741 HydrophobicContact CD2-CD1 3.7Å; W737-L741 HydrophobicContact CE3-CD1 3.49Å; W737-L741 VanDerWaalsContact CE3-CD1 3.49Å; W737-L741 HydrophobicContact CH2-CD1 3.85Å; W737-L741 HydrophobicContact CZ2-CD1 4.03Å; W737-L741 HydrophobicContact CZ3-CD1 3.55Å; W737-L741 WeakPolarHBondContact O-CG 3.1Å; W737-L741 PolarHBondContact O-N 2.58Å; W737-A752 HydrophobicContact CE3-CB 4.26Å; W737-A752 HydrophobicContact CZ3-CB 4Å; W737-I902 HydrophobicContact CH2-CG2 4.26Å; W737-A904 HydrophobicContact CH2-CB 3.64Å; W737-A904 HydrophobicContact CZ2-CB 3.71Å; W737-A904 HydrophobicContact CZ3-CB 4.44Å; W737-P927 PolarHBondContact NE1-O 3.35Å; W737-F928 AromaticContact CD2-CD2 3.77Å; W737-F928 HydrophobicContact CD2-CD2 3.77Å; W737-F928 HydrophobicContact CD2-CE2 4.45Å; W737-F928 AromaticContact CE3-CD2 3.8Å; W737-F928 HydrophobicContact CE3-CD2 3.8Å; W737-F928 HydrophobicContact CE3-CE2 4.34Å; W737-F928 HydrophobicContact CG-CD2 4.2Å; W737-F928 HydrophobicContact CH2-CB 4.41Å; W737-F928 HydrophobicContact CH2-CD2 4.33Å; W737-F928 HydrophobicContact CZ2-CB 3.94Å; W737-F928 HydrophobicContact CZ2-CD2 4.3Å; W737-F928 HydrophobicContact CZ3-CD2 4.1Å
738L89.6Confident86.2Confident38 Ų3879.1 Ų79.120%0.19937%0.368CS..Hα-helixtrans-57.2-45.9174.6-70.2173.4000112.3G734 S740 L741 C742 A752G734-L738 WeakPolarHBondContact O-CG 3.42Å; G734-L738 PolarHBondContact O-N 2.86Å; L738-S740 PolarHBondContact O-N 3.06Å; L738-L741 PolarHBondContact O-N 2.97Å; L738-C742 PolarHBondContact O-N 2.67Å; L738-C742 PolarHBondContact O-SG 2.87Å; L738-C742 VanDerWaalsContact O-SG 3.34Å; L738-A752 HydrophobicContact CD1-CB 4.12Å; L738-A752 HydrophobicContact CD2-CB 4.16Å; L738-A752 HydrophobicContact CG-CB 4.2Å
739K88Confident86.3Confident122 Ų12273.6 Ų73.653%0.5334%0.344SS..Hα-helixtrans-59.8-31.2175-72.4162.6-167.6164.60112.2Q735 S736 W737 K743Q735-K739 VanDerWaalsContact O-CB 3.3Å; Q735-K739 WeakPolarHBondContact O-CB 3.41Å; Q735-K739 VanDerWaalsContact O-CD 3.28Å; Q735-K739 WeakPolarHBondContact O-CD 3.22Å; Q735-K739 WeakPolarHBondContact O-CG 3.41Å; Q735-K739 PolarHBondContact O-N 2.85Å; S736-K739 CarbonylContact O-C 3.47Å; S736-K739 PolarHBondContact O-N 2.87Å; W737-K739 PolarHBondContact O-N 2.84Å; K739-K743 VanDerWaalsContact O-CG 3.29Å; K739-K743 WeakPolarHBondContact O-CG 3.26Å; K739-K743 PolarHBondContact O-N 2.83Å
740S91.1Very high86.5Confident54 Ų5468.8 Ų68.838%0.37832%0.321SS..Hα-helixtrans-75.2-36.3176.685.10000113S736 W737 L738S736-S740 WeakPolarHBondContact O-CB 3.35Å; S736-S740 PolarHBondContact O-N 3.33Å; W737-S740 WeakPolarHBondContact O-CA 3.48Å; W737-S740 WeakPolarHBondContact O-CB 3.49Å; W737-S740 PolarHBondContact O-N 2.76Å; W737-S740 PolarHBondContact O-OG 2.85Å; L738-S740 PolarHBondContact O-N 3.06Å
741L91.1Very high86.6Confident2 Ų269.5 Ų69.51%0.0133%0.325CS..Hα-helixtrans-71.6-47.5178.3-65169.8000111.2W737 L738 K743 R744 H745 Y750 A904 M906 V926W737-L741 HydrophobicContact CD2-CD1 3.7Å; W737-L741 HydrophobicContact CE3-CD1 3.49Å; W737-L741 VanDerWaalsContact CE3-CD1 3.49Å; W737-L741 HydrophobicContact CH2-CD1 3.85Å; W737-L741 HydrophobicContact CZ2-CD1 4.03Å; W737-L741 HydrophobicContact CZ3-CD1 3.55Å; W737-L741 WeakPolarHBondContact O-CG 3.1Å; W737-L741 PolarHBondContact O-N 2.58Å; L738-L741 PolarHBondContact O-N 2.97Å; L741-K743 PolarHBondContact O-N 3.14Å; L741-R744 WeakPolarHBondContact O-CA 3.38Å; L741-R744 PolarHBondContact O-N 2.84Å; L741-H745 PolarHBondContact O-N 3.36Å; L741-Y750 HydrophobicContact CB-CD2 3.7Å; L741-Y750 HydrophobicContact CB-CE1 4.48Å; L741-Y750 HydrophobicContact CB-CE2 3.62Å; L741-Y750 HydrophobicContact CB-CG 4.15Å; L741-Y750 HydrophobicContact CD1-CD1 4.05Å; L741-Y750 HydrophobicContact CD1-CD2 4.47Å; L741-Y750 HydrophobicContact CD1-CE1 4.38Å; L741-Y750 HydrophobicContact CD1-CG 4.08Å; L741-A904 HydrophobicContact CD1-CB 3.38Å; L741-A904 HydrophobicContact CD2-CB 3.61Å; L741-A904 HydrophobicContact CG-CB 4.14Å; L741-M906 HydrophobicContact CD2-SD 3.55Å; L741-M906 VanDerWaalsContact CD2-SD 3.55Å; L741-V926 HydrophobicContact CD2-CB 4.44Å; L741-V926 HydrophobicContact CD2-CG1 4.47Å
742C85.1Confident86.9Confident55 Ų5569 Ų6937%0.37232%0.323SS..Hα-helixtrans-64.5-21.6178.8-63.90000113.6L738 R744 R746L738-C742 PolarHBondContact O-N 2.67Å; L738-C742 PolarHBondContact O-SG 2.87Å; L738-C742 VanDerWaalsContact O-SG 3.34Å; C742-R744 VanDerWaalsContact C-N 3.29Å; C742-R746 VanDerWaalsContact O-CA 3.28Å; C742-R746 WeakPolarHBondContact O-CA 3Å; C742-R746 PolarHBondContact O-N 3.04Å
743K86.7Confident87.1Confident181 Ų18167 Ų6779%0.78730%0.304SS*.THydrogen-bonded Turntrans-67.4-27.3169.1-79.2171.5-177.4-178.40113K739 L741K739-K743 VanDerWaalsContact O-CG 3.29Å; K739-K743 WeakPolarHBondContact O-CG 3.26Å; K739-K743 PolarHBondContact O-N 2.83Å; L741-K743 PolarHBondContact O-N 3.14Å
744R85.1Confident86.9Confident176 Ų17665.1 Ų65.166%0.66430%0.297SS*.THydrogen-bonded Turntrans-96.9-43.5-178.1-64.1-179.9176178.5-2.9112.1L741 C742 M906L741-R744 WeakPolarHBondContact O-CA 3.38Å; L741-R744 PolarHBondContact O-N 2.84Å; C742-R744 VanDerWaalsContact C-N 3.29Å; R744-M906 HydrophobicContact CB-CE 3.73Å; R744-M906 HydrophobicContact CG-CE 4.21Å
745H84.4Confident86.7Confident47 Ų4765.9 Ų65.922%0.21830%0.301CS..  trans-127.580.8178.9-71.9-65.5000110.5L741 Y747 R748 Y750 M906L741-H745 PolarHBondContact O-N 3.36Å; H745-Y747 PolarHBondContact O-N 3.02Å; H745-Y747 VanDerWaalsContact O-N 3.12Å; H745-R748 HydrophobicContact CB-CB 3.94Å; H745-R748 PolarHBondContact O-N 2.88Å; H745-Y750 HydrophobicContact CB-CE2 4Å; H745-Y750 PolarHBondContact CD2-OH 3.4Å; H745-Y750 VanDerWaalsContact CD2-OH 3.3Å; H745-M906 PolarHBondContact NE2-O 3.41Å
746R78Confident86.6Confident207 Ų20763.3 Ų63.378%0.78129%0.289SS*.THydrogen-bonded Turntrans-61.9-20.8-170.2-173.3171.8-179.6171.22.1115.9C742C742-R746 VanDerWaalsContact O-CA 3.28Å; C742-R746 WeakPolarHBondContact O-CA 3Å; C742-R746 PolarHBondContact O-N 3.04Å
747Y77.6Confident86Confident203 Ų20360.8 Ų60.880%0.79627%0.269SS*.THydrogen-bonded Turntrans-108.4-3.2-176-56.4-65.1000114.1H745H745-Y747 PolarHBondContact O-N 3.02Å; H745-Y747 VanDerWaalsContact O-N 3.12Å
748R86.1Confident85.3Confident15 Ų1563.5 Ų63.56%0.05728%0.282CS..SBendtrans-84126.5179.4174.8163.3-76.1158.44.7109.3H745 Y750 D892 A894 N905 Q907 S909H745-R748 HydrophobicContact CB-CB 3.94Å; H745-R748 PolarHBondContact O-N 2.88Å; R748-Y750 VanDerWaalsContact C-N 3.31Å; R748-Y750 HydrophobicContact CB-CD2 4.28Å; R748-Y750 HydrophobicContact CB-CE2 3.81Å; R748-Y750 WeakPolarHBondContact CD-OH 2.9Å; R748-Y750 HydrophobicContact CG-CD1 4.12Å; R748-Y750 HydrophobicContact CG-CD2 4.17Å; R748-Y750 HydrophobicContact CG-CE1 3.75Å; R748-Y750 HydrophobicContact CG-CE2 3.81Å; R748-Y750 HydrophobicContact CG-CG 4.34Å; R748-Y750 VanDerWaalsContact O-CD2 3.29Å; R748-Y750 WeakPolarHBondContact O-CD2 3.35Å; R748-Y750 PolarHBondContact O-N 2.88Å; R748-D892 WeakPolarHBondContact CG-OD2 3.5Å; R748-D892 IonicContact CZ-OD1 2.91Å; R748-D892 VanDerWaalsContact CZ-OD1 3.27Å; R748-D892 IonicContact NE-OD1 3.14Å; R748-D892 PolarHBondContact NE-OD1 3.05Å; R748-D892 IonicContact NE-OD2 2.74Å; R748-D892 PolarHBondContact NE-OD2 2.79Å; R748-D892 IonicContact NH2-OD1 3.01Å; R748-D892 PolarHBondContact NH2-OD1 2.72Å; R748-A894 HydrophobicContact CG-CB 3.54Å; R748-N905 WeakPolarHBondContact CD-O 3.42Å; R748-N905 VanDerWaalsContact CZ-ND2 3.31Å; R748-N905 PolarHBondContact NH1-ND2 3.33Å; R748-N905 PolarHBondContact NH1-O 3.44Å; R748-N905 PolarHBondContact NH2-ND2 3.36Å; R748-Q907 PolarHBondContact NH1-O 2.64Å; R748-Q907 PolarHBondContact NH2-O 3.22Å; R748-S909 PolarHBondContact NH2-O 3.1Å
749N82.9Confident84.5Confident45 Ų4561.8 Ų61.824%0.24127%0.274CS..  trans-84.771.3-168.3-151.524.8000111.8P858 Y859 A894N749-P858 PolarHBondContact ND2-O 3.44Å; N749-Y859 WeakPolarHBondContact ND2-CD1 3.43Å; N749-Y859 WeakPolarHBondContact ND2-CE1 2.83Å; N749-A894 VanDerWaalsContact O-CB 3.24Å; N749-A894 WeakPolarHBondContact O-CB 3.48Å
750Y89.7Confident84.1Confident17 Ų1761.7 Ų61.77%0.06727%0.27CS..  trans-68.8128.5-179.8-61.7-73000111.9L741 H745 R748 A894 A904 N905L741-Y750 HydrophobicContact CB-CD2 3.7Å; L741-Y750 HydrophobicContact CB-CE1 4.48Å; L741-Y750 HydrophobicContact CB-CE2 3.62Å; L741-Y750 HydrophobicContact CB-CG 4.15Å; L741-Y750 HydrophobicContact CD1-CD1 4.05Å; L741-Y750 HydrophobicContact CD1-CD2 4.47Å; L741-Y750 HydrophobicContact CD1-CE1 4.38Å; L741-Y750 HydrophobicContact CD1-CG 4.08Å; H745-Y750 HydrophobicContact CB-CE2 4Å; H745-Y750 PolarHBondContact CD2-OH 3.4Å; H745-Y750 VanDerWaalsContact CD2-OH 3.3Å; R748-Y750 VanDerWaalsContact C-N 3.31Å; R748-Y750 HydrophobicContact CB-CD2 4.28Å; R748-Y750 HydrophobicContact CB-CE2 3.81Å; R748-Y750 WeakPolarHBondContact CD-OH 2.9Å; R748-Y750 HydrophobicContact CG-CD1 4.12Å; R748-Y750 HydrophobicContact CG-CD2 4.17Å; R748-Y750 HydrophobicContact CG-CE1 3.75Å; R748-Y750 HydrophobicContact CG-CE2 3.81Å; R748-Y750 HydrophobicContact CG-CG 4.34Å; R748-Y750 VanDerWaalsContact O-CD2 3.29Å; R748-Y750 WeakPolarHBondContact O-CD2 3.35Å; R748-Y750 PolarHBondContact O-N 2.88Å; Y750-A894 HydrophobicContact CD1-CB 4.36Å; Y750-A894 WeakPolarHBondContact CD1-O 3.44Å; Y750-A894 WeakPolarHBondContact CE1-O 3.23Å; Y750-A904 HydrophobicContact CD1-CB 3.83Å; Y750-A904 HydrophobicContact CE1-CB 3.7Å; Y750-N905 WeakPolarHBondContact CE1-O 3.34Å; Y750-N905 PolarHBondContact OH-O 3.45Å
751V88.1Confident83.7Confident17 Ų1759.3 Ų59.310%0.10325%0.253CS..  trans-119.3141.7175.4-172.90000108.9F753 V754 V764 L850 C895 I902V751-F753 WeakPolarHBondContact CG1-O 3.37Å; V751-V754 HydrophobicContact CG1-CG1 3.84Å; V751-V764 HydrophobicContact CG1-CG2 4.09Å; V751-L850 HydrophobicContact CB-CD1 4.17Å; V751-C895 PolarHBondContact O-SG 3.09Å; V751-C895 VanDerWaalsContact O-SG 3.33Å; V751-I902 WeakPolarHBondContact O-CD1 3.19Å
752A89.5Confident83.6Confident1 Ų159.5 Ų59.51%0.00826%0.255CS..SBendtrans-134.3-31.7173.400000112.6W737 L738 F763 V764 F928W737-A752 HydrophobicContact CE3-CB 4.26Å; W737-A752 HydrophobicContact CZ3-CB 4Å; L738-A752 HydrophobicContact CD1-CB 4.12Å; L738-A752 HydrophobicContact CD2-CB 4.16Å; L738-A752 HydrophobicContact CG-CB 4.2Å; A752-F763 VanDerWaalsContact O-CD2 3.3Å; A752-F763 WeakPolarHBondContact O-CD2 3.03Å; A752-V764 WeakPolarHBondContact O-CG2 3.17Å; A752-V764 PolarHBondContact O-N 3.09Å; A752-F928 HydrophobicContact CB-CD2 4.41Å; A752-F928 HydrophobicContact CB-CE2 4.18Å
753F88.6Confident83.9Confident34 Ų3457 Ų5715%0.14924%0.238CC..EExtended strand (participates in β ladder)trans-125.8150.6173-51.9-89.2000109.8E726 L730 V751 S761 V762 F763 F928E726-F753 HydrophobicContact CG-CE1 4.5Å; L730-F753 HydrophobicContact CG-CE1 4.15Å; L730-F753 HydrophobicContact CG-CZ 4.29Å; V751-F753 WeakPolarHBondContact CG1-O 3.37Å; F753-S761 WeakPolarHBondContact CB-OG 3.33Å; F753-V762 VanDerWaalsContact CA-O 3.22Å; F753-V762 WeakPolarHBondContact CA-O 3.42Å; F753-V762 WeakPolarHBondContact CB-O 3.47Å; F753-F763 HydrophobicContact CD1-CB 4.01Å; F753-F763 HydrophobicContact CD1-CD2 4.17Å; F753-F763 HydrophobicContact CE1-CB 3.97Å; F753-F763 AromaticContact CE1-CD2 3.84Å; F753-F763 HydrophobicContact CE1-CD2 3.84Å; F753-F763 HydrophobicContact CE1-CG 4.34Å; F753-F763 HydrophobicContact CZ-CD2 4.28Å; F753-F928 HydrophobicContact CZ-CZ 4.27Å
754V87Confident84.2Confident3 Ų348.4 Ų48.42%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-131168.6172.2-67.70000108.4V751 S761 V762 V764 Y767 Q812 W814V751-V754 HydrophobicContact CG1-CG1 3.84Å; V754-S761 CarbonylContact O-C 3.51Å; V754-S761 WeakPolarHBondContact O-CA 3.49Å; V754-V762 PolarHBondContact N-O 3.25Å; V754-V762 PolarHBondContact O-N 3.42Å; V754-V764 HydrophobicContact CB-CG2 4.37Å; V754-V764 HydrophobicContact CG1-CG2 3.7Å; V754-V764 HydrophobicContact CG2-CG2 4Å; V754-Y767 HydrophobicContact CG2-CD2 4.19Å; V754-Y767 HydrophobicContact CG2-CE2 3.61Å; V754-Q812 HydrophobicContact CG1-CB 4.15Å; V754-W814 HydrophobicContact CB-CD2 4.21Å; V754-W814 HydrophobicContact CB-CG 4.16Å; V754-W814 HydrophobicContact CG1-CD2 4.09Å; V754-W814 HydrophobicContact CG1-CG 4.41Å; V754-W814 HydrophobicContact CG1-CZ2 3.93Å; V754-W814 HydrophobicContact CG2-CB 4.19Å; V754-W814 HydrophobicContact CG2-CD2 3.76Å; V754-W814 HydrophobicContact CG2-CE3 3.97Å; V754-W814 HydrophobicContact CG2-CG 3.88Å
755F84.1Confident84.7Confident15 Ų1540.3 Ų40.37%0.06617%0.17CC..EExtended strand (participates in β ladder)trans-92.3143.7174-70.2-102.3000109.9L487 I720 L722 G759 R760 V811 Q812 I813 W814L487-F755 HydrophobicContact CD1-CD1 3.99Å; L487-F755 HydrophobicContact CD1-CE1 3.99Å; L487-F755 HydrophobicContact CD1-CG 4.42Å; L487-F755 HydrophobicContact CD1-CZ 4.42Å; L487-F755 HydrophobicContact CD2-CD1 4.39Å; L487-F755 HydrophobicContact CD2-CE1 3.8Å; L487-F755 HydrophobicContact CD2-CZ 4.41Å; I720-F755 HydrophobicContact CG2-CE2 4.31Å; I720-F755 HydrophobicContact CG2-CZ 3.78Å; L722-F755 HydrophobicContact CD2-CZ 4.01Å; F755-G759 WeakPolarHBondContact CD1-O 3.39Å; F755-R760 CarbonylContact C-O 3.55Å; F755-R760 WeakPolarHBondContact CA-O 3.42Å; F755-V811 HydrophobicContact CB-CG1 4.27Å; F755-V811 HydrophobicContact CD2-CB 4.48Å; F755-V811 HydrophobicContact CD2-CG1 3.58Å; F755-V811 HydrophobicContact CE2-CG1 3.99Å; F755-V811 HydrophobicContact CE2-CG2 4.18Å; F755-V811 HydrophobicContact CG-CG1 3.94Å; F755-Q812 PolarHBondContact N-O 2.84Å; F755-I813 HydrophobicContact CB-CG1 4.31Å; F755-I813 CarbonylContact O-C 3.12Å; F755-I813 VanDerWaalsContact O-CA 3.29Å; F755-I813 WeakPolarHBondContact O-CA 3.35Å; F755-W814 PolarHBondContact O-N 2.69Å
756D83.9Confident85.1Confident12 Ų1240 Ų406%0.06417%0.167CC..  trans-84.7175.6164.577.9-16000111.2H758 G759 R760 V762 Y767D756-H758 PolarHBondContact O-N 3.39Å; D756-H758 WeakPolarHBondContact OD1-CA 3.43Å; D756-H758 WeakPolarHBondContact OD1-CB 3.4Å; D756-H758 PolarHBondContact OD1-N 2.93Å; D756-H758 IonicContact OD1-ND1 3.14Å; D756-H758 IonicContact OD2-CG 3.27Å; D756-H758 IonicContact OD2-ND1 3.76Å; D756-H758 PolarHBondContact OD2-ND1 3.34Å; D756-G759 PolarHBondContact O-N 2.88Å; D756-G759 PolarHBondContact OD1-N 2.88Å; D756-G759 VanDerWaalsContact OD1-N 3.16Å; D756-R760 PolarHBondContact N-O 3.47Å; D756-R760 WeakPolarHBondContact OD1-CA 3.4Å; D756-R760 WeakPolarHBondContact OD1-CB 3.29Å; D756-R760 PolarHBondContact OD1-N 3.33Å; D756-R760 IonicContact OD1-NE 2.73Å; D756-R760 IonicContact OD2-CZ 2.67Å; D756-R760 IonicContact OD2-NE 2.8Å; D756-R760 PolarHBondContact OD2-NE 3.03Å; D756-R760 IonicContact OD2-NH2 3.04Å; D756-R760 PolarHBondContact OD2-NH2 3.24Å; D756-V762 HydrophobicContact CB-CG2 4.22Å; D756-Y767 WeakPolarHBondContact CA-OH 3.32Å; D756-Y767 WeakPolarHBondContact CB-OH 3.3Å
757M76.5Confident85.8Confident21 Ų2130.2 Ų30.210%0.10313%0.13CC..THydrogen-bonded Turntrans-60.2-13.7175.3-69.8-66.1-71.600113.8A476 V479 R480 Y495 I813 S815 E819A476-M757 HydrophobicContact CB-CE 4.1Å; V479-M757 HydrophobicContact CB-CE 4.22Å; V479-M757 HydrophobicContact CG1-CE 4Å; R480-M757 HydrophobicContact CG-CE 4.03Å; R480-M757 HydrophobicContact CG-SD 3.69Å; R480-M757 PolarHBondContact NE-SD 2.71Å; R480-M757 VanDerWaalsContact NE-SD 3.43Å; Y495-M757 PolarHBondContact OH-O 2.83Å; Y495-M757 VanDerWaalsContact OH-O 3.07Å; M757-I813 HydrophobicContact CG-CG2 4.37Å; M757-I813 HydrophobicContact SD-CG2 3.64Å; M757-S815 VanDerWaalsContact CG-OG 3.27Å; M757-S815 WeakPolarHBondContact CG-OG 3.27Å; M757-E819 VanDerWaalsContact CG-OE2 3.23Å; M757-E819 WeakPolarHBondContact CG-OE2 3.4Å
758H77.1Confident86.7Confident69 Ų6920.9 Ų20.932%0.3199%0.094SC..THydrogen-bonded Turntrans-94.24.4177.1-4986.6000113.1Y495 D756 R760Y495-H758 WeakPolarHBondContact OH-CA 3.45Å; D756-H758 PolarHBondContact O-N 3.39Å; D756-H758 WeakPolarHBondContact OD1-CA 3.43Å; D756-H758 WeakPolarHBondContact OD1-CB 3.4Å; D756-H758 PolarHBondContact OD1-N 2.93Å; D756-H758 IonicContact OD1-ND1 3.14Å; D756-H758 IonicContact OD2-CG 3.27Å; D756-H758 IonicContact OD2-ND1 3.76Å; D756-H758 PolarHBondContact OD2-ND1 3.34Å; H758-R760 VanDerWaalsContact C-N 3.26Å; H758-R760 HydrophobicContact CB-CG 4.16Å; H758-R760 PolarHBondContact ND1-NH2 2.95Å; H758-R760 PolarHBondContact O-N 2.92Å
759G72.7Confident87.1Confident2 Ų223 Ų232%0.02110%0.102CC..SBendtrans7314.4-176.800000114.7F723 F755 D756F723-G759 WeakPolarHBondContact CB-O 3.17Å; F755-G759 WeakPolarHBondContact CD1-O 3.39Å; D756-G759 PolarHBondContact O-N 2.88Å; D756-G759 PolarHBondContact OD1-N 2.88Å; D756-G759 VanDerWaalsContact OD1-N 3.16Å
760R80.9Confident87.7Confident119 Ų11929.8 Ų29.845%0.44913%0.125SC..  trans-89.1129.6176.7-55.2177.2-65.4-165.30.9109.3F755 D756 H758 V762F755-R760 CarbonylContact C-O 3.55Å; F755-R760 WeakPolarHBondContact CA-O 3.42Å; D756-R760 PolarHBondContact N-O 3.47Å; D756-R760 WeakPolarHBondContact OD1-CA 3.4Å; D756-R760 WeakPolarHBondContact OD1-CB 3.29Å; D756-R760 PolarHBondContact OD1-N 3.33Å; D756-R760 IonicContact OD1-NE 2.73Å; D756-R760 IonicContact OD2-CZ 2.67Å; D756-R760 IonicContact OD2-NE 2.8Å; D756-R760 PolarHBondContact OD2-NE 3.03Å; D756-R760 IonicContact OD2-NH2 3.04Å; D756-R760 PolarHBondContact OD2-NH2 3.24Å; H758-R760 VanDerWaalsContact C-N 3.26Å; H758-R760 HydrophobicContact CB-CG 4.16Å; H758-R760 PolarHBondContact ND1-NH2 2.95Å; H758-R760 PolarHBondContact O-N 2.92Å; R760-V762 PolarHBondContact O-N 2.88Å
761S83Confident87.9Confident4 Ų429.1 Ų29.13%0.02812%0.122CC..EExtended strand (participates in β ladder)trans-67.5120.5167.3177.90000109.8F723 H724 G725 E726 F753 V754F723-S761 WeakPolarHBondContact O-CB 3.11Å; F723-S761 PolarHBondContact O-N 3.28Å; H724-S761 WeakPolarHBondContact ND1-CB 3.44Å; G725-S761 PolarHBondContact N-O 3.34Å; E726-S761 WeakPolarHBondContact CG-O 3.42Å; F753-S761 WeakPolarHBondContact CB-OG 3.33Å; V754-S761 CarbonylContact O-C 3.51Å; V754-S761 WeakPolarHBondContact O-CA 3.49Å
762V88.9Confident88.2Confident6 Ų632.8 Ų32.84%0.03614%0.138CC..EExtended strand (participates in β ladder)trans-123.2142.8-176.7174.80000109.9F753 V754 D756 R760 R766 Y767 V941F753-V762 VanDerWaalsContact CA-O 3.22Å; F753-V762 WeakPolarHBondContact CA-O 3.42Å; F753-V762 WeakPolarHBondContact CB-O 3.47Å; V754-V762 PolarHBondContact N-O 3.25Å; V754-V762 PolarHBondContact O-N 3.42Å; D756-V762 HydrophobicContact CB-CG2 4.22Å; R760-V762 PolarHBondContact O-N 2.88Å; V762-R766 HydrophobicContact CG1-CB 4.25Å; V762-Y767 HydrophobicContact CB-CE2 4.06Å; V762-Y767 HydrophobicContact CG1-CD2 4.26Å; V762-Y767 HydrophobicContact CG1-CE2 3.68Å; V762-V941 HydrophobicContact CG1-CG1 3.94Å
763F91.5Very high88.4Confident3 Ų332.9 Ų32.91%0.01314%0.139CC..EExtended strand (participates in β ladder)trans-74.2125.8179.6-176.8-121.5000112.2E726 L730 A752 F753 P765 R766 I902 F928 W929 L938E726-F763 PolarHBondContact OE1-N 2.97Å; L730-F763 HydrophobicContact CD2-CB 4.45Å; A752-F763 VanDerWaalsContact O-CD2 3.3Å; A752-F763 WeakPolarHBondContact O-CD2 3.03Å; F753-F763 HydrophobicContact CD1-CB 4.01Å; F753-F763 HydrophobicContact CD1-CD2 4.17Å; F753-F763 HydrophobicContact CE1-CB 3.97Å; F753-F763 AromaticContact CE1-CD2 3.84Å; F753-F763 HydrophobicContact CE1-CD2 3.84Å; F753-F763 HydrophobicContact CE1-CG 4.34Å; F753-F763 HydrophobicContact CZ-CD2 4.28Å; F763-P765 HydrophobicContact CD1-CB 4.22Å; F763-P765 HydrophobicContact CD1-CG 3.99Å; F763-P765 HydrophobicContact CE1-CB 3.98Å; F763-P765 HydrophobicContact CE1-CG 3.48Å; F763-P765 VanDerWaalsContact CE1-CG 3.48Å; F763-P765 HydrophobicContact CE2-CG 4.49Å; F763-P765 HydrophobicContact CZ-CG 3.77Å; F763-R766 HydrophobicContact CB-CG 4.3Å; F763-R766 HydrophobicContact CD1-CG 4.48Å; F763-R766 VanDerWaalsContact O-CB 3.28Å; F763-R766 WeakPolarHBondContact O-CB 3.27Å; F763-R766 WeakPolarHBondContact O-CG 3.2Å; F763-R766 PolarHBondContact O-N 3Å; F763-I902 HydrophobicContact CE2-CG2 4Å; F763-I902 HydrophobicContact CZ-CG2 3.91Å; F763-F928 HydrophobicContact CD2-CZ 4.31Å; F763-F928 AromaticContact CE2-CD1 3.82Å; F763-F928 HydrophobicContact CE2-CD1 3.82Å; F763-F928 AromaticContact CE2-CD2 3.84Å; F763-F928 HydrophobicContact CE2-CD2 3.84Å; F763-F928 AromaticContact CE2-CE1 3.73Å; F763-F928 HydrophobicContact CE2-CE1 3.73Å; F763-F928 AromaticContact CE2-CE2 3.73Å; F763-F928 HydrophobicContact CE2-CE2 3.73Å; F763-F928 AromaticContact CE2-CG 3.88Å; F763-F928 HydrophobicContact CE2-CG 3.88Å; F763-F928 AromaticContact CE2-CZ 3.67Å; F763-F928 HydrophobicContact CE2-CZ 3.67Å; F763-F928 HydrophobicContact CZ-CB 4.41Å; F763-F928 AromaticContact CZ-CD1 3.61Å; F763-F928 HydrophobicContact CZ-CD1 3.61Å; F763-F928 HydrophobicContact CZ-CD2 4.31Å; F763-F928 AromaticContact CZ-CE1 3.84Å; F763-F928 HydrophobicContact CZ-CE1 3.84Å; F763-F928 HydrophobicContact CZ-CE2 4.49Å; F763-F928 AromaticContact CZ-CG 3.88Å; F763-F928 HydrophobicContact CZ-CG 3.88Å; F763-F928 HydrophobicContact CZ-CZ 4.27Å; F763-W929 HydrophobicContact CD1-CZ2 4.21Å; F763-W929 AromaticContact CE1-CE2 3.83Å; F763-W929 AromaticContact CE1-CZ2 3.56Å; F763-W929 HydrophobicContact CE1-CZ2 3.56Å; F763-W929 AromaticContact CE1-NE1 3.79Å; F763-W929 HydrophobicContact CZ-CZ2 4.07Å; F763-L938 HydrophobicContact CB-CD1 4.48Å; F763-L938 HydrophobicContact CD1-CD1 3.71Å; F763-L938 HydrophobicContact CE1-CD1 4.37Å; F763-L938 HydrophobicContact CG-CD1 4.42Å
764V92.9Very high88.6Confident0 Ų031.5 Ų31.50%013%0.133CC..G310 helixtrans-54.5-44.6-165.6166.20000115.3V751 A752 V754 R766 Y767 W814 L850 V897 I902V751-V764 HydrophobicContact CG1-CG2 4.09Å; A752-V764 WeakPolarHBondContact O-CG2 3.17Å; A752-V764 PolarHBondContact O-N 3.09Å; V754-V764 HydrophobicContact CB-CG2 4.37Å; V754-V764 HydrophobicContact CG1-CG2 3.7Å; V754-V764 HydrophobicContact CG2-CG2 4Å; V764-R766 PolarHBondContact O-N 3.16Å; V764-Y767 PolarHBondContact O-N 2.72Å; V764-Y767 VanDerWaalsContact O-N 3.08Å; V764-W814 HydrophobicContact CG1-CH2 3.7Å; V764-W814 HydrophobicContact CG1-CZ3 3.87Å; V764-W814 HydrophobicContact CG2-CH2 4.35Å; V764-L850 HydrophobicContact CG1-CD1 4.21Å; V764-V897 HydrophobicContact CG1-CG1 3.92Å; V764-V897 HydrophobicContact CG1-CG2 3.97Å; V764-I902 HydrophobicContact CB-CD1 4.48Å; V764-I902 HydrophobicContact CG1-CD1 4.42Å
765P94.3Very high88.8Confident6 Ų635 Ų354%0.03916%0.156CC..G310 helixtrans-52.1-26174.3-32.437.7000115.8F763 Y767 L768 V897 I902F763-P765 HydrophobicContact CD1-CB 4.22Å; F763-P765 HydrophobicContact CD1-CG 3.99Å; F763-P765 HydrophobicContact CE1-CB 3.98Å; F763-P765 HydrophobicContact CE1-CG 3.48Å; F763-P765 VanDerWaalsContact CE1-CG 3.48Å; F763-P765 HydrophobicContact CE2-CG 4.49Å; F763-P765 HydrophobicContact CZ-CG 3.77Å; P765-Y767 PolarHBondContact O-N 2.89Å; P765-Y767 VanDerWaalsContact O-N 3.15Å; P765-L768 PolarHBondContact O-N 3.26Å; P765-V897 HydrophobicContact CB-CG1 4.3Å; P765-V897 HydrophobicContact CG-CG1 3.76Å; P765-I902 HydrophobicContact CG-CB 4.08Å; P765-I902 HydrophobicContact CG-CG2 4.33Å
766R92.8Very high89.1Confident41 Ų4136.1 Ų36.116%0.15516%0.161CC..G310 helixtrans-64.9-17.2178.9-57.5179.970.4-176.21.3113.4E726 V762 F763 V764 L768 L938 S939 S940 V941E726-R766 WeakPolarHBondContact OE1-CD 3.45Å; E726-R766 IonicContact OE1-CZ 3.3Å; E726-R766 IonicContact OE1-NE 3.31Å; E726-R766 IonicContact OE1-NH1 3.96Å; E726-R766 PolarHBondContact OE1-NH1 3.47Å; E726-R766 IonicContact OE2-NH1 3.72Å; E726-R766 PolarHBondContact OE2-NH1 2.87Å; V762-R766 HydrophobicContact CG1-CB 4.25Å; F763-R766 HydrophobicContact CB-CG 4.3Å; F763-R766 HydrophobicContact CD1-CG 4.48Å; F763-R766 VanDerWaalsContact O-CB 3.28Å; F763-R766 WeakPolarHBondContact O-CB 3.27Å; F763-R766 WeakPolarHBondContact O-CG 3.2Å; F763-R766 PolarHBondContact O-N 3Å; V764-R766 PolarHBondContact O-N 3.16Å; R766-L768 VanDerWaalsContact C-N 3.3Å; R766-L938 HydrophobicContact CG-CB 4.21Å; R766-L938 HydrophobicContact CG-CD1 4.46Å; R766-S939 PolarHBondContact NE-O 3.11Å; R766-S939 PolarHBondContact NH2-O 3.26Å; R766-S939 VanDerWaalsContact NH2-O 3.09Å; R766-S939 PolarHBondContact NH2-OG 2.98Å; R766-S939 VanDerWaalsContact NH2-OG 3.12Å; R766-S940 WeakPolarHBondContact O-CA 3.46Å; R766-V941 HydrophobicContact CB-CG1 4.27Å; R766-V941 WeakPolarHBondContact O-CG2 3.12Å; R766-V941 PolarHBondContact O-N 3.32Å
767Y94.2Very high89.6Confident2 Ų235.5 Ų35.51%0.00816%0.158CC..G310 helixtrans-82.4-1172.7-75.8-95000113.8V754 D756 V762 V764 P765 W814 C837 V941 Q942V754-Y767 HydrophobicContact CG2-CD2 4.19Å; V754-Y767 HydrophobicContact CG2-CE2 3.61Å; D756-Y767 WeakPolarHBondContact CA-OH 3.32Å; D756-Y767 WeakPolarHBondContact CB-OH 3.3Å; V762-Y767 HydrophobicContact CB-CE2 4.06Å; V762-Y767 HydrophobicContact CG1-CD2 4.26Å; V762-Y767 HydrophobicContact CG1-CE2 3.68Å; V764-Y767 PolarHBondContact O-N 2.72Å; V764-Y767 VanDerWaalsContact O-N 3.08Å; P765-Y767 PolarHBondContact O-N 2.89Å; P765-Y767 VanDerWaalsContact O-N 3.15Å; Y767-W814 HydrophobicContact CD1-CB 4.26Å; Y767-W814 HydrophobicContact CD1-CE3 4.07Å; Y767-W814 AromaticContact CD2-CE3 3.94Å; Y767-W814 HydrophobicContact CD2-CE3 3.94Å; Y767-W814 HydrophobicContact CD2-CZ3 4.46Å; Y767-W814 HydrophobicContact CE1-CB 3.62Å; Y767-W814 HydrophobicContact CE1-CE3 4.47Å; Y767-W814 VanDerWaalsContact CE1-O 3.32Å; Y767-W814 WeakPolarHBondContact CE1-O 3.27Å; Y767-W814 HydrophobicContact CE2-CB 4.4Å; Y767-W814 HydrophobicContact CE2-CE3 4.36Å; Y767-W814 AromaticContact CG-CE3 3.77Å; Y767-W814 HydrophobicContact CG-CE3 3.77Å; Y767-W814 HydrophobicContact CG-CZ3 4.32Å; Y767-W814 PolarHBondContact OH-O 2.82Å; Y767-C837 PolarHBondContact O-SG 2.83Å; Y767-V941 HydrophobicContact CD1-CG2 3.81Å; Y767-V941 HydrophobicContact CD2-CG2 3.97Å; Y767-V941 HydrophobicContact CE1-CG2 3.93Å; Y767-V941 HydrophobicContact CE2-CG2 4.07Å; Y767-V941 HydrophobicContact CG-CG2 3.85Å; Y767-Q942 VanDerWaalsContact O-CG 3.26Å; Y767-Q942 WeakPolarHBondContact O-CG 3.35Å; Y767-Q942 PolarHBondContact O-NE2 3.19Å
768L95.2Very high90.3Very high7 Ų737.2 Ų37.24%0.03717%0.169CC..  trans-110.7115.7179.8-63.5-178.4000111.4P765 R766 T833 C836 L840 L848 V897 P899P765-L768 PolarHBondContact O-N 3.26Å; R766-L768 VanDerWaalsContact C-N 3.3Å; L768-T833 HydrophobicContact CD2-CG2 4.34Å; L768-C836 HydrophobicContact CD2-CB 3.82Å; L768-L840 HydrophobicContact CB-CD1 4.41Å; L768-L848 HydrophobicContact CD1-CB 4.16Å; L768-L848 HydrophobicContact CD2-CB 4.43Å; L768-L848 HydrophobicContact CD2-CD2 4.27Å; L768-V897 HydrophobicContact CD1-CB 3.98Å; L768-V897 HydrophobicContact CD1-CG1 3.78Å; L768-P899 HydrophobicContact CB-CB 4.36Å
769R94.5Very high91Very high60 Ų6038 Ų3823%0.22618%0.183CC..  trans-135.7152.3179.4-166-179.1-179.3137.212.8110.7I771 C837 Q942 P943 E944R769-I771 HydrophobicContact CB-CD1 4.16Å; R769-I771 HydrophobicContact CB-CG1 4.2Å; R769-I771 HydrophobicContact CG-CG1 4.31Å; R769-I771 PolarHBondContact O-N 3.1Å; R769-C837 PolarHBondContact N-SG 2.96Å; R769-C837 WeakPolarHBondContact O-CA 3.49Å; R769-C837 WeakPolarHBondContact O-CB 3.29Å; R769-C837 PolarHBondContact O-SG 2.86Å; R769-C837 VanDerWaalsContact O-SG 3.41Å; R769-Q942 HydrophobicContact CB-CB 3.93Å; R769-Q942 HydrophobicContact CB-CG 4.31Å; R769-Q942 WeakPolarHBondContact CD-O 3.49Å; R769-Q942 PolarHBondContact NH1-O 3.15Å; R769-Q942 VanDerWaalsContact NH1-O 3.16Å; R769-P943 WeakPolarHBondContact CD-O 3.29Å; R769-P943 PolarHBondContact NE-O 2.95Å; R769-E944 VanDerWaalsContact CZ-CA 3.49Å; R769-E944 IonicContact CZ-OE1 3.98Å; R769-E944 IonicContact NH1-OE1 3.27Å; R769-E944 PolarHBondContact NH1-OE1 3.12Å; R769-E944 IonicContact NH2-OE1 3.27Å; R769-E944 PolarHBondContact NH2-OE1 3.49Å; R769-E944 IonicContact NH2-OE2 2.77Å; R769-E944 PolarHBondContact NH2-OE2 2.96Å
770R95.2Very high91.9Very high187 Ų18740.3 Ų40.371%0.70620%0.195SC*.  trans-72.5108.3167.1-62.3179.6-168.7167.37108.3L840R770-L840 HydrophobicContact CG-CB 4.07Å
771I94.6Very high92.3Very high3 Ų338.7 Ų38.72%0.01519%0.191CC..  trans-126.7129.9178.5-70.9169.4000107.5R769 I817 C837 G841 Q942 V946R769-I771 HydrophobicContact CB-CD1 4.16Å; R769-I771 HydrophobicContact CB-CG1 4.2Å; R769-I771 HydrophobicContact CG-CG1 4.31Å; R769-I771 PolarHBondContact O-N 3.1Å; I771-I817 HydrophobicContact CD1-CD1 3.99Å; I771-C837 HydrophobicContact CB-CB 4.34Å; I771-C837 HydrophobicContact CD1-CB 4.37Å; I771-C837 PolarHBondContact N-O 3.43Å; I771-G841 WeakPolarHBondContact O-CA 3.4Å; I771-Q942 HydrophobicContact CD1-CB 3.88Å; I771-V946 HydrophobicContact CD1-CG2 4.29Å; I771-V946 HydrophobicContact CG2-CB 4.19Å; I771-V946 HydrophobicContact CG2-CG2 3.8Å
772Q94.5Very high92.7Very high93 Ų9344.1 Ų44.144%0.43523%0.229SC..  trans-65.1135.3176.3-65.7-54.4-43.800109.8G841 Y948Q772-G841 PolarHBondContact NE2-O 3.11Å; Q772-G841 PolarHBondContact OE1-O 2.79Å; Q772-Y948 VanDerWaalsContact O-CE2 3.23Å; Q772-Y948 WeakPolarHBondContact O-CE2 3.28Å; Q772-Y948 PolarHBondContact O-OH 3.06Å
773P94Very high92.8Very high4 Ų448 Ų483%0.02625%0.249CC..  trans-78.5174.7177.933.7-36.1000112.3V777 V778 W838 L842P773-V777 HydrophobicContact CB-CB 3.87Å; P773-V777 HydrophobicContact CB-CG1 4.06Å; P773-V777 HydrophobicContact CB-CG2 4.24Å; P773-V777 HydrophobicContact CG-CB 3.97Å; P773-V777 HydrophobicContact CG-CG1 4Å; P773-V778 HydrophobicContact CG-CG2 3.83Å; P773-V778 WeakPolarHBondContact O-CG2 3.44Å; P773-W838 HydrophobicContact CB-CB 3.85Å; P773-W838 HydrophobicContact CB-CD2 3.8Å; P773-W838 HydrophobicContact CB-CE3 4.25Å; P773-W838 HydrophobicContact CB-CG 3.61Å; P773-L842 HydrophobicContact CG-CD1 3.98Å; P773-L842 HydrophobicContact CG-CD2 3.79Å; P773-L842 HydrophobicContact CG-CG 3.76Å
774P93.1Very high92.9Very high4 Ų451.9 Ų51.93%0.02627%0.266CS..  trans-53.7151.5173.3-27.634000113.9E776 V777 V778 L794 W838 Y948P774-E776 WeakPolarHBondContact CB-OE2 3.47Å; P774-E776 PolarHBondContact O-N 2.9Å; P774-E776 VanDerWaalsContact O-N 3.11Å; P774-V777 HydrophobicContact CB-CG2 4.5Å; P774-V777 WeakPolarHBondContact O-CB 3.49Å; P774-V777 PolarHBondContact O-N 2.88Å; P774-V778 PolarHBondContact O-N 3.25Å; P774-V778 VanDerWaalsContact O-N 3.1Å; P774-L794 HydrophobicContact CB-CD2 4.44Å; P774-L794 HydrophobicContact CG-CD2 4.21Å; P774-W838 VanDerWaalsContact CD-CE2 3.45Å; P774-W838 HydrophobicContact CG-CH2 3.72Å; P774-W838 HydrophobicContact CG-CZ2 3.6Å; P774-W838 HydrophobicContact CG-CZ3 4.47Å; P774-Y948 HydrophobicContact CB-CD1 4.46Å; P774-Y948 HydrophobicContact CB-CG 4.33Å; P774-Y948 HydrophobicContact CG-CD1 3.74Å; P774-Y948 HydrophobicContact CG-CD2 4.41Å; P774-Y948 HydrophobicContact CG-CE1 3.76Å; P774-Y948 HydrophobicContact CG-CE2 4.43Å; P774-Y948 HydrophobicContact CG-CG 4.08Å
