A0A090N7T9_HUMAN Loading...

Secernin 1

AlphaFold DB (Q12765), UniProt , Accession A0A090N7T9, Species HUMAN (Homo sapiens, Human), Gene SCRN1, Length 414 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
1M54.4Low86.8Confident197 Ų19731.7 Ų31.797%0.9719%0.189SC*.  0149.30-82.2-177.4-93.200108A3M1-A3 PolarHBondContact O-N 3.35Å
2A71.1Confident87.7Confident38 Ų3829.1 Ų29.131%0.31417%0.174SC..PPolyproline II helixtrans-61.8133.9168.500000108.5N96 H151 F153A2-N96 PolarHBondContact O-ND2 3.07Å; A2-N96 VanDerWaalsContact O-ND2 3.12Å; A2-H151 HydrophobicContact CB-CB 4.41Å; A2-F153 HydrophobicContact CB-CE1 3.95Å; A2-F153 HydrophobicContact CB-CZ 3.86Å
3A83Confident88.4Confident56 Ų5626.9 Ų26.946%0.46316%0.161SC..PPolyproline II helixtrans-79.1133.917200000108.4M1M1-A3 PolarHBondContact O-N 3.35Å
4A91Very high88.9Confident4 Ų426.7 Ų26.73%0.03316%0.16CC..PPolyproline II helixtrans-59.4138.8174.900000109.8A94 N96 F153A4-A94 HydrophobicContact CB-CB 4.06Å; A4-A94 WeakPolarHBondContact CB-O 3.11Å; A4-N96 VanDerWaalsContact CB-OD1 3.27Å; A4-N96 WeakPolarHBondContact CB-OD1 3.18Å; A4-N96 PolarHBondContact N-OD1 3.29Å; A4-F153 VanDerWaalsContact CA-CE1 3.43Å; A4-F153 HydrophobicContact CB-CD1 3.86Å; A4-F153 HydrophobicContact CB-CE1 4.07Å; A4-F153 HydrophobicContact CB-CG 4.46Å
5P91.5Very high89.1Confident0 Ų032.9 Ų32.90%020%0.201CC..PPolyproline II helixtrans-63.1125.5177.325.8-33.7000109.7S7 A29 A94 Y143 F144 F272P5-S7 PolarHBondContact O-N 2.95Å; P5-A29 HydrophobicContact CB-CB 4.44Å; P5-A29 WeakPolarHBondContact CB-O 3.35Å; P5-A94 HydrophobicContact CG-CB 3.94Å; P5-Y143 HydrophobicContact CG-CE1 3.99Å; P5-F144 HydrophobicContact CG-CE1 4.21Å; P5-F144 HydrophobicContact CG-CZ 4.21Å; P5-F272 HydrophobicContact CB-CD1 4Å; P5-F272 HydrophobicContact CB-CE1 3.89Å; P5-F272 HydrophobicContact CB-CE2 4.49Å; P5-F272 HydrophobicContact CB-CG 4.36Å; P5-F272 HydrophobicContact CB-CZ 4.14Å
6P90.1Very high89.4Confident33 Ų3334.6 Ų34.621%0.21420%0.203CC..  trans-71.697.9-172.225.4-31.2000110.5A29 I267P6-A29 WeakPolarHBondContact O-CB 3.34Å; P6-I267 HydrophobicContact CB-CD1 3.93Å; P6-I267 HydrophobicContact CB-CG1 4.32Å; P6-I267 HydrophobicContact CG-CD1 3.67Å; P6-I267 HydrophobicContact CG-CG1 3.9Å; P6-I267 HydrophobicContact CG-CG2 4.18Å; P6-I267 WeakPolarHBondContact O-CG1 3.42Å
