A0A5K4F1L1_SCHMA Loading...

Dehydrogenase/reductase SDR family member 1

AlphaFold DB , UniProt , Accession A0A5K4F1L1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 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
1M76Confident94.2Very high138 Ų13851.9 Ų51.968%0.6829%0.288SS*.  0159.70-93.8172.5-75.700108.3K28 R247M1-K28 HydrophobicContact CE-CB 3.77Å; M1-K28 HydrophobicContact CE-CD 4.02Å; M1-K28 HydrophobicContact CE-CG 4.48Å; M1-K28 HydrophobicContact SD-CB 4.28Å; M1-R247 HydrophobicContact CG-CG 4.41Å; M1-R247 HydrophobicContact SD-CG 3.98Å
2K90.4Very high94.6Very high134 Ų13447.6 Ų47.658%0.58326%0.264SS*.  trans-69.1153.2171.3-63.7-71.1-174.8176.40109.1S29 V250 A254K2-S29 VanDerWaalsContact O-CB 3.27Å; K2-S29 WeakPolarHBondContact O-CB 3.23Å; K2-S29 PolarHBondContact O-OG 3.15Å; K2-V250 HydrophobicContact CB-CG1 3.95Å; K2-A254 HydrophobicContact CB-CB 3.65Å; K2-A254 HydrophobicContact CD-CB 4.16Å; K2-A254 HydrophobicContact CG-CB 3.72Å
3D93.1Very high94.8Very high121 Ų12145.2 Ų45.265%0.64726%0.257SS*.  trans-93.7125.2176.6-176.59.2000109.3T5D3-T5 WeakPolarHBondContact OD1-CB 3.49Å; D3-T5 PolarHBondContact OD1-N 3.46Å; D3-T5 PolarHBondContact OD1-OG1 2.69Å
4I95.7Very high95Very high10 Ų1042 Ų425%0.05124%0.239CC..  trans-12629.5174.659168.1000110.3G6 C7 L26 S29 A31 I95 V250 A253I4-G6 PolarHBondContact O-N 3.26Å; I4-C7 HydrophobicContact CB-CB 4.39Å; I4-C7 VanDerWaalsContact O-CB 3.26Å; I4-C7 WeakPolarHBondContact O-CB 3.4Å; I4-C7 PolarHBondContact O-N 3.42Å; I4-L26 HydrophobicContact CD1-CD2 3.63Å; I4-S29 CarbonylContact C-O 3.59Å; I4-S29 VanDerWaalsContact CG1-O 3.29Å; I4-S29 WeakPolarHBondContact CG1-O 3.19Å; I4-S29 PolarHBondContact N-O 3.03Å; I4-A31 HydrophobicContact CD1-CB 3.87Å; I4-A31 HydrophobicContact CG1-CB 4.14Å; I4-I95 HydrophobicContact CD1-CD1 4.46Å; I4-V250 HydrophobicContact CD1-CG2 4.23Å; I4-A253 HydrophobicContact CG2-CB 4.24Å
5T95.5Very high95Very high98 Ų9839.7 Ų39.760%0.60123%0.226SC*.THydrogen-bonded Turntrans-51.4132.9175.4-63.70000110.9D3 C7 S29D3-T5 WeakPolarHBondContact OD1-CB 3.49Å; D3-T5 PolarHBondContact OD1-N 3.46Å; D3-T5 PolarHBondContact OD1-OG1 2.69Å; T5-C7 VanDerWaalsContact C-N 3.35Å; T5-S29 PolarHBondContact N-O 3.01Å
6G93.8Very high95Very high38 Ų3840.4 Ų40.439%0.39222%0.224SC..THydrogen-bonded Turntrans88.5-8.4-177.600000115I4 R92I4-G6 PolarHBondContact O-N 3.26Å; G6-R92 PolarHBondContact O-NH1 2.67Å; G6-R92 PolarHBondContact O-NH2 2.89Å
7C96.9Very high95Very high27 Ų2738.4 Ų38.418%0.18221%0.214CC..  trans-71.4137.8168-70.30000111.2I4 T5 A31 T32 D94I4-C7 HydrophobicContact CB-CB 4.39Å; I4-C7 VanDerWaalsContact O-CB 3.26Å; I4-C7 WeakPolarHBondContact O-CB 3.4Å; I4-C7 PolarHBondContact O-N 3.42Å; T5-C7 VanDerWaalsContact C-N 3.35Å; C7-A31 HydrophobicContact CB-CB 4.49Å; C7-T32 PolarHBondContact O-N 3.16Å; C7-D94 WeakPolarHBondContact CA-OD2 3.42Å; C7-D94 HydrophobicContact CB-CB 4.23Å
8V98.4Very high95.1Very high5 Ų538.2 Ų38.23%0.0321%0.213CC..EExtended strand (participates in β ladder)trans-99.7120.7169.2179.30000108.2T32 Y34 I85 Q89 R92 L93 D94 I95V8-T32 CarbonylContact C-O 3.59Å; V8-T32 WeakPolarHBondContact CA-O 3.26Å; V8-Y34 HydrophobicContact CG1-CD2 4.27Å; V8-Y34 HydrophobicContact CG1-CE2 4.08Å; V8-I85 HydrophobicContact CG1-CG2 4.31Å; V8-Q89 HydrophobicContact CG1-CB 4.36Å; V8-Q89 HydrophobicContact CG1-CG 3.8Å; V8-Q89 HydrophobicContact CG2-CB 4.25Å; V8-Q89 HydrophobicContact CG2-CG 4.12Å; V8-R92 HydrophobicContact CB-CG 4.41Å; V8-R92 HydrophobicContact CG2-CB 4.4Å; V8-R92 HydrophobicContact CG2-CG 4.06Å; V8-L93 HydrophobicContact CG1-CD1 4.14Å; V8-D94 PolarHBondContact N-OD2 3.43Å; V8-D94 PolarHBondContact O-N 2.92Å; V8-I95 PolarHBondContact O-N 3.45Å; V8-I95 VanDerWaalsContact O-N 3.16Å
9C98.8Very high95.2Very high0 Ų036.2 Ų36.20%020%0.201CC..EExtended strand (participates in β ladder)trans-119.9146.2-175.6-54.20000110.9L26 T32 V33 Y34 I95C9-L26 HydrophobicContact CB-CD1 4.03Å; C9-T32 PolarHBondContact N-O 3.04Å; C9-V33 HydrophobicContact CB-CG1 4.27Å; C9-V33 HydrophobicContact CB-CG2 4.4Å; C9-V33 CarbonylContact O-C 3.2Å; C9-V33 WeakPolarHBondContact O-CA 3.45Å; C9-Y34 PolarHBondContact O-N 2.96Å; C9-I95 CarbonylContact C-O 3.59Å; C9-I95 VanDerWaalsContact CA-O 3.24Å; C9-I95 WeakPolarHBondContact CA-O 3.27Å; C9-I95 HydrophobicContact CB-CB 4.25Å
10L98.9Very high95.3Very high0 Ų036.3 Ų36.30%020%0.199CC..EExtended strand (participates in β ladder)trans-118.6127.3166.916960.8000109.2T12 T36 L81 F82 I85 L93 I95 V96 V97L10-T12 HydrophobicContact CD2-CG2 4.47Å; L10-T12 HydrophobicContact CG-CG2 4.32Å; L10-T36 HydrophobicContact CD1-CG2 3.67Å; L10-L81 HydrophobicContact CD1-CD1 4.48Å; L10-L81 HydrophobicContact CD1-CD2 3.9Å; L10-L81 HydrophobicContact CD2-CD2 4Å; L10-F82 HydrophobicContact CD2-CE1 4.25Å; L10-F82 HydrophobicContact CD2-CE2 4.24Å; L10-F82 HydrophobicContact CD2-CZ 3.77Å; L10-I85 HydrophobicContact CB-CD1 4.41Å; L10-I85 HydrophobicContact CD1-CD1 4.41Å; L10-I85 HydrophobicContact CD2-CD1 4.13Å; L10-L93 HydrophobicContact CB-CD1 4.05Å; L10-I95 PolarHBondContact N-O 2.99Å; L10-V96 HydrophobicContact CB-CG2 4.31Å; L10-V96 HydrophobicContact CD2-CG1 4.22Å; L10-V96 HydrophobicContact CG-CG1 4.46Å; L10-V96 CarbonylContact O-C 3.56Å; L10-V96 WeakPolarHBondContact O-CA 3.31Å; L10-V97 PolarHBondContact O-N 2.59Å
11V98.9Very high95.4Very high0 Ų034.7 Ų34.70%019%0.191CC..EExtended strand (participates in β ladder)trans-120.5114.9172.7-175.30000109.5A14 I22 A23 L26 V33 Y34 T36 V97V11-A14 HydrophobicContact CB-CB 4.27Å; V11-A14 HydrophobicContact CG1-CB 4.08Å; V11-I22 HydrophobicContact CG1-CB 4.33Å; V11-I22 HydrophobicContact CG1-CG2 4.24Å; V11-I22 HydrophobicContact CG2-CG2 4.02Å; V11-A23 HydrophobicContact CB-CB 4.26Å; V11-A23 HydrophobicContact CG1-CB 4.38Å; V11-A23 HydrophobicContact CG2-CB 4.2Å; V11-L26 HydrophobicContact CG2-CD1 3.6Å; V11-V33 HydrophobicContact CG2-CG1 3.91Å; V11-Y34 PolarHBondContact N-O 2.85Å; V11-T36 PolarHBondContact O-N 2.96Å; V11-T36 PolarHBondContact O-OG1 3.25Å; V11-V97 HydrophobicContact CG1-CB 4.34Å; V11-V97 HydrophobicContact CG2-CB 4.25Å; V11-V97 HydrophobicContact CG2-CG2 4.29Å
12T98.7Very high96.5Very high0 Ų028.1 Ų28.10%016%0.159CC..THydrogen-bonded Turntrans-82.1134.8179.465.70000111.6L10 T36 H72 V97 N99 A100L10-T12 HydrophobicContact CD2-CG2 4.47Å; L10-T12 HydrophobicContact CG-CG2 4.32Å; T12-T36 WeakPolarHBondContact CA-OG1 3.05Å; T12-H72 WeakPolarHBondContact CG2-CE1 3.32Å; T12-V97 PolarHBondContact N-O 3.49Å; T12-V97 PolarHBondContact OG1-O 3.16Å; T12-N99 CarbonylContact O-C 3.56Å; T12-N99 VanDerWaalsContact O-CB 3.28Å; T12-N99 WeakPolarHBondContact O-CB 3.4Å; T12-N99 PolarHBondContact O-ND2 2.93Å; T12-N99 PolarHBondContact OG1-N 2.83Å; T12-A100 PolarHBondContact O-N 3.17Å; T12-A100 VanDerWaalsContact O-N 3.15Å; T12-A100 PolarHBondContact OG1-N 3.45Å
13G97.4Very high96.8Very high17 Ų1721.7 Ų21.718%0.17513%0.131CC..THydrogen-bonded Turntrans68.944.9-179.100000113.8T36 N99G13-T36 CarbonylContact C-O 3.45Å; G13-T36 VanDerWaalsContact CA-O 3.23Å; G13-T36 WeakPolarHBondContact CA-O 3.34Å; G13-T36 PolarHBondContact N-O 3.13Å; G13-N99 PolarHBondContact O-ND2 2.83Å; G13-N99 VanDerWaalsContact O-ND2 3.15Å
14A97.8Very high97.1Very high0 Ų016 Ų160%010%0.101CC..THydrogen-bonded Turntrans-87.44.9-173.400000115.1V11 R16 K20 A23 L35 T36 T54V11-A14 HydrophobicContact CB-CB 4.27Å; V11-A14 HydrophobicContact CG1-CB 4.08Å; A14-R16 VanDerWaalsContact C-N 3.29Å; A14-R16 PolarHBondContact O-N 2.72Å; A14-K20 WeakPolarHBondContact O-CA 3.48Å; A14-K20 WeakPolarHBondContact O-CB 3.09Å; A14-A23 HydrophobicContact CB-CB 4.06Å; A14-L35 HydrophobicContact CB-CB 3.58Å; A14-T36 PolarHBondContact N-O 3.18Å; A14-T54 PolarHBondContact O-OG1 3.04Å
15T95.4Very high97.1Very high8 Ų815.6 Ų15.65%0.04910%0.099CC..THydrogen-bonded Turntrans-68.2-27.8-177.454.60000113.4G49 S50 L51T15-G49 CarbonylContact O-C 3.45Å; T15-G49 WeakPolarHBondContact O-CA 3.46Å; T15-S50 PolarHBondContact O-N 2.83Å; T15-L51 HydrophobicContact CG2-CD2 3.65Å; T15-L51 HydrophobicContact CG2-CG 3.81Å
16R94.4Very high97.3Very high50 Ų5010.9 Ų10.919%0.1897%0.07CC..SBendtrans-159.4172.2-175.564.3-170.166.7855.5111.6A14 K20 T39 V47 G48 G49A14-R16 VanDerWaalsContact C-N 3.29Å; A14-R16 PolarHBondContact O-N 2.72Å; R16-K20 PolarHBondContact O-N 3.25Å; R16-T39 PolarHBondContact NH2-OG1 3.24Å; R16-V47 PolarHBondContact NE-O 2.68Å; R16-G48 WeakPolarHBondContact CD-O 3.44Å; R16-G48 PolarHBondContact NE-O 3.28Å; R16-G49 PolarHBondContact NH2-O 3.47Å
17G94.5Very high97.5Very high6 Ų69.1 Ų9.16%0.0625%0.051CC..Hα-helixtrans61.5-141.8170.400000113.2G19 K20 G21 E221 P242G17-G19 VanDerWaalsContact C-N 3.29Å; G17-G19 PolarHBondContact O-N 2.95Å; G17-K20 PolarHBondContact O-N 3.09Å; G17-G21 PolarHBondContact O-N 2.98Å; G17-E221 WeakPolarHBondContact CA-OE2 3.44Å; G17-E221 PolarHBondContact N-OE1 2.64Å; G17-E221 PolarHBondContact N-OE2 3.48Å; G17-P242 WeakPolarHBondContact O-CB 3.33Å
18I96.7Very high97.4Very high36 Ų3610.1 Ų10.119%0.1855%0.052CC..Hα-helixtrans-55.5-45.3-178.7-66.2162.2000110.9K20 G21 I22 N99 I169 P215 V218 T220 V245I18-K20 PolarHBondContact O-N 3.05Å; I18-G21 PolarHBondContact O-N 3.47Å; I18-I22 HydrophobicContact CG2-CD1 3.52Å; I18-I22 HydrophobicContact CG2-CG1 4.16Å; I18-I22 VanDerWaalsContact O-CG1 3.26Å; I18-I22 WeakPolarHBondContact O-CG1 3.49Å; I18-I22 PolarHBondContact O-N 3.41Å; I18-N99 WeakPolarHBondContact CG2-OD1 3.47Å; I18-I169 HydrophobicContact CG2-CG2 4.29Å; I18-P215 HydrophobicContact CD1-CB 4.47Å; I18-P215 HydrophobicContact CD1-CG 4.15Å; I18-V218 HydrophobicContact CD1-CB 4.27Å; I18-V218 HydrophobicContact CD1-CG2 3.99Å; I18-V218 HydrophobicContact CG1-CB 4.01Å; I18-V218 HydrophobicContact CG1-CG1 3.85Å; I18-V218 HydrophobicContact CG1-CG2 3.93Å; I18-T220 HydrophobicContact CG1-CG2 4.1Å; I18-V245 HydrophobicContact CG2-CB 4.2Å; I18-V245 HydrophobicContact CG2-CG1 4.08Å; I18-V245 HydrophobicContact CG2-CG2 4.16Å
19G97.8Very high97.3Very high0 Ų010.1 Ų10.10%05%0.053CC..Hα-helixtrans-59.5-44.2179.300000113.1G17 I22 A23 N99G17-G19 VanDerWaalsContact C-N 3.29Å; G17-G19 PolarHBondContact O-N 2.95Å; G19-I22 PolarHBondContact O-N 3.31Å; G19-A23 WeakPolarHBondContact O-CB 3.42Å; G19-A23 PolarHBondContact O-N 2.97Å; G19-N99 WeakPolarHBondContact CA-ND2 3.35Å; G19-N99 PolarHBondContact N-ND2 3Å; G19-N99 PolarHBondContact N-OD1 3.38Å
20K97.3Very high97.2Very high37 Ų3711.1 Ų11.116%0.1616%0.063CC..Hα-helixtrans-60.3-48.2174.5176.7171.6-178.41770111.2A14 R16 G17 I18 I22 A23 V24 E53 T54A14-K20 WeakPolarHBondContact O-CA 3.48Å; A14-K20 WeakPolarHBondContact O-CB 3.09Å; R16-K20 PolarHBondContact O-N 3.25Å; G17-K20 PolarHBondContact O-N 3.09Å; I18-K20 PolarHBondContact O-N 3.05Å; K20-I22 VanDerWaalsContact C-N 3.31Å; K20-I22 PolarHBondContact O-N 3.42Å; K20-A23 PolarHBondContact O-N 2.72Å; K20-V24 HydrophobicContact CG-CG2 4.36Å; K20-V24 WeakPolarHBondContact O-CB 3.48Å; K20-V24 VanDerWaalsContact O-CG2 3.27Å; K20-V24 WeakPolarHBondContact O-CG2 3.22Å; K20-V24 PolarHBondContact O-N 2.74Å; K20-E53 IonicContact NZ-OE2 3.14Å; K20-T54 HydrophobicContact CG-CG2 4Å
21G96.9Very high97.2Very high3 Ų311.1 Ų11.13%0.0316%0.063CC..Hα-helixtrans-60.8-38.3178.600000113.5G17 I18 S25G17-G21 PolarHBondContact O-N 2.98Å; I18-G21 PolarHBondContact O-N 3.47Å; G21-S25 WeakPolarHBondContact O-CB 3.2Å; G21-S25 PolarHBondContact O-N 3Å; G21-S25 PolarHBondContact O-OG 2.98Å
22I98.3Very high97.2Very high0 Ų012.2 Ų12.20%07%0.07CC..Hα-helixtrans-66.2-51.2175.1-65.4169000111.1V11 I18 G19 K20 V24 S25 L26 V97 I169 V245 I249V11-I22 HydrophobicContact CG1-CB 4.33Å; V11-I22 HydrophobicContact CG1-CG2 4.24Å; V11-I22 HydrophobicContact CG2-CG2 4.02Å; I18-I22 HydrophobicContact CG2-CD1 3.52Å; I18-I22 HydrophobicContact CG2-CG1 4.16Å; I18-I22 VanDerWaalsContact O-CG1 3.26Å; I18-I22 WeakPolarHBondContact O-CG1 3.49Å; I18-I22 PolarHBondContact O-N 3.41Å; G19-I22 PolarHBondContact O-N 3.31Å; K20-I22 VanDerWaalsContact C-N 3.31Å; K20-I22 PolarHBondContact O-N 3.42Å; I22-V24 VanDerWaalsContact C-N 3.32Å; I22-V24 PolarHBondContact O-N 3.16Å; I22-S25 PolarHBondContact O-N 3.05Å; I22-S25 VanDerWaalsContact O-N 3.16Å; I22-L26 HydrophobicContact CG2-CD1 3.84Å; I22-L26 HydrophobicContact CG2-CG 4.39Å; I22-L26 WeakPolarHBondContact O-CG 3.4Å; I22-L26 PolarHBondContact O-N 3.25Å; I22-V97 HydrophobicContact CD1-CG1 3.78Å; I22-V97 HydrophobicContact CG2-CB 4.33Å; I22-V97 HydrophobicContact CG2-CG1 4.1Å; I22-V97 HydrophobicContact CG2-CG2 3.95Å; I22-I169 HydrophobicContact CD1-CD1 3.76Å; I22-I169 HydrophobicContact CD1-CG1 4.04Å; I22-V245 HydrophobicContact CD1-CB 4.29Å; I22-V245 HydrophobicContact CD1-CG1 3.74Å; I22-V245 HydrophobicContact CG1-CB 4.03Å; I22-V245 HydrophobicContact CG1-CG1 3.97Å; I22-I249 HydrophobicContact CD1-CD1 3.8Å; I22-I249 HydrophobicContact CG1-CD1 4.03Å; I22-I249 HydrophobicContact CG2-CD1 3.92Å
23A98.5Very high97.2Very high0 Ų012.2 Ų12.20%07%0.07CC..Hα-helixtrans-58.7-44179.700000111.9V11 A14 G19 K20 S25 L26 G27 V33 L35 T54 I58V11-A23 HydrophobicContact CB-CB 4.26Å; V11-A23 HydrophobicContact CG1-CB 4.38Å; V11-A23 HydrophobicContact CG2-CB 4.2Å; A14-A23 HydrophobicContact CB-CB 4.06Å; G19-A23 WeakPolarHBondContact O-CB 3.42Å; G19-A23 PolarHBondContact O-N 2.97Å; K20-A23 PolarHBondContact O-N 2.72Å; A23-S25 PolarHBondContact O-N 3.31Å; A23-L26 PolarHBondContact O-N 3.38Å; A23-G27 PolarHBondContact O-N 2.98Å; A23-V33 HydrophobicContact CB-CG1 4.21Å; A23-L35 HydrophobicContact CB-CD2 4.22Å; A23-T54 HydrophobicContact CB-CG2 4.09Å; A23-I58 HydrophobicContact CB-CD1 4.05Å; A23-I58 WeakPolarHBondContact O-CD1 3.33Å
24V97.6Very high97.2Very high2 Ų211.4 Ų11.41%0.0126%0.062CC..Hα-helixtrans-61.5-43.5175.9168.80000111.6K20 I22 G27 K28 T54 I57 I58 E243K20-V24 HydrophobicContact CG-CG2 4.36Å; K20-V24 WeakPolarHBondContact O-CB 3.48Å; K20-V24 VanDerWaalsContact O-CG2 3.27Å; K20-V24 WeakPolarHBondContact O-CG2 3.22Å; K20-V24 PolarHBondContact O-N 2.74Å; I22-V24 VanDerWaalsContact C-N 3.32Å; I22-V24 PolarHBondContact O-N 3.16Å; V24-G27 PolarHBondContact O-N 2.73Å; V24-K28 HydrophobicContact CG1-CD 3.73Å; V24-K28 VanDerWaalsContact CG1-CE 3.48Å; V24-K28 HydrophobicContact CG1-CG 4.19Å; V24-K28 VanDerWaalsContact O-CB 3.3Å; V24-K28 WeakPolarHBondContact O-CB 3.35Å; V24-K28 VanDerWaalsContact O-CG 3.29Å; V24-K28 WeakPolarHBondContact O-CG 3.41Å; V24-K28 PolarHBondContact O-N 3.42Å; V24-T54 HydrophobicContact CG2-CG2 4.2Å; V24-I57 HydrophobicContact CB-CG2 4.37Å; V24-I57 HydrophobicContact CG1-CG2 3.71Å; V24-I57 HydrophobicContact CG2-CB 4.16Å; V24-I57 HydrophobicContact CG2-CD1 4.44Å; V24-I57 HydrophobicContact CG2-CG2 3.71Å; V24-I58 HydrophobicContact CG2-CG1 4.37Å; V24-E243 HydrophobicContact CG1-CG 4.35Å; V24-E243 WeakPolarHBondContact CG1-OE1 3.32Å
25S97.4Very high97.3Very high0 Ų011.4 Ų11.40%06%0.062CC..Hα-helixtrans-67.2-40.6-179.5-57.30000112.6G21 I22 A23 S29 E243G21-S25 WeakPolarHBondContact O-CB 3.2Å; G21-S25 PolarHBondContact O-N 3Å; G21-S25 PolarHBondContact O-OG 2.98Å; I22-S25 PolarHBondContact O-N 3.05Å; I22-S25 VanDerWaalsContact O-N 3.16Å; A23-S25 PolarHBondContact O-N 3.31Å; S25-S29 WeakPolarHBondContact O-CB 3.48Å; S25-S29 PolarHBondContact O-N 2.83Å; S25-S29 PolarHBondContact O-OG 3.26Å; S25-E243 PolarHBondContact OG-O 3.14Å; S25-E243 VanDerWaalsContact OG-O 3.09Å
26L98.1Very high97.4Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-63.2-46174.4-69.7168.1000110.7I4 C9 V11 I22 A23 S29 A31 V33 I95 V97 I249 V250I4-L26 HydrophobicContact CD1-CD2 3.63Å; C9-L26 HydrophobicContact CB-CD1 4.03Å; V11-L26 HydrophobicContact CG2-CD1 3.6Å; I22-L26 HydrophobicContact CG2-CD1 3.84Å; I22-L26 HydrophobicContact CG2-CG 4.39Å; I22-L26 WeakPolarHBondContact O-CG 3.4Å; I22-L26 PolarHBondContact O-N 3.25Å; A23-L26 PolarHBondContact O-N 3.38Å; L26-S29 CarbonylContact O-C 3.55Å; L26-S29 WeakPolarHBondContact O-CA 3.49Å; L26-S29 WeakPolarHBondContact O-CB 3.48Å; L26-S29 PolarHBondContact O-N 3.18Å; L26-S29 VanDerWaalsContact O-N 3.1Å; L26-A31 HydrophobicContact CB-CB 4.41Å; L26-A31 WeakPolarHBondContact O-CB 3.27Å; L26-A31 PolarHBondContact O-N 2.79Å; L26-V33 HydrophobicContact CB-CG2 3.86Å; L26-I95 HydrophobicContact CD2-CD1 4.13Å; L26-V97 HydrophobicContact CD1-CG2 4.42Å; L26-I249 HydrophobicContact CD2-CG2 4.37Å; L26-V250 HydrophobicContact CD2-CG2 3.89Å; L26-V250 HydrophobicContact CG-CG2 4.45Å
27G97.9Very high97.5Very high0 Ų09 Ų90%05%0.053CC..Hα-helixtrans-62.4-47.7177.900000113.3A23 V24 S29 G30 G63A23-G27 PolarHBondContact O-N 2.98Å; V24-G27 PolarHBondContact O-N 2.73Å; G27-S29 PolarHBondContact O-N 2.78Å; G27-G30 PolarHBondContact O-N 3.13Å; G27-G63 WeakPolarHBondContact O-CA 3.43Å; G27-G63 PolarHBondContact O-N 3.23Å
28K96.5Very high97.5Very high48 Ų4816.5 Ų16.521%0.2098%0.08CC..THydrogen-bonded Turntrans-59-16.4173.3-77.2176.2174.7170.90113.4M1 V24 F61 E243M1-K28 HydrophobicContact CE-CB 3.77Å; M1-K28 HydrophobicContact CE-CD 4.02Å; M1-K28 HydrophobicContact CE-CG 4.48Å; M1-K28 HydrophobicContact SD-CB 4.28Å; V24-K28 HydrophobicContact CG1-CD 3.73Å; V24-K28 VanDerWaalsContact CG1-CE 3.48Å; V24-K28 HydrophobicContact CG1-CG 4.19Å; V24-K28 VanDerWaalsContact O-CB 3.3Å; V24-K28 WeakPolarHBondContact O-CB 3.35Å; V24-K28 VanDerWaalsContact O-CG 3.29Å; V24-K28 WeakPolarHBondContact O-CG 3.41Å; V24-K28 PolarHBondContact O-N 3.42Å; K28-F61 HydrophobicContact CB-CB 4.4Å; K28-F61 HydrophobicContact CD-CD1 4.44Å; K28-F61 HydrophobicContact CD-CD2 4.43Å; K28-F61 HydrophobicContact CD-CG 4.28Å; K28-F61 HydrophobicContact CG-CB 3.58Å; K28-F61 HydrophobicContact CG-CD1 4.11Å; K28-F61 HydrophobicContact CG-CD2 4.1Å; K28-F61 HydrophobicContact CG-CG 3.68Å; K28-E243 VanDerWaalsContact NZ-CD 3.26Å; K28-E243 IonicContact NZ-OE1 3.7Å; K28-E243 PolarHBondContact NZ-OE1 3.2Å; K28-E243 IonicContact NZ-OE2 2.6Å; K28-E243 PolarHBondContact NZ-OE2 3.34Å
29S96.7Very high97.3Very high6 Ų615.9 Ų15.94%0.0428%0.078CC..THydrogen-bonded Turntrans-99.913.1177.4-53.40000112.7K2 I4 T5 S25 L26 G27 V250K2-S29 VanDerWaalsContact O-CB 3.27Å; K2-S29 WeakPolarHBondContact O-CB 3.23Å; K2-S29 PolarHBondContact O-OG 3.15Å; I4-S29 CarbonylContact C-O 3.59Å; I4-S29 VanDerWaalsContact CG1-O 3.29Å; I4-S29 WeakPolarHBondContact CG1-O 3.19Å; I4-S29 PolarHBondContact N-O 3.03Å; T5-S29 PolarHBondContact N-O 3.01Å; S25-S29 WeakPolarHBondContact O-CB 3.48Å; S25-S29 PolarHBondContact O-N 2.83Å; S25-S29 PolarHBondContact O-OG 3.26Å; L26-S29 CarbonylContact O-C 3.55Å; L26-S29 WeakPolarHBondContact O-CA 3.49Å; L26-S29 WeakPolarHBondContact O-CB 3.48Å; L26-S29 PolarHBondContact O-N 3.18Å; L26-S29 VanDerWaalsContact O-N 3.1Å; G27-S29 PolarHBondContact O-N 2.78Å; S29-V250 WeakPolarHBondContact OG-CG1 3.23Å
30G96.5Very high97Very high21 Ų2118.5 Ų18.522%0.21610%0.096CC..THydrogen-bonded Turntrans90.82.1172.600000115.7G27G27-G30 PolarHBondContact O-N 3.13Å
31A97.8Very high96.6Very high0 Ų021.1 Ų21.10%012%0.115CC..  trans-72154.5-177.700000113.2I4 C7 L26 V33 K64I4-A31 HydrophobicContact CD1-CB 3.87Å; I4-A31 HydrophobicContact CG1-CB 4.14Å; C7-A31 HydrophobicContact CB-CB 4.49Å; L26-A31 HydrophobicContact CB-CB 4.41Å; L26-A31 WeakPolarHBondContact O-CB 3.27Å; L26-A31 PolarHBondContact O-N 2.79Å; A31-V33 HydrophobicContact CB-CG2 3.96Å; A31-K64 PolarHBondContact O-N 3.36Å; A31-K64 VanDerWaalsContact O-N 3.11Å
32T98.6Very high96.1Very high23 Ų2324.1 Ų24.114%0.14113%0.134CC..EExtended strand (participates in β ladder)trans-82.4122.7156.7-63.90000108.1C7 V8 C9 K64 I66C7-T32 PolarHBondContact O-N 3.16Å; V8-T32 CarbonylContact C-O 3.59Å; V8-T32 WeakPolarHBondContact CA-O 3.26Å; C9-T32 PolarHBondContact N-O 3.04Å; T32-K64 CarbonylContact C-O 3.53Å; T32-K64 WeakPolarHBondContact CA-O 3.29Å; T32-K64 HydrophobicContact CG2-CB 4.4Å; T32-K64 HydrophobicContact CG2-CD 4.15Å; T32-K64 HydrophobicContact CG2-CG 4.31Å; T32-I66 HydrophobicContact CG2-CD1 3.65Å; T32-I66 HydrophobicContact CG2-CG1 4.29Å
33V98.8Very high95.4Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-122.7115.2-173.6-164.80000109.8C9 V11 A23 L26 A31 L35 K64 I66C9-V33 HydrophobicContact CB-CG1 4.27Å; C9-V33 HydrophobicContact CB-CG2 4.4Å; C9-V33 CarbonylContact O-C 3.2Å; C9-V33 WeakPolarHBondContact O-CA 3.45Å; V11-V33 HydrophobicContact CG2-CG1 3.91Å; A23-V33 HydrophobicContact CB-CG1 4.21Å; L26-V33 HydrophobicContact CB-CG2 3.86Å; A31-V33 HydrophobicContact CB-CG2 3.96Å; V33-L35 HydrophobicContact CB-CD2 3.71Å; V33-L35 HydrophobicContact CG1-CD2 3.61Å; V33-L35 WeakPolarHBondContact O-CD2 3.43Å; V33-L35 PolarHBondContact O-N 3.37Å; V33-K64 PolarHBondContact N-O 3.18Å; V33-I66 PolarHBondContact O-N 2.84Å
34Y98.9Very high94.5Very high0 Ų036.3 Ų36.30%021%0.21CC..EExtended strand (participates in β ladder)trans-75117.3161.6-73.3-97000108.4V8 C9 V11 I66 V68 I85 E88 Q89V8-Y34 HydrophobicContact CG1-CD2 4.27Å; V8-Y34 HydrophobicContact CG1-CE2 4.08Å; C9-Y34 PolarHBondContact O-N 2.96Å; V11-Y34 PolarHBondContact N-O 2.85Å; Y34-I66 WeakPolarHBondContact CA-O 3.43Å; Y34-I66 HydrophobicContact CD1-CB 3.92Å; Y34-I66 HydrophobicContact CD1-CG2 3.71Å; Y34-I66 HydrophobicContact CD2-CD1 4.4Å; Y34-I66 HydrophobicContact CE1-CB 3.97Å; Y34-I66 HydrophobicContact CE1-CD1 4Å; Y34-I66 HydrophobicContact CE1-CG2 3.48Å; Y34-I66 VanDerWaalsContact CE1-CG2 3.48Å; Y34-I66 HydrophobicContact CE2-CD1 3.76Å; Y34-I66 HydrophobicContact CG-CB 4.26Å; Y34-V68 HydrophobicContact CD1-CG2 3.89Å; Y34-V68 HydrophobicContact CE1-CG2 4.43Å; Y34-I85 HydrophobicContact CD1-CD1 4.33Å; Y34-I85 HydrophobicContact CD1-CG1 3.73Å; Y34-I85 HydrophobicContact CD2-CD1 4.32Å; Y34-I85 HydrophobicContact CD2-CG1 3.95Å; Y34-I85 HydrophobicContact CD2-CG2 4.4Å; Y34-I85 HydrophobicContact CE1-CG1 3.71Å; Y34-I85 HydrophobicContact CE2-CB 4.41Å; Y34-I85 HydrophobicContact CE2-CG1 3.94Å; Y34-I85 HydrophobicContact CE2-CG2 4Å; Y34-I85 HydrophobicContact CG-CD1 4.1Å; Y34-I85 HydrophobicContact CG-CG1 3.85Å; Y34-E88 WeakPolarHBondContact CE1-OE2 3.43Å; Y34-E88 VanDerWaalsContact OH-CB 3.27Å; Y34-E88 WeakPolarHBondContact OH-CB 3.47Å; Y34-E88 PolarHBondContact OH-OE2 3.21Å; Y34-Q89 HydrophobicContact CE2-CG 3.85Å; Y34-Q89 PolarHBondContact OH-NE2 3.09Å
35L98.4Very high93.5Very high0 Ų038.5 Ų38.50%023%0.233CC..EExtended strand (participates in β ladder)trans-109.8122.5177.64.5159.9000108A14 A23 V33 L51 T54 S55 I58 A65 I66 P67 V68A14-L35 HydrophobicContact CB-CB 3.58Å; A23-L35 HydrophobicContact CB-CD2 4.22Å; V33-L35 HydrophobicContact CB-CD2 3.71Å; V33-L35 HydrophobicContact CG1-CD2 3.61Å; V33-L35 WeakPolarHBondContact O-CD2 3.43Å; V33-L35 PolarHBondContact O-N 3.37Å; L35-L51 HydrophobicContact CB-CD2 4.17Å; L35-L51 WeakPolarHBondContact O-CD2 3.49Å; L35-T54 HydrophobicContact CD1-CG2 3.92Å; L35-S55 WeakPolarHBondContact CD1-OG 3.41Å; L35-I58 HydrophobicContact CD1-CD1 4.19Å; L35-I58 HydrophobicContact CD2-CD1 3.39Å; L35-I58 HydrophobicContact CG-CD1 4.46Å; L35-A65 HydrophobicContact CD1-CB 4.23Å; L35-A65 HydrophobicContact CD2-CB 4.21Å; L35-I66 PolarHBondContact N-O 3.4Å; L35-P67 WeakPolarHBondContact O-CA 3.32Å; L35-V68 PolarHBondContact O-N 3.19Å
36T98.6Very high92.6Very high0 Ų042.1 Ų42.10%027%0.271CS..EExtended strand (participates in β ladder)trans-118.5152.3-177.369.50000113.1L10 V11 T12 G13 A14 V68 V70 H72 L81L10-T36 HydrophobicContact CD1-CG2 3.67Å; V11-T36 PolarHBondContact O-N 2.96Å; V11-T36 PolarHBondContact O-OG1 3.25Å; T12-T36 WeakPolarHBondContact CA-OG1 3.05Å; G13-T36 CarbonylContact C-O 3.45Å; G13-T36 VanDerWaalsContact CA-O 3.23Å; G13-T36 WeakPolarHBondContact CA-O 3.34Å; G13-T36 PolarHBondContact N-O 3.13Å; A14-T36 PolarHBondContact N-O 3.18Å; T36-V68 VanDerWaalsContact CA-O 3.29Å; T36-V68 WeakPolarHBondContact CA-O 3.27Å; T36-V68 HydrophobicContact CG2-CB 4.3Å; T36-V70 HydrophobicContact CG2-CG2 4.02Å; T36-H72 PolarHBondContact OG1-NE2 3.37Å; T36-L81 HydrophobicContact CG2-CD1 3.71Å; T36-L81 HydrophobicContact CG2-CD2 3.74Å; T36-L81 HydrophobicContact CG2-CG 4.37Å
37G96.6Very high91.5Very high6 Ų643.7 Ų43.76%0.06228%0.28CS..EExtended strand (participates in β ladder)trans164.6179177.200000110.4A69 V70G37-A69 VanDerWaalsContact O-CA 3.31Å; G37-A69 WeakPolarHBondContact O-CA 3.42Å; G37-V70 CarbonylContact C-O 3.52Å; G37-V70 PolarHBondContact O-N 3.38Å
38R94.1Very high91Very high164 Ų16445.7 Ų45.762%0.61930%0.3SS*.SBendtrans-89.4-23.2-173.1-62.5177.5-63.9174.22113.8S40 D71R38-S40 PolarHBondContact O-N 3.08Å; R38-D71 HydrophobicContact CG-CB 4.34Å
39T91.4Very high90.7Very high23 Ų2343.6 Ų43.614%0.14129%0.293CS..  trans-97.392.9-173.7-50.60000110R16 V41 L43 S50 L51R16-T39 PolarHBondContact NH2-OG1 3.24Å; T39-V41 VanDerWaalsContact CG2-O 3.23Å; T39-V41 WeakPolarHBondContact CG2-O 3.48Å; T39-L43 HydrophobicContact CG2-CD1 3.94Å; T39-L43 HydrophobicContact CG2-CD2 4.48Å; T39-L43 HydrophobicContact CG2-CG 3.83Å; T39-S50 CarbonylContact O-C 3.54Å; T39-S50 WeakPolarHBondContact O-CA 3.4Å; T39-L51 PolarHBondContact O-N 3.5Å