775P91.8Very high92.9Very high78 Ų7856.3 Ų56.351%0.50628%0.283SS..Hα-helixtrans-52.5-35.3-176-27.435.5000114.7V777 V778 S779P775-V777 VanDerWaalsContact C-N 3.3Å; P775-V777 PolarHBondContact O-N 2.98Å; P775-V778 PolarHBondContact O-N 2.66Å; P775-S779 PolarHBondContact O-N 3.08Å
776E90.4Very high92.7Very high37 Ų3757.4 Ų57.417%0.17329%0.293CS..Hα-helixtrans-60.8-40178.4-50.796132.800111.1P774 S779 F790 Y1066 S1067P774-E776 WeakPolarHBondContact CB-OE2 3.47Å; P774-E776 PolarHBondContact O-N 2.9Å; P774-E776 VanDerWaalsContact O-N 3.11Å; E776-S779 PolarHBondContact O-OG 2.99Å; E776-F790 HydrophobicContact CB-CE1 3.76Å; E776-F790 HydrophobicContact CB-CZ 4.09Å; E776-Y1066 HydrophobicContact CG-CD1 4.1Å; E776-S1067 WeakPolarHBondContact OE1-CB 3.43Å; E776-S1067 PolarHBondContact OE1-N 2.99Å
777V92.4Very high92.7Very high0 Ų055.5 Ų55.50%029%0.285CS..Hα-helixtrans-74.8-39.7175.9-167.60000111.1P773 P774 P775 S779 L780 F790 A791 L794 W838 L842P773-V777 HydrophobicContact CB-CB 3.87Å; P773-V777 HydrophobicContact CB-CG1 4.06Å; P773-V777 HydrophobicContact CB-CG2 4.24Å; P773-V777 HydrophobicContact CG-CB 3.97Å; P773-V777 HydrophobicContact CG-CG1 4Å; P774-V777 HydrophobicContact CB-CG2 4.5Å; P774-V777 WeakPolarHBondContact O-CB 3.49Å; P774-V777 PolarHBondContact O-N 2.88Å; P775-V777 VanDerWaalsContact C-N 3.3Å; P775-V777 PolarHBondContact O-N 2.98Å; V777-S779 PolarHBondContact O-N 2.67Å; V777-L780 PolarHBondContact O-N 3.31Å; V777-L780 VanDerWaalsContact O-N 3.14Å; V777-F790 HydrophobicContact CB-CD1 4.47Å; V777-F790 HydrophobicContact CG2-CD1 4.02Å; V777-F790 HydrophobicContact CG2-CE1 4.09Å; V777-A791 HydrophobicContact CG1-CB 3.79Å; V777-L794 HydrophobicContact CG2-CD2 3.65Å; V777-W838 HydrophobicContact CG2-CZ3 4.46Å; V777-L842 HydrophobicContact CG1-CD1 4.05Å
778V93.2Very high92.7Very high56 Ų5655.4 Ų55.434%0.33929%0.285SS..Hα-helixtrans-60.9-35.5177.5178.70000111.2P773 P774 P775 L780 K781P773-V778 HydrophobicContact CG-CG2 3.83Å; P773-V778 WeakPolarHBondContact O-CG2 3.44Å; P774-V778 PolarHBondContact O-N 3.25Å; P774-V778 VanDerWaalsContact O-N 3.1Å; P775-V778 PolarHBondContact O-N 2.66Å; V778-L780 PolarHBondContact O-N 3.1Å; V778-L780 VanDerWaalsContact O-N 3.1Å; V778-K781 WeakPolarHBondContact O-CB 3.42Å; V778-K781 PolarHBondContact O-N 2.73Å
779S91.8Very high92.6Very high86 Ų8658.8 Ų58.860%0.60130%0.303SS*.THydrogen-bonded Turntrans-55.2-29.6176.581.80000113.4P775 E776 V777P775-S779 PolarHBondContact O-N 3.08Å; E776-S779 PolarHBondContact O-OG 2.99Å; V777-S779 PolarHBondContact O-N 2.67Å
780L90.4Very high92.5Very high51 Ų5157.9 Ų57.927%0.26730%0.301SS..THydrogen-bonded Turntrans-91.63.9-178.9-60.9176.3000113.8V777 V778 S782 N783 A787 F790V777-L780 PolarHBondContact O-N 3.31Å; V777-L780 VanDerWaalsContact O-N 3.14Å; V778-L780 PolarHBondContact O-N 3.1Å; V778-L780 VanDerWaalsContact O-N 3.1Å; L780-S782 PolarHBondContact O-N 2.86Å; L780-N783 CarbonylContact O-C 3.56Å; L780-N783 PolarHBondContact O-N 3.23Å; L780-A787 HydrophobicContact CB-CB 3.98Å; L780-F790 HydrophobicContact CD1-CB 3.48Å; L780-F790 VanDerWaalsContact CD1-CB 3.48Å; L780-F790 HydrophobicContact CD1-CD1 3.9Å; L780-F790 HydrophobicContact CD1-CD2 4.32Å; L780-F790 HydrophobicContact CD1-CG 3.64Å
781K88.9Confident92.5Very high84 Ų8449 Ų4937%0.36527%0.267SS..THydrogen-bonded Turntrans-54.4-27.8-175.4-175.8172-177.6174.10113.9V778 N783 L842V778-K781 WeakPolarHBondContact O-CB 3.42Å; V778-K781 PolarHBondContact O-N 2.73Å; K781-N783 VanDerWaalsContact C-N 3.32Å; K781-N783 PolarHBondContact O-N 2.92Å; K781-L842 HydrophobicContact CB-CD2 4.29Å; K781-L842 HydrophobicContact CD-CD2 4Å; K781-L842 HydrophobicContact CG-CD2 4.13Å
782S91.4Very high92.5Very high119 Ų11948.8 Ų48.883%0.83227%0.266SS*.THydrogen-bonded Turntrans-63-3317456.80000113.5L780L780-S782 PolarHBondContact O-N 2.86Å
783N92.5Very high92.4Very high87 Ų8746.7 Ų46.747%0.46525%0.254SS..SBendtrans-114.487.9177.5-177.9-16.1000110.1L780 K781 R785 A786 A787L780-N783 CarbonylContact O-C 3.56Å; L780-N783 PolarHBondContact O-N 3.23Å; K781-N783 VanDerWaalsContact C-N 3.32Å; K781-N783 PolarHBondContact O-N 2.92Å; N783-R785 PolarHBondContact O-N 3.21Å; N783-R785 PolarHBondContact OD1-N 2.96Å; N783-A786 HydrophobicContact CB-CB 3.92Å; N783-A786 PolarHBondContact O-N 3.27Å; N783-A786 PolarHBondContact OD1-N 2.67Å; N783-A786 VanDerWaalsContact OD1-N 3.1Å; N783-A787 PolarHBondContact O-N 2.72Å
784K92.7Very high92.3Very high85 Ų8546.7 Ų46.737%0.3725%0.254SS..Hα-helixtrans-53.4-28.8-177.7-67.5-169.2170.6-161.80114.3V788 E843 I844 L867K784-V788 WeakPolarHBondContact O-CB 3.47Å; K784-V788 WeakPolarHBondContact O-CG2 3.44Å; K784-V788 PolarHBondContact O-N 2.87Å; K784-E843 PolarHBondContact NZ-O 3.03Å; K784-I844 HydrophobicContact CB-CD1 4.07Å; K784-I844 HydrophobicContact CD-CD1 4.46Å; K784-I844 HydrophobicContact CD-CG1 4.04Å; K784-I844 HydrophobicContact CG-CD1 4.09Å; K784-I844 HydrophobicContact CG-CG1 4.22Å; K784-L867 HydrophobicContact CB-CD2 4.02Å
785R92.7Very high92.4Very high92 Ų9246.5 Ų46.535%0.34725%0.253SS..Hα-helixtrans-76.5-41.1174.8-170.2171.8-179.6132.6-5.1111.7N783 V788 L789 L867 E882N783-R785 PolarHBondContact O-N 3.21Å; N783-R785 PolarHBondContact OD1-N 2.96Å; R785-V788 PolarHBondContact O-N 2.81Å; R785-L789 HydrophobicContact CG-CD1 4.12Å; R785-L789 VanDerWaalsContact O-CG 3.29Å; R785-L789 WeakPolarHBondContact O-CG 3.46Å; R785-L789 PolarHBondContact O-N 2.64Å; R785-L867 HydrophobicContact CB-CD1 3.98Å; R785-L867 HydrophobicContact CG-CD1 4.33Å; R785-E882 IonicContact CZ-OE1 2.67Å; R785-E882 IonicContact NH1-OE1 2.72Å; R785-E882 IonicContact NH2-OE1 3.29Å; R785-E882 PolarHBondContact NH2-OE1 2.78Å; R785-E882 VanDerWaalsContact NH2-OE1 3.09Å
786A90.7Very high92.5Very high30 Ų3044 Ų4425%0.24824%0.237CC..Hα-helixtrans-63.7-45.5174.500000111.5N783 V788 L789 F790N783-A786 HydrophobicContact CB-CB 3.92Å; N783-A786 PolarHBondContact O-N 3.27Å; N783-A786 PolarHBondContact OD1-N 2.67Å; N783-A786 VanDerWaalsContact OD1-N 3.1Å; A786-V788 VanDerWaalsContact C-N 3.34Å; A786-V788 PolarHBondContact O-N 3.19Å; A786-L789 PolarHBondContact O-N 3.35Å; A786-F790 VanDerWaalsContact O-CB 3.32Å; A786-F790 WeakPolarHBondContact O-CB 3.45Å; A786-F790 PolarHBondContact O-N 2.77Å
787A93.1Very high92.5Very high0 Ų042.5 Ų42.50%023%0.23CC..Hα-helixtrans-57.4-43.6175.500000112.5L780 N783 A791 L842L780-A787 HydrophobicContact CB-CB 3.98Å; N783-A787 PolarHBondContact O-N 2.72Å; A787-A791 WeakPolarHBondContact O-CB 3.45Å; A787-A791 PolarHBondContact O-N 2.97Å; A787-L842 HydrophobicContact CB-CD1 4.19Å
788V94.2Very high92.5Very high0 Ų042.8 Ų42.80%023%0.232CC..Hα-helixtrans-63.9-44.9176.5167.90000112.3K784 R785 A786 C792 L839 I844 V865K784-V788 WeakPolarHBondContact O-CB 3.47Å; K784-V788 WeakPolarHBondContact O-CG2 3.44Å; K784-V788 PolarHBondContact O-N 2.87Å; R785-V788 PolarHBondContact O-N 2.81Å; A786-V788 VanDerWaalsContact C-N 3.34Å; A786-V788 PolarHBondContact O-N 3.19Å; V788-C792 WeakPolarHBondContact O-CB 3.41Å; V788-C792 PolarHBondContact O-N 2.72Å; V788-L839 HydrophobicContact CB-CD2 4.41Å; V788-L839 HydrophobicContact CG2-CD1 4.28Å; V788-L839 HydrophobicContact CG2-CD2 3.6Å; V788-I844 HydrophobicContact CG2-CD1 4Å; V788-I844 HydrophobicContact CG2-CG2 4.05Å; V788-V865 HydrophobicContact CG1-CG1 4.45Å; V788-V865 HydrophobicContact CG1-CG2 4.12Å; V788-V865 HydrophobicContact CG2-CG1 3.89Å
789L92.7Very high92.1Very high79 Ų7941 Ų4141%0.41422%0.222SC..Hα-helixtrans-65.8-43.3179-69.9169.1000111.5R785 A786 R793 V880R785-L789 HydrophobicContact CG-CD1 4.12Å; R785-L789 VanDerWaalsContact O-CG 3.29Å; R785-L789 WeakPolarHBondContact O-CG 3.46Å; R785-L789 PolarHBondContact O-N 2.64Å; A786-L789 PolarHBondContact O-N 3.35Å; L789-R793 WeakPolarHBondContact O-CB 3.35Å; L789-R793 PolarHBondContact O-N 3.33Å; L789-V880 HydrophobicContact CD2-CB 3.98Å; L789-V880 HydrophobicContact CD2-CG1 4.36Å; L789-V880 HydrophobicContact CD2-CG2 3.89Å
790F92.5Very high91.6Very high40 Ų4039.7 Ų39.718%0.17521%0.205CC..Hα-helixtrans-70.2-43.6179.6-174.1-99000112.2E776 V777 L780 A786 C792 R793 L794 Y1066E776-F790 HydrophobicContact CB-CE1 3.76Å; E776-F790 HydrophobicContact CB-CZ 4.09Å; V777-F790 HydrophobicContact CB-CD1 4.47Å; V777-F790 HydrophobicContact CG2-CD1 4.02Å; V777-F790 HydrophobicContact CG2-CE1 4.09Å; L780-F790 HydrophobicContact CD1-CB 3.48Å; L780-F790 VanDerWaalsContact CD1-CB 3.48Å; L780-F790 HydrophobicContact CD1-CD1 3.9Å; L780-F790 HydrophobicContact CD1-CD2 4.32Å; L780-F790 HydrophobicContact CD1-CG 3.64Å; A786-F790 VanDerWaalsContact O-CB 3.32Å; A786-F790 WeakPolarHBondContact O-CB 3.45Å; A786-F790 PolarHBondContact O-N 2.77Å; F790-C792 PolarHBondContact O-N 3.33Å; F790-R793 WeakPolarHBondContact O-CB 3.47Å; F790-R793 PolarHBondContact O-N 2.68Å; F790-L794 HydrophobicContact CE1-CD2 4.42Å; F790-L794 WeakPolarHBondContact O-CB 2.99Å; F790-L794 PolarHBondContact O-N 3.47Å; F790-Y1066 HydrophobicContact CE2-CE1 4.39Å; F790-Y1066 WeakPolarHBondContact CE2-OH 3.44Å; F790-Y1066 AromaticContact CZ-CE1 3.77Å; F790-Y1066 HydrophobicContact CZ-CE1 3.77Å; F790-Y1066 AromaticContact CZ-CZ 3.85Å
791A94.6Very high90.7Very high0 Ų037.7 Ų37.70%019%0.194CC..Hα-helixtrans-59.8-45.2173.300000111.8V777 A787 R793 L794 V795 L835 W838V777-A791 HydrophobicContact CG1-CB 3.79Å; A787-A791 WeakPolarHBondContact O-CB 3.45Å; A787-A791 PolarHBondContact O-N 2.97Å; A791-R793 VanDerWaalsContact C-N 3.28Å; A791-R793 PolarHBondContact O-N 2.77Å; A791-L794 PolarHBondContact O-N 3.48Å; A791-V795 WeakPolarHBondContact O-CG2 3.31Å; A791-V795 PolarHBondContact O-N 2.97Å; A791-L835 HydrophobicContact CB-CD1 3.6Å; A791-W838 HydrophobicContact CB-CE3 4.35Å
792C94.7Very high89.4Confident0 Ų036.9 Ų36.90%019%0.194CC..Hα-helixtrans-63.2-34.7177-172.20000112.2V788 F790 S796 L835 V880V788-C792 WeakPolarHBondContact O-CB 3.41Å; V788-C792 PolarHBondContact O-N 2.72Å; F790-C792 PolarHBondContact O-N 3.33Å; C792-S796 WeakPolarHBondContact O-CB 3.39Å; C792-S796 PolarHBondContact O-N 3.42Å; C792-S796 PolarHBondContact O-OG 2.89Å; C792-L835 HydrophobicContact CB-CD1 4.49Å; C792-L835 HydrophobicContact CB-CD2 4.02Å; C792-V880 HydrophobicContact CB-CG2 4.08Å
793R92.5Very high87.5Confident48 Ų4833.5 Ų33.518%0.18117%0.167CC..Hα-helixtrans-68.6-49.5172.4178.2178.5176.5-110.6-1.5111.8L789 F790 A791 V795 S796 L797 E998 N1029 Y1066 S1072L789-R793 WeakPolarHBondContact O-CB 3.35Å; L789-R793 PolarHBondContact O-N 3.33Å; F790-R793 WeakPolarHBondContact O-CB 3.47Å; F790-R793 PolarHBondContact O-N 2.68Å; A791-R793 VanDerWaalsContact C-N 3.28Å; A791-R793 PolarHBondContact O-N 2.77Å; R793-V795 VanDerWaalsContact C-N 3.35Å; R793-V795 PolarHBondContact O-N 3.48Å; R793-S796 WeakPolarHBondContact CA-OG 3.43Å; R793-S796 CarbonylContact O-C 3.52Å; R793-S796 WeakPolarHBondContact O-CA 3.4Å; R793-S796 WeakPolarHBondContact O-CB 3.38Å; R793-S796 PolarHBondContact O-N 3.23Å; R793-S796 PolarHBondContact O-OG 2.77Å; R793-L797 PolarHBondContact O-N 2.89Å; R793-E998 IonicContact CZ-OE1 3.78Å; R793-E998 IonicContact CZ-OE2 3.34Å; R793-E998 IonicContact NH1-OE1 2.65Å; R793-E998 PolarHBondContact NH1-OE1 2.92Å; R793-E998 IonicContact NH2-OE1 2.71Å; R793-E998 PolarHBondContact NH2-OE1 3.17Å; R793-E998 IonicContact NH2-OE2 2.68Å; R793-E998 PolarHBondContact NH2-OE2 2.66Å; R793-N1029 PolarHBondContact NH2-OD1 2.8Å; R793-Y1066 PolarHBondContact NH1-OH 3.47Å; R793-S1072 PolarHBondContact NH2-OG 3.06Å
794L93Very high85.6Confident5 Ų530.7 Ų30.73%0.02615%0.153CC..Hα-helixtrans-60.2-44.1-177-178.360.7000111.4P774 V777 F790 A791 S796 L797 W838 Y1066 V1070P774-L794 HydrophobicContact CB-CD2 4.44Å; P774-L794 HydrophobicContact CG-CD2 4.21Å; V777-L794 HydrophobicContact CG2-CD2 3.65Å; F790-L794 HydrophobicContact CE1-CD2 4.42Å; F790-L794 WeakPolarHBondContact O-CB 2.99Å; F790-L794 PolarHBondContact O-N 3.47Å; A791-L794 PolarHBondContact O-N 3.48Å; L794-S796 VanDerWaalsContact C-N 3.28Å; L794-S796 PolarHBondContact O-N 3.34Å; L794-L797 WeakPolarHBondContact O-CB 3.48Å; L794-L797 PolarHBondContact O-N 2.7Å; L794-L797 VanDerWaalsContact O-N 3.14Å; L794-W838 HydrophobicContact CB-CZ3 4.44Å; L794-W838 HydrophobicContact CD2-CH2 4.01Å; L794-W838 HydrophobicContact CD2-CZ3 3.94Å; L794-W838 HydrophobicContact CG-CH2 4.29Å; L794-W838 HydrophobicContact CG-CZ3 4.22Å; L794-Y1066 HydrophobicContact CD1-CD1 4.36Å; L794-Y1066 HydrophobicContact CD1-CD2 3.38Å; L794-Y1066 HydrophobicContact CD1-CE2 3.99Å; L794-Y1066 HydrophobicContact CD1-CG 3.57Å; L794-V1070 HydrophobicContact CD1-CB 4.37Å; L794-V1070 HydrophobicContact CD1-CG1 3.88Å
795V94.4Very high83.3Confident0 Ų029.6 Ų29.60%015%0.15CC..Hα-helixtrans-61.9-35.3173.4174.60000111.9A791 R793 L797 I798 H831 L834 L835 W838 P875A791-V795 WeakPolarHBondContact O-CG2 3.31Å; A791-V795 PolarHBondContact O-N 2.97Å; R793-V795 VanDerWaalsContact C-N 3.35Å; R793-V795 PolarHBondContact O-N 3.48Å; V795-L797 PolarHBondContact O-N 2.75Å; V795-I798 WeakPolarHBondContact O-CB 3.4Å; V795-I798 PolarHBondContact O-N 2.8Å; V795-I798 VanDerWaalsContact O-N 3.08Å; V795-H831 HydrophobicContact CG1-CB 3.82Å; V795-H831 WeakPolarHBondContact CG1-O 3.42Å; V795-H831 PolarHBondContact O-CD2 3.48Å; V795-L834 HydrophobicContact CG1-CD2 4.1Å; V795-L834 HydrophobicContact CG2-CD2 3.83Å; V795-L834 HydrophobicContact CG2-CG 3.97Å; V795-L835 HydrophobicContact CG2-CB 4.28Å; V795-W838 HydrophobicContact CG2-CE3 3.73Å; V795-W838 HydrophobicContact CG2-CH2 4.02Å; V795-W838 HydrophobicContact CG2-CZ3 3.39Å; V795-P875 HydrophobicContact CB-CB 4.36Å; V795-P875 HydrophobicContact CG1-CB 3.82Å
796S92.8Very high81Confident26 Ų2626.2 Ų26.218%0.18214%0.14CC..THydrogen-bonded Turntrans-74.5-1.3177.475.20000115.5C792 R793 L794 P875 G878C792-S796 WeakPolarHBondContact O-CB 3.39Å; C792-S796 PolarHBondContact O-N 3.42Å; C792-S796 PolarHBondContact O-OG 2.89Å; R793-S796 WeakPolarHBondContact CA-OG 3.43Å; R793-S796 CarbonylContact O-C 3.52Å; R793-S796 WeakPolarHBondContact O-CA 3.4Å; R793-S796 WeakPolarHBondContact O-CB 3.38Å; R793-S796 PolarHBondContact O-N 3.23Å; R793-S796 PolarHBondContact O-OG 2.77Å; L794-S796 VanDerWaalsContact C-N 3.28Å; L794-S796 PolarHBondContact O-N 3.34Å; S796-P875 WeakPolarHBondContact CA-O 3.35Å; S796-P875 WeakPolarHBondContact CB-O 3.1Å; S796-P875 PolarHBondContact N-O 2.76Å; S796-G878 WeakPolarHBondContact OG-CA 3.31Å; S796-G878 PolarHBondContact OG-N 2.91Å
797L92.3Very high78.9Confident5 Ų526.7 Ų26.73%0.02614%0.136CC..THydrogen-bonded Turntrans-90.3-7168.4-63.4174.7000112.2R793 L794 V795 P799 G1031 Y1066 V1070R793-L797 PolarHBondContact O-N 2.89Å; L794-L797 WeakPolarHBondContact O-CB 3.48Å; L794-L797 PolarHBondContact O-N 2.7Å; L794-L797 VanDerWaalsContact O-N 3.14Å; V795-L797 PolarHBondContact O-N 2.75Å; L797-P799 WeakPolarHBondContact O-CD 3.49Å; L797-G1031 VanDerWaalsContact O-CA 3.23Å; L797-G1031 WeakPolarHBondContact O-CA 3.42Å; L797-Y1066 HydrophobicContact CD1-CD2 3.9Å; L797-Y1066 HydrophobicContact CD1-CE2 3.74Å; L797-V1070 HydrophobicContact CB-CG1 3.46Å; L797-V1070 VanDerWaalsContact CB-CG1 3.46Å; L797-V1070 HydrophobicContact CD1-CG1 4.27Å
798I91Very high76.4Confident5 Ų528.7 Ų28.73%0.02615%0.149CC..SBendtrans-74.3127.1166-57.9177.6000107.8V795 K800 L821 A826 H831 L834 V1070V795-I798 WeakPolarHBondContact O-CB 3.4Å; V795-I798 PolarHBondContact O-N 2.8Å; V795-I798 VanDerWaalsContact O-N 3.08Å; I798-K800 PolarHBondContact O-N 3.31Å; I798-L821 HydrophobicContact CD1-CD2 4.25Å; I798-A826 HydrophobicContact CG2-CB 3.95Å; I798-H831 PolarHBondContact O-NE2 3.33Å; I798-L834 HydrophobicContact CD1-CD2 3.49Å; I798-L834 VanDerWaalsContact CD1-CD2 3.49Å; I798-V1070 HydrophobicContact CG1-CG2 4.39Å
799P85.8Confident74.1Confident20 Ų2031.4 Ų31.413%0.1316%0.162CC..PPolyproline II helixtrans-57.2134.6176.6-19.522.4000113.4L797 M824 R825 A826 L1033L797-P799 WeakPolarHBondContact O-CD 3.49Å; P799-M824 VanDerWaalsContact CD-O 3.27Å; P799-M824 WeakPolarHBondContact CD-O 3.12Å; P799-M824 WeakPolarHBondContact CG-O 3.43Å; P799-R825 HydrophobicContact CB-CG 4.37Å; P799-R825 WeakPolarHBondContact O-CA 3.24Å; P799-A826 PolarHBondContact O-N 3.49Å; P799-L1033 HydrophobicContact CB-CB 4.36Å; P799-L1033 HydrophobicContact CB-CD2 4.37Å; P799-L1033 HydrophobicContact CG-CB 3.66Å; P799-L1033 HydrophobicContact CG-CD2 4.2Å; P799-L1033 HydrophobicContact CG-CG 4.4Å
800K80.6Confident72.4Confident57 Ų5729.2 Ų29.225%0.24815%0.152CC..BIsolated β-bridgetrans-78.3123.5173.9-178.8173.9178169.80111.2I798 N802 A826 E828 N856I798-K800 PolarHBondContact O-N 3.31Å; K800-N802 PolarHBondContact O-N 2.94Å; K800-N802 PolarHBondContact O-ND2 3.05Å; K800-A826 WeakPolarHBondContact CA-O 3.47Å; K800-E828 WeakPolarHBondContact CE-OE1 3.3Å; K800-E828 VanDerWaalsContact NZ-CD 3.29Å; K800-E828 IonicContact NZ-OE1 2.67Å; K800-E828 PolarHBondContact NZ-OE1 3.06Å; K800-N856 PolarHBondContact NZ-OD1 2.84Å
801D71.3Confident70.9Confident9 Ų927.6 Ų27.65%0.04815%0.145CC..PPolyproline II helixtrans-63.6125167.5-177.40.8000109.6R480 D803 V804 A826R480-D801 IonicContact NH1-OD2 2.76Å; D801-D803 PolarHBondContact OD1-N 2.99Å; D801-V804 WeakPolarHBondContact OD2-CG2 3.47Å; D801-A826 PolarHBondContact N-O 3.02Å
802N61.1Low69.9Low67 Ų6728.4 Ų28.436%0.35815%0.149SC..  trans-101.9-20.4-178.8-70.8-100000112.6S620 K659 K800S620-N802 WeakPolarHBondContact CA-O 3.42Å; S620-N802 WeakPolarHBondContact CB-O 3.39Å; S620-N802 PolarHBondContact N-O 3.04Å; S620-N802 VanDerWaalsContact N-O 3.11Å; K659-N802 PolarHBondContact NZ-OD1 2.88Å; K800-N802 PolarHBondContact O-N 2.94Å; K800-N802 PolarHBondContact O-ND2 3.05Å
803D52.9Low69.2Low49 Ų4928.6 Ų28.626%0.26215%0.15SC..  trans-102.93.6-151.7-118.8-5.4000115.3K618 S620 D801 I805K618-D803 VanDerWaalsContact NZ-CG 3.3Å; K618-D803 IonicContact NZ-OD1 3.67Å; K618-D803 PolarHBondContact NZ-OD1 3.49Å; K618-D803 IonicContact NZ-OD2 3.51Å; K618-D803 PolarHBondContact NZ-OD2 2.68Å; S620-D803 WeakPolarHBondContact CB-OD1 3.46Å; S620-D803 PolarHBondContact OG-OD1 3Å; D801-D803 PolarHBondContact OD1-N 2.99Å; D803-I805 PolarHBondContact O-N 3.12Å
804V51.1Low68.9Low28 Ų2826.3 Ų26.317%0.1714%0.141CC..  trans-55.4115.1179.9-175.80000111.8L484 A619 D801 V806 Q827L484-V804 HydrophobicContact CD1-CG1 3.7Å; A619-V804 WeakPolarHBondContact CB-O 3.48Å; D801-V804 WeakPolarHBondContact OD2-CG2 3.47Å; V804-V806 PolarHBondContact O-N 3.12Å; V804-Q827 HydrophobicContact CG2-CG 4.34Å
805I45.2Very low68.7Low61 Ų6126.2 Ų26.231%0.31314%0.141SC..  trans-61.3112.2-175-73.2-171.5000112.1F481 D803 K807F481-I805 HydrophobicContact CD2-CD1 3.62Å; F481-I805 HydrophobicContact CD2-CG1 4.14Å; F481-I805 HydrophobicContact CE2-CD1 3.26Å; F481-I805 HydrophobicContact CE2-CG1 4.2Å; F481-I805 HydrophobicContact CZ-CD1 3.86Å; D803-I805 PolarHBondContact O-N 3.12Å; I805-K807 VanDerWaalsContact C-N 3.3Å; I805-K807 HydrophobicContact CG2-CG 4.45Å; I805-K807 PolarHBondContact O-N 3.15Å
806V43.8Very low68.6Low21 Ų2127.1 Ų27.113%0.12715%0.147CC..  trans-77.885.2166.9172.20000108.8F617 A619 V804 V810F617-V806 HydrophobicContact CE2-CB 4.03Å; F617-V806 HydrophobicContact CE2-CG1 3.8Å; F617-V806 HydrophobicContact CZ-CB 4.34Å; F617-V806 HydrophobicContact CZ-CG1 3.66Å; A619-V806 HydrophobicContact CB-CB 3.98Å; A619-V806 HydrophobicContact CB-CG2 3.45Å; A619-V806 VanDerWaalsContact CB-CG2 3.45Å; V804-V806 PolarHBondContact O-N 3.12Å; V806-V810 HydrophobicContact CG1-CG2 4.15Å; V806-V810 HydrophobicContact CG2-CG2 3.98Å
807K46.4Very low68.5Low41 Ų4125.9 Ų25.918%0.17814%0.138CC..  trans-66.1157.3140-85.4-176.8176.8179.60109.1T488 H489 I805 E809T488-K807 HydrophobicContact CG2-CD 4.05Å; T488-K807 PolarHBondContact O-NZ 3.18Å; T488-K807 VanDerWaalsContact OG1-CD 3.23Å; T488-K807 WeakPolarHBondContact OG1-CD 3.36Å; T488-K807 WeakPolarHBondContact OG1-CE 3.32Å; T488-K807 PolarHBondContact OG1-NZ 3.26Å; H489-K807 PolarHBondContact CD2-NZ 3.21Å; H489-K807 PolarHBondContact NE2-NZ 2.86Å; I805-K807 VanDerWaalsContact C-N 3.3Å; I805-K807 HydrophobicContact CG2-CG 4.45Å; I805-K807 PolarHBondContact O-N 3.15Å; K807-E809 PolarHBondContact O-N 3.37Å; K807-E809 VanDerWaalsContact O-N 3.13Å
808P41.1Very low68.4Low41 Ų4129.6 Ų29.627%0.26616%0.155SC..SBendtrans-72.4-15.2-158.7-24.838.6000116I715 G716I715-P808 HydrophobicContact CB-CB 3.76Å; I715-P808 HydrophobicContact CB-CG 3.59Å; I715-P808 HydrophobicContact CD1-CB 4.06Å; I715-P808 HydrophobicContact CD1-CG 4.38Å; I715-P808 HydrophobicContact CG1-CB 4.3Å; I715-P808 HydrophobicContact CG2-CB 4.4Å; I715-P808 HydrophobicContact CG2-CG 3.72Å; G716-P808 VanDerWaalsContact O-CB 3.3Å; G716-P808 WeakPolarHBondContact O-CB 3.45Å; G716-P808 WeakPolarHBondContact O-CG 3.39Å
809E47.1Very low68.2Low57 Ų5730.9 Ų30.927%0.26616%0.161SC..SBendtrans-115.9100.7172.2-62.8-172.8129.100105.8Q717 V718 I720 K807 V811Q717-E809 VanDerWaalsContact CA-OE2 3.3Å; Q717-E809 WeakPolarHBondContact CA-OE2 3.4Å; Q717-E809 WeakPolarHBondContact CB-OE1 3.27Å; Q717-E809 WeakPolarHBondContact CB-OE2 3.07Å; Q717-E809 VanDerWaalsContact CG-OE1 3.3Å; Q717-E809 WeakPolarHBondContact CG-OE1 3.28Å; Q717-E809 PolarHBondContact NE2-OE1 3.35Å; V718-E809 PolarHBondContact N-OE2 2.82Å; I720-E809 HydrophobicContact CD1-CB 4.24Å; K807-E809 PolarHBondContact O-N 3.37Å; K807-E809 VanDerWaalsContact O-N 3.13Å; E809-V811 PolarHBondContact O-N 2.93Å; E809-V811 VanDerWaalsContact O-N 3.09Å
810V55.3Low68.3Low34 Ų3430 Ų3021%0.20616%0.155CC..  trans-77.1104.8-171.3-176.60000109V806 Q812 Y859V806-V810 HydrophobicContact CG1-CG2 4.15Å; V806-V810 HydrophobicContact CG2-CG2 3.98Å; V810-Q812 PolarHBondContact O-N 2.88Å; V810-Q812 VanDerWaalsContact O-N 3.14Å; V810-Y859 HydrophobicContact CB-CD2 3.86Å; V810-Y859 HydrophobicContact CB-CE1 4.19Å; V810-Y859 HydrophobicContact CB-CE2 3.42Å; V810-Y859 VanDerWaalsContact CB-CE2 3.42Å; V810-Y859 HydrophobicContact CB-CG 4.44Å; V810-Y859 HydrophobicContact CG1-CD2 4.32Å; V810-Y859 HydrophobicContact CG1-CE2 4.35Å; V810-Y859 HydrophobicContact CG2-CD2 3.91Å; V810-Y859 HydrophobicContact CG2-CE2 3.38Å; V810-Y859 PolarHBondContact N-OH 3.45Å
811V62.2Low68.7Low6 Ų628 Ų284%0.03615%0.147CC..  trans-56.3109.4153.9167.40000107.3L484 L487 I720 F755 E809 I813L484-V811 HydrophobicContact CD2-CB 3.57Å; L484-V811 HydrophobicContact CD2-CG1 3.73Å; L487-V811 HydrophobicContact CD1-CG1 3.62Å; L487-V811 HydrophobicContact CD1-CG2 4.28Å; I720-V811 HydrophobicContact CB-CG2 4.49Å; I720-V811 HydrophobicContact CD1-CG2 3.56Å; I720-V811 HydrophobicContact CG1-CG2 3.74Å; I720-V811 HydrophobicContact CG2-CG2 3.88Å; F755-V811 HydrophobicContact CB-CG1 4.27Å; F755-V811 HydrophobicContact CD2-CB 4.48Å; F755-V811 HydrophobicContact CD2-CG1 3.58Å; F755-V811 HydrophobicContact CE2-CG1 3.99Å; F755-V811 HydrophobicContact CE2-CG2 4.18Å; F755-V811 HydrophobicContact CG-CG1 3.94Å; E809-V811 PolarHBondContact O-N 2.93Å; E809-V811 VanDerWaalsContact O-N 3.09Å; V811-I813 HydrophobicContact CG1-CG1 4Å
812Q73.1Confident69.2Low16 Ų1631.7 Ų31.78%0.07516%0.164CC..  trans-79.1121.3166.6-64.3-166.1-91.400108.7V754 F755 V810 Y859V754-Q812 HydrophobicContact CG1-CB 4.15Å; F755-Q812 PolarHBondContact N-O 2.84Å; V810-Q812 PolarHBondContact O-N 2.88Å; V810-Q812 VanDerWaalsContact O-N 3.14Å; Q812-Y859 HydrophobicContact CG-CD1 3.99Å; Q812-Y859 HydrophobicContact CG-CG 4.43Å
813I79.4Confident70Confident4 Ų428.8 Ų28.82%0.02115%0.149CC..BIsolated β-bridgetrans-100.7124.4168.1-59.6164.5000106.8R480 L483 L484 F755 M757 V811 Q827R480-I813 HydrophobicContact CB-CD1 4.11Å; R480-I813 HydrophobicContact CG-CD1 4.18Å; R480-I813 HydrophobicContact CG-CG2 4.21Å; L483-I813 HydrophobicContact CB-CD1 4.26Å; L483-I813 HydrophobicContact CD2-CD1 3.75Å; L483-I813 HydrophobicContact CD2-CG1 4.15Å; L483-I813 HydrophobicContact CG-CD1 3.99Å; L484-I813 HydrophobicContact CD1-CD1 4.48Å; L484-I813 HydrophobicContact CD2-CD1 4.1Å; L484-I813 HydrophobicContact CG-CD1 3.82Å; F755-I813 HydrophobicContact CB-CG1 4.31Å; F755-I813 CarbonylContact O-C 3.12Å; F755-I813 VanDerWaalsContact O-CA 3.29Å; F755-I813 WeakPolarHBondContact O-CA 3.35Å; M757-I813 HydrophobicContact CG-CG2 4.37Å; M757-I813 HydrophobicContact SD-CG2 3.64Å; V811-I813 HydrophobicContact CG1-CG1 4Å; I813-Q827 PolarHBondContact O-NE2 3.36Å
814W87.5Confident71.5Confident1 Ų126.9 Ų26.90%0.00414%0.138CC..  trans-117.4122.8179-70.718.3000110V754 F755 V764 Y767 A829 T833 L848 L850V754-W814 HydrophobicContact CB-CD2 4.21Å; V754-W814 HydrophobicContact CB-CG 4.16Å; V754-W814 HydrophobicContact CG1-CD2 4.09Å; V754-W814 HydrophobicContact CG1-CG 4.41Å; V754-W814 HydrophobicContact CG1-CZ2 3.93Å; V754-W814 HydrophobicContact CG2-CB 4.19Å; V754-W814 HydrophobicContact CG2-CD2 3.76Å; V754-W814 HydrophobicContact CG2-CE3 3.97Å; V754-W814 HydrophobicContact CG2-CG 3.88Å; F755-W814 PolarHBondContact O-N 2.69Å; V764-W814 HydrophobicContact CG1-CH2 3.7Å; V764-W814 HydrophobicContact CG1-CZ3 3.87Å; V764-W814 HydrophobicContact CG2-CH2 4.35Å; Y767-W814 HydrophobicContact CD1-CB 4.26Å; Y767-W814 HydrophobicContact CD1-CE3 4.07Å; Y767-W814 AromaticContact CD2-CE3 3.94Å; Y767-W814 HydrophobicContact CD2-CE3 3.94Å; Y767-W814 HydrophobicContact CD2-CZ3 4.46Å; Y767-W814 HydrophobicContact CE1-CB 3.62Å; Y767-W814 HydrophobicContact CE1-CE3 4.47Å; Y767-W814 VanDerWaalsContact CE1-O 3.32Å; Y767-W814 WeakPolarHBondContact CE1-O 3.27Å; Y767-W814 HydrophobicContact CE2-CB 4.4Å; Y767-W814 HydrophobicContact CE2-CE3 4.36Å; Y767-W814 AromaticContact CG-CE3 3.77Å; Y767-W814 HydrophobicContact CG-CE3 3.77Å; Y767-W814 HydrophobicContact CG-CZ3 4.32Å; Y767-W814 PolarHBondContact OH-O 2.82Å; W814-A829 HydrophobicContact CD2-CB 3.93Å; W814-A829 HydrophobicContact CG-CB 4.23Å; W814-A829 HydrophobicContact CZ2-CB 3.71Å; W814-A829 VanDerWaalsContact NE1-CB 3.26Å; W814-T833 HydrophobicContact CE3-CG2 3.87Å; W814-T833 HydrophobicContact CH2-CG2 4.45Å; W814-T833 HydrophobicContact CZ3-CG2 3.62Å; W814-L848 HydrophobicContact CH2-CD2 3.84Å; W814-L848 HydrophobicContact CZ3-CD2 4.09Å; W814-L850 HydrophobicContact CH2-CD1 4.13Å; W814-L850 HydrophobicContact CH2-CD2 4.1Å; W814-L850 HydrophobicContact CZ2-CD1 4.3Å; W814-L850 HydrophobicContact CZ2-CD2 4.07Å
815S87.9Confident72.9Confident2 Ų227.8 Ų27.81%0.01414%0.139CC..  trans-76.9159.4169.5-84.10000113.1R480 M757 E819 E830R480-S815 PolarHBondContact NH2-OG 3.27Å; M757-S815 VanDerWaalsContact CG-OG 3.27Å; M757-S815 WeakPolarHBondContact CG-OG 3.27Å; S815-E819 WeakPolarHBondContact CA-OE2 3.45Å; S815-E819 WeakPolarHBondContact CB-OE2 3.48Å; S815-E819 PolarHBondContact OG-OE2 2.78Å; S815-E830 WeakPolarHBondContact CB-OE1 3.43Å; S815-E830 PolarHBondContact N-OE1 2.76Å
816T91.9Very high74.8Confident20 Ų2024.9 Ų24.912%0.12312%0.124CC..  trans-70.2165.9165.461.60000111.4E818 E819 T820 V941T816-E818 VanDerWaalsContact C-N 3.27Å; T816-E818 PolarHBondContact O-N 2.77Å; T816-E819 WeakPolarHBondContact CB-OE1 3.09Å; T816-E819 VanDerWaalsContact CG2-OE1 3.25Å; T816-E819 WeakPolarHBondContact CG2-OE1 3.3Å; T816-E819 PolarHBondContact N-OE1 3.33Å; T816-E819 PolarHBondContact N-OE2 3.37Å; T816-E819 PolarHBondContact O-N 2.87Å; T816-E819 VanDerWaalsContact OG1-CG 3.27Å; T816-E819 WeakPolarHBondContact OG1-CG 3.36Å; T816-E819 PolarHBondContact OG1-N 3.36Å; T816-E819 PolarHBondContact OG1-OE1 2.83Å; T816-T820 WeakPolarHBondContact O-CB 3.46Å; T816-T820 PolarHBondContact O-N 2.64Å; T816-T820 PolarHBondContact O-OG1 2.88Å; T816-V941 WeakPolarHBondContact CG2-O 3.38Å
817I92.1Very high76.6Confident0 Ų025.1 Ų25.10%012%0.123CC..Hα-helixtrans-62.3-36.5176-79.9166.9000111.5I771 T820 L821 L834 C837 Q942 V946I771-I817 HydrophobicContact CD1-CD1 3.99Å; I817-T820 PolarHBondContact O-N 3.05Å; I817-L821 HydrophobicContact CG2-CD1 3.9Å; I817-L821 VanDerWaalsContact O-CG 3.32Å; I817-L821 WeakPolarHBondContact O-CG 3.4Å; I817-L821 PolarHBondContact O-N 2.81Å; I817-L834 HydrophobicContact CB-CD1 4.31Å; I817-L834 HydrophobicContact CD1-CD1 4.22Å; I817-L834 HydrophobicContact CG1-CB 4.37Å; I817-L834 HydrophobicContact CG1-CD1 3.88Å; I817-L834 HydrophobicContact CG2-CD1 3.63Å; I817-C837 HydrophobicContact CD1-CB 3.44Å; I817-C837 VanDerWaalsContact CD1-CB 3.44Å; I817-C837 VanDerWaalsContact CD1-SG 3.54Å; I817-Q942 HydrophobicContact CD1-CG 4.47Å; I817-V946 HydrophobicContact CG2-CG2 3.93Å
818E89.3Confident78.5Confident83 Ų8324.4 Ų24.439%0.38812%0.121SC..Hα-helixtrans-67.6-49.2177.4-179.9160.1-127.500111.3T816 T820 L821 Q822 P943T816-E818 VanDerWaalsContact C-N 3.27Å; T816-E818 PolarHBondContact O-N 2.77Å; E818-T820 VanDerWaalsContact C-N 3.26Å; E818-T820 PolarHBondContact O-N 3.06Å; E818-L821 PolarHBondContact O-N 3.46Å; E818-Q822 WeakPolarHBondContact O-CB 3.29Å; E818-Q822 VanDerWaalsContact O-CG 3.26Å; E818-Q822 WeakPolarHBondContact O-CG 3.21Å; E818-Q822 PolarHBondContact O-N 3.49Å; E818-P943 HydrophobicContact CB-CG 4.24Å
819E86.6Confident80.9Confident32 Ų3222.5 Ų22.515%0.1511%0.108CC..Hα-helixtrans-55.4-40.4170.5-72.3157.6-124.900112.5M757 S815 T816 Q822 T823M757-E819 VanDerWaalsContact CG-OE2 3.23Å; M757-E819 WeakPolarHBondContact CG-OE2 3.4Å; S815-E819 WeakPolarHBondContact CA-OE2 3.45Å; S815-E819 WeakPolarHBondContact CB-OE2 3.48Å; S815-E819 PolarHBondContact OG-OE2 2.78Å; T816-E819 WeakPolarHBondContact CB-OE1 3.09Å; T816-E819 VanDerWaalsContact CG2-OE1 3.25Å; T816-E819 WeakPolarHBondContact CG2-OE1 3.3Å; T816-E819 PolarHBondContact N-OE1 3.33Å; T816-E819 PolarHBondContact N-OE2 3.37Å; T816-E819 PolarHBondContact O-N 2.87Å; T816-E819 VanDerWaalsContact OG1-CG 3.27Å; T816-E819 WeakPolarHBondContact OG1-CG 3.36Å; T816-E819 PolarHBondContact OG1-N 3.36Å; T816-E819 PolarHBondContact OG1-OE1 2.83Å; E819-Q822 PolarHBondContact O-N 3.33Å; E819-T823 WeakPolarHBondContact O-CB 3.32Å; E819-T823 VanDerWaalsContact O-CG2 3.31Å; E819-T823 WeakPolarHBondContact O-CG2 3.48Å; E819-T823 PolarHBondContact O-N 3.31Å; E819-T823 PolarHBondContact O-OG1 3.38Å
820T88.3Confident83Confident0 Ų019.8 Ų19.80%010%0.096CC..Hα-helixtrans-65.5-38.4-179.9-560000111.7T816 I817 E818 M824 A826 E830T816-T820 WeakPolarHBondContact O-CB 3.46Å; T816-T820 PolarHBondContact O-N 2.64Å; T816-T820 PolarHBondContact O-OG1 2.88Å; I817-T820 PolarHBondContact O-N 3.05Å; E818-T820 VanDerWaalsContact C-N 3.26Å; E818-T820 PolarHBondContact O-N 3.06Å; T820-M824 PolarHBondContact O-N 3.2Å; T820-A826 HydrophobicContact CG2-CB 3.79Å; T820-E830 HydrophobicContact CG2-CB 4.31Å