7S92.1Very high89.7Confident2 Ų232.6 Ų32.61%0.01419%0.191CC..  trans-108.4165.3176.3-63.60000110.3P5 N27 A29 E93 C188P5-S7 PolarHBondContact O-N 2.95Å; S7-N27 WeakPolarHBondContact CB-O 3.49Å; S7-A29 WeakPolarHBondContact OG-CB 3.48Å; S7-A29 PolarHBondContact OG-N 3.29Å; S7-E93 VanDerWaalsContact C-OE1 3.24Å; S7-E93 WeakPolarHBondContact CA-OE2 3.29Å; S7-E93 VanDerWaalsContact CB-CD 3.44Å; S7-E93 WeakPolarHBondContact CB-OE1 3.43Å; S7-E93 WeakPolarHBondContact CB-OE2 3.39Å; S7-C188 WeakPolarHBondContact O-CA 3.47Å
8Y93.4Very high89.9Confident19 Ų1934.7 Ų34.78%0.07520%0.198CC..EExtended strand (participates in β ladder)trans-141.2133.8-177.7-69.1-90.6000110.3F10 K26 N27 E93 C188 G264 V265 I267Y8-F10 HydrophobicContact CD1-CZ 4.2Å; Y8-F10 HydrophobicContact CG-CZ 4.32Å; Y8-K26 WeakPolarHBondContact O-CA 3.21Å; Y8-N27 PolarHBondContact O-N 3.42Å; Y8-E93 PolarHBondContact N-OE1 3.41Å; Y8-E93 VanDerWaalsContact N-OE1 3.08Å; Y8-C188 HydrophobicContact CD1-CB 4.08Å; Y8-C188 HydrophobicContact CE1-CB 4.11Å; Y8-G264 VanDerWaalsContact CE2-O 3.28Å; Y8-G264 WeakPolarHBondContact CE2-O 3.03Å; Y8-V265 HydrophobicContact CD2-CB 4.46Å; Y8-V265 HydrophobicContact CD2-CG1 4.34Å; Y8-V265 HydrophobicContact CG-CG1 4.33Å; Y8-I267 HydrophobicContact CE2-CD1 4.38Å
9C95.2Very high90Very high0 Ų038.6 Ų38.60%022%0.218CC..EExtended strand (participates in β ladder)trans-127.9145.2173-58.40000111.1G25 K26 A91 E93 L158 C186 I187C9-G25 CarbonylContact C-O 3.48Å; C9-G25 WeakPolarHBondContact CA-O 3.27Å; C9-K26 WeakPolarHBondContact SG-CD 3.43Å; C9-K26 VanDerWaalsContact SG-CG 3.55Å; C9-A91 HydrophobicContact CB-CB 4.23Å; C9-A91 WeakPolarHBondContact SG-CB 3.46Å; C9-E93 PolarHBondContact SG-OE1 3.44Å; C9-L158 HydrophobicContact CB-CB 4.23Å; C9-L158 HydrophobicContact CB-CD2 3.89Å; C9-C186 CarbonylContact O-C 3.48Å; C9-C186 VanDerWaalsContact O-CA 3.29Å; C9-C186 WeakPolarHBondContact O-CA 3.34Å; C9-I187 HydrophobicContact CB-CD1 4.3Å; C9-I187 HydrophobicContact CB-CG1 3.66Å; C9-I187 PolarHBondContact N-O 3.03Å; C9-I187 PolarHBondContact O-N 3.11Å
10F96.1Very high90.1Very high0 Ų038.1 Ų38.10%022%0.221CC..EExtended strand (participates in β ladder)trans-137.4146.8-176-53.4-86.6000110.4Y8 F24 G25 R185 C186 L242 M254 T257 L258 V265Y8-F10 HydrophobicContact CD1-CZ 4.2Å; Y8-F10 HydrophobicContact CG-CZ 4.32Å; F10-F24 CarbonylContact O-C 3.59Å; F10-F24 WeakPolarHBondContact O-CA 3.5Å; F10-G25 PolarHBondContact N-O 3.35Å; F10-G25 PolarHBondContact O-N 3.3Å; F10-R185 CarbonylContact C-O 3.58Å; F10-R185 WeakPolarHBondContact CA-O 3.4Å; F10-C186 HydrophobicContact CD1-CB 3.77Å; F10-C186 