40S91.4Very high90.6Very high56 Ų5643.3 Ų43.339%0.39229%0.291SS..  trans-68.4-48.5-179.2-54.90000112.6R38 L51 Q52R38-S40 PolarHBondContact O-N 3.08Å; S40-L51 PolarHBondContact O-N 2.87Å; S40-Q52 WeakPolarHBondContact O-CB 3.44Å; S40-Q52 PolarHBondContact O-N 3.39Å
41V89.6Confident90.6Very high91 Ų9142.4 Ų42.455%0.55228%0.281SS*.SBendtrans-112.6155.2-177.6-65.10000111.6T39 L43 S50T39-V41 VanDerWaalsContact CG2-O 3.23Å; T39-V41 WeakPolarHBondContact CG2-O 3.48Å; V41-L43 PolarHBondContact O-N 2.91Å; V41-S50 WeakPolarHBondContact O-CB 3.45Å
42P85.6Confident90.5Very high67 Ų6746.5 Ų46.544%0.43530%0.3SS..  trans-53.4138.2174.9-2534.2000111.6S50 E53P42-S50 WeakPolarHBondContact CD-OG 3.4Å; P42-E53 WeakPolarHBondContact CB-OE1 3.28Å; P42-E53 HydrophobicContact CG-CG 3.99Å; P42-E53 WeakPolarHBondContact CG-OE1 3.09Å
43L85.3Confident90.4Very high112 Ų11248.3 Ų48.359%0.58631%0.307SS*.  trans-97.3143.5174.3-61.2175.3000109.4T39 V41 G45T39-L43 HydrophobicContact CG2-CD1 3.94Å; T39-L43 HydrophobicContact CG2-CD2 4.48Å; T39-L43 HydrophobicContact CG2-CG 3.83Å; V41-L43 PolarHBondContact O-N 2.91Å; L43-G45 WeakPolarHBondContact CB-O 3.37Å; L43-G45 PolarHBondContact O-N 3.16Å
44S78.5Confident90.3Very high143 Ų14348.3 Ų48.3100%131%0.307SS*.SBendtrans-68.1-2.2177.6-36.80000114
45G76.6Confident90.2Very high49 Ų4948.5 Ų48.551%0.50531%0.308SS..SBendtrans-166.1172.1-179.100000112.5L43L43-G45 WeakPolarHBondContact CB-O 3.37Å; L43-G45 PolarHBondContact O-N 3.16Å
46G78.1Confident90.2Very high76 Ų7651.7 Ų51.778%0.78433%0.325SS*.SBendtrans86.4-167.8-173.500000112.8G48G46-G48 PolarHBondContact O-N 3.11Å
47V76.1Confident90.1Very high33 Ų3354.2 Ų54.220%0.234%0.338CS..SBendtrans-75.4113.9176.7-173.30000107.5R16 E221R16-V47 PolarHBondContact NE-O 2.68Å; V47-E221 HydrophobicContact CG1-CB 3.55Å
48G86.2Confident90.1Very high41 Ų4153.9 Ų53.942%0.42334%0.335SS..  trans-56.6178.1-173.700000114.5R16 G46R16-G48 WeakPolarHBondContact CD-O 3.44Å; R16-G48 PolarHBondContact NE-O 3.28Å; G46-G48 PolarHBondContact O-N 3.11Å
49G90.5Very high90.2Very high5 Ų549.8 Ų49.85%0.05233%0.325CS..  trans105131.3-176.300000113T15 R16 E53T15-G49 CarbonylContact O-C 3.45Å; T15-G49 WeakPolarHBondContact O-CA 3.46Å; R16-G49 PolarHBondContact NH2-O 3.47Å; G49-E53 WeakPolarHBondContact CA-OE2 3.4Å; G49-E53 PolarHBondContact N-OE2 2.83Å
50S94.9Very high90.5Very high0 Ų055.2 Ų55.20%035%0.353CS..  trans-142.9167.6173.964.10000111.3T15 T39 V41 P42 Q52 E53 T54T15-S50 PolarHBondContact O-N 2.83Å; T39-S50 CarbonylContact O-C 3.54Å; T39-S50 WeakPolarHBondContact O-CA 3.4Å; V41-S50 WeakPolarHBondContact O-CB 3.45Å; P42-S50 WeakPolarHBondContact CD-OG 3.4Å; S50-Q52 VanDerWaalsContact C-N 3.28Å; S50-E53 PolarHBondContact N-OE2 3.03Å; S50-E53 WeakPolarHBondContact OG-CG 3.41Å; S50-E53 PolarHBondContact OG-N 3.19Å; S50-E53 VanDerWaalsContact OG-N 3.15Å; S50-T54 PolarHBondContact O-N 2.88Å; S50-T54 PolarHBondContact O-OG1 3.1Å
51L96.6Very high90.5Very high2 Ų258.6 Ų58.61%0.0136%0.361CS..Hα-helixtrans-63.1-38.3171.4-65.3-179.5000111.2T15 L35 T39 S40 T54 S55 P67 V68T15-L51 HydrophobicContact CG2-CD2 3.65Å; T15-L51 HydrophobicContact CG2-CG 3.81Å; L35-L51 HydrophobicContact CB-CD2 4.17Å; L35-L51 WeakPolarHBondContact O-CD2 3.49Å; T39-L51 PolarHBondContact O-N 3.5Å; S40-L51 PolarHBondContact O-N 2.87Å; L51-T54 PolarHBondContact O-N 2.94Å; L51-S55 VanDerWaalsContact O-CB 3.31Å; L51-S55 WeakPolarHBondContact O-CB 3.26Å; L51-S55 PolarHBondContact O-N 3.26Å; L51-S55 PolarHBondContact O-OG 3.5Å; L51-P67 HydrophobicContact CB-CB 3.73Å; L51-P67 HydrophobicContact CD1-CB 4.22Å; L51-P67 HydrophobicContact CG-CB 4.49Å; L51-V68 WeakPolarHBondContact CD1-O 3.26Å
52Q96.3Very high90.3Very high86 Ų8657.4 Ų57.440%0.40237%0.367SS..Hα-helixtrans-60.1-53.4177.1-172.663.249.400111.5S40 S50 T54 S55 D56S40-Q52 WeakPolarHBondContact O-CB 3.44Å; S40-Q52 PolarHBondContact O-N 3.39Å; S50-Q52 VanDerWaalsContact C-N 3.28Å; Q52-T54 VanDerWaalsContact C-N 3.26Å; Q52-T54 PolarHBondContact O-N 2.76Å; Q52-S55 WeakPolarHBondContact O-CA 3.47Å; Q52-S55 WeakPolarHBondContact O-CB 3.45Å; Q52-S55 PolarHBondContact O-N 2.93Å; Q52-D56 PolarHBondContact NE2-OD1 3.49Å; Q52-D56 PolarHBondContact O-N 3.05Å
53E95.5Very high90.7Very high61 Ų6154.6 Ų54.629%0.28535%0.351SS..Hα-helixtrans-57.3-41.2179.4-75.8167-159.600112.5K20 P42 G49 S50 S55 I57K20-E53 IonicContact NZ-OE2 3.14Å; P42-E53 WeakPolarHBondContact CB-OE1 3.28Å; P42-E53 HydrophobicContact CG-CG 3.99Å; P42-E53 WeakPolarHBondContact CG-OE1 3.09Å; G49-E53 WeakPolarHBondContact CA-OE2 3.4Å; G49-E53 PolarHBondContact N-OE2 2.83Å; S50-E53 PolarHBondContact N-OE2 3.03Å; S50-E53 WeakPolarHBondContact OG-CG 3.41Å; S50-E53 PolarHBondContact OG-N 3.19Å; S50-E53 VanDerWaalsContact OG-N 3.15Å; E53-S55 VanDerWaalsContact C-N 3.35Å; E53-I57 WeakPolarHBondContact O-CG1 3.39Å; E53-I57 PolarHBondContact O-N 3.17Å
54T97.1Very high91.4Very high0 Ų054.8 Ų54.80%035%0.347CS..Hα-helixtrans-69.4-38179.3-53.50000110.9A14 K20 A23 V24 L35 S50 L51 Q52 I57 I58A14-T54 PolarHBondContact O-OG1 3.04Å; K20-T54 HydrophobicContact CG-CG2 4Å; A23-T54 HydrophobicContact CB-CG2 4.09Å; V24-T54 HydrophobicContact CG2-CG2 4.2Å; L35-T54 HydrophobicContact CD1-CG2 3.92Å; S50-T54 PolarHBondContact O-N 2.88Å; S50-T54 PolarHBondContact O-OG1 3.1Å; L51-T54 PolarHBondContact O-N 2.94Å; Q52-T54 VanDerWaalsContact C-N 3.26Å; Q52-T54 PolarHBondContact O-N 2.76Å; T54-I57 PolarHBondContact O-N 3.25Å; T54-I58 HydrophobicContact CG2-CD1 4.13Å; T54-I58 WeakPolarHBondContact O-CG1 3.41Å; T54-I58 PolarHBondContact O-N 3.17Å; T54-I58 VanDerWaalsContact O-N 3.12Å
55S97.7Very high92.3Very high3 Ų348.6 Ų48.62%0.02131%0.305CS..Hα-helixtrans-64.1-44.8176-59.30000111.8L35 L51 Q52 E53 I57 I58 N59L35-S55 WeakPolarHBondContact CD1-OG 3.41Å; L51-S55 VanDerWaalsContact O-CB 3.31Å; L51-S55 WeakPolarHBondContact O-CB 3.26Å; L51-S55 PolarHBondContact O-N 3.26Å; L51-S55 PolarHBondContact O-OG 3.5Å; Q52-S55 WeakPolarHBondContact O-CA 3.47Å; Q52-S55 WeakPolarHBondContact O-CB 3.45Å; Q52-S55 PolarHBondContact O-N 2.93Å; E53-S55 VanDerWaalsContact C-N 3.35Å; S55-I57 VanDerWaalsContact C-N 3.32Å; S55-I57 PolarHBondContact O-N 3.41Å; S55-I58 PolarHBondContact O-N 3.4Å; S55-N59 WeakPolarHBondContact O-CB 3.45Å; S55-N59 VanDerWaalsContact O-CG 3.23Å; S55-N59 PolarHBondContact O-N 3.48Å; S55-N59 PolarHBondContact O-ND2 3.18Å
56D97.2Very high93.4Very high68 Ų6847.4 Ų47.436%0.36429%0.286SS..Hα-helixtrans-60.4-43.7179.7-65.2-22.4000110.8Q52 N60Q52-D56 PolarHBondContact NE2-OD1 3.49Å; Q52-D56 PolarHBondContact O-N 3.05Å; D56-N60 VanDerWaalsContact O-CB 3.26Å; D56-N60 WeakPolarHBondContact O-CB 3.4Å; D56-N60 PolarHBondContact O-N 3.08Å; D56-N60 PolarHBondContact O-ND2 3.36Å; D56-N60 VanDerWaalsContact O-ND2 3.09Å
57I96.4Very high94.3Very high52 Ų5246.6 Ų46.627%0.26727%0.267SS..Hα-helixtrans-59-53.7174.3-64164.5000109.9V24 E53 T54 S55 N59 N60 F61V24-I57 HydrophobicContact CB-CG2 4.37Å; V24-I57 HydrophobicContact CG1-CG2 3.71Å; V24-I57 HydrophobicContact CG2-CB 4.16Å; V24-I57 HydrophobicContact CG2-CD1 4.44Å; V24-I57 HydrophobicContact CG2-CG2 3.71Å; E53-I57 WeakPolarHBondContact O-CG1 3.39Å; E53-I57 PolarHBondContact O-N 3.17Å; T54-I57 PolarHBondContact O-N 3.25Å; S55-I57 VanDerWaalsContact C-N 3.32Å; S55-I57 PolarHBondContact O-N 3.41Å; I57-N59 PolarHBondContact O-N 3.24Å; I57-N60 PolarHBondContact O-N 3.02Å; I57-F61 HydrophobicContact CG2-CD2 4.08Å; I57-F61 HydrophobicContact CG2-CE2 4.18Å; I57-F61 VanDerWaalsContact O-CD2 3.26Å; I57-F61 WeakPolarHBondContact O-CD2 3.43Å; I57-F61 PolarHBondContact O-N 3.2Å
58I97.5Very high95.4Very high0 Ų045.8 Ų45.80%026%0.263CS..Hα-helixtrans-58.2-47.5-176.7-72164.8000111.9A23 V24 L35 T54 S55 N60 F61 G62 G63 A65A23-I58 HydrophobicContact CB-CD1 4.05Å; A23-I58 WeakPolarHBondContact O-CD1 3.33Å; V24-I58 HydrophobicContact CG2-CG1 4.37Å; L35-I58 HydrophobicContact CD1-CD1 4.19Å; L35-I58 HydrophobicContact CD2-CD1 3.39Å; L35-I58 HydrophobicContact CG-CD1 4.46Å; T54-I58 HydrophobicContact CG2-CD1 4.13Å; T54-I58 WeakPolarHBondContact O-CG1 3.41Å; T54-I58 PolarHBondContact O-N 3.17Å; T54-I58 VanDerWaalsContact O-N 3.12Å; S55-I58 PolarHBondContact O-N 3.4Å; I58-N60 VanDerWaalsContact C-N 3.33Å; I58-N60 PolarHBondContact O-N 3.17Å; I58-F61 PolarHBondContact O-N 3.42Å; I58-F61 VanDerWaalsContact O-N 3.17Å; I58-G62 PolarHBondContact O-N 3.13Å; I58-G63 PolarHBondContact O-N 2.63Å; I58-A65 HydrophobicContact CB-CB 3.91Å; I58-A65 HydrophobicContact CD1-CB 4.23Å; I58-A65 HydrophobicContact CG2-CB 3.78Å
59N96.7Very high95.9Very high77 Ų7746.7 Ų46.741%0.41227%0.266SS..Hα-helixtrans-65.1-37.6-178-67-25.1000111.5S55 I57 F61 G62 G63 A65S55-N59 WeakPolarHBondContact O-CB 3.45Å; S55-N59 VanDerWaalsContact O-CG 3.23Å; S55-N59 PolarHBondContact O-N 3.48Å; S55-N59 PolarHBondContact O-ND2 3.18Å; I57-N59 PolarHBondContact O-N 3.24Å; N59-F61 PolarHBondContact O-N 3.21Å; N59-G62 PolarHBondContact O-N 3.46Å; N59-G63 PolarHBondContact OD1-O 3.14Å; N59-A65 WeakPolarHBondContact OD1-CB 3.32Å; N59-A65 PolarHBondContact OD1-N 2.74Å
60N95.9Very high96.3Very high137 Ų13746.6 Ų46.673%0.73326%0.264SS*.Hα-helixtrans-66.2-20.9176.7-73.9-21.6000113.7D56 I57 I58D56-N60 VanDerWaalsContact O-CB 3.26Å; D56-N60 WeakPolarHBondContact O-CB 3.4Å; D56-N60 PolarHBondContact O-N 3.08Å; D56-N60 PolarHBondContact O-ND2 3.36Å; D56-N60 VanDerWaalsContact O-ND2 3.09Å; I57-N60 PolarHBondContact O-N 3.02Å; I58-N60 VanDerWaalsContact C-N 3.33Å; I58-N60 PolarHBondContact O-N 3.17Å
61F92.4Very high96.4Very high127 Ų12748.6 Ų48.656%0.55728%0.275SS*.THydrogen-bonded Turntrans-10214.2176.4-75.4-83.9000113.4K28 I57 I58 N59 G63K28-F61 HydrophobicContact CB-CB 4.4Å; K28-F61 HydrophobicContact CD-CD1 4.44Å; K28-F61 HydrophobicContact CD-CD2 4.43Å; K28-F61 HydrophobicContact CD-CG 4.28Å; K28-F61 HydrophobicContact CG-CB 3.58Å; K28-F61 HydrophobicContact CG-CD1 4.11Å; K28-F61 HydrophobicContact CG-CD2 4.1Å; K28-F61 HydrophobicContact CG-CG 3.68Å; I57-F61 HydrophobicContact CG2-CD2 4.08Å; I57-F61 HydrophobicContact CG2-CE2 4.18Å; I57-F61 VanDerWaalsContact O-CD2 3.26Å; I57-F61 WeakPolarHBondContact O-CD2 3.43Å; I57-F61 PolarHBondContact O-N 3.2Å; I58-F61 PolarHBondContact O-N 3.42Å; I58-F61 VanDerWaalsContact O-N 3.17Å; N59-F61 PolarHBondContact O-N 3.21Å; F61-G63 PolarHBondContact O-N 2.86Å
62G85.4Confident96.5Very high66 Ų6648.9 Ų48.968%0.6828%0.276SS*.THydrogen-bonded Turntrans84.7117300000115.7I58 N59I58-G62 PolarHBondContact O-N 3.13Å; N59-G62 PolarHBondContact O-N 3.46Å
63G94.8Very high96.5Very high9 Ų947.2 Ų47.29%0.09327%0.274CS..  trans-76.8172.7167.300000111.7G27 I58 N59 F61G27-G63 WeakPolarHBondContact O-CA 3.43Å; G27-G63 PolarHBondContact O-N 3.23Å; I58-G63 PolarHBondContact O-N 2.63Å; N59-G63 PolarHBondContact OD1-O 3.14Å; F61-G63 PolarHBondContact O-N 2.86Å
64K98.2Very high96.6Very high116 Ų11647.1 Ų47.150%0.50428%0.276SS..EExtended strand (participates in β ladder)trans-114.3109.9173.4-178.6178.8179.2-178.90110.4A31 T32 V33A31-K64 PolarHBondContact O-N 3.36Å; A31-K64 VanDerWaalsContact O-N 3.11Å; T32-K64 CarbonylContact C-O 3.53Å; T32-K64 WeakPolarHBondContact CA-O 3.29Å; T32-K64 HydrophobicContact CG2-CB 4.4Å; T32-K64 HydrophobicContact CG2-CD 4.15Å; T32-K64 HydrophobicContact CG2-CG 4.31Å; V33-K64 PolarHBondContact N-O 3.18Å
65A98.5Very high96.7Very high13 Ų1350.8 Ų50.811%0.10729%0.293CS..EExtended strand (participates in β ladder)trans-88.6134.8175.300000111.7L35 I58 N59L35-A65 HydrophobicContact CD1-CB 4.23Å; L35-A65 HydrophobicContact CD2-CB 4.21Å; I58-A65 HydrophobicContact CB-CB 3.91Å; I58-A65 HydrophobicContact CD1-CB 4.23Å; I58-A65 HydrophobicContact CG2-CB 3.78Å; N59-A65 WeakPolarHBondContact OD1-CB 3.32Å; N59-A65 PolarHBondContact OD1-N 2.74Å
66I98.5Very high96.7Very high23 Ų2355.4 Ų55.412%0.11832%0.317CS..EExtended strand (participates in β ladder)trans-123.992.5171.4-55.2176.1000107.8T32 V33 Y34 L35 V68T32-I66 HydrophobicContact CG2-CD1 3.65Å; T32-I66 HydrophobicContact CG2-CG1 4.29Å; V33-I66 PolarHBondContact O-N 2.84Å; Y34-I66 WeakPolarHBondContact CA-O 3.43Å; Y34-I66 HydrophobicContact CD1-CB 3.92Å; Y34-I66 HydrophobicContact CD1-CG2 3.71Å; Y34-I66 HydrophobicContact CD2-CD1 4.4Å; Y34-I66 HydrophobicContact CE1-CB 3.97Å; Y34-I66 HydrophobicContact CE1-CD1 4Å; Y34-I66 HydrophobicContact CE1-CG2 3.48Å; Y34-I66 VanDerWaalsContact CE1-CG2 3.48Å; Y34-I66 HydrophobicContact CE2-CD1 3.76Å; Y34-I66 HydrophobicContact CG-CB 4.26Å; L35-I66 PolarHBondContact N-O 3.4Å; I66-V68 HydrophobicContact CG2-CG2 4.26Å
67P98.5Very high96.8Very high60 Ų6055.5 Ų55.539%0.3932%0.315SS..EExtended strand (participates in β ladder)trans-72.5130.9178.129-33.3000110.7L35 L51L35-P67 WeakPolarHBondContact O-CA 3.32Å; L51-P67 HydrophobicContact CB-CB 3.73Å; L51-P67 HydrophobicContact CD1-CB 4.22Å; L51-P67 HydrophobicContact CG-CB 4.49Å
68V98.5Very high96.9Very high16 Ų1653 Ų5310%0.09730%0.303CS..EExtended strand (participates in β ladder)trans-131.3121.3174.6-1700000109.6Y34 L35 T36 L51 I66 V70 L81Y34-V68 HydrophobicContact CD1-CG2 3.89Å; Y34-V68 HydrophobicContact CE1-CG2 4.43Å; L35-V68 PolarHBondContact O-N 3.19Å; T36-V68 VanDerWaalsContact CA-O 3.29Å; T36-V68 WeakPolarHBondContact CA-O 3.27Å; T36-V68 HydrophobicContact CG2-CB 4.3Å; L51-V68 WeakPolarHBondContact CD1-O 3.26Å; I66-V68 HydrophobicContact CG2-CG2 4.26Å; V68-V70 HydrophobicContact CB-CG2 4.31Å; V68-V70 HydrophobicContact CG1-CG2 3.84Å; V68-V70 PolarHBondContact O-N 2.71Å; V68-L81 HydrophobicContact CB-CD1 3.99Å; V68-L81 HydrophobicContact CG1-CD1 3.99Å; V68-L81 HydrophobicContact CG2-CD1 4.08Å
69A98Very high96.9Very high59 Ų5956.3 Ų56.349%0.48832%0.317SS..EExtended strand (participates in β ladder)trans-70.1118.417500000109.5G37G37-A69 VanDerWaalsContact O-CA 3.31Å; G37-A69 WeakPolarHBondContact O-CA 3.42Å
70V98.2Very high97Very high3 Ų357.4 Ų57.42%0.01832%0.323CS..  trans-143.2125.5-178.3-178.50000109.5T36 G37 V68 E77 I78 L81T36-V70 HydrophobicContact CG2-CG2 4.02Å; G37-V70 CarbonylContact C-O 3.52Å; G37-V70 PolarHBondContact O-N 3.38Å; V68-V70 HydrophobicContact CB-CG2 4.31Å; V68-V70 HydrophobicContact CG1-CG2 3.84Å; V68-V70 PolarHBondContact O-N 2.71Å; V70-E77 HydrophobicContact CG1-CB 4.18Å; V70-I78 HydrophobicContact CG1-CG1 4.37Å; V70-L81 HydrophobicContact CG2-CB 4.17Å; V70-L81 HydrophobicContact CG2-CD1 4.31Å; V70-L81 HydrophobicContact CG2-CD2 4.29Å; V70-L81 HydrophobicContact CG2-CG 4.49Å
71D97.6Very high97.2Very high42 Ų4251 Ų5123%0.22529%0.288CS..  trans-83.8104.9160.2-163.3-33.2000110.1R38 S73 N74 E77R38-D71 HydrophobicContact CG-CB 4.34Å; D71-S73 VanDerWaalsContact CG-OG 3.22Å; D71-S73 PolarHBondContact O-N 3.14Å; D71-S73 WeakPolarHBondContact OD1-CB 3.42Å; D71-S73 PolarHBondContact OD1-N 3.28Å; D71-S73 PolarHBondContact OD1-OG 3.24Å; D71-N74 HydrophobicContact CB-CB 4.4Å; D71-N74 WeakPolarHBondContact O-CB 3.42Å; D71-N74 PolarHBondContact O-N 2.72Å; D71-E77 PolarHBondContact N-OE2 3.39Å
72H97.8Very high97.5Very high8 Ų845.3 Ų45.34%0.03726%0.263CS..THydrogen-bonded Turntrans-69.87.7177.2-79.7-72000114.4T12 T36 A100 T133 N137T12-H72 WeakPolarHBondContact CG2-CE1 3.32Å; T36-H72 PolarHBondContact OG1-NE2 3.37Å; H72-A100 HydrophobicContact CB-CB 4.05Å; H72-T133 HydrophobicContact CB-CG2 3.82Å; H72-N137 HydrophobicContact CB-CB 4.35Å; H72-N137 PolarHBondContact ND1-OD1 3.15Å; H72-N137 WeakPolarHBondContact O-CB 3.22Å
73S96.5Very high98.1Very high52 Ų5247.9 Ų47.936%0.36426%0.258SS..THydrogen-bonded Turntrans-92.2-12.816368.10000113D71D71-S73 VanDerWaalsContact CG-OG 3.22Å; D71-S73 PolarHBondContact O-N 3.14Å; D71-S73 WeakPolarHBondContact OD1-CB 3.42Å; D71-S73 PolarHBondContact OD1-N 3.28Å; D71-S73 PolarHBondContact OD1-OG 3.24Å
74N97.8Very high98.3Very high59 Ų5949.6 Ų49.632%0.31626%0.263SS..  trans-103.5112.5-178.3-175.1-16.3000110.9D71 D76 E77 I78D71-N74 HydrophobicContact CB-CB 4.4Å; D71-N74 WeakPolarHBondContact O-CB 3.42Å; D71-N74 PolarHBondContact O-N 2.72Å; N74-D76 VanDerWaalsContact C-N 3.31Å; N74-D76 PolarHBondContact O-N 3.2Å; N74-D76 PolarHBondContact OD1-N 3.45Å; N74-E77 HydrophobicContact CB-CB 4.17Å; N74-E77 HydrophobicContact CB-CG 4.16Å; N74-E77 PolarHBondContact ND2-OE1 3.09Å; N74-E77 PolarHBondContact O-N 2.87Å; N74-I78 WeakPolarHBondContact O-CG1 3.29Å; N74-I78 PolarHBondContact O-N 2.79Å
75E97.8Very high98.3Very high77 Ų7744.1 Ų44.136%0.3624%0.239SC..Hα-helixtrans-64.3-33.4-177.8-171.4176.9139.600113.2I78 K79 I140E75-I78 PolarHBondContact O-N 3.01Å; E75-K79 HydrophobicContact CG-CD 4.48Å; E75-K79 WeakPolarHBondContact O-CG 3.35Å; E75-K79 PolarHBondContact O-N 3.24Å; E75-K79 WeakPolarHBondContact OE1-CE 3.45Å; E75-K79 IonicContact OE1-NZ 2.72Å; E75-K79 PolarHBondContact OE1-NZ 2.87Å; E75-I140 HydrophobicContact CB-CD1 4.43Å; E75-I140 HydrophobicContact CG-CD1 4.09Å; E75-I140 HydrophobicContact CG-CG2 4.3Å
76D98.6Very high98.3Very high100 Ų10046.9 Ų46.954%0.53525%0.253SS..Hα-helixtrans-71.7-37.3-179-67.1-30.2000111.5N74 I78 K79 N80N74-D76 VanDerWaalsContact C-N 3.31Å; N74-D76 PolarHBondContact O-N 3.2Å; N74-D76 PolarHBondContact OD1-N 3.45Å; D76-I78 VanDerWaalsContact C-N 3.32Å; D76-I78 PolarHBondContact O-N 2.73Å; D76-K79 PolarHBondContact O-N 3.41Å; D76-K79 IonicContact OD1-NZ 2.84Å; D76-N80 WeakPolarHBondContact O-CB 3.36Å; D76-N80 PolarHBondContact O-N 3.08Å; D76-N80 PolarHBondContact O-ND2 3.18Å
77E98.6Very high98.3Very high69 Ų6953.5 Ų53.532%0.32228%0.276SS..Hα-helixtrans-64-38.9171.6-72.4-179.1-128.800111.7V70 D71 N74 N80 L81V70-E77 HydrophobicContact CG1-CB 4.18Å; D71-E77 PolarHBondContact N-OE2 3.39Å; N74-E77 HydrophobicContact CB-CB 4.17Å; N74-E77 HydrophobicContact CB-CG 4.16Å; N74-E77 PolarHBondContact ND2-OE1 3.09Å; N74-E77 PolarHBondContact O-N 2.87Å; E77-N80 PolarHBondContact O-N 3.34Å; E77-L81 PolarHBondContact O-N 3.45Å
78I98.7Very high98.3Very high1 Ų154.4 Ų54.41%0.00528%0.275CS..Hα-helixtrans-63.3-46174.5-61.3161000110.3V70 N74 E75 D76 N80 L81 F82 N137 I140 L144V70-I78 HydrophobicContact CG1-CG1 4.37Å; N74-I78 WeakPolarHBondContact O-CG1 3.29Å; N74-I78 PolarHBondContact O-N 2.79Å; E75-I78 PolarHBondContact O-N 3.01Å; D76-I78 VanDerWaalsContact C-N 3.32Å; D76-I78 PolarHBondContact O-N 2.73Å; I78-N80 VanDerWaalsContact C-N 3.33Å; I78-N80 PolarHBondContact O-N 3.02Å; I78-L81 WeakPolarHBondContact O-CB 3.3Å; I78-L81 PolarHBondContact O-N 3.43Å; I78-F82 HydrophobicContact CG2-CD2 4.05Å; I78-F82 HydrophobicContact CG2-CE2 3.92Å; I78-F82 WeakPolarHBondContact O-CD2 3.5Å; I78-F82 PolarHBondContact O-N 2.84Å; I78-N137 HydrophobicContact CD1-CB 4.16Å; I78-N137 WeakPolarHBondContact CD1-OD1 3.31Å; I78-I140 HydrophobicContact CB-CG2 4.44Å; I78-I140 HydrophobicContact CD1-CG2 4.38Å; I78-I140 HydrophobicContact CG2-CG2 3.84Å; I78-L144 HydrophobicContact CG2-CD1 3.95Å
79K98.7Very high98.3Very high69 Ų6955.5 Ų55.530%0.328%0.279SS..Hα-helixtrans-59.5-44176.4-73.1168.4-175.7154.80111.9E75 D76 L81 F82 H83 L144E75-K79 HydrophobicContact CG-CD 4.48Å; E75-K79 WeakPolarHBondContact O-CG 3.35Å; E75-K79 PolarHBondContact O-N 3.24Å; E75-K79 WeakPolarHBondContact OE1-CE 3.45Å; E75-K79 IonicContact OE1-NZ 2.72Å; E75-K79 PolarHBondContact OE1-NZ 2.87Å; D76-K79 PolarHBondContact O-N 3.41Å; D76-K79 IonicContact OD1-NZ 2.84Å; K79-L81 VanDerWaalsContact C-N 3.32Å; K79-L81 PolarHBondContact O-N 3.26Å; K79-F82 PolarHBondContact O-N 2.9Å; K79-F82 VanDerWaalsContact O-N 3.16Å; K79-H83 PolarHBondContact O-N 2.83Å; K79-L144 HydrophobicContact CG-CD1 4.28Å
80N98.7Very high98.2Very high99 Ų9961.2 Ų61.253%0.52929%0.293SS..Hα-helixtrans-61.7-39178.4-72.6-26.1000112.4D76 E77 I78 H83 Q84D76-N80 WeakPolarHBondContact O-CB 3.36Å; D76-N80 PolarHBondContact O-N 3.08Å; D76-N80 PolarHBondContact O-ND2 3.18Å; E77-N80 PolarHBondContact O-N 3.34Å; I78-N80 VanDerWaalsContact C-N 3.33Å; I78-N80 PolarHBondContact O-N 3.02Å; N80-H83 PolarHBondContact O-N 3.45Å; N80-Q84 WeakPolarHBondContact O-CB 3.35Å; N80-Q84 PolarHBondContact O-N 3.19Å
81L98.8Very high98.2Very high2 Ų261.1 Ų61.11%0.0129%0.292CS..Hα-helixtrans-57.5-49.7171.8169.372.4000111.5L10 T36 V68 V70 E77 I78 K79 H83 Q84 I85L10-L81 HydrophobicContact CD1-CD1 4.48Å; L10-L81 HydrophobicContact CD1-CD2 3.9Å; L10-L81 HydrophobicContact CD2-CD2 4Å; T36-L81 HydrophobicContact CG2-CD1 3.71Å; T36-L81 HydrophobicContact CG2-CD2 3.74Å; T36-L81 HydrophobicContact CG2-CG 4.37Å; V68-L81 HydrophobicContact CB-CD1 3.99Å; V68-L81 HydrophobicContact CG1-CD1 3.99Å; V68-L81 HydrophobicContact CG2-CD1 4.08Å; V70-L81 HydrophobicContact CG2-CB 4.17Å; V70-L81 HydrophobicContact CG2-CD1 4.31Å; V70-L81 HydrophobicContact CG2-CD2 4.29Å; V70-L81 HydrophobicContact CG2-CG 4.49Å; E77-L81 PolarHBondContact O-N 3.45Å; I78-L81 WeakPolarHBondContact O-CB 3.3Å; I78-L81 PolarHBondContact O-N 3.43Å; K79-L81 VanDerWaalsContact C-N 3.32Å; K79-L81 PolarHBondContact O-N 3.26Å; L81-H83 PolarHBondContact O-N 3.19Å; L81-Q84 WeakPolarHBondContact O-CB 3.29Å; L81-Q84 PolarHBondContact O-N 3.24Å; L81-Q84 VanDerWaalsContact O-N 3.16Å; L81-I85 HydrophobicContact CD1-CD1 4.12Å; L81-I85 HydrophobicContact CD1-CG1 4.4Å; L81-I85 HydrophobicContact CG-CD1 4.09Å; L81-I85 WeakPolarHBondContact O-CG1 3.16Å; L81-I85 PolarHBondContact O-N 2.84Å
82F98.8Very high98.2Very high8 Ų862.7 Ų62.74%0.03530%0.295CS..Hα-helixtrans-65.4-38.5179.9-81.5-86.3000112.4L10 I78 K79 Q84 I85 D86 L93 C141 L144 A145 M148L10-F82 HydrophobicContact CD2-CE1 4.25Å; L10-F82 HydrophobicContact CD2-CE2 4.24Å; L10-F82 HydrophobicContact CD2-CZ 3.77Å; I78-F82 HydrophobicContact CG2-CD2 4.05Å; I78-F82 HydrophobicContact CG2-CE2 3.92Å; I78-F82 WeakPolarHBondContact O-CD2 3.5Å; I78-F82 PolarHBondContact O-N 2.84Å; K79-F82 PolarHBondContact O-N 2.9Å; K79-F82 VanDerWaalsContact O-N 3.16Å; F82-Q84 VanDerWaalsContact C-N 3.28Å; F82-Q84 PolarHBondContact O-N 3.06Å; F82-I85 PolarHBondContact O-N 3.35Å; F82-D86 WeakPolarHBondContact O-CB 3.26Å; F82-D86 PolarHBondContact O-N 2.91Å; F82-L93 HydrophobicContact CD1-CD2 4.4Å; F82-L93 HydrophobicContact CE1-CD2 3.85Å; F82-C141 HydrophobicContact CE2-CB 4.24Å; F82-C141 HydrophobicContact CZ-CB 4.19Å; F82-C141 WeakPolarHBondContact CZ-O 3.39Å; F82-L144 HydrophobicContact CB-CB 4.39Å; F82-L144 HydrophobicContact CB-CD1 4.43Å; F82-L144 HydrophobicContact CD1-CB 3.79Å; F82-L144 HydrophobicContact CD2-CB 3.66Å; F82-L144 HydrophobicContact CD2-CD1 3.45Å; F82-L144 VanDerWaalsContact CD2-CD1 3.45Å; F82-L144 HydrophobicContact CD2-CG 4.21Å; F82-L144 HydrophobicContact CE1-CB 3.91Å; F82-L144 HydrophobicContact CE2-CB 3.79Å; F82-L144 HydrophobicContact CE2-CD1 3.91Å; F82-L144 HydrophobicContact CE2-CG 4.49Å; F82-L144 HydrophobicContact CG-CB 3.67Å; F82-L144 HydrophobicContact CG-CD1 4.05Å; F82-L144 HydrophobicContact CG-CG 4.48Å; F82-L144 HydrophobicContact CZ-CB 3.91Å; F82-A145 HydrophobicContact CE1-CB 3.82Å; F82-A145 HydrophobicContact CZ-CB 4.17Å; F82-M148 HydrophobicContact CD1-SD 4.33Å
83H98.7Very high98.2Very high120 Ų12062.5 Ų62.556%0.55630%0.295SS*.Hα-helixtrans-62-36.5172.4-67173000112.4K79 N80 L81 R87K79-H83 PolarHBondContact O-N 2.83Å; N80-H83 PolarHBondContact O-N 3.45Å; L81-H83 PolarHBondContact O-N 3.19Å; H83-R87 WeakPolarHBondContact O-CB 3.26Å; H83-R87 PolarHBondContact O-N 2.66Å; H83-R87 VanDerWaalsContact O-N 3.12Å
84Q98.8Very high98.3Very high46 Ų4661.2 Ų61.222%0.21528%0.283CS..Hα-helixtrans-65.4-48.5175.1178.1176.5-10.900111.4N80 L81 F82 D86 R87 E88N80-Q84 WeakPolarHBondContact O-CB 3.35Å; N80-Q84 PolarHBondContact O-N 3.19Å; L81-Q84 WeakPolarHBondContact O-CB 3.29Å; L81-Q84 PolarHBondContact O-N 3.24Å; L81-Q84 VanDerWaalsContact O-N 3.16Å; F82-Q84 VanDerWaalsContact C-N 3.28Å; F82-Q84 PolarHBondContact O-N 3.06Å; Q84-D86 PolarHBondContact O-N 2.82Å; Q84-R87 PolarHBondContact O-N 3.39Å; Q84-E88 HydrophobicContact CG-CG 4.31Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.41Å; Q84-E88 PolarHBondContact NE2-OE1 3.37Å; Q84-E88 WeakPolarHBondContact O-CB 3.27Å; Q84-E88 WeakPolarHBondContact O-CG 3.39Å; Q84-E88 PolarHBondContact O-N 3.2Å
85I98.8Very high98.3Very high0 Ų058.6 Ų58.60%027%0.269CS..Hα-helixtrans-60.6-46.4178.4-60.3167.6000110.2V8 L10 Y34 L81 F82 R87 E88 Q89 L93 M148V8-I85 HydrophobicContact CG1-CG2 4.31Å; L10-I85 HydrophobicContact CB-CD1 4.41Å; L10-I85 HydrophobicContact CD1-CD1 4.41Å; L10-I85 HydrophobicContact CD2-CD1 4.13Å; Y34-I85 HydrophobicContact CD1-CD1 4.33Å; Y34-I85 HydrophobicContact CD1-CG1 3.73Å; Y34-I85 HydrophobicContact CD2-CD1 4.32Å; Y34-I85 HydrophobicContact CD2-CG1 3.95Å; Y34-I85 HydrophobicContact CD2-CG2 4.4Å; Y34-I85 HydrophobicContact CE1-CG1 3.71Å; Y34-I85 HydrophobicContact CE2-CB 4.41Å; Y34-I85 HydrophobicContact CE2-CG1 3.94Å; Y34-I85 HydrophobicContact CE2-CG2 4Å; Y34-I85 HydrophobicContact CG-CD1 4.1Å; Y34-I85 HydrophobicContact CG-CG1 3.85Å; L81-I85 HydrophobicContact CD1-CD1 4.12Å; L81-I85 HydrophobicContact CD1-CG1 4.4Å; L81-I85 HydrophobicContact CG-CD1 4.09Å; L81-I85 WeakPolarHBondContact O-CG1 3.16Å; L81-I85 PolarHBondContact O-N 2.84Å; F82-I85 PolarHBondContact O-N 3.35Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.48Å; I85-E88 PolarHBondContact O-N 2.93Å; I85-Q89 HydrophobicContact CG2-CB 4.47Å; I85-Q89 HydrophobicContact CG2-CG 4.1Å; I85-Q89 VanDerWaalsContact O-CB 3.29Å; I85-Q89 WeakPolarHBondContact O-CB 3.33Å; I85-Q89 WeakPolarHBondContact O-CG 3.31Å; I85-Q89 PolarHBondContact O-N 3.4Å; I85-L93 HydrophobicContact CG2-CD1 4.47Å; I85-M148 HydrophobicContact CB-CE 4.32Å; I85-M148 HydrophobicContact CG2-CE 3.63Å