821L88.3Confident84.8Confident17 Ų1718.2 Ų18.29%0.0899%0.086CC..Hα-helixtrans-81.1-26177.8-68.2167.6000112.9I798 I817 E818 M824 V946 Y948 C1068I798-L821 HydrophobicContact CD1-CD2 4.25Å; I817-L821 HydrophobicContact CG2-CD1 3.9Å; I817-L821 VanDerWaalsContact O-CG 3.32Å; I817-L821 WeakPolarHBondContact O-CG 3.4Å; I817-L821 PolarHBondContact O-N 2.81Å; E818-L821 PolarHBondContact O-N 3.46Å; L821-M824 WeakPolarHBondContact O-CG 3.11Å; L821-V946 HydrophobicContact CD1-CG1 3.75Å; L821-Y948 HydrophobicContact CD1-CD1 4.38Å; L821-Y948 HydrophobicContact CD1-CE1 3.9Å; L821-C1068 HydrophobicContact CD2-CB 4.22Å
822Q83.2Confident86.4Confident86 Ų8617.9 Ų17.940%0.4028%0.084SC..Hα-helixtrans-75.1-38.2172.4-72.8170.9-1.200112.3E818 E819E818-Q822 WeakPolarHBondContact O-CB 3.29Å; E818-Q822 VanDerWaalsContact O-CG 3.26Å; E818-Q822 WeakPolarHBondContact O-CG 3.21Å; E818-Q822 PolarHBondContact O-N 3.49Å; E819-Q822 PolarHBondContact O-N 3.33Å
823T78Confident87.5Confident5 Ų517.2 Ų17.23%0.0318%0.081CC..Hα-helixtrans-86.6-19.9-179.556.10000113.5L472 A473 A476 E819 R825L472-T823 HydrophobicContact CB-CG2 4.39Å; A473-T823 WeakPolarHBondContact CB-O 3.43Å; A476-T823 HydrophobicContact CB-CG2 3.7Å; E819-T823 WeakPolarHBondContact O-CB 3.32Å; E819-T823 VanDerWaalsContact O-CG2 3.31Å; E819-T823 WeakPolarHBondContact O-CG2 3.48Å; E819-T823 PolarHBondContact O-N 3.31Å; E819-T823 PolarHBondContact O-OG1 3.38Å; T823-R825 PolarHBondContact O-N 2.87Å
824M83.5Confident88.3Confident9 Ų917 Ų174%0.0448%0.08CC..THydrogen-bonded Turntrans52.730-179.1-67.2-66.1-7800113.9C469 P799 T820 L821 C1068 S1069 V1070C469-M824 HydrophobicContact CB-CB 4.13Å; C469-M824 HydrophobicContact CB-CG 4.16Å; P799-M824 VanDerWaalsContact CD-O 3.27Å; P799-M824 WeakPolarHBondContact CD-O 3.12Å; P799-M824 WeakPolarHBondContact CG-O 3.43Å; T820-M824 PolarHBondContact O-N 3.2Å; L821-M824 WeakPolarHBondContact O-CG 3.11Å; M824-C1068 VanDerWaalsContact CE-O 3.28Å; M824-C1068 WeakPolarHBondContact CE-O 3.31Å; M824-C1068 VanDerWaalsContact SD-O 3.38Å; M824-S1069 VanDerWaalsContact CE-O 3.31Å; M824-S1069 WeakPolarHBondContact CE-O 3.41Å; M824-V1070 HydrophobicContact CE-CB 4.3Å; M824-V1070 HydrophobicContact CE-CG2 3.72Å; M824-V1070 HydrophobicContact SD-CG2 4.3Å
825R80.4Confident88.7Confident48 Ų4817 Ų1718%0.1818%0.08CC..  trans-135.8145165.2-78.5-161.3-174.4-173.70.2109.8A473 P799 T823 L1033A473-R825 HydrophobicContact CB-CB 4.3Å; A473-R825 HydrophobicContact CB-CG 3.75Å; P799-R825 HydrophobicContact CB-CG 4.37Å; P799-R825 WeakPolarHBondContact O-CA 3.24Å; T823-R825 PolarHBondContact O-N 2.87Å; R825-L1033 HydrophobicContact CG-CD2 3.8Å
826A84.9Confident89.2Confident0 Ų016.9 Ų16.90%08%0.08CC..BIsolated β-bridgetrans-141143.6-179.200000112.5I798 P799 K800 D801 T820 E830 H831I798-A826 HydrophobicContact CG2-CB 3.95Å; P799-A826 PolarHBondContact O-N 3.49Å; K800-A826 WeakPolarHBondContact CA-O 3.47Å; D801-A826 PolarHBondContact N-O 3.02Å; T820-A826 HydrophobicContact CG2-CB 3.79Å; A826-E830 HydrophobicContact CB-CB 3.89Å; A826-H831 VanDerWaalsContact CB-CE1 3.44Å; A826-H831 WeakPolarHBondContact CB-CE1 3.36Å; A826-H831 VanDerWaalsContact CB-ND1 3.31Å; A826-H831 WeakPolarHBondContact CB-ND1 3.33Å; A826-H831 PolarHBondContact O-CE1 2.91Å
827Q82.4Confident89.4Confident25 Ų2516 Ų1612%0.1177%0.074CC..  trans-77.4168.4160.6-65.9176.348.500110.3V804 I813 A829 E830 H831V804-Q827 HydrophobicContact CG2-CG 4.34Å; I813-Q827 PolarHBondContact O-NE2 3.36Å; Q827-A829 PolarHBondContact O-N 3.22Å; Q827-E830 HydrophobicContact CB-CG 4.48Å; Q827-E830 PolarHBondContact N-OE2 2.98Å; Q827-E830 PolarHBondContact O-N 2.93Å; Q827-H831 PolarHBondContact O-N 3.14Å; Q827-H831 VanDerWaalsContact O-N 3.08Å; Q827-H831 PolarHBondContact O-ND1 3.18Å
828E86.8Confident89.6Confident26 Ų2616.2 Ų16.212%0.1218%0.075CC..Hα-helixtrans-53.9-40.3176.3-75.9162.6-120.100112.9K800 E830 A832 N856 A860 A861K800-E828 WeakPolarHBondContact CE-OE1 3.3Å; K800-E828 VanDerWaalsContact NZ-CD 3.29Å; K800-E828 IonicContact NZ-OE1 2.67Å; K800-E828 PolarHBondContact NZ-OE1 3.06Å; E828-E830 VanDerWaalsContact C-N 3.33Å; E828-E830 PolarHBondContact O-N 2.96Å; E828-A832 WeakPolarHBondContact O-CB 3.47Å; E828-A832 PolarHBondContact O-N 3.23Å; E828-A832 VanDerWaalsContact O-N 3.07Å; E828-N856 WeakPolarHBondContact OE1-CB 3.29Å; E828-N856 WeakPolarHBondContact OE2-CB 3.27Å; E828-A860 WeakPolarHBondContact OE2-CA 3.49Å; E828-A861 HydrophobicContact CB-CB 4.48Å
829A89.8Confident90Very high1 Ų112.3 Ų12.31%0.0086%0.056CC..Hα-helixtrans-60.6-41.4176.200000112.8W814 Q827 A832 T833 A861W814-A829 HydrophobicContact CD2-CB 3.93Å; W814-A829 HydrophobicContact CG-CB 4.23Å; W814-A829 HydrophobicContact CZ2-CB 3.71Å; W814-A829 VanDerWaalsContact NE1-CB 3.26Å; Q827-A829 PolarHBondContact O-N 3.22Å; A829-A832 CarbonylContact O-C 3.57Å; A829-A832 PolarHBondContact O-N 3.25Å; A829-A832 VanDerWaalsContact O-N 3.14Å; A829-T833 PolarHBondContact O-N 3.16Å; A829-T833 PolarHBondContact O-OG1 3.19Å; A829-A861 HydrophobicContact CB-CB 4.27Å
830E91.8Very high90.4Very high0 Ų011.8 Ų11.80%05%0.054CC..Hα-helixtrans-74.3-39.5-174.7-67.2162.2164.800111R480 S815 T820 A826 Q827 E828 A832 T833 L834R480-E830 IonicContact CZ-OE1 2.93Å; R480-E830 IonicContact CZ-OE2 3.58Å; R480-E830 IonicContact NH1-OE1 3.21Å; R480-E830 IonicContact NH1-OE2 3.33Å; R480-E830 PolarHBondContact NH1-OE2 2.74Å; R480-E830 VanDerWaalsContact NH2-CD 3.27Å; R480-E830 IonicContact NH2-OE1 2.65Å; R480-E830 PolarHBondContact NH2-OE1 3.07Å; R480-E830 IonicContact NH2-OE2 3.59Å; R480-E830 PolarHBondContact NH2-OE2 3.47Å; R480-E830 VanDerWaalsContact NH2-OE2 3.16Å; S815-E830 WeakPolarHBondContact CB-OE1 3.43Å; S815-E830 PolarHBondContact N-OE1 2.76Å; T820-E830 HydrophobicContact CG2-CB 4.31Å; A826-E830 HydrophobicContact CB-CB 3.89Å; Q827-E830 HydrophobicContact CB-CG 4.48Å; Q827-E830 PolarHBondContact N-OE2 2.98Å; Q827-E830 PolarHBondContact O-N 2.93Å; E828-E830 VanDerWaalsContact C-N 3.33Å; E828-E830 PolarHBondContact O-N 2.96Å; E830-A832 VanDerWaalsContact C-N 3.25Å; E830-A832 PolarHBondContact O-N 2.85Å; E830-T833 WeakPolarHBondContact CA-OG1 3.41Å; E830-T833 PolarHBondContact O-OG1 3.21Å; E830-T833 VanDerWaalsContact O-OG1 3.14Å; E830-L834 WeakPolarHBondContact O-CB 3.3Å; E830-L834 PolarHBondContact O-N 3.19Å
831H93.7Very high90.7Very high1 Ų111.9 Ų11.91%0.0056%0.056CC..Hα-helixtrans-57-40.4166.1-68.786.4000111.5V795 I798 A826 Q827 L835 P875V795-H831 HydrophobicContact CG1-CB 3.82Å; V795-H831 WeakPolarHBondContact CG1-O 3.42Å; V795-H831 PolarHBondContact O-CD2 3.48Å; I798-H831 PolarHBondContact O-NE2 3.33Å; A826-H831 VanDerWaalsContact CB-CE1 3.44Å; A826-H831 WeakPolarHBondContact CB-CE1 3.36Å; A826-H831 VanDerWaalsContact CB-ND1 3.31Å; A826-H831 WeakPolarHBondContact CB-ND1 3.33Å; A826-H831 PolarHBondContact O-CE1 2.91Å; Q827-H831 PolarHBondContact O-N 3.14Å; Q827-H831 VanDerWaalsContact O-N 3.08Å; Q827-H831 PolarHBondContact O-ND1 3.18Å; H831-L835 WeakPolarHBondContact O-CB 3.33Å; H831-L835 PolarHBondContact O-N 3.17Å; H831-P875 HydrophobicContact CB-CB 3.95Å; H831-P875 HydrophobicContact CB-CG 3.88Å; H831-P875 PolarHBondContact CD2-O 3.15Å; H831-P875 WeakPolarHBondContact O-CG 2.98Å
832A96.2Very high91Very high0 Ų011.1 Ų11.10%05%0.052CC..Hα-helixtrans-78.6-36.1-175.800000113.8E828 A829 E830 C836 L848 A861 V863 P875E828-A832 WeakPolarHBondContact O-CB 3.47Å; E828-A832 PolarHBondContact O-N 3.23Å; E828-A832 VanDerWaalsContact O-N 3.07Å; A829-A832 CarbonylContact O-C 3.57Å; A829-A832 PolarHBondContact O-N 3.25Å; A829-A832 VanDerWaalsContact O-N 3.14Å; E830-A832 VanDerWaalsContact C-N 3.25Å; E830-A832 PolarHBondContact O-N 2.85Å; A832-C836 WeakPolarHBondContact O-CB 3.38Å; A832-C836 PolarHBondContact O-N 3Å; A832-L848 HydrophobicContact CB-CD1 3.39Å; A832-A861 HydrophobicContact CB-CB 3.7Å; A832-V863 HydrophobicContact CB-CG2 4.14Å; A832-V863 VanDerWaalsContact O-CG2 3.29Å; A832-V863 WeakPolarHBondContact O-CG2 3.26Å; A832-P875 HydrophobicContact CB-CG 3.96Å
833T95.7Very high91.6Very high1 Ų113.6 Ų13.61%0.0066%0.063CC..Hα-helixtrans-67.1-42170.551.10000110.9L768 W814 A829 E830 C836 C837 L848L768-T833 HydrophobicContact CD2-CG2 4.34Å; W814-T833 HydrophobicContact CE3-CG2 3.87Å; W814-T833 HydrophobicContact CH2-CG2 4.45Å; W814-T833 HydrophobicContact CZ3-CG2 3.62Å; A829-T833 PolarHBondContact O-N 3.16Å; A829-T833 PolarHBondContact O-OG1 3.19Å; E830-T833 WeakPolarHBondContact CA-OG1 3.41Å; E830-T833 PolarHBondContact O-OG1 3.21Å; E830-T833 VanDerWaalsContact O-OG1 3.14Å; T833-C836 PolarHBondContact O-N 3.16Å; T833-C837 WeakPolarHBondContact O-CB 3.32Å; T833-C837 PolarHBondContact O-N 2.77Å; T833-C837 PolarHBondContact O-SG 2.71Å; T833-L848 HydrophobicContact CG2-CD2 4Å
834L95.7Very high92.4Very high0 Ų013.5 Ų13.50%06%0.063CC..Hα-helixtrans-57.4-56.7175.3-178.362.9000111.8V795 I798 I817 E830 C836 C837 W838V795-L834 HydrophobicContact CG1-CD2 4.1Å; V795-L834 HydrophobicContact CG2-CD2 3.83Å; V795-L834 HydrophobicContact CG2-CG 3.97Å; I798-L834 HydrophobicContact CD1-CD2 3.49Å; I798-L834 VanDerWaalsContact CD1-CD2 3.49Å; I817-L834 HydrophobicContact CB-CD1 4.31Å; I817-L834 HydrophobicContact CD1-CD1 4.22Å; I817-L834 HydrophobicContact CG1-CB 4.37Å; I817-L834 HydrophobicContact CG1-CD1 3.88Å; I817-L834 HydrophobicContact CG2-CD1 3.63Å; E830-L834 WeakPolarHBondContact O-CB 3.3Å; E830-L834 PolarHBondContact O-N 3.19Å; L834-C836 VanDerWaalsContact C-N 3.31Å; L834-C836 PolarHBondContact O-N 3.21Å; L834-C837 PolarHBondContact O-N 3.01Å; L834-W838 HydrophobicContact CD1-CD2 4.28Å; L834-W838 HydrophobicContact CD1-CZ2 3.75Å; L834-W838 HydrophobicContact CD2-CH2 4.37Å; L834-W838 HydrophobicContact CD2-CZ2 4.24Å; L834-W838 HydrophobicContact CG-CD2 4.35Å; L834-W838 HydrophobicContact CG-CH2 4.48Å; L834-W838 HydrophobicContact CG-CZ2 4.08Å; L834-W838 PolarHBondContact O-N 3.45Å; L834-W838 VanDerWaalsContact O-N 3.07Å
835L97Very high92.9Very high0 Ų016.4 Ų16.40%08%0.082CC..Hα-helixtrans-60-40.6178178.163.2000111.8A791 C792 V795 H831 L839 V863 C873 P875A791-L835 HydrophobicContact CB-CD1 3.6Å; C792-L835 HydrophobicContact CB-CD1 4.49Å; C792-L835 HydrophobicContact CB-CD2 4.02Å; V795-L835 HydrophobicContact CG2-CB 4.28Å; H831-L835 WeakPolarHBondContact O-CB 3.33Å; H831-L835 PolarHBondContact O-N 3.17Å; L835-L839 HydrophobicContact CD1-CD1 3.94Å; L835-L839 HydrophobicContact CD1-CG 3.99Å; L835-L839 HydrophobicContact CG-CD1 3.98Å; L835-L839 HydrophobicContact CG-CG 4.38Å; L835-L839 WeakPolarHBondContact O-CB 3.39Å; L835-L839 VanDerWaalsContact O-CG 3.27Å; L835-L839 WeakPolarHBondContact O-CG 3.1Å; L835-L839 PolarHBondContact O-N 2.63Å; L835-V863 HydrophobicContact CB-CG2 4.11Å; L835-V863 HydrophobicContact CD2-CB 4.06Å; L835-V863 HydrophobicContact CD2-CG2 3.98Å; L835-V863 HydrophobicContact CG-CB 4.46Å; L835-V863 HydrophobicContact CG-CG2 4.13Å; L835-C873 HydrophobicContact CD2-CB 3.78Å; L835-P875 HydrophobicContact CB-CB 4.07Å; L835-P875 HydrophobicContact CB-CG 4.43Å; L835-P875 HydrophobicContact CD2-CB 3.82Å; L835-P875 HydrophobicContact CD2-CG 4.24Å
836C97.4Very high93.7Very high1 Ų114.3 Ų14.31%0.0078%0.075CC..Hα-helixtrans-64.8-43.7179.3-165.60000111.6L768 A832 T833 L834 L839 L840 V863L768-C836 HydrophobicContact CD2-CB 3.82Å; A832-C836 WeakPolarHBondContact O-CB 3.38Å; A832-C836 PolarHBondContact O-N 3Å; T833-C836 PolarHBondContact O-N 3.16Å; L834-C836 VanDerWaalsContact C-N 3.31Å; L834-C836 PolarHBondContact O-N 3.21Å; C836-L839 PolarHBondContact O-N 2.8Å; C836-L840 WeakPolarHBondContact O-CB 3.5Å; C836-L840 WeakPolarHBondContact O-CG 3.47Å; C836-L840 PolarHBondContact O-N 3.19Å; C836-V863 HydrophobicContact CB-CG1 4.31Å; C836-V863 HydrophobicContact CB-CG2 4.16Å
837C96.8Very high94.3Very high0 Ų016.4 Ų16.40%08%0.084CC..Hα-helixtrans-66.2-40.1-179.8-66.10000112.6Y767 R769 I771 I817 T833 L834 L840 G841Y767-C837 PolarHBondContact O-SG 2.83Å; R769-C837 PolarHBondContact N-SG 2.96Å; R769-C837 WeakPolarHBondContact O-CA 3.49Å; R769-C837 WeakPolarHBondContact O-CB 3.29Å; R769-C837 PolarHBondContact O-SG 2.86Å; R769-C837 VanDerWaalsContact O-SG 3.41Å; I771-C837 HydrophobicContact CB-CB 4.34Å; I771-C837 HydrophobicContact CD1-CB 4.37Å; I771-C837 PolarHBondContact N-O 3.43Å; I817-C837 HydrophobicContact CD1-CB 3.44Å; I817-C837 VanDerWaalsContact CD1-CB 3.44Å; I817-C837 VanDerWaalsContact CD1-SG 3.54Å; T833-C837 WeakPolarHBondContact O-CB 3.32Å; T833-C837 PolarHBondContact O-N 2.77Å; T833-C837 PolarHBondContact O-SG 2.71Å; L834-C837 PolarHBondContact O-N 3.01Å; C837-L840 PolarHBondContact O-N 2.86Å; C837-G841 PolarHBondContact O-N 3.14Å
838W96Very high95Very high6 Ų615.2 Ų15.22%0.0238%0.079CC..Hα-helixtrans-60-46.4172.5-77.21.2000112.7P773 P774 V777 A791 L794 V795 L834 G841 L842 Y948P773-W838 HydrophobicContact CB-CB 3.85Å; P773-W838 HydrophobicContact CB-CD2 3.8Å; P773-W838 HydrophobicContact CB-CE3 4.25Å; P773-W838 HydrophobicContact CB-CG 3.61Å; P774-W838 VanDerWaalsContact CD-CE2 3.45Å; P774-W838 HydrophobicContact CG-CH2 3.72Å; P774-W838 HydrophobicContact CG-CZ2 3.6Å; P774-W838 HydrophobicContact CG-CZ3 4.47Å; V777-W838 HydrophobicContact CG2-CZ3 4.46Å; A791-W838 HydrophobicContact CB-CE3 4.35Å; L794-W838 HydrophobicContact CB-CZ3 4.44Å; L794-W838 HydrophobicContact CD2-CH2 4.01Å; L794-W838 HydrophobicContact CD2-CZ3 3.94Å; L794-W838 HydrophobicContact CG-CH2 4.29Å; L794-W838 HydrophobicContact CG-CZ3 4.22Å; V795-W838 HydrophobicContact CG2-CE3 3.73Å; V795-W838 HydrophobicContact CG2-CH2 4.02Å; V795-W838 HydrophobicContact CG2-CZ3 3.39Å; L834-W838 HydrophobicContact CD1-CD2 4.28Å; L834-W838 HydrophobicContact CD1-CZ2 3.75Å; L834-W838 HydrophobicContact CD2-CH2 4.37Å; L834-W838 HydrophobicContact CD2-CZ2 4.24Å; L834-W838 HydrophobicContact CG-CD2 4.35Å; L834-W838 HydrophobicContact CG-CH2 4.48Å; L834-W838 HydrophobicContact CG-CZ2 4.08Å; L834-W838 PolarHBondContact O-N 3.45Å; L834-W838 VanDerWaalsContact O-N 3.07Å; W838-G841 PolarHBondContact O-N 2.8Å; W838-L842 PolarHBondContact O-N 2.91Å; W838-Y948 HydrophobicContact CZ2-CE1 4.17Å; W838-Y948 AromaticContact NE1-CZ 3.89Å; W838-Y948 PolarHBondContact NE1-OH 3.08Å
839L97Very high95.5Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-69.1-34.5178-68.6-179.4000112.4V788 L835 C836 G841 L842 E843 I844 C846 V863 V865V788-L839 HydrophobicContact CB-CD2 4.41Å; V788-L839 HydrophobicContact CG2-CD1 4.28Å; V788-L839 HydrophobicContact CG2-CD2 3.6Å; L835-L839 HydrophobicContact CD1-CD1 3.94Å; L835-L839 HydrophobicContact CD1-CG 3.99Å; L835-L839 HydrophobicContact CG-CD1 3.98Å; L835-L839 HydrophobicContact CG-CG 4.38Å; L835-L839 WeakPolarHBondContact O-CB 3.39Å; L835-L839 VanDerWaalsContact O-CG 3.27Å; L835-L839 WeakPolarHBondContact O-CG 3.1Å; L835-L839 PolarHBondContact O-N 2.63Å; C836-L839 PolarHBondContact O-N 2.8Å; L839-G841 VanDerWaalsContact C-N 3.35Å; L839-L842 PolarHBondContact O-N 2.83Å; L839-E843 PolarHBondContact O-N 3.02Å; L839-I844 HydrophobicContact CB-CB 4.31Å; L839-I844 HydrophobicContact CD2-CB 4.42Å; L839-I844 HydrophobicContact CD2-CD1 3.94Å; L839-I844 WeakPolarHBondContact O-CB 3.3Å; L839-I844 PolarHBondContact O-N 3.15Å; L839-C846 HydrophobicContact CB-CB 4.36Å; L839-C846 VanDerWaalsContact CB-SG 3.53Å; L839-C846 HydrophobicContact CD1-CB 4.4Å; L839-V863 HydrophobicContact CD1-CG1 4.24Å; L839-V865 HydrophobicContact CD1-CG1 4.49Å; L839-V865 HydrophobicContact CD1-CG2 3.63Å
840L95.7Very high95.7Very high21 Ų2114.1 Ų14.111%0.117%0.073CC..Hα-helixtrans-64.1-37.3170.5-72.8172.5000111.9L768 R770 C836 C837 E843 P899L768-L840 HydrophobicContact CB-CD1 4.41Å; R770-L840 HydrophobicContact CG-CB 4.07Å; C836-L840 WeakPolarHBondContact O-CB 3.5Å; C836-L840 WeakPolarHBondContact O-CG 3.47Å; C836-L840 PolarHBondContact O-N 3.19Å; C837-L840 PolarHBondContact O-N 2.86Å; L840-E843 PolarHBondContact O-N 2.87Å; L840-P899 HydrophobicContact CD1-CG 4.4Å
841G94.3Very high95.6Very high3 Ų314.3 Ų14.33%0.0318%0.075CC..Hα-helixtrans-66.9-31.617300000114.3I771 Q772 C837 W838 L839 E843I771-G841 WeakPolarHBondContact O-CA 3.4Å; Q772-G841 PolarHBondContact NE2-O 3.11Å; Q772-G841 PolarHBondContact OE1-O 2.79Å; C837-G841 PolarHBondContact O-N 3.14Å; W838-G841 PolarHBondContact O-N 2.8Å; L839-G841 VanDerWaalsContact C-N 3.35Å; G841-E843 VanDerWaalsContact C-N 3.27Å; G841-E843 PolarHBondContact O-N 3.41Å
842L95Very high95.4Very high1 Ų114.7 Ų14.71%0.0058%0.077CC..THydrogen-bonded Turntrans-824.9173.1-67.2-179.5000114.4P773 V777 K781 A787 W838 L839 I844P773-L842 HydrophobicContact CG-CD1 3.98Å; P773-L842 HydrophobicContact CG-CD2 3.79Å; P773-L842 HydrophobicContact CG-CG 3.76Å; V777-L842 HydrophobicContact CG1-CD1 4.05Å; K781-L842 HydrophobicContact CB-CD2 4.29Å; K781-L842 HydrophobicContact CD-CD2 4Å; K781-L842 HydrophobicContact CG-CD2 4.13Å; A787-L842 HydrophobicContact CB-CD1 4.19Å; W838-L842 PolarHBondContact O-N 2.91Å; L839-L842 PolarHBondContact O-N 2.83Å; L842-I844 VanDerWaalsContact C-N 3.27Å; L842-I844 HydrophobicContact CB-CD1 3.92Å; L842-I844 HydrophobicContact CB-CG1 3.87Å; L842-I844 HydrophobicContact CD1-CD1 4.18Å; L842-I844 PolarHBondContact O-N 3.15Å
843E94.9Very high95.1Very high137 Ų13714.7 Ų14.764%0.648%0.077SC*.THydrogen-bonded Turntrans56.542.2-176.1-55.1169.2165.500111.9K784 L839 L840 G841K784-E843 PolarHBondContact NZ-O 3.03Å; L839-E843 PolarHBondContact O-N 3.02Å; L840-E843 PolarHBondContact O-N 2.87Å; G841-E843 VanDerWaalsContact C-N 3.27Å; G841-E843 PolarHBondContact O-N 3.41Å
844I95.7Very high94.8Very high3 Ų315.5 Ų15.52%0.0158%0.084CC..  trans-104.9113.1175.6-57.8-175.6000107.7K784 V788 L839 L842 C846 V865 L867K784-I844 HydrophobicContact CB-CD1 4.07Å; K784-I844 HydrophobicContact CD-CD1 4.46Å; K784-I844 HydrophobicContact CD-CG1 4.04Å; K784-I844 HydrophobicContact CG-CD1 4.09Å; K784-I844 HydrophobicContact CG-CG1 4.22Å; V788-I844 HydrophobicContact CG2-CD1 4Å; V788-I844 HydrophobicContact CG2-CG2 4.05Å; L839-I844 HydrophobicContact CB-CB 4.31Å; L839-I844 HydrophobicContact CD2-CB 4.42Å; L839-I844 HydrophobicContact CD2-CD1 3.94Å; L839-I844 WeakPolarHBondContact O-CB 3.3Å; L839-I844 PolarHBondContact O-N 3.15Å; L842-I844 VanDerWaalsContact C-N 3.27Å; L842-I844 HydrophobicContact CB-CD1 3.92Å; L842-I844 HydrophobicContact CB-CG1 3.87Å; L842-I844 HydrophobicContact CD1-CD1 4.18Å; L842-I844 PolarHBondContact O-N 3.15Å; I844-C846 PolarHBondContact O-N 3.11Å; I844-C846 PolarHBondContact O-SG 3.12Å; I844-C846 VanDerWaalsContact O-SG 3.32Å; I844-V865 HydrophobicContact CG2-CG1 3.51Å; I844-L867 HydrophobicContact CG2-CD2 3.97Å
845P94.8Very high94.4Very high70 Ų7016.4 Ų16.446%0.4559%0.091SC..  trans-61.1112.5-177.2-24.935.2000111.8K866P845-K866 HydrophobicContact CB-CB 4.41Å; P845-K866 PolarHBondContact O-N 3.1Å
846C96.8Very high93.6Very high4 Ų418.3 Ų18.33%0.02710%0.101CC..EExtended strand (participates in β ladder)trans-143.4160.3-177.259.70000111.8L839 I844 V863 M864 V865L839-C846 HydrophobicContact CB-CB 4.36Å; L839-C846 VanDerWaalsContact CB-SG 3.53Å; L839-C846 HydrophobicContact CD1-CB 4.4Å; I844-C846 PolarHBondContact O-N 3.11Å; I844-C846 PolarHBondContact O-SG 3.12Å; I844-C846 VanDerWaalsContact O-SG 3.32Å; C846-V863 HydrophobicContact CB-CG1 3.95Å; C846-M864 CarbonylContact C-O 3.57Å; C846-M864 WeakPolarHBondContact CA-O 3.43Å; C846-M864 VanDerWaalsContact CB-O 3.23Å; C846-M864 WeakPolarHBondContact CB-O 3.45Å; C846-V865 HydrophobicContact CB-CG2 4.28Å
847F97.1Very high92.7Very high45 Ų4518.4 Ų18.420%0.19710%0.102CC..EExtended strand (participates in β ladder)trans-141.8137.6179.8-63.9-99.3000109.1M864 V897 W903 F919F847-M864 HydrophobicContact CB-CE 4.21Å; F847-M864 HydrophobicContact CD2-CE 3.54Å; F847-M864 HydrophobicContact CE2-CE 4.26Å; F847-M864 HydrophobicContact CG-CE 4.13Å; F847-M864 PolarHBondContact N-O 3.46Å; F847-M864 PolarHBondContact O-N 2.9Å; F847-V897 CarbonylContact C-O 3.52Å; F847-V897 WeakPolarHBondContact CA-O 3.33Å; F847-W903 HydrophobicContact CD1-CZ3 4.09Å; F847-W903 HydrophobicContact CE1-CH2 4.12Å; F847-W903 AromaticContact CE1-CZ3 3.8Å; F847-W903 HydrophobicContact CE1-CZ3 3.8Å; F847-F919 HydrophobicContact CD1-CD2 4.27Å; F847-F919 AromaticContact CD1-CE2 3.77Å; F847-F919 HydrophobicContact CD1-CE2 3.77Å; F847-F919 HydrophobicContact CD1-CZ 4.43Å; F847-F919 AromaticContact CD2-CE2 3.78Å; F847-F919 HydrophobicContact CD2-CE2 3.78Å; F847-F919 AromaticContact CE1-CD2 3.84Å; F847-F919 HydrophobicContact CE1-CD2 3.84Å; F847-F919 AromaticContact CE1-CE2 3.77Å; F847-F919 HydrophobicContact CE1-CE2 3.77Å; F847-F919 HydrophobicContact CE2-CD2 4.26Å; F847-F919 AromaticContact CE2-CE2 3.79Å; F847-F919 HydrophobicContact CE2-CE2 3.79Å; F847-F919 AromaticContact CG-CE2 3.79Å; F847-F919 HydrophobicContact CG-CE2 3.79Å; F847-F919 HydrophobicContact CG-CZ 4.33Å; F847-F919 AromaticContact CZ-CD2 3.84Å; F847-F919 HydrophobicContact CZ-CD2 3.84Å; F847-F919 AromaticContact CZ-CE2 3.78Å; F847-F919 HydrophobicContact CZ-CE2 3.78Å
848L97.3Very high91.8Very high0 Ų019.5 Ų19.50%011%0.109CC..EExtended strand (participates in β ladder)trans-73.9123.8170.6170.267.4000108.5L768 W814 A832 T833 L850 A861 Y862 A896 V897L768-L848 HydrophobicContact CD1-CB 4.16Å; L768-L848 HydrophobicContact CD2-CB 4.43Å; L768-L848 HydrophobicContact CD2-CD2 4.27Å; W814-L848 HydrophobicContact CH2-CD2 3.84Å; W814-L848 HydrophobicContact CZ3-CD2 4.09Å; A832-L848 HydrophobicContact CB-CD1 3.39Å; T833-L848 HydrophobicContact CG2-CD2 4Å; L848-L850 HydrophobicContact CD1-CD2 4.15Å; L848-L850 HydrophobicContact CD2-CD2 4.27Å; L848-L850 HydrophobicContact CG-CD2 4.05Å; L848-L850 HydrophobicContact CG-CG 4.4Å; L848-A861 HydrophobicContact CD1-CB 4.23Å; L848-Y862 CarbonylContact C-O 3.55Å; L848-A896 CarbonylContact O-C 3.54Å; L848-A896 WeakPolarHBondContact O-CA 3.4Å; L848-V897 HydrophobicContact CB-CB 4.1Å; L848-V897 HydrophobicContact CB-CG2 4.33Å; L848-V897 HydrophobicContact CD2-CB 4.43Å; L848-V897 HydrophobicContact CD2-CG2 4.21Å; L848-V897 HydrophobicContact CG-CB 4.5Å; L848-V897 HydrophobicContact CG-CG2 4.23Å; L848-V897 PolarHBondContact N-O 2.98Å; L848-V897 PolarHBondContact O-N 3.08Å
849L96.4Very high91.1Very high0 Ų022.4 Ų22.40%012%0.12CC..EExtended strand (participates in β ladder)trans-100.5130.5173.6-59.7-171.1000109.3A861 Y862 M864 V893 C895 A896 F917L849-A861 WeakPolarHBondContact O-CA 3.21Å; L849-Y862 PolarHBondContact N-O 3.36Å; L849-Y862 PolarHBondContact O-N 2.9Å; L849-M864 HydrophobicContact CD1-CB 3.94Å; L849-M864 HydrophobicContact CD2-CB 4.15Å; L849-M864 HydrophobicContact CG-CB 3.9Å; L849-V893 HydrophobicContact CB-CG1 4.18Å; L849-V893 HydrophobicContact CD1-CG1 4.31Å; L849-V893 HydrophobicContact CD1-CG2 4.2Å; L849-V893 HydrophobicContact CD2-CG1 4.13Å; L849-V893 HydrophobicContact CG-CG1 4.44Å; L849-C895 WeakPolarHBondContact CA-O 3.33Å; L849-A896 HydrophobicContact CD2-CB 3.75Å; L849-F917 HydrophobicContact CD1-CE1 4.1Å; L849-F917 HydrophobicContact CD1-CZ 4.45Å; L849-F917 HydrophobicContact CD2-CE1 4.32Å
850L94.4Very high90.7Very high4 Ų422.4 Ų22.42%0.02112%0.12CC..EExtended strand (participates in β ladder)trans-115.7136.9175-57.1178.1000109.5V751 V764 W814 L848 A860 A861 A894 C895 V897V751-L850 HydrophobicContact CB-CD1 4.17Å; V764-L850 HydrophobicContact CG1-CD1 4.21Å; W814-L850 HydrophobicContact CH2-CD1 4.13Å; W814-L850 HydrophobicContact CH2-CD2 4.1Å; W814-L850 HydrophobicContact CZ2-CD1 4.3Å; W814-L850 HydrophobicContact CZ2-CD2 4.07Å; L848-L850 HydrophobicContact CD1-CD2 4.15Å; L848-L850 HydrophobicContact CD2-CD2 4.27Å; L848-L850 HydrophobicContact CG-CD2 4.05Å; L848-L850 HydrophobicContact CG-CG 4.4Å; L850-A860 WeakPolarHBondContact CA-O 3.44Å; L850-A861 HydrophobicContact CD2-CB 3.77Å; L850-A894 PolarHBondContact O-N 2.88Å; L850-C895 HydrophobicContact CB-CB 4.37Å; L850-C895 PolarHBondContact N-O 3.39Å; L850-C895 PolarHBondContact O-N 2.93Å; L850-V897 HydrophobicContact CD1-CG2 4.06Å; L850-V897 HydrophobicContact CG-CG2 4.28Å
851G91Very high90.6Very high3 Ų321.4 Ų21.43%0.03112%0.115CC..EExtended strand (participates in β ladder)trans176.6-158.9-174.500000115.3P858 A860 D892G851-P858 CarbonylContact O-C 3.49Å; G851-P858 VanDerWaalsContact O-O 3.1Å; G851-A860 PolarHBondContact N-O 3.26Å; G851-A860 WeakPolarHBondContact O-CB 3.47Å; G851-A860 PolarHBondContact O-N 3.22Å; G851-D892 CarbonylContact C-O 3.6Å; G851-D892 WeakPolarHBondContact CA-O 3.15Å
852T89.3Confident90.7Very high9 Ų921.3 Ų21.36%0.05511%0.114CC..EExtended strand (participates in β ladder)trans-106128180-59.30000112.3Q668 P858 I890 W891 D892Q668-T852 HydrophobicContact CG-CG2 4.21Å; T852-P858 HydrophobicContact CG2-CB 4.39Å; T852-I890 WeakPolarHBondContact O-CA 3.35Å; T852-W891 HydrophobicContact CG2-CZ2 3.96Å; T852-W891 PolarHBondContact O-N 3.06Å; T852-D892 PolarHBondContact N-O 3.04Å; T852-D892 PolarHBondContact O-N 3.37Å
853D89.9Confident90.8Very high0 Ų021.2 Ų21.20%011%0.114CC..EExtended strand (participates in β ladder)trans-104.4136.3173.9176.7-43.8000110.3Q668 C855 N856 G857 A860 Y862 P889Q668-D853 PolarHBondContact NE2-O 3.39Å; D853-C855 VanDerWaalsContact C-N 3.34Å; D853-C855 PolarHBondContact O-N 3.34Å; D853-C855 WeakPolarHBondContact OD1-CA 3.34Å; D853-C855 WeakPolarHBondContact OD1-CB 3.5Å; D853-C855 PolarHBondContact OD1-N 3.22Å; D853-N856 HydrophobicContact CB-CB 4.02Å; D853-N856 PolarHBondContact OD1-N 2.87Å; D853-N856 PolarHBondContact OD2-ND2 2.81Å; D853-G857 PolarHBondContact N-O 3.34Å; D853-G857 PolarHBondContact O-N 3.15Å; D853-A860 HydrophobicContact CB-CB 3.38Å; D853-Y862 PolarHBondContact OD2-OH 2.94Å; D853-P889 CarbonylContact C-O 3.2Å; D853-P889 WeakPolarHBondContact CA-O 3.44Å
854A88.6Confident90.9Very high19 Ų1915 Ų1516%0.1578%0.084CC..THydrogen-bonded Turntrans-63.8-33.5-178.300000113.9S664 L671 F675 P889S664-A854 PolarHBondContact OG-O 3.41Å; L671-A854 WeakPolarHBondContact CD1-O 3.47Å; F675-A854 HydrophobicContact CE1-CB 3.9Å; A854-P889 PolarHBondContact N-O 2.95Å
855C86.7Confident91Very high19 Ų1914.8 Ų14.813%0.1288%0.084CC..THydrogen-bonded Turntrans-93.3-46.1179.2-670000112.5I660 S661 D853I660-C855 WeakPolarHBondContact CA-O 3.48Å; I660-C855 HydrophobicContact CG1-CB 4.41Å; S661-C855 PolarHBondContact N-O 3Å; S661-C855 PolarHBondContact OG-O 3.17Å; D853-C855 VanDerWaalsContact C-N 3.34Å; D853-C855 PolarHBondContact O-N 3.34Å; D853-C855 WeakPolarHBondContact OD1-CA 3.34Å; D853-C855 WeakPolarHBondContact OD1-CB 3.5Å; D853-C855 PolarHBondContact OD1-N 3.22Å
856N80.4Confident90.9Very high40 Ų4017.7 Ų17.721%0.2149%0.089CC..THydrogen-bonded Turntrans-87.6-38.3-167.5-70.9-65.8000113.7S661 K800 E828 D853S661-N856 WeakPolarHBondContact CB-O 3.4Å; S661-N856 VanDerWaalsContact OG-C 3.3Å; S661-N856 PolarHBondContact OG-O 2.94Å; K800-N856 PolarHBondContact NZ-OD1 2.84Å; E828-N856 WeakPolarHBondContact OE1-CB 3.29Å; E828-N856 WeakPolarHBondContact OE2-CB 3.27Å; D853-N856 HydrophobicContact CB-CB 4.02Å; D853-N856 PolarHBondContact OD1-N 2.87Å; D853-N856 PolarHBondContact OD2-ND2 2.81Å
857G78.8Confident90.6Very high3 Ų319.5 Ų19.53%0.03110%0.098CC..EExtended strand (participates in β ladder)trans133.5-171.9175.900000114.8D853 Y859D853-G857 PolarHBondContact N-O 3.34Å; D853-G857 PolarHBondContact O-N 3.15Å; G857-Y859 VanDerWaalsContact C-N 3.29Å; G857-Y859 PolarHBondContact O-N 3.45Å
858P77.2Confident90.3Very high22 Ų2223.1 Ų23.114%0.14313%0.129CC..EExtended strand (participates in β ladder)trans-79.90.9-172.131.3-34.9000115.7A667 N749 G851 T852A667-P858 HydrophobicContact CB-CB 4.38Å; A667-P858 HydrophobicContact CB-CG 3.73Å; N749-P858 PolarHBondContact ND2-O 3.44Å; G851-P858 CarbonylContact O-C 3.49Å; G851-P858 VanDerWaalsContact O-O 3.1Å; T852-P858 HydrophobicContact CG2-CB 4.39Å
859Y81.7Confident89.9Confident67 Ų6727 Ų2726%0.26315%0.147SC..EExtended strand (participates in β ladder)trans-119.134.8-176.6-61.1-80.5000112.1N749 V810 Q812 G857N749-Y859 WeakPolarHBondContact ND2-CD1 3.43Å; N749-Y859 WeakPolarHBondContact ND2-CE1 2.83Å; V810-Y859 HydrophobicContact CB-CD2 3.86Å; V810-Y859 HydrophobicContact CB-CE1 4.19Å; V810-Y859 HydrophobicContact CB-CE2 3.42Å; V810-Y859 VanDerWaalsContact CB-CE2 3.42Å; V810-Y859 HydrophobicContact CB-CG 4.44Å; V810-Y859 HydrophobicContact CG1-CD2 4.32Å; V810-Y859 HydrophobicContact CG1-CE2 4.35Å; V810-Y859 HydrophobicContact CG2-CD2 3.91Å; V810-Y859 HydrophobicContact CG2-CE2 3.38Å; V810-Y859 PolarHBondContact N-OH 3.45Å; Q812-Y859 HydrophobicContact CG-CD1 3.99Å; Q812-Y859 HydrophobicContact CG-CG 4.43Å; G857-Y859 VanDerWaalsContact C-N 3.29Å; G857-Y859 PolarHBondContact O-N 3.45Å
860A88.8Confident89.8Confident0 Ų029 Ų290%016%0.158CC..EExtended strand (participates in β ladder)trans-77.2146.3-174.100000112.2E828 L850 G851 D853 Y862E828-A860 WeakPolarHBondContact OE2-CA 3.49Å; L850-A860 WeakPolarHBondContact CA-O 3.44Å; G851-A860 PolarHBondContact N-O 3.26Å; G851-A860 WeakPolarHBondContact O-CB 3.47Å; G851-A860 PolarHBondContact O-N 3.22Å; D853-A860 HydrophobicContact CB-CB 3.38Å; A860-Y862 HydrophobicContact CB-CE2 4.39Å
861A93.1Very high89.8Confident1 Ų128.9 Ų28.91%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-132.1133-178.600000111.5E828 A829 A832 L848 L849 L850E828-A861 HydrophobicContact CB-CB 4.48Å; A829-A861 HydrophobicContact CB-CB 4.27Å; A832-A861 HydrophobicContact CB-CB 3.7Å; L848-A861 HydrophobicContact CD1-CB 4.23Å; L849-A861 WeakPolarHBondContact O-CA 3.21Å; L850-A861 HydrophobicContact CD2-CB 3.77Å
862Y96.4Very high90Very high0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans-139.1160.4-170.2-88-110.7000109.3L848 L849 D853 A860 I872 C873 N874 P889 I890L848-Y862 CarbonylContact C-O 3.55Å; L849-Y862 PolarHBondContact N-O 3.36Å; L849-Y862 PolarHBondContact O-N 2.9Å; D853-Y862 PolarHBondContact OD2-OH 2.94Å; A860-Y862 HydrophobicContact CB-CE2 4.39Å; Y862-I872 HydrophobicContact CD1-CG2 3.61Å; Y862-I872 HydrophobicContact CE1-CG2 4.2Å; Y862-I872 HydrophobicContact CG-CG2 4.49Å; Y862-C873 WeakPolarHBondContact CA-O 3.4Å; Y862-C873 VanDerWaalsContact CD1-O 3.29Å; Y862-C873 WeakPolarHBondContact CD1-O 3.15Å; Y862-N874 HydrophobicContact CD1-CB 4.02Å; Y862-N874 HydrophobicContact CE1-CB 3.53Å; Y862-N874 HydrophobicContact CE2-CB 4.49Å; Y862-N874 PolarHBondContact OH-ND2 2.94Å; Y862-P889 WeakPolarHBondContact OH-CB 3.38Å; Y862-P889 WeakPolarHBondContact OH-CD 3.37Å; Y862-I890 HydrophobicContact CD1-CG2 3.82Å; Y862-I890 HydrophobicContact CD2-CB 4.02Å; Y862-I890 HydrophobicContact CD2-CD1 3.85Å; Y862-I890 HydrophobicContact CD2-CG2 4.12Å; Y862-I890 HydrophobicContact CE1-CB 4.28Å; Y862-I890 HydrophobicContact CE1-CG2 3.65Å; Y862-I890 HydrophobicContact CE2-CB 3.76Å; Y862-I890 HydrophobicContact CE2-CD1 4.41Å; Y862-I890 HydrophobicContact CE2-CG2 4.04Å; Y862-I890 HydrophobicContact CG-CB 4.44Å; Y862-I890 HydrophobicContact CG-CD1 4.19Å; Y862-I890 HydrophobicContact CG-CG2 4.02Å