HydrophobicContact CE1-CB 3.91Å; F10-C186 WeakPolarHBondContact CE1-SG 3.49Å; F10-L242 HydrophobicContact CB-CD1 3.97Å; F10-L242 HydrophobicContact CD1-CD1 3.43Å; F10-L242 VanDerWaalsContact CD1-CD1 3.43Å; F10-L242 HydrophobicContact CD2-CD1 4.4Å; F10-L242 HydrophobicContact CE1-CD1 3.92Å; F10-L242 HydrophobicContact CG-CD1 3.68Å; F10-M254 HydrophobicContact CB-CE 3.67Å; F10-M254 HydrophobicContact CB-SD 3.72Å; F10-M254 HydrophobicContact CD2-SD 4.2Å; F10-M254 HydrophobicContact CG-SD 4.2Å; F10-T257 HydrophobicContact CE1-CG2 4.46Å; F10-T257 HydrophobicContact CE2-CG2 4.18Å; F10-T257 HydrophobicContact CZ-CG2 4.03Å; F10-L258 HydrophobicContact CD2-CD2 3.89Å; F10-L258 HydrophobicContact CE2-CD2 3.82Å; F10-V265 HydrophobicContact CE2-CG1 3.99Å; F10-V265 HydrophobicContact CZ-CG1 4.1Å; F10-V265 HydrophobicContact CZ-CG2 4.21Å
11V97.3Very high90.5Very high0 Ų037.7 Ų37.70%022%0.218CC..EExtended strand (participates in β ladder)trans-137.9141163.162.50000109.6F13 V22 V23 L158 V160 A165 V184 R185V11-F13 HydrophobicContact CB-CE2 4.45Å; V11-F13 HydrophobicContact CG1-CE2 4.09Å; V11-F13 HydrophobicContact CG2-CD2 4.03Å; V11-F13 HydrophobicContact CG2-CE2 3.5Å; V11-F13 VanDerWaalsContact CG2-CE2 3.5Å; V11-F13 HydrophobicContact CG2-CZ 4.04Å; V11-V22 HydrophobicContact CG2-CG1 3.75Å; V11-V23 CarbonylContact C-O 3.51Å; V11-V23 VanDerWaalsContact CA-O 3.31Å; V11-V23 WeakPolarHBondContact CA-O 3.4Å; V11-L158 HydrophobicContact CB-CD2 4.06Å; V11-L158 HydrophobicContact CG1-CD1 3.97Å; V11-L158 HydrophobicContact CG1-CD2 4.05Å; V11-L158 HydrophobicContact CG1-CG 4.49Å; V11-V160 HydrophobicContact CB-CG2 4.14Å; V11-V160 HydrophobicContact CG2-CG1 3.69Å; V11-V160 HydrophobicContact CG2-CG2 4.05Å; V11-A165 HydrophobicContact CG1-CB 4.04Å; V11-V184 CarbonylContact O-C 3.58Å; V11-V184 VanDerWaalsContact O-CA 3.31Å; V11-V184 WeakPolarHBondContact O-CA 3.34Å; V11-R185 HydrophobicContact CG1-CB 3.85Å; V11-R185 PolarHBondContact N-O 2.91Å; V11-R185 PolarHBondContact O-N 3.3Å
12A96.7Very high92.5Very high0 Ų028.3 Ų28.30%017%0.172CC..EExtended strand (participates in β ladder)trans-128.2129.3172.200000109.9A17 V22 V23 G183 V184 I249A12-A17 HydrophobicContact CB-CB 3.96Å; A12-A17 WeakPolarHBondContact O-CB 3.47Å; A12-V22 WeakPolarHBondContact O-CA 3.17Å; A12-V23 PolarHBondContact N-O 3.09Å; A12-V23 PolarHBondContact O-N 2.86Å; A12-G183 WeakPolarHBondContact CA-O 3.25Å; A12-V184 HydrophobicContact CB-CG2 4.11Å; A12-I249 HydrophobicContact CB-CB 4.15Å; A12-I249 HydrophobicContact CB-CD1 3.62Å; A12-I249 HydrophobicContact CB-CG1 4.49Å; A12-I249 HydrophobicContact CB-CG2 4.11Å