86D98.4Very high98.4Very high72 Ų7254.9 Ų54.939%0.38525%0.252SS..Hα-helixtrans-55.5-49.3178.4-179.576.6000111.5F82 Q84 K90 G91 M148F82-D86 WeakPolarHBondContact O-CB 3.26Å; F82-D86 PolarHBondContact O-N 2.91Å; Q84-D86 PolarHBondContact O-N 2.82Å; D86-K90 CarbonylContact O-C 3.59Å; D86-K90 VanDerWaalsContact O-CA 3.27Å; D86-K90 WeakPolarHBondContact O-CA 3.45Å; D86-K90 PolarHBondContact O-N 2.92Å; D86-G91 PolarHBondContact O-N 3.16Å; D86-G91 WeakPolarHBondContact OD1-CA 3.46Å; D86-M148 HydrophobicContact CB-SD 3.97Å
87R98.4Very high98.4Very high162 Ų16250.1 Ų50.161%0.61123%0.227SC*.Hα-helixtrans-63.4-47.9179-177.4-177.962.9-110.8-0.8112.6H83 Q84 I85H83-R87 WeakPolarHBondContact O-CB 3.26Å; H83-R87 PolarHBondContact O-N 2.66Å; H83-R87 VanDerWaalsContact O-N 3.12Å; Q84-R87 PolarHBondContact O-N 3.39Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.48Å
88E98.5Very high98.4Very high78 Ų7846.9 Ų46.936%0.36421%0.211SC..Hα-helixtrans-74.9-30.8-173.5-72.2175.1-172.100112.9Y34 Q84 I85Y34-E88 WeakPolarHBondContact CE1-OE2 3.43Å; Y34-E88 VanDerWaalsContact OH-CB 3.27Å; Y34-E88 WeakPolarHBondContact OH-CB 3.47Å; Y34-E88 PolarHBondContact OH-OE2 3.21Å; Q84-E88 HydrophobicContact CG-CG 4.31Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.41Å; Q84-E88 PolarHBondContact NE2-OE1 3.37Å; Q84-E88 WeakPolarHBondContact O-CB 3.27Å; Q84-E88 WeakPolarHBondContact O-CG 3.39Å; Q84-E88 PolarHBondContact O-N 3.2Å; I85-E88 PolarHBondContact O-N 2.93Å
89Q98Very high98.4Very high40 Ų4047.8 Ų47.819%0.18722%0.216CC..Hα-helixtrans-110.39.3-175.2-51.3-56.5-35.300113.2V8 Y34 I85 G91 R92V8-Q89 HydrophobicContact CG1-CB 4.36Å; V8-Q89 HydrophobicContact CG1-CG 3.8Å; V8-Q89 HydrophobicContact CG2-CB 4.25Å; V8-Q89 HydrophobicContact CG2-CG 4.12Å; Y34-Q89 HydrophobicContact CE2-CG 3.85Å; Y34-Q89 PolarHBondContact OH-NE2 3.09Å; I85-Q89 HydrophobicContact CG2-CB 4.47Å; I85-Q89 HydrophobicContact CG2-CG 4.1Å; I85-Q89 VanDerWaalsContact O-CB 3.29Å; I85-Q89 WeakPolarHBondContact O-CB 3.33Å; I85-Q89 WeakPolarHBondContact O-CG 3.31Å; I85-Q89 PolarHBondContact O-N 3.4Å; Q89-G91 VanDerWaalsContact C-N 3.25Å; Q89-G91 PolarHBondContact O-N 2.84Å; Q89-R92 HydrophobicContact CB-CB 4.32Å; Q89-R92 WeakPolarHBondContact CB-O 3.31Å; Q89-R92 WeakPolarHBondContact O-CB 3.44Å; Q89-R92 PolarHBondContact O-N 2.76Å; Q89-R92 VanDerWaalsContact O-N 3.13Å
90K97Very high98.3Very high178 Ų17844.6 Ų44.677%0.77420%0.203SC*.THydrogen-bonded Turntrans56.739.9-179.7-53.4178-178.2178.60112.3D86 R92D86-K90 CarbonylContact O-C 3.59Å; D86-K90 VanDerWaalsContact O-CA 3.27Å; D86-K90 WeakPolarHBondContact O-CA 3.45Å; D86-K90 PolarHBondContact O-N 2.92Å; K90-R92 VanDerWaalsContact C-N 3.33Å
91G96.7Very high98.2Very high1 Ų142.7 Ų42.71%0.0119%0.189CC..THydrogen-bonded Turntrans81.90-17900000115.6D86 Q89 M148 Y152D86-G91 PolarHBondContact O-N 3.16Å; D86-G91 WeakPolarHBondContact OD1-CA 3.46Å; Q89-G91 VanDerWaalsContact C-N 3.25Å; Q89-G91 PolarHBondContact O-N 2.84Å; G91-M148 WeakPolarHBondContact O-CE 3.48Å; G91-Y152 WeakPolarHBondContact O-CB 3.27Å
92R97.2Very high97.9Very high76 Ų7644.6 Ų44.629%0.28720%0.202SC..  trans-76.8130.4178.8-174.1174.1-173.4170.62111.9G6 V8 Q89 K90 D94 M148 Y152G6-R92 PolarHBondContact O-NH1 2.67Å; G6-R92 PolarHBondContact O-NH2 2.89Å; V8-R92 HydrophobicContact CB-CG 4.41Å; V8-R92 HydrophobicContact CG2-CB 4.4Å; V8-R92 HydrophobicContact CG2-CG 4.06Å; Q89-R92 HydrophobicContact CB-CB 4.32Å; Q89-R92 WeakPolarHBondContact CB-O 3.31Å; Q89-R92 WeakPolarHBondContact O-CB 3.44Å; Q89-R92 PolarHBondContact O-N 2.76Å; Q89-R92 VanDerWaalsContact O-N 3.13Å; K90-R92 VanDerWaalsContact C-N 3.33Å; R92-D94 IonicContact CZ-OD1 2.72Å; R92-D94 IonicContact CZ-OD2 3.4Å; R92-D94 VanDerWaalsContact NE-CG 3.34Å; R92-D94 IonicContact NE-OD1 2.83Å; R92-D94 PolarHBondContact NE-OD1 3.13Å; R92-D94 IonicContact NE-OD2 2.73Å; R92-D94 PolarHBondContact NE-OD2 3.15Å; R92-D94 IonicContact NH2-OD1 3.87Å; R92-D94 PolarHBondContact NH2-OD1 2.79Å; R92-D94 IonicContact NH2-OD2 2.74Å; R92-D94 PolarHBondContact NH2-OD2 3.38Å; R92-M148 WeakPolarHBondContact O-CE 3.42Å; R92-Y152 HydrophobicContact CB-CD1 4.38Å; R92-Y152 HydrophobicContact CB-CD2 4.02Å; R92-Y152 HydrophobicContact CB-CE1 4.05Å; R92-Y152 HydrophobicContact CB-CE2 3.69Å; R92-Y152 HydrophobicContact CB-CG 4.38Å; R92-Y152 WeakPolarHBondContact CD-OH 3.39Å; R92-Y152 HydrophobicContact CG-CD1 4.15Å; R92-Y152 HydrophobicContact CG-CE1 3.59Å; R92-Y152 HydrophobicContact CG-CE2 4.14Å
93L98.4Very high97.6Very high4 Ų444.2 Ų44.22%0.02120%0.201CC..  trans-149.5120.1164.1179.862.1000107.9V8 L10 F82 I85 V96 A145 M148 M149V8-L93 HydrophobicContact CG1-CD1 4.14Å; L10-L93 HydrophobicContact CB-CD1 4.05Å; F82-L93 HydrophobicContact CD1-CD2 4.4Å; F82-L93 HydrophobicContact CE1-CD2 3.85Å; I85-L93 HydrophobicContact CG2-CD1 4.47Å; L93-V96 HydrophobicContact CD1-CG2 4.08Å; L93-V96 HydrophobicContact CD2-CG2 3.42Å; L93-V96 VanDerWaalsContact CD2-CG2 3.42Å; L93-V96 HydrophobicContact CG-CG2 3.74Å; L93-A145 HydrophobicContact CD2-CB 4.13Å; L93-M148 HydrophobicContact CB-CE 3.33Å; L93-M148 HydrophobicContact CD2-CE 4.13Å; L93-M148 HydrophobicContact CG-CE 4.35Å; L93-M149 HydrophobicContact CG-CE 4.13Å; L93-M149 WeakPolarHBondContact O-CE 3.39Å; L93-M149 VanDerWaalsContact O-CG 3.26Å; L93-M149 WeakPolarHBondContact O-CG 3.34Å
94D98.2Very high97.2Very high24 Ų2440.6 Ų40.613%0.12819%0.187CC..  trans-99.7-38.8-174-54.2-93.4000111.2C7 V8 R92 G164 L165C7-D94 WeakPolarHBondContact CA-OD2 3.42Å; C7-D94 HydrophobicContact CB-CB 4.23Å; V8-D94 PolarHBondContact N-OD2 3.43Å; V8-D94 PolarHBondContact O-N 2.92Å; R92-D94 IonicContact CZ-OD1 2.72Å; R92-D94 IonicContact CZ-OD2 3.4Å; R92-D94 VanDerWaalsContact NE-CG 3.34Å; R92-D94 IonicContact NE-OD1 2.83Å; R92-D94 PolarHBondContact NE-OD1 3.13Å; R92-D94 IonicContact NE-OD2 2.73Å; R92-D94 PolarHBondContact NE-OD2 3.15Å; R92-D94 IonicContact NH2-OD1 3.87Å; R92-D94 PolarHBondContact NH2-OD1 2.79Å; R92-D94 IonicContact NH2-OD2 2.74Å; R92-D94 PolarHBondContact NH2-OD2 3.38Å; D94-G164 WeakPolarHBondContact O-CA 3.45Å; D94-L165 PolarHBondContact O-N 2.57Å
95I98.8Very high96.8Very high4 Ų442.6 Ų42.62%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-132.1131.2-175.6-50.5178.8000110.7I4 V8 C9 L10 L26 V97 L165 I249 A253I4-I95 HydrophobicContact CD1-CD1 4.46Å; V8-I95 PolarHBondContact O-N 3.45Å; V8-I95 VanDerWaalsContact O-N 3.16Å; C9-I95 CarbonylContact C-O 3.59Å; C9-I95 VanDerWaalsContact CA-O 3.24Å; C9-I95 WeakPolarHBondContact CA-O 3.27Å; C9-I95 HydrophobicContact CB-CB 4.25Å; L10-I95 PolarHBondContact N-O 2.99Å; L26-I95 HydrophobicContact CD2-CD1 4.13Å; I95-V97 HydrophobicContact CG2-CG2 4.1Å; I95-L165 CarbonylContact C-O 3.57Å; I95-L165 VanDerWaalsContact CA-O 3.3Å; I95-L165 WeakPolarHBondContact CA-O 3.48Å; I95-L165 HydrophobicContact CG1-CB 4.38Å; I95-L165 HydrophobicContact CG2-CB 4.48Å; I95-L165 HydrophobicContact CG2-CD2 4.46Å; I95-L165 HydrophobicContact CG2-CG 4.49Å; I95-I249 HydrophobicContact CG2-CG2 4.5Å; I95-A253 HydrophobicContact CD1-CB 3.53Å
96V98.9Very high96.5Very high0 Ų043.1 Ų43.10%021%0.205CC..EExtended strand (participates in β ladder)trans-122.5125.6168.7-178.60000109.7L10 L93 A145 M149 L165 I166 V167L10-V96 HydrophobicContact CB-CG2 4.31Å; L10-V96 HydrophobicContact CD2-CG1 4.22Å; L10-V96 HydrophobicContact CG-CG1 4.46Å; L10-V96 CarbonylContact O-C 3.56Å; L10-V96 WeakPolarHBondContact O-CA 3.31Å; L93-V96 HydrophobicContact CD1-CG2 4.08Å; L93-V96 HydrophobicContact CD2-CG2 3.42Å; L93-V96 VanDerWaalsContact CD2-CG2 3.42Å; L93-V96 HydrophobicContact CG-CG2 3.74Å; V96-A145 HydrophobicContact CB-CB 4.31Å; V96-A145 HydrophobicContact CG2-CB 3.58Å; V96-M149 HydrophobicContact CG2-CE 3.98Å; V96-L165 PolarHBondContact N-O 3.23Å; V96-I166 CarbonylContact O-C 3.55Å; V96-I166 WeakPolarHBondContact O-CA 3.34Å; V96-V167 PolarHBondContact O-N 3.42Å
97V98.9Very high96.2Very high0 Ų040.1 Ų40.10%019%0.189CC..EExtended strand (participates in β ladder)trans-111.1106.3175-173.50000109.2L10 V11 T12 I22 L26 I95 N99 V167 I169 I249L10-V97 PolarHBondContact O-N 2.59Å; V11-V97 HydrophobicContact CG1-CB 4.34Å; V11-V97 HydrophobicContact CG2-CB 4.25Å; V11-V97 HydrophobicContact CG2-CG2 4.29Å; T12-V97 PolarHBondContact N-O 3.49Å; T12-V97 PolarHBondContact OG1-O 3.16Å; I22-V97 HydrophobicContact CD1-CG1 3.78Å; I22-V97 HydrophobicContact CG2-CB 4.33Å; I22-V97 HydrophobicContact CG2-CG1 4.1Å; I22-V97 HydrophobicContact CG2-CG2 3.95Å; L26-V97 HydrophobicContact CD1-CG2 4.42Å; I95-V97 HydrophobicContact CG2-CG2 4.1Å; V97-N99 HydrophobicContact CG1-CB 4.22Å; V97-N99 PolarHBondContact O-N 2.78Å; V97-V167 WeakPolarHBondContact CA-O 3.28Å; V97-V167 HydrophobicContact CG1-CB 4.47Å; V97-V167 HydrophobicContact CG2-CB 4.35Å; V97-I169 HydrophobicContact CG1-CD1 4.02Å; V97-I169 HydrophobicContact CG1-CG1 3.9Å; V97-I249 HydrophobicContact CG1-CD1 4.16Å; V97-I249 HydrophobicContact CG2-CD1 4.23Å; V97-I249 HydrophobicContact CG2-CG2 4.4Å
98N98.8Very high95.7Very high0 Ų035.5 Ų35.50%017%0.174CC..EExtended strand (participates in β ladder)trans-79.293.6172.9-77.2-32.9000109.5H138 C141 S142 V167 N168 I169N98-H138 HydrophobicContact CB-CB 3.99Å; N98-H138 WeakPolarHBondContact CB-CD2 3.31Å; N98-H138 PolarHBondContact ND2-O 3.05Å; N98-C141 VanDerWaalsContact OD1-CB 3.27Å; N98-C141 WeakPolarHBondContact OD1-CB 3.49Å; N98-S142 PolarHBondContact ND2-OG 3.29Å; N98-V167 WeakPolarHBondContact CB-O 3.39Å; N98-V167 PolarHBondContact N-O 3.09Å; N98-N168 VanDerWaalsContact CB-OD1 3.26Å; N98-N168 WeakPolarHBondContact CB-OD1 3.5Å; N98-N168 PolarHBondContact ND2-OD1 2.86Å; N98-I169 PolarHBondContact O-N 3.05Å
99N98.4Very high95.3Very high20 Ų2037.9 Ų37.911%0.10718%0.183CC..  trans-124-23.7-177162.786.8000113.5T12 G13 I18 G19 V97 Y101 H138 I169T12-N99 CarbonylContact O-C 3.56Å; T12-N99 VanDerWaalsContact O-CB 3.28Å; T12-N99 WeakPolarHBondContact O-CB 3.4Å; T12-N99 PolarHBondContact O-ND2 2.93Å; T12-N99 PolarHBondContact OG1-N 2.83Å; G13-N99 PolarHBondContact O-ND2 2.83Å; G13-N99 VanDerWaalsContact O-ND2 3.15Å; I18-N99 WeakPolarHBondContact CG2-OD1 3.47Å; G19-N99 WeakPolarHBondContact CA-ND2 3.35Å; G19-N99 PolarHBondContact N-ND2 3Å; G19-N99 PolarHBondContact N-OD1 3.38Å; V97-N99 HydrophobicContact CG1-CB 4.22Å; V97-N99 PolarHBondContact O-N 2.78Å; N99-Y101 PolarHBondContact O-N 2.9Å; N99-H138 PolarHBondContact N-NE2 3.47Å; N99-I169 HydrophobicContact CB-CB 4.36Å; N99-I169 HydrophobicContact CB-CG1 3.8Å
100A97.2Very high95Very high3 Ų336 Ų363%0.02517%0.174CC..  trans-50.6126.4-173.600000112.4T12 H72 T133 H138T12-A100 PolarHBondContact O-N 3.17Å; T12-A100 VanDerWaalsContact O-N 3.15Å; T12-A100 PolarHBondContact OG1-N 3.45Å; H72-A100 HydrophobicContact CB-CB 4.05Å; A100-T133 HydrophobicContact CB-CG2 3.89Å; A100-H138 PolarHBondContact N-NE2 2.94Å; A100-H138 PolarHBondContact O-CE1 2.87Å; A100-H138 PolarHBondContact O-NE2 3.38Å
101Y95.7Very high94.4Very high58 Ų5830.9 Ų30.923%0.22715%0.154CC..  trans-150.3122-176.6-163.6-106.5000110.6N99 A103 V104 I107 V130 Y183N99-Y101 PolarHBondContact O-N 2.9Å; Y101-A103 HydrophobicContact CE1-CB 3.87Å; Y101-V104 HydrophobicContact CD1-CG2 3.96Å; Y101-V104 HydrophobicContact CE1-CG2 4.5Å; Y101-I107 HydrophobicContact CE1-CD1 4.01Å; Y101-I107 WeakPolarHBondContact OH-CD1 3.46Å; Y101-V130 WeakPolarHBondContact CE2-O 3.24Å; Y101-Y183 WeakPolarHBondContact OH-CD2 3.37Å
102S92.3Very high93.8Very high42 Ų4235.9 Ų35.929%0.29420%0.195SC..  trans-104.3-13.5-170.853.20000114V104 V129 T133S102-V104 PolarHBondContact O-N 3.11Å; S102-V129 PolarHBondContact OG-O 2.96Å; S102-T133 VanDerWaalsContact OG-CB 3.31Å; S102-T133 WeakPolarHBondContact OG-CB 3.47Å; S102-T133 PolarHBondContact OG-OG1 3.44Å
103A93.1Very high93.5Very high0 Ų035.7 Ų35.70%020%0.196CC..  trans-90.813.8-170.400000115.8Y101 T105 F106 I107 V129 V130Y101-A103 HydrophobicContact CE1-CB 3.87Å; A103-T105 PolarHBondContact O-N 3.48Å; A103-F106 HydrophobicContact CB-CB 4.4Å; A103-F106 PolarHBondContact O-N 3.27Å; A103-I107 HydrophobicContact CB-CD1 4.34Å; A103-I107 HydrophobicContact CB-CG1 4.44Å; A103-I107 WeakPolarHBondContact O-CB 3.17Å; A103-I107 WeakPolarHBondContact O-CG1 3.22Å; A103-I107 PolarHBondContact O-N 3.26Å; A103-V129 HydrophobicContact CB-CG1 3.97Å; A103-V129 WeakPolarHBondContact CB-O 3.19Å; A103-V130 HydrophobicContact CB-CB 4.35Å; A103-V130 HydrophobicContact CB-CG2 3.95Å
104V91Very high93.2Very high45 Ų4537.8 Ų37.827%0.27321%0.21SC..Hα-helixtrans-56-50.8-176.5-179.70000111.3Y101 S102 I107 Q108 H222Y101-V104 HydrophobicContact CD1-CG2 3.96Å; Y101-V104 HydrophobicContact CE1-CG2 4.5Å; S102-V104 PolarHBondContact O-N 3.11Å; V104-I107 PolarHBondContact O-N 3.01Å; V104-Q108 WeakPolarHBondContact O-CG 3.25Å; V104-Q108 PolarHBondContact O-N 2.96Å; V104-H222 HydrophobicContact CG1-CB 3.89Å
105T89.2Confident92.9Very high88 Ų8843.7 Ų43.754%0.5423%0.232SC..Hα-helixtrans-68.4-38.9179.952.50000112.4A103 Q108 K109A103-T105 PolarHBondContact O-N 3.48Å; T105-Q108 PolarHBondContact O-N 3.3Å; T105-K109 WeakPolarHBondContact O-CB 3.41Å; T105-K109 PolarHBondContact O-N 3.3Å
106F92.8Very high92.7Very high11 Ų1151.7 Ų51.75%0.04826%0.263CS..Hα-helixtrans-62-43.6176.4173.8-99000111.9A103 N110 I118 A126 V129 V130A103-F106 HydrophobicContact CB-CB 4.4Å; A103-F106 PolarHBondContact O-N 3.27Å; F106-N110 WeakPolarHBondContact CD2-ND2 3.47Å; F106-N110 VanDerWaalsContact CE2-ND2 3.27Å; F106-N110 WeakPolarHBondContact CE2-ND2 3.48Å; F106-N110 WeakPolarHBondContact O-CB 3.08Å; F106-N110 PolarHBondContact O-N 2.69Å; F106-N110 PolarHBondContact O-ND2 3.41Å; F106-I118 HydrophobicContact CE2-CG2 4.04Å; F106-I118 HydrophobicContact CZ-CD1 3.89Å; F106-I118 HydrophobicContact CZ-CG2 4.05Å; F106-A126 HydrophobicContact CE2-CB 4.49Å; F106-A126 HydrophobicContact CZ-CB 3.82Å; F106-V129 HydrophobicContact CB-CG1 3.62Å; F106-V129 HydrophobicContact CD1-CG1 3.9Å; F106-V129 HydrophobicContact CD2-CG1 4.14Å; F106-V129 HydrophobicContact CG-CG1 3.6Å; F106-V130 HydrophobicContact CD1-CG2 3.73Å; F106-V130 HydrophobicContact CE1-CG2 3.7Å
107I92.1Very high92.5Very high9 Ų955.2 Ų55.25%0.04628%0.281CS..Hα-helixtrans-65-48176.5-76.4173.6000110.6Y101 A103 V104 K109 N110 M111 F179 Y183Y101-I107 HydrophobicContact CE1-CD1 4.01Å; Y101-I107 WeakPolarHBondContact OH-CD1 3.46Å; A103-I107 HydrophobicContact CB-CD1 4.34Å; A103-I107 HydrophobicContact CB-CG1 4.44Å; A103-I107 WeakPolarHBondContact O-CB 3.17Å; A103-I107 WeakPolarHBondContact O-CG1 3.22Å; A103-I107 PolarHBondContact O-N 3.26Å; V104-I107 PolarHBondContact O-N 3.01Å; I107-K109 VanDerWaalsContact C-N 3.3Å; I107-K109 PolarHBondContact O-N 3.38Å; I107-N110 CarbonylContact O-C 3.57Å; I107-N110 PolarHBondContact O-N 2.89Å; I107-N110 VanDerWaalsContact O-N 3.14Å; I107-M111 HydrophobicContact CG2-CE 4.3Å; I107-M111 WeakPolarHBondContact O-CA 3.45Å; I107-M111 WeakPolarHBondContact O-CB 3.35Å; I107-M111 PolarHBondContact O-N 3Å; I107-F179 HydrophobicContact CG2-CB 3.65Å; I107-F179 HydrophobicContact CG2-CD1 4.36Å; I107-F179 HydrophobicContact CG2-CD2 3.8Å; I107-F179 HydrophobicContact CG2-CG 3.69Å; I107-Y183 HydrophobicContact CD1-CD2 3.41Å; I107-Y183 VanDerWaalsContact CD1-CD2 3.41Å; I107-Y183 HydrophobicContact CD1-CE2 4.17Å; I107-Y183 HydrophobicContact CD1-CG 3.96Å
108Q88.1Confident92.2Very high65 Ų6556.2 Ų56.230%0.30429%0.287SS..Hα-helixtrans-56.9-44.2178.8-75.7174-29.200111.8V104 T105 N110V104-Q108 WeakPolarHBondContact O-CG 3.25Å; V104-Q108 PolarHBondContact O-N 2.96Å; T105-Q108 PolarHBondContact O-N 3.3Å; Q108-N110 VanDerWaalsContact C-N 3.31Å; Q108-N110 PolarHBondContact O-N 2.98Å
109K90.2Very high92Very high127 Ų12761.4 Ų61.455%0.55232%0.318SS*.Hα-helixtrans-63.6-33.5178.4-176.9-177176.5-171.60113.3T105 I107 D120T105-K109 WeakPolarHBondContact O-CB 3.41Å; T105-K109 PolarHBondContact O-N 3.3Å; I107-K109 VanDerWaalsContact C-N 3.3Å; I107-K109 PolarHBondContact O-N 3.38Å; K109-D120 IonicContact NZ-OD2 3.78Å; K109-D120 PolarHBondContact NZ-OD2 2.95Å
110N91.5Very high91.8Very high0 Ų063.6 Ų63.60%033%0.33CS..Hα-helixtrans-111.68.6-170.6-63.7-66.2000113.8F106 I107 Q108 A112 K113 I118F106-N110 WeakPolarHBondContact CD2-ND2 3.47Å; F106-N110 VanDerWaalsContact CE2-ND2 3.27Å; F106-N110 WeakPolarHBondContact CE2-ND2 3.48Å; F106-N110 WeakPolarHBondContact O-CB 3.08Å; F106-N110 PolarHBondContact O-N 2.69Å; F106-N110 PolarHBondContact O-ND2 3.41Å; I107-N110 CarbonylContact O-C 3.57Å; I107-N110 PolarHBondContact O-N 2.89Å; I107-N110 VanDerWaalsContact O-N 3.14Å; Q108-N110 VanDerWaalsContact C-N 3.31Å; Q108-N110 PolarHBondContact O-N 2.98Å; N110-A112 PolarHBondContact O-N 3.21Å; N110-K113 PolarHBondContact O-N 3.45Å; N110-I118 HydrophobicContact CB-CD1 4.12Å; N110-I118 HydrophobicContact CB-CG1 4.32Å
111M85.4Confident91.7Very high72 Ų7267.2 Ų67.236%0.35534%0.343SS..THydrogen-bonded Turntrans-61.1-30.2-173.8-166.9-178.7-60.200113.6I107 F179I107-M111 HydrophobicContact CG2-CE 4.3Å; I107-M111 WeakPolarHBondContact O-CA 3.45Å; I107-M111 WeakPolarHBondContact O-CB 3.35Å; I107-M111 PolarHBondContact O-N 3Å; M111-F179 HydrophobicContact CE-CD1 3.41Å; M111-F179 VanDerWaalsContact CE-CD1 3.41Å; M111-F179 HydrophobicContact CE-CE1 3.48Å; M111-F179 VanDerWaalsContact CE-CE1 3.48Å; M111-F179 HydrophobicContact CE-CG 4.27Å; M111-F179 HydrophobicContact CE-CZ 4.38Å; M111-F179 HydrophobicContact CG-CB 4.43Å; M111-F179 HydrophobicContact CG-CD1 3.82Å; M111-F179 HydrophobicContact SD-CD1 3.57Å; M111-F179 VanDerWaalsContact SD-CD1 3.57Å; M111-F179 HydrophobicContact SD-CE1 3.82Å
112A83.3Confident91.7Very high105 Ų10566.9 Ų66.987%0.86835%0.349SS*.THydrogen-bonded Turntrans-93.91.5179.300000113.5N110N110-A112 PolarHBondContact O-N 3.21Å
113K90.6Very high91.8Very high73 Ų7370.4 Ų70.432%0.31737%0.371SS..SBendtrans-101.3138.6-177.3-63.7-169.9178-168.80110.8N110N110-K113 PolarHBondContact O-N 3.45Å
114P92.3Very high92Very high47 Ų4772.3 Ų72.331%0.30539%0.391SS..  trans-63.7149.3166.328.6-31.9000109.7Y116 D117P114-Y116 HydrophobicContact CB-CD1 4.05Å; P114-Y116 HydrophobicContact CB-CD2 4.36Å; P114-Y116 HydrophobicContact CB-CE1 3.55Å; P114-Y116 HydrophobicContact CB-CE2 3.9Å; P114-Y116 HydrophobicContact CB-CG 4.43Å; P114-Y116 VanDerWaalsContact CB-CZ 3.46Å; P114-Y116 HydrophobicContact CG-CD2 4.18Å; P114-Y116 HydrophobicContact CG-CE1 4.2Å; P114-Y116 HydrophobicContact CG-CE2 3.59Å; P114-Y116 PolarHBondContact O-N 2.97Å; P114-Y116 VanDerWaalsContact O-N 3.08Å; P114-D117 HydrophobicContact CG-CB 3.73Å; P114-D117 PolarHBondContact O-N 2.98Å
115Y92.1Very high92.2Very high148 Ų14875.3 Ų75.358%0.5840%0.402SS*.G310 helixtrans-58.5-29-172.673.3-87000113.6D117 V181Y115-D117 VanDerWaalsContact C-N 3.31Å; Y115-V181 HydrophobicContact CD1-CG2 3.55Å; Y115-V181 HydrophobicContact CE1-CG2 4.33Å; Y115-V181 HydrophobicContact CG-CB 4.31Å; Y115-V181 HydrophobicContact CG-CG2 3.79Å
116Y94.2Very high92.4Very high173 Ų17371.6 Ų71.668%0.67838%0.38SS*.G310 helixtrans-79.5-8.117955.6-104.1000114.1P114P114-Y116 HydrophobicContact CB-CD1 4.05Å; P114-Y116 HydrophobicContact CB-CD2 4.36Å; P114-Y116 HydrophobicContact CB-CE1 3.55Å; P114-Y116 HydrophobicContact CB-CE2 3.9Å; P114-Y116 HydrophobicContact CB-CG 4.43Å; P114-Y116 VanDerWaalsContact CB-CZ 3.46Å; P114-Y116 HydrophobicContact CG-CD2 4.18Å; P114-Y116 HydrophobicContact CG-CE1 4.2Å; P114-Y116 HydrophobicContact CG-CE2 3.59Å; P114-Y116 PolarHBondContact O-N 2.97Å; P114-Y116 VanDerWaalsContact O-N 3.08Å
117D95Very high92.6Very high73 Ų7376.4 Ų76.439%0.3940%0.398SS..G310 helixtrans-10714.4-179.5-168.744.2000112.6P114 Y115 T119P114-D117 HydrophobicContact CG-CB 3.73Å; P114-D117 PolarHBondContact O-N 2.98Å; Y115-D117 VanDerWaalsContact C-N 3.31Å; D117-T119 PolarHBondContact O-N 2.97Å; D117-T119 VanDerWaalsContact O-N 3.11Å
118I93.7Very high92.8Very high21 Ų2180.2 Ų80.211%0.10842%0.419CS..  trans-8090.7168.7-56.4179.3000107.6F106 N110 R121 A126F106-I118 HydrophobicContact CE2-CG2 4.04Å; F106-I118 HydrophobicContact CZ-CD1 3.89Å; F106-I118 HydrophobicContact CZ-CG2 4.05Å; N110-I118 HydrophobicContact CB-CD1 4.12Å; N110-I118 HydrophobicContact CB-CG1 4.32Å; I118-R121 HydrophobicContact CG2-CG 4.25Å; I118-A126 HydrophobicContact CG2-CB 4.31Å
119T94.1Very high93.1Very high109 Ų10979 Ų7967%0.66942%0.416SS*.  trans-99.4-4.8-173.252.10000114.5D117 R121D117-T119 PolarHBondContact O-N 2.97Å; D117-T119 VanDerWaalsContact O-N 3.11Å; T119-R121 PolarHBondContact O-N 3.46Å
120D93.8Very high93.3Very high66 Ų6673 Ų7335%0.35339%0.39SS..SBendtrans-80.32.9-179.278.8-29.5000114K109K109-D120 IonicContact NZ-OD2 3.78Å; K109-D120 PolarHBondContact NZ-OD2 2.95Å
121R94.7Very high93.7Very high80 Ų8073.4 Ų73.430%0.30239%0.392SS..SBendtrans-166.7169.9178.564.8-163.170.4-142.5-5110.1I118 T119 E125 A126I118-R121 HydrophobicContact CG2-CG 4.25Å; T119-R121 PolarHBondContact O-N 3.46Å; R121-E125 HydrophobicContact CB-CB 4.1Å; R121-E125 HydrophobicContact CG-CB 4.31Å; R121-A126 HydrophobicContact CG-CB 3.99Å
122S95.9Very high94.2Very high50 Ų5072 Ų7235%0.3539%0.386SS..  trans-69.3157.4173.369.60000112.3G124 E125 A126S122-G124 PolarHBondContact O-N 3.35Å; S122-E125 VanDerWaalsContact CB-OE2 3.3Å; S122-E125 WeakPolarHBondContact CB-OE2 3.49Å; S122-E125 PolarHBondContact N-OE2 3.5Å; S122-E125 PolarHBondContact O-N 2.93Å; S122-E125 WeakPolarHBondContact OG-CB 3.35Å; S122-E125 VanDerWaalsContact OG-CD 3.27Å; S122-E125 WeakPolarHBondContact OG-CG 3.46Å; S122-E125 PolarHBondContact OG-N 3.42Å; S122-E125 PolarHBondContact OG-OE2 2.98Å; S122-A126 PolarHBondContact O-N 3.08Å
123P95.6Very high94.8Very high117 Ų11767.7 Ų67.776%0.7635%0.348SS*.Hα-helixtrans-56.4-36.3175.1-27.635.8000113.9A126 W127P123-A126 PolarHBondContact O-N 3.15Å; P123-W127 PolarHBondContact O-N 2.92Å; P123-W127 VanDerWaalsContact O-N 3.11Å
124G96.2Very high95Very high40 Ų4064.3 Ų64.341%0.41234%0.335SS..Hα-helixtrans-66.2-46.6176.600000112.2S122 A126 W127 D128S122-G124 PolarHBondContact O-N 3.35Å; G124-A126 VanDerWaalsContact C-N 3.31Å; G124-A126 PolarHBondContact O-N 3.32Å; G124-W127 WeakPolarHBondContact O-CB 3.33Å; G124-W127 PolarHBondContact O-N 2.88Å; G124-W127 VanDerWaalsContact O-N 3.13Å; G124-D128 PolarHBondContact O-N 2.94Å
125E95.6Very high95.3Very high107 Ų10763.3 Ų63.350%0.533%0.327SS..Hα-helixtrans-63.6-37.3176.6-70.116513300112.1R121 S122 W127 D128 V129R121-E125 HydrophobicContact CB-CB 4.1Å; R121-E125 HydrophobicContact CG-CB 4.31Å; S122-E125 VanDerWaalsContact CB-OE2 3.3Å; S122-E125 WeakPolarHBondContact CB-OE2 3.49Å; S122-E125 PolarHBondContact N-OE2 3.5Å; S122-E125 PolarHBondContact O-N 2.93Å; S122-E125 WeakPolarHBondContact OG-CB 3.35Å; S122-E125 VanDerWaalsContact OG-CD 3.27Å; S122-E125 WeakPolarHBondContact OG-CG 3.46Å; S122-E125 PolarHBondContact OG-N 3.42Å; S122-E125 PolarHBondContact OG-OE2 2.98Å; E125-W127 VanDerWaalsContact C-N 3.31Å; E125-W127 PolarHBondContact O-N 3.16Å; E125-D128 PolarHBondContact O-N 2.77Å; E125-V129 WeakPolarHBondContact O-CB 3.35Å; E125-V129 WeakPolarHBondContact O-CG2 3.28Å; E125-V129 PolarHBondContact O-N 3Å
126A94.4Very high95.6Very high11 Ų1161.5 Ų61.59%0.09132%0.322CS..Hα-helixtrans-61-41.117400000111.9F106 I118 R121 S122 P123 G124F106-A126 HydrophobicContact CE2-CB 4.49Å; F106-A126 HydrophobicContact CZ-CB 3.82Å; I118-A126 HydrophobicContact CG2-CB 4.31Å; R121-A126 HydrophobicContact CG-CB 3.99Å; S122-A126 PolarHBondContact O-N 3.08Å; P123-A126 PolarHBondContact O-N 3.15Å; G124-A126 VanDerWaalsContact C-N 3.31Å; G124-A126 PolarHBondContact O-N 3.32Å
127W95.9Very high95.8Very high112 Ų11253.3 Ų53.342%0.42429%0.29SS..Hα-helixtrans-65.2-48174.2178-89000111.9P123 G124 E125 V129 V130 N131 A182P123-W127 PolarHBondContact O-N 2.92Å; P123-W127 VanDerWaalsContact O-N 3.11Å; G124-W127 WeakPolarHBondContact O-CB 3.33Å; G124-W127 PolarHBondContact O-N 2.88Å; G124-W127 VanDerWaalsContact O-N 3.13Å; E125-W127 VanDerWaalsContact C-N 3.31Å; E125-W127 PolarHBondContact O-N 3.16Å; W127-V129 VanDerWaalsContact C-N 3.35Å; W127-V129 PolarHBondContact O-N 2.82Å; W127-V130 PolarHBondContact O-N 3.19Å; W127-V130 VanDerWaalsContact O-N 3.08Å; W127-N131 VanDerWaalsContact CE2-ND2 3.28Å; W127-N131 HydrophobicContact CZ2-CB 4.46Å; W127-N131 WeakPolarHBondContact CZ2-ND2 3.47Å; W127-N131 PolarHBondContact O-N 3.03Å; W127-A182 HydrophobicContact CE3-CB 3.98Å; W127-A182 HydrophobicContact CZ3-CB 4.39Å