863V97.8Very high90.4Very high0 Ų028.4 Ų28.40%015%0.153CC..EExtended strand (participates in β ladder)trans-115.8116.2174-1740000110.1A832 L835 C836 L839 C846 V865 C873A832-V863 HydrophobicContact CB-CG2 4.14Å; A832-V863 VanDerWaalsContact O-CG2 3.29Å; A832-V863 WeakPolarHBondContact O-CG2 3.26Å; L835-V863 HydrophobicContact CB-CG2 4.11Å; L835-V863 HydrophobicContact CD2-CB 4.06Å; L835-V863 HydrophobicContact CD2-CG2 3.98Å; L835-V863 HydrophobicContact CG-CB 4.46Å; L835-V863 HydrophobicContact CG-CG2 4.13Å; C836-V863 HydrophobicContact CB-CG1 4.31Å; C836-V863 HydrophobicContact CB-CG2 4.16Å; L839-V863 HydrophobicContact CD1-CG1 4.24Å; C846-V863 HydrophobicContact CB-CG1 3.95Å; V863-V865 HydrophobicContact CG1-CG2 4.1Å; V863-C873 HydrophobicContact CB-CB 4.36Å; V863-C873 PolarHBondContact N-O 3.23Å; V863-C873 PolarHBondContact O-N 3.41Å
864M97.2Very high90.6Very high5 Ų528.5 Ų28.53%0.02515%0.153CC..EExtended strand (participates in β ladder)trans-78.7130.7167.9-172.5-175.26900109.1C846 F847 L849 I870 L871 F917 F919C846-M864 CarbonylContact C-O 3.57Å; C846-M864 WeakPolarHBondContact CA-O 3.43Å; C846-M864 VanDerWaalsContact CB-O 3.23Å; C846-M864 WeakPolarHBondContact CB-O 3.45Å; F847-M864 HydrophobicContact CB-CE 4.21Å; F847-M864 HydrophobicContact CD2-CE 3.54Å; F847-M864 HydrophobicContact CE2-CE 4.26Å; F847-M864 HydrophobicContact CG-CE 4.13Å; F847-M864 PolarHBondContact N-O 3.46Å; F847-M864 PolarHBondContact O-N 2.9Å; L849-M864 HydrophobicContact CD1-CB 3.94Å; L849-M864 HydrophobicContact CD2-CB 4.15Å; L849-M864 HydrophobicContact CG-CB 3.9Å; M864-I870 HydrophobicContact CG-CG2 3.59Å; M864-I870 HydrophobicContact SD-CG2 3.77Å; M864-L871 CarbonylContact C-O 3.52Å; M864-L871 WeakPolarHBondContact CA-O 3.14Å; M864-F917 HydrophobicContact CE-CB 4.45Å; M864-F917 HydrophobicContact CE-CD1 4.38Å; M864-F917 HydrophobicContact SD-CB 3.96Å; M864-F917 HydrophobicContact SD-CD1 3.45Å; M864-F917 WeakPolarHBondContact SD-CD1 3.3Å; M864-F917 HydrophobicContact SD-CD2 4.18Å; M864-F917 HydrophobicContact SD-CE1 3.91Å; M864-F917 HydrophobicContact SD-CG 3.6Å; M864-F917 VanDerWaalsContact SD-CG 3.6Å; M864-F917 HydrophobicContact SD-CZ 4.44Å; M864-F919 HydrophobicContact CE-CE2 3.69Å; M864-F919 HydrophobicContact CE-CZ 3.71Å
865V96.9Very high90.9Very high0 Ų027.6 Ų27.60%015%0.146CC..EExtended strand (participates in β ladder)trans-123.1128177.5-167.50000109.8V788 L839 I844 C846 V863 L867 L871V788-V865 HydrophobicContact CG1-CG1 4.45Å; V788-V865 HydrophobicContact CG1-CG2 4.12Å; V788-V865 HydrophobicContact CG2-CG1 3.89Å; L839-V865 HydrophobicContact CD1-CG1 4.49Å; L839-V865 HydrophobicContact CD1-CG2 3.63Å; I844-V865 HydrophobicContact CG2-CG1 3.51Å; C846-V865 HydrophobicContact CB-CG2 4.28Å; V863-V865 HydrophobicContact CG1-CG2 4.1Å; V865-L867 HydrophobicContact CG1-CD2 4.38Å; V865-L867 HydrophobicContact CG1-CG 4.2Å; V865-L871 HydrophobicContact CB-CB 4.41Å; V865-L871 PolarHBondContact N-O 3.35Å; V865-L871 PolarHBondContact O-N 3.47Å
866K93.5Very high91Very high130 Ų13027.4 Ų27.457%0.56515%0.145SC*.EExtended strand (participates in β ladder)trans-102.794.5-178.4-173.8-176.7178.3-175.30110.2P845P845-K866 HydrophobicContact CB-CB 4.41Å; P845-K866 PolarHBondContact O-N 3.1Å
867L91.3Very high91.4Very high43 Ų4328.7 Ų28.723%0.22515%0.154CC..SBendtrans-101.3-145.6168.3-58.5-179.2000108.7K784 R785 I844 V865 Q869 L871K784-L867 HydrophobicContact CB-CD2 4.02Å; R785-L867 HydrophobicContact CB-CD1 3.98Å; R785-L867 HydrophobicContact CG-CD1 4.33Å; I844-L867 HydrophobicContact CG2-CD2 3.97Å; V865-L867 HydrophobicContact CG1-CD2 4.38Å; V865-L867 HydrophobicContact CG1-CG 4.2Å; L867-Q869 CarbonylContact C-O 3.51Å; L867-Q869 PolarHBondContact N-O 3.09Å; L867-Q869 PolarHBondContact O-N 3.42Å; L867-L871 HydrophobicContact CD1-CD1 4.04Å
868S89.4Confident92Very high120 Ų12029.8 Ų29.884%0.83917%0.166SC*.SBendtrans-60.3-23.7166.851.60000113.2
869Q90.1Very high92.6Very high82 Ų8232.5 Ų32.538%0.38318%0.175SC..SBendtrans-126.7161.3169.6-63.8169-56.500109.1L867 E882L867-Q869 CarbonylContact C-O 3.51Å; L867-Q869 PolarHBondContact N-O 3.09Å; L867-Q869 PolarHBondContact O-N 3.42Å; Q869-E882 PolarHBondContact NE2-OE2 2.77Å; Q869-E882 VanDerWaalsContact NE2-OE2 3.16Å; Q869-E882 PolarHBondContact OE1-OE1 2.8Å
870I93.6Very high93.2Very high43 Ų4331.1 Ų31.122%0.22117%0.174CC..EExtended strand (participates in β ladder)trans-84.3117.3168.4-64.4175000108.5M864 R883 F917M864-I870 HydrophobicContact CG-CG2 3.59Å; M864-I870 HydrophobicContact SD-CG2 3.77Å; I870-R883 HydrophobicContact CB-CB 4.14Å; I870-R883 HydrophobicContact CG2-CB 4.25Å; I870-R883 PolarHBondContact O-N 2.85Å; I870-R883 VanDerWaalsContact O-N 3.1Å; I870-F917 HydrophobicContact CD1-CB 4.3Å; I870-F917 HydrophobicContact CD1-CD2 4.3Å
871L94.8Very high93.3Very high1 Ų131.6 Ų31.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-101.1150.9172-57.2-179.5000109.9M864 V865 L867 V880 Y881 E882M864-L871 CarbonylContact C-O 3.52Å; M864-L871 WeakPolarHBondContact CA-O 3.14Å; V865-L871 HydrophobicContact CB-CB 4.41Å; V865-L871 PolarHBondContact N-O 3.35Å; V865-L871 PolarHBondContact O-N 3.47Å; L867-L871 HydrophobicContact CD1-CD1 4.04Å; L871-V880 HydrophobicContact CB-CG1 3.9Å; L871-V880 HydrophobicContact CD1-CG1 4.16Å; L871-V880 HydrophobicContact CD2-CG1 4.41Å; L871-V880 HydrophobicContact CG-CG1 4.38Å; L871-Y881 CarbonylContact C-O 3.08Å; L871-Y881 WeakPolarHBondContact CA-O 3.39Å; L871-E882 HydrophobicContact CD2-CG 3.96Å
872I95.7Very high93.2Very high1 Ų135.2 Ų35.21%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-129.8103-179.7-62.2176.4000107Y862 Y881 I890 P912Y862-I872 HydrophobicContact CD1-CG2 3.61Å; Y862-I872 HydrophobicContact CE1-CG2 4.2Å; Y862-I872 HydrophobicContact CG-CG2 4.49Å; I872-Y881 PolarHBondContact N-O 3.49Å; I872-Y881 PolarHBondContact O-N 2.91Å; I872-I890 HydrophobicContact CG2-CG2 4.31Å; I872-P912 HydrophobicContact CD1-CB 3.37Å; I872-P912 HydrophobicContact CD1-CG 3.86Å
873C96Very high92.8Very high0 Ų039.2 Ų39.20%021%0.207CC..EExtended strand (participates in β ladder)trans-89.9130.9-176.6-580000110.5L835 Y862 V863 P875 V880L835-C873 HydrophobicContact CD2-CB 3.78Å; Y862-C873 WeakPolarHBondContact CA-O 3.4Å; Y862-C873 VanDerWaalsContact CD1-O 3.29Å; Y862-C873 WeakPolarHBondContact CD1-O 3.15Å; V863-C873 HydrophobicContact CB-CB 4.36Å; V863-C873 PolarHBondContact N-O 3.23Å; V863-C873 PolarHBondContact O-N 3.41Å; C873-P875 VanDerWaalsContact O-CD 3.28Å; C873-P875 WeakPolarHBondContact O-CD 3.37Å; C873-V880 HydrophobicContact CB-CG2 4.21Å
874N94.4Very high92.3Very high2 Ų244.3 Ų44.31%0.01124%0.235CC..EExtended strand (participates in β ladder)trans-98.996.9160.7-175.3-43.7000108.3Y862 S876 T877 G878 K879 Y881Y862-N874 HydrophobicContact CD1-CB 4.02Å; Y862-N874 HydrophobicContact CE1-CB 3.53Å; Y862-N874 HydrophobicContact CE2-CB 4.49Å; Y862-N874 PolarHBondContact OH-ND2 2.94Å; N874-S876 PolarHBondContact O-N 3.12Å; N874-S876 WeakPolarHBondContact OD1-CA 3.46Å; N874-S876 PolarHBondContact OD1-N 3.32Å; N874-S876 PolarHBondContact OD1-OG 2.77Å; N874-T877 WeakPolarHBondContact CB-OG1 3.24Å; N874-T877 PolarHBondContact O-N 3.35Å; N874-T877 PolarHBondContact O-OG1 3.36Å; N874-T877 PolarHBondContact OD1-N 2.83Å; N874-T877 PolarHBondContact OD1-OG1 3.38Å; N874-T877 VanDerWaalsContact OD1-OG1 3.14Å; N874-G878 PolarHBondContact O-N 3.44Å; N874-K879 PolarHBondContact N-O 3.35Å; N874-K879 PolarHBondContact O-N 2.83Å; N874-Y881 HydrophobicContact CB-CE2 4.39Å
875P94.3Very high91.8Very high0 Ų044.7 Ų44.70%024%0.237CC..THydrogen-bonded Turntrans-71.5-14.4-177.727.4-31.2000113.8V795 S796 H831 A832 L835 C873 T877V795-P875 HydrophobicContact CB-CB 4.36Å; V795-P875 HydrophobicContact CG1-CB 3.82Å; S796-P875 WeakPolarHBondContact CA-O 3.35Å; S796-P875 WeakPolarHBondContact CB-O 3.1Å; S796-P875 PolarHBondContact N-O 2.76Å; H831-P875 HydrophobicContact CB-CB 3.95Å; H831-P875 HydrophobicContact CB-CG 3.88Å; H831-P875 PolarHBondContact CD2-O 3.15Å; H831-P875 WeakPolarHBondContact O-CG 2.98Å; A832-P875 HydrophobicContact CB-CG 3.96Å; L835-P875 HydrophobicContact CB-CB 4.07Å; L835-P875 HydrophobicContact CB-CG 4.43Å; L835-P875 HydrophobicContact CD2-CB 3.82Å; L835-P875 HydrophobicContact CD2-CG 4.24Å; C873-P875 VanDerWaalsContact O-CD 3.28Å; C873-P875 WeakPolarHBondContact O-CD 3.37Å; P875-T877 VanDerWaalsContact C-N 3.25Å; P875-T877 PolarHBondContact O-N 3.49Å
876S90.4Very high91.2Very high15 Ų1548.1 Ų48.111%0.10526%0.259CS..THydrogen-bonded Turntrans-80.4-1.6172.473.60000114.3N874N874-S876 PolarHBondContact O-N 3.12Å; N874-S876 WeakPolarHBondContact OD1-CA 3.46Å; N874-S876 PolarHBondContact OD1-N 3.32Å; N874-S876 PolarHBondContact OD1-OG 2.77Å
877T88.8Confident91Very high67 Ų6742.3 Ų42.341%0.41123%0.234SC..THydrogen-bonded Turntrans-139-3.7179.557.80000114.1N874 P875 K879N874-T877 WeakPolarHBondContact CB-OG1 3.24Å; N874-T877 PolarHBondContact O-N 3.35Å; N874-T877 PolarHBondContact O-OG1 3.36Å; N874-T877 PolarHBondContact OD1-N 2.83Å; N874-T877 PolarHBondContact OD1-OG1 3.38Å; N874-T877 VanDerWaalsContact OD1-OG1 3.14Å; P875-T877 VanDerWaalsContact C-N 3.25Å; P875-T877 PolarHBondContact O-N 3.49Å; T877-K879 PolarHBondContact O-N 3.24Å; T877-K879 VanDerWaalsContact O-N 3.16Å
878G90.6Very high90.9Very high26 Ų2640.6 Ų40.627%0.26823%0.226SC..THydrogen-bonded Turntrans68.86.6-176.500000114.1S796 N874S796-G878 WeakPolarHBondContact OG-CA 3.31Å; S796-G878 PolarHBondContact OG-N 2.91Å; N874-G878 PolarHBondContact O-N 3.44Å
879K90.6Very high91Very high79 Ų7936.1 Ų36.134%0.34319%0.194SC..EExtended strand (participates in β ladder)trans-82.6133.9-177.6-66.4-78-178.3167.50110.2E676 N874 T877 Y881E676-K879 IonicContact OE1-NZ 2.81Å; E676-K879 PolarHBondContact OE1-NZ 3.27Å; N874-K879 PolarHBondContact N-O 3.35Å; N874-K879 PolarHBondContact O-N 2.83Å; T877-K879 PolarHBondContact O-N 3.24Å; T877-K879 VanDerWaalsContact O-N 3.16Å; K879-Y881 HydrophobicContact CB-CD2 4.37Å; K879-Y881 HydrophobicContact CB-CE2 3.47Å; K879-Y881 VanDerWaalsContact CB-CE2 3.47Å
880V92.8Very high91Very high39 Ų3932.2 Ų32.224%0.23618%0.175CC..EExtended strand (participates in β ladder)trans-122.6120.6174.6-177.70000109L789 C792 L871 C873L789-V880 HydrophobicContact CD2-CB 3.98Å; L789-V880 HydrophobicContact CD2-CG1 4.36Å; L789-V880 HydrophobicContact CD2-CG2 3.89Å; C792-V880 HydrophobicContact CB-CG2 4.08Å; L871-V880 HydrophobicContact CB-CG1 3.9Å; L871-V880 HydrophobicContact CD1-CG1 4.16Å; L871-V880 HydrophobicContact CD2-CG1 4.41Å; L871-V880 HydrophobicContact CG-CG1 4.38Å; C873-V880 HydrophobicContact CB-CG2 4.21Å
881Y92Very high90.8Very high10 Ų1035.5 Ų35.54%0.03919%0.185CC..EExtended strand (participates in β ladder)trans-104147.2-177.1-58.4-91.2000109.5L871 I872 N874 K879 D885 L887 C888 P889L871-Y881 CarbonylContact C-O 3.08Å; L871-Y881 WeakPolarHBondContact CA-O 3.39Å; I872-Y881 PolarHBondContact N-O 3.49Å; I872-Y881 PolarHBondContact O-N 2.91Å; N874-Y881 HydrophobicContact CB-CE2 4.39Å; K879-Y881 HydrophobicContact CB-CD2 4.37Å; K879-Y881 HydrophobicContact CB-CE2 3.47Å; K879-Y881 VanDerWaalsContact CB-CE2 3.47Å; Y881-D885 HydrophobicContact CD1-CB 4.5Å; Y881-D885 WeakPolarHBondContact CD1-OD2 3.5Å; Y881-L887 VanDerWaalsContact CE1-O 3.31Å; Y881-L887 WeakPolarHBondContact CE1-O 3.49Å; Y881-C888 HydrophobicContact CD1-CB 3.94Å; Y881-C888 HydrophobicContact CG-CB 3.97Å; Y881-P889 VanDerWaalsContact CZ-CD 3.45Å
882E90.9Very high90.7Very high76 Ų7636.1 Ų36.136%0.35519%0.189SC..EExtended strand (participates in β ladder)trans-85.4151.2167.3-58.1-164.3170.300109.2R785 Q869 L871 N884 D885R785-E882 IonicContact CZ-OE1 2.67Å; R785-E882 IonicContact NH1-OE1 2.72Å; R785-E882 IonicContact NH2-OE1 3.29Å; R785-E882 PolarHBondContact NH2-OE1 2.78Å; R785-E882 VanDerWaalsContact NH2-OE1 3.09Å; Q869-E882 PolarHBondContact NE2-OE2 2.77Å; Q869-E882 VanDerWaalsContact NE2-OE2 3.16Å; Q869-E882 PolarHBondContact OE1-OE1 2.8Å; L871-E882 HydrophobicContact CD2-CG 3.96Å; E882-N884 PolarHBondContact O-N 2.88Å; E882-D885 WeakPolarHBondContact O-CB 3.34Å; E882-D885 PolarHBondContact O-N 2.8Å
883R87.5Confident90.6Very high84 Ų8436.1 Ų36.132%0.31719%0.188SC..THydrogen-bonded Turntrans-48-31.3-176.8173.5176.5169.9-120.1-0.6115.2I870 T913 L915 F917I870-R883 HydrophobicContact CB-CB 4.14Å; I870-R883 HydrophobicContact CG2-CB 4.25Å; I870-R883 PolarHBondContact O-N 2.85Å; I870-R883 VanDerWaalsContact O-N 3.1Å; R883-T913 VanDerWaalsContact O-CA 3.27Å; R883-T913 WeakPolarHBondContact O-CA 3.35Å; R883-T913 PolarHBondContact O-N 3.34Å; R883-T913 PolarHBondContact O-OG1 2.72Å; R883-L915 PolarHBondContact NE-O 2.8Å; R883-L915 PolarHBondContact NH2-O 2.72Å; R883-F917 HydrophobicContact CG-CE2 4.29Å
884N87.4Confident90.5Very high108 Ų10836.1 Ų36.158%0.57819%0.188SC*.THydrogen-bonded Turntrans-94.810.5-176.5-62.7-3.7000113.6E882 P886 T913E882-N884 PolarHBondContact O-N 2.88Å; N884-P886 WeakPolarHBondContact O-CD 3.35Å; N884-T913 HydrophobicContact CB-CG2 4.33Å
885D87.3Confident90.6Very high12 Ų1236 Ų366%0.06419%0.188CC..  trans-81.6112.5-179.9-168.5-14.9000111.5R700 Y881 E882 L887 C888R700-D885 IonicContact CZ-OD1 2.67Å; R700-D885 IonicContact CZ-OD2 3.84Å; R700-D885 IonicContact NH1-OD2 3.25Å; R700-D885 PolarHBondContact NH1-OD2 3.14Å; R700-D885 VanDerWaalsContact NH1-OD2 3.15Å; R700-D885 IonicContact NH2-OD1 2.66Å; R700-D885 PolarHBondContact NH2-OD1 3.35Å; R700-D885 IonicContact NH2-OD2 3.53Å; R700-D885 PolarHBondContact NH2-OD2 2.91Å; Y881-D885 HydrophobicContact CD1-CB 4.5Å; Y881-D885 WeakPolarHBondContact CD1-OD2 3.5Å; E882-D885 WeakPolarHBondContact O-CB 3.34Å; E882-D885 PolarHBondContact O-N 2.8Å; D885-L887 PolarHBondContact O-N 3.37Å; D885-L887 WeakPolarHBondContact OD1-CB 3.44Å; D885-L887 PolarHBondContact OD1-N 3.07Å; D885-C888 VanDerWaalsContact O-CB 3.25Å; D885-C888 WeakPolarHBondContact O-CB 3.31Å; D885-C888 PolarHBondContact O-N 3.01Å
886P84.9Confident90.7Very high72 Ų7236 Ų3647%0.46819%0.188SC..THydrogen-bonded Turntrans-822.4178.238.5-35.4000113F698 N884F698-P886 VanDerWaalsContact CE2-CD 3.43Å; F698-P886 HydrophobicContact CE2-CG 3.61Å; F698-P886 HydrophobicContact CZ-CG 3.99Å; N884-P886 WeakPolarHBondContact O-CD 3.35Å
887L87.9Confident91Very high8 Ų835.3 Ų35.34%0.04218%0.183CC..THydrogen-bonded Turntrans-94.85.8166.4-61179.3000112F698 Y702 Y881 D885 P889F698-L887 HydrophobicContact CB-CD1 4.25Å; F698-L887 HydrophobicContact CD2-CD1 3.82Å; F698-L887 HydrophobicContact CD2-CG 4.16Å; F698-L887 HydrophobicContact CE2-CG 4.49Å; F698-L887 HydrophobicContact CG-CD1 4.05Å; Y702-L887 HydrophobicContact CD1-CD1 4.2Å; Y702-L887 HydrophobicContact CD2-CD2 3.99Å; Y702-L887 HydrophobicContact CG-CD1 4.23Å; Y702-L887 HydrophobicContact CG-CD2 3.94Å; Y881-L887 VanDerWaalsContact CE1-O 3.31Å; Y881-L887 WeakPolarHBondContact CE1-O 3.49Å; D885-L887 PolarHBondContact O-N 3.37Å; D885-L887 WeakPolarHBondContact OD1-CB 3.44Å; D885-L887 PolarHBondContact OD1-N 3.07Å; L887-P889 VanDerWaalsContact O-CD 3.29Å; L887-P889 WeakPolarHBondContact O-CD 3.32Å
888C90.1Very high91.2Very high8 Ų832.1 Ų32.15%0.05416%0.164CC..  trans-67.7119172.6-162.40000110.3Y881 D885 I890Y881-C888 HydrophobicContact CD1-CB 3.94Å; Y881-C888 HydrophobicContact CG-CB 3.97Å; D885-C888 VanDerWaalsContact O-CB 3.25Å; D885-C888 WeakPolarHBondContact O-CB 3.31Å; D885-C888 PolarHBondContact O-N 3.01Å; C888-I890 VanDerWaalsContact C-N 3.33Å; C888-I890 PolarHBondContact O-N 3.48Å
889P90.5Very high91.3Very high25 Ų2533.1 Ų33.116%0.16217%0.166CC..SBendtrans-69.8-21.8-171.4-22.633000115.7D853 A854 Y862 Y881 L887 W891D853-P889 CarbonylContact C-O 3.2Å; D853-P889 WeakPolarHBondContact CA-O 3.44Å; A854-P889 PolarHBondContact N-O 2.95Å; Y862-P889 WeakPolarHBondContact OH-CB 3.38Å; Y862-P889 WeakPolarHBondContact OH-CD 3.37Å; Y881-P889 VanDerWaalsContact CZ-CD 3.45Å; L887-P889 VanDerWaalsContact O-CD 3.29Å; L887-P889 WeakPolarHBondContact O-CD 3.32Å; P889-W891 PolarHBondContact O-N 3.48Å
890I91.6Very high91.2Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-79.6111.7177-176.7167.1000110.6T852 Y862 I872 C888 V893 P912T852-I890 WeakPolarHBondContact O-CA 3.35Å; Y862-I890 HydrophobicContact CD1-CG2 3.82Å; Y862-I890 HydrophobicContact CD2-CB 4.02Å; Y862-I890 HydrophobicContact CD2-CD1 3.85Å; Y862-I890 HydrophobicContact CD2-CG2 4.12Å; Y862-I890 HydrophobicContact CE1-CB 4.28Å; Y862-I890 HydrophobicContact CE1-CG2 3.65Å; Y862-I890 HydrophobicContact CE2-CB 3.76Å; Y862-I890 HydrophobicContact CE2-CD1 4.41Å; Y862-I890 HydrophobicContact CE2-CG2 4.04Å; Y862-I890 HydrophobicContact CG-CB 4.44Å; Y862-I890 HydrophobicContact CG-CD1 4.19Å; Y862-I890 HydrophobicContact CG-CG2 4.02Å; I872-I890 HydrophobicContact CG2-CG2 4.31Å; C888-I890 VanDerWaalsContact C-N 3.33Å; C888-I890 PolarHBondContact O-N 3.48Å; I890-V893 HydrophobicContact CD1-CG2 3.96Å; I890-V893 HydrophobicContact CG1-CG2 4.11Å; I890-P912 HydrophobicContact CG2-CG 4.28Å; I890-P912 WeakPolarHBondContact O-CD 3.35Å
891W89.1Confident91.2Very high113 Ų11333 Ų3343%0.42817%0.167SC..EExtended strand (participates in β ladder)trans-111.5-18.6-171.473-96.6000114.5T852 P889 G910 H911T852-W891 HydrophobicContact CG2-CZ2 3.96Å; T852-W891 PolarHBondContact O-N 3.06Å; P889-W891 PolarHBondContact O-N 3.48Å; W891-G910 CarbonylContact O-C 3.59Å; W891-H911 WeakPolarHBondContact O-CA 3.27Å; W891-H911 PolarHBondContact O-N 2.75Å
892D91.2Very high91.3Very high14 Ų1432.5 Ų32.58%0.07517%0.165CC..EExtended strand (participates in β ladder)trans-129.596.3168.1-171.358000110.9R748 G851 T852 A894 G910R748-D892 WeakPolarHBondContact CG-OD2 3.5Å; R748-D892 IonicContact CZ-OD1 2.91Å; R748-D892 VanDerWaalsContact CZ-OD1 3.27Å; R748-D892 IonicContact NE-OD1 3.14Å; R748-D892 PolarHBondContact NE-OD1 3.05Å; R748-D892 IonicContact NE-OD2 2.74Å; R748-D892 PolarHBondContact NE-OD2 2.79Å; R748-D892 IonicContact NH2-OD1 3.01Å; R748-D892 PolarHBondContact NH2-OD1 2.72Å; G851-D892 CarbonylContact C-O 3.6Å; G851-D892 WeakPolarHBondContact CA-O 3.15Å; T852-D892 PolarHBondContact N-O 3.04Å; T852-D892 PolarHBondContact O-N 3.37Å; D892-A894 PolarHBondContact O-N 2.89Å; D892-G910 VanDerWaalsContact OD1-CA 3.31Å; D892-G910 WeakPolarHBondContact OD1-CA 3.42Å
893V94.5Very high91.6Very high0 Ų030.8 Ų30.80%016%0.155CC..EExtended strand (participates in β ladder)trans-73.9116.9168.5-177.90000108.7L849 I890 N905 G910 P912 L915 W925L849-V893 HydrophobicContact CB-CG1 4.18Å; L849-V893 HydrophobicContact CD1-CG1 4.31Å; L849-V893 HydrophobicContact CD1-CG2 4.2Å; L849-V893 HydrophobicContact CD2-CG1 4.13Å; L849-V893 HydrophobicContact CG-CG1 4.44Å; I890-V893 HydrophobicContact CD1-CG2 3.96Å; I890-V893 HydrophobicContact CG1-CG2 4.11Å; V893-N905 WeakPolarHBondContact O-CB 3.29Å; V893-N905 PolarHBondContact O-ND2 3.09Å; V893-G910 PolarHBondContact N-O 3.41Å; V893-P912 HydrophobicContact CG2-CG 4.19Å; V893-L915 HydrophobicContact CB-CD1 3.8Å; V893-L915 HydrophobicContact CG2-CD1 4.02Å; V893-W925 HydrophobicContact CG1-CH2 4.19Å
894A93.9Very high92Very high0 Ų026.8 Ų26.80%014%0.14CC..EExtended strand (participates in β ladder)trans-92.2-46.8-178.200000112.5R748 N749 Y750 L850 D892 N905R748-A894 HydrophobicContact CG-CB 3.54Å; N749-A894 VanDerWaalsContact O-CB 3.24Å; N749-A894 WeakPolarHBondContact O-CB 3.48Å; Y750-A894 HydrophobicContact CD1-CB 4.36Å; Y750-A894 WeakPolarHBondContact CD1-O 3.44Å; Y750-A894 WeakPolarHBondContact CE1-O 3.23Å; L850-A894 PolarHBondContact O-N 2.88Å; D892-A894 PolarHBondContact O-N 2.89Å; A894-N905 WeakPolarHBondContact O-CB 3.14Å; A894-N905 PolarHBondContact O-N 3.35Å
895C95.3Very high92.4Very high0 Ų021.6 Ų21.60%011%0.113CC..EExtended strand (participates in β ladder)trans-130.9150179.1-63.70000111.4V751 L849 L850 I902 W903V751-C895 PolarHBondContact O-SG 3.09Å; V751-C895 VanDerWaalsContact O-SG 3.33Å; L849-C895 WeakPolarHBondContact CA-O 3.33Å; L850-C895 HydrophobicContact CB-CB 4.37Å; L850-C895 PolarHBondContact N-O 3.39Å; L850-C895 PolarHBondContact O-N 2.93Å; C895-I902 HydrophobicContact CB-CD1 4Å; C895-I902 HydrophobicContact CB-CG1 4.08Å; C895-W903 CarbonylContact C-O 3.56Å; C895-W903 VanDerWaalsContact CA-O 3.3Å; C895-W903 WeakPolarHBondContact CA-O 3.3Å
896A96.8Very high92.7Very high0 Ų022.2 Ų22.20%012%0.116CC..EExtended strand (participates in β ladder)trans-115.3136.8160.800000108.8L848 L849 W903 F919 W925L848-A896 CarbonylContact O-C 3.54Å; L848-A896 WeakPolarHBondContact O-CA 3.4Å; L849-A896 HydrophobicContact CD2-CB 3.75Å; A896-W903 PolarHBondContact N-O 3.36Å; A896-W903 PolarHBondContact O-N 3.14Å; A896-F919 HydrophobicContact CB-CD1 4.35Å; A896-F919 HydrophobicContact CB-CE1 3.45Å; A896-F919 VanDerWaalsContact CB-CE1 3.45Å; A896-F919 HydrophobicContact CB-CZ 3.63Å; A896-W925 HydrophobicContact CB-CE3 4.4Å; A896-W925 HydrophobicContact CB-CH2 4.18Å; A896-W925 HydrophobicContact CB-CZ3 3.83Å
897V96.5Very high93.1Very high0 Ų019.9 Ų19.90%010%0.098CC..EExtended strand (participates in β ladder)trans-123.8132.1-175-157.90000109.3V764 P765 L768 F847 L848 L850 I902V764-V897 HydrophobicContact CG1-CG1 3.92Å; V764-V897 HydrophobicContact CG1-CG2 3.97Å; P765-V897 HydrophobicContact CB-CG1 4.3Å; P765-V897 HydrophobicContact CG-CG1 3.76Å; L768-V897 HydrophobicContact CD1-CB 3.98Å; L768-V897 HydrophobicContact CD1-CG1 3.78Å; F847-V897 CarbonylContact C-O 3.52Å; F847-V897 WeakPolarHBondContact CA-O 3.33Å; L848-V897 HydrophobicContact CB-CB 4.1Å; L848-V897 HydrophobicContact CB-CG2 4.33Å; L848-V897 HydrophobicContact CD2-CB 4.43Å; L848-V897 HydrophobicContact CD2-CG2 4.21Å; L848-V897 HydrophobicContact CG-CB 4.5Å; L848-V897 HydrophobicContact CG-CG2 4.23Å; L848-V897 PolarHBondContact N-O 2.98Å; L848-V897 PolarHBondContact O-N 3.08Å; L850-V897 HydrophobicContact CD1-CG2 4.06Å; L850-V897 HydrophobicContact CG-CG2 4.28Å; V897-I902 HydrophobicContact CB-CG1 4.49Å; V897-I902 HydrophobicContact CG1-CB 4.23Å; V897-I902 HydrophobicContact CG1-CD1 4.43Å; V897-I902 HydrophobicContact CG1-CG1 4.38Å; V897-I902 HydrophobicContact CG2-CD1 3.82Å; V897-I902 HydrophobicContact CG2-CG1 4.01Å
898G94.3Very high93.2Very high1 Ų129.7 Ų29.71%0.0114%0.141CC..  trans-117.3175.7161.900000110D900 N901G898-D900 PolarHBondContact O-N 2.82Å; G898-N901 PolarHBondContact N-O 2.77Å; G898-N901 VanDerWaalsContact O-O 3.12Å
899P91.6Very high93.1Very high47 Ų4731.3 Ų31.331%0.30515%0.152SC..SBendtrans-60.6-32.7177.525-33000112.5L768 L840L768-P899 HydrophobicContact CB-CB 4.36Å; L840-P899 HydrophobicContact CD1-CG 4.4Å
900D89.4Confident93Very high97 Ų9730.3 Ų30.352%0.51915%0.146SC..SBendtrans-85.9-31.3-174.2-46.9-75.6000114G898 W929 Q935G898-D900 PolarHBondContact O-N 2.82Å; D900-W929 PolarHBondContact O-NE1 3.41Å; D900-W929 VanDerWaalsContact O-NE1 3.15Å; D900-Q935 PolarHBondContact O-NE2 3.48Å
901N92.6Very high92.9Very high17 Ų1732.6 Ų32.69%0.09116%0.157CC..  trans-159.8164.2-169-154-13.7000112.3G898 W903 F928 W929G898-N901 PolarHBondContact N-O 2.77Å; G898-N901 VanDerWaalsContact O-O 3.12Å; N901-W903 HydrophobicContact CB-CH2 3.83Å; N901-W903 HydrophobicContact CB-CZ2 3.95Å; N901-W903 HydrophobicContact CB-CZ3 4.13Å; N901-W903 VanDerWaalsContact O-CZ3 3.29Å; N901-W903 WeakPolarHBondContact O-CZ3 3.39Å; N901-F928 PolarHBondContact OD1-N 2.86Å; N901-W929 VanDerWaalsContact CG-CD1 3.48Å; N901-W929 PolarHBondContact ND2-O 3.04Å; N901-W929 PolarHBondContact OD1-N 2.88Å
902I94.6Very high93Very high0 Ų027.2 Ų27.20%014%0.137CC..EExtended strand (participates in β ladder)trans-121.7136.4170.5-174.4167.6000110.1W737 V751 F763 V764 P765 C895 V897 P927 F928W737-I902 HydrophobicContact CH2-CG2 4.26Å; V751-I902 WeakPolarHBondContact O-CD1 3.19Å; F763-I902 HydrophobicContact CE2-CG2 4Å; F763-I902 HydrophobicContact CZ-CG2 3.91Å; V764-I902 HydrophobicContact CB-CD1 4.48Å; V764-I902 HydrophobicContact CG1-CD1 4.42Å; P765-I902 HydrophobicContact CG-CB 4.08Å; P765-I902 HydrophobicContact CG-CG2 4.33Å; C895-I902 HydrophobicContact CB-CD1 4Å; C895-I902 HydrophobicContact CB-CG1 4.08Å; V897-I902 HydrophobicContact CB-CG1 4.49Å; V897-I902 HydrophobicContact CG1-CB 4.23Å; V897-I902 HydrophobicContact CG1-CD1 4.43Å; V897-I902 HydrophobicContact CG1-CG1 4.38Å; V897-I902 HydrophobicContact CG2-CD1 3.82Å; V897-I902 HydrophobicContact CG2-CG1 4.01Å; I902-P927 CarbonylContact O-C 3.45Å; I902-P927 WeakPolarHBondContact O-CA 3.46Å; I902-F928 HydrophobicContact CG2-CB 3.49Å; I902-F928 VanDerWaalsContact CG2-CB 3.49Å; I902-F928 HydrophobicContact CG2-CD2 4.15Å; I902-F928 HydrophobicContact CG2-CG 4.03Å; I902-F928 PolarHBondContact O-N 3.4Å
903W96.1Very high92.8Very high40 Ų4029 Ų2915%0.15215%0.148CC..EExtended strand (participates in β ladder)trans-117.6121-176.5-67-93.4000110.6F847 C895 A896 N901 F919 W925 V926F847-W903 HydrophobicContact CD1-CZ3 4.09Å; F847-W903 HydrophobicContact CE1-CH2 4.12Å; F847-W903 AromaticContact CE1-CZ3 3.8Å; F847-W903 HydrophobicContact CE1-CZ3 3.8Å; C895-W903 CarbonylContact C-O 3.56Å; C895-W903 VanDerWaalsContact CA-O 3.3Å; C895-W903 WeakPolarHBondContact CA-O 3.3Å; A896-W903 PolarHBondContact N-O 3.36Å; A896-W903 PolarHBondContact O-N 3.14Å; N901-W903 HydrophobicContact CB-CH2 3.83Å; N901-W903 HydrophobicContact CB-CZ2 3.95Å; N901-W903 HydrophobicContact CB-CZ3 4.13Å; N901-W903 VanDerWaalsContact O-CZ3 3.29Å; N901-W903 WeakPolarHBondContact O-CZ3 3.39Å; W903-F919 HydrophobicContact CB-CD1 4.42Å; W903-F919 HydrophobicContact CD2-CB 4.24Å; W903-F919 HydrophobicContact CD2-CG 4.43Å; W903-F919 HydrophobicContact CG-CB 4.32Å; W903-F919 HydrophobicContact CG-CD1 4.38Å; W903-F919 PolarHBondContact NE1-O 2.99Å; W903-W925 HydrophobicContact CB-CB 4.16Å; W903-W925 HydrophobicContact CB-CD2 4.45Å; W903-W925 HydrophobicContact CB-CE3 3.83Å; W903-W925 HydrophobicContact CG-CB 4.47Å; W903-V926 CarbonylContact C-O 3.6Å; W903-V926 WeakPolarHBondContact CA-O 3.36Å
904A96.1Very high92.5Very high0 Ų032.8 Ų32.80%017%0.174CC..EExtended strand (participates in β ladder)trans-84.7128.5174.500000111.6W737 L741 Y750 M906 W925 V926W737-A904 HydrophobicContact CH2-CB 3.64Å; W737-A904 HydrophobicContact CZ2-CB 3.71Å; W737-A904 HydrophobicContact CZ3-CB 4.44Å; L741-A904 HydrophobicContact CD1-CB 3.38Å; L741-A904 HydrophobicContact CD2-CB 3.61Å; L741-A904 HydrophobicContact CG-CB 4.14Å; Y750-A904 HydrophobicContact CD1-CB 3.83Å; Y750-A904 HydrophobicContact CE1-CB 3.7Å; A904-M906 PolarHBondContact O-N 2.78Å; A904-W925 WeakPolarHBondContact O-CA 3.48Å; A904-V926 PolarHBondContact N-O 3.27Å; A904-V926 PolarHBondContact O-N 2.97Å
905N95.7Very high92.4Very high0 Ų032.8 Ų32.80%018%0.175CC..EExtended strand (participates in β ladder)trans-70.9117.4177.9-179.415.6000111.2R748 Y750 V893 A894 Q907 S909 L915 W925R748-N905 WeakPolarHBondContact CD-O 3.42Å; R748-N905 VanDerWaalsContact CZ-ND2 3.31Å; R748-N905 PolarHBondContact NH1-ND2 3.33Å; R748-N905 PolarHBondContact NH1-O 3.44Å; R748-N905 PolarHBondContact NH2-ND2 3.36Å; Y750-N905 WeakPolarHBondContact CE1-O 3.34Å; Y750-N905 PolarHBondContact OH-O 3.45Å; V893-N905 WeakPolarHBondContact O-CB 3.29Å; V893-N905 PolarHBondContact O-ND2 3.09Å; A894-N905 WeakPolarHBondContact O-CB 3.14Å; A894-N905 PolarHBondContact O-N 3.35Å; N905-Q907 VanDerWaalsContact OD1-CB 3.29Å; N905-Q907 WeakPolarHBondContact OD1-CB 3.42Å; N905-Q907 PolarHBondContact OD1-N 2.81Å; N905-Q907 PolarHBondContact OD1-NE2 2.72Å; N905-S909 PolarHBondContact ND2-O 3.49Å; N905-L915 WeakPolarHBondContact ND2-CD2 3.21Å; N905-W925 HydrophobicContact CB-CE3 4.07Å; N905-W925 HydrophobicContact CB-CH2 3.81Å; N905-W925 HydrophobicContact CB-CZ2 4.49Å; N905-W925 HydrophobicContact CB-CZ3 3.58Å
906M93.7Very high92.2Very high25 Ų2534.7 Ų34.712%0.12319%0.188CC..  trans-100.5-5176.7-71-51.9-44.800114.2L741 R744 H745 A904 V923 Y924 V926L741-M906 HydrophobicContact CD2-SD 3.55Å; L741-M906 VanDerWaalsContact CD2-SD 3.55Å; R744-M906 HydrophobicContact CB-CE 3.73Å; R744-M906 HydrophobicContact CG-CE 4.21Å; H745-M906 PolarHBondContact NE2-O 3.41Å; A904-M906 PolarHBondContact O-N 2.78Å; M906-V923 WeakPolarHBondContact CB-O 3.46Å; M906-Y924 PolarHBondContact N-O 2.79Å; M906-V926 HydrophobicContact CG-CB 4.13Å; M906-V926 HydrophobicContact CG-CG2 3.49Å; M906-V926 VanDerWaalsContact CG-CG2 3.49Å; M906-V926 HydrophobicContact SD-CG2 4.35Å
907Q93.7Very high92Very high23 Ų2335.9 Ų35.911%0.10719%0.193CC..SBendtrans-68.6153.2-176.9-61.7167.483.700111.7R748 N905 S909 L915 S916 Y924R748-Q907 PolarHBondContact NH1-O 2.64Å; R748-Q907 PolarHBondContact NH2-O 3.22Å; N905-Q907 VanDerWaalsContact OD1-CB 3.29Å; N905-Q907 WeakPolarHBondContact OD1-CB 3.42Å; N905-Q907 PolarHBondContact OD1-N 2.81Å; N905-Q907 PolarHBondContact OD1-NE2 2.72Å; Q907-S909 VanDerWaalsContact C-N 3.3Å; Q907-S909 CarbonylContact C-O 3.53Å; Q907-S909 PolarHBondContact O-N 3.46Å; Q907-L915 HydrophobicContact CB-CD2 3.92Å; Q907-L915 HydrophobicContact CG-CD2 4.37Å; Q907-S916 PolarHBondContact NE2-O 3.15Å; Q907-Y924 HydrophobicContact CG-CD1 3.94Å; Q907-Y924 HydrophobicContact CG-CG 3.88Å
908K89.6Confident91.7Very high213 Ų21339.4 Ų39.493%0.92621%0.212SC*.SBendtrans-62.4-33.2-176.6-69.2-175.2178.4-179.40113.9
909S88.4Confident91.6Very high42 Ų4240.7 Ų40.729%0.29422%0.217SC..  trans-100.9161.5171.6-175.30000109.5R748 N905 Q907 H911 S914 L915R748-S909 PolarHBondContact NH2-O 3.1Å; N905-S909 PolarHBondContact ND2-O 3.49Å; Q907-S909 VanDerWaalsContact C-N 3.3Å; Q907-S909 CarbonylContact C-O 3.53Å; Q907-S909 PolarHBondContact O-N 3.46Å; S909-H911 PolarHBondContact OG-N 2.78Å; S909-H911 VanDerWaalsContact OG-N 3.13Å; S909-S914 WeakPolarHBondContact OG-CB 3.37Å; S909-L915 WeakPolarHBondContact O-CD2 3.39Å
910G88.6Confident91.6Very high4 Ų444.2 Ų44.24%0.04124%0.238CC..  trans-118.30.6164.500000113.5W891 D892 V893 L915W891-G910 CarbonylContact O-C 3.59Å; D892-G910 VanDerWaalsContact OD1-CA 3.31Å; D892-G910 WeakPolarHBondContact OD1-CA 3.42Å; V893-G910 PolarHBondContact N-O 3.41Å; G910-L915 VanDerWaalsContact O-CD1 3.31Å; G910-L915 WeakPolarHBondContact O-CD1 3.11Å