13F97.1Very high93.8Very high1 Ų126.5 Ų26.50%0.00416%0.157CC..  trans-102.4152.1176.3-75.3-91.7000111.1V11 R16 A17 V22 V160 E164 A165 V180 G183V11-F13 HydrophobicContact CB-CE2 4.45Å; V11-F13 HydrophobicContact CG1-CE2 4.09Å; V11-F13 HydrophobicContact CG2-CD2 4.03Å; V11-F13 HydrophobicContact CG2-CE2 3.5Å; V11-F13 VanDerWaalsContact CG2-CE2 3.5Å; V11-F13 HydrophobicContact CG2-CZ 4.04Å; F13-R16 CarbonylContact O-C 3.33Å; F13-R16 WeakPolarHBondContact O-CA 3.34Å; F13-R16 WeakPolarHBondContact O-CB 3.14Å; F13-R16 PolarHBondContact O-N 3.33Å; F13-A17 PolarHBondContact O-N 3.25Å; F13-V22 HydrophobicContact CD1-CB 4.41Å; F13-V22 HydrophobicContact CD1-CG1 4.03Å; F13-V22 HydrophobicContact CD1-CG2 3.53Å; F13-V22 HydrophobicContact CE1-CB 4.38Å; F13-V22 HydrophobicContact CE1-CG1 3.75Å; F13-V22 HydrophobicContact CE1-CG2 3.64Å; F13-V22 HydrophobicContact CE2-CG1 4.38Å; F13-V22 HydrophobicContact CG-CG1 4.42Å; F13-V22 HydrophobicContact CG-CG2 4.42Å; F13-V22 HydrophobicContact CZ-CG1 3.92Å; F13-V160 HydrophobicContact CZ-CG1 4.31Å; F13-E164 VanDerWaalsContact CZ-C 3.46Å; F13-A165 HydrophobicContact CE2-CB 3.7Å; F13-A165 HydrophobicContact CZ-CB 3.75Å; F13-V180 HydrophobicContact CE2-CG1 4.45Å; F13-G183 PolarHBondContact N-O 2.91Å
14P94.9Very high94.6Very high24 Ų2424 Ų2416%0.15614%0.136CC..THydrogen-bonded Turntrans-55.6146.2168-24.735.9000111.8R16 G20 L21 Q284P14-R16 VanDerWaalsContact C-N 3.32Å; P14-G20 VanDerWaalsContact CG-C 3.46Å; P14-L21 WeakPolarHBondContact CD-O 3.46Å; P14-L21 WeakPolarHBondContact CG-O 3.49Å; P14-Q284 HydrophobicContact CG-CG 4.47Å
15P92.8Very high94.9Very high119 Ų11923.9 Ų23.977%0.77313%0.134SC*.THydrogen-bonded Turncis-84.220.736-36.9000113.8A17P15-A17 VanDerWaalsContact C-N 3.33Å; P15-A17 CarbonylContact C-O 3.49Å
16R93.6Very high95.2Very high60 Ų6023.9 Ų23.923%0.22613%0.134CC..THydrogen-bonded Turntrans-69.8-34.1177.4-69.4-67.3-64.5128.76111.6F13 P14 V184 L242 Q245 E247 S248 I249F13-R16 CarbonylContact O-C 3.33Å; F13-R16 WeakPolarHBondContact O-CA 3.34Å; F13-R16 WeakPolarHBondContact O-CB 3.14Å; F13-R16 PolarHBondContact O-N 3.33Å; P14-R16 VanDerWaalsContact C-N 3.32Å; R16-V184 HydrophobicContact CB-CG2 4.06Å; R16-V184 HydrophobicContact CG-CG2 4.46Å; R16-L242 PolarHBondContact NH2-O 3.06Å; R16-Q245 PolarHBondContact NH1-O 3.31Å; R16-Q245 PolarHBondContact NH2-O 3.41Å; R16-E247 PolarHBondContact NH1-O 2.64Å; R16-S248 CarbonylContact O-C 3.56Å; R16-S248 VanDerWaalsContact O-CA 3.32Å; R16-S248 WeakPolarHBondContact O-CA 3.45Å; R16-I249 PolarHBondContact O-N 3.02Å