128D96.1Very high96Very high88 Ų8849.9 Ų49.947%0.47127%0.271SS..Hα-helixtrans-65.6-37.2-175.8-74.6-17.8000112.4G124 E125 V130 N131 N132G124-D128 PolarHBondContact O-N 2.94Å; E125-D128 PolarHBondContact O-N 2.77Å; D128-V130 PolarHBondContact O-N 3.24Å; D128-N131 PolarHBondContact O-N 3.08Å; D128-N132 HydrophobicContact CB-CB 4.45Å; D128-N132 WeakPolarHBondContact O-CB 3.46Å; D128-N132 PolarHBondContact O-N 2.7Å
129V95Very high96.2Very high40 Ų4054.7 Ų54.724%0.24229%0.289CS..Hα-helixtrans-54.7-40.6173.4167.70000111S102 A103 F106 E125 W127S102-V129 PolarHBondContact OG-O 2.96Å; A103-V129 HydrophobicContact CB-CG1 3.97Å; A103-V129 WeakPolarHBondContact CB-O 3.19Å; F106-V129 HydrophobicContact CB-CG1 3.62Å; F106-V129 HydrophobicContact CD1-CG1 3.9Å; F106-V129 HydrophobicContact CD2-CG1 4.14Å; F106-V129 HydrophobicContact CG-CG1 3.6Å; E125-V129 WeakPolarHBondContact O-CB 3.35Å; E125-V129 WeakPolarHBondContact O-CG2 3.28Å; E125-V129 PolarHBondContact O-N 3Å; W127-V129 VanDerWaalsContact C-N 3.35Å; W127-V129 PolarHBondContact O-N 2.82Å
130V95.1Very high96.4Very high1 Ų150.6 Ų50.61%0.00626%0.263CS..Hα-helixtrans-79.1-46.2-178.5175.80000112.1Y101 A103 F106 W127 D128 A182Y101-V130 WeakPolarHBondContact CE2-O 3.24Å; A103-V130 HydrophobicContact CB-CB 4.35Å; A103-V130 HydrophobicContact CB-CG2 3.95Å; F106-V130 HydrophobicContact CD1-CG2 3.73Å; F106-V130 HydrophobicContact CE1-CG2 3.7Å; W127-V130 PolarHBondContact O-N 3.19Å; W127-V130 VanDerWaalsContact O-N 3.08Å; D128-V130 PolarHBondContact O-N 3.24Å; V130-A182 HydrophobicContact CB-CB 3.97Å; V130-A182 HydrophobicContact CG1-CB 3.95Å; V130-A182 HydrophobicContact CG2-CB 3.97Å
131N97.8Very high96.7Very high8 Ų847.4 Ų47.44%0.04325%0.246CC..Hα-helixtrans-107-14.6-164-71.8-50.9000114.9W127 D128 L135 K136 A182 G186W127-N131 VanDerWaalsContact CE2-ND2 3.28Å; W127-N131 HydrophobicContact CZ2-CB 4.46Å; W127-N131 WeakPolarHBondContact CZ2-ND2 3.47Å; W127-N131 PolarHBondContact O-N 3.03Å; D128-N131 PolarHBondContact O-N 3.08Å; N131-L135 HydrophobicContact CB-CB 4.18Å; N131-L135 HydrophobicContact CB-CD2 4.36Å; N131-L135 WeakPolarHBondContact O-CA 3.38Å; N131-L135 VanDerWaalsContact O-CB 3.3Å; N131-L135 WeakPolarHBondContact O-CB 3.45Å; N131-L135 PolarHBondContact O-N 2.8Å; N131-K136 PolarHBondContact O-N 3.03Å; N131-A182 PolarHBondContact ND2-O 3.5Å; N131-G186 WeakPolarHBondContact OD1-CA 3.49Å
132N97Very high96.9Very high43 Ų4343.6 Ų43.623%0.2323%0.232CC..Iπ-helixtrans-66.5-55.3179.8-166.524.9000110.8D128 K136 N137D128-N132 HydrophobicContact CB-CB 4.45Å; D128-N132 WeakPolarHBondContact O-CB 3.46Å; D128-N132 PolarHBondContact O-N 2.7Å; N132-K136 WeakPolarHBondContact O-CB 3.3Å; N132-K136 PolarHBondContact O-N 2.79Å; N132-K136 WeakPolarHBondContact OD1-CD 3.14Å; N132-N137 PolarHBondContact O-N 3.04Å
133T96.1Very high97Very high14 Ų1443 Ų439%0.08623%0.225CC..Iπ-helixtrans-76.5-39.9176.4-48.80000112.3H72 A100 S102 N137H72-T133 HydrophobicContact CB-CG2 3.82Å; A100-T133 HydrophobicContact CB-CG2 3.89Å; S102-T133 VanDerWaalsContact OG-CB 3.31Å; S102-T133 WeakPolarHBondContact OG-CB 3.47Å; S102-T133 PolarHBondContact OG-OG1 3.44Å; T133-N137 WeakPolarHBondContact O-CB 3.27Å; T133-N137 PolarHBondContact O-ND2 2.94Å
134G95.4Very high97.2Very high3 Ų339 Ų393%0.03120%0.198CC..Iπ-helixtrans-86.5-7.1-169.700000116.6H138G134-H138 VanDerWaalsContact C-ND1 3.26Å; G134-H138 PolarHBondContact O-CE1 3.4Å; G134-H138 PolarHBondContact O-ND1 2.91Å
135L98.2Very high97.3Very high26 Ų2637.1 Ų37.114%0.13618%0.178CC..Iπ-helixtrans-139.5-60-179.9176.166.4000111.5N131 N137 H138 Y139 A189 L190 L193N131-L135 HydrophobicContact CB-CB 4.18Å; N131-L135 HydrophobicContact CB-CD2 4.36Å; N131-L135 WeakPolarHBondContact O-CA 3.38Å; N131-L135 VanDerWaalsContact O-CB 3.3Å; N131-L135 WeakPolarHBondContact O-CB 3.45Å; N131-L135 PolarHBondContact O-N 2.8Å; L135-N137 PolarHBondContact O-N 3.28Å; L135-H138 PolarHBondContact O-N 3.28Å; L135-H138 VanDerWaalsContact O-N 3.13Å; L135-Y139 PolarHBondContact O-N 2.7Å; L135-Y139 VanDerWaalsContact O-N 3.09Å; L135-A189 HydrophobicContact CD1-CB 3.85Å; L135-A189 HydrophobicContact CD2-CB 3.74Å; L135-A189 HydrophobicContact CG-CB 4.46Å; L135-L190 HydrophobicContact CD1-CB 4.11Å; L135-L190 HydrophobicContact CD1-CD1 4.48Å; L135-L193 HydrophobicContact CD1-CD1 3.6Å
136K98.4Very high97.5Very high110 Ų11033.1 Ų33.148%0.47816%0.161SC..Iπ-helixtrans-59-48-177.6-177.4-170.1177.3-173.20111.1N131 N132 H138 Y139 I140N131-K136 PolarHBondContact O-N 3.03Å; N132-K136 WeakPolarHBondContact O-CB 3.3Å; N132-K136 PolarHBondContact O-N 2.79Å; N132-K136 WeakPolarHBondContact OD1-CD 3.14Å; K136-H138 VanDerWaalsContact C-N 3.35Å; K136-H138 PolarHBondContact O-N 2.86Å; K136-Y139 WeakPolarHBondContact O-CB 3.26Å; K136-Y139 PolarHBondContact O-N 3.05Å; K136-I140 HydrophobicContact CG-CD1 4.06Å; K136-I140 WeakPolarHBondContact O-CG1 3.45Å; K136-I140 PolarHBondContact O-N 2.84Å
137N98.2Very high97.6Very high1 Ų140.4 Ų40.41%0.00519%0.186CC..Hα-helixtrans-62.2-38.4176156.576.6000113.5H72 I78 N132 T133 L135 Y139 I140 C141H72-N137 HydrophobicContact CB-CB 4.35Å; H72-N137 PolarHBondContact ND1-OD1 3.15Å; H72-N137 WeakPolarHBondContact O-CB 3.22Å; I78-N137 HydrophobicContact CD1-CB 4.16Å; I78-N137 WeakPolarHBondContact CD1-OD1 3.31Å; N132-N137 PolarHBondContact O-N 3.04Å; T133-N137 WeakPolarHBondContact O-CB 3.27Å; T133-N137 PolarHBondContact O-ND2 2.94Å; L135-N137 PolarHBondContact O-N 3.28Å; N137-Y139 VanDerWaalsContact C-N 3.25Å; N137-Y139 PolarHBondContact O-N 3.5Å; N137-I140 PolarHBondContact O-N 2.84Å; N137-I140 VanDerWaalsContact O-N 3.14Å; N137-C141 WeakPolarHBondContact O-CB 3.48Å; N137-C141 PolarHBondContact O-N 3.2Å; N137-C141 PolarHBondContact OD1-SG 3.09Å; N137-C141 VanDerWaalsContact OD1-SG 3.33Å
138H98.6Very high97.7Very high1 Ų135.8 Ų35.81%0.00517%0.17CC..Hα-helixtrans-61.7-36.7176.2-63.8151.1000112N98 N99 A100 G134 L135 K136 S142 L190N98-H138 HydrophobicContact CB-CB 3.99Å; N98-H138 WeakPolarHBondContact CB-CD2 3.31Å; N98-H138 PolarHBondContact ND2-O 3.05Å; N99-H138 PolarHBondContact N-NE2 3.47Å; A100-H138 PolarHBondContact N-NE2 2.94Å; A100-H138 PolarHBondContact O-CE1 2.87Å; A100-H138 PolarHBondContact O-NE2 3.38Å; G134-H138 VanDerWaalsContact C-ND1 3.26Å; G134-H138 PolarHBondContact O-CE1 3.4Å; G134-H138 PolarHBondContact O-ND1 2.91Å; L135-H138 PolarHBondContact O-N 3.28Å; L135-H138 VanDerWaalsContact O-N 3.13Å; K136-H138 VanDerWaalsContact C-N 3.35Å; K136-H138 PolarHBondContact O-N 2.86Å; H138-S142 VanDerWaalsContact O-CB 3.3Å; H138-S142 WeakPolarHBondContact O-CB 3.14Å; H138-S142 PolarHBondContact O-N 3.25Å; H138-S142 PolarHBondContact O-OG 3.25Å; H138-L190 HydrophobicContact CB-CD1 3.94Å
139Y98.8Very high97.8Very high121 Ų12131.8 Ų31.848%0.47515%0.148SC..Hα-helixtrans-64.2-49171178.7-111000112L135 K136 N137 C141 S142 V143 L193L135-Y139 PolarHBondContact O-N 2.7Å; L135-Y139 VanDerWaalsContact O-N 3.09Å; K136-Y139 WeakPolarHBondContact O-CB 3.26Å; K136-Y139 PolarHBondContact O-N 3.05Å; N137-Y139 VanDerWaalsContact C-N 3.25Å; N137-Y139 PolarHBondContact O-N 3.5Å; Y139-C141 PolarHBondContact O-N 2.86Å; Y139-S142 PolarHBondContact O-N 3.12Å; Y139-S142 VanDerWaalsContact O-N 3.14Å; Y139-V143 HydrophobicContact CD1-CG2 4.47Å; Y139-V143 HydrophobicContact CD2-CG2 4.24Å; Y139-V143 HydrophobicContact CE1-CG2 4.06Å; Y139-V143 HydrophobicContact CE2-CG2 3.8Å; Y139-V143 WeakPolarHBondContact O-CG2 3.24Å; Y139-V143 PolarHBondContact O-N 2.79Å; Y139-L193 HydrophobicContact CD2-CD2 3.91Å; Y139-L193 HydrophobicContact CE2-CD2 4.43Å
140I98.8Very high97.9Very high23 Ų2332 Ų3212%0.11815%0.147CC..Hα-helixtrans-57.3-51.2178.7-65.2164.3000111E75 I78 K136 N137 S142 V143 L144E75-I140 HydrophobicContact CB-CD1 4.43Å; E75-I140 HydrophobicContact CG-CD1 4.09Å; E75-I140 HydrophobicContact CG-CG2 4.3Å; I78-I140 HydrophobicContact CB-CG2 4.44Å; I78-I140 HydrophobicContact CD1-CG2 4.38Å; I78-I140 HydrophobicContact CG2-CG2 3.84Å; K136-I140 HydrophobicContact CG-CD1 4.06Å; K136-I140 WeakPolarHBondContact O-CG1 3.45Å; K136-I140 PolarHBondContact O-N 2.84Å; N137-I140 PolarHBondContact O-N 2.84Å; N137-I140 VanDerWaalsContact O-N 3.14Å; I140-S142 VanDerWaalsContact C-N 3.3Å; I140-S142 PolarHBondContact O-N 2.74Å; I140-V143 PolarHBondContact O-N 3.17Å; I140-L144 HydrophobicContact CG2-CD1 3.94Å; I140-L144 WeakPolarHBondContact O-CG 3.38Å; I140-L144 PolarHBondContact O-N 3.28Å
141C98.8Very high97.9Very high0 Ų036.3 Ų36.30%017%0.167CC..Hα-helixtrans-58.2-42.2176.6-75.80000111.7F82 N98 N137 Y139 L144 A145F82-C141 HydrophobicContact CE2-CB 4.24Å; F82-C141 HydrophobicContact CZ-CB 4.19Å; F82-C141 WeakPolarHBondContact CZ-O 3.39Å; N98-C141 VanDerWaalsContact OD1-CB 3.27Å; N98-C141 WeakPolarHBondContact OD1-CB 3.49Å; N137-C141 WeakPolarHBondContact O-CB 3.48Å; N137-C141 PolarHBondContact O-N 3.2Å; N137-C141 PolarHBondContact OD1-SG 3.09Å; N137-C141 VanDerWaalsContact OD1-SG 3.33Å; Y139-C141 PolarHBondContact O-N 2.86Å; C141-L144 PolarHBondContact O-N 3.37Å; C141-A145 WeakPolarHBondContact O-CB 3.42Å; C141-A145 PolarHBondContact O-N 3.05Å
142S98.8Very high97.8Very high0 Ų038 Ų380%017%0.174CC..Hα-helixtrans-64.2-41.8178.6-58.10000112.2N98 H138 Y139 I140 T146 M197N98-S142 PolarHBondContact ND2-OG 3.29Å; H138-S142 VanDerWaalsContact O-CB 3.3Å; H138-S142 WeakPolarHBondContact O-CB 3.14Å; H138-S142 PolarHBondContact O-N 3.25Å; H138-S142 PolarHBondContact O-OG 3.25Å; Y139-S142 PolarHBondContact O-N 3.12Å; Y139-S142 VanDerWaalsContact O-N 3.14Å; I140-S142 VanDerWaalsContact C-N 3.3Å; I140-S142 PolarHBondContact O-N 2.74Å; S142-T146 WeakPolarHBondContact O-CB 3.27Å; S142-T146 PolarHBondContact O-N 3.43Å; S142-T146 PolarHBondContact O-OG1 3.26Å; S142-M197 VanDerWaalsContact CB-SD 3.55Å
143V98.8Very high97.6Very high36 Ų3638 Ų3822%0.21817%0.172CC..Hα-helixtrans-63.5-48.9177.4170.50000111.2Y139 I140 T146 R147Y139-V143 HydrophobicContact CD1-CG2 4.47Å; Y139-V143 HydrophobicContact CD2-CG2 4.24Å; Y139-V143 HydrophobicContact CE1-CG2 4.06Å; Y139-V143 HydrophobicContact CE2-CG2 3.8Å; Y139-V143 WeakPolarHBondContact O-CG2 3.24Å; Y139-V143 PolarHBondContact O-N 2.79Å; I140-V143 PolarHBondContact O-N 3.17Å; V143-T146 PolarHBondContact O-N 2.57Å; V143-R147 WeakPolarHBondContact O-CG 3.43Å; V143-R147 PolarHBondContact O-N 3.14Å; V143-R147 VanDerWaalsContact O-N 3.1Å
144L98.8Very high97.4Very high35 Ų3543.5 Ų43.518%0.18320%0.195CC..Hα-helixtrans-65.8-43-179.3-65174.6000111.5I78 K79 F82 I140 C141 R147 M148I78-L144 HydrophobicContact CG2-CD1 3.95Å; K79-L144 HydrophobicContact CG-CD1 4.28Å; F82-L144 HydrophobicContact CB-CB 4.39Å; F82-L144 HydrophobicContact CB-CD1 4.43Å; F82-L144 HydrophobicContact CD1-CB 3.79Å; F82-L144 HydrophobicContact CD2-CB 3.66Å; F82-L144 HydrophobicContact CD2-CD1 3.45Å; F82-L144 VanDerWaalsContact CD2-CD1 3.45Å; F82-L144 HydrophobicContact CD2-CG 4.21Å; F82-L144 HydrophobicContact CE1-CB 3.91Å; F82-L144 HydrophobicContact CE2-CB 3.79Å; F82-L144 HydrophobicContact CE2-CD1 3.91Å; F82-L144 HydrophobicContact CE2-CG 4.49Å; F82-L144 HydrophobicContact CG-CB 3.67Å; F82-L144 HydrophobicContact CG-CD1 4.05Å; F82-L144 HydrophobicContact CG-CG 4.48Å; F82-L144 HydrophobicContact CZ-CB 3.91Å; I140-L144 HydrophobicContact CG2-CD1 3.94Å; I140-L144 WeakPolarHBondContact O-CG 3.38Å; I140-L144 PolarHBondContact O-N 3.28Å; C141-L144 PolarHBondContact O-N 3.37Å; L144-R147 PolarHBondContact O-N 2.78Å; L144-M148 PolarHBondContact O-N 2.84Å; L144-M148 VanDerWaalsContact O-N 3.09Å
145A98.8Very high97.3Very high0 Ų049.4 Ų49.40%022%0.22CC..Hα-helixtrans-60.8-47.6175.500000112.1F82 L93 V96 C141 R147 M148 M149 I166F82-A145 HydrophobicContact CE1-CB 3.82Å; F82-A145 HydrophobicContact CZ-CB 4.17Å; L93-A145 HydrophobicContact CD2-CB 4.13Å; V96-A145 HydrophobicContact CB-CB 4.31Å; V96-A145 HydrophobicContact CG2-CB 3.58Å; C141-A145 WeakPolarHBondContact O-CB 3.42Å; C141-A145 PolarHBondContact O-N 3.05Å; A145-R147 VanDerWaalsContact C-N 3.34Å; A145-R147 PolarHBondContact O-N 2.82Å; A145-M148 PolarHBondContact O-N 2.79Å; A145-M149 WeakPolarHBondContact O-CB 3.4Å; A145-M149 VanDerWaalsContact O-CG 3.27Å; A145-M149 WeakPolarHBondContact O-CG 3.45Å; A145-M149 PolarHBondContact O-N 3.33Å; A145-I166 HydrophobicContact CB-CD1 4.35Å
146T98.8Very high96.7Very high22 Ų2251.2 Ų51.214%0.13523%0.229CC..Hα-helixtrans-58.3-46.5179.7-63.70000111.2S142 V143 M148 M149 I150 I166 L201 I208S142-T146 WeakPolarHBondContact O-CB 3.27Å; S142-T146 PolarHBondContact O-N 3.43Å; S142-T146 PolarHBondContact O-OG1 3.26Å; V143-T146 PolarHBondContact O-N 2.57Å; T146-M148 PolarHBondContact O-N 3.27Å; T146-M149 PolarHBondContact O-N 3.02Å; T146-I150 HydrophobicContact CG2-CD1 3.8Å; T146-I150 HydrophobicContact CG2-CG1 4.49Å; T146-I150 WeakPolarHBondContact O-CB 3.4Å; T146-I150 VanDerWaalsContact O-CG1 3.28Å; T146-I150 WeakPolarHBondContact O-CG1 3.46Å; T146-I150 PolarHBondContact O-N 3.39Å; T146-I166 WeakPolarHBondContact OG1-CD1 3.48Å; T146-L201 HydrophobicContact CG2-CD2 3.74Å; T146-I208 HydrophobicContact CG2-CD1 4.08Å
147R98.4Very high95.6Very high164 Ų16453.9 Ų53.962%0.61925%0.249SC*.Hα-helixtrans-59.1-47.4176.7-72.9172.8176.8172.4-0.1111.6V143 L144 A145 I150 E151V143-R147 WeakPolarHBondContact O-CG 3.43Å; V143-R147 PolarHBondContact O-N 3.14Å; V143-R147 VanDerWaalsContact O-N 3.1Å; L144-R147 PolarHBondContact O-N 2.78Å; A145-R147 VanDerWaalsContact C-N 3.34Å; A145-R147 PolarHBondContact O-N 2.82Å; R147-I150 PolarHBondContact O-N 2.6Å; R147-E151 WeakPolarHBondContact O-CG 3.33Å; R147-E151 PolarHBondContact O-N 3.39Å
148M98.1Very high94.6Very high16 Ų1656.7 Ų56.78%0.07927%0.268CS..Hα-helixtrans-64.5-42.7-179.2-150.4176.8105.500111.9F82 I85 D86 G91 R92 L93 L144 A145 T146 E151 Y152F82-M148 HydrophobicContact CD1-SD 4.33Å; I85-M148 HydrophobicContact CB-CE 4.32Å; I85-M148 HydrophobicContact CG2-CE 3.63Å; D86-M148 HydrophobicContact CB-SD 3.97Å; G91-M148 WeakPolarHBondContact O-CE 3.48Å; R92-M148 WeakPolarHBondContact O-CE 3.42Å; L93-M148 HydrophobicContact CB-CE 3.33Å; L93-M148 HydrophobicContact CD2-CE 4.13Å; L93-M148 HydrophobicContact CG-CE 4.35Å; L144-M148 PolarHBondContact O-N 2.84Å; L144-M148 VanDerWaalsContact O-N 3.09Å; A145-M148 PolarHBondContact O-N 2.79Å; T146-M148 PolarHBondContact O-N 3.27Å; M148-E151 PolarHBondContact O-N 2.9Å; M148-Y152 WeakPolarHBondContact O-CB 3.32Å; M148-Y152 PolarHBondContact O-N 3.31Å
149M97.9Very high93.4Very high3 Ų363 Ų632%0.01531%0.312CS..Hα-helixtrans-61.9-43.9176-74.9173.5177.400112.1L93 V96 A145 T146 Y152 Q153 I166 I208L93-M149 HydrophobicContact CG-CE 4.13Å; L93-M149 WeakPolarHBondContact O-CE 3.39Å; L93-M149 VanDerWaalsContact O-CG 3.26Å; L93-M149 WeakPolarHBondContact O-CG 3.34Å; V96-M149 HydrophobicContact CG2-CE 3.98Å; A145-M149 WeakPolarHBondContact O-CB 3.4Å; A145-M149 VanDerWaalsContact O-CG 3.27Å; A145-M149 WeakPolarHBondContact O-CG 3.45Å; A145-M149 PolarHBondContact O-N 3.33Å; T146-M149 PolarHBondContact O-N 3.02Å; M149-Y152 PolarHBondContact O-N 2.93Å; M149-Q153 WeakPolarHBondContact O-CB 3.49Å; M149-Q153 VanDerWaalsContact O-CG 3.26Å; M149-Q153 WeakPolarHBondContact O-CG 3.26Å; M149-Q153 PolarHBondContact O-N 2.79Å; M149-I166 HydrophobicContact CE-CG1 4.37Å; M149-I166 HydrophobicContact SD-CG1 4.29Å; M149-I208 HydrophobicContact CB-CD1 3.49Å; M149-I208 VanDerWaalsContact CB-CD1 3.49Å; M149-I208 HydrophobicContact CB-CG1 4.1Å; M149-I208 HydrophobicContact CG-CD1 4.35Å; M149-I208 HydrophobicContact SD-CD1 4.01Å; M149-I208 HydrophobicContact SD-CG1 4.17Å; M149-I208 HydrophobicContact SD-CG2 4.19Å
150I96.4Very high92.3Very high45 Ų4561.9 Ų61.923%0.23132%0.322CS..Hα-helixtrans-60.8-48.5176-72.7167.6000110.6T146 R147 Y152 Q153 K154 V206 I208T146-I150 HydrophobicContact CG2-CD1 3.8Å; T146-I150 HydrophobicContact CG2-CG1 4.49Å; T146-I150 WeakPolarHBondContact O-CB 3.4Å; T146-I150 VanDerWaalsContact O-CG1 3.28Å; T146-I150 WeakPolarHBondContact O-CG1 3.46Å; T146-I150 PolarHBondContact O-N 3.39Å; R147-I150 PolarHBondContact O-N 2.6Å; I150-Y152 VanDerWaalsContact C-N 3.3Å; I150-Y152 PolarHBondContact O-N 3.37Å; I150-Q153 PolarHBondContact O-N 3.38Å; I150-K154 HydrophobicContact CG2-CD 4.43Å; I150-K154 WeakPolarHBondContact O-CG 3.13Å; I150-K154 PolarHBondContact O-N 2.94Å; I150-V206 HydrophobicContact CD1-CG1 4.03Å; I150-V206 HydrophobicContact CD1-CG2 4.17Å; I150-V206 HydrophobicContact CG1-CG1 3.62Å; I150-V206 HydrophobicContact CG1-CG2 4.39Å; I150-I208 HydrophobicContact CG1-CD1 4.17Å
151E96Very high91.7Very high91 Ų9161.8 Ų61.843%0.42533%0.325SS..Hα-helixtrans-64.3-35.9179.5-69.4-51.7123.900112.2R147 M148 K154 K155R147-E151 WeakPolarHBondContact O-CG 3.33Å; R147-E151 PolarHBondContact O-N 3.39Å; M148-E151 PolarHBondContact O-N 2.9Å; E151-K154 IonicContact OE1-NZ 2.63Å; E151-K154 PolarHBondContact OE1-NZ 3.35Å; E151-K154 IonicContact OE2-NZ 3.99Å; E151-K155 WeakPolarHBondContact O-CG 3.29Å; E151-K155 PolarHBondContact O-N 3.12Å
152Y95.3Very high91.4Very high45 Ų4566.3 Ų66.318%0.17635%0.346CS..Hα-helixtrans-67.1-42.3174-173.6-114.5000112.4G91 R92 M148 M149 I150 K154 K155 L156G91-Y152 WeakPolarHBondContact O-CB 3.27Å; R92-Y152 HydrophobicContact CB-CD1 4.38Å; R92-Y152 HydrophobicContact CB-CD2 4.02Å; R92-Y152 HydrophobicContact CB-CE1 4.05Å; R92-Y152 HydrophobicContact CB-CE2 3.69Å; R92-Y152 HydrophobicContact CB-CG 4.38Å; R92-Y152 WeakPolarHBondContact CD-OH 3.39Å; R92-Y152 HydrophobicContact CG-CD1 4.15Å; R92-Y152 HydrophobicContact CG-CE1 3.59Å; R92-Y152 HydrophobicContact CG-CE2 4.14Å; M148-Y152 WeakPolarHBondContact O-CB 3.32Å; M148-Y152 PolarHBondContact O-N 3.31Å; M149-Y152 PolarHBondContact O-N 2.93Å; I150-Y152 VanDerWaalsContact C-N 3.3Å; I150-Y152 PolarHBondContact O-N 3.37Å; Y152-K154 VanDerWaalsContact C-N 3.33Å; Y152-K154 PolarHBondContact O-N 3.39Å; Y152-K155 WeakPolarHBondContact O-CB 3.31Å; Y152-K155 PolarHBondContact O-N 2.77Å; Y152-L156 HydrophobicContact CD1-CD1 3.77Å; Y152-L156 HydrophobicContact CD1-CG 4.37Å; Y152-L156 HydrophobicContact CE1-CD1 3.39Å; Y152-L156 HydrophobicContact CE1-CD2 4.39Å; Y152-L156 HydrophobicContact CE1-CG 3.98Å; Y152-L156 PolarHBondContact O-N 3.48Å; Y152-L156 VanDerWaalsContact O-N 3.11Å
153Q92.5Very high91.3Very high41 Ų4166.8 Ų66.819%0.19235%0.349CS..Hα-helixtrans-62.7-38.4177.1-76.1175.2-0.300112.5M149 I150 K155 L156 N207M149-Q153 WeakPolarHBondContact O-CB 3.49Å; M149-Q153 VanDerWaalsContact O-CG 3.26Å; M149-Q153 WeakPolarHBondContact O-CG 3.26Å; M149-Q153 PolarHBondContact O-N 2.79Å; I150-Q153 PolarHBondContact O-N 3.38Å; Q153-K155 PolarHBondContact O-N 2.86Å; Q153-L156 CarbonylContact O-C 3.53Å; Q153-L156 PolarHBondContact O-N 3.35Å; Q153-L156 VanDerWaalsContact O-N 3.13Å; Q153-N207 PolarHBondContact NE2-O 3.42Å
154K92.4Very high91.2Very high131 Ų13165.2 Ų65.257%0.5734%0.34SS*.Hα-helixtrans-59.7-30.5173.3-70.4172-175.91710112.9I150 E151 Y152I150-K154 HydrophobicContact CG2-CD 4.43Å; I150-K154 WeakPolarHBondContact O-CG 3.13Å; I150-K154 PolarHBondContact O-N 2.94Å; E151-K154 IonicContact OE1-NZ 2.63Å; E151-K154 PolarHBondContact OE1-NZ 3.35Å; E151-K154 IonicContact OE2-NZ 3.99Å; Y152-K154 VanDerWaalsContact C-N 3.33Å; Y152-K154 PolarHBondContact O-N 3.39Å
155K92Very high91.2Very high127 Ų12763.7 Ų63.755%0.55233%0.332SS*.Hα-helixtrans-78.9-30.7177.2-63.2168.1-173.4173.80112.1E151 Y152 Q153 N157E151-K155 WeakPolarHBondContact O-CG 3.29Å; E151-K155 PolarHBondContact O-N 3.12Å; Y152-K155 WeakPolarHBondContact O-CB 3.31Å; Y152-K155 PolarHBondContact O-N 2.77Å; Q153-K155 PolarHBondContact O-N 2.86Å; K155-N157 PolarHBondContact O-N 3.12Å; K155-N157 VanDerWaalsContact O-N 3.16Å
156L85.6Confident91.2Very high64 Ų6463.7 Ų63.734%0.33533%0.332SS..SBendtrans-7793.9172.9-68.6172.1000108.3Y152 Q153 S158 A161Y152-L156 HydrophobicContact CD1-CD1 3.77Å; Y152-L156 HydrophobicContact CD1-CG 4.37Å; Y152-L156 HydrophobicContact CE1-CD1 3.39Å; Y152-L156 HydrophobicContact CE1-CD2 4.39Å; Y152-L156 HydrophobicContact CE1-CG 3.98Å; Y152-L156 PolarHBondContact O-N 3.48Å; Y152-L156 VanDerWaalsContact O-N 3.11Å; Q153-L156 CarbonylContact O-C 3.53Å; Q153-L156 PolarHBondContact O-N 3.35Å; Q153-L156 VanDerWaalsContact O-N 3.13Å; L156-S158 PolarHBondContact O-N 3.19Å; L156-A161 HydrophobicContact CD1-CB 4.14Å
157N75.2Confident91.2Very high166 Ų16662.6 Ų62.689%0.88833%0.326SS*.  trans-67.952.9172.8-72.2-29.4000112.1K155K155-N157 PolarHBondContact O-N 3.12Å; K155-N157 VanDerWaalsContact O-N 3.16Å
158S77.4Confident91.3Very high59 Ų5954.8 Ų54.841%0.41330%0.296SS..  trans-144.3123.5-174.5177.80000111.1L156 S160L156-S158 PolarHBondContact O-N 3.19Å; S158-S160 PolarHBondContact O-N 3.5Å; S158-S160 PolarHBondContact OG-N 2.94Å; S158-S160 PolarHBondContact OG-OG 2.81Å
159S73.4Confident91.3Very high134 Ų13454.5 Ų54.594%0.93730%0.295SS*.THydrogen-bonded Turntrans-76.4-6172.837.90000113.7
160S76Confident91.2Very high98 Ų9854.5 Ų54.569%0.68530%0.295SS*.THydrogen-bonded Turntrans-104.813.5179.843.40000113.7S158S158-S160 PolarHBondContact O-N 3.5Å; S158-S160 PolarHBondContact OG-N 2.94Å; S158-S160 PolarHBondContact OG-OG 2.81Å
161A86.2Confident91.2Very high20 Ų2053 Ų5317%0.16529%0.288CS..PPolyproline II helixtrans-61.8139.4174.600000111.5L156 N207L156-A161 HydrophobicContact CD1-CB 4.14Å; A161-N207 PolarHBondContact O-ND2 2.92Å
162Q93Very high91.1Very high96 Ų9650.3 Ų50.345%0.44928%0.277SS..PPolyproline II helixtrans-60.2139.1171.6-80.8-68.81.500110.3E255Q162-E255 PolarHBondContact NE2-O 2.75Å
163P96Very high91Very high9 Ų948.2 Ų48.26%0.05827%0.269CS..PPolyproline II helixtrans-62.3143.4175.5-16.528.9000110.8N207 P257 L260 L261P163-N207 CarbonylContact C-O 3.6Å; P163-N207 WeakPolarHBondContact CA-O 3.49Å; P163-N207 WeakPolarHBondContact CB-OD1 3.44Å; P163-N207 WeakPolarHBondContact CG-OD1 3.2Å; P163-P257 HydrophobicContact CG-CB 4Å; P163-L260 HydrophobicContact CB-CD2 4.23Å; P163-L260 HydrophobicContact CG-CD2 4.26Å; P163-L261 HydrophobicContact CB-CD2 3.93Å; P163-L261 HydrophobicContact CB-CG 4.19Å; P163-L261 HydrophobicContact CG-CD1 4.2Å; P163-L261 HydrophobicContact CG-CD2 4.08Å; P163-L261 HydrophobicContact CG-CG 3.77Å
164G97.8Very high91.1Very high4 Ų447 Ų474%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-61.9149.516400000110.1D94 N207 I208 S209D94-G164 WeakPolarHBondContact O-CA 3.45Å; G164-N207 PolarHBondContact N-O 2.94Å; G164-I208 CarbonylContact O-C 3.6Å; G164-I208 WeakPolarHBondContact O-CA 3.19Å; G164-S209 PolarHBondContact O-N 3.34Å
165L98.8Very high91.1Very high2 Ų244 Ų441%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-125.5117-178.8178.956.8000111.1D94 I95 V96 V167 S209 V211 M252 A253 L260D94-L165 PolarHBondContact O-N 2.57Å; I95-L165 CarbonylContact C-O 3.57Å; I95-L165 VanDerWaalsContact CA-O 3.3Å; I95-L165 WeakPolarHBondContact CA-O 3.48Å; I95-L165 HydrophobicContact CG1-CB 4.38Å; I95-L165 HydrophobicContact CG2-CB 4.48Å; I95-L165 HydrophobicContact CG2-CD2 4.46Å; I95-L165 HydrophobicContact CG2-CG 4.49Å; V96-L165 PolarHBondContact N-O 3.23Å; L165-V167 HydrophobicContact CD1-CG2 4.03Å; L165-V167 HydrophobicContact CD2-CG2 4.01Å; L165-V167 HydrophobicContact CG-CG2 3.73Å; L165-S209 WeakPolarHBondContact CA-O 3.44Å; L165-V211 HydrophobicContact CD1-CG2 3.89Å; L165-M252 HydrophobicContact CD2-CB 4.24Å; L165-A253 HydrophobicContact CD2-CB 4.32Å; L165-L260 HydrophobicContact CD1-CD1 3.98Å; L165-L260 HydrophobicContact CD2-CD1 4.41Å
166I98.9Very high91.2Very high0 Ų038.9 Ų38.90%023%0.233CC..EExtended strand (participates in β ladder)trans-106.8118.3170.6-58.4176.4000108.2V96 A145 T146 M149 I208 S209 V210 V211V96-I166 CarbonylContact O-C 3.55Å; V96-I166 WeakPolarHBondContact O-CA 3.34Å; A145-I166 HydrophobicContact CB-CD1 4.35Å; T146-I166 WeakPolarHBondContact OG1-CD1 3.48Å; M149-I166 HydrophobicContact CE-CG1 4.37Å; M149-I166 HydrophobicContact SD-CG1 4.29Å; I166-I208 HydrophobicContact CD1-CG2 4.17Å; I166-I208 HydrophobicContact CG1-CG2 4.27Å; I166-S209 PolarHBondContact N-O 3.05Å; I166-V210 HydrophobicContact CB-CG1 4.25Å; I166-V210 HydrophobicContact CB-CG2 4.23Å; I166-V210 HydrophobicContact CD1-CG2 4.4Å; I166-V210 HydrophobicContact CG2-CG1 4.29Å; I166-V210 CarbonylContact O-C 3.58Å; I166-V210 WeakPolarHBondContact O-CA 3.45Å; I166-V211 PolarHBondContact O-N 3.21Å
167V98.9Very high91.4Very high0 Ų042.4 Ų42.40%024%0.243CC..EExtended strand (participates in β ladder)trans-110.7119.3179.7-173.90000109.6V96 V97 N98 L165 I169 V211 V213 I249V96-V167 PolarHBondContact O-N 3.42Å; V97-V167 WeakPolarHBondContact CA-O 3.28Å; V97-V167 HydrophobicContact CG1-CB 4.47Å; V97-V167 HydrophobicContact CG2-CB 4.35Å; N98-V167 WeakPolarHBondContact CB-O 3.39Å; N98-V167 PolarHBondContact N-O 3.09Å; L165-V167 HydrophobicContact CD1-CG2 4.03Å; L165-V167 HydrophobicContact CD2-CG2 4.01Å; L165-V167 HydrophobicContact CG-CG2 3.73Å; V167-I169 HydrophobicContact CG1-CD1 4Å; V167-V211 WeakPolarHBondContact CA-O 3.14Å; V167-V211 HydrophobicContact CB-CG2 4.43Å; V167-V211 HydrophobicContact CG1-CG2 4.36Å; V167-V211 HydrophobicContact CG2-CG2 4Å; V167-V213 HydrophobicContact CG1-CB 3.99Å; V167-V213 HydrophobicContact CG1-CG2 3.64Å; V167-I249 HydrophobicContact CG1-CD1 3.94Å; V167-I249 HydrophobicContact CG1-CG1 4.16Å; V167-I249 HydrophobicContact CG2-CG1 4.43Å; V167-I249 HydrophobicContact CG2-CG2 4.17Å