911H89.5Confident91.8Very high48 Ų4841.9 Ų41.922%0.22223%0.226CC..SBendtrans-74128-177.9-168.6-84.9000109.7W891 S909 T913 S914 L915W891-H911 WeakPolarHBondContact O-CA 3.27Å; W891-H911 PolarHBondContact O-N 2.75Å; S909-H911 PolarHBondContact OG-N 2.78Å; S909-H911 VanDerWaalsContact OG-N 3.13Å; H911-T913 PolarHBondContact CE1-OG1 3.26Å; H911-T913 PolarHBondContact ND1-OG1 3.45Å; H911-T913 PolarHBondContact O-N 3.05Å; H911-S914 WeakPolarHBondContact O-CA 3.29Å; H911-S914 WeakPolarHBondContact O-CB 3.37Å; H911-S914 PolarHBondContact O-N 2.85Å; H911-L915 PolarHBondContact O-N 3.33Å
912P90.4Very high91.6Very high1 Ų145 Ų451%0.00625%0.248CC..G310 helixtrans-53.3-36.3-170.1-29.734.4000115.6I872 I890 V893 S914 L915 F917I872-P912 HydrophobicContact CD1-CB 3.37Å; I872-P912 HydrophobicContact CD1-CG 3.86Å; I890-P912 HydrophobicContact CG2-CG 4.28Å; I890-P912 WeakPolarHBondContact O-CD 3.35Å; V893-P912 HydrophobicContact CG2-CG 4.19Å; P912-S914 VanDerWaalsContact C-N 3.28Å; P912-S914 PolarHBondContact O-N 3.39Å; P912-L915 PolarHBondContact O-N 2.9Å; P912-F917 HydrophobicContact CB-CE2 4.33Å; P912-F917 HydrophobicContact CB-CZ 4.13Å
913T87.1Confident91.4Very high52 Ų5250 Ų5032%0.31928%0.279SS..G310 helixtrans-63.5-30.8176.1-43.80000113.4R883 N884 H911R883-T913 VanDerWaalsContact O-CA 3.27Å; R883-T913 WeakPolarHBondContact O-CA 3.35Å; R883-T913 PolarHBondContact O-N 3.34Å; R883-T913 PolarHBondContact O-OG1 2.72Å; N884-T913 HydrophobicContact CB-CG2 4.33Å; H911-T913 PolarHBondContact CE1-OG1 3.26Å; H911-T913 PolarHBondContact ND1-OG1 3.45Å; H911-T913 PolarHBondContact O-N 3.05Å
914S88.4Confident91.3Very high78 Ų7852.7 Ų52.755%0.54529%0.29SS..G310 helixtrans-90.1-10.3177.1-51.90000113.5S909 H911 P912S909-S914 WeakPolarHBondContact OG-CB 3.37Å; H911-S914 WeakPolarHBondContact O-CA 3.29Å; H911-S914 WeakPolarHBondContact O-CB 3.37Å; H911-S914 PolarHBondContact O-N 2.85Å; P912-S914 VanDerWaalsContact C-N 3.28Å; P912-S914 PolarHBondContact O-N 3.39Å
915L91.2Very high91.2Very high1 Ų152.7 Ų52.71%0.00529%0.29CS..  trans-87.5135.1-176.4-71.6177.8000112.4R883 V893 N905 Q907 S909 G910 H911 P912 F917R883-L915 PolarHBondContact NE-O 2.8Å; R883-L915 PolarHBondContact NH2-O 2.72Å; V893-L915 HydrophobicContact CB-CD1 3.8Å; V893-L915 HydrophobicContact CG2-CD1 4.02Å; N905-L915 WeakPolarHBondContact ND2-CD2 3.21Å; Q907-L915 HydrophobicContact CB-CD2 3.92Å; Q907-L915 HydrophobicContact CG-CD2 4.37Å; S909-L915 WeakPolarHBondContact O-CD2 3.39Å; G910-L915 VanDerWaalsContact O-CD1 3.31Å; G910-L915 WeakPolarHBondContact O-CD1 3.11Å; H911-L915 PolarHBondContact O-N 3.33Å; P912-L915 PolarHBondContact O-N 2.9Å; L915-F917 HydrophobicContact CB-CD2 4.39Å; L915-F917 HydrophobicContact CB-CE2 3.96Å; L915-F917 HydrophobicContact CB-CZ 4.05Å; L915-F917 HydrophobicContact CD1-CE1 4.21Å; L915-F917 HydrophobicContact CD1-CZ 4Å
916S92.3Very high91.2Very high40 Ų4054.1 Ų54.128%0.2830%0.299SS..  trans-79.7122.4154.6-178.70000108.5Q907 N918 W925Q907-S916 PolarHBondContact NE2-O 3.15Å; S916-N918 PolarHBondContact O-N 3.07Å; S916-W925 PolarHBondContact O-NE1 3.4Å
917F91.6Very high91.2Very high24 Ų2454.3 Ų54.311%0.10530%0.302CS..  trans-91.132.4173.3-68.9-80.4000112L849 M864 I870 R883 P912 L915 F919 W925L849-F917 HydrophobicContact CD1-CE1 4.1Å; L849-F917 HydrophobicContact CD1-CZ 4.45Å; L849-F917 HydrophobicContact CD2-CE1 4.32Å; M864-F917 HydrophobicContact CE-CB 4.45Å; M864-F917 HydrophobicContact CE-CD1 4.38Å; M864-F917 HydrophobicContact SD-CB 3.96Å; M864-F917 HydrophobicContact SD-CD1 3.45Å; M864-F917 WeakPolarHBondContact SD-CD1 3.3Å; M864-F917 HydrophobicContact SD-CD2 4.18Å; M864-F917 HydrophobicContact SD-CE1 3.91Å; M864-F917 HydrophobicContact SD-CG 3.6Å; M864-F917 VanDerWaalsContact SD-CG 3.6Å; M864-F917 HydrophobicContact SD-CZ 4.44Å; I870-F917 HydrophobicContact CD1-CB 4.3Å; I870-F917 HydrophobicContact CD1-CD2 4.3Å; R883-F917 HydrophobicContact CG-CE2 4.29Å; P912-F917 HydrophobicContact CB-CE2 4.33Å; P912-F917 HydrophobicContact CB-CZ 4.13Å; L915-F917 HydrophobicContact CB-CD2 4.39Å; L915-F917 HydrophobicContact CB-CE2 3.96Å; L915-F917 HydrophobicContact CB-CZ 4.05Å; L915-F917 HydrophobicContact CD1-CE1 4.21Å; L915-F917 HydrophobicContact CD1-CZ 4Å; F917-F919 HydrophobicContact CB-CZ 4.48Å; F917-F919 HydrophobicContact CD1-CE1 4.38Å; F917-F919 HydrophobicContact CD1-CZ 4.21Å; F917-F919 PolarHBondContact O-N 3.01Å; F917-W925 HydrophobicContact CD1-CZ2 4.02Å; F917-W925 HydrophobicContact CE1-CZ2 4.32Å
918N91.7Very high91.2Very high74 Ų7453.2 Ų53.240%0.39630%0.297SS..  trans-88.489.5175.4-17522.9000111.6S916 T920 N921S916-N918 PolarHBondContact O-N 3.07Å; N918-T920 PolarHBondContact ND2-OG1 3.23Å; N918-T920 PolarHBondContact O-N 2.88Å; N918-T920 VanDerWaalsContact O-N 3.14Å; N918-T920 PolarHBondContact OD1-N 3.48Å; N918-T920 PolarHBondContact OD1-OG1 3.38Å; N918-N921 PolarHBondContact O-N 3.01Å; N918-N921 VanDerWaalsContact O-N 3.11Å
919F91.8Very high91.3Very high28 Ų2843.8 Ų43.812%0.12326%0.255CS..THydrogen-bonded Turntrans-66.4-8.6-178.4-52-52.5000115F847 M864 A896 W903 F917 N921 W925F847-F919 HydrophobicContact CD1-CD2 4.27Å; F847-F919 AromaticContact CD1-CE2 3.77Å; F847-F919 HydrophobicContact CD1-CE2 3.77Å; F847-F919 HydrophobicContact CD1-CZ 4.43Å; F847-F919 AromaticContact CD2-CE2 3.78Å; F847-F919 HydrophobicContact CD2-CE2 3.78Å; F847-F919 AromaticContact CE1-CD2 3.84Å; F847-F919 HydrophobicContact CE1-CD2 3.84Å; F847-F919 AromaticContact CE1-CE2 3.77Å; F847-F919 HydrophobicContact CE1-CE2 3.77Å; F847-F919 HydrophobicContact CE2-CD2 4.26Å; F847-F919 AromaticContact CE2-CE2 3.79Å; F847-F919 HydrophobicContact CE2-CE2 3.79Å; F847-F919 AromaticContact CG-CE2 3.79Å; F847-F919 HydrophobicContact CG-CE2 3.79Å; F847-F919 HydrophobicContact CG-CZ 4.33Å; F847-F919 AromaticContact CZ-CD2 3.84Å; F847-F919 HydrophobicContact CZ-CD2 3.84Å; F847-F919 AromaticContact CZ-CE2 3.78Å; F847-F919 HydrophobicContact CZ-CE2 3.78Å; M864-F919 HydrophobicContact CE-CE2 3.69Å; M864-F919 HydrophobicContact CE-CZ 3.71Å; A896-F919 HydrophobicContact CB-CD1 4.35Å; A896-F919 HydrophobicContact CB-CE1 3.45Å; A896-F919 VanDerWaalsContact CB-CE1 3.45Å; A896-F919 HydrophobicContact CB-CZ 3.63Å; W903-F919 HydrophobicContact CB-CD1 4.42Å; W903-F919 HydrophobicContact CD2-CB 4.24Å; W903-F919 HydrophobicContact CD2-CG 4.43Å; W903-F919 HydrophobicContact CG-CB 4.32Å; W903-F919 HydrophobicContact CG-CD1 4.38Å; W903-F919 PolarHBondContact NE1-O 2.99Å; F917-F919 HydrophobicContact CB-CZ 4.48Å; F917-F919 HydrophobicContact CD1-CE1 4.38Å; F917-F919 HydrophobicContact CD1-CZ 4.21Å; F917-F919 PolarHBondContact O-N 3.01Å; F919-N921 VanDerWaalsContact C-N 3.33Å; F919-W925 HydrophobicContact CD1-CB 4.33Å; F919-W925 AromaticContact CD1-CD1 3.87Å; F919-W925 AromaticContact CD1-CD2 3.63Å; F919-W925 HydrophobicContact CD1-CD2 3.63Å; F919-W925 AromaticContact CD1-CE2 3.82Å; F919-W925 HydrophobicContact CD1-CE3 4.14Å; F919-W925 AromaticContact CD1-CG 3.7Å; F919-W925 HydrophobicContact CD1-CG 3.7Å; F919-W925 HydrophobicContact CD1-CZ2 4.47Å; F919-W925 AromaticContact CD1-NE1 3.93Å; F919-W925 AromaticContact CE1-CD2 3.81Å; F919-W925 HydrophobicContact CE1-CD2 3.81Å; F919-W925 AromaticContact CE1-CE2 3.66Å; F919-W925 HydrophobicContact CE1-CE3 4.1Å; F919-W925 HydrophobicContact CE1-CG 4.34Å; F919-W925 HydrophobicContact CE1-CH2 4.13Å; F919-W925 AromaticContact CE1-CZ2 3.86Å; F919-W925 HydrophobicContact CE1-CZ2 3.86Å; F919-W925 HydrophobicContact CE1-CZ3 4.24Å
920T91.2Very high91.2Very high122 Ų12243.6 Ų43.675%0.74825%0.254SS*.THydrogen-bonded Turntrans-79.4-16.517268.70000113N918 S922N918-T920 PolarHBondContact ND2-OG1 3.23Å; N918-T920 PolarHBondContact O-N 2.88Å; N918-T920 VanDerWaalsContact O-N 3.14Å; N918-T920 PolarHBondContact OD1-N 3.48Å; N918-T920 PolarHBondContact OD1-OG1 3.38Å; T920-S922 PolarHBondContact O-N 3.39Å
921N92.5Very high90.9Very high47 Ų4753.4 Ų53.425%0.25130%0.295SS..  trans-88.199.2178.1-174.5-16000110.9N918 F919 V923 Y924 W925N918-N921 PolarHBondContact O-N 3.01Å; N918-N921 VanDerWaalsContact O-N 3.11Å; F919-N921 VanDerWaalsContact C-N 3.33Å; N921-V923 PolarHBondContact O-N 2.9Å; N921-V923 VanDerWaalsContact O-N 3.13Å; N921-V923 VanDerWaalsContact OD1-CB 3.27Å; N921-V923 WeakPolarHBondContact OD1-CB 3.49Å; N921-V923 PolarHBondContact OD1-N 3.12Å; N921-Y924 HydrophobicContact CB-CD2 4.13Å; N921-Y924 HydrophobicContact CB-CG 4.38Å; N921-Y924 WeakPolarHBondContact ND2-CD2 3.4Å; N921-Y924 WeakPolarHBondContact ND2-CE2 3.48Å; N921-Y924 PolarHBondContact O-N 3.32Å; N921-W925 PolarHBondContact O-N 2.91Å
922S89.6Confident90.5Very high82 Ų8259.3 Ų59.357%0.57332%0.323SS*.THydrogen-bonded Turntrans-62.4-14.9179.155.90000115.2T920 W925T920-S922 PolarHBondContact O-N 3.39Å; S922-W925 WeakPolarHBondContact CA-O 3.39Å
923V90.9Very high90.3Very high106 Ų10660.7 Ų60.764%0.64233%0.329SS*.THydrogen-bonded Turntrans-77.1-29.1172.1-171.60000111.1M906 N921M906-V923 WeakPolarHBondContact CB-O 3.46Å; N921-V923 PolarHBondContact O-N 2.9Å; N921-V923 VanDerWaalsContact O-N 3.13Å; N921-V923 VanDerWaalsContact OD1-CB 3.27Å; N921-V923 WeakPolarHBondContact OD1-CB 3.49Å; N921-V923 PolarHBondContact OD1-N 3.12Å
924Y93.2Very high90.2Very high96 Ų9665.6 Ų65.638%0.37635%0.348SS..THydrogen-bonded Turntrans-96.5-34.2-180-65.4-11.3000112.7M906 Q907 N921M906-Y924 PolarHBondContact N-O 2.79Å; Q907-Y924 HydrophobicContact CG-CD1 3.94Å; Q907-Y924 HydrophobicContact CG-CG 3.88Å; N921-Y924 HydrophobicContact CB-CD2 4.13Å; N921-Y924 HydrophobicContact CB-CG 4.38Å; N921-Y924 WeakPolarHBondContact ND2-CD2 3.4Å; N921-Y924 WeakPolarHBondContact ND2-CE2 3.48Å; N921-Y924 PolarHBondContact O-N 3.32Å
925W94.7Very high90Very high0 Ų067.4 Ų67.40%035%0.348CS..EExtended strand (participates in β ladder)trans-136.7102.3-174.6-69.7101.5000109.9V893 A896 W903 A904 N905 S916 F917 F919 N921 S922 P927V893-W925 HydrophobicContact CG1-CH2 4.19Å; A896-W925 HydrophobicContact CB-CE3 4.4Å; A896-W925 HydrophobicContact CB-CH2 4.18Å; A896-W925 HydrophobicContact CB-CZ3 3.83Å; W903-W925 HydrophobicContact CB-CB 4.16Å; W903-W925 HydrophobicContact CB-CD2 4.45Å; W903-W925 HydrophobicContact CB-CE3 3.83Å; W903-W925 HydrophobicContact CG-CB 4.47Å; A904-W925 WeakPolarHBondContact O-CA 3.48Å; N905-W925 HydrophobicContact CB-CE3 4.07Å; N905-W925 HydrophobicContact CB-CH2 3.81Å; N905-W925 HydrophobicContact CB-CZ2 4.49Å; N905-W925 HydrophobicContact CB-CZ3 3.58Å; S916-W925 PolarHBondContact O-NE1 3.4Å; F917-W925 HydrophobicContact CD1-CZ2 4.02Å; F917-W925 HydrophobicContact CE1-CZ2 4.32Å; F919-W925 HydrophobicContact CD1-CB 4.33Å; F919-W925 AromaticContact CD1-CD1 3.87Å; F919-W925 AromaticContact CD1-CD2 3.63Å; F919-W925 HydrophobicContact CD1-CD2 3.63Å; F919-W925 AromaticContact CD1-CE2 3.82Å; F919-W925 HydrophobicContact CD1-CE3 4.14Å; F919-W925 AromaticContact CD1-CG 3.7Å; F919-W925 HydrophobicContact CD1-CG 3.7Å; F919-W925 HydrophobicContact CD1-CZ2 4.47Å; F919-W925 AromaticContact CD1-NE1 3.93Å; F919-W925 AromaticContact CE1-CD2 3.81Å; F919-W925 HydrophobicContact CE1-CD2 3.81Å; F919-W925 AromaticContact CE1-CE2 3.66Å; F919-W925 HydrophobicContact CE1-CE3 4.1Å; F919-W925 HydrophobicContact CE1-CG 4.34Å; F919-W925 HydrophobicContact CE1-CH2 4.13Å; F919-W925 AromaticContact CE1-CZ2 3.86Å; F919-W925 HydrophobicContact CE1-CZ2 3.86Å; F919-W925 HydrophobicContact CE1-CZ3 4.24Å; N921-W925 PolarHBondContact O-N 2.91Å; S922-W925 WeakPolarHBondContact CA-O 3.39Å; W925-P927 WeakPolarHBondContact O-CD 3.46Å
926V94.5Very high89.5Confident31 Ų3171.1 Ų71.119%0.18836%0.362CS..EExtended strand (participates in β ladder)trans-80.7116176.3167.30000108.1L741 W903 A904 M906L741-V926 HydrophobicContact CD2-CB 4.44Å; L741-V926 HydrophobicContact CD2-CG1 4.47Å; W903-V926 CarbonylContact C-O 3.6Å; W903-V926 WeakPolarHBondContact CA-O 3.36Å; A904-V926 PolarHBondContact N-O 3.27Å; A904-V926 PolarHBondContact O-N 2.97Å; M906-V926 HydrophobicContact CG-CB 4.13Å; M906-V926 HydrophobicContact CG-CG2 3.49Å; M906-V926 VanDerWaalsContact CG-CG2 3.49Å; M906-V926 HydrophobicContact SD-CG2 4.35Å
927P94.5Very high88.8Confident29 Ų2979 Ų7919%0.18840%0.395CS..EExtended strand (participates in β ladder)trans-73.2161.2175.933.4-36.4000111.1W737 I902 W925 W929W737-P927 PolarHBondContact NE1-O 3.35Å; I902-P927 CarbonylContact O-C 3.45Å; I902-P927 WeakPolarHBondContact O-CA 3.46Å; W925-P927 WeakPolarHBondContact O-CD 3.46Å; P927-W929 WeakPolarHBondContact CB-O 3.49Å
928F93.6Very high88.4Confident0 Ų080.7 Ų80.70%040%0.404CS..SBendtrans-79-59.1169.9-172.3-79.9000110.4L730 Y733 G734 W737 A752 F753 F763 N901 I902 S930 F933L730-F928 HydrophobicContact CD1-CE1 3.46Å; L730-F928 VanDerWaalsContact CD1-CE1 3.46Å; L730-F928 HydrophobicContact CD1-CZ 3.63Å; Y733-F928 HydrophobicContact CD1-CD1 4.35Å; Y733-F928 AromaticContact CD1-CE1 3.76Å; Y733-F928 HydrophobicContact CD1-CE1 3.76Å; Y733-F928 HydrophobicContact CD1-CE2 4.3Å; Y733-F928 AromaticContact CD1-CZ 3.73Å; Y733-F928 HydrophobicContact CD1-CZ 3.73Å; Y733-F928 HydrophobicContact CE1-CD1 4.04Å; Y733-F928 AromaticContact CE1-CE1 3.92Å; Y733-F928 HydrophobicContact CE1-CE1 3.92Å; Y733-F928 HydrophobicContact CE1-CE2 4.43Å; Y733-F928 HydrophobicContact CE1-CG 4.32Å; Y733-F928 HydrophobicContact CE1-CZ 4.13Å; Y733-F928 WeakPolarHBondContact CE1-O 3.21Å; Y733-F928 PolarHBondContact OH-O 3.05Å; G734-F928 VanDerWaalsContact CA-CE2 3.49Å; W737-F928 AromaticContact CD2-CD2 3.77Å; W737-F928 HydrophobicContact CD2-CD2 3.77Å; W737-F928 HydrophobicContact CD2-CE2 4.45Å; W737-F928 AromaticContact CE3-CD2 3.8Å; W737-F928 HydrophobicContact CE3-CD2 3.8Å; W737-F928 HydrophobicContact CE3-CE2 4.34Å; W737-F928 HydrophobicContact CG-CD2 4.2Å; W737-F928 HydrophobicContact CH2-CB 4.41Å; W737-F928 HydrophobicContact CH2-CD2 4.33Å; W737-F928 HydrophobicContact CZ2-CB 3.94Å; W737-F928 HydrophobicContact CZ2-CD2 4.3Å; W737-F928 HydrophobicContact CZ3-CD2 4.1Å; A752-F928 HydrophobicContact CB-CD2 4.41Å; A752-F928 HydrophobicContact CB-CE2 4.18Å; F753-F928 HydrophobicContact CZ-CZ 4.27Å; F763-F928 HydrophobicContact CD2-CZ 4.31Å; F763-F928 AromaticContact CE2-CD1 3.82Å; F763-F928 HydrophobicContact CE2-CD1 3.82Å; F763-F928 AromaticContact CE2-CD2 3.84Å; F763-F928 HydrophobicContact CE2-CD2 3.84Å; F763-F928 AromaticContact CE2-CE1 3.73Å; F763-F928 HydrophobicContact CE2-CE1 3.73Å; F763-F928 AromaticContact CE2-CE2 3.73Å; F763-F928 HydrophobicContact CE2-CE2 3.73Å; F763-F928 AromaticContact CE2-CG 3.88Å; F763-F928 HydrophobicContact CE2-CG 3.88Å; F763-F928 AromaticContact CE2-CZ 3.67Å; F763-F928 HydrophobicContact CE2-CZ 3.67Å; F763-F928 HydrophobicContact CZ-CB 4.41Å; F763-F928 AromaticContact CZ-CD1 3.61Å; F763-F928 HydrophobicContact CZ-CD1 3.61Å; F763-F928 HydrophobicContact CZ-CD2 4.31Å; F763-F928 AromaticContact CZ-CE1 3.84Å; F763-F928 HydrophobicContact CZ-CE1 3.84Å; F763-F928 HydrophobicContact CZ-CE2 4.49Å; F763-F928 AromaticContact CZ-CG 3.88Å; F763-F928 HydrophobicContact CZ-CG 3.88Å; F763-F928 HydrophobicContact CZ-CZ 4.27Å; N901-F928 PolarHBondContact OD1-N 2.86Å; I902-F928 HydrophobicContact CG2-CB 3.49Å; I902-F928 VanDerWaalsContact CG2-CB 3.49Å; I902-F928 HydrophobicContact CG2-CD2 4.15Å; I902-F928 HydrophobicContact CG2-CG 4.03Å; I902-F928 PolarHBondContact O-N 3.4Å; F928-S930 PolarHBondContact O-N 2.9Å; F928-F933 HydrophobicContact CE1-CD1 4.39Å; F928-F933 HydrophobicContact CE1-CE1 4.4Å
929W90.8Very high88.2Confident15 Ų1581.1 Ų81.16%0.05741%0.413CS..SBendtrans-72129.7170.6-49.5120.7000110L730 F763 D900 N901 P927 F933 E934 Q935 R936 L938L730-W929 HydrophobicContact CD1-CH2 3.66Å; L730-W929 HydrophobicContact CD1-CZ2 4.42Å; L730-W929 HydrophobicContact CD1-CZ3 4.13Å; F763-W929 HydrophobicContact CD1-CZ2 4.21Å; F763-W929 AromaticContact CE1-CE2 3.83Å; F763-W929 AromaticContact CE1-CZ2 3.56Å; F763-W929 HydrophobicContact CE1-CZ2 3.56Å; F763-W929 AromaticContact CE1-NE1 3.79Å; F763-W929 HydrophobicContact CZ-CZ2 4.07Å; D900-W929 PolarHBondContact O-NE1 3.41Å; D900-W929 VanDerWaalsContact O-NE1 3.15Å; N901-W929 VanDerWaalsContact CG-CD1 3.48Å; N901-W929 PolarHBondContact ND2-O 3.04Å; N901-W929 PolarHBondContact OD1-N 2.88Å; P927-W929 WeakPolarHBondContact CB-O 3.49Å; W929-F933 AromaticContact CE3-CD1 3.82Å; W929-F933 HydrophobicContact CE3-CD1 3.82Å; W929-F933 HydrophobicContact CE3-CE1 4.18Å; W929-F933 HydrophobicContact CH2-CE1 4.39Å; W929-F933 AromaticContact CZ3-CD1 3.64Å; W929-F933 HydrophobicContact CZ3-CD1 3.64Å; W929-F933 AromaticContact CZ3-CE1 3.51Å; W929-F933 HydrophobicContact CZ3-CE1 3.51Å; W929-E934 VanDerWaalsContact CE3-O 3.32Å; W929-Q935 HydrophobicContact CB-CB 3.98Å; W929-Q935 HydrophobicContact CB-CG 4.46Å; W929-Q935 HydrophobicContact CD2-CB 4.27Å; W929-Q935 HydrophobicContact CD2-CG 4.27Å; W929-Q935 HydrophobicContact CG-CB 3.94Å; W929-Q935 HydrophobicContact CG-CG 3.98Å; W929-R936 HydrophobicContact CH2-CB 3.99Å; W929-R936 HydrophobicContact CH2-CG 4.18Å; W929-R936 HydrophobicContact CZ3-CB 4.28Å; W929-R936 HydrophobicContact CZ3-CG 4.03Å; W929-L938 HydrophobicContact CH2-CD1 4.07Å; W929-L938 HydrophobicContact CZ2-CD1 3.79Å; W929-L938 HydrophobicContact CZ2-CG 4.47Å
930S86.7Confident88Confident37 Ų3781.6 Ų81.626%0.25942%0.42SS..BIsolated β-bridgetrans-155.8177.1-173.569.60000111.2F928 Q932 F933 E934F928-S930 PolarHBondContact O-N 2.9Å; S930-Q932 PolarHBondContact O-N 3.5Å; S930-Q932 PolarHBondContact OG-N 3.32Å; S930-F933 PolarHBondContact N-O 3.04Å; S930-F933 CarbonylContact O-C 3.54Å; S930-F933 PolarHBondContact O-N 3.41Å; S930-E934 PolarHBondContact O-N 3.1Å
931K82.9Confident88Confident210 Ų21078 Ų7891%0.91340%0.397SS*.THydrogen-bonded Turntrans-61.7-5.8171.2-64.8-169.2175.4-169.60114.5
932Q80.9Confident88Confident173 Ų17375.9 Ų75.981%0.80839%0.386SS*.THydrogen-bonded Turntrans-99.5-17.6175-62.7-179.6-27.200112.9S930S930-Q932 PolarHBondContact O-N 3.5Å; S930-Q932 PolarHBondContact OG-N 3.32Å
933F86.3Confident88Confident30 Ų3073.4 Ų73.413%0.13237%0.368CS..BIsolated β-bridgetrans-157.198.3177.9-165.2-114.8000107.8L730 Y733 F928 W929 S930L730-F933 HydrophobicContact CD1-CE1 3.95Å; Y733-F933 HydrophobicContact CD1-CB 4.1Å; Y733-F933 AromaticContact CD1-CD1 3.3Å; Y733-F933 HydrophobicContact CD1-CD1 3.3Å; Y733-F933 AromaticContact CD1-CE1 3.75Å; Y733-F933 HydrophobicContact CD1-CE1 3.75Å; Y733-F933 AromaticContact CD1-CG 3.76Å; Y733-F933 HydrophobicContact CD1-CG 3.76Å; Y733-F933 HydrophobicContact CD2-CB 3.79Å; Y733-F933 HydrophobicContact CD2-CD1 4.22Å; Y733-F933 HydrophobicContact CD2-CD2 4.09Å; Y733-F933 AromaticContact CD2-CG 3.8Å; Y733-F933 HydrophobicContact CD2-CG 3.8Å; Y733-F933 HydrophobicContact CE1-CB 3.81Å; Y733-F933 AromaticContact CE1-CD1 3.64Å; Y733-F933 HydrophobicContact CE1-CD1 3.64Å; Y733-F933 HydrophobicContact CE1-CE1 4.49Å; Y733-F933 AromaticContact CE1-CG 3.97Å; Y733-F933 HydrophobicContact CE1-CG 3.97Å; Y733-F933 HydrophobicContact CE2-CB 3.48Å; Y733-F933 VanDerWaalsContact CE2-CB 3.48Å; Y733-F933 HydrophobicContact CE2-CD1 4.49Å; Y733-F933 HydrophobicContact CE2-CG 4.01Å; Y733-F933 HydrophobicContact CG-CB 4.09Å; Y733-F933 AromaticContact CG-CD1 3.63Å; Y733-F933 HydrophobicContact CG-CD1 3.63Å; Y733-F933 HydrophobicContact CG-CD2 4.05Å; Y733-F933 AromaticContact CG-CE1 3.95Å; Y733-F933 HydrophobicContact CG-CE1 3.95Å; Y733-F933 HydrophobicContact CG-CE2 4.36Å; Y733-F933 AromaticContact CG-CG 3.67Å; Y733-F933 HydrophobicContact CG-CG 3.67Å; Y733-F933 HydrophobicContact CG-CZ 4.32Å; Y733-F933 VanDerWaalsContact CZ-CB 3.48Å; F928-F933 HydrophobicContact CE1-CD1 4.39Å; F928-F933 HydrophobicContact CE1-CE1 4.4Å; W929-F933 AromaticContact CE3-CD1 3.82Å; W929-F933 HydrophobicContact CE3-CD1 3.82Å; W929-F933 HydrophobicContact CE3-CE1 4.18Å; W929-F933 HydrophobicContact CH2-CE1 4.39Å; W929-F933 AromaticContact CZ3-CD1 3.64Å; W929-F933 HydrophobicContact CZ3-CD1 3.64Å; W929-F933 AromaticContact CZ3-CE1 3.51Å; W929-F933 HydrophobicContact CZ3-CE1 3.51Å; S930-F933 PolarHBondContact N-O 3.04Å; S930-F933 CarbonylContact O-C 3.54Å; S930-F933 PolarHBondContact O-N 3.41Å
934E85.2Confident87.9Confident154 Ų15474.7 Ų74.772%0.7237%0.367SS*.PPolyproline II helixtrans-69.8153.3-168.7-59.5-169.1145.100112.2W929 S930 R936W929-E934 VanDerWaalsContact CE3-O 3.32Å; S930-E934 PolarHBondContact O-N 3.1Å; E934-R936 PolarHBondContact O-N 3.06Å
935Q83.4Confident87.6Confident116 Ų11676.1 Ų76.154%0.54238%0.381SS..PPolyproline II helixtrans-65.8125.4-175.1-175.7178-5.400111.1D900 W929D900-Q935 PolarHBondContact O-NE2 3.48Å; W929-Q935 HydrophobicContact CB-CB 3.98Å; W929-Q935 HydrophobicContact CB-CG 4.46Å; W929-Q935 HydrophobicContact CD2-CB 4.27Å; W929-Q935 HydrophobicContact CD2-CG 4.27Å; W929-Q935 HydrophobicContact CG-CB 3.94Å; W929-Q935 HydrophobicContact CG-CG 3.98Å
936R82.2Confident87.4Confident80 Ų8077.1 Ų77.130%0.30239%0.387SS..PPolyproline II helixtrans-95144.5174.2-60.2-177.4-179-168.7-1.6110.5D727 W929 E934 L938D727-R936 IonicContact OD2-CZ 3.5Å; D727-R936 IonicContact OD2-NH1 3.9Å; D727-R936 PolarHBondContact OD2-NH1 3.11Å; D727-R936 IonicContact OD2-NH2 3.14Å; W929-R936 HydrophobicContact CH2-CB 3.99Å; W929-R936 HydrophobicContact CH2-CG 4.18Å; W929-R936 HydrophobicContact CZ3-CB 4.28Å; W929-R936 HydrophobicContact CZ3-CG 4.03Å; E934-R936 PolarHBondContact O-N 3.06Å; R936-L938 HydrophobicContact CB-CD2 4.28Å; R936-L938 HydrophobicContact CB-CG 4.37Å; R936-L938 PolarHBondContact O-N 3.46Å
937Q77.8Confident87.1Confident206 Ų20681.9 Ų81.996%0.96342%0.416SS*.  trans-7593.6169.4-67.8-175.5-2.400109.1
938L83.2Confident86.8Confident59 Ų5982.2 Ų82.231%0.30941%0.414SS..PPolyproline II helixtrans-95.8134.2173.8-58.5178.2000109.4L730 F763 R766 W929 R936L730-L938 HydrophobicContact CD2-CD1 3.75Å; L730-L938 HydrophobicContact CD2-CD2 4.41Å; F763-L938 HydrophobicContact CB-CD1 4.48Å; F763-L938 HydrophobicContact CD1-CD1 3.71Å; F763-L938 HydrophobicContact CE1-CD1 4.37Å; F763-L938 HydrophobicContact CG-CD1 4.42Å; R766-L938 HydrophobicContact CG-CB 4.21Å; R766-L938 HydrophobicContact CG-CD1 4.46Å; W929-L938 HydrophobicContact CH2-CD1 4.07Å; W929-L938 HydrophobicContact CZ2-CD1 3.79Å; W929-L938 HydrophobicContact CZ2-CG 4.47Å; R936-L938 HydrophobicContact CB-CD2 4.28Å; R936-L938 HydrophobicContact CB-CG 4.37Å; R936-L938 PolarHBondContact O-N 3.46Å
939S85.8Confident86.5Confident83 Ų8385 Ų8558%0.5843%0.434SS*.PPolyproline II helixtrans-69.3141.2175.254.40000111.5R766R766-S939 PolarHBondContact NE-O 3.11Å; R766-S939 PolarHBondContact NH2-O 3.26Å; R766-S939 VanDerWaalsContact NH2-O 3.09Å; R766-S939 PolarHBondContact NH2-OG 2.98Å; R766-S939 VanDerWaalsContact NH2-OG 3.12Å
940S89.3Confident86.2Confident37 Ų3791.1 Ų91.126%0.25947%0.467SS..PPolyproline II helixtrans-57.1143.2167.9168.70000110.9R766 Q942R766-S940 WeakPolarHBondContact O-CA 3.46Å; S940-Q942 WeakPolarHBondContact OG-CA 3.31Å; S940-Q942 WeakPolarHBondContact OG-CB 3.42Å; S940-Q942 PolarHBondContact OG-N 2.98Å; S940-Q942 PolarHBondContact OG-O 2.93Å
941V91Very high86.1Confident46 Ų4691.2 Ų91.228%0.27947%0.466SS..SBendtrans-85.8-16.2165.3-60.50000112.3V762 R766 Y767 T816V762-V941 HydrophobicContact CG1-CG1 3.94Å; R766-V941 HydrophobicContact CB-CG1 4.27Å; R766-V941 WeakPolarHBondContact O-CG2 3.12Å; R766-V941 PolarHBondContact O-N 3.32Å; Y767-V941 HydrophobicContact CD1-CG2 3.81Å; Y767-V941 HydrophobicContact CD2-CG2 3.97Å; Y767-V941 HydrophobicContact CE1-CG2 3.93Å; Y767-V941 HydrophobicContact CE2-CG2 4.07Å; Y767-V941 HydrophobicContact CG-CG2 3.85Å; T816-V941 WeakPolarHBondContact CG2-O 3.38Å
942Q91.7Very high86.2Confident3 Ų383.5 Ų83.51%0.01444%0.435CS..SBendtrans-75.3142.4171.5-51.1-68.27.200111.4Y767 R769 I771 I817 S940Y767-Q942 VanDerWaalsContact O-CG 3.26Å; Y767-Q942 WeakPolarHBondContact O-CG 3.35Å; Y767-Q942 PolarHBondContact O-NE2 3.19Å; R769-Q942 HydrophobicContact CB-CB 3.93Å; R769-Q942 HydrophobicContact CB-CG 4.31Å; R769-Q942 WeakPolarHBondContact CD-O 3.49Å; R769-Q942 PolarHBondContact NH1-O 3.15Å; R769-Q942 VanDerWaalsContact NH1-O 3.16Å; I771-Q942 HydrophobicContact CD1-CB 3.88Å; I817-Q942 HydrophobicContact CD1-CG 4.47Å; S940-Q942 WeakPolarHBondContact OG-CA 3.31Å; S940-Q942 WeakPolarHBondContact OG-CB 3.42Å; S940-Q942 PolarHBondContact OG-N 2.98Å; S940-Q942 PolarHBondContact OG-O 2.93Å
943P89.9Confident86.5Confident30 Ų3080.8 Ų80.820%0.19542%0.424CS..  trans-64.3163.2-179.428.2-36.9000113.3R769 E818 V946R769-P943 WeakPolarHBondContact CD-O 3.29Å; R769-P943 PolarHBondContact NE-O 2.95Å; E818-P943 HydrophobicContact CB-CG 4.24Å; P943-V946 HydrophobicContact CG-CG2 3.95Å
944E88.2Confident86.5Confident133 Ų13385 Ų8562%0.62144%0.444SS*.SBendtrans-59.3-48.1-178.9-59.8-80.4116.100112.6R769R769-E944 VanDerWaalsContact CZ-CA 3.49Å; R769-E944 IonicContact CZ-OE1 3.98Å; R769-E944 IonicContact NH1-OE1 3.27Å; R769-E944 PolarHBondContact NH1-OE1 3.12Å; R769-E944 IonicContact NH2-OE1 3.27Å; R769-E944 PolarHBondContact NH2-OE1 3.49Å; R769-E944 IonicContact NH2-OE2 2.77Å; R769-E944 PolarHBondContact NH2-OE2 2.96Å
945N87.6Confident86.5Confident127 Ų12778 Ų7868%0.67941%0.411SS*.  trans-138.7159.8179.9-63.8-78.2000107.6
946V89.6Confident86.8Confident20 Ų2072.7 Ų72.712%0.12139%0.387CS..  trans-125.2126.3175.9176.10000107.4I771 I817 L821 P943 Y948I771-V946 HydrophobicContact CD1-CG2 4.29Å; I771-V946 HydrophobicContact CG2-CB 4.19Å; I771-V946 HydrophobicContact CG2-CG2 3.8Å; I817-V946 HydrophobicContact CG2-CG2 3.93Å; L821-V946 HydrophobicContact CD1-CG1 3.75Å; P943-V946 HydrophobicContact CG-CG2 3.95Å; V946-Y948 HydrophobicContact CB-CE1 4.3Å; V946-Y948 HydrophobicContact CB-CE2 4.47Å; V946-Y948 HydrophobicContact CG1-CD1 4.19Å; V946-Y948 HydrophobicContact CG1-CE1 3.66Å; V946-Y948 WeakPolarHBondContact O-CE2 3.48Å
947T87.8Confident87.1Confident131 Ų13173.8 Ų73.880%0.80440%0.398SS*.PPolyproline II helixtrans-84.7121.9176.4-57.50000109.1
948Y89.5Confident87.6Confident37 Ų3766.1 Ų66.115%0.14536%0.362CS..PPolyproline II helixtrans-98.5124.7175.8-54.4-73.3000109.8Q772 P774 L821 W838 V946Q772-Y948 VanDerWaalsContact O-CE2 3.23Å; Q772-Y948 WeakPolarHBondContact O-CE2 3.28Å; Q772-Y948 PolarHBondContact O-OH 3.06Å; P774-Y948 HydrophobicContact CB-CD1 4.46Å; P774-Y948 HydrophobicContact CB-CG 4.33Å; P774-Y948 HydrophobicContact CG-CD1 3.74Å; P774-Y948 HydrophobicContact CG-CD2 4.41Å; P774-Y948 HydrophobicContact CG-CE1 3.76Å; P774-Y948 HydrophobicContact CG-CE2 4.43Å; P774-Y948 HydrophobicContact CG-CG 4.08Å; L821-Y948 HydrophobicContact CD1-CD1 4.38Å; L821-Y948 HydrophobicContact CD1-CE1 3.9Å; W838-Y948 HydrophobicContact CZ2-CE1 4.17Å; W838-Y948 AromaticContact NE1-CZ 3.89Å; W838-Y948 PolarHBondContact NE1-OH 3.08Å; V946-Y948 HydrophobicContact CB-CE1 4.3Å; V946-Y948 HydrophobicContact CB-CE2 4.47Å; V946-Y948 HydrophobicContact CG1-CD1 4.19Å; V946-Y948 HydrophobicContact CG1-CE1 3.66Å; V946-Y948 WeakPolarHBondContact O-CE2 3.48Å
949S86.6Confident87.9Confident59 Ų5963.5 Ų63.541%0.41335%0.348SS..PPolyproline II helixtrans-68.4152171.1630000110.4S1067 C1068S949-S1067 WeakPolarHBondContact O-CA 3.29Å; S949-S1067 WeakPolarHBondContact O-CB 3.49Å; S949-S1067 PolarHBondContact O-OG 3.37Å; S949-C1068 PolarHBondContact O-N 2.78Å; S949-C1068 VanDerWaalsContact O-N 3.17Å; S949-C1068 VanDerWaalsContact OG-CA 3.28Å; S949-C1068 WeakPolarHBondContact OG-CA 3.46Å; S949-C1068 PolarHBondContact OG-N 2.93Å
950L85.6Confident88.2Confident142 Ų14259.9 Ų59.974%0.74332%0.322SS*.PPolyproline II helixtrans-75152.9178.9-68.1174.1000111.5N952L950-N952 PolarHBondContact O-N 2.86Å
951P84.4Confident88.3Confident39 Ų3962.1 Ų62.125%0.25333%0.334SS..PPolyproline II helixtrans-59.6124177.8-21.630.4000113.4M953 G1065P951-M953 HydrophobicContact CB-CE 4.22Å; P951-M953 PolarHBondContact O-N 3.02Å; P951-G1065 WeakPolarHBondContact CB-O 3.13Å
952N85.3Confident88.3Confident49 Ų4961.2 Ų61.226%0.26233%0.326SS..  trans-82.695.6176.7-168.3-22.3000110.7E465 L950 E954 M955 S956E465-N952 PolarHBondContact OE2-ND2 3.31Å; E465-N952 VanDerWaalsContact OE2-ND2 3.17Å; L950-N952 PolarHBondContact O-N 2.86Å; N952-E954 PolarHBondContact OD1-N 2.98Å; N952-M955 HydrophobicContact CB-CB 3.81Å; N952-M955 VanDerWaalsContact OD1-CB 3.29Å; N952-M955 WeakPolarHBondContact OD1-CB 3.2Å; N952-M955 PolarHBondContact OD1-N 2.72Å; N952-M955 VanDerWaalsContact OD1-N 3.1Å; N952-S956 PolarHBondContact O-N 3.26Å; N952-S956 PolarHBondContact O-OG 3.01Å
953M86.1Confident88.3Confident116 Ų11661.2 Ų61.257%0.57133%0.326SS*.Hα-helixtrans-70.6-34.6-176-68.3-68.3177.900113.3P951 S956 L957P951-M953 HydrophobicContact CB-CE 4.22Å; P951-M953 PolarHBondContact O-N 3.02Å; M953-S956 WeakPolarHBondContact O-CB 3.46Å; M953-S956 PolarHBondContact O-N 3.49Å; M953-L957 WeakPolarHBondContact O-CG 3.37Å; M953-L957 PolarHBondContact O-N 3.3Å
954E85.8Confident88.5Confident119 Ų11963.3 Ų63.356%0.55633%0.33SS*.Hα-helixtrans-67.2-48.6176.6-171.8-170.3136.600110.5N952 S956 L957 K958N952-E954 PolarHBondContact OD1-N 2.98Å; E954-S956 VanDerWaalsContact C-N 3.25Å; E954-S956 PolarHBondContact O-N 3.13Å; E954-L957 PolarHBondContact O-N 2.73Å; E954-K958 HydrophobicContact CG-CD 4.31Å; E954-K958 PolarHBondContact O-N 3.1Å; E954-K958 WeakPolarHBondContact OE1-CE 3.23Å; E954-K958 IonicContact OE1-NZ 2.73Å; E954-K958 PolarHBondContact OE1-NZ 3.45Å
955M85.1Confident88.7Confident6 Ų660.5 Ų60.53%0.0332%0.316CS..Hα-helixtrans-57.2-37.7174.1179.463.5137.600112.2Y463 E465 L466 N952 L957 K958 L959 Y1071Y463-M955 VanDerWaalsContact CA-CE 3.5Å; Y463-M955 HydrophobicContact CD1-CE 3.99Å; Y463-M955 HydrophobicContact CD1-SD 3.48Å; Y463-M955 WeakPolarHBondContact CD1-SD 3Å; Y463-M955 HydrophobicContact CE1-SD 4.1Å; Y463-M955 HydrophobicContact CG-CE 4.19Å; Y463-M955 HydrophobicContact CG-SD 3.92Å; E465-M955 HydrophobicContact CB-CE 4.25Å; L466-M955 HydrophobicContact CB-CE 3.94Å; L466-M955 HydrophobicContact CD1-CE 3.57Å; L466-M955 HydrophobicContact CD1-SD 4.34Å; L466-M955 HydrophobicContact CG-CE 3.69Å; N952-M955 HydrophobicContact CB-CB 3.81Å; N952-M955 VanDerWaalsContact OD1-CB 3.29Å; N952-M955 WeakPolarHBondContact OD1-CB 3.2Å; N952-M955 PolarHBondContact OD1-N 2.72Å; N952-M955 VanDerWaalsContact OD1-N 3.1Å; M955-L957 PolarHBondContact O-N 2.91Å; M955-K958 PolarHBondContact O-N 3.4Å; M955-L959 VanDerWaalsContact O-CB 3.27Å; M955-L959 WeakPolarHBondContact O-CB 3.48Å; M955-L959 PolarHBondContact O-N 3.17Å; M955-Y1071 HydrophobicContact CG-CE1 4.38Å; M955-Y1071 WeakPolarHBondContact CG-OH 3.35Å