17A94.6Very high95.5Very high1 Ų122.3 Ų22.31%0.00812%0.124CC..BIsolated β-bridgetrans-89.3142.9163.100000111.2A12 F13 P15 L21 V23 I249A12-A17 HydrophobicContact CB-CB 3.96Å; A12-A17 WeakPolarHBondContact O-CB 3.47Å; F13-A17 PolarHBondContact O-N 3.25Å; P15-A17 VanDerWaalsContact C-N 3.33Å; P15-A17 CarbonylContact C-O 3.49Å; A17-L21 WeakPolarHBondContact CB-O 3.17Å; A17-V23 HydrophobicContact CB-CG2 4.06Å; A17-I249 WeakPolarHBondContact CA-O 3.5Å
18K92.8Very high95.8Very high70 Ų7022.2 Ų22.230%0.30412%0.124SC..G310 helixtrans-71.5152.4-172.1-158.8-172.3165.7-117.90111.7G20 L21 S248 I249 T250K18-G20 VanDerWaalsContact C-N 3.3Å; K18-G20 PolarHBondContact O-N 3.04Å; K18-G20 VanDerWaalsContact O-N 3.13Å; K18-L21 VanDerWaalsContact O-CB 3.29Å; K18-L21 WeakPolarHBondContact O-CB 3.5Å; K18-L21 WeakPolarHBondContact O-CG 3.29Å; K18-L21 PolarHBondContact O-N 2.86Å; K18-L21 VanDerWaalsContact O-N 3.08Å; K18-S248 WeakPolarHBondContact CG-OG 3.24Å; K18-I249 PolarHBondContact N-O 3.17Å; K18-T250 HydrophobicContact CB-CG2 4.11Å; K18-T250 HydrophobicContact CD-CG2 3.65Å; K18-T250 HydrophobicContact CG-CG2 4.49Å
19D91.4Very high95.9Very high110 Ų11021.3 Ų21.359%0.58812%0.12SC*.G310 helixtrans57.129.4165.3-54.6-37.4000116.5L21D19-L21 HydrophobicContact CB-CD1 4.37Å; D19-L21 HydrophobicContact CB-CG 4.31Å; D19-L21 PolarHBondContact O-N 3.24Å
20G93.8Very high95.9Very high27 Ų2721.3 Ų21.328%0.27812%0.12SC..G310 helixtrans7023.3-179.800000113.1P14 K18 Q284P14-G20 VanDerWaalsContact CG-C 3.46Å; K18-G20 VanDerWaalsContact C-N 3.3Å; K18-G20 PolarHBondContact O-N 3.04Å; K18-G20 VanDerWaalsContact O-N 3.13Å; G20-Q284 WeakPolarHBondContact O-CB 3.45Å; G20-Q284 WeakPolarHBondContact O-CG 3.33Å; G20-Q284 PolarHBondContact O-N 3.15Å
21L96.7Very high95.9Very high30 Ų3022.3 Ų22.316%0.15713%0.127CC..EExtended strand (participates in β ladder)trans-98.2135.7178.4-53.7175.6000110.1P14 A17 K18 D19 V23 V281 P283 L387P14-L21 WeakPolarHBondContact CD-O 3.46Å; P14-L21 WeakPolarHBondContact CG-O 3.49Å; A17-L21 WeakPolarHBondContact CB-O 3.17Å; K18-L21 VanDerWaalsContact O-CB 3.29Å; K18-L21 WeakPolarHBondContact O-CB 3.5Å; K18-L21 WeakPolarHBondContact O-CG 3.29Å; K18-L21 PolarHBondContact O-N 2.86Å; K18-L21 VanDerWaalsContact