168N98.8Very high92.1Very high0 Ų036.6 Ų36.60%021%0.212CC..EExtended strand (participates in β ladder)trans-95.9118.1171.4-68.1-38.8000110N98 T170 L190 T194 V211 G212 V213N98-N168 VanDerWaalsContact CB-OD1 3.26Å; N98-N168 WeakPolarHBondContact CB-OD1 3.5Å; N98-N168 PolarHBondContact ND2-OD1 2.86Å; N168-T170 PolarHBondContact O-N 2.87Å; N168-T170 VanDerWaalsContact O-N 3.1Å; N168-L190 HydrophobicContact CB-CD1 3.95Å; N168-L190 HydrophobicContact CB-CD2 4.21Å; N168-L190 HydrophobicContact CB-CG 3.98Å; N168-T194 PolarHBondContact ND2-OG1 3.1Å; N168-V211 PolarHBondContact N-O 3.26Å; N168-G212 WeakPolarHBondContact O-CA 3.39Å; N168-V213 PolarHBondContact O-N 3.18Å
169I98.4Very high92.7Very high9 Ų936.9 Ų36.95%0.04621%0.205CC..EExtended strand (participates in β ladder)trans-77.6100.4174.1-55.5-53.7000109.1I18 I22 V97 N98 N99 V167 K187 V213 P215 V245 I249I18-I169 HydrophobicContact CG2-CG2 4.29Å; I22-I169 HydrophobicContact CD1-CD1 3.76Å; I22-I169 HydrophobicContact CD1-CG1 4.04Å; V97-I169 HydrophobicContact CG1-CD1 4.02Å; V97-I169 HydrophobicContact CG1-CG1 3.9Å; N98-I169 PolarHBondContact O-N 3.05Å; N99-I169 HydrophobicContact CB-CB 4.36Å; N99-I169 HydrophobicContact CB-CG1 3.8Å; V167-I169 HydrophobicContact CG1-CD1 4Å; I169-K187 PolarHBondContact O-NZ 2.98Å; I169-V213 WeakPolarHBondContact CA-O 3.43Å; I169-V213 HydrophobicContact CD1-CB 4.23Å; I169-P215 HydrophobicContact CG2-CG 4.02Å; I169-V245 HydrophobicContact CD1-CG1 4.09Å; I169-I249 HydrophobicContact CD1-CD1 4.17Å
170T97.3Very high93.5Very high4 Ų430.7 Ų30.73%0.02516%0.162CC..  trans-102.3-161.7-178.7-165.70000111.3N168 D191 V213 I267N168-T170 PolarHBondContact O-N 2.87Å; N168-T170 VanDerWaalsContact O-N 3.1Å; T170-D191 WeakPolarHBondContact CB-OD1 3.34Å; T170-D191 VanDerWaalsContact CG2-OD1 3.26Å; T170-D191 WeakPolarHBondContact CG2-OD1 3.33Å; T170-D191 PolarHBondContact OG1-OD1 3.23Å; T170-V213 PolarHBondContact N-O 3.02Å; T170-I267 HydrophobicContact CG2-CG2 3.53Å
171S96Very high94.3Very high13 Ų1329 Ų299%0.09115%0.147CC..  trans-156.3155.4-177.5173.70000109.9G173 G174 Y183 S214S171-G173 PolarHBondContact O-N 3.34Å; S171-G173 PolarHBondContact OG-N 3.07Å; S171-G174 PolarHBondContact O-N 3.45Å; S171-Y183 WeakPolarHBondContact CB-OH 3.26Å; S171-Y183 PolarHBondContact OG-OH 3.25Å; S171-S214 WeakPolarHBondContact CA-OG 3.19Å
172I93.8Very high94.8Very high34 Ų3428.7 Ų28.717%0.17415%0.145CC..G310 helixtrans-53.6-24.116664.1174.2000112.2G174 K175 I176 L178 S214 L269 I290 Y320I172-G174 PolarHBondContact O-N 2.78Å; I172-G174 VanDerWaalsContact O-N 3.09Å; I172-K175 PolarHBondContact O-N 3.06Å; I172-I176 HydrophobicContact CD1-CD1 4.03Å; I172-I176 HydrophobicContact CG1-CD1 4.26Å; I172-I176 VanDerWaalsContact O-CG1 3.28Å; I172-I176 WeakPolarHBondContact O-CG1 3.34Å; I172-I176 PolarHBondContact O-N 3.18Å; I172-I176 VanDerWaalsContact O-N 3.14Å; I172-L178 HydrophobicContact CG1-CD2 4.08Å; I172-S214 PolarHBondContact N-OG 3.49Å; I172-S214 VanDerWaalsContact N-OG 3.17Å; I172-L269 HydrophobicContact CG2-CD2 3.99Å; I172-I290 HydrophobicContact CG2-CD1 3.84Å; I172-Y320 HydrophobicContact CB-CE1 4.29Å; I172-Y320 HydrophobicContact CG2-CE1 4.33Å
173G93.4Very high94.9Very high2 Ų225.3 Ų25.32%0.02113%0.128CC..G310 helixtrans-59.1-14.7173.100000114.9S171 K175 I176 G184S171-G173 PolarHBondContact O-N 3.34Å; S171-G173 PolarHBondContact OG-N 3.07Å; G173-K175 VanDerWaalsContact C-N 3.26Å; G173-I176 CarbonylContact C-O 3.49Å; G173-I176 WeakPolarHBondContact CA-O 3.33Å; G173-G184 WeakPolarHBondContact O-CA 3.3Å
174G94.1Very high94.8Very high16 Ų1625.5 Ų25.517%0.16513%0.132CC..G310 helixtrans-73.8-15.8169.800000114.1S171 I172 A188S171-G174 PolarHBondContact O-N 3.45Å; I172-G174 PolarHBondContact O-N 2.78Å; I172-G174 VanDerWaalsContact O-N 3.09Å; G174-A188 VanDerWaalsContact CA-N 3.34Å; G174-A188 VanDerWaalsContact O-CB 3.29Å; G174-A188 WeakPolarHBondContact O-CB 3.21Å
175K92.9Very high94.8Very high68 Ų6827.7 Ų27.730%0.29615%0.146SC..THydrogen-bonded Turntrans-116.5-19.6-177.2-67.5176.1177.9173.80113.5I172 G173 E316 Y320I172-K175 PolarHBondContact O-N 3.06Å; G173-K175 VanDerWaalsContact C-N 3.26Å; K175-E316 IonicContact NZ-OE1 3.88Å; K175-E316 PolarHBondContact NZ-OE1 3.39Å; K175-Y320 HydrophobicContact CB-CD1 3.77Å; K175-Y320 HydrophobicContact CB-CE1 3.79Å; K175-Y320 HydrophobicContact CB-CG 4.22Å; K175-Y320 HydrophobicContact CD-CD1 4.15Å; K175-Y320 HydrophobicContact CD-CD2 3.85Å; K175-Y320 HydrophobicContact CD-CE1 3.67Å; K175-Y320 HydrophobicContact CD-CE2 3.29Å; K175-Y320 HydrophobicContact CD-CG 4.24Å; K175-Y320 WeakPolarHBondContact CD-OH 3.27Å; K175-Y320 HydrophobicContact CG-CE1 4.37Å; K175-Y320 PolarHBondContact NZ-OH 3.09Å
176I92.3Very high94.7Very high18 Ų1827.7 Ų27.79%0.09215%0.147CC..SBendtrans-134.7161.9179.761163.5000110.5I172 G173 L178 Y320 L323 K324I172-I176 HydrophobicContact CD1-CD1 4.03Å; I172-I176 HydrophobicContact CG1-CD1 4.26Å; I172-I176 VanDerWaalsContact O-CG1 3.28Å; I172-I176 WeakPolarHBondContact O-CG1 3.34Å; I172-I176 PolarHBondContact O-N 3.18Å; I172-I176 VanDerWaalsContact O-N 3.14Å; G173-I176 CarbonylContact C-O 3.49Å; G173-I176 WeakPolarHBondContact CA-O 3.33Å; I176-L178 PolarHBondContact O-N 3.22Å; I176-Y320 HydrophobicContact CG2-CD1 3.9Å; I176-L323 HydrophobicContact CB-CB 4.44Å; I176-L323 HydrophobicContact CD1-CB 3.8Å; I176-L323 HydrophobicContact CD1-CD1 3.82Å; I176-L323 HydrophobicContact CD1-CG 4.38Å; I176-L323 HydrophobicContact CG2-CB 3.83Å; I176-K324 HydrophobicContact CG2-CB 4.33Å
177Y91.3Very high94.6Very high139 Ų13928.5 Ų28.555%0.54515%0.151SC..  trans-64123.7169.5-177.4-93.1000109.9F179Y177-F179 PolarHBondContact OH-O 3.41Å
178L89.2Confident94.6Very high44 Ų4430.4 Ų30.423%0.2317%0.167CC..  trans-143.3127.5173.4-172.360.4000109.3I172 I176 N180 Y183I172-L178 HydrophobicContact CG1-CD2 4.08Å; I176-L178 PolarHBondContact O-N 3.22Å; L178-N180 VanDerWaalsContact C-N 3.32Å; L178-N180 PolarHBondContact O-N 2.94Å; L178-Y183 HydrophobicContact CB-CD1 4.35Å; L178-Y183 HydrophobicContact CB-CE1 4.16Å; L178-Y183 HydrophobicContact CD2-CE1 3.98Å; L178-Y183 HydrophobicContact CG-CE1 4.16Å; L178-Y183 VanDerWaalsContact O-CD1 3.24Å; L178-Y183 WeakPolarHBondContact O-CD1 3.34Å
179F90.1Very high94.6Very high64 Ų6432.1 Ų32.128%0.28118%0.18SC..SBendtrans63.6-70.1179.8-49.8-43.6000116.2I107 M111 Y177 Y183I107-F179 HydrophobicContact CG2-CB 3.65Å; I107-F179 HydrophobicContact CG2-CD1 4.36Å; I107-F179 HydrophobicContact CG2-CD2 3.8Å; I107-F179 HydrophobicContact CG2-CG 3.69Å; M111-F179 HydrophobicContact CE-CD1 3.41Å; M111-F179 VanDerWaalsContact CE-CD1 3.41Å; M111-F179 HydrophobicContact CE-CE1 3.48Å; M111-F179 VanDerWaalsContact CE-CE1 3.48Å; M111-F179 HydrophobicContact CE-CG 4.27Å; M111-F179 HydrophobicContact CE-CZ 4.38Å; M111-F179 HydrophobicContact CG-CB 4.43Å; M111-F179 HydrophobicContact CG-CD1 3.82Å; M111-F179 HydrophobicContact SD-CD1 3.57Å; M111-F179 VanDerWaalsContact SD-CD1 3.57Å; M111-F179 HydrophobicContact SD-CE1 3.82Å; Y177-F179 PolarHBondContact OH-O 3.41Å; F179-Y183 AromaticContact CD2-CD1 3.87Å; F179-Y183 HydrophobicContact CD2-CD1 3.87Å; F179-Y183 HydrophobicContact CD2-CD2 4.41Å; F179-Y183 AromaticContact CD2-CE1 3.78Å; F179-Y183 HydrophobicContact CD2-CE1 3.78Å; F179-Y183 HydrophobicContact CD2-CE2 4.31Å; F179-Y183 HydrophobicContact CD2-CG 4.17Å; F179-Y183 AromaticContact CD2-CZ 3.99Å; F179-Y183 HydrophobicContact CE2-CE1 4.18Å
180N90.7Very high94.6Very high5 Ų531.7 Ų31.73%0.02718%0.178CC..  trans-156.5169.3179.967.939.1000112.3L178 A182 Y183 G184L178-N180 VanDerWaalsContact C-N 3.32Å; L178-N180 PolarHBondContact O-N 2.94Å; N180-A182 PolarHBondContact O-N 3.41Å; N180-A182 PolarHBondContact OD1-N 2.92Å; N180-Y183 PolarHBondContact O-N 3.48Å; N180-Y183 VanDerWaalsContact OD1-CB 3.31Å; N180-Y183 WeakPolarHBondContact OD1-CB 3.43Å; N180-Y183 PolarHBondContact OD1-N 3.33Å; N180-G184 PolarHBondContact O-N 3.43Å; N180-G184 VanDerWaalsContact O-N 3.12Å
181V93.4Very high94.6Very high61 Ų6132.4 Ų32.437%0.3718%0.182SC..Hα-helixtrans-58.6-45.2-177.5177.40000112.5Y115 Y183 S185Y115-V181 HydrophobicContact CD1-CG2 3.55Å; Y115-V181 HydrophobicContact CE1-CG2 4.33Å; Y115-V181 HydrophobicContact CG-CB 4.31Å; Y115-V181 HydrophobicContact CG-CG2 3.79Å; V181-Y183 VanDerWaalsContact C-N 3.35Å; V181-Y183 PolarHBondContact O-N 3.3Å; V181-S185 VanDerWaalsContact O-CB 3.25Å; V181-S185 WeakPolarHBondContact O-CB 3.39Å; V181-S185 PolarHBondContact O-N 3.31Å; V181-S185 PolarHBondContact O-OG 2.88Å
182A94.9Very high94.8Very high15 Ų1538.5 Ų38.512%0.12420%0.203CC..Hα-helixtrans-64.5-39.3-178.500000112W127 V130 N131 N180 G186W127-A182 HydrophobicContact CE3-CB 3.98Å; W127-A182 HydrophobicContact CZ3-CB 4.39Å; V130-A182 HydrophobicContact CB-CB 3.97Å; V130-A182 HydrophobicContact CG1-CB 3.95Å; V130-A182 HydrophobicContact CG2-CB 3.97Å; N131-A182 PolarHBondContact ND2-O 3.5Å; N180-A182 PolarHBondContact O-N 3.41Å; N180-A182 PolarHBondContact OD1-N 2.92Å; A182-G186 PolarHBondContact O-N 3.22Å
183Y95.3Very high95Very high24 Ų2438.9 Ų38.99%0.09421%0.205CC..Hα-helixtrans-66.5-52.9179.8175-96.7000111.4Y101 I107 S171 L178 F179 N180 V181 S185 G186 K187Y101-Y183 WeakPolarHBondContact OH-CD2 3.37Å; I107-Y183 HydrophobicContact CD1-CD2 3.41Å; I107-Y183 VanDerWaalsContact CD1-CD2 3.41Å; I107-Y183 HydrophobicContact CD1-CE2 4.17Å; I107-Y183 HydrophobicContact CD1-CG 3.96Å; S171-Y183 WeakPolarHBondContact CB-OH 3.26Å; S171-Y183 PolarHBondContact OG-OH 3.25Å; L178-Y183 HydrophobicContact CB-CD1 4.35Å; L178-Y183 HydrophobicContact CB-CE1 4.16Å; L178-Y183 HydrophobicContact CD2-CE1 3.98Å; L178-Y183 HydrophobicContact CG-CE1 4.16Å; L178-Y183 VanDerWaalsContact O-CD1 3.24Å; L178-Y183 WeakPolarHBondContact O-CD1 3.34Å; F179-Y183 AromaticContact CD2-CD1 3.87Å; F179-Y183 HydrophobicContact CD2-CD1 3.87Å; F179-Y183 HydrophobicContact CD2-CD2 4.41Å; F179-Y183 AromaticContact CD2-CE1 3.78Å; F179-Y183 HydrophobicContact CD2-CE1 3.78Å; F179-Y183 HydrophobicContact CD2-CE2 4.31Å; F179-Y183 HydrophobicContact CD2-CG 4.17Å; F179-Y183 AromaticContact CD2-CZ 3.99Å; F179-Y183 HydrophobicContact CE2-CE1 4.18Å; N180-Y183 PolarHBondContact O-N 3.48Å; N180-Y183 VanDerWaalsContact OD1-CB 3.31Å; N180-Y183 WeakPolarHBondContact OD1-CB 3.43Å; N180-Y183 PolarHBondContact OD1-N 3.33Å; V181-Y183 VanDerWaalsContact C-N 3.35Å; V181-Y183 PolarHBondContact O-N 3.3Å; Y183-S185 VanDerWaalsContact C-N 3.34Å; Y183-S185 PolarHBondContact O-N 2.81Å; Y183-G186 PolarHBondContact O-N 3Å; Y183-K187 HydrophobicContact CD2-CG 4.47Å; Y183-K187 HydrophobicContact CE1-CG 4.19Å; Y183-K187 HydrophobicContact CE2-CG 4.12Å; Y183-K187 PolarHBondContact O-N 3.39Å
184G94.9Very high95.2Very high13 Ų1338.8 Ų38.813%0.13420%0.204CC..Hα-helixtrans-62.3-43.6-179.100000111.6G173 N180 G186 K187 A188G173-G184 WeakPolarHBondContact O-CA 3.3Å; N180-G184 PolarHBondContact O-N 3.43Å; N180-G184 VanDerWaalsContact O-N 3.12Å; G184-G186 VanDerWaalsContact C-N 3.32Å; G184-G186 PolarHBondContact O-N 3.38Å; G184-K187 PolarHBondContact O-N 3.35Å; G184-A188 WeakPolarHBondContact O-CB 3.2Å; G184-A188 PolarHBondContact O-N 3.07Å
185S96.4Very high95.5Very high50 Ų5042.4 Ų42.435%0.3522%0.217SC..Hα-helixtrans-60-43.2175-55.40000111.8V181 Y183 A188 A189V181-S185 VanDerWaalsContact O-CB 3.25Å; V181-S185 WeakPolarHBondContact O-CB 3.39Å; V181-S185 PolarHBondContact O-N 3.31Å; V181-S185 PolarHBondContact O-OG 2.88Å; Y183-S185 VanDerWaalsContact C-N 3.34Å; Y183-S185 PolarHBondContact O-N 2.81Å; S185-A188 PolarHBondContact O-N 2.97Å; S185-A189 VanDerWaalsContact O-CB 3.3Å; S185-A189 WeakPolarHBondContact O-CB 3.38Å; S185-A189 PolarHBondContact O-N 3.35Å
186G97.5Very high95.7Very high3 Ų342.1 Ų42.13%0.03122%0.219CC..Hα-helixtrans-60.6-45.4177.100000113.4N131 A182 Y183 G184 A189 L190N131-G186 WeakPolarHBondContact OD1-CA 3.49Å; A182-G186 PolarHBondContact O-N 3.22Å; Y183-G186 PolarHBondContact O-N 3Å; G184-G186 VanDerWaalsContact C-N 3.32Å; G184-G186 PolarHBondContact O-N 3.38Å; G186-A189 PolarHBondContact O-N 2.98Å; G186-L190 WeakPolarHBondContact O-CB 3.47Å; G186-L190 PolarHBondContact O-N 3.17Å
187K97.6Very high96.1Very high17 Ų1742.5 Ų42.57%0.07422%0.22CC..Hα-helixtrans-71.8-36.1178.5-65.9-58.9-172-174.10112.5I169 Y183 G184 L190 D191I169-K187 PolarHBondContact O-NZ 2.98Å; Y183-K187 HydrophobicContact CD2-CG 4.47Å; Y183-K187 HydrophobicContact CE1-CG 4.19Å; Y183-K187 HydrophobicContact CE2-CG 4.12Å; Y183-K187 PolarHBondContact O-N 3.39Å; G184-K187 PolarHBondContact O-N 3.35Å; K187-L190 HydrophobicContact CD-CD2 4.37Å; K187-L190 PolarHBondContact O-N 2.98Å; K187-D191 PolarHBondContact O-N 3.16Å
188A97.9Very high96.4Very high40 Ų4036.1 Ų36.133%0.33120%0.196SC..Hα-helixtrans-64.2-41.4172.800000111.6G174 G184 S185 L190 D191 R192G174-A188 VanDerWaalsContact CA-N 3.34Å; G174-A188 VanDerWaalsContact O-CB 3.29Å; G174-A188 WeakPolarHBondContact O-CB 3.21Å; G184-A188 WeakPolarHBondContact O-CB 3.2Å; G184-A188 PolarHBondContact O-N 3.07Å; S185-A188 PolarHBondContact O-N 2.97Å; A188-L190 VanDerWaalsContact C-N 3.34Å; A188-D191 PolarHBondContact O-N 3.47Å; A188-R192 PolarHBondContact O-N 3.17Å
189A98.5Very high96.9Very high35 Ų3540.4 Ų40.429%0.28921%0.213SC..Hα-helixtrans-64.7-38.2174.100000111.7L135 S185 G186 R192 L193L135-A189 HydrophobicContact CD1-CB 3.85Å; L135-A189 HydrophobicContact CD2-CB 3.74Å; L135-A189 HydrophobicContact CG-CB 4.46Å; S185-A189 VanDerWaalsContact O-CB 3.3Å; S185-A189 WeakPolarHBondContact O-CB 3.38Å; S185-A189 PolarHBondContact O-N 3.35Å; G186-A189 PolarHBondContact O-N 2.98Å; A189-R192 WeakPolarHBondContact O-CB 3.1Å; A189-R192 PolarHBondContact O-N 2.89Å; A189-L193 WeakPolarHBondContact O-CB 3.48Å; A189-L193 VanDerWaalsContact O-CG 3.32Å; A189-L193 WeakPolarHBondContact O-CG 3.42Å; A189-L193 PolarHBondContact O-N 2.83Å
190L98.6Very high97.3Very high1 Ų143.5 Ų43.51%0.00523%0.229CC..Hα-helixtrans-66.3-37.7175.9-171.860.6000112.4L135 H138 N168 G186 K187 A188 L193 T194L135-L190 HydrophobicContact CD1-CB 4.11Å; L135-L190 HydrophobicContact CD1-CD1 4.48Å; H138-L190 HydrophobicContact CB-CD1 3.94Å; N168-L190 HydrophobicContact CB-CD1 3.95Å; N168-L190 HydrophobicContact CB-CD2 4.21Å; N168-L190 HydrophobicContact CB-CG 3.98Å; G186-L190 WeakPolarHBondContact O-CB 3.47Å; G186-L190 PolarHBondContact O-N 3.17Å; K187-L190 HydrophobicContact CD-CD2 4.37Å; K187-L190 PolarHBondContact O-N 2.98Å; A188-L190 VanDerWaalsContact C-N 3.34Å; L190-L193 PolarHBondContact O-N 2.65Å; L190-T194 WeakPolarHBondContact O-CB 3.28Å; L190-T194 PolarHBondContact O-N 2.69Å; L190-T194 PolarHBondContact O-OG1 2.89Å
191D98.5Very high97.6Very high19 Ų1944 Ų4410%0.10223%0.231CC..Hα-helixtrans-63.7-42.9172.5-72-0.2000110.9T170 K187 A188 T194 H195 I267T170-D191 WeakPolarHBondContact CB-OD1 3.34Å; T170-D191 VanDerWaalsContact CG2-OD1 3.26Å; T170-D191 WeakPolarHBondContact CG2-OD1 3.33Å; T170-D191 PolarHBondContact OG1-OD1 3.23Å; K187-D191 PolarHBondContact O-N 3.16Å; A188-D191 PolarHBondContact O-N 3.47Å; D191-T194 WeakPolarHBondContact O-CB 3.27Å; D191-T194 PolarHBondContact O-N 3.28Å; D191-H195 PolarHBondContact O-N 2.84Å; D191-H195 VanDerWaalsContact O-N 3.07Å; D191-I267 HydrophobicContact CB-CD1 4.09Å; D191-I267 HydrophobicContact CB-CG1 4.24Å
192R98.7Very high97.8Very high140 Ų14049.4 Ų49.453%0.52825%0.25SC..Hα-helixtrans-61.6-47.7174.4173.554.559.4-170.35.2112A188 A189 T194 H195 D196A188-R192 PolarHBondContact O-N 3.17Å; A189-R192 WeakPolarHBondContact O-CB 3.1Å; A189-R192 PolarHBondContact O-N 2.89Å; R192-T194 VanDerWaalsContact C-N 3.28Å; R192-T194 PolarHBondContact O-N 2.9Å; R192-H195 PolarHBondContact NH1-ND1 3.41Å; R192-H195 PolarHBondContact O-N 3.1Å; R192-D196 WeakPolarHBondContact CD-OD1 3.42Å; R192-D196 WeakPolarHBondContact CD-OD2 3.33Å; R192-D196 IonicContact CZ-OD1 2.75Å; R192-D196 IonicContact NH1-OD1 3.81Å; R192-D196 PolarHBondContact NH1-OD1 3.35Å; R192-D196 IonicContact NH1-OD2 2.74Å; R192-D196 WeakPolarHBondContact O-CB 3.43Å; R192-D196 PolarHBondContact O-N 3.11Å
193L98.6Very high98Very high43 Ų4355.9 Ų55.923%0.22528%0.275CS..Hα-helixtrans-56.7-43.2175.4-75.7176.8000111.4L135 Y139 A189 L190 D196 M197L135-L193 HydrophobicContact CD1-CD1 3.6Å; Y139-L193 HydrophobicContact CD2-CD2 3.91Å; Y139-L193 HydrophobicContact CE2-CD2 4.43Å; A189-L193 WeakPolarHBondContact O-CB 3.48Å; A189-L193 VanDerWaalsContact O-CG 3.32Å; A189-L193 WeakPolarHBondContact O-CG 3.42Å; A189-L193 PolarHBondContact O-N 2.83Å; L190-L193 PolarHBondContact O-N 2.65Å; L193-D196 PolarHBondContact O-N 2.91Å; L193-M197 HydrophobicContact CB-CE 4.16Å; L193-M197 VanDerWaalsContact O-CB 3.27Å; L193-M197 WeakPolarHBondContact O-CB 3.33Å; L193-M197 WeakPolarHBondContact O-CE 3.22Å; L193-M197 WeakPolarHBondContact O-CG 3.21Å; L193-M197 PolarHBondContact O-N 2.9Å
194T98.8Very high98Very high0 Ų060.8 Ų60.80%030%0.299CS..Hα-helixtrans-58.8-49.3177.4-59.80000111.5N168 L190 D191 R192 A198 V210 V211 I267N168-T194 PolarHBondContact ND2-OG1 3.1Å; L190-T194 WeakPolarHBondContact O-CB 3.28Å; L190-T194 PolarHBondContact O-N 2.69Å; L190-T194 PolarHBondContact O-OG1 2.89Å; D191-T194 WeakPolarHBondContact O-CB 3.27Å; D191-T194 PolarHBondContact O-N 3.28Å; R192-T194 VanDerWaalsContact C-N 3.28Å; R192-T194 PolarHBondContact O-N 2.9Å; T194-A198 WeakPolarHBondContact O-CB 3.44Å; T194-A198 PolarHBondContact O-N 3.45Å; T194-V210 HydrophobicContact CG2-CG1 4.18Å; T194-V211 VanDerWaalsContact CG2-C 3.48Å; T194-I267 HydrophobicContact CG2-CD1 3.86Å
195H98.8Very high98Very high92 Ų9267.4 Ų67.443%0.42633%0.331SS..Hα-helixtrans-63-49.1179.5175.7-83.8000112D191 R192 A198 F199D191-H195 PolarHBondContact O-N 2.84Å; D191-H195 VanDerWaalsContact O-N 3.07Å; R192-H195 PolarHBondContact NH1-ND1 3.41Å; R192-H195 PolarHBondContact O-N 3.1Å; H195-A198 PolarHBondContact O-N 3.44Å; H195-F199 PolarHBondContact O-N 2.88Å
196D98.8Very high98Very high62 Ų6266.4 Ų66.433%0.33232%0.323SS..Hα-helixtrans-72.8-39.5-171.8-66.81.2000111.6R192 L193 A198 F199 E200R192-D196 WeakPolarHBondContact CD-OD1 3.42Å; R192-D196 WeakPolarHBondContact CD-OD2 3.33Å; R192-D196 IonicContact CZ-OD1 2.75Å; R192-D196 IonicContact NH1-OD1 3.81Å; R192-D196 PolarHBondContact NH1-OD1 3.35Å; R192-D196 IonicContact NH1-OD2 2.74Å; R192-D196 WeakPolarHBondContact O-CB 3.43Å; R192-D196 PolarHBondContact O-N 3.11Å; L193-D196 PolarHBondContact O-N 2.91Å; D196-A198 VanDerWaalsContact C-N 3.32Å; D196-A198 PolarHBondContact O-N 2.81Å; D196-F199 WeakPolarHBondContact O-CB 3.14Å; D196-F199 PolarHBondContact O-N 3.19Å; D196-E200 PolarHBondContact O-N 2.65Å
197M98.8Very high97.9Very high25 Ų2568.2 Ų68.212%0.12333%0.332CS..Hα-helixtrans-59.5-44171.9-71.9-172.2-68.200111.3S142 L193 F199 E200 L201 V210S142-M197 VanDerWaalsContact CB-SD 3.55Å; L193-M197 HydrophobicContact CB-CE 4.16Å; L193-M197 VanDerWaalsContact O-CB 3.27Å; L193-M197 WeakPolarHBondContact O-CB 3.33Å; L193-M197 WeakPolarHBondContact O-CE 3.22Å; L193-M197 WeakPolarHBondContact O-CG 3.21Å; L193-M197 PolarHBondContact O-N 2.9Å; M197-F199 VanDerWaalsContact C-N 3.32Å; M197-F199 PolarHBondContact O-N 3.12Å; M197-E200 PolarHBondContact O-N 3.06Å; M197-L201 WeakPolarHBondContact O-CB 3.41Å; M197-L201 WeakPolarHBondContact O-CD1 3.41Å; M197-L201 WeakPolarHBondContact O-CG 3.44Å; M197-L201 PolarHBondContact O-N 2.98Å; M197-V210 HydrophobicContact CB-CG1 4.42Å; M197-V210 HydrophobicContact CB-CG2 4.41Å; M197-V210 HydrophobicContact CE-CG1 3.93Å
198A98.8Very high97.9Very high5 Ų567.5 Ų67.54%0.04133%0.329CS..Hα-helixtrans-62.5-39.517700000112.6T194 H195 D196 K202 V210 S264T194-A198 WeakPolarHBondContact O-CB 3.44Å; T194-A198 PolarHBondContact O-N 3.45Å; H195-A198 PolarHBondContact O-N 3.44Å; D196-A198 VanDerWaalsContact C-N 3.32Å; D196-A198 PolarHBondContact O-N 2.81Å; A198-K202 VanDerWaalsContact O-CB 3.31Å; A198-K202 WeakPolarHBondContact O-CB 3.37Å; A198-K202 PolarHBondContact O-N 3.49Å; A198-V210 HydrophobicContact CB-CB 4.31Å; A198-S264 VanDerWaalsContact CB-OG 3.24Å; A198-S264 WeakPolarHBondContact CB-OG 3.5Å
199F98.7Very high97.9Very high134 Ų13465.6 Ų65.659%0.58831%0.313SS*.Hα-helixtrans-62-48.2176.8178.6-91.6000111.6H195 D196 M197 K202 K203H195-F199 PolarHBondContact O-N 2.88Å; D196-F199 WeakPolarHBondContact O-CB 3.14Å; D196-F199 PolarHBondContact O-N 3.19Å; M197-F199 VanDerWaalsContact C-N 3.32Å; M197-F199 PolarHBondContact O-N 3.12Å; F199-K202 PolarHBondContact O-N 3.34Å; F199-K203 WeakPolarHBondContact O-CB 3.39Å; F199-K203 PolarHBondContact O-N 3.36Å
200E98.6Very high98Very high130 Ų13063.9 Ų63.961%0.60730%0.299SS*.Hα-helixtrans-63.1-46.5177.9-70.8-175.6179.700111.7D196 M197 K202 K203 E204D196-E200 PolarHBondContact O-N 2.65Å; M197-E200 PolarHBondContact O-N 3.06Å; E200-K202 VanDerWaalsContact C-N 3.31Å; E200-K202 PolarHBondContact O-N 3.34Å; E200-K203 WeakPolarHBondContact O-CB 3.38Å; E200-K203 PolarHBondContact O-N 3.43Å; E200-K203 VanDerWaalsContact O-N 3.15Å; E200-E204 WeakPolarHBondContact O-CG 3.37Å; E200-E204 PolarHBondContact O-N 3.19Å
201L98.4Very high98Very high15 Ų1563.9 Ų63.98%0.07930%0.299CS..Hα-helixtrans-60.3-40.7178.1-69.9167.8000112.2T146 M197 E204 N205 V206 I208 V210T146-L201 HydrophobicContact CG2-CD2 3.74Å; M197-L201 WeakPolarHBondContact O-CB 3.41Å; M197-L201 WeakPolarHBondContact O-CD1 3.41Å; M197-L201 WeakPolarHBondContact O-CG 3.44Å; M197-L201 PolarHBondContact O-N 2.98Å; L201-E204 PolarHBondContact O-N 2.88Å; L201-N205 PolarHBondContact O-N 3.23Å; L201-N205 VanDerWaalsContact O-N 3.13Å; L201-V206 HydrophobicContact CB-CB 4.3Å; L201-V206 HydrophobicContact CD2-CB 3.72Å; L201-V206 HydrophobicContact CD2-CG1 3.63Å; L201-V206 HydrophobicContact CD2-CG2 4.16Å; L201-V206 PolarHBondContact O-N 3.19Å; L201-I208 HydrophobicContact CD1-CB 4.1Å; L201-I208 HydrophobicContact CD1-CG2 3.96Å; L201-I208 HydrophobicContact CD2-CD1 4.44Å; L201-V210 HydrophobicContact CD1-CG2 3.38Å
202K97.8Very high98Very high175 Ų17563 Ų6376%0.76129%0.294SS*.Hα-helixtrans-65.5-42.2175.6-176.8177.9180179.30111.8A198 F199 E200 E204 N205A198-K202 VanDerWaalsContact O-CB 3.31Å; A198-K202 WeakPolarHBondContact O-CB 3.37Å; A198-K202 PolarHBondContact O-N 3.49Å; F199-K202 PolarHBondContact O-N 3.34Å; E200-K202 VanDerWaalsContact C-N 3.31Å; E200-K202 PolarHBondContact O-N 3.34Å; K202-E204 VanDerWaalsContact C-N 3.31Å; K202-E204 PolarHBondContact O-N 3.4Å; K202-N205 PolarHBondContact O-N 2.96Å
203K97.8Very high98Very high151 Ų15156.3 Ų56.366%0.65727%0.269SS*.Hα-helixtrans-61.2-41.5178-179.7-170.7168.9-161.70111.4F199 E200 N205F199-K203 WeakPolarHBondContact O-CB 3.39Å; F199-K203 PolarHBondContact O-N 3.36Å; E200-K203 WeakPolarHBondContact O-CB 3.38Å; E200-K203 PolarHBondContact O-N 3.43Å; E200-K203 VanDerWaalsContact O-N 3.15Å; K203-N205 PolarHBondContact O-N 3.01Å
204E96.5Very high97.9Very high127 Ų12754.3 Ų54.359%0.59326%0.259SS*.THydrogen-bonded Turntrans-84.55.9178.9-59.2-57.2139.300113.2E200 L201 K202 V206E200-E204 WeakPolarHBondContact O-CG 3.37Å; E200-E204 PolarHBondContact O-N 3.19Å; L201-E204 PolarHBondContact O-N 2.88Å; K202-E204 VanDerWaalsContact C-N 3.31Å; K202-E204 PolarHBondContact O-N 3.4Å; E204-V206 HydrophobicContact CB-CG2 3.95Å; E204-V206 PolarHBondContact O-N 3.4Å
205N94.3Very high97.7Very high152 Ų15255 Ų5581%0.81326%0.263SS*.THydrogen-bonded Turntrans52.738.2-178.5-163.840000113.7L201 K202 K203L201-N205 PolarHBondContact O-N 3.23Å; L201-N205 VanDerWaalsContact O-N 3.13Å; K202-N205 PolarHBondContact O-N 2.96Å; K203-N205 PolarHBondContact O-N 3.01Å
206V95.4Very high97.2Very high29 Ų2951.8 Ų51.818%0.17626%0.255CS..  trans-84131.7177.6177.50000109.6I150 L201 E204 I208I150-V206 HydrophobicContact CD1-CG1 4.03Å; I150-V206 HydrophobicContact CD1-CG2 4.17Å; I150-V206 HydrophobicContact CG1-CG1 3.62Å; I150-V206 HydrophobicContact CG1-CG2 4.39Å; L201-V206 HydrophobicContact CB-CB 4.3Å; L201-V206 HydrophobicContact CD2-CB 3.72Å; L201-V206 HydrophobicContact CD2-CG1 3.63Å; L201-V206 HydrophobicContact CD2-CG2 4.16Å; L201-V206 PolarHBondContact O-N 3.19Å; E204-V206 HydrophobicContact CB-CG2 3.95Å; E204-V206 PolarHBondContact O-N 3.4Å; V206-I208 HydrophobicContact CG1-CB 4.16Å; V206-I208 HydrophobicContact CG1-CD1 3.58Å; V206-I208 HydrophobicContact CG1-CG1 3.75Å; V206-I208 PolarHBondContact O-N 2.89Å