956S89.7Confident88.8Confident5 Ų555 Ų554%0.03529%0.286CS..Hα-helixtrans-61-43.7173.9-58.70000112.2N952 M953 E954 E960 G1065N952-S956 PolarHBondContact O-N 3.26Å; N952-S956 PolarHBondContact O-OG 3.01Å; M953-S956 WeakPolarHBondContact O-CB 3.46Å; M953-S956 PolarHBondContact O-N 3.49Å; E954-S956 VanDerWaalsContact C-N 3.25Å; E954-S956 PolarHBondContact O-N 3.13Å; S956-E960 WeakPolarHBondContact O-CB 3.01Å; S956-E960 PolarHBondContact O-N 3.37Å; S956-G1065 WeakPolarHBondContact OG-CA 3.2Å; S956-G1065 PolarHBondContact OG-N 2.91Å
957L90.1Very high89Confident102 Ų10254 Ų5453%0.53428%0.281SS..Hα-helixtrans-71.3-36.7178-68.2170.3000112.8M953 E954 M955 T961M953-L957 WeakPolarHBondContact O-CG 3.37Å; M953-L957 PolarHBondContact O-N 3.3Å; E954-L957 PolarHBondContact O-N 2.73Å; M955-L957 PolarHBondContact O-N 2.91Å; L957-T961 WeakPolarHBondContact O-CB 3.28Å; L957-T961 PolarHBondContact O-N 3.45Å; L957-T961 VanDerWaalsContact O-N 3.11Å; L957-T961 PolarHBondContact O-OG1 3.09Å
958K88Confident89.2Confident46 Ų4649.4 Ų49.420%0.225%0.252CS..Hα-helixtrans-60.8-53172-77.8177.4165.51750110.4E462 Y463 E954 M955 E960 T961 R962E462-K958 HydrophobicContact CB-CD 4.24Å; E462-K958 VanDerWaalsContact CD-CE 3.4Å; E462-K958 VanDerWaalsContact OE1-CE 3.28Å; E462-K958 WeakPolarHBondContact OE1-CE 3.33Å; E462-K958 IonicContact OE1-NZ 3.73Å; E462-K958 PolarHBondContact OE1-NZ 2.71Å; E462-K958 WeakPolarHBondContact OE2-CE 3.36Å; E462-K958 IonicContact OE2-NZ 2.63Å; E462-K958 PolarHBondContact OE2-NZ 3.42Å; Y463-K958 HydrophobicContact CE1-CB 4.22Å; Y463-K958 PolarHBondContact OH-O 3.34Å; Y463-K958 VanDerWaalsContact OH-O 3.07Å; E954-K958 HydrophobicContact CG-CD 4.31Å; E954-K958 PolarHBondContact O-N 3.1Å; E954-K958 WeakPolarHBondContact OE1-CE 3.23Å; E954-K958 IonicContact OE1-NZ 2.73Å; E954-K958 PolarHBondContact OE1-NZ 3.45Å; M955-K958 PolarHBondContact O-N 3.4Å; K958-E960 PolarHBondContact O-N 2.8Å; K958-T961 WeakPolarHBondContact O-CA 3.41Å; K958-T961 WeakPolarHBondContact O-CB 3.2Å; K958-T961 PolarHBondContact O-N 2.77Å; K958-R962 PolarHBondContact O-N 3.06Å
959L89Confident89.2Confident3 Ų351.7 Ų51.72%0.01626%0.264CS..Hα-helixtrans-60.7-40.3177.3-175.859.7000112.9Y463 L466 M955 T961 R962 L963 F1032 V1063 Y1071Y463-L959 HydrophobicContact CE1-CB 4.13Å; Y463-L959 HydrophobicContact CE1-CD1 4.3Å; L466-L959 HydrophobicContact CD1-CD2 4.16Å; M955-L959 VanDerWaalsContact O-CB 3.27Å; M955-L959 WeakPolarHBondContact O-CB 3.48Å; M955-L959 PolarHBondContact O-N 3.17Å; L959-T961 VanDerWaalsContact C-N 3.26Å; L959-T961 PolarHBondContact O-N 2.77Å; L959-R962 PolarHBondContact O-N 2.92Å; L959-L963 HydrophobicContact CD1-CD1 3.86Å; L959-L963 HydrophobicContact CD1-CD2 4.42Å; L959-L963 HydrophobicContact CD1-CG 3.83Å; L959-L963 HydrophobicContact CG-CD1 3.86Å; L959-L963 HydrophobicContact CG-CG 4.26Å; L959-L963 WeakPolarHBondContact O-CB 3.46Å; L959-L963 VanDerWaalsContact O-CG 3.32Å; L959-L963 WeakPolarHBondContact O-CG 3.31Å; L959-L963 PolarHBondContact O-N 3.14Å; L959-F1032 HydrophobicContact CD1-CD1 4.13Å; L959-F1032 HydrophobicContact CD1-CE1 3.65Å; L959-F1032 HydrophobicContact CD1-CE2 4.43Å; L959-F1032 HydrophobicContact CD1-CZ 3.82Å; L959-F1032 HydrophobicContact CD2-CD1 3.62Å; L959-F1032 HydrophobicContact CD2-CE1 3.98Å; L959-F1032 HydrophobicContact CD2-CG 4.13Å; L959-F1032 HydrophobicContact CG-CE1 4.49Å; L959-V1063 HydrophobicContact CD2-CG1 4.08Å; L959-V1063 HydrophobicContact CG-CG1 4.44Å; L959-V1063 HydrophobicContact CG-CG2 4.44Å; L959-Y1071 HydrophobicContact CD2-CD1 4.28Å; L959-Y1071 HydrophobicContact CD2-CD2 4.27Å; L959-Y1071 HydrophobicContact CD2-CG 4.04Å
960E93Very high89.4Confident8 Ų851 Ų514%0.03725%0.254CS..Hα-helixtrans-57.5-41173-171-168.8114.200112.1S956 K958 R964 R991 V1061 Y1062 V1063S956-E960 WeakPolarHBondContact O-CB 3.01Å; S956-E960 PolarHBondContact O-N 3.37Å; K958-E960 PolarHBondContact O-N 2.8Å; E960-R964 VanDerWaalsContact O-CB 3.29Å; E960-R964 WeakPolarHBondContact O-CB 3.24Å; E960-R964 PolarHBondContact O-N 3.13Å; E960-R964 IonicContact OE1-CZ 3.52Å; E960-R964 IonicContact OE1-NH1 2.76Å; E960-R964 IonicContact OE1-NH2 3.48Å; E960-R964 PolarHBondContact OE1-NH2 3.36Å; E960-R991 VanDerWaalsContact CD-NH2 3.35Å; E960-R991 IonicContact OE1-CZ 2.69Å; E960-R991 IonicContact OE1-NE 2.78Å; E960-R991 PolarHBondContact OE1-NE 3.31Å; E960-R991 IonicContact OE1-NH2 2.73Å; E960-R991 PolarHBondContact OE1-NH2 2.96Å; E960-R991 VanDerWaalsContact OE1-NH2 3.14Å; E960-R991 IonicContact OE2-CZ 3.76Å; E960-R991 IonicContact OE2-NE 2.7Å; E960-R991 PolarHBondContact OE2-NE 3.39Å; E960-R991 IonicContact OE2-NH2 3.94Å; E960-R991 PolarHBondContact OE2-NH2 2.91Å; E960-V1061 HydrophobicContact CG-CB 4.31Å; E960-V1061 HydrophobicContact CG-CG1 4.11Å; E960-V1061 WeakPolarHBondContact CG-O 3.31Å; E960-Y1062 WeakPolarHBondContact OE2-CD2 3.19Å; E960-V1063 HydrophobicContact CB-CB 4.08Å; E960-V1063 HydrophobicContact CB-CG2 3.8Å; E960-V1063 HydrophobicContact CG-CG2 4.31Å
961T90.8Very high89.5Confident84 Ų8444.2 Ų44.252%0.51522%0.219SC..Hα-helixtrans-72.7-44.5-179.3-57.70000111.4L957 K958 L959 R964 K965L957-T961 WeakPolarHBondContact O-CB 3.28Å; L957-T961 PolarHBondContact O-N 3.45Å; L957-T961 VanDerWaalsContact O-N 3.11Å; L957-T961 PolarHBondContact O-OG1 3.09Å; K958-T961 WeakPolarHBondContact O-CA 3.41Å; K958-T961 WeakPolarHBondContact O-CB 3.2Å; K958-T961 PolarHBondContact O-N 2.77Å; L959-T961 VanDerWaalsContact C-N 3.26Å; L959-T961 PolarHBondContact O-N 2.77Å; T961-R964 WeakPolarHBondContact O-CB 3.45Å; T961-R964 PolarHBondContact O-N 3Å; T961-K965 PolarHBondContact O-N 2.76Å
962R90.7Very high89.7Confident27 Ų2746.7 Ų46.710%0.10223%0.228CC..Hα-helixtrans-65.4-46.7178.4-178.7168.1169.794.710.5112.4E459 Y463 K958 L959 R964 K965 V966 E1035E459-R962 IonicContact OE2-NH1 2.75Å; E459-R962 PolarHBondContact OE2-NH1 3.33Å; E459-R962 VanDerWaalsContact OE2-NH1 3.15Å; Y463-R962 WeakPolarHBondContact OH-CB 3.39Å; K958-R962 PolarHBondContact O-N 3.06Å; L959-R962 PolarHBondContact O-N 2.92Å; R962-R964 VanDerWaalsContact C-N 3.27Å; R962-R964 PolarHBondContact O-N 2.67Å; R962-K965 WeakPolarHBondContact O-CB 3.48Å; R962-K965 PolarHBondContact O-N 3.07Å; R962-K965 VanDerWaalsContact O-N 3.12Å; R962-V966 HydrophobicContact CG-CG2 4.3Å; R962-V966 WeakPolarHBondContact O-CG2 3.31Å; R962-V966 PolarHBondContact O-N 2.93Å; R962-E1035 IonicContact CZ-OE1 3.95Å; R962-E1035 IonicContact NE-OE1 3.47Å; R962-E1035 PolarHBondContact NE-OE1 2.75Å; R962-E1035 IonicContact NH2-OE1 2.7Å; R962-E1035 PolarHBondContact NH2-OE1 3Å; R962-E1035 IonicContact NH2-OE2 2.68Å
963L92.4Very high89.9Confident3 Ų351.7 Ų51.72%0.01625%0.248CC..Hα-helixtrans-62.2-34.6175.7-69.9175.4000112.4L959 V967 F1032 E1035 I1038 V1061 V1063 V1073L959-L963 HydrophobicContact CD1-CD1 3.86Å; L959-L963 HydrophobicContact CD1-CD2 4.42Å; L959-L963 HydrophobicContact CD1-CG 3.83Å; L959-L963 HydrophobicContact CG-CD1 3.86Å; L959-L963 HydrophobicContact CG-CG 4.26Å; L959-L963 WeakPolarHBondContact O-CB 3.46Å; L959-L963 VanDerWaalsContact O-CG 3.32Å; L959-L963 WeakPolarHBondContact O-CG 3.31Å; L959-L963 PolarHBondContact O-N 3.14Å; L963-V967 WeakPolarHBondContact O-CB 3.45Å; L963-V967 VanDerWaalsContact O-CG2 3.31Å; L963-V967 WeakPolarHBondContact O-CG2 3.37Å; L963-V967 PolarHBondContact O-N 3.24Å; L963-F1032 HydrophobicContact CD1-CD2 4.35Å; L963-F1032 HydrophobicContact CD1-CE2 4.35Å; L963-F1032 HydrophobicContact CD2-CE2 3.83Å; L963-F1032 HydrophobicContact CD2-CZ 4.37Å; L963-E1035 HydrophobicContact CD2-CG 4.16Å; L963-I1038 HydrophobicContact CD1-CD1 3.72Å; L963-I1038 HydrophobicContact CD2-CD1 3.72Å; L963-I1038 HydrophobicContact CG-CD1 4.35Å; L963-V1061 HydrophobicContact CB-CG1 4.06Å; L963-V1063 HydrophobicContact CD1-CG2 4.31Å; L963-V1073 HydrophobicContact CD1-CG1 3.91Å; L963-V1073 HydrophobicContact CD1-CG2 4.04Å
964R93.4Very high89.8Confident74 Ų7450.1 Ų50.128%0.27924%0.236SC..Hα-helixtrans-65.6-41.7173.4-174.2-176.9-63.9131.82.9112.2E960 T961 R962 T968 L1059 V1061E960-R964 VanDerWaalsContact O-CB 3.29Å; E960-R964 WeakPolarHBondContact O-CB 3.24Å; E960-R964 PolarHBondContact O-N 3.13Å; E960-R964 IonicContact OE1-CZ 3.52Å; E960-R964 IonicContact OE1-NH1 2.76Å; E960-R964 IonicContact OE1-NH2 3.48Å; E960-R964 PolarHBondContact OE1-NH2 3.36Å; T961-R964 WeakPolarHBondContact O-CB 3.45Å; T961-R964 PolarHBondContact O-N 3Å; R962-R964 VanDerWaalsContact C-N 3.27Å; R962-R964 PolarHBondContact O-N 2.67Å; R964-T968 VanDerWaalsContact O-CB 3.3Å; R964-T968 WeakPolarHBondContact O-CB 2.93Å; R964-T968 PolarHBondContact O-N 3.37Å; R964-T968 PolarHBondContact O-OG1 3.16Å; R964-L1059 HydrophobicContact CG-CD2 4.1Å; R964-L1059 WeakPolarHBondContact O-CD2 3.36Å; R964-V1061 HydrophobicContact CB-CB 4.33Å; R964-V1061 HydrophobicContact CB-CG2 4.03Å; R964-V1061 PolarHBondContact NH2-O 2.89Å
965K91.9Very high89.8Confident74 Ų7445.1 Ų45.132%0.32221%0.212SC..Hα-helixtrans-60-58173.5175.2-175173.7-167.90110.3E459 T961 R962 V967 T968 E969E459-K965 IonicContact OE1-NZ 3.52Å; E459-K965 PolarHBondContact OE1-NZ 2.82Å; E459-K965 IonicContact OE2-NZ 3.71Å; E459-K965 PolarHBondContact OE2-NZ 3.36Å; T961-K965 PolarHBondContact O-N 2.76Å; R962-K965 WeakPolarHBondContact O-CB 3.48Å; R962-K965 PolarHBondContact O-N 3.07Å; R962-K965 VanDerWaalsContact O-N 3.12Å; K965-V967 PolarHBondContact O-N 3.06Å; K965-T968 WeakPolarHBondContact O-CB 3.42Å; K965-T968 PolarHBondContact O-N 2.82Å; K965-T968 VanDerWaalsContact O-N 3.1Å; K965-E969 WeakPolarHBondContact CG-OE1 2.18Å; K965-E969 WeakPolarHBondContact O-CG 3.39Å; K965-E969 PolarHBondContact O-N 3.13Å
966V91.3Very high89.3Confident10 Ų1050.6 Ų50.66%0.06125%0.247CC..Hα-helixtrans-60.3-44.1-175.4172.30000113.2R962 E969 H970 E1035 L1039R962-V966 HydrophobicContact CG-CG2 4.3Å; R962-V966 WeakPolarHBondContact O-CG2 3.31Å; R962-V966 PolarHBondContact O-N 2.93Å; V966-E969 PolarHBondContact O-N 3.25Å; V966-H970 WeakPolarHBondContact O-CB 2.18Å; V966-H970 PolarHBondContact O-N 3.31Å; V966-H970 PolarHBondContact O-ND1 3.42Å; V966-E1035 WeakPolarHBondContact CG1-OE2 3.43Å; V966-E1035 WeakPolarHBondContact CG2-OE2 3.49Å; V966-L1039 HydrophobicContact CG1-CD1 3.97Å; V966-L1039 HydrophobicContact CG1-CD2 4.28Å; V966-L1039 HydrophobicContact CG1-CG 4.41Å
967V92.2Very high88.5Confident1 Ų159.3 Ų59.31%0.00629%0.288CS..Hα-helixtrans-70.2-33.1177.4175.30000111.7L963 K965 L971 I1038 L1039 V1042 L1059 L1075L963-V967 WeakPolarHBondContact O-CB 3.45Å; L963-V967 VanDerWaalsContact O-CG2 3.31Å; L963-V967 WeakPolarHBondContact O-CG2 3.37Å; L963-V967 PolarHBondContact O-N 3.24Å; K965-V967 PolarHBondContact O-N 3.06Å; V967-L971 HydrophobicContact CG1-CD1 3.96Å; V967-L971 HydrophobicContact CG1-CG 4.38Å; V967-L971 WeakPolarHBondContact O-CB 3.5Å; V967-L971 VanDerWaalsContact O-CG 3.28Å; V967-L971 WeakPolarHBondContact O-CG 2.92Å; V967-L971 PolarHBondContact O-N 2.76Å; V967-I1038 HydrophobicContact CG2-CG2 4.09Å; V967-L1039 HydrophobicContact CG2-CD2 4.2Å; V967-V1042 HydrophobicContact CG1-CG2 4.37Å; V967-L1059 HydrophobicContact CB-CD1 4.38Å; V967-L1059 HydrophobicContact CB-CD2 4.16Å; V967-L1059 HydrophobicContact CG1-CD1 3.72Å; V967-L1059 HydrophobicContact CG1-CD2 4.11Å; V967-L1075 HydrophobicContact CG1-CD1 4.36Å
968T92.1Very high87.7Confident33 Ų3356 Ų5620%0.20227%0.273CS..Hα-helixtrans-63.2-49.5173.6-62.10000110.8R964 K965 H970 L971 M972 F982 L1059R964-T968 VanDerWaalsContact O-CB 3.3Å; R964-T968 WeakPolarHBondContact O-CB 2.93Å; R964-T968 PolarHBondContact O-N 3.37Å; R964-T968 PolarHBondContact O-OG1 3.16Å; K965-T968 WeakPolarHBondContact O-CB 3.42Å; K965-T968 PolarHBondContact O-N 2.82Å; K965-T968 VanDerWaalsContact O-N 3.1Å; T968-H970 PolarHBondContact O-N 2.86Å; T968-L971 PolarHBondContact O-N 3.49Å; T968-M972 HydrophobicContact CG2-CE 3.83Å; T968-M972 WeakPolarHBondContact O-CG 3.46Å; T968-M972 PolarHBondContact O-N 3.39Å; T968-F982 HydrophobicContact CG2-CD2 4.31Å; T968-F982 HydrophobicContact CG2-CE1 4.41Å; T968-F982 HydrophobicContact CG2-CE2 3.79Å; T968-F982 HydrophobicContact CG2-CZ 3.85Å; T968-L1059 WeakPolarHBondContact OG1-CD2 3.34Å
969E90.5Very high87.4Confident85 Ų8560.1 Ų60.140%0.39730%0.296SS..Hα-helixtrans-62.1-42.9-179.7-70.7165.2179.900111.7K965 V966 M972 K973K965-E969 WeakPolarHBondContact CG-OE1 2.18Å; K965-E969 WeakPolarHBondContact O-CG 3.39Å; K965-E969 PolarHBondContact O-N 3.13Å; V966-E969 PolarHBondContact O-N 3.25Å; E969-M972 PolarHBondContact O-N 2.82Å; E969-K973 VanDerWaalsContact O-CB 3.29Å; E969-K973 WeakPolarHBondContact O-CB 3.22Å; E969-K973 PolarHBondContact O-N 2.96Å
970H90.2Very high87.2Confident44 Ų4460.8 Ų60.820%0.20430%0.301CS..Hα-helixtrans-68-39.6176.5-78.185.2000113.1V966 T968 M972 K973 W974 L1039V966-H970 WeakPolarHBondContact O-CB 2.18Å; V966-H970 PolarHBondContact O-N 3.31Å; V966-H970 PolarHBondContact O-ND1 3.42Å; T968-H970 PolarHBondContact O-N 2.86Å; H970-M972 VanDerWaalsContact C-N 3.28Å; H970-M972 PolarHBondContact O-N 3.29Å; H970-K973 PolarHBondContact O-N 3.27Å; H970-W974 HydrophobicContact CB-CD2 4.39Å; H970-W974 HydrophobicContact CB-CE3 4.31Å; H970-W974 HydrophobicContact CB-CH2 3.95Å; H970-W974 HydrophobicContact CB-CZ2 4.01Å; H970-W974 HydrophobicContact CB-CZ3 4.09Å; H970-W974 WeakPolarHBondContact O-CB 3.01Å; H970-W974 VanDerWaalsContact O-CD2 3.24Å; H970-W974 VanDerWaalsContact O-CG 3.23Å; H970-W974 PolarHBondContact O-N 2.91Å; H970-L1039 HydrophobicContact CB-CD2 3.59Å
971L88.1Confident86.9Confident0 Ų066.9 Ų66.90%032%0.323CS..Hα-helixtrans-62.5-33.6172.9-77.6170.4000112.6V967 T968 W974 R975 F982 V1042 I1047 V1077V967-L971 HydrophobicContact CG1-CD1 3.96Å; V967-L971 HydrophobicContact CG1-CG 4.38Å; V967-L971 WeakPolarHBondContact O-CB 3.5Å; V967-L971 VanDerWaalsContact O-CG 3.28Å; V967-L971 WeakPolarHBondContact O-CG 2.92Å; V967-L971 PolarHBondContact O-N 2.76Å; T968-L971 PolarHBondContact O-N 3.49Å; L971-W974 HydrophobicContact CD2-CE3 4.36Å; L971-R975 VanDerWaalsContact O-CD 3.31Å; L971-R975 WeakPolarHBondContact O-CD 2.18Å; L971-R975 WeakPolarHBondContact O-CG 2.18Å; L971-F982 HydrophobicContact CB-CZ 4.16Å; L971-F982 HydrophobicContact CD1-CE1 4.26Å; L971-F982 HydrophobicContact CD1-CZ 4.33Å; L971-V1042 HydrophobicContact CD2-CG1 3.91Å; L971-V1042 HydrophobicContact CG-CG1 4.47Å; L971-I1047 HydrophobicContact CD2-CG2 4.48Å; L971-V1077 HydrophobicContact CD1-CG1 4.02Å
972M88.9Confident86.9Confident92 Ų9265.5 Ų65.545%0.45331%0.31SS..Hα-helixtrans-70.3-47.4171-67.7-178.4-179.700111.7T968 E969 H970 W974 R975 F982T968-M972 HydrophobicContact CG2-CE 3.83Å; T968-M972 WeakPolarHBondContact O-CG 3.46Å; T968-M972 PolarHBondContact O-N 3.39Å; E969-M972 PolarHBondContact O-N 2.82Å; H970-M972 VanDerWaalsContact C-N 3.28Å; H970-M972 PolarHBondContact O-N 3.29Å; M972-W974 VanDerWaalsContact C-N 3.32Å; M972-W974 PolarHBondContact O-N 2.69Å; M972-R975 CarbonylContact O-C 3.24Å; M972-R975 PolarHBondContact O-N 2.87Å; M972-F982 HydrophobicContact CE-CD2 3.89Å; M972-F982 HydrophobicContact CE-CE2 3.59Å; M972-F982 HydrophobicContact CG-CE2 4.12Å
973K87.9Confident87Confident154 Ų15465.2 Ų65.267%0.6731%0.311SS*.Hα-helixtrans-61.9-34.4-178.6-175177.3177.9-178.70113.2E969 H970 R975E969-K973 VanDerWaalsContact O-CB 3.29Å; E969-K973 WeakPolarHBondContact O-CB 3.22Å; E969-K973 PolarHBondContact O-N 2.96Å; H970-K973 PolarHBondContact O-N 3.27Å; K973-R975 PolarHBondContact O-N 2.71Å
974W85.7Confident86.8Confident83 Ų8375.8 Ų75.831%0.31435%0.351SS..THydrogen-bonded Turntrans-780.8173.8-61.8-34.6000114H970 L971 M972 P976 L1039 V1042 A1043 C1048H970-W974 HydrophobicContact CB-CD2 4.39Å; H970-W974 HydrophobicContact CB-CE3 4.31Å; H970-W974 HydrophobicContact CB-CH2 3.95Å; H970-W974 HydrophobicContact CB-CZ2 4.01Å; H970-W974 HydrophobicContact CB-CZ3 4.09Å; H970-W974 WeakPolarHBondContact O-CB 3.01Å; H970-W974 VanDerWaalsContact O-CD2 3.24Å; H970-W974 VanDerWaalsContact O-CG 3.23Å; H970-W974 PolarHBondContact O-N 2.91Å; L971-W974 HydrophobicContact CD2-CE3 4.36Å; M972-W974 VanDerWaalsContact C-N 3.32Å; M972-W974 PolarHBondContact O-N 2.69Å; W974-P976 VanDerWaalsContact C-CD 3.42Å; W974-L1039 HydrophobicContact CH2-CB 4.28Å; W974-L1039 HydrophobicContact CH2-CD2 4Å; W974-L1039 WeakPolarHBondContact CH2-O 3.4Å; W974-V1042 HydrophobicContact CH2-CB 4.45Å; W974-V1042 HydrophobicContact CZ3-CB 4.09Å; W974-V1042 HydrophobicContact CZ3-CG1 3.84Å; W974-A1043 HydrophobicContact CH2-CB 3.9Å; W974-A1043 HydrophobicContact CZ2-CB 4.03Å; W974-A1043 HydrophobicContact CZ3-CB 4.4Å; W974-C1048 HydrophobicContact CB-CB 4.08Å
975R84.6Confident86.7Confident14 Ų1477.4 Ų77.45%0.05336%0.36CS..  trans-128.952-177.8-67.2176.154.387.9-5.6112.9L971 M972 K973 E977 S978 T980 C1048 F1050 F1057L971-R975 VanDerWaalsContact O-CD 3.31Å; L971-R975 WeakPolarHBondContact O-CD 2.18Å; L971-R975 WeakPolarHBondContact O-CG 2.18Å; M972-R975 CarbonylContact O-C 3.24Å; M972-R975 PolarHBondContact O-N 2.87Å; K973-R975 PolarHBondContact O-N 2.71Å; R975-E977 PolarHBondContact O-N 2.87Å; R975-E977 VanDerWaalsContact O-N 3.15Å; R975-S978 PolarHBondContact O-N 3.19Å; R975-S978 VanDerWaalsContact O-N 3.1Å; R975-T980 VanDerWaalsContact CD-OG1 3.3Å; R975-T980 WeakPolarHBondContact CD-OG1 3.3Å; R975-T980 PolarHBondContact NE-OG1 2.68Å; R975-C1048 WeakPolarHBondContact CD-O 3.37Å; R975-C1048 HydrophobicContact CG-CB 4.37Å; R975-C1048 WeakPolarHBondContact CG-O 3.44Å; R975-C1048 PolarHBondContact NH1-O 3.3Å; R975-F1050 PolarHBondContact NH1-O 2.77Å; R975-F1050 PolarHBondContact NH2-O 3.4Å; R975-F1057 VanDerWaalsContact CZ-CE2 3.45Å
976P75.1Confident86.6Confident120 Ų12073.9 Ų73.978%0.77934%0.344SS*.THydrogen-bonded Turntrans-60.7-28.9-174.326.4-35.5000113.7W974W974-P976 VanDerWaalsContact C-CD 3.42Å
977E73Confident86.5Confident188 Ų18873.8 Ų73.888%0.87935%0.346SS*.THydrogen-bonded Turntrans-9510-178.9-59.6-178.717400113.5R975R975-E977 PolarHBondContact O-N 2.87Å; R975-E977 VanDerWaalsContact O-N 3.15Å
978S73.5Confident86.4Confident32 Ų3280 Ų8022%0.22438%0.375CS..SBendtrans-151.9118-174-74.10000114R975 T980R975-S978 PolarHBondContact O-N 3.19Å; R975-S978 VanDerWaalsContact O-N 3.1Å; S978-T980 PolarHBondContact O-N 2.83Å; S978-T980 VanDerWaalsContact O-N 3.1Å; S978-T980 PolarHBondContact O-OG1 2.77Å
979L81.1Confident86.3Confident133 Ų13378.5 Ų78.570%0.69637%0.366SS*.  trans-52.7116.6175.7178.764.7000111.4R981L979-R981 HydrophobicContact CD2-CG 4.12Å; L979-R981 HydrophobicContact CG-CG 4.09Å; L979-R981 PolarHBondContact O-N 3.02Å
980T84.4Confident86.3Confident17 Ų1774.4 Ų74.410%0.10435%0.347CS..  trans-94.895-177.9-55.80000109.8R975 S978 F982 F1057R975-T980 VanDerWaalsContact CD-OG1 3.3Å; R975-T980 WeakPolarHBondContact CD-OG1 3.3Å; R975-T980 PolarHBondContact NE-OG1 2.68Å; S978-T980 PolarHBondContact O-N 2.83Å; S978-T980 VanDerWaalsContact O-N 3.1Å; S978-T980 PolarHBondContact O-OG1 2.77Å; T980-F982 HydrophobicContact CG2-CD2 4.21Å; T980-F982 HydrophobicContact CG2-CE2 3.44Å; T980-F982 VanDerWaalsContact CG2-CE2 3.44Å; T980-F982 HydrophobicContact CG2-CZ 3.72Å; T980-F1057 HydrophobicContact CG2-CD2 3.84Å; T980-F1057 HydrophobicContact CG2-CE2 4.33Å; T980-F1057 HydrophobicContact CG2-CG 4.19Å
981R88.2Confident86.4Confident136 Ų13676.1 Ų76.151%0.51335%0.351SS..  trans-83.5130.4178.4-64.4179173164.2-2.1110.2L979 E1056 F1057L979-R981 HydrophobicContact CD2-CG 4.12Å; L979-R981 HydrophobicContact CG-CG 4.09Å; L979-R981 PolarHBondContact O-N 3.02Å; R981-E1056 HydrophobicContact CB-CG 4.42Å; R981-E1056 CarbonylContact O-C 3.52Å; R981-F1057 PolarHBondContact O-N 3.18Å
982F90.5Very high86.4Confident56 Ų5679.7 Ų79.725%0.24637%0.368CS..BIsolated β-bridgetrans-107.3118.4178.5-74.5-90.3000112.5T968 L971 M972 T980 R984 F1057 L1059T968-F982 HydrophobicContact CG2-CD2 4.31Å; T968-F982 HydrophobicContact CG2-CE1 4.41Å; T968-F982 HydrophobicContact CG2-CE2 3.79Å; T968-F982 HydrophobicContact CG2-CZ 3.85Å; L971-F982 HydrophobicContact CB-CZ 4.16Å; L971-F982 HydrophobicContact CD1-CE1 4.26Å; L971-F982 HydrophobicContact CD1-CZ 4.33Å; M972-F982 HydrophobicContact CE-CD2 3.89Å; M972-F982 HydrophobicContact CE-CE2 3.59Å; M972-F982 HydrophobicContact CG-CE2 4.12Å; T980-F982 HydrophobicContact CG2-CD2 4.21Å; T980-F982 HydrophobicContact CG2-CE2 3.44Å; T980-F982 VanDerWaalsContact CG2-CE2 3.44Å; T980-F982 HydrophobicContact CG2-CZ 3.72Å; F982-R984 PolarHBondContact O-N 3.39Å; F982-F1057 CarbonylContact C-O 3.19Å; F982-F1057 VanDerWaalsContact CA-O 3.31Å; F982-F1057 WeakPolarHBondContact CA-O 3.2Å; F982-F1057 HydrophobicContact CD1-CB 4.01Å; F982-F1057 HydrophobicContact CE1-CB 3.98Å; F982-L1059 HydrophobicContact CD1-CB 4.42Å; F982-L1059 HydrophobicContact CE1-CB 4.3Å
983N91.2Very high86.3Confident21 Ų2175.4 Ų75.411%0.11235%0.347CS..  trans-80.295.3174.5-169.9-49.9000110.1F985 A986 G987 E1056 F1057N983-F985 VanDerWaalsContact C-N 3.35Å; N983-F985 PolarHBondContact O-N 2.85Å; N983-F985 PolarHBondContact OD1-N 2.9Å; N983-A986 HydrophobicContact CB-CB 4.12Å; N983-A986 PolarHBondContact O-N 3.28Å; N983-A986 WeakPolarHBondContact OD1-CB 3.07Å; N983-A986 PolarHBondContact OD1-N 3.41Å; N983-G987 PolarHBondContact O-N 3.1Å; N983-G987 VanDerWaalsContact O-N 3.1Å; N983-E1056 HydrophobicContact CB-CB 4.15Å; N983-E1056 PolarHBondContact ND2-OE2 3.39Å; N983-F1057 PolarHBondContact N-O 3.42Å
984R89.8Confident86.4Confident225 Ų22568 Ų6885%0.84932%0.315SS*.Hα-helixtrans-61.9-38.3-177.2-63.8-176.1179.2-170.4-1.3113.1F982 G987 Q988F982-R984 PolarHBondContact O-N 3.39Å; R984-G987 PolarHBondContact O-N 3Å; R984-Q988 PolarHBondContact O-N 3.5Å
985F89.9Confident86.6Confident107 Ų10765.6 Ų65.647%0.46931%0.309SS..Hα-helixtrans-62.9-47.9178.5175.7-106.9000111.3N983 G987 Q988 C989 T1013 L1017N983-F985 VanDerWaalsContact C-N 3.35Å; N983-F985 PolarHBondContact O-N 2.85Å; N983-F985 PolarHBondContact OD1-N 2.9Å; F985-G987 VanDerWaalsContact C-N 3.34Å; F985-G987 PolarHBondContact O-N 2.68Å; F985-Q988 PolarHBondContact O-N 2.8Å; F985-C989 PolarHBondContact O-N 3.27Å; F985-C989 PolarHBondContact O-SG 2.87Å; F985-T1013 HydrophobicContact CZ-CG2 4.42Å; F985-L1017 HydrophobicContact CD1-CD2 3.92Å; F985-L1017 HydrophobicContact CD1-CG 4.42Å; F985-L1017 HydrophobicContact CE1-CD1 4.34Å; F985-L1017 HydrophobicContact CE1-CD2 3.98Å; F985-L1017 HydrophobicContact CE1-CG 4.07Å
986A89.8Confident86.7Confident0 Ų068.8 Ų68.80%032%0.323CS..Hα-helixtrans-59.1-44.117400000112N983 Q988 C989 F990 L1017 A1058 L1080N983-A986 HydrophobicContact CB-CB 4.12Å; N983-A986 PolarHBondContact O-N 3.28Å; N983-A986 WeakPolarHBondContact OD1-CB 3.07Å; N983-A986 PolarHBondContact OD1-N 3.41Å; A986-Q988 VanDerWaalsContact C-N 3.33Å; A986-Q988 PolarHBondContact O-N 2.7Å; A986-C989 PolarHBondContact O-N 2.78Å; A986-F990 HydrophobicContact CB-CD2 4.37Å; A986-F990 HydrophobicContact CB-CE2 4.02Å; A986-F990 WeakPolarHBondContact O-CB 3.38Å; A986-F990 WeakPolarHBondContact O-CD2 3.07Å; A986-F990 WeakPolarHBondContact O-CG 3.27Å; A986-F990 PolarHBondContact O-N 2.69Å; A986-L1017 HydrophobicContact CB-CD1 4.11Å; A986-L1017 HydrophobicContact CB-CD2 4.04Å; A986-A1058 HydrophobicContact CB-CB 3.79Å; A986-L1080 HydrophobicContact CB-CD1 4.37Å; A986-L1080 HydrophobicContact CB-CD2 3.76Å
987G90.5Very high87.2Confident9 Ų964.2 Ų64.29%0.09329%0.292CS..Hα-helixtrans-57.1-41.4174.300000113.6N983 R984 F985 F990 R991 L1059 A1060N983-G987 PolarHBondContact O-N 3.1Å; N983-G987 VanDerWaalsContact O-N 3.1Å; R984-G987 PolarHBondContact O-N 3Å; F985-G987 VanDerWaalsContact C-N 3.34Å; F985-G987 PolarHBondContact O-N 2.68Å; G987-F990 PolarHBondContact O-N 2.7Å; G987-R991 PolarHBondContact O-N 2.73Å; G987-L1059 WeakPolarHBondContact CA-O 3.21Å; G987-A1060 WeakPolarHBondContact O-CB 3.39Å
988Q90.4Very high88Confident130 Ų13056 Ų5661%0.60725%0.254SS*.Hα-helixtrans-67.8-48177.3-175167.4-900112.2R984 F985 A986 F990 R991 E992R984-Q988 PolarHBondContact O-N 3.5Å; F985-Q988 PolarHBondContact O-N 2.8Å; A986-Q988 VanDerWaalsContact C-N 3.33Å; A986-Q988 PolarHBondContact O-N 2.7Å; Q988-F990 PolarHBondContact O-N 2.74Å; Q988-R991 WeakPolarHBondContact O-CB 2.88Å; Q988-R991 PolarHBondContact O-N 2.67Å; Q988-E992 PolarHBondContact O-N 3.34Å; Q988-E992 VanDerWaalsContact O-N 3.11Å
989C89.3Confident88.4Confident2 Ų259.9 Ų59.91%0.01427%0.268CS..Hα-helixtrans-63.8-29.8176.8-570000112.5F985 A986 T1013 V1014 L1017F985-C989 PolarHBondContact O-N 3.27Å; F985-C989 PolarHBondContact O-SG 2.87Å; A986-C989 PolarHBondContact O-N 2.78Å; C989-T1013 VanDerWaalsContact SG-CB 3.58Å; C989-V1014 HydrophobicContact CB-CG2 3.9Å; C989-V1014 WeakPolarHBondContact O-CG2 3.19Å; C989-L1017 HydrophobicContact CB-CD1 3.72Å
990F91.2Very high88Confident0 Ų056.5 Ų56.50%027%0.266CS..Hα-helixtrans-71.9-38.5171.5-70.8-36.1000112.2W682 L684 A986 G987 Q988 E992 V993 L994 I1023 A1058 A1060 L1076W682-F990 HydrophobicContact CH2-CD1 4.11Å; W682-F990 HydrophobicContact CH2-CE1 4.22Å; W682-F990 HydrophobicContact CZ3-CD1 4.13Å; L684-F990 HydrophobicContact CD1-CE1 4.25Å; L684-F990 HydrophobicContact CD1-CE2 4.36Å; L684-F990 HydrophobicContact CD1-CZ 3.9Å; L684-F990 HydrophobicContact CD2-CE1 4.38Å; A986-F990 HydrophobicContact CB-CD2 4.37Å; A986-F990 HydrophobicContact CB-CE2 4.02Å; A986-F990 WeakPolarHBondContact O-CB 3.38Å; A986-F990 WeakPolarHBondContact O-CD2 3.07Å; A986-F990 WeakPolarHBondContact O-CG 3.27Å; A986-F990 PolarHBondContact O-N 2.69Å; G987-F990 PolarHBondContact O-N 2.7Å; Q988-F990 PolarHBondContact O-N 2.74Å; F990-E992 VanDerWaalsContact C-N 3.32Å; F990-E992 PolarHBondContact O-N 2.68Å; F990-V993 PolarHBondContact O-N 3.25Å; F990-L994 WeakPolarHBondContact O-CG 3.22Å; F990-L994 PolarHBondContact O-N 2.97Å; F990-I1023 HydrophobicContact CZ-CD1 4.21Å; F990-I1023 HydrophobicContact CZ-CG2 4.28Å; F990-A1058 HydrophobicContact CD2-CB 3.89Å; F990-A1058 HydrophobicContact CE2-CB 3.73Å; F990-A1060 HydrophobicContact CB-CB 3.66Å; F990-L1076 HydrophobicContact CB-CD1 3.89Å; F990-L1076 HydrophobicContact CB-CD2 3.88Å; F990-L1076 HydrophobicContact CB-CG 4.46Å; F990-L1076 HydrophobicContact CD1-CD1 3.98Å; F990-L1076 HydrophobicContact CD1-CD2 4.25Å; F990-L1076 HydrophobicContact CD2-CD2 3.43Å; F990-L1076 VanDerWaalsContact CD2-CD2 3.43Å; F990-L1076 HydrophobicContact CE2-CD2 3.98Å; F990-L1076 HydrophobicContact CG-CD1 3.91Å; F990-L1076 HydrophobicContact CG-CD2 3.6Å; F990-L1076 HydrophobicContact CG-CG 4.43Å
991R91.9Very high86.6Confident80 Ų8059.8 Ų59.830%0.30229%0.286SS..Hα-helixtrans-59.6-40.5173.6-170-176.3-179.6-82-2.1111.9E960 G987 Q988 V993 L994 V995 A1060E960-R991 VanDerWaalsContact CD-NH2 3.35Å; E960-R991 IonicContact OE1-CZ 2.69Å; E960-R991 IonicContact OE1-NE 2.78Å; E960-R991 PolarHBondContact OE1-NE 3.31Å; E960-R991 IonicContact OE1-NH2 2.73Å; E960-R991 PolarHBondContact OE1-NH2 2.96Å; E960-R991 VanDerWaalsContact OE1-NH2 3.14Å; E960-R991 IonicContact OE2-CZ 3.76Å; E960-R991 IonicContact OE2-NE 2.7Å; E960-R991 PolarHBondContact OE2-NE 3.39Å; E960-R991 IonicContact OE2-NH2 3.94Å; E960-R991 PolarHBondContact OE2-NH2 2.91Å; G987-R991 PolarHBondContact O-N 2.73Å; Q988-R991 WeakPolarHBondContact O-CB 2.88Å; Q988-R991 PolarHBondContact O-N 2.67Å; R991-V993 PolarHBondContact O-N 2.77Å; R991-L994 PolarHBondContact O-N 3.37Å; R991-L994 VanDerWaalsContact O-N 3.13Å; R991-V995 WeakPolarHBondContact O-CG2 3.07Å; R991-V995 PolarHBondContact O-N 3.03Å; R991-V995 VanDerWaalsContact O-N 3.1Å; R991-A1060 HydrophobicContact CB-CB 4.34Å
992E87.4Confident85Confident75 Ų7554.1 Ų54.135%0.3527%0.266SS..Hα-helixtrans-56.8-33.5173.7-69.2168.2-151.100113.1Q988 F990 K996Q988-E992 PolarHBondContact O-N 3.34Å; Q988-E992 VanDerWaalsContact O-N 3.11Å; F990-E992 VanDerWaalsContact C-N 3.32Å; F990-E992 PolarHBondContact O-N 2.68Å; E992-K996 WeakPolarHBondContact O-CG 3.44Å
993V87.3Confident83.3Confident1 Ų155.5 Ų55.51%0.00628%0.276CS..Hα-helixtrans-78.3-39.4175.4-1790000111.1W682 F990 R991 V995 K996 L997 F1010 P1011 V1014W682-V993 HydrophobicContact CE3-CG1 4.01Å; W682-V993 HydrophobicContact CH2-CB 4.39Å; W682-V993 HydrophobicContact CH2-CG1 4.04Å; W682-V993 HydrophobicContact CH2-CG2 4.26Å; W682-V993 HydrophobicContact CZ3-CB 3.92Å; W682-V993 HydrophobicContact CZ3-CG1 3.55Å; W682-V993 HydrophobicContact CZ3-CG2 4.28Å; F990-V993 PolarHBondContact O-N 3.25Å; R991-V993 PolarHBondContact O-N 2.77Å; V993-V995 VanDerWaalsContact C-N 3.33Å; V993-V995 PolarHBondContact O-N 3.34Å; V993-K996 PolarHBondContact O-N 2.69Å; V993-K996 VanDerWaalsContact O-N 3.17Å; V993-L997 HydrophobicContact CG1-CD1 3.92Å; V993-L997 HydrophobicContact CG1-CG 4.11Å; V993-L997 VanDerWaalsContact O-CG 3.31Å; V993-L997 WeakPolarHBondContact O-CG 3.47Å; V993-L997 PolarHBondContact O-N 2.97Å; V993-F1010 HydrophobicContact CG1-CD1 4.35Å; V993-F1010 HydrophobicContact CG1-CE1 4.15Å; V993-F1010 HydrophobicContact CG2-CD1 4.27Å; V993-P1011 HydrophobicContact CG2-CG 4.14Å; V993-V1014 HydrophobicContact CG2-CG2 3.85Å
994L90.5Very high81.8Confident0 Ų056.8 Ų56.80%028%0.283CS..Hα-helixtrans-59.5-41.3178.2-65.2-175.5000112.6F990 R991 K996 L997 E998 A1027 A1060 Y1062 W1074 L1076F990-L994 WeakPolarHBondContact O-CG 3.22Å; F990-L994 PolarHBondContact O-N 2.97Å; R991-L994 PolarHBondContact O-N 3.37Å; R991-L994 VanDerWaalsContact O-N 3.13Å; L994-K996 PolarHBondContact O-N 2.86Å; L994-L997 HydrophobicContact CD2-CD1 4.43Å; L994-L997 PolarHBondContact O-N 3.3Å; L994-E998 PolarHBondContact O-N 3.1Å; L994-E998 VanDerWaalsContact O-N 3.12Å; L994-A1027 HydrophobicContact CD2-CB 4.21Å; L994-A1060 HydrophobicContact CD1-CB 3.76Å; L994-Y1062 HydrophobicContact CB-CD1 4.45Å; L994-W1074 HydrophobicContact CB-CB 4.12Å; L994-W1074 HydrophobicContact CB-CG 4.49Å; L994-W1074 HydrophobicContact CD1-CB 3.91Å; L994-W1074 HydrophobicContact CD2-CB 4Å; L994-W1074 HydrophobicContact CD2-CD2 4.32Å; L994-W1074 HydrophobicContact CD2-CE3 3.86Å; L994-W1074 HydrophobicContact CD2-CG 4.43Å; L994-W1074 HydrophobicContact CG-CB 4.22Å; L994-L1076 HydrophobicContact CD1-CB 4.17Å; L994-L1076 HydrophobicContact CD2-CB 4.1Å; L994-L1076 HydrophobicContact CD2-CD1 4.34Å; L994-L1076 HydrophobicContact CG-CB 4.48Å
995V89.7Confident80Confident32 Ų3249.4 Ų49.419%0.19427%0.266CS..Hα-helixtrans-58.5-48.4174.3176.60000110.7R991 V993 L997 E998 E999 Y1062R991-V995 WeakPolarHBondContact O-CG2 3.07Å; R991-V995 PolarHBondContact O-N 3.03Å; R991-V995 VanDerWaalsContact O-N 3.1Å; V993-V995 VanDerWaalsContact C-N 3.33Å; V993-V995 PolarHBondContact O-N 3.34Å; V995-L997 VanDerWaalsContact C-N 3.27Å; V995-L997 PolarHBondContact O-N 3Å; V995-E998 WeakPolarHBondContact O-CB 3.16Å; V995-E998 PolarHBondContact O-N 3.19Å; V995-E998 VanDerWaalsContact O-N 3.11Å; V995-E999 WeakPolarHBondContact O-CG 3.33Å; V995-E999 PolarHBondContact O-N 3.34Å; V995-Y1062 HydrophobicContact CB-CE1 4.4Å; V995-Y1062 HydrophobicContact CG2-CD1 4.08Å; V995-Y1062 HydrophobicContact CG2-CD2 3.8Å; V995-Y1062 HydrophobicContact CG2-CE1 4.12Å; V995-Y1062 HydrophobicContact CG2-CE2 3.89Å; V995-Y1062 HydrophobicContact CG2-CG 3.93Å