207N96.1Very high96.6Very high40 Ų4052 Ų5221%0.21426%0.255CS..SBendtrans-80.356.7-176.2-172.734000111.9Q153 A161 P163 G164Q153-N207 PolarHBondContact NE2-O 3.42Å; A161-N207 PolarHBondContact O-ND2 2.92Å; P163-N207 CarbonylContact C-O 3.6Å; P163-N207 WeakPolarHBondContact CA-O 3.49Å; P163-N207 WeakPolarHBondContact CB-OD1 3.44Å; P163-N207 WeakPolarHBondContact CG-OD1 3.2Å; G164-N207 PolarHBondContact N-O 2.94Å
208I97.9Very high96.1Very high2 Ų251.2 Ų51.21%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-131.6131.8179.7-62.2170.1000108.7T146 M149 I150 G164 I166 L201 V206 V210T146-I208 HydrophobicContact CG2-CD1 4.08Å; M149-I208 HydrophobicContact CB-CD1 3.49Å; M149-I208 VanDerWaalsContact CB-CD1 3.49Å; M149-I208 HydrophobicContact CB-CG1 4.1Å; M149-I208 HydrophobicContact CG-CD1 4.35Å; M149-I208 HydrophobicContact SD-CD1 4.01Å; M149-I208 HydrophobicContact SD-CG1 4.17Å; M149-I208 HydrophobicContact SD-CG2 4.19Å; I150-I208 HydrophobicContact CG1-CD1 4.17Å; G164-I208 CarbonylContact O-C 3.6Å; G164-I208 WeakPolarHBondContact O-CA 3.19Å; I166-I208 HydrophobicContact CD1-CG2 4.17Å; I166-I208 HydrophobicContact CG1-CG2 4.27Å; L201-I208 HydrophobicContact CD1-CB 4.1Å; L201-I208 HydrophobicContact CD1-CG2 3.96Å; L201-I208 HydrophobicContact CD2-CD1 4.44Å; V206-I208 HydrophobicContact CG1-CB 4.16Å; V206-I208 HydrophobicContact CG1-CD1 3.58Å; V206-I208 HydrophobicContact CG1-CG1 3.75Å; V206-I208 PolarHBondContact O-N 2.89Å; I208-V210 HydrophobicContact CG2-CG2 4.27Å
209S98.5Very high95.5Very high0 Ų053.7 Ų53.70%026%0.26CS..EExtended strand (participates in β ladder)trans-100.7133.6171.4-166.60000110.3G164 L165 I166 L260 S264G164-S209 PolarHBondContact O-N 3.34Å; L165-S209 WeakPolarHBondContact CA-O 3.44Å; I166-S209 PolarHBondContact N-O 3.05Å; S209-L260 WeakPolarHBondContact CB-O 3.4Å; S209-L260 PolarHBondContact OG-O 2.91Å; S209-S264 WeakPolarHBondContact OG-CB 3.3Å
210V98.9Very high94.9Very high0 Ų048.2 Ų48.20%024%0.238CC..EExtended strand (participates in β ladder)trans-120.8122.4177.4-172.10000108.2I166 T194 M197 A198 L201 I208 S264 G265I166-V210 HydrophobicContact CB-CG1 4.25Å; I166-V210 HydrophobicContact CB-CG2 4.23Å; I166-V210 HydrophobicContact CD1-CG2 4.4Å; I166-V210 HydrophobicContact CG2-CG1 4.29Å; I166-V210 CarbonylContact O-C 3.58Å; I166-V210 WeakPolarHBondContact O-CA 3.45Å; T194-V210 HydrophobicContact CG2-CG1 4.18Å; M197-V210 HydrophobicContact CB-CG1 4.42Å; M197-V210 HydrophobicContact CB-CG2 4.41Å; M197-V210 HydrophobicContact CE-CG1 3.93Å; A198-V210 HydrophobicContact CB-CB 4.31Å; L201-V210 HydrophobicContact CD1-CG2 3.38Å; I208-V210 HydrophobicContact CG2-CG2 4.27Å; V210-S264 PolarHBondContact N-OG 3Å; V210-S264 CarbonylContact O-C 3.46Å; V210-S264 WeakPolarHBondContact O-CA 3.05Å; V210-G265 PolarHBondContact O-N 3.39Å
211V98.8Very high94.4Very high0 Ų044.3 Ų44.30%022%0.22CC..EExtended strand (participates in β ladder)trans-135.7149.4-173.8-61.30000111.5L165 I166 V167 N168 T194 M252 R263 F268L165-V211 HydrophobicContact CD1-CG2 3.89Å; I166-V211 PolarHBondContact O-N 3.21Å; V167-V211 WeakPolarHBondContact CA-O 3.14Å; V167-V211 HydrophobicContact CB-CG2 4.43Å; V167-V211 HydrophobicContact CG1-CG2 4.36Å; V167-V211 HydrophobicContact CG2-CG2 4Å; N168-V211 PolarHBondContact N-O 3.26Å; T194-V211 VanDerWaalsContact CG2-C 3.48Å; V211-M252 HydrophobicContact CB-CE 4.05Å; V211-M252 HydrophobicContact CG1-CE 3.87Å; V211-M252 HydrophobicContact CG2-CE 3.73Å; V211-M252 HydrophobicContact CG2-SD 4.21Å; V211-R263 HydrophobicContact CG1-CB 4.08Å; V211-R263 WeakPolarHBondContact CG1-O 3.3Å; V211-F268 HydrophobicContact CB-CE2 4.48Å; V211-F268 HydrophobicContact CG1-CE2 4.28Å
212G98.7Very high93.7Very high0 Ų045.2 Ų45.20%022%0.223CC..EExtended strand (participates in β ladder)trans-97.6133.6168.800000109.5N168 H266 I267 F268N168-G212 WeakPolarHBondContact O-CA 3.39Å; G212-H266 PolarHBondContact N-O 2.93Å; G212-I267 CarbonylContact O-C 3.47Å; G212-I267 WeakPolarHBondContact O-CA 3.09Å; G212-F268 PolarHBondContact O-N 3.4Å
213V98.3Very high93Very high0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-119.5121.5172174.60000107.6V167 N168 I169 T170 P215 V245 V248 M252 F268 V270 L273V167-V213 HydrophobicContact CG1-CB 3.99Å; V167-V213 HydrophobicContact CG1-CG2 3.64Å; N168-V213 PolarHBondContact O-N 3.18Å; I169-V213 WeakPolarHBondContact CA-O 3.43Å; I169-V213 HydrophobicContact CD1-CB 4.23Å; T170-V213 PolarHBondContact N-O 3.02Å; V213-P215 WeakPolarHBondContact O-CD 3.49Å; V213-V245 HydrophobicContact CG1-CG1 4.18Å; V213-V248 HydrophobicContact CG1-CG2 4.44Å; V213-M252 HydrophobicContact CG2-SD 4.2Å; V213-F268 CarbonylContact C-O 3.55Å; V213-F268 WeakPolarHBondContact CA-O 3.47Å; V213-V270 HydrophobicContact CG1-CG2 3.37Å; V213-L273 HydrophobicContact CG2-CD1 4.26Å
214S96.7Very high92.3Very high2 Ų234.5 Ų34.51%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-108.4104.2-179.3176.90000109.6S171 I172 F268 L269 V270S171-S214 WeakPolarHBondContact CA-OG 3.19Å; I172-S214 PolarHBondContact N-OG 3.49Å; I172-S214 VanDerWaalsContact N-OG 3.17Å; S214-F268 PolarHBondContact N-O 2.86Å; S214-L269 WeakPolarHBondContact O-CA 3.41Å; S214-V270 PolarHBondContact O-N 3.44Å
215P95Very high91.7Very high14 Ų1430.8 Ų30.89%0.09117%0.165CC..  trans-65.7157.7170.6-18.733.1000112.2I18 I169 V213 V218 V245 V270I18-P215 HydrophobicContact CD1-CB 4.47Å; I18-P215 HydrophobicContact CD1-CG 4.15Å; I169-P215 HydrophobicContact CG2-CG 4.02Å; V213-P215 WeakPolarHBondContact O-CD 3.49Å; P215-V218 HydrophobicContact CB-CG2 3.51Å; P215-V245 HydrophobicContact CB-CG2 3.97Å; P215-V245 HydrophobicContact CG-CG1 4.13Å; P215-V245 HydrophobicContact CG-CG2 3.88Å; P215-V270 HydrophobicContact CB-CG2 4.1Å; P215-V270 HydrophobicContact CG-CG2 4.09Å
216G89Confident91.1Very high24 Ų2423.7 Ų23.725%0.24713%0.127CC..  trans-79.2-147.7164.300000111.7V218 E240G216-V218 PolarHBondContact O-N 3.44Å; G216-V218 VanDerWaalsContact O-N 3.11Å; G216-E240 WeakPolarHBondContact CA-OE1 3.37Å; G216-E240 PolarHBondContact N-OE1 3.06Å; G216-E240 VanDerWaalsContact N-OE1 3.12Å; G216-E240 PolarHBondContact N-OE2 3.02Å
217L86.4Confident90.3Very high67 Ų6723.6 Ų23.635%0.35113%0.13SC..SBendtrans-76.496.8174.8178.660.6000109.7V234 S239 E240L217-V234 HydrophobicContact CD1-CG1 4.07Å; L217-V234 HydrophobicContact CD2-CG1 3.36Å; L217-V234 HydrophobicContact CG-CG1 3.92Å; L217-S239 CarbonylContact O-C 3.44Å; L217-S239 VanDerWaalsContact O-CA 3.22Å; L217-S239 WeakPolarHBondContact O-CA 3.42Å; L217-S239 WeakPolarHBondContact O-CB 3.44Å; L217-E240 PolarHBondContact O-N 3.46Å
218V87.1Confident89.7Confident8 Ų826.3 Ų26.35%0.04815%0.152CC..BIsolated β-bridgetrans-86129.7-179.4-174.20000110.9I18 P215 G216 T220 E240 P242 V245I18-V218 HydrophobicContact CD1-CB 4.27Å; I18-V218 HydrophobicContact CD1-CG2 3.99Å; I18-V218 HydrophobicContact CG1-CB 4.01Å; I18-V218 HydrophobicContact CG1-CG1 3.85Å; I18-V218 HydrophobicContact CG1-CG2 3.93Å; P215-V218 HydrophobicContact CB-CG2 3.51Å; G216-V218 PolarHBondContact O-N 3.44Å; G216-V218 VanDerWaalsContact O-N 3.11Å; V218-T220 HydrophobicContact CB-CG2 4.13Å; V218-T220 HydrophobicContact CG1-CG2 3.84Å; V218-T220 PolarHBondContact O-N 2.97Å; V218-E240 WeakPolarHBondContact CA-O 3.41Å; V218-E240 WeakPolarHBondContact CG1-O 3.38Å; V218-E240 HydrophobicContact CG2-CB 4.15Å; V218-P242 HydrophobicContact CG1-CB 4.24Å; V218-P242 HydrophobicContact CG1-CG 3.94Å; V218-V245 HydrophobicContact CG2-CG2 4.33Å
219R87.1Confident89Confident58 Ų5833 Ų3322%0.21918%0.181CC..  trans-74.363.5174.854.3172.5-178.5-155.8-7.3112.6L224 E240 D282R219-L224 HydrophobicContact CB-CD2 4.11Å; R219-L224 HydrophobicContact CB-CG 4.3Å; R219-E240 WeakPolarHBondContact CG-O 3.19Å; R219-E240 PolarHBondContact N-O 2.82Å; R219-D282 IonicContact CZ-OD1 3.99Å; R219-D282 IonicContact CZ-OD2 2.89Å; R219-D282 IonicContact NH2-OD1 3.7Å; R219-D282 PolarHBondContact NH2-OD1 3.19Å; R219-D282 IonicContact NH2-OD2 3.99Å; R219-D282 PolarHBondContact NH2-OD2 3.49Å
220T86.3Confident88Confident18 Ų1836.1 Ų36.111%0.1121%0.213CC..  trans-69.7160.4172.765.80000110.9I18 V218 H222 I223 L224I18-T220 HydrophobicContact CG1-CG2 4.1Å; V218-T220 HydrophobicContact CB-CG2 4.13Å; V218-T220 HydrophobicContact CG1-CG2 3.84Å; V218-T220 PolarHBondContact O-N 2.97Å; T220-H222 PolarHBondContact O-N 2.92Å; T220-I223 PolarHBondContact O-N 3.4Å; T220-I223 WeakPolarHBondContact OG1-CG1 2.95Å; T220-I223 PolarHBondContact OG1-N 2.98Å; T220-L224 WeakPolarHBondContact O-CG 3.47Å; T220-L224 PolarHBondContact O-N 2.93Å
221E87.8Confident86.6Confident49 Ų4940.4 Ų40.423%0.22924%0.243CC..Hα-helixtrans-53.7-37.7175.9-60.888.1153.900111.2G17 V47 D225G17-E221 WeakPolarHBondContact CA-OE2 3.44Å; G17-E221 PolarHBondContact N-OE1 2.64Å; G17-E221 PolarHBondContact N-OE2 3.48Å; V47-E221 HydrophobicContact CG1-CB 3.55Å; E221-D225 WeakPolarHBondContact O-CB 3.35Å; E221-D225 PolarHBondContact O-N 3.16Å
222H84.3Confident85.2Confident33 Ų3343 Ų4315%0.15326%0.256CS..Hα-helixtrans-65.7-38.4174.8-79.3-75.2000113.6V104 T220 A226V104-H222 HydrophobicContact CG1-CB 3.89Å; T220-H222 PolarHBondContact O-N 2.92Å; H222-A226 VanDerWaalsContact O-CB 3.31Å; H222-A226 WeakPolarHBondContact O-CB 3.26Å; H222-A226 PolarHBondContact O-N 3.15Å
223I82.4Confident83.9Confident32 Ų3250.1 Ų50.116%0.16430%0.3CS..Hα-helixtrans-73.2-41179-67.2-66.1000110.2T220 A226 A227 L232 V234T220-I223 PolarHBondContact O-N 3.4Å; T220-I223 WeakPolarHBondContact OG1-CG1 2.95Å; T220-I223 PolarHBondContact OG1-N 2.98Å; I223-A226 PolarHBondContact O-N 3.19Å; I223-A227 WeakPolarHBondContact O-CB 3.48Å; I223-A227 PolarHBondContact O-N 3.24Å; I223-L232 HydrophobicContact CD1-CD2 3.71Å; I223-L232 HydrophobicContact CG2-CD2 4.31Å; I223-V234 HydrophobicContact CG2-CB 4.47Å; I223-V234 HydrophobicContact CG2-CG1 3.92Å; I223-V234 HydrophobicContact CG2-CG2 3.83Å
224L83.6Confident82.5Confident70 Ų7051.4 Ų51.437%0.36631%0.308SS..Hα-helixtrans-66.4-41.6176.8-66.1174.7000111.8R219 T220 A227 S228 I236R219-L224 HydrophobicContact CB-CD2 4.11Å; R219-L224 HydrophobicContact CB-CG 4.3Å; T220-L224 WeakPolarHBondContact O-CG 3.47Å; T220-L224 PolarHBondContact O-N 2.93Å; L224-A227 PolarHBondContact O-N 2.88Å; L224-S228 WeakPolarHBondContact O-CB 3.49Å; L224-S228 PolarHBondContact O-N 3.47Å; L224-S228 PolarHBondContact O-OG 3.47Å; L224-I236 HydrophobicContact CD2-CD1 4.08Å
225D84.1Confident81.4Confident48 Ų4855.2 Ų55.226%0.25733%0.328SS..Hα-helixtrans-65.2-40.6174.9-179.974000112.2E221 S228 K229E221-D225 WeakPolarHBondContact O-CB 3.35Å; E221-D225 PolarHBondContact O-N 3.16Å; D225-S228 PolarHBondContact O-OG 3.5Å; D225-K229 WeakPolarHBondContact O-CB 3.28Å; D225-K229 WeakPolarHBondContact O-CG 3.45Å; D225-K229 PolarHBondContact O-N 2.89Å; D225-K229 VanDerWaalsContact O-N 3.15Å; D225-K229 WeakPolarHBondContact OD1-CE 3.29Å; D225-K229 IonicContact OD1-NZ 2.72Å; D225-K229 PolarHBondContact OD1-NZ 3.24Å; D225-K229 IonicContact OD2-NZ 2.88Å; D225-K229 PolarHBondContact OD2-NZ 3.42Å
226A80Confident80.3Confident3 Ų358.2 Ų58.23%0.02534%0.342CS..Hα-helixtrans-65.2-41.5174.400000112H222 I223 K229 G230 S231 L232H222-A226 VanDerWaalsContact O-CB 3.31Å; H222-A226 WeakPolarHBondContact O-CB 3.26Å; H222-A226 PolarHBondContact O-N 3.15Å; I223-A226 PolarHBondContact O-N 3.19Å; A226-K229 PolarHBondContact O-N 2.7Å; A226-G230 PolarHBondContact O-N 2.96Å; A226-S231 WeakPolarHBondContact CA-OG 3.21Å; A226-S231 WeakPolarHBondContact CB-OG 3.32Å; A226-S231 PolarHBondContact O-N 3.4Å; A226-S231 PolarHBondContact O-OG 2.85Å; A226-L232 HydrophobicContact CB-CB 3.99Å; A226-L232 PolarHBondContact O-N 3.36Å
227A80Confident79.6Confident28 Ų2864.3 Ų64.323%0.23137%0.365CS..Hα-helixtrans-65.1-43.5177.500000112.2I223 L224 K229 G230 L232 V234I223-A227 WeakPolarHBondContact O-CB 3.48Å; I223-A227 PolarHBondContact O-N 3.24Å; L224-A227 PolarHBondContact O-N 2.88Å; A227-K229 VanDerWaalsContact C-N 3.27Å; A227-K229 PolarHBondContact O-N 3.29Å; A227-G230 PolarHBondContact O-N 3.29Å; A227-L232 WeakPolarHBondContact CA-O 3.11Å; A227-V234 HydrophobicContact CB-CG2 3.89Å
228S82.1Confident79.2Confident96 Ų9663.4 Ų63.467%0.67136%0.36SS*.Hα-helixtrans-66-30.5178.969.10000112.7L224 D225 G230L224-S228 WeakPolarHBondContact O-CB 3.49Å; L224-S228 PolarHBondContact O-N 3.47Å; L224-S228 PolarHBondContact O-OG 3.47Å; D225-S228 PolarHBondContact O-OG 3.5Å; S228-G230 VanDerWaalsContact C-N 3.28Å
229K83.1Confident79.1Confident144 Ų14463 Ų6363%0.62636%0.358SS*.THydrogen-bonded Turntrans-82.6-0.8173.8-69.3171.5-177.9163.30113.9D225 A226 A227 S231D225-K229 WeakPolarHBondContact O-CB 3.28Å; D225-K229 WeakPolarHBondContact O-CG 3.45Å; D225-K229 PolarHBondContact O-N 2.89Å; D225-K229 VanDerWaalsContact O-N 3.15Å; D225-K229 WeakPolarHBondContact OD1-CE 3.29Å; D225-K229 IonicContact OD1-NZ 2.72Å; D225-K229 PolarHBondContact OD1-NZ 3.24Å; D225-K229 IonicContact OD2-NZ 2.88Å; D225-K229 PolarHBondContact OD2-NZ 3.42Å; A226-K229 PolarHBondContact O-N 2.7Å; A227-K229 VanDerWaalsContact C-N 3.27Å; A227-K229 PolarHBondContact O-N 3.29Å; K229-S231 PolarHBondContact O-N 3.23Å
230G78.1Confident79.3Confident65 Ų6560.6 Ų60.667%0.6735%0.349SS*.THydrogen-bonded Turntrans71.710.7-179.300000114.9A226 A227 S228 L232A226-G230 PolarHBondContact O-N 2.96Å; A227-G230 PolarHBondContact O-N 3.29Å; S228-G230 VanDerWaalsContact C-N 3.28Å; G230-L232 VanDerWaalsContact C-N 3.34Å
231S70.6Confident79.5Confident89 Ų8959.8 Ų59.862%0.62234%0.344SS*.SBendtrans-84.2-9.8179.763.90000113.4A226 K229A226-S231 WeakPolarHBondContact CA-OG 3.21Å; A226-S231 WeakPolarHBondContact CB-OG 3.32Å; A226-S231 PolarHBondContact O-N 3.4Å; A226-S231 PolarHBondContact O-OG 2.85Å; K229-S231 PolarHBondContact O-N 3.23Å
232L69.6Low79.7Confident54 Ų5458.8 Ų58.828%0.28334%0.342SS..  trans-145.7127.7176.5-172.567.8000111.2I223 A226 A227 G230 V234I223-L232 HydrophobicContact CD1-CD2 3.71Å; I223-L232 HydrophobicContact CG2-CD2 4.31Å; A226-L232 HydrophobicContact CB-CB 3.99Å; A226-L232 PolarHBondContact O-N 3.36Å; A227-L232 WeakPolarHBondContact CA-O 3.11Å; G230-L232 VanDerWaalsContact C-N 3.34Å; L232-V234 HydrophobicContact CB-CG2 4.17Å; L232-V234 HydrophobicContact CD2-CG2 3.54Å; L232-V234 HydrophobicContact CG-CG2 3.6Å
233T70.6Confident80.2Confident151 Ų15160 Ų6093%0.92635%0.348SS*.  trans-86.8113.9170.8-43.80000109.4
234V68.3Low80.9Confident26 Ų2658.5 Ų58.516%0.15834%0.34CS..  trans-123.6128.2-175.3-159.30000109.1L217 I223 A227 L232 I236L217-V234 HydrophobicContact CD1-CG1 4.07Å; L217-V234 HydrophobicContact CD2-CG1 3.36Å; L217-V234 HydrophobicContact CG-CG1 3.92Å; I223-V234 HydrophobicContact CG2-CB 4.47Å; I223-V234 HydrophobicContact CG2-CG1 3.92Å; I223-V234 HydrophobicContact CG2-CG2 3.83Å; A227-V234 HydrophobicContact CB-CG2 3.89Å; L232-V234 HydrophobicContact CB-CG2 4.17Å; L232-V234 HydrophobicContact CD2-CG2 3.54Å; L232-V234 HydrophobicContact CG-CG2 3.6Å; V234-I236 VanDerWaalsContact C-N 3.35Å; V234-I236 HydrophobicContact CB-CG1 4.4Å; V234-I236 PolarHBondContact O-N 2.9Å
235N74.8Confident81.5Confident83 Ų8355.1 Ų55.144%0.44432%0.322SS..  trans-79.190.4166.8-172.6-33.1000108.6E237 N238 S239N235-E237 PolarHBondContact O-N 2.94Å; N235-E237 WeakPolarHBondContact OD1-CB 3.42Å; N235-E237 PolarHBondContact OD1-N 3.14Å; N235-N238 PolarHBondContact ND2-ND2 3.37Å; N235-N238 PolarHBondContact O-N 2.99Å; N235-N238 PolarHBondContact OD1-N 3.28Å; N235-N238 VanDerWaalsContact OD1-N 3.17Å; N235-N238 PolarHBondContact OD1-ND2 2.96Å; N235-S239 PolarHBondContact O-N 3.25Å
236I72.2Confident82.1Confident76 Ų7652.9 Ų52.939%0.3931%0.31SS..G310 helixtrans-62.2-33.1-178-61.1175.8000111L224 V234 N238 S239L224-I236 HydrophobicContact CD2-CD1 4.08Å; V234-I236 VanDerWaalsContact C-N 3.35Å; V234-I236 HydrophobicContact CB-CG1 4.4Å; V234-I236 PolarHBondContact O-N 2.9Å; I236-N238 PolarHBondContact O-N 2.59Å; I236-S239 WeakPolarHBondContact O-CB 3.46Å; I236-S239 PolarHBondContact O-N 2.94Å; I236-S239 VanDerWaalsContact O-N 3.12Å; I236-S239 PolarHBondContact O-OG 3.09Å
237E73.5Confident82.9Confident153 Ų15354.6 Ų54.672%0.71532%0.316SS*.G310 helixtrans-62.6-32.6179.6-62.5-176.2163.700112.6N235 R285N235-E237 PolarHBondContact O-N 2.94Å; N235-E237 WeakPolarHBondContact OD1-CB 3.42Å; N235-E237 PolarHBondContact OD1-N 3.14Å; E237-R285 PolarHBondContact O-NE 3.38Å; E237-R285 PolarHBondContact O-NH1 2.96Å; E237-R285 PolarHBondContact O-NH2 3.22Å
238N78.2Confident83.8Confident47 Ų4753.2 Ų53.225%0.25131%0.305SS..G310 helixtrans-98.89.2178.7-68.4-44.9000113.4N235 I236 Y295N235-N238 PolarHBondContact ND2-ND2 3.37Å; N235-N238 PolarHBondContact O-N 2.99Å; N235-N238 PolarHBondContact OD1-N 3.28Å; N235-N238 VanDerWaalsContact OD1-N 3.17Å; N235-N238 PolarHBondContact OD1-ND2 2.96Å; I236-N238 PolarHBondContact O-N 2.59Å; N238-Y295 HydrophobicContact CB-CE2 4.4Å
239S84.8Confident84.5Confident0 Ų048.7 Ų48.70%027%0.273CS..PPolyproline II helixtrans-83.6156.3178.970.70000112.4L217 N235 I236 R285L217-S239 CarbonylContact O-C 3.44Å; L217-S239 VanDerWaalsContact O-CA 3.22Å; L217-S239 WeakPolarHBondContact O-CA 3.42Å; L217-S239 WeakPolarHBondContact O-CB 3.44Å; N235-S239 PolarHBondContact O-N 3.25Å; I236-S239 WeakPolarHBondContact O-CB 3.46Å; I236-S239 PolarHBondContact O-N 2.94Å; I236-S239 VanDerWaalsContact O-N 3.12Å; I236-S239 PolarHBondContact O-OG 3.09Å; S239-R285 PolarHBondContact O-NH2 3.41Å
240E90.2Very high85.2Confident7 Ų741.9 Ų41.93%0.03324%0.244CC..BIsolated β-bridgetrans-87.1138.9176.6-67.7177.8-178.100111.3G216 L217 V218 R219 L244 E281G216-E240 WeakPolarHBondContact CA-OE1 3.37Å; G216-E240 PolarHBondContact N-OE1 3.06Å; G216-E240 VanDerWaalsContact N-OE1 3.12Å; G216-E240 PolarHBondContact N-OE2 3.02Å; L217-E240 PolarHBondContact O-N 3.46Å; V218-E240 WeakPolarHBondContact CA-O 3.41Å; V218-E240 WeakPolarHBondContact CG1-O 3.38Å; V218-E240 HydrophobicContact CG2-CB 4.15Å; R219-E240 WeakPolarHBondContact CG-O 3.19Å; R219-E240 PolarHBondContact N-O 2.82Å; E240-L244 HydrophobicContact CB-CD2 4.12Å; E240-L244 HydrophobicContact CG-CD2 3.87Å; E240-E281 VanDerWaalsContact CA-OE1 3.22Å; E240-E281 WeakPolarHBondContact CA-OE1 3.31Å
241S92.2Very high86.2Confident2 Ų239.2 Ų39.21%0.01422%0.216CC..PPolyproline II helixtrans-68.2146.3168.762.60000111.3E243 L244 E281S241-E243 PolarHBondContact O-N 2.87Å; S241-L244 VanDerWaalsContact O-CB 3.31Å; S241-L244 WeakPolarHBondContact O-CB 3.37Å; S241-L244 PolarHBondContact O-N 3.09Å; S241-L244 PolarHBondContact OG-N 3.26Å; S241-E281 WeakPolarHBondContact CB-OE2 3.44Å; S241-E281 PolarHBondContact N-OE1 3.01Å; S241-E281 PolarHBondContact N-OE2 2.82Å; S241-E281 VanDerWaalsContact N-OE2 3.14Å; S241-E281 PolarHBondContact OG-OE2 3.3Å
242P92.1Very high87.5Confident28 Ų2835 Ų3518%0.18219%0.187CC..Hα-helixtrans-56.5-36.3173.5-26.734.4000113.4G17 V218 L244G17-P242 WeakPolarHBondContact O-CB 3.33Å; V218-P242 HydrophobicContact CG1-CB 4.24Å; V218-P242 HydrophobicContact CG1-CG 3.94Å; P242-L244 VanDerWaalsContact C-N 3.27Å; P242-L244 PolarHBondContact O-N 2.85Å
243E94.8Very high88.8Confident58 Ų5833.3 Ų33.327%0.27118%0.18SC..Hα-helixtrans-68.8-21.1177.3-69.2-168.5-162.200113V24 S25 K28 S241 V245 G246 R247V24-E243 HydrophobicContact CG1-CG 4.35Å; V24-E243 WeakPolarHBondContact CG1-OE1 3.32Å; S25-E243 PolarHBondContact OG-O 3.14Å; S25-E243 VanDerWaalsContact OG-O 3.09Å; K28-E243 VanDerWaalsContact NZ-CD 3.26Å; K28-E243 IonicContact NZ-OE1 3.7Å; K28-E243 PolarHBondContact NZ-OE1 3.2Å; K28-E243 IonicContact NZ-OE2 2.6Å; K28-E243 PolarHBondContact NZ-OE2 3.34Å; S241-E243 PolarHBondContact O-N 2.87Å; E243-V245 VanDerWaalsContact C-N 3.31Å; E243-V245 PolarHBondContact O-N 3.45Å; E243-G246 PolarHBondContact O-N 2.93Å; E243-R247 VanDerWaalsContact O-CG 3.32Å; E243-R247 WeakPolarHBondContact O-CG 3.44Å; E243-R247 PolarHBondContact O-N 3.21Å; E243-R247 PolarHBondContact O-NE 3.36Å
244L95.7Very high90Very high0 Ų028.1 Ų28.10%015%0.153CC..Hα-helixtrans-58.6-45.2176.8-17966.3000111.6E240 S241 P242 G246 R247 V248 V270 A274 I279 E281 V287E240-L244 HydrophobicContact CB-CD2 4.12Å; E240-L244 HydrophobicContact CG-CD2 3.87Å; S241-L244 VanDerWaalsContact O-CB 3.31Å; S241-L244 WeakPolarHBondContact O-CB 3.37Å; S241-L244 PolarHBondContact O-N 3.09Å; S241-L244 PolarHBondContact OG-N 3.26Å; P242-L244 VanDerWaalsContact C-N 3.27Å; P242-L244 PolarHBondContact O-N 2.85Å; L244-G246 VanDerWaalsContact C-N 3.27Å; L244-G246 PolarHBondContact O-N 3.41Å; L244-R247 PolarHBondContact O-N 3.37Å; L244-V248 PolarHBondContact O-N 2.75Å; L244-V248 VanDerWaalsContact O-N 3.08Å; L244-V270 HydrophobicContact CD2-CG1 3.62Å; L244-V270 HydrophobicContact CG-CG1 3.68Å; L244-A274 HydrophobicContact CD1-CB 3.99Å; L244-I279 HydrophobicContact CD1-CG2 3.65Å; L244-E281 WeakPolarHBondContact CD2-OE1 3.32Å; L244-V287 HydrophobicContact CD1-CG2 3.73Å; L244-V287 HydrophobicContact CD2-CB 4.35Å; L244-V287 HydrophobicContact CD2-CG1 3.61Å; L244-V287 HydrophobicContact CD2-CG2 3.74Å; L244-V287 HydrophobicContact CG-CG2 4.41Å
245V96.7Very high91.3Very high0 Ų027.5 Ų27.50%015%0.148CC..Hα-helixtrans-60.3-41.1178.7-168.60000110.7I18 I22 I169 V213 P215 V218 E243 V248 I249 V270I18-V245 HydrophobicContact CG2-CB 4.2Å; I18-V245 HydrophobicContact CG2-CG1 4.08Å; I18-V245 HydrophobicContact CG2-CG2 4.16Å; I22-V245 HydrophobicContact CD1-CB 4.29Å; I22-V245 HydrophobicContact CD1-CG1 3.74Å; I22-V245 HydrophobicContact CG1-CB 4.03Å; I22-V245 HydrophobicContact CG1-CG1 3.97Å; I169-V245 HydrophobicContact CD1-CG1 4.09Å; V213-V245 HydrophobicContact CG1-CG1 4.18Å; P215-V245 HydrophobicContact CB-CG2 3.97Å; P215-V245 HydrophobicContact CG-CG1 4.13Å; P215-V245 HydrophobicContact CG-CG2 3.88Å; V218-V245 HydrophobicContact CG2-CG2 4.33Å; E243-V245 VanDerWaalsContact C-N 3.31Å; E243-V245 PolarHBondContact O-N 3.45Å; V245-V248 WeakPolarHBondContact O-CG2 3.46Å; V245-I249 HydrophobicContact CG1-CD1 4.34Å; V245-I249 WeakPolarHBondContact O-CG1 3.19Å; V245-I249 PolarHBondContact O-N 2.99Å; V245-V270 HydrophobicContact CB-CG2 4.47Å; V245-V270 HydrophobicContact CG1-CG2 4.1Å; V245-V270 HydrophobicContact CG2-CG2 4.18Å
246G97.2Very high92.3Very high0 Ų026.7 Ų26.70%015%0.149CC..Hα-helixtrans-64.1-43.617600000113.4E243 L244 V248 I249 V250E243-G246 PolarHBondContact O-N 2.93Å; L244-G246 VanDerWaalsContact C-N 3.27Å; L244-G246 PolarHBondContact O-N 3.41Å; G246-V248 VanDerWaalsContact C-N 3.35Å; G246-V248 PolarHBondContact O-N 3.43Å; G246-I249 PolarHBondContact O-N 3.38Å; G246-V250 WeakPolarHBondContact O-CG2 3.29Å; G246-V250 PolarHBondContact O-N 2.82Å
247R96.9Very high93.4Very high39 Ų3925.3 Ų25.315%0.14715%0.145CC..Hα-helixtrans-65.2-35.9-179.5-70.7179.9-66.91575.7112.6M1 E243 L244 V250 G251 I279 H280 E281M1-R247 HydrophobicContact CG-CG 4.41Å; M1-R247 HydrophobicContact SD-CG 3.98Å; E243-R247 VanDerWaalsContact O-CG 3.32Å; E243-R247 WeakPolarHBondContact O-CG 3.44Å; E243-R247 PolarHBondContact O-N 3.21Å; E243-R247 PolarHBondContact O-NE 3.36Å; L244-R247 PolarHBondContact O-N 3.37Å; R247-V250 PolarHBondContact O-N 3.19Å; R247-G251 PolarHBondContact O-N 3.03Å; R247-I279 HydrophobicContact CB-CD1 4.13Å; R247-I279 HydrophobicContact CB-CG2 4.02Å; R247-I279 WeakPolarHBondContact O-CD1 3.4Å; R247-H280 PolarHBondContact NH1-O 2.75Å; R247-H280 PolarHBondContact NH2-O 3.46Å; R247-E281 IonicContact NH2-OE2 3.03Å
248V97.5Very high94.5Very high0 Ų026.7 Ų26.70%015%0.149CC..Hα-helixtrans-69.6-35.2173.7-60.40000112.1V213 L244 V245 G246 G251 M252 V270 L273 A274 Y277 I279V213-V248 HydrophobicContact CG1-CG2 4.44Å; L244-V248 PolarHBondContact O-N 2.75Å; L244-V248 VanDerWaalsContact O-N 3.08Å; V245-V248 WeakPolarHBondContact O-CG2 3.46Å; G246-V248 VanDerWaalsContact C-N 3.35Å; G246-V248 PolarHBondContact O-N 3.43Å; V248-G251 WeakPolarHBondContact O-CA 3.43Å; V248-G251 PolarHBondContact O-N 2.81Å; V248-M252 WeakPolarHBondContact O-CG 3.17Å; V248-M252 PolarHBondContact O-N 3.15Å; V248-V270 HydrophobicContact CG1-CG1 4.25Å; V248-V270 HydrophobicContact CG2-CG1 4.13Å; V248-V270 HydrophobicContact CG2-CG2 4.26Å; V248-L273 HydrophobicContact CB-CB 3.86Å; V248-L273 HydrophobicContact CB-CD1 4.31Å; V248-L273 HydrophobicContact CG1-CB 3.93Å; V248-L273 HydrophobicContact CG2-CD1 4.33Å; V248-A274 HydrophobicContact CG1-CB 3.86Å; V248-Y277 WeakPolarHBondContact O-CE2 3.09Å; V248-I279 HydrophobicContact CG1-CD1 4.08Å
249I98.4Very high95.4Very high0 Ų028.1 Ų28.10%015%0.153CC..Hα-helixtrans-65.9-42.7174.2-67.5168.3000110.8I22 L26 I95 V97 V167 I169 V245 G246 G251 M252 A253I22-I249 HydrophobicContact CD1-CD1 3.8Å; I22-I249 HydrophobicContact CG1-CD1 4.03Å; I22-I249 HydrophobicContact CG2-CD1 3.92Å; L26-I249 HydrophobicContact CD2-CG2 4.37Å; I95-I249 HydrophobicContact CG2-CG2 4.5Å; V97-I249 HydrophobicContact CG1-CD1 4.16Å; V97-I249 HydrophobicContact CG2-CD1 4.23Å; V97-I249 HydrophobicContact CG2-CG2 4.4Å; V167-I249 HydrophobicContact CG1-CD1 3.94Å; V167-I249 HydrophobicContact CG1-CG1 4.16Å; V167-I249 HydrophobicContact CG2-CG1 4.43Å; V167-I249 HydrophobicContact CG2-CG2 4.17Å; I169-I249 HydrophobicContact CD1-CD1 4.17Å; V245-I249 HydrophobicContact CG1-CD1 4.34Å; V245-I249 WeakPolarHBondContact O-CG1 3.19Å; V245-I249 PolarHBondContact O-N 2.99Å; G246-I249 PolarHBondContact O-N 3.38Å; I249-G251 VanDerWaalsContact C-N 3.26Å; I249-G251 PolarHBondContact O-N 3.05Å; I249-M252 PolarHBondContact O-N 2.85Å; I249-A253 PolarHBondContact O-N 3.21Å