996K85.8Confident78.2Confident80 Ų8046.6 Ų46.635%0.34826%0.259SS..Hα-helixtrans-68.6-22.1179.7-66.9-179.2-179-175.20114.4E992 V993 L994 G1000 T1001 V1002E992-K996 WeakPolarHBondContact O-CG 3.44Å; V993-K996 PolarHBondContact O-N 2.69Å; V993-K996 VanDerWaalsContact O-N 3.17Å; L994-K996 PolarHBondContact O-N 2.86Å; K996-G1000 PolarHBondContact O-N 3.11Å; K996-T1001 WeakPolarHBondContact CA-OG1 3.08Å; K996-T1001 WeakPolarHBondContact CB-OG1 2.9Å; K996-T1001 PolarHBondContact O-N 2.85Å; K996-T1001 PolarHBondContact O-OG1 3.49Å; K996-V1002 HydrophobicContact CB-CB 4.33Å; K996-V1002 HydrophobicContact CB-CG2 3.67Å; K996-V1002 HydrophobicContact CD-CG2 4.03Å; K996-V1002 HydrophobicContact CG-CG2 4.45Å
997L85.5Confident76.5Confident24 Ų2450.6 Ų50.613%0.12628%0.284CS..Hα-helixtrans-78.7-28.5172.6-70.1173.9000112.5V993 L994 V995 V1002 L1004 W1074V993-L997 HydrophobicContact CG1-CD1 3.92Å; V993-L997 HydrophobicContact CG1-CG 4.11Å; V993-L997 VanDerWaalsContact O-CG 3.31Å; V993-L997 WeakPolarHBondContact O-CG 3.47Å; V993-L997 PolarHBondContact O-N 2.97Å; L994-L997 HydrophobicContact CD2-CD1 4.43Å; L994-L997 PolarHBondContact O-N 3.3Å; V995-L997 VanDerWaalsContact C-N 3.27Å; V995-L997 PolarHBondContact O-N 3Å; L997-V1002 HydrophobicContact CD2-CB 4.37Å; L997-V1002 HydrophobicContact CD2-CG1 4.33Å; L997-L1004 HydrophobicContact CD1-CD1 4.3Å; L997-L1004 HydrophobicContact CD1-CD2 4.39Å; L997-L1004 HydrophobicContact CD2-CD1 3.75Å; L997-L1004 HydrophobicContact CD2-CD2 3.87Å; L997-L1004 HydrophobicContact CD2-CG 3.67Å; L997-W1074 HydrophobicContact CB-CE3 4.46Å; L997-W1074 HydrophobicContact CB-CH2 3.6Å; L997-W1074 HydrophobicContact CB-CZ2 3.8Å; L997-W1074 HydrophobicContact CB-CZ3 3.95Å; L997-W1074 HydrophobicContact CD1-CE3 4.43Å; L997-W1074 HydrophobicContact CD1-CH2 4.3Å; L997-W1074 HydrophobicContact CD1-CZ3 3.89Å; L997-W1074 HydrophobicContact CG-CH2 4.48Å
998E89.3Confident74.5Confident15 Ų1553.2 Ų53.27%0.0731%0.305CS..Hα-helixtrans-71-46.4169.3-175.160.9-119.700111.4R793 L994 V995 G1000 Y1062 H1064 Y1066 S1072 W1074R793-E998 IonicContact CZ-OE1 3.78Å; R793-E998 IonicContact CZ-OE2 3.34Å; R793-E998 IonicContact NH1-OE1 2.65Å; R793-E998 PolarHBondContact NH1-OE1 2.92Å; R793-E998 IonicContact NH2-OE1 2.71Å; R793-E998 PolarHBondContact NH2-OE1 3.17Å; R793-E998 IonicContact NH2-OE2 2.68Å; R793-E998 PolarHBondContact NH2-OE2 2.66Å; L994-E998 PolarHBondContact O-N 3.1Å; L994-E998 VanDerWaalsContact O-N 3.12Å; V995-E998 WeakPolarHBondContact O-CB 3.16Å; V995-E998 PolarHBondContact O-N 3.19Å; V995-E998 VanDerWaalsContact O-N 3.11Å; E998-G1000 PolarHBondContact O-N 3.01Å; E998-G1000 VanDerWaalsContact O-N 3.15Å; E998-Y1062 HydrophobicContact CB-CD1 4.33Å; E998-Y1062 HydrophobicContact CB-CE1 3.7Å; E998-Y1062 HydrophobicContact CG-CE1 3.92Å; E998-H1064 HydrophobicContact CG-CB 3.72Å; E998-Y1066 PolarHBondContact OE1-OH 3.23Å; E998-S1072 VanDerWaalsContact OE2-CB 3.3Å; E998-S1072 WeakPolarHBondContact OE2-CB 3.49Å; E998-S1072 PolarHBondContact OE2-OG 3.12Å; E998-W1074 PolarHBondContact OE2-NE1 3.21Å
999E82.5Confident72.7Confident115 Ų11551.3 Ų51.354%0.53730%0.298SS..THydrogen-bonded Turntrans-61.7-18.2173.9-63.9168.4178.500113.6V995 T1001V995-E999 WeakPolarHBondContact O-CG 3.33Å; V995-E999 PolarHBondContact O-N 3.34Å; E999-T1001 HydrophobicContact CB-CG2 3.72Å; E999-T1001 PolarHBondContact O-N 3.27Å; E999-T1001 WeakPolarHBondContact OE2-CG2 3.21Å; E999-T1001 PolarHBondContact OE2-OG1 2.87Å
1000G73.2Confident71.6Confident62 Ų6251.8 Ų51.864%0.63930%0.3SS*.THydrogen-bonded Turntrans70.515.5-171.800000114.5K996 E998K996-G1000 PolarHBondContact O-N 3.11Å; E998-G1000 PolarHBondContact O-N 3.01Å; E998-G1000 VanDerWaalsContact O-N 3.15Å
1001T54.2Low70.6Confident85 Ų8552.7 Ų52.752%0.52131%0.306SS..  trans-83.1-8-173.653.90000114.2K996 E999K996-T1001 WeakPolarHBondContact CA-OG1 3.08Å; K996-T1001 WeakPolarHBondContact CB-OG1 2.9Å; K996-T1001 PolarHBondContact O-N 2.85Å; K996-T1001 PolarHBondContact O-OG1 3.49Å; E999-T1001 HydrophobicContact CB-CG2 3.72Å; E999-T1001 PolarHBondContact O-N 3.27Å; E999-T1001 WeakPolarHBondContact OE2-CG2 3.21Å; E999-T1001 PolarHBondContact OE2-OG1 2.87Å
1002V55.5Low69.6Low17 Ų1751.5 Ų51.510%0.10332%0.318CS..  trans-121.4115.8-179.7167.50000112.1K996 L997 L1004 L1009 F1010K996-V1002 HydrophobicContact CB-CB 4.33Å; K996-V1002 HydrophobicContact CB-CG2 3.67Å; K996-V1002 HydrophobicContact CD-CG2 4.03Å; K996-V1002 HydrophobicContact CG-CG2 4.45Å; L997-V1002 HydrophobicContact CD2-CB 4.37Å; L997-V1002 HydrophobicContact CD2-CG1 4.33Å; V1002-L1004 HydrophobicContact CG1-CD2 4.26Å; V1002-L1004 PolarHBondContact O-N 2.77Å; V1002-L1009 HydrophobicContact CG1-CB 4.43Å; V1002-F1010 HydrophobicContact CG1-CE1 4.47Å
1003D55.2Low68.9Low86 Ų8650.3 Ų50.346%0.4632%0.316SS..  trans-79110.1162.217527.6000110.6S1005 S1006 L1009D1003-S1005 PolarHBondContact O-N 2.77Å; D1003-S1005 VanDerWaalsContact O-N 3.15Å; D1003-S1005 VanDerWaalsContact OD1-CB 3.24Å; D1003-S1005 WeakPolarHBondContact OD1-CB 3.33Å; D1003-S1005 PolarHBondContact OD1-N 2.88Å; D1003-S1005 PolarHBondContact OD1-OG 2.6Å; D1003-S1005 WeakPolarHBondContact OD2-CB 3.26Å; D1003-S1005 PolarHBondContact OD2-OG 2.66Å; D1003-S1006 PolarHBondContact O-N 3.46Å; D1003-L1009 HydrophobicContact CB-CD1 4.02Å
1004L59.9Low68.5Low48 Ų4850.2 Ų50.225%0.25132%0.316SS..THydrogen-bonded Turntrans-62.9-13.9174.6-66.5173.1000113.8K681 W682 L997 V1002 S1006 F1010K681-L1004 WeakPolarHBondContact O-CD1 3.42Å; W682-L1004 HydrophobicContact CB-CD1 3.73Å; W682-L1004 HydrophobicContact CB-CD2 4.37Å; W682-L1004 HydrophobicContact CD2-CD2 3.95Å; W682-L1004 HydrophobicContact CG-CD1 4.05Å; W682-L1004 HydrophobicContact CG-CD2 3.84Å; L997-L1004 HydrophobicContact CD1-CD1 4.3Å; L997-L1004 HydrophobicContact CD1-CD2 4.39Å; L997-L1004 HydrophobicContact CD2-CD1 3.75Å; L997-L1004 HydrophobicContact CD2-CD2 3.87Å; L997-L1004 HydrophobicContact CD2-CG 3.67Å; V1002-L1004 HydrophobicContact CG1-CD2 4.26Å; V1002-L1004 PolarHBondContact O-N 2.77Å; L1004-S1006 PolarHBondContact O-N 3.28Å; L1004-F1010 HydrophobicContact CD2-CE1 3.56Å; L1004-F1010 HydrophobicContact CD2-CZ 3.63Å
1005S51.9Low67.9Low70 Ų7054.6 Ų54.649%0.4934%0.335SS..THydrogen-bonded Turntrans-72.7-9.7176.1106.10000113.7K690 D1003K690-S1005 PolarHBondContact NZ-OG 2.89Å; D1003-S1005 PolarHBondContact O-N 2.77Å; D1003-S1005 VanDerWaalsContact O-N 3.15Å; D1003-S1005 VanDerWaalsContact OD1-CB 3.24Å; D1003-S1005 WeakPolarHBondContact OD1-CB 3.33Å; D1003-S1005 PolarHBondContact OD1-N 2.88Å; D1003-S1005 PolarHBondContact OD1-OG 2.6Å; D1003-S1005 WeakPolarHBondContact OD2-CB 3.26Å; D1003-S1005 PolarHBondContact OD2-OG 2.66Å
1006S51.8Low67.5Low48 Ų4856 Ų5634%0.33635%0.346SS..  trans-128.7111.2174.6-172.20000112.6D1003 L1004 A1008 L1009D1003-S1006 PolarHBondContact O-N 3.46Å; L1004-S1006 PolarHBondContact O-N 3.28Å; S1006-A1008 PolarHBondContact O-N 2.79Å; S1006-A1008 WeakPolarHBondContact OG-CB 3.16Å; S1006-L1009 PolarHBondContact O-N 3.14Å; S1006-L1009 VanDerWaalsContact O-N 3.16Å
1007T53.3Low67.4Low83 Ų8352.3 Ų52.351%0.50933%0.33SS..G310 helixtrans-59.7-13.8173.446.20000113.7L1009 F1010 K1015T1007-L1009 PolarHBondContact O-N 3.43Å; T1007-F1010 HydrophobicContact CG2-CD2 4.12Å; T1007-F1010 HydrophobicContact CG2-CE2 3.9Å; T1007-F1010 PolarHBondContact O-N 2.8Å; T1007-K1015 WeakPolarHBondContact O-CE 3.09Å
1008A48Very low67.2Low65 Ų6553.8 Ų53.854%0.53734%0.335SS..G310 helixtrans-61.3-30.8174.700000112.9S1006 K1015S1006-A1008 PolarHBondContact O-N 2.79Å; S1006-A1008 WeakPolarHBondContact OG-CB 3.16Å; A1008-K1015 PolarHBondContact O-NZ 3.26Å
1009L53.4Low66.8Low89 Ų8957 Ų5747%0.46636%0.36SS..G310 helixtrans-83.3-10.5-176.6-63.6178.1000114.4V1002 D1003 S1006 T1007V1002-L1009 HydrophobicContact CG1-CB 4.43Å; D1003-L1009 HydrophobicContact CB-CD1 4.02Å; S1006-L1009 PolarHBondContact O-N 3.14Å; S1006-L1009 VanDerWaalsContact O-N 3.16Å; T1007-L1009 PolarHBondContact O-N 3.43Å
1010F66.1Low66.9Low13 Ų1354.2 Ų54.26%0.05735%0.353CS..SBendtrans-66.4144.3176.9-69.1-53.1000112.2W682 V993 V1002 L1004 T1007 V1014 K1015W682-F1010 HydrophobicContact CD2-CE1 4.5Å; W682-F1010 AromaticContact CE2-CE1 3.75Å; W682-F1010 AromaticContact CE2-CZ 3.53Å; W682-F1010 HydrophobicContact CH2-CD1 4.26Å; W682-F1010 AromaticContact CH2-CE1 3.8Å; W682-F1010 HydrophobicContact CH2-CE1 3.8Å; W682-F1010 HydrophobicContact CH2-CZ 4.29Å; W682-F1010 HydrophobicContact CZ2-CD1 4.08Å; W682-F1010 AromaticContact CZ2-CE1 3.35Å; W682-F1010 HydrophobicContact CZ2-CE1 3.35Å; W682-F1010 HydrophobicContact CZ2-CE2 4.09Å; W682-F1010 AromaticContact CZ2-CZ 3.38Å; W682-F1010 HydrophobicContact CZ2-CZ 3.38Å; W682-F1010 AromaticContact NE1-CZ 3.56Å; V993-F1010 HydrophobicContact CG1-CD1 4.35Å; V993-F1010 HydrophobicContact CG1-CE1 4.15Å; V993-F1010 HydrophobicContact CG2-CD1 4.27Å; V1002-F1010 HydrophobicContact CG1-CE1 4.47Å; L1004-F1010 HydrophobicContact CD2-CE1 3.56Å; L1004-F1010 HydrophobicContact CD2-CZ 3.63Å; T1007-F1010 HydrophobicContact CG2-CD2 4.12Å; T1007-F1010 HydrophobicContact CG2-CE2 3.9Å; T1007-F1010 PolarHBondContact O-N 2.8Å; F1010-V1014 HydrophobicContact CB-CB 4.27Å; F1010-V1014 HydrophobicContact CB-CG1 4.09Å; F1010-V1014 HydrophobicContact CD1-CG1 4.38Å; F1010-V1014 HydrophobicContact CG-CG1 4.19Å; F1010-K1015 HydrophobicContact CB-CG 4.38Å; F1010-K1015 WeakPolarHBondContact O-CE 3.47Å; F1010-K1015 PolarHBondContact O-NZ 2.74Å
1011P69.3Low67.4Low18 Ų1853.1 Ų53.112%0.11733%0.33CS..  trans-49.6147169.3-27.635.5000112.5V993 T1013 V1014 K1015V993-P1011 HydrophobicContact CG2-CG 4.14Å; P1011-T1013 WeakPolarHBondContact CB-OG1 3.41Å; P1011-T1013 PolarHBondContact O-N 2.68Å; P1011-V1014 HydrophobicContact CB-CG2 4.2Å; P1011-V1014 HydrophobicContact CG-CG2 4.27Å; P1011-V1014 PolarHBondContact O-N 2.84Å; P1011-K1015 PolarHBondContact O-N 3.02Å; P1011-K1015 VanDerWaalsContact O-N 3.11Å
1012G70.9Confident68.8Low55 Ų5552.5 Ų52.557%0.56732%0.32SS*.Hα-helixtrans-58.5-33.9178.900000113K1015 S1016G1012-K1015 PolarHBondContact O-N 2.7Å; G1012-S1016 PolarHBondContact O-N 2.87Å
1013T73.8Confident70.3Confident50 Ų5051.7 Ų51.731%0.30732%0.315SS..Hα-helixtrans-57.3-45.6171.748.60000112.7F985 C989 P1011 S1016 L1017F985-T1013 HydrophobicContact CZ-CG2 4.42Å; C989-T1013 VanDerWaalsContact SG-CB 3.58Å; P1011-T1013 WeakPolarHBondContact CB-OG1 3.41Å; P1011-T1013 PolarHBondContact O-N 2.68Å; T1013-S1016 WeakPolarHBondContact O-CB 3.29Å; T1013-S1016 PolarHBondContact O-N 2.87Å; T1013-L1017 WeakPolarHBondContact O-CG 3.28Å; T1013-L1017 PolarHBondContact O-N 2.87Å
1014V79.3Confident71.8Confident0 Ų048 Ų480%030%0.295CS..Hα-helixtrans-68.6-37.6177.5175.10000111.7W682 C989 V993 F1010 P1011 L1017 F1018W682-V1014 HydrophobicContact CH2-CG1 4.21Å; C989-V1014 HydrophobicContact CB-CG2 3.9Å; C989-V1014 WeakPolarHBondContact O-CG2 3.19Å; V993-V1014 HydrophobicContact CG2-CG2 3.85Å; F1010-V1014 HydrophobicContact CB-CB 4.27Å; F1010-V1014 HydrophobicContact CB-CG1 4.09Å; F1010-V1014 HydrophobicContact CD1-CG1 4.38Å; F1010-V1014 HydrophobicContact CG-CG1 4.19Å; P1011-V1014 HydrophobicContact CB-CG2 4.2Å; P1011-V1014 HydrophobicContact CG-CG2 4.27Å; P1011-V1014 PolarHBondContact O-N 2.84Å; V1014-L1017 WeakPolarHBondContact O-CB 3.22Å; V1014-L1017 PolarHBondContact O-N 2.73Å; V1014-F1018 HydrophobicContact CG1-CD2 3.91Å; V1014-F1018 HydrophobicContact CG1-CE2 3.63Å; V1014-F1018 VanDerWaalsContact O-CD2 3.24Å; V1014-F1018 WeakPolarHBondContact O-CD2 3.31Å; V1014-F1018 PolarHBondContact O-N 2.88Å; V1014-F1018 VanDerWaalsContact O-N 3.13Å
1015K77.9Confident73.2Confident92 Ų9245.7 Ų45.740%0.428%0.283SS..Hα-helixtrans-63.4-42.3173.5-68.8167178.2145.80111.6T1007 A1008 F1010 P1011 G1012 F1018 S1019T1007-K1015 WeakPolarHBondContact O-CE 3.09Å; A1008-K1015 PolarHBondContact O-NZ 3.26Å; F1010-K1015 HydrophobicContact CB-CG 4.38Å; F1010-K1015 WeakPolarHBondContact O-CE 3.47Å; F1010-K1015 PolarHBondContact O-NZ 2.74Å; P1011-K1015 PolarHBondContact O-N 3.02Å; P1011-K1015 VanDerWaalsContact O-N 3.11Å; G1012-K1015 PolarHBondContact O-N 2.7Å; K1015-F1018 PolarHBondContact O-N 2.78Å; K1015-S1019 PolarHBondContact O-N 2.89Å; K1015-S1019 VanDerWaalsContact O-N 3.12Å
1016S80.8Confident75.1Confident60 Ų6042.3 Ų42.342%0.4226%0.259SS..Hα-helixtrans-57.8-46.7173.31770000111.7G1012 T1013 F1018 S1019 S1020G1012-S1016 PolarHBondContact O-N 2.87Å; T1013-S1016 WeakPolarHBondContact O-CB 3.29Å; T1013-S1016 PolarHBondContact O-N 2.87Å; S1016-F1018 PolarHBondContact O-N 3.47Å; S1016-S1019 PolarHBondContact O-N 3.3Å; S1016-S1019 PolarHBondContact O-OG 2.97Å; S1016-S1020 PolarHBondContact O-N 3.41Å; S1016-S1020 VanDerWaalsContact O-N 3.1Å; S1016-S1020 PolarHBondContact O-OG 2.81Å
1017L84.1Confident77Confident4 Ų440 Ų402%0.02124%0.243CC..Hα-helixtrans-56.3-47.4175.4-75.1166.4000113F985 A986 C989 T1013 V1014 S1019 S1020 Y1021 I1023 L1080F985-L1017 HydrophobicContact CD1-CD2 3.92Å; F985-L1017 HydrophobicContact CD1-CG 4.42Å; F985-L1017 HydrophobicContact CE1-CD1 4.34Å; F985-L1017 HydrophobicContact CE1-CD2 3.98Å; F985-L1017 HydrophobicContact CE1-CG 4.07Å; A986-L1017 HydrophobicContact CB-CD1 4.11Å; A986-L1017 HydrophobicContact CB-CD2 4.04Å; C989-L1017 HydrophobicContact CB-CD1 3.72Å; T1013-L1017 WeakPolarHBondContact O-CG 3.28Å; T1013-L1017 PolarHBondContact O-N 2.87Å; V1014-L1017 WeakPolarHBondContact O-CB 3.22Å; V1014-L1017 PolarHBondContact O-N 2.73Å; L1017-S1019 VanDerWaalsContact C-N 3.26Å; L1017-S1019 PolarHBondContact O-N 3.39Å; L1017-S1020 PolarHBondContact O-N 3.39Å; L1017-Y1021 HydrophobicContact CD2-CD2 4.19Å; L1017-Y1021 HydrophobicContact CD2-CE2 4.17Å; L1017-Y1021 PolarHBondContact O-N 3.11Å; L1017-I1023 HydrophobicContact CB-CD1 4.01Å; L1017-L1080 HydrophobicContact CD2-CD2 4.42Å
1018F80.7Confident78.8Confident54 Ų5436.8 Ų36.824%0.23722%0.223CC..Hα-helixtrans-66.5-23.3177.1-77.1-66000114W682 L684 N685 V1014 K1015 S1016 I1023W682-F1018 HydrophobicContact CZ2-CE2 4.06Å; W682-F1018 HydrophobicContact CZ2-CZ 4.09Å; L684-F1018 HydrophobicContact CB-CE1 4.34Å; L684-F1018 HydrophobicContact CB-CZ 4.33Å; L684-F1018 HydrophobicContact CD2-CZ 4.34Å; N685-F1018 HydrophobicContact CB-CD1 4.39Å; N685-F1018 HydrophobicContact CB-CE1 4.02Å; V1014-F1018 HydrophobicContact CG1-CD2 3.91Å; V1014-F1018 HydrophobicContact CG1-CE2 3.63Å; V1014-F1018 VanDerWaalsContact O-CD2 3.24Å; V1014-F1018 WeakPolarHBondContact O-CD2 3.31Å; V1014-F1018 PolarHBondContact O-N 2.88Å; V1014-F1018 VanDerWaalsContact O-N 3.13Å; K1015-F1018 PolarHBondContact O-N 2.78Å; S1016-F1018 PolarHBondContact O-N 3.47Å; F1018-I1023 HydrophobicContact CD1-CB 4.13Å; F1018-I1023 HydrophobicContact CD1-CD1 3.97Å; F1018-I1023 HydrophobicContact CD1-CG1 4.21Å; F1018-I1023 HydrophobicContact CE1-CB 3.91Å; F1018-I1023 HydrophobicContact CE1-CD1 4.12Å; F1018-I1023 HydrophobicContact CE1-CG1 4.38Å; F1018-I1023 HydrophobicContact CE1-CG2 4.29Å; F1018-I1023 HydrophobicContact CG-CD1 4.4Å
1019S81.5Confident80.9Confident84 Ų8434.7 Ų34.759%0.58720%0.202SC*.Hα-helixtrans-82.7-21.2174.470.20000114K1015 S1016 L1017K1015-S1019 PolarHBondContact O-N 2.89Å; K1015-S1019 VanDerWaalsContact O-N 3.12Å; S1016-S1019 PolarHBondContact O-N 3.3Å; S1016-S1019 PolarHBondContact O-OG 2.97Å; L1017-S1019 VanDerWaalsContact C-N 3.26Å; L1017-S1019 PolarHBondContact O-N 3.39Å
1020S83.4Confident82.6Confident55 Ų5532.7 Ų32.739%0.38519%0.191SC..Hα-helixtrans-102.9-22.1-178.2-52.80000114.3S1016 L1017 I1083S1016-S1020 PolarHBondContact O-N 3.41Å; S1016-S1020 VanDerWaalsContact O-N 3.1Å; S1016-S1020 PolarHBondContact O-OG 2.81Å; L1017-S1020 PolarHBondContact O-N 3.39Å; S1020-I1083 PolarHBondContact O-N 3.15Å
1021Y84Confident83.7Confident40 Ų4032.8 Ų32.816%0.15720%0.195CC..EExtended strand (participates in β ladder)trans-129.9139.2-175.9-62.4-99.2000111.7L1017 I1023 L1080 T1081 K1082L1017-Y1021 HydrophobicContact CD2-CD2 4.19Å; L1017-Y1021 HydrophobicContact CD2-CE2 4.17Å; L1017-Y1021 PolarHBondContact O-N 3.11Å; Y1021-I1023 PolarHBondContact O-N 3.26Å; Y1021-I1023 VanDerWaalsContact O-N 3.1Å; Y1021-L1080 HydrophobicContact CD1-CB 3.73Å; Y1021-L1080 HydrophobicContact CD1-CD2 4.14Å; Y1021-L1080 HydrophobicContact CD2-CD2 4.29Å; Y1021-L1080 HydrophobicContact CE1-CB 4.42Å; Y1021-L1080 HydrophobicContact CG-CB 4.17Å; Y1021-L1080 HydrophobicContact CG-CD2 3.97Å; Y1021-T1081 CarbonylContact C-O 3.52Å; Y1021-T1081 WeakPolarHBondContact CA-O 3.37Å; Y1021-K1082 HydrophobicContact CD1-CB 4.5Å; Y1021-K1082 HydrophobicContact CD1-CG 3.71Å; Y1021-K1082 HydrophobicContact CE1-CD 4.13Å; Y1021-K1082 HydrophobicContact CE1-CG 3.33Å; Y1021-K1082 WeakPolarHBondContact OH-CE 3.1Å
1022K84.4Confident84.5Confident71 Ų7132.7 Ų32.731%0.30919%0.193SC..EExtended strand (participates in β ladder)trans-72.198.7158.2-177.4-170.7178.6-167.50106.7R554 E631 T1081R554-K1022 VanDerWaalsContact NH2-CE 3.34Å; E631-K1022 IonicContact OE2-NZ 2.73Å; K1022-T1081 PolarHBondContact N-O 2.69Å; K1022-T1081 PolarHBondContact O-N 3.21Å
1023I87.1Confident84.8Confident0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-93.6134179.5-51-172.8000109.7L684 N685 F990 L1017 F1018 Y1021 L1080L684-I1023 HydrophobicContact CB-CG2 3.97Å; L684-I1023 HydrophobicContact CD1-CG2 3.63Å; L684-I1023 HydrophobicContact CG-CG2 4.43Å; N685-I1023 WeakPolarHBondContact CB-O 3.34Å; F990-I1023 HydrophobicContact CZ-CD1 4.21Å; F990-I1023 HydrophobicContact CZ-CG2 4.28Å; L1017-I1023 HydrophobicContact CB-CD1 4.01Å; F1018-I1023 HydrophobicContact CD1-CB 4.13Å; F1018-I1023 HydrophobicContact CD1-CD1 3.97Å; F1018-I1023 HydrophobicContact CD1-CG1 4.21Å; F1018-I1023 HydrophobicContact CE1-CB 3.91Å; F1018-I1023 HydrophobicContact CE1-CD1 4.12Å; F1018-I1023 HydrophobicContact CE1-CG1 4.38Å; F1018-I1023 HydrophobicContact CE1-CG2 4.29Å; F1018-I1023 HydrophobicContact CG-CD1 4.4Å; Y1021-I1023 PolarHBondContact O-N 3.26Å; Y1021-I1023 VanDerWaalsContact O-N 3.1Å; I1023-L1080 HydrophobicContact CD1-CD2 3.9Å; I1023-L1080 HydrophobicContact CD1-CG 4.26Å; I1023-L1080 HydrophobicContact CG1-CD2 4.12Å; I1023-L1080 HydrophobicContact CG1-CG 4.03Å; I1023-L1080 HydrophobicContact CG2-CG 4.35Å
1024F87Confident85.1Confident8 Ų829 Ų294%0.03516%0.161CC..EExtended strand (participates in β ladder)trans-119.3156158168.6-113.8000108.6R653 Y686 I1047 F1050 G1078 C1079R653-F1024 VanDerWaalsContact CA-CZ 3.48Å; R653-F1024 HydrophobicContact CB-CD1 4.46Å; R653-F1024 HydrophobicContact CB-CD2 3.9Å; R653-F1024 HydrophobicContact CB-CE1 4.08Å; R653-F1024 HydrophobicContact CB-CE2 3.49Å; R653-F1024 VanDerWaalsContact CB-CE2 3.49Å; R653-F1024 HydrophobicContact CB-CG 4.39Å; R653-F1024 HydrophobicContact CB-CZ 3.6Å; R653-F1024 HydrophobicContact CG-CD1 3.84Å; R653-F1024 HydrophobicContact CG-CD2 3.79Å; R653-F1024 HydrophobicContact CG-CE1 3.86Å; R653-F1024 HydrophobicContact CG-CE2 3.85Å; R653-F1024 HydrophobicContact CG-CG 3.82Å; R653-F1024 HydrophobicContact CG-CZ 3.9Å; Y686-F1024 AromaticContact CE2-CD2 3.96Å; Y686-F1024 HydrophobicContact CE2-CD2 3.96Å; Y686-F1024 HydrophobicContact CE2-CE2 4.14Å; F1024-I1047 HydrophobicContact CD1-CD1 4.3Å; F1024-I1047 HydrophobicContact CE1-CD1 3.95Å; F1024-I1047 HydrophobicContact CE1-CG1 4.15Å; F1024-F1050 HydrophobicContact CD1-CE2 4.14Å; F1024-F1050 AromaticContact CD1-CZ 3.93Å; F1024-F1050 HydrophobicContact CD1-CZ 3.93Å; F1024-F1050 HydrophobicContact CE1-CE2 4.19Å; F1024-F1050 HydrophobicContact CE1-CZ 4.27Å; F1024-G1078 CarbonylContact O-C 3.03Å; F1024-G1078 WeakPolarHBondContact O-CA 3.41Å; F1024-C1079 HydrophobicContact CD1-CB 4.4Å; F1024-C1079 PolarHBondContact N-O 2.8Å; F1024-C1079 PolarHBondContact O-N 2.89Å
1025G88.4Confident85.4Confident0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans156.3-178.6172.900000112L684 V1077L684-G1025 PolarHBondContact N-O 3.06Å; G1025-V1077 CarbonylContact C-O 3.59Å; G1025-V1077 WeakPolarHBondContact CA-O 3.49Å
1026F91.9Very high85.8Confident0 Ų032.2 Ų32.20%018%0.177CC..EExtended strand (participates in β ladder)trans-146.5153.3-17857.3-93.6000111.2W654 P680 W682 L683 I1028 S1045 I1047 L1076 V1077W654-F1026 HydrophobicContact CE3-CD1 4.14Å; W654-F1026 HydrophobicContact CE3-CD2 4.24Å; W654-F1026 HydrophobicContact CE3-CE1 4.31Å; W654-F1026 HydrophobicContact CE3-CE2 4.39Å; W654-F1026 HydrophobicContact CE3-CG 4.11Å; W654-F1026 HydrophobicContact CE3-CZ 4.43Å; W654-F1026 HydrophobicContact CZ3-CD2 4.03Å; W654-F1026 HydrophobicContact CZ3-CE2 4.16Å; W654-F1026 HydrophobicContact CZ3-CG 4.33Å; P680-F1026 HydrophobicContact CB-CB 3.82Å; P680-F1026 HydrophobicContact CG-CB 3.87Å; W682-F1026 CarbonylContact O-C 3.5Å; W682-F1026 VanDerWaalsContact O-CA 3.3Å; W682-F1026 WeakPolarHBondContact O-CA 3.35Å; L683-F1026 HydrophobicContact CD2-CB 4.12Å; F1026-I1028 HydrophobicContact CD2-CG2 4.1Å; F1026-I1028 HydrophobicContact CE2-CG2 4.46Å; F1026-S1045 VanDerWaalsContact CE1-CB 3.42Å; F1026-S1045 WeakPolarHBondContact CE1-OG 3.48Å; F1026-S1045 WeakPolarHBondContact CZ-OG 3.31Å; F1026-I1047 HydrophobicContact CD1-CD1 4.33Å; F1026-I1047 HydrophobicContact CE1-CB 4.29Å; F1026-I1047 HydrophobicContact CE1-CD1 3.91Å; F1026-I1047 HydrophobicContact CE1-CG2 4.3Å; F1026-L1076 VanDerWaalsContact O-CA 3.29Å; F1026-L1076 WeakPolarHBondContact O-CA 3.49Å; F1026-V1077 HydrophobicContact CZ-CB 4.33Å; F1026-V1077 HydrophobicContact CZ-CG2 4.48Å; F1026-V1077 PolarHBondContact N-O 3.11Å; F1026-V1077 PolarHBondContact O-N 3.31Å; F1026-V1077 VanDerWaalsContact O-N 3.08Å
1027A91.9Very high85.7Confident0 Ų033 Ų330%018%0.177CC..EExtended strand (participates in β ladder)trans-116.3131.4167.100000110.8P680 K681 W682 L994 L1075 L1076P680-A1027 CarbonylContact C-O 3.58Å; P680-A1027 WeakPolarHBondContact CB-O 3.43Å; K681-A1027 PolarHBondContact N-O 2.78Å; W682-A1027 HydrophobicContact CB-CB 3.84Å; W682-A1027 PolarHBondContact N-O 2.67Å; W682-A1027 PolarHBondContact O-N 3.06Å; L994-A1027 HydrophobicContact CD2-CB 4.21Å; A1027-L1075 CarbonylContact C-O 3.51Å; A1027-L1075 VanDerWaalsContact CA-O 3.27Å; A1027-L1075 WeakPolarHBondContact CA-O 3.36Å; A1027-L1076 HydrophobicContact CB-CB 3.98Å; A1027-L1076 HydrophobicContact CB-CD1 4.11Å; A1027-L1076 HydrophobicContact CB-CG 4.17Å
1028I91.1Very high85.8Confident14 Ų1433 Ų337%0.07218%0.177CC..EExtended strand (participates in β ladder)trans-114156.4172.859.5177.5000110.1W654 P680 F1026 T1041 W1074 L1075W654-I1028 HydrophobicContact CZ3-CG2 4.22Å; P680-I1028 HydrophobicContact CB-CG2 4.49Å; F1026-I1028 HydrophobicContact CD2-CG2 4.1Å; F1026-I1028 HydrophobicContact CE2-CG2 4.46Å; I1028-T1041 HydrophobicContact CD1-CG2 3.55Å; I1028-T1041 HydrophobicContact CG2-CG2 4.37Å; I1028-W1074 WeakPolarHBondContact O-CA 3.3Å; I1028-L1075 HydrophobicContact CD1-CB 4.22Å; I1028-L1075 HydrophobicContact CD1-CD2 4.07Å; I1028-L1075 HydrophobicContact CG1-CB 3.84Å; I1028-L1075 HydrophobicContact CG1-CD2 4.47Å; I1028-L1075 HydrophobicContact CG1-CG 4.49Å; I1028-L1075 PolarHBondContact N-O 3.34Å; I1028-L1075 PolarHBondContact O-N 3.13Å; I1028-L1075 VanDerWaalsContact O-N 3.14Å
1029N91.8Very high86.3Confident21 Ų2131.4 Ų31.411%0.11217%0.171CC..EExtended strand (participates in β ladder)trans-137.8125.4169.1172-130.2000108.6K681 R793 S1072 V1073 W1074K681-N1029 HydrophobicContact CD-CB 4.46Å; K681-N1029 HydrophobicContact CG-CB 4.06Å; R793-N1029 PolarHBondContact NH2-OD1 2.8Å; N1029-S1072 PolarHBondContact ND2-OG 3.1Å; N1029-V1073 VanDerWaalsContact CA-O 3.28Å; N1029-V1073 WeakPolarHBondContact CA-O 3.28Å; N1029-V1073 PolarHBondContact ND2-O 3.38Å; N1029-W1074 HydrophobicContact CB-CD2 3.68Å; N1029-W1074 HydrophobicContact CB-CE3 3.73Å; N1029-W1074 HydrophobicContact CB-CG 4.34Å; N1029-W1074 HydrophobicContact CB-CH2 3.86Å; N1029-W1074 HydrophobicContact CB-CZ2 3.8Å; N1029-W1074 HydrophobicContact CB-CZ3 3.83Å
1030Q89.2Confident86.4Confident48 Ų4831.9 Ų31.922%0.22417%0.167CC..EExtended strand (participates in β ladder)trans-148.1162.9-177.160.9-173.565.500110.4D1037 V1073Q1030-D1037 PolarHBondContact NE2-O 2.73Å; Q1030-D1037 VanDerWaalsContact NE2-O 3.16Å; Q1030-V1073 PolarHBondContact N-O 3.42Å; Q1030-V1073 PolarHBondContact O-N 2.91Å
1031G89.1Confident86.4Confident15 Ų1530.1 Ų30.116%0.15515%0.154CC..  trans-65.4165.9165.500000112.2L797L797-G1031 VanDerWaalsContact O-CA 3.23Å; L797-G1031 WeakPolarHBondContact O-CA 3.42Å
1032F86.8Confident86.7Confident15 Ų1528.3 Ų28.37%0.06615%0.147CC..  trans-126.1148.8178.1-176.9-101.4000112.8L466 L959 L963 A1034 E1035 I1038 V1073L466-F1032 HydrophobicContact CD1-CD1 4.25Å; L466-F1032 HydrophobicContact CD1-CE1 4.07Å; L466-F1032 HydrophobicContact CD2-CD1 4.29Å; L959-F1032 HydrophobicContact CD1-CD1 4.13Å; L959-F1032 HydrophobicContact CD1-CE1 3.65Å; L959-F1032 HydrophobicContact CD1-CE2 4.43Å; L959-F1032 HydrophobicContact CD1-CZ 3.82Å; L959-F1032 HydrophobicContact CD2-CD1 3.62Å; L959-F1032 HydrophobicContact CD2-CE1 3.98Å; L959-F1032 HydrophobicContact CD2-CG 4.13Å; L959-F1032 HydrophobicContact CG-CE1 4.49Å; L963-F1032 HydrophobicContact CD1-CD2 4.35Å; L963-F1032 HydrophobicContact CD1-CE2 4.35Å; L963-F1032 HydrophobicContact CD2-CE2 3.83Å; L963-F1032 HydrophobicContact CD2-CZ 4.37Å; F1032-A1034 VanDerWaalsContact CE2-C 3.42Å; F1032-A1034 WeakPolarHBondContact CE2-O 3.35Å; F1032-E1035 HydrophobicContact CE2-CG 4.42Å; F1032-E1035 HydrophobicContact CZ-CG 4.23Å; F1032-I1038 HydrophobicContact CD2-CD1 3.63Å; F1032-I1038 HydrophobicContact CE2-CD1 3.95Å; F1032-V1073 HydrophobicContact CB-CG2 3.67Å; F1032-V1073 HydrophobicContact CD2-CG2 4.43Å; F1032-V1073 HydrophobicContact CG-CG2 4.23Å
1033L77Confident86.8Confident10 Ų1026.6 Ų26.65%0.05215%0.146CC..SBendtrans-158.2-37.7167.2-171.268.7000111.2P799 R825P799-L1033 HydrophobicContact CB-CB 4.36Å; P799-L1033 HydrophobicContact CB-CD2 4.37Å; P799-L1033 HydrophobicContact CG-CB 3.66Å; P799-L1033 HydrophobicContact CG-CD2 4.2Å; P799-L1033 HydrophobicContact CG-CG 4.4Å; R825-L1033 HydrophobicContact CG-CD2 3.8Å
1034A80.5Confident86.7Confident18 Ų1828.8 Ų28.815%0.14916%0.157CC..  trans-134.9151.3-177.200000110.7F1032 E1036F1032-A1034 VanDerWaalsContact CE2-C 3.42Å; F1032-A1034 WeakPolarHBondContact CE2-O 3.35Å; A1034-E1036 VanDerWaalsContact C-N 3.31Å; A1034-E1036 WeakPolarHBondContact CB-OE2 3.48Å
1035E85.7Confident86.7Confident40 Ų4028.4 Ų28.419%0.18716%0.155CC..SBendtrans-74-29.2-177.4-64.4175.8-168.700111.3R962 L963 V966 F1032 D1037 I1038 L1039R962-E1035 IonicContact CZ-OE1 3.95Å; R962-E1035 IonicContact NE-OE1 3.47Å; R962-E1035 PolarHBondContact NE-OE1 2.75Å; R962-E1035 IonicContact NH2-OE1 2.7Å; R962-E1035 PolarHBondContact NH2-OE1 3Å; R962-E1035 IonicContact NH2-OE2 2.68Å; L963-E1035 HydrophobicContact CD2-CG 4.16Å; V966-E1035 WeakPolarHBondContact CG1-OE2 3.43Å; V966-E1035 WeakPolarHBondContact CG2-OE2 3.49Å; F1032-E1035 HydrophobicContact CE2-CG 4.42Å; F1032-E1035 HydrophobicContact CZ-CG 4.23Å; E1035-D1037 PolarHBondContact O-N 2.69Å; E1035-I1038 PolarHBondContact O-N 3Å; E1035-I1038 VanDerWaalsContact O-N 3.16Å; E1035-L1039 WeakPolarHBondContact O-CG 3.39Å; E1035-L1039 PolarHBondContact O-N 3.43Å
1036E84.6Confident86.6Confident119 Ų11929.1 Ų29.156%0.55616%0.159SC*.Hα-helixtrans-56.8-44177.6-66.480.3176.800112.1A1034 I1038 L1039 D1040A1034-E1036 VanDerWaalsContact C-N 3.31Å; A1034-E1036 WeakPolarHBondContact CB-OE2 3.48Å; E1036-I1038 PolarHBondContact O-N 3.46Å; E1036-I1038 VanDerWaalsContact O-N 3.14Å; E1036-L1039 PolarHBondContact O-N 2.81Å; E1036-L1039 VanDerWaalsContact O-N 3.15Å; E1036-D1040 WeakPolarHBondContact O-CB 3.46Å; E1036-D1040 PolarHBondContact O-N 2.63Å
1037D79.7Confident86.3Confident78 Ų7829.1 Ų29.142%0.41716%0.159SC..Hα-helixtrans-59.9-27.2179.4-73.9-49000113.1Q1030 E1035 T1041Q1030-D1037 PolarHBondContact NE2-O 2.73Å; Q1030-D1037 VanDerWaalsContact NE2-O 3.16Å; E1035-D1037 PolarHBondContact O-N 2.69Å; D1037-T1041 PolarHBondContact O-OG1 2.78Å
1038I86.8Confident85.9Confident3 Ų329.9 Ų29.92%0.01516%0.164CC..Hα-helixtrans-85.8-47.2176.5-66174.3000109.6L963 V967 F1032 E1035 E1036 D1040 T1041 V1042 V1073 L1075L963-I1038 HydrophobicContact CD1-CD1 3.72Å; L963-I1038 HydrophobicContact CD2-CD1 3.72Å; L963-I1038 HydrophobicContact CG-CD1 4.35Å; V967-I1038 HydrophobicContact CG2-CG2 4.09Å; F1032-I1038 HydrophobicContact CD2-CD1 3.63Å; F1032-I1038 HydrophobicContact CE2-CD1 3.95Å; E1035-I1038 PolarHBondContact O-N 3Å; E1035-I1038 VanDerWaalsContact O-N 3.16Å; E1036-I1038 PolarHBondContact O-N 3.46Å; E1036-I1038 VanDerWaalsContact O-N 3.14Å; I1038-D1040 PolarHBondContact O-N 3.41Å; I1038-T1041 PolarHBondContact O-N 3.16Å; I1038-V1042 PolarHBondContact O-N 3.1Å; I1038-V1042 VanDerWaalsContact O-N 3.16Å; I1038-V1073 HydrophobicContact CD1-CB 4.49Å; I1038-V1073 HydrophobicContact CD1-CG1 3.89Å; I1038-L1075 HydrophobicContact CG2-CD2 3.77Å
1039L89.7Confident85.5Confident20 Ų2033.1 Ų33.111%0.10518%0.181CC..Hα-helixtrans-60.9-42.8179.9-71.5173.1000112.6V966 V967 H970 W974 E1035 E1036 T1041 V1042 A1043V966-L1039 HydrophobicContact CG1-CD1 3.97Å; V966-L1039 HydrophobicContact CG1-CD2 4.28Å; V966-L1039 HydrophobicContact CG1-CG 4.41Å; V967-L1039 HydrophobicContact CG2-CD2 4.2Å; H970-L1039 HydrophobicContact CB-CD2 3.59Å; W974-L1039 HydrophobicContact CH2-CB 4.28Å; W974-L1039 HydrophobicContact CH2-CD2 4Å; W974-L1039 WeakPolarHBondContact CH2-O 3.4Å; E1035-L1039 WeakPolarHBondContact O-CG 3.39Å; E1035-L1039 PolarHBondContact O-N 3.43Å; E1036-L1039 PolarHBondContact O-N 2.81Å; E1036-L1039 VanDerWaalsContact O-N 3.15Å; L1039-T1041 VanDerWaalsContact C-N 3.26Å; L1039-T1041 PolarHBondContact O-N 3.21Å; L1039-V1042 PolarHBondContact O-N 3.06Å; L1039-V1042 VanDerWaalsContact O-N 3.15Å; L1039-A1043 WeakPolarHBondContact O-CB 3.3Å; L1039-A1043 PolarHBondContact O-N 3.28Å
1040D84.5Confident84.9Confident94 Ų9432.4 Ų32.450%0.50318%0.177SC..Hα-helixtrans-58.3-39.3175.9-112.622.2000111.5E1036 I1038 A1043 M1044E1036-D1040 WeakPolarHBondContact O-CB 3.46Å; E1036-D1040 PolarHBondContact O-N 2.63Å; I1038-D1040 PolarHBondContact O-N 3.41Å; D1040-A1043 PolarHBondContact O-N 2.67Å; D1040-M1044 HydrophobicContact CB-CE 3.93Å; D1040-M1044 WeakPolarHBondContact O-CB 3.21Å; D1040-M1044 VanDerWaalsContact O-CG 3.27Å; D1040-M1044 WeakPolarHBondContact O-CG 3.29Å; D1040-M1044 PolarHBondContact O-N 3.05Å; D1040-M1044 WeakPolarHBondContact OD2-CE 3.33Å