250V98Very high96Very high2 Ų228.2 Ų28.21%0.01215%0.153CC..Hα-helixtrans-58.1-41.1171.31680000110.9K2 I4 L26 S29 G246 R247 A253 A254K2-V250 HydrophobicContact CB-CG1 3.95Å; I4-V250 HydrophobicContact CD1-CG2 4.23Å; L26-V250 HydrophobicContact CD2-CG2 3.89Å; L26-V250 HydrophobicContact CG-CG2 4.45Å; S29-V250 WeakPolarHBondContact OG-CG1 3.23Å; G246-V250 WeakPolarHBondContact O-CG2 3.29Å; G246-V250 PolarHBondContact O-N 2.82Å; R247-V250 PolarHBondContact O-N 3.19Å; V250-A253 PolarHBondContact O-N 3.14Å; V250-A254 WeakPolarHBondContact O-CB 3.12Å; V250-A254 PolarHBondContact O-N 3.03Å; V250-A254 VanDerWaalsContact O-N 3.13Å
251G97.6Very high96.3Very high9 Ų931 Ų319%0.09317%0.168CC..Hα-helixtrans-58.2-4617400000112.9R247 V248 I249 A254 E255R247-G251 PolarHBondContact O-N 3.03Å; V248-G251 WeakPolarHBondContact O-CA 3.43Å; V248-G251 PolarHBondContact O-N 2.81Å; I249-G251 VanDerWaalsContact C-N 3.26Å; I249-G251 PolarHBondContact O-N 3.05Å; G251-A254 PolarHBondContact O-N 3.15Å; G251-E255 WeakPolarHBondContact O-CG 3.33Å
252M97.7Very high96.6Very high0 Ų034.7 Ų34.70%019%0.194CC..Hα-helixtrans-63.2-45175.8-67-17888.700112.3L165 V211 V213 V248 I249 A254 E255 L260 R263 F268 L273 Y277L165-M252 HydrophobicContact CD2-CB 4.24Å; V211-M252 HydrophobicContact CB-CE 4.05Å; V211-M252 HydrophobicContact CG1-CE 3.87Å; V211-M252 HydrophobicContact CG2-CE 3.73Å; V211-M252 HydrophobicContact CG2-SD 4.21Å; V213-M252 HydrophobicContact CG2-SD 4.2Å; V248-M252 WeakPolarHBondContact O-CG 3.17Å; V248-M252 PolarHBondContact O-N 3.15Å; I249-M252 PolarHBondContact O-N 2.85Å; M252-A254 PolarHBondContact O-N 2.69Å; M252-E255 WeakPolarHBondContact O-CB 3.49Å; M252-E255 WeakPolarHBondContact O-CG 3.45Å; M252-E255 PolarHBondContact O-N 3.33Å; M252-E255 VanDerWaalsContact O-N 3.08Å; M252-L260 HydrophobicContact CB-CD1 4.32Å; M252-R263 HydrophobicContact CE-CB 4.43Å; M252-R263 VanDerWaalsContact CE-CD 3.48Å; M252-F268 HydrophobicContact CE-CD2 4.21Å; M252-F268 HydrophobicContact CE-CE2 4.22Å; M252-L273 HydrophobicContact CG-CD1 4.42Å; M252-L273 HydrophobicContact SD-CD1 3.76Å; M252-Y277 HydrophobicContact CG-CE2 4.06Å; M252-Y277 VanDerWaalsContact CG-OH 3.22Å; M252-Y277 WeakPolarHBondContact CG-OH 3.32Å
253A97.2Very high96.9Very high18 Ų1834.2 Ų34.215%0.14919%0.188CC..Hα-helixtrans-63-26.1179.700000113.3I4 I95 L165 I249 V250I4-A253 HydrophobicContact CG2-CB 4.24Å; I95-A253 HydrophobicContact CD1-CB 3.53Å; L165-A253 HydrophobicContact CD2-CB 4.32Å; I249-A253 PolarHBondContact O-N 3.21Å; V250-A253 PolarHBondContact O-N 3.14Å
254A95.9Very high97Very high43 Ų4332.7 Ų32.736%0.35518%0.184SC..THydrogen-bonded Turntrans-89.42.9177.400000113.8K2 V250 G251 M252K2-A254 HydrophobicContact CB-CB 3.65Å; K2-A254 HydrophobicContact CD-CB 4.16Å; K2-A254 HydrophobicContact CG-CB 3.72Å; V250-A254 WeakPolarHBondContact O-CB 3.12Å; V250-A254 PolarHBondContact O-N 3.03Å; V250-A254 VanDerWaalsContact O-N 3.13Å; G251-A254 PolarHBondContact O-N 3.15Å; M252-A254 PolarHBondContact O-N 2.69Å
255E96.1Very high97.2Very high13 Ų1333.2 Ų33.26%0.06119%0.19CC..SBendtrans-70.6161.3176.7-66.4-167.613600112.3Q162 G251 M252 K259 L260 R263 Y277Q162-E255 PolarHBondContact NE2-O 2.75Å; G251-E255 WeakPolarHBondContact O-CG 3.33Å; M252-E255 WeakPolarHBondContact O-CB 3.49Å; M252-E255 WeakPolarHBondContact O-CG 3.45Å; M252-E255 PolarHBondContact O-N 3.33Å; M252-E255 VanDerWaalsContact O-N 3.08Å; E255-K259 HydrophobicContact CB-CB 4.33Å; E255-K259 HydrophobicContact CB-CD 4.48Å; E255-K259 HydrophobicContact CG-CD 4.26Å; E255-K259 VanDerWaalsContact OE1-CD 3.23Å; E255-K259 WeakPolarHBondContact OE1-CD 3.42Å; E255-K259 WeakPolarHBondContact OE1-CE 3.42Å; E255-K259 IonicContact OE1-NZ 3.81Å; E255-K259 PolarHBondContact OE1-NZ 3.43Å; E255-L260 HydrophobicContact CB-CB 4.39Å; E255-R263 IonicContact OE1-CZ 2.83Å; E255-R263 IonicContact OE1-NE 3.86Å; E255-R263 PolarHBondContact OE1-NE 3.45Å; E255-R263 IonicContact OE1-NH2 2.72Å; E255-R263 PolarHBondContact OE1-NH2 2.8Å; E255-R263 WeakPolarHBondContact OE2-CD 3.33Å; E255-R263 IonicContact OE2-CZ 3.18Å; E255-R263 IonicContact OE2-NE 2.68Å; E255-R263 PolarHBondContact OE2-NE 3.38Å; E255-R263 IonicContact OE2-NH2 3.47Å; E255-Y277 VanDerWaalsContact CD-OH 3.3Å; E255-Y277 HydrophobicContact CG-CE1 4.43Å; E255-Y277 WeakPolarHBondContact OE1-CE1 3.31Å; E255-Y277 PolarHBondContact OE1-OH 3.13Å
256S95.5Very high97.3Very high66 Ų6638.3 Ų38.346%0.46221%0.213SC..  trans-61.5147.8168.1690000110.4K258 K259 L260S256-K258 VanDerWaalsContact C-N 3.26Å; S256-K258 PolarHBondContact O-N 3.18Å; S256-K258 VanDerWaalsContact O-N 3.15Å; S256-K259 PolarHBondContact O-N 3.16Å; S256-K259 WeakPolarHBondContact OG-CB 3.31Å; S256-K259 PolarHBondContact OG-N 2.91Å; S256-L260 PolarHBondContact O-N 2.95Å
257P95.7Very high97.3Very high47 Ų4740 Ų4031%0.30522%0.222SC..Hα-helixtrans-49.6-44.7178.2-30.534.7000113.8P163 K259 L260 L261P163-P257 HydrophobicContact CG-CB 4Å; P257-K259 PolarHBondContact O-N 3.32Å; P257-L260 PolarHBondContact O-N 3.42Å; P257-L261 WeakPolarHBondContact O-CB 3.49Å; P257-L261 WeakPolarHBondContact O-CG 3.3Å; P257-L261 PolarHBondContact O-N 3.38Å
258K95.9Very high97.3Very high182 Ų18240 Ų4079%0.79122%0.223SC*.Hα-helixtrans-60.3-44179.2-176.1179179.4-179.50112.3S256 S262S256-K258 VanDerWaalsContact C-N 3.26Å; S256-K258 PolarHBondContact O-N 3.18Å; S256-K258 VanDerWaalsContact O-N 3.15Å; K258-S262 WeakPolarHBondContact O-CB 3.33Å; K258-S262 PolarHBondContact O-N 2.9Å
259K97.3Very high97.2Very high77 Ų7740.4 Ų40.434%0.33523%0.225SC..Hα-helixtrans-68.4-46.2180-168.6177.8-176.9-152.30110.4E255 S256 P257 L261 S262 R263 E276E255-K259 HydrophobicContact CB-CB 4.33Å; E255-K259 HydrophobicContact CB-CD 4.48Å; E255-K259 HydrophobicContact CG-CD 4.26Å; E255-K259 VanDerWaalsContact OE1-CD 3.23Å; E255-K259 WeakPolarHBondContact OE1-CD 3.42Å; E255-K259 WeakPolarHBondContact OE1-CE 3.42Å; E255-K259 IonicContact OE1-NZ 3.81Å; E255-K259 PolarHBondContact OE1-NZ 3.43Å; S256-K259 PolarHBondContact O-N 3.16Å; S256-K259 WeakPolarHBondContact OG-CB 3.31Å; S256-K259 PolarHBondContact OG-N 2.91Å; P257-K259 PolarHBondContact O-N 3.32Å; K259-L261 PolarHBondContact O-N 3.36Å; K259-S262 WeakPolarHBondContact O-CB 3.18Å; K259-S262 PolarHBondContact O-N 3.45Å; K259-S262 VanDerWaalsContact O-N 3.09Å; K259-S262 PolarHBondContact O-OG 3.37Å; K259-R263 PolarHBondContact O-N 3.26Å; K259-E276 WeakPolarHBondContact CE-OE1 3.4Å; K259-E276 IonicContact NZ-OE1 2.83Å; K259-E276 PolarHBondContact NZ-OE1 3.42Å
260L97.5Very high97.1Very high2 Ų240.4 Ų40.41%0.0123%0.225CC..Hα-helixtrans-60.7-43.9179.2-173.157.1000112.3P163 L165 S209 M252 E255 S256 P257 S262 R263P163-L260 HydrophobicContact CB-CD2 4.23Å; P163-L260 HydrophobicContact CG-CD2 4.26Å; L165-L260 HydrophobicContact CD1-CD1 3.98Å; L165-L260 HydrophobicContact CD2-CD1 4.41Å; S209-L260 WeakPolarHBondContact CB-O 3.4Å; S209-L260 PolarHBondContact OG-O 2.91Å; M252-L260 HydrophobicContact CB-CD1 4.32Å; E255-L260 HydrophobicContact CB-CB 4.39Å; S256-L260 PolarHBondContact O-N 2.95Å; P257-L260 PolarHBondContact O-N 3.42Å; L260-S262 VanDerWaalsContact C-N 3.33Å; L260-S262 PolarHBondContact O-N 2.92Å; L260-R263 PolarHBondContact O-N 2.95Å
261L97.4Very high96.9Very high66 Ų6640.5 Ų40.535%0.34623%0.226SC..Hα-helixtrans-65.6-34.1175-70.6170.9000112.6P163 P257 K259 R263 S264P163-L261 HydrophobicContact CB-CD2 3.93Å; P163-L261 HydrophobicContact CB-CG 4.19Å; P163-L261 HydrophobicContact CG-CD1 4.2Å; P163-L261 HydrophobicContact CG-CD2 4.08Å; P163-L261 HydrophobicContact CG-CG 3.77Å; P257-L261 WeakPolarHBondContact O-CB 3.49Å; P257-L261 WeakPolarHBondContact O-CG 3.3Å; P257-L261 PolarHBondContact O-N 3.38Å; K259-L261 PolarHBondContact O-N 3.36Å; L261-R263 PolarHBondContact O-N 3.19Å; L261-S264 VanDerWaalsContact O-CB 3.27Å; L261-S264 WeakPolarHBondContact O-CB 3.45Å; L261-S264 PolarHBondContact O-N 2.99Å; L261-S264 VanDerWaalsContact O-N 3.15Å
262S97.6Very high96.7Very high79 Ų7941.6 Ų41.655%0.55223%0.23SC*.Hα-helixtrans-67-19.7176.475.90000113.7K258 K259 L260K258-S262 WeakPolarHBondContact O-CB 3.33Å; K258-S262 PolarHBondContact O-N 2.9Å; K259-S262 WeakPolarHBondContact O-CB 3.18Å; K259-S262 PolarHBondContact O-N 3.45Å; K259-S262 VanDerWaalsContact O-N 3.09Å; K259-S262 PolarHBondContact O-OG 3.37Å; L260-S262 VanDerWaalsContact C-N 3.33Å; L260-S262 PolarHBondContact O-N 2.92Å
263R97.8Very high96.7Very high18 Ų1841.7 Ų41.77%0.06823%0.23CC..THydrogen-bonded Turntrans-83.4-14174.6-65.6-168.6-173.9-90.23.9113.7V211 M252 E255 K259 L260 L261 G265 H266 F268 E276 Y277V211-R263 HydrophobicContact CG1-CB 4.08Å; V211-R263 WeakPolarHBondContact CG1-O 3.3Å; M252-R263 HydrophobicContact CE-CB 4.43Å; M252-R263 VanDerWaalsContact CE-CD 3.48Å; E255-R263 IonicContact OE1-CZ 2.83Å; E255-R263 IonicContact OE1-NE 3.86Å; E255-R263 PolarHBondContact OE1-NE 3.45Å; E255-R263 IonicContact OE1-NH2 2.72Å; E255-R263 PolarHBondContact OE1-NH2 2.8Å; E255-R263 WeakPolarHBondContact OE2-CD 3.33Å; E255-R263 IonicContact OE2-CZ 3.18Å; E255-R263 IonicContact OE2-NE 2.68Å; E255-R263 PolarHBondContact OE2-NE 3.38Å; E255-R263 IonicContact OE2-NH2 3.47Å; K259-R263 PolarHBondContact O-N 3.26Å; L260-R263 PolarHBondContact O-N 2.95Å; L261-R263 PolarHBondContact O-N 3.19Å; R263-G265 PolarHBondContact O-N 2.68Å; R263-H266 WeakPolarHBondContact O-CB 3.24Å; R263-H266 PolarHBondContact O-CD2 2.87Å; R263-H266 PolarHBondContact O-N 2.89Å; R263-H266 VanDerWaalsContact O-N 3.14Å; R263-F268 HydrophobicContact CB-CE2 3.87Å; R263-F268 HydrophobicContact CB-CZ 3.78Å; R263-F268 HydrophobicContact CG-CE2 4.27Å; R263-F268 HydrophobicContact CG-CZ 3.8Å; R263-E276 IonicContact CZ-OE1 2.69Å; R263-E276 IonicContact CZ-OE2 2.67Å; R263-E276 IonicContact NH1-OE2 3.9Å; R263-E276 PolarHBondContact NH1-OE2 3.12Å; R263-E276 IonicContact NH2-OE1 2.89Å; R263-E276 PolarHBondContact NH2-OE1 2.85Å; R263-E276 IonicContact NH2-OE2 3.87Å; R263-E276 PolarHBondContact NH2-OE2 2.96Å; R263-Y277 PolarHBondContact NH2-OH 3.41Å
264S98.5Very high96.6Very high25 Ų2540.8 Ų40.818%0.17522%0.223CC..THydrogen-bonded Turntrans-59.1131.6-174.5-160.90000110.9A198 S209 V210 L261A198-S264 VanDerWaalsContact CB-OG 3.24Å; A198-S264 WeakPolarHBondContact CB-OG 3.5Å; S209-S264 WeakPolarHBondContact OG-CB 3.3Å; V210-S264 PolarHBondContact N-OG 3Å; V210-S264 CarbonylContact O-C 3.46Å; V210-S264 WeakPolarHBondContact O-CA 3.05Å; L261-S264 VanDerWaalsContact O-CB 3.27Å; L261-S264 WeakPolarHBondContact O-CB 3.45Å; L261-S264 PolarHBondContact O-N 2.99Å; L261-S264 VanDerWaalsContact O-N 3.15Å
265G98.6Very high96.4Very high12 Ų1243.8 Ų43.812%0.12423%0.229CC..THydrogen-bonded Turntrans89.3-2.6-178.600000114.9V210 R263V210-G265 PolarHBondContact O-N 3.39Å; R263-G265 PolarHBondContact O-N 2.68Å
266H98.4Very high96.4Very high107 Ų10747.6 Ų47.650%0.49525%0.247SC..  trans-98.1154.1179.8-65.3-74.5000113.1G212 R263 F268G212-H266 PolarHBondContact N-O 2.93Å; R263-H266 WeakPolarHBondContact O-CB 3.24Å; R263-H266 PolarHBondContact O-CD2 2.87Å; R263-H266 PolarHBondContact O-N 2.89Å; R263-H266 VanDerWaalsContact O-N 3.14Å; H266-F268 HydrophobicContact CB-CD2 4.37Å; H266-F268 HydrophobicContact CB-CE1 4.36Å; H266-F268 HydrophobicContact CB-CE2 3.53Å; H266-F268 HydrophobicContact CB-CZ 3.52Å
267I97.7Very high96.4Very high34 Ų3447 Ų4717%0.17424%0.235CC..EExtended strand (participates in β ladder)trans-109.9123.3175.5-47.7-58.6000108.4T170 D191 T194 G212T170-I267 HydrophobicContact CG2-CG2 3.53Å; D191-I267 HydrophobicContact CB-CD1 4.09Å; D191-I267 HydrophobicContact CB-CG1 4.24Å; T194-I267 HydrophobicContact CG2-CD1 3.86Å; G212-I267 CarbonylContact O-C 3.47Å; G212-I267 WeakPolarHBondContact O-CA 3.09Å
268F97.1Very high96.3Very high41 Ų4147.2 Ų47.218%0.1825%0.246CC..EExtended strand (participates in β ladder)trans-114.6140.2-176.5-60.7-84.9000111.3V211 G212 V213 S214 M252 R263 H266 L273V211-F268 HydrophobicContact CB-CE2 4.48Å; V211-F268 HydrophobicContact CG1-CE2 4.28Å; G212-F268 PolarHBondContact O-N 3.4Å; V213-F268 CarbonylContact C-O 3.55Å; V213-F268 WeakPolarHBondContact CA-O 3.47Å; S214-F268 PolarHBondContact N-O 2.86Å; M252-F268 HydrophobicContact CE-CD2 4.21Å; M252-F268 HydrophobicContact CE-CE2 4.22Å; R263-F268 HydrophobicContact CB-CE2 3.87Å; R263-F268 HydrophobicContact CB-CZ 3.78Å; R263-F268 HydrophobicContact CG-CE2 4.27Å; R263-F268 HydrophobicContact CG-CZ 3.8Å; H266-F268 HydrophobicContact CB-CD2 4.37Å; H266-F268 HydrophobicContact CB-CE1 4.36Å; H266-F268 HydrophobicContact CB-CE2 3.53Å; H266-F268 HydrophobicContact CB-CZ 3.52Å; F268-L273 HydrophobicContact CB-CD1 3.66Å; F268-L273 HydrophobicContact CB-CD2 4.19Å; F268-L273 HydrophobicContact CB-CG 3.81Å; F268-L273 HydrophobicContact CD1-CD2 4.06Å; F268-L273 HydrophobicContact CG-CD1 4.26Å; F268-L273 HydrophobicContact CG-CD2 4.1Å; F268-L273 HydrophobicContact CG-CG 4.28Å
269L95.2Very high96.2Very high8 Ų840 Ų404%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-74.2138.4164.7-66175.7000109.3I172 S214 S271 D272 L273 I290 R291I172-L269 HydrophobicContact CG2-CD2 3.99Å; S214-L269 WeakPolarHBondContact O-CA 3.41Å; L269-S271 PolarHBondContact O-N 2.84Å; L269-D272 HydrophobicContact CB-CB 4.31Å; L269-D272 PolarHBondContact O-N 3.22Å; L269-D272 VanDerWaalsContact O-N 3.09Å; L269-L273 PolarHBondContact O-N 3.4Å; L269-I290 HydrophobicContact CD1-CD1 4.07Å; L269-I290 HydrophobicContact CD1-CG1 4.05Å; L269-I290 HydrophobicContact CD2-CD1 3.88Å; L269-R291 HydrophobicContact CD1-CG 4.1Å
270V96.5Very high96Very high0 Ų040.8 Ų40.80%022%0.22CC..Hα-helixtrans-55.7-40.8174.9168.90000110.9V213 S214 P215 L244 V245 V248 D272 L273 A274V213-V270 HydrophobicContact CG1-CG2 3.37Å; S214-V270 PolarHBondContact O-N 3.44Å; P215-V270 HydrophobicContact CB-CG2 4.1Å; P215-V270 HydrophobicContact CG-CG2 4.09Å; L244-V270 HydrophobicContact CD2-CG1 3.62Å; L244-V270 HydrophobicContact CG-CG1 3.68Å; V245-V270 HydrophobicContact CB-CG2 4.47Å; V245-V270 HydrophobicContact CG1-CG2 4.1Å; V245-V270 HydrophobicContact CG2-CG2 4.18Å; V248-V270 HydrophobicContact CG1-CG1 4.25Å; V248-V270 HydrophobicContact CG2-CG1 4.13Å; V248-V270 HydrophobicContact CG2-CG2 4.26Å; V270-D272 VanDerWaalsContact C-N 3.33Å; V270-D272 PolarHBondContact O-N 3.04Å; V270-L273 PolarHBondContact O-N 3.25Å; V270-A274 VanDerWaalsContact O-CB 3.28Å; V270-A274 WeakPolarHBondContact O-CB 3.42Å; V270-A274 PolarHBondContact O-N 3.01Å
271S93.7Very high95.6Very high3 Ų341 Ų412%0.02122%0.221CC..Hα-helixtrans-63.7-32.217849.10000114.5L269 E275 N289L269-S271 PolarHBondContact O-N 2.84Å; S271-E275 PolarHBondContact O-N 3.47Å; S271-N289 PolarHBondContact OG-ND2 2.82Å
272D94.4Very high94.9Very high33 Ų3342.5 Ų42.518%0.17623%0.229CC..Hα-helixtrans-73.6-42.9176.3-72.2-32.3000111L269 V270 E276 N289 R291 R313L269-D272 HydrophobicContact CB-CB 4.31Å; L269-D272 PolarHBondContact O-N 3.22Å; L269-D272 VanDerWaalsContact O-N 3.09Å; V270-D272 VanDerWaalsContact C-N 3.33Å; V270-D272 PolarHBondContact O-N 3.04Å; D272-E276 WeakPolarHBondContact O-CB 3.1Å; D272-E276 PolarHBondContact O-N 2.88Å; D272-N289 PolarHBondContact OD1-ND2 3.29Å; D272-R291 IonicContact OD1-CZ 2.7Å; D272-R291 IonicContact OD1-NH2 2.87Å; D272-R291 PolarHBondContact OD1-NH2 2.98Å; D272-R291 IonicContact OD2-CZ 3.07Å; D272-R291 IonicContact OD2-NE 3.72Å; D272-R291 IonicContact OD2-NH2 2.83Å; D272-R291 PolarHBondContact OD2-NH2 2.72Å; D272-R313 IonicContact OD1-NH1 3.5Å; D272-R313 PolarHBondContact OD1-NH1 3.03Å; D272-R313 VanDerWaalsContact OD1-NH1 3.14Å
273L96.1Very high93.9Very high1 Ų143 Ų431%0.00523%0.232CC..Hα-helixtrans-66.2-38.2175.1-68173.9000112.2V213 V248 M252 F268 L269 V270 E276 Y277V213-L273 HydrophobicContact CG2-CD1 4.26Å; V248-L273 HydrophobicContact CB-CB 3.86Å; V248-L273 HydrophobicContact CB-CD1 4.31Å; V248-L273 HydrophobicContact CG1-CB 3.93Å; V248-L273 HydrophobicContact CG2-CD1 4.33Å; M252-L273 HydrophobicContact CG-CD1 4.42Å; M252-L273 HydrophobicContact SD-CD1 3.76Å; F268-L273 HydrophobicContact CB-CD1 3.66Å; F268-L273 HydrophobicContact CB-CD2 4.19Å; F268-L273 HydrophobicContact CB-CG 3.81Å; F268-L273 HydrophobicContact CD1-CD2 4.06Å; F268-L273 HydrophobicContact CG-CD1 4.26Å; F268-L273 HydrophobicContact CG-CD2 4.1Å; F268-L273 HydrophobicContact CG-CG 4.28Å; L269-L273 PolarHBondContact O-N 3.4Å; V270-L273 PolarHBondContact O-N 3.25Å; L273-E276 PolarHBondContact O-N 3.44Å; L273-Y277 HydrophobicContact CB-CD2 4.35Å; L273-Y277 HydrophobicContact CB-CE2 4.05Å; L273-Y277 HydrophobicContact CD2-CE2 4.17Å; L273-Y277 WeakPolarHBondContact O-CB 3.41Å; L273-Y277 WeakPolarHBondContact O-CD2 3.1Å; L273-Y277 VanDerWaalsContact O-CG 3.32Å; L273-Y277 PolarHBondContact O-N 3.21Å
274A95.3Very high93.1Very high0 Ų044.6 Ų44.60%025%0.254CS..Hα-helixtrans-62.8-44.7179.600000111.4L244 V248 V270 Y277 G278 I279 V287L244-A274 HydrophobicContact CD1-CB 3.99Å; V248-A274 HydrophobicContact CG1-CB 3.86Å; V270-A274 VanDerWaalsContact O-CB 3.28Å; V270-A274 WeakPolarHBondContact O-CB 3.42Å; V270-A274 PolarHBondContact O-N 3.01Å; A274-Y277 PolarHBondContact O-N 2.94Å; A274-G278 PolarHBondContact O-N 3.04Å; A274-I279 HydrophobicContact CB-CB 4.28Å; A274-I279 PolarHBondContact O-N 3.02Å; A274-V287 HydrophobicContact CB-CB 4.18Å; A274-V287 HydrophobicContact CB-CG1 4.22Å; A274-V287 HydrophobicContact CB-CG2 3.82Å
275E92.8Very high92.3Very high105 Ų10546.4 Ų46.449%0.49126%0.257SS..Hα-helixtrans-62.5-47.6173.2-180-174.5-134.400111.6S271 Y277 G278 R313S271-E275 PolarHBondContact O-N 3.47Å; E275-Y277 PolarHBondContact O-N 2.9Å; E275-Y277 VanDerWaalsContact O-N 3.16Å; E275-G278 PolarHBondContact O-N 3.31Å; E275-R313 IonicContact OE1-CZ 2.78Å; E275-R313 IonicContact OE1-NH1 3.4Å; E275-R313 IonicContact OE1-NH2 3.52Å; E275-R313 PolarHBondContact OE1-NH2 3.41Å; E275-R313 IonicContact OE2-CZ 3.18Å; E275-R313 IonicContact OE2-NH1 3.53Å; E275-R313 PolarHBondContact OE2-NH1 3.11Å; E275-R313 IonicContact OE2-NH2 3.61Å; E275-R313 PolarHBondContact OE2-NH2 2.87Å
276E94.6Very high91.6Very high94 Ų9451.6 Ų51.644%0.43928%0.278SS..Hα-helixtrans-56.2-35.4-179.2-163.7-169.515100112K259 R263 D272 L273K259-E276 WeakPolarHBondContact CE-OE1 3.4Å; K259-E276 IonicContact NZ-OE1 2.83Å; K259-E276 PolarHBondContact NZ-OE1 3.42Å; R263-E276 IonicContact CZ-OE1 2.69Å; R263-E276 IonicContact CZ-OE2 2.67Å; R263-E276 IonicContact NH1-OE2 3.9Å; R263-E276 PolarHBondContact NH1-OE2 3.12Å; R263-E276 IonicContact NH2-OE1 2.89Å; R263-E276 PolarHBondContact NH2-OE1 2.85Å; R263-E276 IonicContact NH2-OE2 3.87Å; R263-E276 PolarHBondContact NH2-OE2 2.96Å; D272-E276 WeakPolarHBondContact O-CB 3.1Å; D272-E276 PolarHBondContact O-N 2.88Å; L273-E276 PolarHBondContact O-N 3.44Å
277Y95.6Very high91.1Very high53 Ų5347.7 Ų47.721%0.20826%0.261CS..THydrogen-bonded Turntrans-93.5-0.1179-58.3-37.3000114.6V248 M252 E255 R263 L273 A274 E275 I279V248-Y277 WeakPolarHBondContact O-CE2 3.09Å; M252-Y277 HydrophobicContact CG-CE2 4.06Å; M252-Y277 VanDerWaalsContact CG-OH 3.22Å; M252-Y277 WeakPolarHBondContact CG-OH 3.32Å; E255-Y277 VanDerWaalsContact CD-OH 3.3Å; E255-Y277 HydrophobicContact CG-CE1 4.43Å; E255-Y277 WeakPolarHBondContact OE1-CE1 3.31Å; E255-Y277 PolarHBondContact OE1-OH 3.13Å; R263-Y277 PolarHBondContact NH2-OH 3.41Å; L273-Y277 HydrophobicContact CB-CD2 4.35Å; L273-Y277 HydrophobicContact CB-CE2 4.05Å; L273-Y277 HydrophobicContact CD2-CE2 4.17Å; L273-Y277 WeakPolarHBondContact O-CB 3.41Å; L273-Y277 WeakPolarHBondContact O-CD2 3.1Å; L273-Y277 VanDerWaalsContact O-CG 3.32Å; L273-Y277 PolarHBondContact O-N 3.21Å; A274-Y277 PolarHBondContact O-N 2.94Å; E275-Y277 PolarHBondContact O-N 2.9Å; E275-Y277 VanDerWaalsContact O-N 3.16Å; Y277-I279 VanDerWaalsContact C-N 3.28Å; Y277-I279 HydrophobicContact CD2-CD1 3.99Å; Y277-I279 HydrophobicContact CG-CD1 4.29Å; Y277-I279 PolarHBondContact O-N 3.5Å
278G94.1Very high90.5Very high51 Ų5147.8 Ų47.853%0.52626%0.262SS..THydrogen-bonded Turntrans64.729.1-175.700000114A274 E275 H280A274-G278 PolarHBondContact O-N 3.04Å; E275-G278 PolarHBondContact O-N 3.31Å; G278-H280 PolarHBondContact O-ND1 3.24Å; G278-H280 VanDerWaalsContact O-ND1 3.16Å
279I94.7Very high90.1Very high31 Ų3146 Ų4616%0.15925%0.254CS..PPolyproline II helixtrans-86.7127.3-178.9-61.8168.1000109.8L244 R247 V248 A274 Y277L244-I279 HydrophobicContact CD1-CG2 3.65Å; R247-I279 HydrophobicContact CB-CD1 4.13Å; R247-I279 HydrophobicContact CB-CG2 4.02Å; R247-I279 WeakPolarHBondContact O-CD1 3.4Å; V248-I279 HydrophobicContact CG1-CD1 4.08Å; A274-I279 HydrophobicContact CB-CB 4.28Å; A274-I279 PolarHBondContact O-N 3.02Å; Y277-I279 VanDerWaalsContact C-N 3.28Å; Y277-I279 HydrophobicContact CD2-CD1 3.99Å; Y277-I279 HydrophobicContact CG-CD1 4.29Å; Y277-I279 PolarHBondContact O-N 3.5Å
280H92.1Very high89.8Confident94 Ų9446.5 Ų46.544%0.43526%0.256SS..PPolyproline II helixtrans-101.8165.9176.9-64.469.6000111R247 G278R247-H280 PolarHBondContact NH1-O 2.75Å; R247-H280 PolarHBondContact NH2-O 3.46Å; G278-H280 PolarHBondContact O-ND1 3.24Å; G278-H280 VanDerWaalsContact O-ND1 3.16Å
281E90.3Very high89.5Confident5 Ų547.9 Ų47.92%0.02326%0.262CS..PPolyproline II helixtrans-64.7168.5169.4-74.7-69.3-178.200112.8E240 S241 L244 R247 C283 G284 R285 V287E240-E281 VanDerWaalsContact CA-OE1 3.22Å; E240-E281 WeakPolarHBondContact CA-OE1 3.31Å; S241-E281 WeakPolarHBondContact CB-OE2 3.44Å; S241-E281 PolarHBondContact N-OE1 3.01Å; S241-E281 PolarHBondContact N-OE2 2.82Å; S241-E281 VanDerWaalsContact N-OE2 3.14Å; S241-E281 PolarHBondContact OG-OE2 3.3Å; L244-E281 WeakPolarHBondContact CD2-OE1 3.32Å; R247-E281 IonicContact NH2-OE2 3.03Å; E281-C283 PolarHBondContact O-N 3.38Å; E281-C283 VanDerWaalsContact O-N 3.15Å; E281-G284 PolarHBondContact O-N 3.03Å; E281-R285 HydrophobicContact CB-CB 4.16Å; E281-R285 WeakPolarHBondContact CB-O 3.36Å; E281-R285 PolarHBondContact N-O 3.05Å; E281-V287 HydrophobicContact CG-CG2 4.21Å
282D81.7Confident89.4Confident98 Ų9847.8 Ų47.852%0.52426%0.261SS..THydrogen-bonded Turntrans-59.2-22.7-17956.55.8000114.8R219R219-D282 IonicContact CZ-OD1 3.99Å; R219-D282 IonicContact CZ-OD2 2.89Å; R219-D282 IonicContact NH2-OD1 3.7Å; R219-D282 PolarHBondContact NH2-OD1 3.19Å; R219-D282 IonicContact NH2-OD2 3.99Å; R219-D282 PolarHBondContact NH2-OD2 3.49Å
283C76.8Confident89.2Confident90 Ų9049 Ų4961%0.60827%0.267SS*.THydrogen-bonded Turntrans-97.413.3173.359.40000114.4E281 R285E281-C283 PolarHBondContact O-N 3.38Å; E281-C283 VanDerWaalsContact O-N 3.15Å; C283-R285 PolarHBondContact O-N 3.4Å; C283-R285 VanDerWaalsContact SG-CB 3.52Å
284G80.8Confident89Confident51 Ų5152 Ų5253%0.52628%0.28SS..SBendtrans74.92.7-175.300000114.2E281E281-G284 PolarHBondContact O-N 3.03Å
285R82.8Confident88.6Confident64 Ų6454.3 Ų54.324%0.24229%0.289CS..PPolyproline II helixtrans-66.5145.5176.2178.8177.755.984.6-10.6111E237 S239 E281 C283E237-R285 PolarHBondContact O-NE 3.38Å; E237-R285 PolarHBondContact O-NH1 2.96Å; E237-R285 PolarHBondContact O-NH2 3.22Å; S239-R285 PolarHBondContact O-NH2 3.41Å; E281-R285 HydrophobicContact CB-CB 4.16Å; E281-R285 WeakPolarHBondContact CB-O 3.36Å; E281-R285 PolarHBondContact N-O 3.05Å; C283-R285 PolarHBondContact O-N 3.4Å; C283-R285 VanDerWaalsContact SG-CB 3.52Å
286E83.5Confident88.4Confident121 Ų12151.1 Ų51.157%0.56528%0.275SS*.PPolyproline II helixtrans-60.2139.7169.2-75.2-170.4175.800111.6M288 S310E286-M288 PolarHBondContact O-N 3.01Å; E286-S310 PolarHBondContact OE2-OG 3.4Å
287V88.1Confident88.1Confident24 Ų2448.3 Ų48.315%0.14526%0.263CS..PPolyproline II helixtrans-69.8119.6172.3-179.20000108.6L244 A274 E281 N289L244-V287 HydrophobicContact CD1-CG2 3.73Å; L244-V287 HydrophobicContact CD2-CB 4.35Å; L244-V287 HydrophobicContact CD2-CG1 3.61Å; L244-V287 HydrophobicContact CD2-CG2 3.74Å; L244-V287 HydrophobicContact CG-CG2 4.41Å; A274-V287 HydrophobicContact CB-CB 4.18Å; A274-V287 HydrophobicContact CB-CG1 4.22Å; A274-V287 HydrophobicContact CB-CG2 3.82Å; E281-V287 HydrophobicContact CG-CG2 4.21Å; V287-N289 PolarHBondContact O-N 3.06Å
288M84.2Confident87.6Confident36 Ų3648.3 Ų48.318%0.17727%0.271CS..PPolyproline II helixtrans-73.5118179.8-173.161.567.500109.7E286 Y295E286-M288 PolarHBondContact O-N 3.01Å; M288-Y295 HydrophobicContact CG-CD2 3.44Å; M288-Y295 VanDerWaalsContact CG-CD2 3.44Å; M288-Y295 HydrophobicContact CG-CE2 4.2Å; M288-Y295 HydrophobicContact CG-CG 4.1Å; M288-Y295 HydrophobicContact SD-CD2 4.2Å
289N89.5Confident87Confident5 Ų553.7 Ų53.73%0.02728%0.276CS..PPolyproline II helixtrans-82.4124.8175.3-164.9-61.8000110.5S271 D272 V287 R291 S292 R313S271-N289 PolarHBondContact OG-ND2 2.82Å; D272-N289 PolarHBondContact OD1-ND2 3.29Å; V287-N289 PolarHBondContact O-N 3.06Å; N289-R291 PolarHBondContact O-N 3.2Å; N289-R291 VanDerWaalsContact O-N 3.16Å; N289-R291 WeakPolarHBondContact OD1-CA 3.32Å; N289-R291 VanDerWaalsContact OD1-CB 3.31Å; N289-R291 WeakPolarHBondContact OD1-CB 3.44Å; N289-R291 PolarHBondContact OD1-N 3.15Å; N289-S292 VanDerWaalsContact O-CB 3.27Å; N289-S292 WeakPolarHBondContact O-CB 3.48Å; N289-S292 PolarHBondContact O-N 2.88Å; N289-S292 PolarHBondContact O-OG 3.47Å; N289-R313 VanDerWaalsContact ND2-CZ 3.32Å; N289-R313 PolarHBondContact ND2-NE 2.93Å; N289-R313 PolarHBondContact ND2-NH1 3.48Å
290I88.2Confident86.5Confident17 Ų1758.5 Ų58.59%0.08729%0.293CS..THydrogen-bonded Turntrans-63.8-19.9-179.263.8177.8000113.2I172 L269 Y295 F319I172-I290 HydrophobicContact CG2-CD1 3.84Å; L269-I290 HydrophobicContact CD1-CD1 4.07Å; L269-I290 HydrophobicContact CD1-CG1 4.05Å; L269-I290 HydrophobicContact CD2-CD1 3.88Å; I290-Y295 HydrophobicContact CB-CD1 4.41Å; I290-Y295 HydrophobicContact CB-CE1 4.28Å; I290-Y295 HydrophobicContact CG2-CE1 4.3Å; I290-Y295 WeakPolarHBondContact O-CD1 3.47Å; I290-F319 HydrophobicContact CB-CE2 4.48Å; I290-F319 HydrophobicContact CB-CZ 4.22Å; I290-F319 HydrophobicContact CD1-CE1 3.95Å; I290-F319 HydrophobicContact CD1-CZ 3.65Å; I290-F319 HydrophobicContact CG1-CE1 4.32Å; I290-F319 HydrophobicContact CG1-CE2 4.3Å; I290-F319 HydrophobicContact CG1-CZ 3.77Å; I290-F319 VanDerWaalsContact O-CE2 3.28Å; I290-F319 WeakPolarHBondContact O-CE2 3.17Å
291R91.3Very high86.1Confident30 Ų3057.2 Ų57.211%0.11330%0.304CS..THydrogen-bonded Turntrans-89.9-4.2174.6-54-173.5-69.4103.8-3.6113L269 D272 N289 L293 R313 I314 F319L269-R291 HydrophobicContact CD1-CG 4.1Å; D272-R291 IonicContact OD1-CZ 2.7Å; D272-R291 IonicContact OD1-NH2 2.87Å; D272-R291 PolarHBondContact OD1-NH2 2.98Å; D272-R291 IonicContact OD2-CZ 3.07Å; D272-R291 IonicContact OD2-NE 3.72Å; D272-R291 IonicContact OD2-NH2 2.83Å; D272-R291 PolarHBondContact OD2-NH2 2.72Å; N289-R291 PolarHBondContact O-N 3.2Å; N289-R291 VanDerWaalsContact O-N 3.16Å; N289-R291 WeakPolarHBondContact OD1-CA 3.32Å; N289-R291 VanDerWaalsContact OD1-CB 3.31Å; N289-R291 WeakPolarHBondContact OD1-CB 3.44Å; N289-R291 PolarHBondContact OD1-N 3.15Å; R291-L293 PolarHBondContact O-N 3.48Å; R291-R313 HydrophobicContact CB-CB 4.4Å; R291-R313 WeakPolarHBondContact O-CA 3.33Å; R291-I314 HydrophobicContact CB-CG1 4.35Å; R291-I314 PolarHBondContact NH1-O 3.2Å; R291-I314 PolarHBondContact O-N 3.13Å; R291-F319 HydrophobicContact CB-CD2 4.35Å; R291-F319 HydrophobicContact CG-CB 4.11Å; R291-F319 HydrophobicContact CG-CD1 4.07Å; R291-F319 HydrophobicContact CG-CD2 3.86Å; R291-F319 HydrophobicContact CG-CE1 4.44Å; R291-F319 HydrophobicContact CG-CE2 4.26Å; R291-F319 HydrophobicContact CG-CG 3.76Å
292S91.1Very high86.1Confident0 Ų063.5 Ų63.50%033%0.329CS..BIsolated β-bridgetrans-66.6136177.471.40000110.3N289 K294 Y295 L296 S310 I312N289-S292 VanDerWaalsContact O-CB 3.27Å; N289-S292 WeakPolarHBondContact O-CB 3.48Å; N289-S292 PolarHBondContact O-N 2.88Å; N289-S292 PolarHBondContact O-OG 3.47Å; S292-K294 PolarHBondContact O-N 2.71Å; S292-Y295 PolarHBondContact O-N 3.26Å; S292-Y295 VanDerWaalsContact O-N 3.08Å; S292-Y295 WeakPolarHBondContact OG-CB 3.31Å; S292-Y295 PolarHBondContact OG-N 2.81Å; S292-L296 WeakPolarHBondContact O-CG 3.25Å; S292-L296 PolarHBondContact O-N 3.2Å; S292-S310 VanDerWaalsContact CB-O 3.31Å; S292-S310 WeakPolarHBondContact CB-O 3.23Å; S292-I312 WeakPolarHBondContact CA-O 3.42Å
293L90.6Very high86.4Confident58 Ų5866.6 Ų66.630%0.30433%0.334SS..Hα-helixtrans-62-34.6177.1-175.162.4000110.4R291 L296 L297 I308 I312R291-L293 PolarHBondContact O-N 3.48Å; L293-L296 PolarHBondContact O-N 3.06Å; L293-L297 HydrophobicContact CD1-CD1 4.29Å; L293-L297 HydrophobicContact CD1-CD2 4.48Å; L293-L297 HydrophobicContact CD1-CG 4.03Å; L293-L297 HydrophobicContact CG-CD1 4.12Å; L293-L297 HydrophobicContact CG-CG 4.25Å; L293-L297 WeakPolarHBondContact O-CB 3.48Å; L293-L297 VanDerWaalsContact O-CG 3.31Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-L297 PolarHBondContact O-N 3.21Å; L293-I308 HydrophobicContact CB-CG2 4.12Å; L293-I308 HydrophobicContact CD2-CD1 3.79Å; L293-I308 HydrophobicContact CD2-CG2 4.29Å; L293-I308 HydrophobicContact CG-CD1 3.87Å; L293-I308 HydrophobicContact CG-CG2 4.34Å; L293-I312 HydrophobicContact CB-CG2 4.27Å; L293-I312 HydrophobicContact CD2-CG2 4.31Å; L293-I312 PolarHBondContact N-O 2.9Å
294K90.4Very high87.1Confident64 Ų6467.3 Ų67.328%0.27833%0.331SS..Hα-helixtrans-53.2-52.7169.3-179.7173-162.7166.80112S292 S298 A305 I308S292-K294 PolarHBondContact O-N 2.71Å; K294-S298 VanDerWaalsContact O-CB 3.25Å; K294-S298 WeakPolarHBondContact O-CB 3.41Å; K294-S298 PolarHBondContact O-N 3.46Å; K294-S298 PolarHBondContact O-OG 3.35Å; K294-A305 WeakPolarHBondContact CG-O 3.41Å; K294-I308 HydrophobicContact CB-CB 4.37Å; K294-I308 HydrophobicContact CB-CG2 4.46Å; K294-I308 WeakPolarHBondContact CD-O 3.34Å
295Y87.2Confident87.5Confident50 Ų5064.9 Ų64.920%0.19631%0.306CS..Hα-helixtrans-62.8-49.2179.6179.7-99.5000111.4N238 M288 I290 S292 L297 S298 Y299N238-Y295 HydrophobicContact CB-CE2 4.4Å; M288-Y295 HydrophobicContact CG-CD2 3.44Å; M288-Y295 VanDerWaalsContact CG-CD2 3.44Å; M288-Y295 HydrophobicContact CG-CE2 4.2Å; M288-Y295 HydrophobicContact CG-CG 4.1Å; M288-Y295 HydrophobicContact SD-CD2 4.2Å; I290-Y295 HydrophobicContact CB-CD1 4.41Å; I290-Y295 HydrophobicContact CB-CE1 4.28Å; I290-Y295 HydrophobicContact CG2-CE1 4.3Å; I290-Y295 WeakPolarHBondContact O-CD1 3.47Å; S292-Y295 PolarHBondContact O-N 3.26Å; S292-Y295 VanDerWaalsContact O-N 3.08Å; S292-Y295 WeakPolarHBondContact OG-CB 3.31Å; S292-Y295 PolarHBondContact OG-N 2.81Å; Y295-L297 VanDerWaalsContact C-N 3.34Å; Y295-L297 PolarHBondContact O-N 3.24Å; Y295-S298 PolarHBondContact O-N 3.14Å; Y295-Y299 WeakPolarHBondContact O-CB 3.4Å; Y295-Y299 PolarHBondContact O-N 2.89Å
296L88Confident87.7Confident37 Ų3768.7 Ų68.719%0.19432%0.324CS..Hα-helixtrans-60.8-42.2-176.7-68.4171.5000112.4S292 L293 R300 I314 F319S292-L296 WeakPolarHBondContact O-CG 3.25Å; S292-L296 PolarHBondContact O-N 3.2Å; L293-L296 PolarHBondContact O-N 3.06Å; L296-R300 WeakPolarHBondContact O-CG 3.42Å; L296-R300 PolarHBondContact O-N 3.31Å; L296-I314 HydrophobicContact CD1-CD1 3.5Å; L296-I314 VanDerWaalsContact CD1-CD1 3.5Å; L296-I314 HydrophobicContact CD1-CG1 3.82Å; L296-F319 HydrophobicContact CD2-CD2 4.43Å; L296-F319 HydrophobicContact CD2-CE2 4.15Å
297L88.7Confident88.1Confident35 Ų3570 Ų7018%0.18333%0.328CS..Hα-helixtrans-72.8-39.4176.7-68.9-173000112.2L293 Y295 Y299 R300 G301 Y302 I304 A305 I308L293-L297 HydrophobicContact CD1-CD1 4.29Å; L293-L297 HydrophobicContact CD1-CD2 4.48Å; L293-L297 HydrophobicContact CD1-CG 4.03Å; L293-L297 HydrophobicContact CG-CD1 4.12Å; L293-L297 HydrophobicContact CG-CG 4.25Å; L293-L297 WeakPolarHBondContact O-CB 3.48Å; L293-L297 VanDerWaalsContact O-CG 3.31Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-L297 PolarHBondContact O-N 3.21Å; Y295-L297 VanDerWaalsContact C-N 3.34Å; Y295-L297 PolarHBondContact O-N 3.24Å; L297-Y299 VanDerWaalsContact C-N 3.32Å; L297-Y299 PolarHBondContact O-N 3.43Å; L297-R300 CarbonylContact O-C 3.59Å; L297-R300 PolarHBondContact O-N 3.2Å; L297-R300 VanDerWaalsContact O-N 3.16Å; L297-G301 PolarHBondContact O-N 3.4Å; L297-Y302 HydrophobicContact CB-CD2 4.44Å; L297-Y302 HydrophobicContact CD2-CD2 3.72Å; L297-Y302 HydrophobicContact CD2-CE2 4.3Å; L297-Y302 HydrophobicContact CD2-CG 4.31Å; L297-Y302 PolarHBondContact O-N 3.23Å; L297-I304 HydrophobicContact CD1-CG2 3.84Å; L297-A305 HydrophobicContact CB-CB 3.58Å; L297-I308 HydrophobicContact CD1-CD1 3.28Å; L297-I308 HydrophobicContact CG-CD1 4.49Å
298S86.2Confident88.2Confident53 Ų5370 Ų7037%0.37133%0.327SS..Hα-helixtrans-61.2-43.2175.9-60.50000111.1K294 Y295 R300 G301 A305K294-S298 VanDerWaalsContact O-CB 3.25Å; K294-S298 WeakPolarHBondContact O-CB 3.41Å; K294-S298 PolarHBondContact O-N 3.46Å; K294-S298 PolarHBondContact O-OG 3.35Å; Y295-S298 PolarHBondContact O-N 3.14Å; S298-R300 PolarHBondContact O-N 2.88Å; S298-G301 PolarHBondContact O-N 3.08Å; S298-A305 WeakPolarHBondContact OG-CB 3.42Å
299Y81.4Confident88.4Confident165 Ų16570.8 Ų70.865%0.64734%0.335SS*.Hα-helixtrans-60.9-31.2177.2-177.3-97000112.6Y295 L297 G301Y295-Y299 WeakPolarHBondContact O-CB 3.4Å; Y295-Y299 PolarHBondContact O-N 2.89Å; L297-Y299 VanDerWaalsContact C-N 3.32Å; L297-Y299 PolarHBondContact O-N 3.43Å; Y299-G301 VanDerWaalsContact C-N 3.34Å
300R84.1Confident88.2Confident132 Ų13272.2 Ų72.250%0.49835%0.345SS..THydrogen-bonded Turntrans-87.40.6175.9-66.8-72.4-165.8131.712113.6L296 L297 S298 Y302 R326L296-R300 WeakPolarHBondContact O-CG 3.42Å; L296-R300 PolarHBondContact O-N 3.31Å; L297-R300 CarbonylContact O-C 3.59Å; L297-R300 PolarHBondContact O-N 3.2Å; L297-R300 VanDerWaalsContact O-N 3.16Å; S298-R300 PolarHBondContact O-N 2.88Å; R300-Y302 HydrophobicContact CB-CD2 3.5Å; R300-Y302 HydrophobicContact CB-CE2 3.52Å; R300-Y302 HydrophobicContact CG-CE2 4.27Å; R300-R326 VanDerWaalsContact NH1-NH2 3.16Å; R300-R326 VanDerWaalsContact NH2-NH2 3.1Å
301G84.1Confident88Confident66 Ų6678.2 Ų78.268%0.6837%0.371SS*.THydrogen-bonded Turntrans78.913.3179.200000115.1L297 S298 Y299 Y303L297-G301 PolarHBondContact O-N 3.4Å; S298-G301 PolarHBondContact O-N 3.08Å; Y299-G301 VanDerWaalsContact C-N 3.34Å; G301-Y303 PolarHBondContact O-N 3.33Å
302Y89Confident88Confident138 Ų13880.2 Ų80.254%0.54138%0.383SS..  trans-76.5117.8178.6-68.2-73.3000111.2L297 R300 I304 A305L297-Y302 HydrophobicContact CB-CD2 4.44Å; L297-Y302 HydrophobicContact CD2-CD2 3.72Å; L297-Y302 HydrophobicContact CD2-CE2 4.3Å; L297-Y302 HydrophobicContact CD2-CG 4.31Å; L297-Y302 PolarHBondContact O-N 3.23Å; R300-Y302 HydrophobicContact CB-CD2 3.5Å; R300-Y302 HydrophobicContact CB-CE2 3.52Å; R300-Y302 HydrophobicContact CG-CE2 4.27Å; Y302-I304 PolarHBondContact O-N 3.41Å; Y302-A305 WeakPolarHBondContact O-CB 3Å; Y302-A305 PolarHBondContact O-N 2.85Å; Y302-A305 VanDerWaalsContact O-N 3.08Å
303Y88.6Confident88Confident163 Ų16383.1 Ų83.164%0.63939%0.394SS*.G310 helixtrans-57.5-34-178.6-175.9-98.2000113.7G301 A305 K306 F307G301-Y303 PolarHBondContact O-N 3.33Å; Y303-A305 PolarHBondContact O-N 3.42Å; Y303-K306 HydrophobicContact CE2-CD 4.26Å; Y303-K306 PolarHBondContact O-N 2.86Å; Y303-F307 HydrophobicContact CD1-CE2 4.19Å; Y303-F307 AromaticContact CE1-CE2 3.73Å; Y303-F307 HydrophobicContact CE1-CE2 3.73Å; Y303-F307 HydrophobicContact CE1-CZ 4.24Å
304I91.8Very high88.1Confident104 Ų10481.5 Ų81.553%0.53339%0.386SS..G310 helixtrans-57.7-22.6179.2-163167.9000113L297 Y302 K306 F307L297-I304 HydrophobicContact CD1-CG2 3.84Å; Y302-I304 PolarHBondContact O-N 3.41Å; I304-K306 PolarHBondContact O-N 3.02Å; I304-K306 VanDerWaalsContact O-N 3.08Å; I304-F307 PolarHBondContact O-N 3.44Å
305A88.1Confident88.2Confident1 Ų181.3 Ų81.31%0.00839%0.391CS..G310 helixtrans-53.9-32.117900000113.3K294 L297 S298 Y302 Y303 F307 I308K294-A305 WeakPolarHBondContact CG-O 3.41Å; L297-A305 HydrophobicContact CB-CB 3.58Å; S298-A305 WeakPolarHBondContact OG-CB 3.42Å; Y302-A305 WeakPolarHBondContact O-CB 3Å; Y302-A305 PolarHBondContact O-N 2.85Å; Y302-A305 VanDerWaalsContact O-N 3.08Å; Y303-A305 PolarHBondContact O-N 3.42Å; A305-F307 PolarHBondContact O-N 2.99Å; A305-I308 PolarHBondContact O-N 3.27Å
306K87.3Confident88.2Confident143 Ų14383 Ų8362%0.62240%0.401SS*.G310 helixtrans-60.9-27.1179.6-67.5-175.5177.4-174.90113.3Y303 I304Y303-K306 HydrophobicContact CE2-CD 4.26Å; Y303-K306 PolarHBondContact O-N 2.86Å; I304-K306 PolarHBondContact O-N 3.02Å; I304-K306 VanDerWaalsContact O-N 3.08Å
307F92Very high88.3Confident148 Ų14889.2 Ų89.265%0.64942%0.422SS*.G310 helixtrans-96-5.4-177.8-55.7-75.9000113.6Y303 I304 A305Y303-F307 HydrophobicContact CD1-CE2 4.19Å; Y303-F307 AromaticContact CE1-CE2 3.73Å; Y303-F307 HydrophobicContact CE1-CE2 3.73Å; Y303-F307 HydrophobicContact CE1-CZ 4.24Å; I304-F307 PolarHBondContact O-N 3.44Å; A305-F307 PolarHBondContact O-N 2.99Å
308I90.2Very high88.5Confident25 Ų2590.2 Ų90.213%0.12843%0.427CS..SBendtrans-85.9127.4179.5-58.6-167.6000109.5L293 K294 L297 A305 I312L293-I308 HydrophobicContact CB-CG2 4.12Å; L293-I308 HydrophobicContact CD2-CD1 3.79Å; L293-I308 HydrophobicContact CD2-CG2 4.29Å; L293-I308 HydrophobicContact CG-CD1 3.87Å; L293-I308 HydrophobicContact CG-CG2 4.34Å; K294-I308 HydrophobicContact CB-CB 4.37Å; K294-I308 HydrophobicContact CB-CG2 4.46Å; K294-I308 WeakPolarHBondContact CD-O 3.34Å; L297-I308 HydrophobicContact CD1-CD1 3.28Å; L297-I308 HydrophobicContact CG-CD1 4.49Å; A305-I308 PolarHBondContact O-N 3.27Å; I308-I312 HydrophobicContact CG2-CB 4.35Å; I308-I312 HydrophobicContact CG2-CD1 4.39Å
309P88.7Confident88.7Confident53 Ų5388 Ų8834%0.34441%0.411SS..  trans-61140.8173.7-21.631.6000112.8F311 I312P309-F311 HydrophobicContact CB-CD1 3.53Å; P309-F311 HydrophobicContact CB-CE1 3.19Å; P309-F311 HydrophobicContact CB-CE2 4.26Å; P309-F311 HydrophobicContact CB-CG 4.21Å; P309-F311 HydrophobicContact CB-CZ 3.59Å; P309-F311 HydrophobicContact CG-CE1 3.9Å; P309-F311 HydrophobicContact CG-CZ 3.92Å; P309-F311 PolarHBondContact O-N 2.99Å; P309-I312 HydrophobicContact CB-CG1 4.37Å; P309-I312 HydrophobicContact CG-CD1 4.22Å; P309-I312 PolarHBondContact O-N 3.39Å
310S84.7Confident89.1Confident34 Ų3481.6 Ų81.624%0.23839%0.385CS..THydrogen-bonded Turntrans-63.4-24.8-178.944.80000113.5E286 S292 I312E286-S310 PolarHBondContact OE2-OG 3.4Å; S292-S310 VanDerWaalsContact CB-O 3.31Å; S292-S310 WeakPolarHBondContact CB-O 3.23Å; S310-I312 VanDerWaalsContact C-N 3.31Å; S310-I312 PolarHBondContact O-N 2.63Å
311F85.5Confident89.3Confident144 Ų14479.3 Ų79.363%0.63238%0.382SS*.THydrogen-bonded Turntrans-74.2-16.5178.466.7-104.4000113.9P309 R313P309-F311 HydrophobicContact CB-CD1 3.53Å; P309-F311 HydrophobicContact CB-CE1 3.19Å; P309-F311 HydrophobicContact CB-CE2 4.26Å; P309-F311 HydrophobicContact CB-CG 4.21Å; P309-F311 HydrophobicContact CB-CZ 3.59Å; P309-F311 HydrophobicContact CG-CE1 3.9Å; P309-F311 HydrophobicContact CG-CZ 3.92Å; P309-F311 PolarHBondContact O-N 2.99Å; F311-R313 PolarHBondContact O-N 3.31Å
312I91.2Very high89.4Confident71 Ų7179.7 Ų79.736%0.36437%0.368SS..  trans-76.5110.6175.9-58.4-176.4000108.6S292 L293 I308 P309 S310S292-I312 WeakPolarHBondContact CA-O 3.42Å; L293-I312 HydrophobicContact CB-CG2 4.27Å; L293-I312 HydrophobicContact CD2-CG2 4.31Å; L293-I312 PolarHBondContact N-O 2.9Å; I308-I312 HydrophobicContact CG2-CB 4.35Å; I308-I312 HydrophobicContact CG2-CD1 4.39Å; P309-I312 HydrophobicContact CB-CG1 4.37Å; P309-I312 HydrophobicContact CG-CD1 4.22Å; P309-I312 PolarHBondContact O-N 3.39Å; S310-I312 VanDerWaalsContact C-N 3.31Å; S310-I312 PolarHBondContact O-N 2.63Å
313R91.4Very high89.2Confident61 Ų6174.9 Ų74.923%0.2335%0.352CS..BIsolated β-bridgetrans-123.2147.6-176.4-61.7-179.8-170151.822.1111.8D272 E275 N289 R291 F311D272-R313 IonicContact OD1-NH1 3.5Å; D272-R313 PolarHBondContact OD1-NH1 3.03Å; D272-R313 VanDerWaalsContact OD1-NH1 3.14Å; E275-R313 IonicContact OE1-CZ 2.78Å; E275-R313 IonicContact OE1-NH1 3.4Å; E275-R313 IonicContact OE1-NH2 3.52Å; E275-R313 PolarHBondContact OE1-NH2 3.41Å; E275-R313 IonicContact OE2-CZ 3.18Å; E275-R313 IonicContact OE2-NH1 3.53Å; E275-R313 PolarHBondContact OE2-NH1 3.11Å; E275-R313 IonicContact OE2-NH2 3.61Å; E275-R313 PolarHBondContact OE2-NH2 2.87Å; N289-R313 VanDerWaalsContact ND2-CZ 3.32Å; N289-R313 PolarHBondContact ND2-NE 2.93Å; N289-R313 PolarHBondContact ND2-NH1 3.48Å; R291-R313 HydrophobicContact CB-CB 4.4Å; R291-R313 WeakPolarHBondContact O-CA 3.33Å; F311-R313 PolarHBondContact O-N 3.31Å
314I92.1Very high88.8Confident25 Ų2573.3 Ų73.313%0.12835%0.348CS..  trans-77.5145.2165.260.4169.5000110.2R291 L296 L318 F319 I322R291-I314 HydrophobicContact CB-CG1 4.35Å; R291-I314 PolarHBondContact NH1-O 3.2Å; R291-I314 PolarHBondContact O-N 3.13Å; L296-I314 HydrophobicContact CD1-CD1 3.5Å; L296-I314 VanDerWaalsContact CD1-CD1 3.5Å; L296-I314 HydrophobicContact CD1-CG1 3.82Å; I314-L318 HydrophobicContact CB-CD2 4.29Å; I314-L318 HydrophobicContact CG2-CD2 4.41Å; I314-F319 HydrophobicContact CD1-CB 3.74Å; I314-F319 HydrophobicContact CD1-CD2 4.03Å; I314-F319 HydrophobicContact CD1-CG 4.4Å; I314-F319 HydrophobicContact CG1-CB 4.02Å; I314-F319 HydrophobicContact CG1-CD2 4.45Å; I314-I322 HydrophobicContact CD1-CD1 3.77Å
315P91.1Very high87.6Confident60 Ų6077.2 Ų77.239%0.3936%0.357SS..  trans-55.3147.3173.3-25.734.7000111.7W317 L318 F319P315-W317 VanDerWaalsContact C-N 3.31Å; P315-W317 HydrophobicContact CB-CG 4.34Å; P315-W317 VanDerWaalsContact CB-NE1 3.31Å; P315-W317 PolarHBondContact O-N 2.9Å; P315-L318 HydrophobicContact CB-CB 4.46Å; P315-L318 PolarHBondContact O-N 3.37Å; P315-F319 PolarHBondContact O-N 3.2Å
316E89.1Confident86.5Confident84 Ų8485.5 Ų85.539%0.39339%0.388SS..Hα-helixtrans-54.7-44.9-177.8-177.1-177.3169.700112.6K175 L318 F319 Y320K175-E316 IonicContact NZ-OE1 3.88Å; K175-E316 PolarHBondContact NZ-OE1 3.39Å; E316-L318 VanDerWaalsContact C-N 3.29Å; E316-L318 PolarHBondContact O-N 2.88Å; E316-F319 WeakPolarHBondContact O-CB 3.27Å; E316-F319 PolarHBondContact O-N 3.08Å; E316-Y320 HydrophobicContact CG-CD2 3.77Å; E316-Y320 HydrophobicContact CG-CE2 3.29Å; E316-Y320 WeakPolarHBondContact O-CD2 3.11Å; E316-Y320 PolarHBondContact O-N 3.11Å; E316-Y320 VanDerWaalsContact O-N 3.09Å; E316-Y320 WeakPolarHBondContact OE1-CE2 3.39Å
317W89.9Confident86.5Confident169 Ų16982.7 Ų82.764%0.6438%0.377SS*.Hα-helixtrans-59.5-40.7178.266.1-96.8000111.9P315 I321P315-W317 VanDerWaalsContact C-N 3.31Å; P315-W317 HydrophobicContact CB-CG 4.34Å; P315-W317 VanDerWaalsContact CB-NE1 3.31Å; P315-W317 PolarHBondContact O-N 2.9Å; W317-I321 HydrophobicContact CE3-CD1 3.67Å; W317-I321 HydrophobicContact CZ3-CD1 4.01Å; W317-I321 VanDerWaalsContact O-CG1 3.26Å; W317-I321 WeakPolarHBondContact O-CG1 3.4Å; W317-I321 PolarHBondContact O-N 2.96Å
318L91.3Very high86.2Confident55 Ų5579.2 Ų79.229%0.28836%0.362SS..Hα-helixtrans-70.9-39.3179.3-178.859.2000110.9I314 P315 E316 Y320 I321 I322I314-L318 HydrophobicContact CB-CD2 4.29Å; I314-L318 HydrophobicContact CG2-CD2 4.41Å; P315-L318 HydrophobicContact CB-CB 4.46Å; P315-L318 PolarHBondContact O-N 3.37Å; E316-L318 VanDerWaalsContact C-N 3.29Å; E316-L318 PolarHBondContact O-N 2.88Å; L318-Y320 PolarHBondContact O-N 2.98Å; L318-I321 PolarHBondContact O-N 3.39Å; L318-I322 HydrophobicContact CD1-CD1 4.08Å; L318-I322 HydrophobicContact CD1-CG1 4.2Å; L318-I322 HydrophobicContact CG-CD1 3.88Å; L318-I322 HydrophobicContact CG-CG1 4.44Å; L318-I322 VanDerWaalsContact O-CG1 3.29Å; L318-I322 WeakPolarHBondContact O-CG1 3.48Å; L318-I322 PolarHBondContact O-N 2.95Å
319F90.6Very high86Confident8 Ų882.2 Ų82.24%0.03538%0.375CS..Hα-helixtrans-56.7-48175.3176.1-103000111.8I290 R291 L296 I314 P315 E316 I322 L323I290-F319 HydrophobicContact CB-CE2 4.48Å; I290-F319 HydrophobicContact CB-CZ 4.22Å; I290-F319 HydrophobicContact CD1-CE1 3.95Å; I290-F319 HydrophobicContact CD1-CZ 3.65Å; I290-F319 HydrophobicContact CG1-CE1 4.32Å; I290-F319 HydrophobicContact CG1-CE2 4.3Å; I290-F319 HydrophobicContact CG1-CZ 3.77Å; I290-F319 VanDerWaalsContact O-CE2 3.28Å; I290-F319 WeakPolarHBondContact O-CE2 3.17Å; R291-F319 HydrophobicContact CB-CD2 4.35Å; R291-F319 HydrophobicContact CG-CB 4.11Å; R291-F319 HydrophobicContact CG-CD1 4.07Å; R291-F319 HydrophobicContact CG-CD2 3.86Å; R291-F319 HydrophobicContact CG-CE1 4.44Å; R291-F319 HydrophobicContact CG-CE2 4.26Å; R291-F319 HydrophobicContact CG-CG 3.76Å; L296-F319 HydrophobicContact CD2-CD2 4.43Å; L296-F319 HydrophobicContact CD2-CE2 4.15Å; I314-F319 HydrophobicContact CD1-CB 3.74Å; I314-F319 HydrophobicContact CD1-CD2 4.03Å; I314-F319 HydrophobicContact CD1-CG 4.4Å; I314-F319 HydrophobicContact CG1-CB 4.02Å; I314-F319 HydrophobicContact CG1-CD2 4.45Å; P315-F319 PolarHBondContact O-N 3.2Å; E316-F319 WeakPolarHBondContact O-CB 3.27Å; E316-F319 PolarHBondContact O-N 3.08Å; F319-I322 PolarHBondContact O-N 3.26Å; F319-L323 HydrophobicContact CD1-CD1 4.15Å; F319-L323 HydrophobicContact CD2-CD1 4.22Å; F319-L323 HydrophobicContact CE1-CD1 3.57Å; F319-L323 HydrophobicContact CE2-CD1 3.65Å; F319-L323 HydrophobicContact CG-CD1 4.46Å; F319-L323 HydrophobicContact CZ-CD1 3.28Å; F319-L323 WeakPolarHBondContact O-CG 3.5Å; F319-L323 PolarHBondContact O-N 3.5Å
320Y90.1Very high85.8Confident29 Ų2983.9 Ų83.911%0.11438%0.377CS..Hα-helixtrans-70.2-35.9178.6-67.3-56.8000113.1I172 K175 I176 E316 L318 I322 L323 K324I172-Y320 HydrophobicContact CB-CE1 4.29Å; I172-Y320 HydrophobicContact CG2-CE1 4.33Å; K175-Y320 HydrophobicContact CB-CD1 3.77Å; K175-Y320 HydrophobicContact CB-CE1 3.79Å; K175-Y320 HydrophobicContact CB-CG 4.22Å; K175-Y320 HydrophobicContact CD-CD1 4.15Å; K175-Y320 HydrophobicContact CD-CD2 3.85Å; K175-Y320 HydrophobicContact CD-CE1 3.67Å; K175-Y320 HydrophobicContact CD-CE2 3.29Å; K175-Y320 HydrophobicContact CD-CG 4.24Å; K175-Y320 WeakPolarHBondContact CD-OH 3.27Å; K175-Y320 HydrophobicContact CG-CE1 4.37Å; K175-Y320 PolarHBondContact NZ-OH 3.09Å; I176-Y320 HydrophobicContact CG2-CD1 3.9Å; E316-Y320 HydrophobicContact CG-CD2 3.77Å; E316-Y320 HydrophobicContact CG-CE2 3.29Å; E316-Y320 WeakPolarHBondContact O-CD2 3.11Å; E316-Y320 PolarHBondContact O-N 3.11Å; E316-Y320 VanDerWaalsContact O-N 3.09Å; E316-Y320 WeakPolarHBondContact OE1-CE2 3.39Å; L318-Y320 PolarHBondContact O-N 2.98Å; Y320-I322 PolarHBondContact O-N 2.73Å; Y320-L323 PolarHBondContact O-N 2.8Å; Y320-K324 WeakPolarHBondContact O-CB 3.47Å; Y320-K324 PolarHBondContact O-N 3.22Å
321I88.3Confident85.9Confident84 Ų8487.1 Ų87.143%0.43139%0.386SS..Hα-helixtrans-60.5-46.1173.7-71.7175.3000110.6W317 L318 L323 K324 Y325W317-I321 HydrophobicContact CE3-CD1 3.67Å; W317-I321 HydrophobicContact CZ3-CD1 4.01Å; W317-I321 VanDerWaalsContact O-CG1 3.26Å; W317-I321 WeakPolarHBondContact O-CG1 3.4Å; W317-I321 PolarHBondContact O-N 2.96Å; L318-I321 PolarHBondContact O-N 3.39Å; I321-L323 VanDerWaalsContact C-N 3.25Å; I321-L323 PolarHBondContact O-N 3.23Å; I321-K324 PolarHBondContact O-N 2.72Å; I321-Y325 HydrophobicContact CG2-CD2 4.47Å; I321-Y325 HydrophobicContact CG2-CE2 4.36Å; I321-Y325 VanDerWaalsContact O-CD2 3.3Å; I321-Y325 WeakPolarHBondContact O-CD2 3.21Å
322I86.6Confident85.9Confident75 Ų7583.3 Ų83.339%0.38537%0.37SS..Hα-helixtrans-60.8-35.9179.2-70.7167.4000111.8I314 L318 F319 Y320 R326I314-I322 HydrophobicContact CD1-CD1 3.77Å; L318-I322 HydrophobicContact CD1-CD1 4.08Å; L318-I322 HydrophobicContact CD1-CG1 4.2Å; L318-I322 HydrophobicContact CG-CD1 3.88Å; L318-I322 HydrophobicContact CG-CG1 4.44Å; L318-I322 VanDerWaalsContact O-CG1 3.29Å; L318-I322 WeakPolarHBondContact O-CG1 3.48Å; L318-I322 PolarHBondContact O-N 2.95Å; F319-I322 PolarHBondContact O-N 3.26Å; Y320-I322 PolarHBondContact O-N 2.73Å; I322-R326 WeakPolarHBondContact O-CG 3.3Å
323L85.6Confident85.5Confident37 Ų3784.1 Ų84.119%0.19437%0.37CS..Hα-helixtrans-88-24.6-177.1-69.8-179.4000114.1I176 F319 Y320 I321 Y325I176-L323 HydrophobicContact CB-CB 4.44Å; I176-L323 HydrophobicContact CD1-CB 3.8Å; I176-L323 HydrophobicContact CD1-CD1 3.82Å; I176-L323 HydrophobicContact CD1-CG 4.38Å; I176-L323 HydrophobicContact CG2-CB 3.83Å; F319-L323 HydrophobicContact CD1-CD1 4.15Å; F319-L323 HydrophobicContact CD2-CD1 4.22Å; F319-L323 HydrophobicContact CE1-CD1 3.57Å; F319-L323 HydrophobicContact CE2-CD1 3.65Å; F319-L323 HydrophobicContact CG-CD1 4.46Å; F319-L323 HydrophobicContact CZ-CD1 3.28Å; F319-L323 WeakPolarHBondContact O-CG 3.5Å; F319-L323 PolarHBondContact O-N 3.5Å; Y320-L323 PolarHBondContact O-N 2.8Å; I321-L323 VanDerWaalsContact C-N 3.25Å; I321-L323 PolarHBondContact O-N 3.23Å; L323-Y325 VanDerWaalsContact C-N 3.29Å; L323-Y325 PolarHBondContact O-N 3.31Å
324K79.7Confident85.1Confident129 Ų12985.9 Ų85.956%0.56138%0.381SS*.Hα-helixtrans-70.1-24.2-177.4-171.3171.4-177.8178.50113.6I176 Y320 I321I176-K324 HydrophobicContact CG2-CB 4.33Å; Y320-K324 WeakPolarHBondContact O-CB 3.47Å; Y320-K324 PolarHBondContact O-N 3.22Å; I321-K324 PolarHBondContact O-N 2.72Å
325Y66.7Low84.5Confident186 Ų18691 Ų9173%0.72940%0.402SS*.THydrogen-bonded Turntrans-109.625.1-175.8-61.6-74.6000113.8I321 L323I321-Y325 HydrophobicContact CG2-CD2 4.47Å; I321-Y325 HydrophobicContact CG2-CE2 4.36Å; I321-Y325 VanDerWaalsContact O-CD2 3.3Å; I321-Y325 WeakPolarHBondContact O-CD2 3.21Å; L323-Y325 VanDerWaalsContact C-N 3.29Å; L323-Y325 PolarHBondContact O-N 3.31Å
326R64.8Low83.9Confident176 Ų17693.8 Ų93.866%0.66440%0.403SS*.  trans-104.20171.2-63.1-176.487.7-165.9-2.5110R300 I322R300-R326 VanDerWaalsContact NH1-NH2 3.16Å; R300-R326 VanDerWaalsContact NH2-NH2 3.1Å; I322-R326 WeakPolarHBondContact O-CG 3.3Å

Retrieved 326 of 326 residues in 123.4 ms (Link to these results)

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