1041T83.9Confident84.1Confident19 Ų1933.6 Ų33.612%0.11719%0.188CC..Hα-helixtrans-70.7-34.1179.1-58.60000111.9W654 I1028 D1037 I1038 L1039W654-T1041 HydrophobicContact CH2-CG2 4.02Å; W654-T1041 HydrophobicContact CZ3-CG2 4.42Å; I1028-T1041 HydrophobicContact CD1-CG2 3.55Å; I1028-T1041 HydrophobicContact CG2-CG2 4.37Å; D1037-T1041 PolarHBondContact O-OG1 2.78Å; I1038-T1041 PolarHBondContact O-N 3.16Å; L1039-T1041 VanDerWaalsContact C-N 3.26Å; L1039-T1041 PolarHBondContact O-N 3.21Å
1042V89.8Confident83.3Confident1 Ų135.7 Ų35.71%0.00620%0.196CC..Hα-helixtrans-69.4-46.5171-175.30000110.9V967 L971 W974 I1038 L1039 M1044 S1045 I1047 L1075 V1077V967-V1042 HydrophobicContact CG1-CG2 4.37Å; L971-V1042 HydrophobicContact CD2-CG1 3.91Å; L971-V1042 HydrophobicContact CG-CG1 4.47Å; W974-V1042 HydrophobicContact CH2-CB 4.45Å; W974-V1042 HydrophobicContact CZ3-CB 4.09Å; W974-V1042 HydrophobicContact CZ3-CG1 3.84Å; I1038-V1042 PolarHBondContact O-N 3.1Å; I1038-V1042 VanDerWaalsContact O-N 3.16Å; L1039-V1042 PolarHBondContact O-N 3.06Å; L1039-V1042 VanDerWaalsContact O-N 3.15Å; V1042-M1044 PolarHBondContact O-N 3.1Å; V1042-S1045 WeakPolarHBondContact O-CB 3.35Å; V1042-S1045 PolarHBondContact O-N 3.4Å; V1042-S1045 PolarHBondContact O-OG 3.15Å; V1042-I1047 HydrophobicContact CG1-CG2 4.16Å; V1042-L1075 HydrophobicContact CG2-CD2 3.42Å; V1042-L1075 VanDerWaalsContact CG2-CD2 3.42Å; V1042-V1077 HydrophobicContact CG1-CG2 4.48Å; V1042-V1077 HydrophobicContact CG2-CG2 4.23Å
1043A87.3Confident82.5Confident36 Ų3640 Ų4030%0.29823%0.228SC..Hα-helixtrans-60.9-43.5-178.700000112.4W974 L1039 D1040 S1045W974-A1043 HydrophobicContact CH2-CB 3.9Å; W974-A1043 HydrophobicContact CZ2-CB 4.03Å; W974-A1043 HydrophobicContact CZ3-CB 4.4Å; L1039-A1043 WeakPolarHBondContact O-CB 3.3Å; L1039-A1043 PolarHBondContact O-N 3.28Å; D1040-A1043 PolarHBondContact O-N 2.67Å; A1043-S1045 PolarHBondContact O-N 3.22Å
1044M84.5Confident82.6Confident46 Ų4641.6 Ų41.623%0.22724%0.24CC..THydrogen-bonded Turntrans-71.6-7.7-179.6-68.1-174.1-144.800114.5R581 R624 D1040 V1042R581-M1044 PolarHBondContact NH1-O 2.89Å; R624-M1044 PolarHBondContact NH1-SD 3.19Å; D1040-M1044 HydrophobicContact CB-CE 3.93Å; D1040-M1044 WeakPolarHBondContact O-CB 3.21Å; D1040-M1044 VanDerWaalsContact O-CG 3.27Å; D1040-M1044 WeakPolarHBondContact O-CG 3.29Å; D1040-M1044 PolarHBondContact O-N 3.05Å; D1040-M1044 WeakPolarHBondContact OD2-CE 3.33Å; V1042-M1044 PolarHBondContact O-N 3.1Å
1045S87.4Confident82.7Confident0 Ų041 Ų410%023%0.234CC..THydrogen-bonded Turntrans-86.2-4-179.6780000115F1026 V1042 A1043 I1047F1026-S1045 VanDerWaalsContact CE1-CB 3.42Å; F1026-S1045 WeakPolarHBondContact CE1-OG 3.48Å; F1026-S1045 WeakPolarHBondContact CZ-OG 3.31Å; V1042-S1045 WeakPolarHBondContact O-CB 3.35Å; V1042-S1045 PolarHBondContact O-N 3.4Å; V1042-S1045 PolarHBondContact O-OG 3.15Å; A1043-S1045 PolarHBondContact O-N 3.22Å; S1045-I1047 PolarHBondContact O-N 3.18Å; S1045-I1047 VanDerWaalsContact OG-CG2 3.27Å; S1045-I1047 WeakPolarHBondContact OG-CG2 3.3Å; S1045-I1047 PolarHBondContact OG-N 2.94Å
1046D84.6Confident82.9Confident14 Ų1440.5 Ų40.58%0.07523%0.232CC..THydrogen-bonded Turntrans57.15.8-174.2-7437.2000115.1R581 F628 R652 C1048 N1049R581-D1046 IonicContact NH2-OD1 3.5Å; R581-D1046 PolarHBondContact NH2-OD1 3.05Å; R581-D1046 VanDerWaalsContact NH2-OD1 3.11Å; F628-D1046 HydrophobicContact CE1-CB 3.97Å; R652-D1046 HydrophobicContact CB-CB 4.11Å; R652-D1046 WeakPolarHBondContact CD-OD2 3.41Å; R652-D1046 IonicContact CZ-OD2 2.67Å; R652-D1046 IonicContact NH1-OD2 2.91Å; R652-D1046 PolarHBondContact NH1-OD2 3.01Å; D1046-C1048 PolarHBondContact O-N 3.25Å; D1046-C1048 VanDerWaalsContact O-N 3.15Å; D1046-N1049 WeakPolarHBondContact O-CB 3.02Å; D1046-N1049 PolarHBondContact O-N 3.28Å; D1046-N1049 PolarHBondContact O-ND2 2.78Å
1047I86.2Confident83.3Confident0 Ų034.9 Ų34.90%021%0.206CC..G310 helixtrans-65-21.4-174-160.2163.2000114.1L971 F1024 F1026 V1042 S1045 N1049 F1050 F1057 V1077L971-I1047 HydrophobicContact CD2-CG2 4.48Å; F1024-I1047 HydrophobicContact CD1-CD1 4.3Å; F1024-I1047 HydrophobicContact CE1-CD1 3.95Å; F1024-I1047 HydrophobicContact CE1-CG1 4.15Å; F1026-I1047 HydrophobicContact CD1-CD1 4.33Å; F1026-I1047 HydrophobicContact CE1-CB 4.29Å; F1026-I1047 HydrophobicContact CE1-CD1 3.91Å; F1026-I1047 HydrophobicContact CE1-CG2 4.3Å; V1042-I1047 HydrophobicContact CG1-CG2 4.16Å; S1045-I1047 PolarHBondContact O-N 3.18Å; S1045-I1047 VanDerWaalsContact OG-CG2 3.27Å; S1045-I1047 WeakPolarHBondContact OG-CG2 3.3Å; S1045-I1047 PolarHBondContact OG-N 2.94Å; I1047-N1049 PolarHBondContact O-N 2.77Å; I1047-F1050 HydrophobicContact CG1-CD2 4.45Å; I1047-F1050 WeakPolarHBondContact O-CD2 3.17Å; I1047-F1057 HydrophobicContact CG1-CE1 4.46Å; I1047-F1057 WeakPolarHBondContact O-CE1 3.49Å; I1047-V1077 HydrophobicContact CD1-CB 4.25Å; I1047-V1077 HydrophobicContact CD1-CG1 3.96Å; I1047-V1077 HydrophobicContact CG2-CG1 4.15Å
1048C83.5Confident83.9Confident17 Ų1731.1 Ų31.112%0.11519%0.186CC..G310 helixtrans-63.7-23171.651.40000113.3W974 R975 D1046 F1050W974-C1048 HydrophobicContact CB-CB 4.08Å; R975-C1048 WeakPolarHBondContact CD-O 3.37Å; R975-C1048 HydrophobicContact CG-CB 4.37Å; R975-C1048 WeakPolarHBondContact CG-O 3.44Å; R975-C1048 PolarHBondContact NH1-O 3.3Å; D1046-C1048 PolarHBondContact O-N 3.25Å; D1046-C1048 VanDerWaalsContact O-N 3.15Å; C1048-F1050 VanDerWaalsContact C-N 3.3Å; C1048-F1050 PolarHBondContact O-N 3.01Å
1049N82.6Confident84.3Confident81 Ų8131.8 Ų31.843%0.43319%0.189SC..G310 helixtrans-80.72.1-172.9-62.1-35.2000114.8D1046 I1047 T1051D1046-N1049 WeakPolarHBondContact O-CB 3.02Å; D1046-N1049 PolarHBondContact O-N 3.28Å; D1046-N1049 PolarHBondContact O-ND2 2.78Å; I1047-N1049 PolarHBondContact O-N 2.77Å; N1049-T1051 PolarHBondContact O-N 2.77Å
1050F79.8Confident84.5Confident6 Ų630.9 Ų30.93%0.02619%0.185CC..  trans-77.188-179.6-78.5-98.3000112.1E651 R652 R653 R975 F1024 I1047 C1048 D1052 F1057E651-F1050 HydrophobicContact CB-CE1 3.87Å; E651-F1050 HydrophobicContact CB-CZ 4.07Å; E651-F1050 HydrophobicContact CG-CD1 4.08Å; E651-F1050 HydrophobicContact CG-CE1 3.86Å; E651-F1050 HydrophobicContact CG-CZ 4.46Å; E651-F1050 VanDerWaalsContact OE2-CE1 3.3Å; E651-F1050 WeakPolarHBondContact OE2-CE1 3.32Å; R652-F1050 WeakPolarHBondContact O-CE2 3.45Å; R652-F1050 WeakPolarHBondContact O-CZ 3.42Å; R653-F1050 HydrophobicContact CG-CZ 3.77Å; R975-F1050 PolarHBondContact NH1-O 2.77Å; R975-F1050 PolarHBondContact NH2-O 3.4Å; F1024-F1050 HydrophobicContact CD1-CE2 4.14Å; F1024-F1050 AromaticContact CD1-CZ 3.93Å; F1024-F1050 HydrophobicContact CD1-CZ 3.93Å; F1024-F1050 HydrophobicContact CE1-CE2 4.19Å; F1024-F1050 HydrophobicContact CE1-CZ 4.27Å; I1047-F1050 HydrophobicContact CG1-CD2 4.45Å; I1047-F1050 WeakPolarHBondContact O-CD2 3.17Å; C1048-F1050 VanDerWaalsContact C-N 3.3Å; C1048-F1050 PolarHBondContact O-N 3.01Å; F1050-D1052 VanDerWaalsContact C-N 3.26Å; F1050-D1052 PolarHBondContact O-N 2.86Å; F1050-F1057 HydrophobicContact CB-CZ 4.33Å
1051T71.7Confident85Confident74 Ų7426.5 Ų26.545%0.45416%0.161SC..  trans-83.819.6-17652.20000115.2K649 N1049 S1053K649-T1051 VanDerWaalsContact CE-OG1 3.31Å; K649-T1051 WeakPolarHBondContact CE-OG1 3.38Å; N1049-T1051 PolarHBondContact O-N 2.77Å; T1051-S1053 PolarHBondContact O-N 3.41Å
1052D73Confident85.5Confident59 Ų5927.1 Ų27.132%0.31616%0.162SC..  trans-54.2115.4167.8153.258.8000113.2F1050 S1054 T1055F1050-D1052 VanDerWaalsContact C-N 3.26Å; F1050-D1052 PolarHBondContact O-N 2.86Å; D1052-S1054 PolarHBondContact O-N 3.44Å; D1052-S1054 WeakPolarHBondContact OD1-CA 3.43Å; D1052-S1054 WeakPolarHBondContact OD1-CB 3.24Å; D1052-S1054 PolarHBondContact OD1-N 2.96Å; D1052-S1054 PolarHBondContact OD1-OG 3.1Å; D1052-T1055 WeakPolarHBondContact CA-OG1 3.46Å; D1052-T1055 VanDerWaalsContact O-CB 3.26Å; D1052-T1055 WeakPolarHBondContact O-CB 3.04Å; D1052-T1055 PolarHBondContact O-N 3.3Å
1053S70Confident85.8Confident106 Ų10627.3 Ų27.374%0.74116%0.163SC*.THydrogen-bonded Turntrans-67.1-17.3171.763.40000113.2T1051T1051-S1053 PolarHBondContact O-N 3.41Å
1054S78.1Confident86Confident43 Ų4328 Ų2830%0.30116%0.159SC..THydrogen-bonded Turntrans-95.73.5170.171.80000114.1D1052D1052-S1054 PolarHBondContact O-N 3.44Å; D1052-S1054 WeakPolarHBondContact OD1-CA 3.43Å; D1052-S1054 WeakPolarHBondContact OD1-CB 3.24Å; D1052-S1054 PolarHBondContact OD1-N 2.96Å; D1052-S1054 PolarHBondContact OD1-OG 3.1Å
1055T83.2Confident86.3Confident4 Ų425.9 Ų25.93%0.02515%0.15CC..EExtended strand (participates in β ladder)trans-82.3131174.9-62.80000111.6D1052 F1057 C1079 L1080D1052-T1055 WeakPolarHBondContact CA-OG1 3.46Å; D1052-T1055 VanDerWaalsContact O-CB 3.26Å; D1052-T1055 WeakPolarHBondContact O-CB 3.04Å; D1052-T1055 PolarHBondContact O-N 3.3Å; T1055-F1057 HydrophobicContact CG2-CD2 4.31Å; T1055-F1057 HydrophobicContact CG2-CE2 3.96Å; T1055-C1079 HydrophobicContact CG2-CB 4.44Å; T1055-C1079 WeakPolarHBondContact CG2-SG 3.32Å; T1055-L1080 WeakPolarHBondContact CA-O 3.2Å
1056E90.6Very high86.5Confident30 Ų3026.4 Ų26.414%0.1415%0.152CC..EExtended strand (participates in β ladder)trans-112.7133168.3-62.6170.7-167.900108.5R981 N983 L1080 K1082R981-E1056 HydrophobicContact CB-CG 4.42Å; R981-E1056 CarbonylContact O-C 3.52Å; N983-E1056 HydrophobicContact CB-CB 4.15Å; N983-E1056 PolarHBondContact ND2-OE2 3.39Å; E1056-L1080 PolarHBondContact N-O 2.62Å; E1056-L1080 WeakPolarHBondContact O-CD1 3.46Å; E1056-L1080 PolarHBondContact O-N 2.99Å; E1056-K1082 WeakPolarHBondContact OE1-CE 3.33Å; E1056-K1082 IonicContact OE1-NZ 2.95Å; E1056-K1082 PolarHBondContact OE1-NZ 3.4Å
1057F91.8Very high86.7Confident1 Ų126 Ų260%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-84.5150.2173.8-74.9-100000110.3R975 T980 R981 F982 N983 I1047 F1050 T1055 G1078R975-F1057 VanDerWaalsContact CZ-CE2 3.45Å; T980-F1057 HydrophobicContact CG2-CD2 3.84Å; T980-F1057 HydrophobicContact CG2-CE2 4.33Å; T980-F1057 HydrophobicContact CG2-CG 4.19Å; R981-F1057 PolarHBondContact O-N 3.18Å; F982-F1057 CarbonylContact C-O 3.19Å; F982-F1057 VanDerWaalsContact CA-O 3.31Å; F982-F1057 WeakPolarHBondContact CA-O 3.2Å; F982-F1057 HydrophobicContact CD1-CB 4.01Å; F982-F1057 HydrophobicContact CE1-CB 3.98Å; N983-F1057 PolarHBondContact N-O 3.42Å; I1047-F1057 HydrophobicContact CG1-CE1 4.46Å; I1047-F1057 WeakPolarHBondContact O-CE1 3.49Å; F1050-F1057 HydrophobicContact CB-CZ 4.33Å; T1055-F1057 HydrophobicContact CG2-CD2 4.31Å; T1055-F1057 HydrophobicContact CG2-CE2 3.96Å; F1057-G1078 CarbonylContact C-O 3.54Å; F1057-G1078 VanDerWaalsContact CA-O 3.3Å; F1057-G1078 WeakPolarHBondContact CA-O 3.4Å
1058A92.9Very high86.6Confident0 Ų026.9 Ų26.90%016%0.156CC..EExtended strand (participates in β ladder)trans-126.8137.8166.200000109.2A986 F990 G1078 L1080A986-A1058 HydrophobicContact CB-CB 3.79Å; F990-A1058 HydrophobicContact CD2-CB 3.89Å; F990-A1058 HydrophobicContact CE2-CB 3.73Å; A1058-G1078 PolarHBondContact N-O 2.84Å; A1058-G1078 PolarHBondContact O-N 3.24Å; A1058-L1080 HydrophobicContact CB-CD1 3.48Å; A1058-L1080 VanDerWaalsContact CB-CD1 3.48Å
1059L94.4Very high86.6Confident17 Ų1726.7 Ų26.79%0.08916%0.155CC..EExtended strand (participates in β ladder)trans-126.3125.3177.3178.164.7000107.9R964 V967 T968 F982 G987 V1061 L1075 V1077R964-L1059 HydrophobicContact CG-CD2 4.1Å; R964-L1059 WeakPolarHBondContact O-CD2 3.36Å; V967-L1059 HydrophobicContact CB-CD1 4.38Å; V967-L1059 HydrophobicContact CB-CD2 4.16Å; V967-L1059 HydrophobicContact CG1-CD1 3.72Å; V967-L1059 HydrophobicContact CG1-CD2 4.11Å; T968-L1059 WeakPolarHBondContact OG1-CD2 3.34Å; F982-L1059 HydrophobicContact CD1-CB 4.42Å; F982-L1059 HydrophobicContact CE1-CB 4.3Å; G987-L1059 WeakPolarHBondContact CA-O 3.21Å; L1059-V1061 HydrophobicContact CD1-CG2 4.26Å; L1059-V1061 HydrophobicContact CG-CG2 4.37Å; L1059-L1075 HydrophobicContact CD1-CD1 3.43Å; L1059-L1075 VanDerWaalsContact CD1-CD1 3.43Å; L1059-V1077 HydrophobicContact CD1-CG2 4.15Å
1060A94.8Very high86.9Confident1 Ų123.1 Ų23.11%0.00814%0.136CC..EExtended strand (participates in β ladder)trans-123.4132.6165.800000108.9G987 F990 R991 L994 L1076G987-A1060 WeakPolarHBondContact O-CB 3.39Å; F990-A1060 HydrophobicContact CB-CB 3.66Å; R991-A1060 HydrophobicContact CB-CB 4.34Å; L994-A1060 HydrophobicContact CD1-CB 3.76Å; A1060-L1076 HydrophobicContact CB-CB 4.33Å; A1060-L1076 PolarHBondContact N-O 2.95Å; A1060-L1076 PolarHBondContact O-N 3.2Å
1061V95.2Very high87.4Confident1 Ų123 Ų231%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-124.9134.7170.3-175.80000106.2E960 L963 R964 L1059 V1063 W1074 L1075E960-V1061 HydrophobicContact CG-CB 4.31Å; E960-V1061 HydrophobicContact CG-CG1 4.11Å; E960-V1061 WeakPolarHBondContact CG-O 3.31Å; L963-V1061 HydrophobicContact CB-CG1 4.06Å; R964-V1061 HydrophobicContact CB-CB 4.33Å; R964-V1061 HydrophobicContact CB-CG2 4.03Å; R964-V1061 PolarHBondContact NH2-O 2.89Å; L1059-V1061 HydrophobicContact CD1-CG2 4.26Å; L1059-V1061 HydrophobicContact CG-CG2 4.37Å; V1061-V1063 HydrophobicContact CG1-CG2 4.19Å; V1061-W1074 WeakPolarHBondContact CA-O 3.38Å; V1061-L1075 HydrophobicContact CG2-CD1 3.86Å
1062Y95.2Very high88.4Confident33 Ų3319.5 Ų19.513%0.12911%0.114CC..EExtended strand (participates in β ladder)trans-134.7137.7168.2173-120.6000108.1E960 L994 V995 E998 H1064 W1074E960-Y1062 WeakPolarHBondContact OE2-CD2 3.19Å; L994-Y1062 HydrophobicContact CB-CD1 4.45Å; V995-Y1062 HydrophobicContact CB-CE1 4.4Å; V995-Y1062 HydrophobicContact CG2-CD1 4.08Å; V995-Y1062 HydrophobicContact CG2-CD2 3.8Å; V995-Y1062 HydrophobicContact CG2-CE1 4.12Å; V995-Y1062 HydrophobicContact CG2-CE2 3.89Å; V995-Y1062 HydrophobicContact CG2-CG 3.93Å; E998-Y1062 HydrophobicContact CB-CD1 4.33Å; E998-Y1062 HydrophobicContact CB-CE1 3.7Å; E998-Y1062 HydrophobicContact CG-CE1 3.92Å; Y1062-H1064 HydrophobicContact CE1-CB 4.05Å; Y1062-H1064 PolarHBondContact OH-ND1 3.38Å; Y1062-W1074 PolarHBondContact N-O 3.32Å; Y1062-W1074 PolarHBondContact O-N 3.4Å
1063V94.3Very high89.4Confident5 Ų516.8 Ų16.83%0.0310%0.1CC..EExtended strand (participates in β ladder)trans-126.8128.4-179.8179.70000108.8L959 E960 L963 V1061 Y1071 V1073L959-V1063 HydrophobicContact CD2-CG1 4.08Å; L959-V1063 HydrophobicContact CG-CG1 4.44Å; L959-V1063 HydrophobicContact CG-CG2 4.44Å; E960-V1063 HydrophobicContact CB-CB 4.08Å; E960-V1063 HydrophobicContact CB-CG2 3.8Å; E960-V1063 HydrophobicContact CG-CG2 4.31Å; L963-V1063 HydrophobicContact CD1-CG2 4.31Å; V1061-V1063 HydrophobicContact CG1-CG2 4.19Å; V1063-Y1071 HydrophobicContact CG1-CD1 3.86Å; V1063-Y1071 HydrophobicContact CG1-CG 4.44Å; V1063-V1073 HydrophobicContact CG1-CG2 4.38Å; V1063-V1073 HydrophobicContact CG2-CG1 4.46Å; V1063-V1073 HydrophobicContact CG2-CG2 4.13Å
1064H93.4Very high90.6Very high49 Ų4912.3 Ų12.323%0.2277%0.066CC..EExtended strand (participates in β ladder)trans-118.6110.4175.6-169.4103.8000108.7E998 Y1062 Y1066 S1072E998-H1064 HydrophobicContact CG-CB 3.72Å; Y1062-H1064 HydrophobicContact CE1-CB 4.05Å; Y1062-H1064 PolarHBondContact OH-ND1 3.38Å; H1064-Y1066 AromaticContact CD2-CD1 3.88Å; H1064-Y1066 AromaticContact CD2-CE1 3.48Å; H1064-Y1066 VanDerWaalsContact CD2-CE1 3.48Å; H1064-Y1066 WeakPolarHBondContact CD2-CE1 3.5Å; H1064-Y1066 AromaticContact CD2-CE2 3.94Å; H1064-Y1066 AromaticContact CD2-CZ 3.54Å; H1064-Y1066 AromaticContact NE2-CD1 3.93Å; H1064-Y1066 AromaticContact NE2-CE1 3.36Å; H1064-Y1066 WeakPolarHBondContact NE2-CE1 3.14Å; H1064-Y1066 AromaticContact NE2-CZ 3.78Å; H1064-S1072 PolarHBondContact N-O 2.72Å; H1064-S1072 PolarHBondContact O-N 3.1Å
1065G90.6Very high91.3Very high2 Ų210.4 Ų10.42%0.0215%0.053CC..EExtended strand (participates in β ladder)trans-77139.7171.500000111.3P951 S956P951-G1065 WeakPolarHBondContact CB-O 3.13Å; S956-G1065 WeakPolarHBondContact OG-CA 3.2Å; S956-G1065 PolarHBondContact OG-N 2.91Å
1066Y91.1Very high91.9Very high12 Ų1210.2 Ų10.25%0.0475%0.051CC..EExtended strand (participates in β ladder)trans-112.9176.7166.8-69.6-63.5000110.5E776 F790 R793 L794 L797 E998 H1064 S1069 V1070E776-Y1066 HydrophobicContact CG-CD1 4.1Å; F790-Y1066 HydrophobicContact CE2-CE1 4.39Å; F790-Y1066 WeakPolarHBondContact CE2-OH 3.44Å; F790-Y1066 AromaticContact CZ-CE1 3.77Å; F790-Y1066 HydrophobicContact CZ-CE1 3.77Å; F790-Y1066 AromaticContact CZ-CZ 3.85Å; R793-Y1066 PolarHBondContact NH1-OH 3.47Å; L794-Y1066 HydrophobicContact CD1-CD1 4.36Å; L794-Y1066 HydrophobicContact CD1-CD2 3.38Å; L794-Y1066 HydrophobicContact CD1-CE2 3.99Å; L794-Y1066 HydrophobicContact CD1-CG 3.57Å; L797-Y1066 HydrophobicContact CD1-CD2 3.9Å; L797-Y1066 HydrophobicContact CD1-CE2 3.74Å; E998-Y1066 PolarHBondContact OE1-OH 3.23Å; H1064-Y1066 AromaticContact CD2-CD1 3.88Å; H1064-Y1066 AromaticContact CD2-CE1 3.48Å; H1064-Y1066 VanDerWaalsContact CD2-CE1 3.48Å; H1064-Y1066 WeakPolarHBondContact CD2-CE1 3.5Å; H1064-Y1066 AromaticContact CD2-CE2 3.94Å; H1064-Y1066 AromaticContact CD2-CZ 3.54Å; H1064-Y1066 AromaticContact NE2-CD1 3.93Å; H1064-Y1066 AromaticContact NE2-CE1 3.36Å; H1064-Y1066 WeakPolarHBondContact NE2-CE1 3.14Å; H1064-Y1066 AromaticContact NE2-CZ 3.78Å; Y1066-S1069 PolarHBondContact O-N 3.33Å; Y1066-V1070 WeakPolarHBondContact CB-O 3.39Å; Y1066-V1070 PolarHBondContact N-O 3.35Å
1067S88.9Confident92Very high6 Ų68.8 Ų8.84%0.0425%0.045CC..G310 helixtrans-52.3151171.7-910000113.4E776 S949 S1069 V1070E776-S1067 WeakPolarHBondContact OE1-CB 3.43Å; E776-S1067 PolarHBondContact OE1-N 2.99Å; S949-S1067 WeakPolarHBondContact O-CA 3.29Å; S949-S1067 WeakPolarHBondContact O-CB 3.49Å; S949-S1067 PolarHBondContact O-OG 3.37Å; S1067-S1069 PolarHBondContact O-N 3.22Å; S1067-V1070 WeakPolarHBondContact O-CG2 3.5Å
1068C84.5Confident91.9Very high17 Ų178.7 Ų8.712%0.1155%0.045CC..G310 helixtrans56.133.1-171.3-65.90000114.4L821 M824 S949 V1070L821-C1068 HydrophobicContact CD2-CB 4.22Å; M824-C1068 VanDerWaalsContact CE-O 3.28Å; M824-C1068 WeakPolarHBondContact CE-O 3.31Å; M824-C1068 VanDerWaalsContact SD-O 3.38Å; S949-C1068 PolarHBondContact O-N 2.78Å; S949-C1068 VanDerWaalsContact O-N 3.17Å; S949-C1068 VanDerWaalsContact OG-CA 3.28Å; S949-C1068 WeakPolarHBondContact OG-CA 3.46Å; S949-C1068 PolarHBondContact OG-N 2.93Å; C1068-V1070 PolarHBondContact O-N 2.97Å; C1068-V1070 VanDerWaalsContact O-N 3.1Å
1069S83.1Confident91.8Very high14 Ų148.9 Ų8.910%0.0985%0.046CC..G310 helixtrans55.230.7177.4-61.40000113.8M824 Y1066 S1067 Y1071M824-S1069 VanDerWaalsContact CE-O 3.31Å; M824-S1069 WeakPolarHBondContact CE-O 3.41Å; Y1066-S1069 PolarHBondContact O-N 3.33Å; S1067-S1069 PolarHBondContact O-N 3.22Å; S1069-Y1071 WeakPolarHBondContact O-CD2 3.31Å; S1069-Y1071 WeakPolarHBondContact O-CE2 3.26Å; S1069-Y1071 PolarHBondContact O-N 3.03Å
1070V88.1Confident91.6Very high6 Ų68 Ų84%0.0364%0.041CC..EExtended strand (participates in β ladder)trans-78.9107.9174.3176.90000108.7L794 L797 I798 M824 Y1066 S1067 C1068L794-V1070 HydrophobicContact CD1-CB 4.37Å; L794-V1070 HydrophobicContact CD1-CG1 3.88Å; L797-V1070 HydrophobicContact CB-CG1 3.46Å; L797-V1070 VanDerWaalsContact CB-CG1 3.46Å; L797-V1070 HydrophobicContact CD1-CG1 4.27Å; I798-V1070 HydrophobicContact CG1-CG2 4.39Å; M824-V1070 HydrophobicContact CE-CB 4.3Å; M824-V1070 HydrophobicContact CE-CG2 3.72Å; M824-V1070 HydrophobicContact SD-CG2 4.3Å; Y1066-V1070 WeakPolarHBondContact CB-O 3.39Å; Y1066-V1070 PolarHBondContact N-O 3.35Å; S1067-V1070 WeakPolarHBondContact O-CG2 3.5Å; C1068-V1070 PolarHBondContact O-N 2.97Å; C1068-V1070 VanDerWaalsContact O-N 3.1Å
1071Y90.3Very high91.2Very high3 Ų39.6 Ų9.61%0.0125%0.051CC..EExtended strand (participates in β ladder)trans-96.9121.3-177.1-63.6-76000112.7L466 M955 L959 V1063 S1069 V1073L466-Y1071 HydrophobicContact CD1-CD2 4.37Å; L466-Y1071 HydrophobicContact CD1-CE2 3.95Å; L466-Y1071 HydrophobicContact CD2-CD2 4.04Å; L466-Y1071 HydrophobicContact CD2-CE2 3.83Å; L466-Y1071 HydrophobicContact CG-CE2 3.98Å; M955-Y1071 HydrophobicContact CG-CE1 4.38Å; M955-Y1071 WeakPolarHBondContact CG-OH 3.35Å; L959-Y1071 HydrophobicContact CD2-CD1 4.28Å; L959-Y1071 HydrophobicContact CD2-CD2 4.27Å; L959-Y1071 HydrophobicContact CD2-CG 4.04Å; V1063-Y1071 HydrophobicContact CG1-CD1 3.86Å; V1063-Y1071 HydrophobicContact CG1-CG 4.44Å; S1069-Y1071 WeakPolarHBondContact O-CD2 3.31Å; S1069-Y1071 WeakPolarHBondContact O-CE2 3.26Å; S1069-Y1071 PolarHBondContact O-N 3.03Å; Y1071-V1073 PolarHBondContact O-N 3.04Å
1072S93Very high90.5Very high0 Ų014.7 Ų14.70%07%0.073CC..EExtended strand (participates in β ladder)trans-83.2103.1163.5-174.60000109.2R793 E998 N1029 H1064R793-S1072 PolarHBondContact NH2-OG 3.06Å; E998-S1072 VanDerWaalsContact OE2-CB 3.3Å; E998-S1072 WeakPolarHBondContact OE2-CB 3.49Å; E998-S1072 PolarHBondContact OE2-OG 3.12Å; N1029-S1072 PolarHBondContact ND2-OG 3.1Å; H1064-S1072 PolarHBondContact N-O 2.72Å; H1064-S1072 PolarHBondContact O-N 3.1Å
1073V93.6Very high89.6Confident3 Ų317.6 Ų17.62%0.0189%0.089CC..EExtended strand (participates in β ladder)trans-93126.7174.6178.30000109.5L963 N1029 Q1030 F1032 I1038 V1063 Y1071L963-V1073 HydrophobicContact CD1-CG1 3.91Å; L963-V1073 HydrophobicContact CD1-CG2 4.04Å; N1029-V1073 VanDerWaalsContact CA-O 3.28Å; N1029-V1073 WeakPolarHBondContact CA-O 3.28Å; N1029-V1073 PolarHBondContact ND2-O 3.38Å; Q1030-V1073 PolarHBondContact N-O 3.42Å; Q1030-V1073 PolarHBondContact O-N 2.91Å; F1032-V1073 HydrophobicContact CB-CG2 3.67Å; F1032-V1073 HydrophobicContact CD2-CG2 4.43Å; F1032-V1073 HydrophobicContact CG-CG2 4.23Å; I1038-V1073 HydrophobicContact CD1-CB 4.49Å; I1038-V1073 HydrophobicContact CD1-CG1 3.89Å; V1063-V1073 HydrophobicContact CG1-CG2 4.38Å; V1063-V1073 HydrophobicContact CG2-CG1 4.46Å; V1063-V1073 HydrophobicContact CG2-CG2 4.13Å; Y1071-V1073 PolarHBondContact O-N 3.04Å
1074W95Very high88.1Confident11 Ų1127.1 Ų27.14%0.04213%0.125CC..EExtended strand (participates in β ladder)trans-105.4126.5165.2-72.285.4000110.2K681 L994 L997 E998 I1028 N1029 V1061 Y1062K681-W1074 HydrophobicContact CB-CH2 4.15Å; K681-W1074 HydrophobicContact CB-CZ3 3.71Å; K681-W1074 HydrophobicContact CD-CH2 4.47Å; K681-W1074 HydrophobicContact CG-CH2 4.13Å; K681-W1074 HydrophobicContact CG-CZ3 3.89Å; L994-W1074 HydrophobicContact CB-CB 4.12Å; L994-W1074 HydrophobicContact CB-CG 4.49Å; L994-W1074 HydrophobicContact CD1-CB 3.91Å; L994-W1074 HydrophobicContact CD2-CB 4Å; L994-W1074 HydrophobicContact CD2-CD2 4.32Å; L994-W1074 HydrophobicContact CD2-CE3 3.86Å; L994-W1074 HydrophobicContact CD2-CG 4.43Å; L994-W1074 HydrophobicContact CG-CB 4.22Å; L997-W1074 HydrophobicContact CB-CE3 4.46Å; L997-W1074 HydrophobicContact CB-CH2 3.6Å; L997-W1074 HydrophobicContact CB-CZ2 3.8Å; L997-W1074 HydrophobicContact CB-CZ3 3.95Å; L997-W1074 HydrophobicContact CD1-CE3 4.43Å; L997-W1074 HydrophobicContact CD1-CH2 4.3Å; L997-W1074 HydrophobicContact CD1-CZ3 3.89Å; L997-W1074 HydrophobicContact CG-CH2 4.48Å; E998-W1074 PolarHBondContact OE2-NE1 3.21Å; I1028-W1074 WeakPolarHBondContact O-CA 3.3Å; N1029-W1074 HydrophobicContact CB-CD2 3.68Å; N1029-W1074 HydrophobicContact CB-CE3 3.73Å; N1029-W1074 HydrophobicContact CB-CG 4.34Å; N1029-W1074 HydrophobicContact CB-CH2 3.86Å; N1029-W1074 HydrophobicContact CB-CZ2 3.8Å; N1029-W1074 HydrophobicContact CB-CZ3 3.83Å; V1061-W1074 WeakPolarHBondContact CA-O 3.38Å; Y1062-W1074 PolarHBondContact N-O 3.32Å; Y1062-W1074 PolarHBondContact O-N 3.4Å
1075L94.2Very high86Confident3 Ų330.7 Ų30.72%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-121.3129.5171.3173.569.9000108.9V967 A1027 I1028 I1038 V1042 L1059 V1061 V1077V967-L1075 HydrophobicContact CG1-CD1 4.36Å; A1027-L1075 CarbonylContact C-O 3.51Å; A1027-L1075 VanDerWaalsContact CA-O 3.27Å; A1027-L1075 WeakPolarHBondContact CA-O 3.36Å; I1028-L1075 HydrophobicContact CD1-CB 4.22Å; I1028-L1075 HydrophobicContact CD1-CD2 4.07Å; I1028-L1075 HydrophobicContact CG1-CB 3.84Å; I1028-L1075 HydrophobicContact CG1-CD2 4.47Å; I1028-L1075 HydrophobicContact CG1-CG 4.49Å; I1028-L1075 PolarHBondContact N-O 3.34Å; I1028-L1075 PolarHBondContact O-N 3.13Å; I1028-L1075 VanDerWaalsContact O-N 3.14Å; I1038-L1075 HydrophobicContact CG2-CD2 3.77Å; V1042-L1075 HydrophobicContact CG2-CD2 3.42Å; V1042-L1075 VanDerWaalsContact CG2-CD2 3.42Å; L1059-L1075 HydrophobicContact CD1-CD1 3.43Å; L1059-L1075 VanDerWaalsContact CD1-CD1 3.43Å; V1061-L1075 HydrophobicContact CG2-CD1 3.86Å; L1075-V1077 HydrophobicContact CD1-CG2 3.99Å; L1075-V1077 HydrophobicContact CD2-CG2 3.99Å; L1075-V1077 HydrophobicContact CG-CG2 3.93Å
1076L94.2Very high83.4Confident0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-123.8122.7167.9178.9164.5000109.5W682 L684 F990 L994 F1026 A1027 A1060W682-L1076 HydrophobicContact CE3-CD1 3.63Å; W682-L1076 HydrophobicContact CZ3-CD1 3.56Å; L684-L1076 HydrophobicContact CD1-CD2 4.18Å; L684-L1076 HydrophobicContact CD2-CD1 4.25Å; F990-L1076 HydrophobicContact CB-CD1 3.89Å; F990-L1076 HydrophobicContact CB-CD2 3.88Å; F990-L1076 HydrophobicContact CB-CG 4.46Å; F990-L1076 HydrophobicContact CD1-CD1 3.98Å; F990-L1076 HydrophobicContact CD1-CD2 4.25Å; F990-L1076 HydrophobicContact CD2-CD2 3.43Å; F990-L1076 VanDerWaalsContact CD2-CD2 3.43Å; F990-L1076 HydrophobicContact CE2-CD2 3.98Å; F990-L1076 HydrophobicContact CG-CD1 3.91Å; F990-L1076 HydrophobicContact CG-CD2 3.6Å; F990-L1076 HydrophobicContact CG-CG 4.43Å; L994-L1076 HydrophobicContact CD1-CB 4.17Å; L994-L1076 HydrophobicContact CD2-CB 4.1Å; L994-L1076 HydrophobicContact CD2-CD1 4.34Å; L994-L1076 HydrophobicContact CG-CB 4.48Å; F1026-L1076 VanDerWaalsContact O-CA 3.29Å; F1026-L1076 WeakPolarHBondContact O-CA 3.49Å; A1027-L1076 HydrophobicContact CB-CB 3.98Å; A1027-L1076 HydrophobicContact CB-CD1 4.11Å; A1027-L1076 HydrophobicContact CB-CG 4.17Å; A1060-L1076 HydrophobicContact CB-CB 4.33Å; A1060-L1076 PolarHBondContact N-O 2.95Å; A1060-L1076 PolarHBondContact O-N 3.2Å
1077V93Very high83Confident0 Ų043.8 Ų43.80%022%0.221CC..EExtended strand (participates in β ladder)trans-115.6124.8174.4-166.40000108.6L971 G1025 F1026 V1042 I1047 L1059 L1075L971-V1077 HydrophobicContact CD1-CG1 4.02Å; G1025-V1077 CarbonylContact C-O 3.59Å; G1025-V1077 WeakPolarHBondContact CA-O 3.49Å; F1026-V1077 HydrophobicContact CZ-CB 4.33Å; F1026-V1077 HydrophobicContact CZ-CG2 4.48Å; F1026-V1077 PolarHBondContact N-O 3.11Å; F1026-V1077 PolarHBondContact O-N 3.31Å; F1026-V1077 VanDerWaalsContact O-N 3.08Å; V1042-V1077 HydrophobicContact CG1-CG2 4.48Å; V1042-V1077 HydrophobicContact CG2-CG2 4.23Å; I1047-V1077 HydrophobicContact CD1-CB 4.25Å; I1047-V1077 HydrophobicContact CD1-CG1 3.96Å; I1047-V1077 HydrophobicContact CG2-CG1 4.15Å; L1059-V1077 HydrophobicContact CD1-CG2 4.15Å; L1075-V1077 HydrophobicContact CD1-CG2 3.99Å; L1075-V1077 HydrophobicContact CD2-CG2 3.99Å; L1075-V1077 HydrophobicContact CG-CG2 3.93Å
1078G91.3Very high82.7Confident0 Ų045.8 Ų45.80%023%0.23CC..EExtended strand (participates in β ladder)trans-124.2151.9-177.100000113F1024 F1057 A1058F1024-G1078 CarbonylContact O-C 3.03Å; F1024-G1078 WeakPolarHBondContact O-CA 3.41Å; F1057-G1078 CarbonylContact C-O 3.54Å; F1057-G1078 VanDerWaalsContact CA-O 3.3Å; F1057-G1078 WeakPolarHBondContact CA-O 3.4Å; A1058-G1078 PolarHBondContact N-O 2.84Å; A1058-G1078 PolarHBondContact O-N 3.24Å
1079C90.6Very high82.6Confident3 Ų347.4 Ų47.42%0.0224%0.237CC..EExtended strand (participates in β ladder)trans-127.5112.9175.9161.10000107.2F1024 T1055F1024-C1079 HydrophobicContact CD1-CB 4.4Å; F1024-C1079 PolarHBondContact N-O 2.8Å; F1024-C1079 PolarHBondContact O-N 2.89Å; T1055-C1079 HydrophobicContact CG2-CB 4.44Å; T1055-C1079 WeakPolarHBondContact CG2-SG 3.32Å
1080L90.1Very high82.5Confident0 Ų049.4 Ų49.40%025%0.245CC..EExtended strand (participates in β ladder)trans-111.8128.2-174.4-63.687.3000109.6A986 L1017 Y1021 I1023 T1055 E1056 A1058A986-L1080 HydrophobicContact CB-CD1 4.37Å; A986-L1080 HydrophobicContact CB-CD2 3.76Å; L1017-L1080 HydrophobicContact CD2-CD2 4.42Å; Y1021-L1080 HydrophobicContact CD1-CB 3.73Å; Y1021-L1080 HydrophobicContact CD1-CD2 4.14Å; Y1021-L1080 HydrophobicContact CD2-CD2 4.29Å; Y1021-L1080 HydrophobicContact CE1-CB 4.42Å; Y1021-L1080 HydrophobicContact CG-CB 4.17Å; Y1021-L1080 HydrophobicContact CG-CD2 3.97Å; I1023-L1080 HydrophobicContact CD1-CD2 3.9Å; I1023-L1080 HydrophobicContact CD1-CG 4.26Å; I1023-L1080 HydrophobicContact CG1-CD2 4.12Å; I1023-L1080 HydrophobicContact CG1-CG 4.03Å; I1023-L1080 HydrophobicContact CG2-CG 4.35Å; T1055-L1080 WeakPolarHBondContact CA-O 3.2Å; E1056-L1080 PolarHBondContact N-O 2.62Å; E1056-L1080 WeakPolarHBondContact O-CD1 3.46Å; E1056-L1080 PolarHBondContact O-N 2.99Å; A1058-L1080 HydrophobicContact CB-CD1 3.48Å; A1058-L1080 VanDerWaalsContact CB-CD1 3.48Å
1081T86.4Confident82.2Confident33 Ų3352.1 Ų52.120%0.20226%0.258CS..EExtended strand (participates in β ladder)trans-119.8127.9172.2-47.10000108.5Y1021 K1022 I1083Y1021-T1081 CarbonylContact C-O 3.52Å; Y1021-T1081 WeakPolarHBondContact CA-O 3.37Å; K1022-T1081 PolarHBondContact N-O 2.69Å; K1022-T1081 PolarHBondContact O-N 3.21Å; T1081-I1083 PolarHBondContact O-N 2.77Å
1082K80.8Confident81.7Confident109 Ų10955.3 Ų55.347%0.47427%0.274SS..EExtended strand (participates in β ladder)trans-62.3131.1-177.2-74.4173.8-175.7161.20110.9Y1021 E1056 R1084Y1021-K1082 HydrophobicContact CD1-CB 4.5Å; Y1021-K1082 HydrophobicContact CD1-CG 3.71Å; Y1021-K1082 HydrophobicContact CE1-CD 4.13Å; Y1021-K1082 HydrophobicContact CE1-CG 3.33Å; Y1021-K1082 WeakPolarHBondContact OH-CE 3.1Å; E1056-K1082 WeakPolarHBondContact OE1-CE 3.33Å; E1056-K1082 IonicContact OE1-NZ 2.95Å; E1056-K1082 PolarHBondContact OE1-NZ 3.4Å; K1082-R1084 PolarHBondContact O-N 3.02Å; K1082-R1084 VanDerWaalsContact O-N 3.15Å
1083I76Confident80.8Confident93 Ų9359.3 Ų59.348%0.47729%0.294SS..  trans-72108.6170.8-60.9172.7000106.2S1020 T1081S1020-I1083 PolarHBondContact O-N 3.15Å; T1081-I1083 PolarHBondContact O-N 2.77Å
1084R61.6Low79.9Confident206 Ų20663.6 Ų63.678%0.77732%0.315SS*.  trans-67137.2169-62.9-172.9-173.5-170.52.4108K1082K1082-R1084 PolarHBondContact O-N 3.02Å; K1082-R1084 VanDerWaalsContact O-N 3.15Å
1085P49.7Very low78.6Confident124 Ų12468 Ų6881%0.80534%0.338SS*.  trans-52.2146.7160.3-22.734000110.1
1086L35.3Very low77.2Confident245 Ų24573.9 Ų73.9100%1.28337%0.367SS*.  trans-79.40173.8-100166.4000111.2

Retrieved 1,086 of 1,086 residues in 1745.8 ms (Link to these results)

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