O-N 3.08Å; D19-L21 HydrophobicContact CB-CD1 4.37Å; D19-L21 HydrophobicContact CB-CG 4.31Å; D19-L21 PolarHBondContact O-N 3.24Å; L21-V23 HydrophobicContact CB-CG2 4.46Å; L21-V281 HydrophobicContact CB-CG1 4Å; L21-V281 HydrophobicContact CD1-CG1 3.8Å; L21-V281 HydrophobicContact CD2-CG1 3.96Å; L21-V281 HydrophobicContact CG-CG1 4.13Å; L21-P283 HydrophobicContact CD2-CB 3.83Å; L21-P283 HydrophobicContact CD2-CG 3.85Å; L21-L387 HydrophobicContact CD1-CD1 4.26Å; L21-L387 HydrophobicContact CD2-CD1 4.49Å
22V98.4Very high95.7Very high0 Ų026.3 Ų26.30%014%0.142CC..EExtended strand (participates in β ladder)trans-86.5129161.2-1780000107.7V11 A12 F13 V160 R162 V281 L282V11-V22 HydrophobicContact CG2-CG1 3.75Å; A12-V22 WeakPolarHBondContact O-CA 3.17Å; F13-V22 HydrophobicContact CD1-CB 4.41Å; F13-V22 HydrophobicContact CD1-CG1 4.03Å; F13-V22 HydrophobicContact CD1-CG2 3.53Å; F13-V22 HydrophobicContact CE1-CB 4.38Å; F13-V22 HydrophobicContact CE1-CG1 3.75Å; F13-V22 HydrophobicContact CE1-CG2 3.64Å; F13-V22 HydrophobicContact CE2-CG1 4.38Å; F13-V22 HydrophobicContact CG-CG1 4.42Å; F13-V22 HydrophobicContact CG-CG2 4.42Å; F13-V22 HydrophobicContact CZ-CG1 3.92Å; V22-V160 HydrophobicContact CG1-CG1 3.87Å; V22-R162 WeakPolarHBondContact CG2-O 3.22Å; V22-V281 WeakPolarHBondContact O-CA 3.47Å; V22-L282 HydrophobicContact CB-CB 4.2Å; V22-L282 PolarHBondContact N-O 2.57Å; V22-L282 PolarHBondContact O-N 3.39Å
23V98.1Very high95.6Very high1 Ų130.6 Ų30.61%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-115.8115.8-178.2-175.60000109.2V11 A12 A17 L21 M254 V279 S280V11-V23 CarbonylContact C-O 3.51Å; V11-V23 VanDerWaalsContact CA-O 3.31Å; V11-V23 WeakPolarHBondContact CA-O 3.4Å; A12-V23 PolarHBondContact N-O 3.09Å; A12-V23 PolarHBondContact O-N 2.86Å; A17-V23 HydrophobicContact CB-CG2 4.06Å; L21-V23 HydrophobicContact CB-CG2 4.46Å; V23-M254 HydrophobicContact CB-CE 4.5Å; V23-M254 HydrophobicContact CG1-CB 3.73Å; V23-M254 HydrophobicContact CG1-CE 3.93Å; V23-M254 HydrophobicContact CG1-CG 4.01Å; V23-V279 HydrophobicContact CG1-CG1 4.3Å; V23-S280 WeakPolarHBondContact CA-O 3.04Å
24F98.5Very high95.5Very high4 Ų430.7 Ų30.72%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-106.6143.3176.5165.3-95.2000110F10 K26 C89 A91 L158 V160 V279 S280F10-F24 CarbonylContact O-C 3.59Å; F10-F24 WeakPolarHBondContact O-CA 3.5Å; F24-K26 HydrophobicContact CZ-CB 4.33Å; F24-C89 HydrophobicContact CD1-CB 3.84Å; F24-C89 HydrophobicContact CD2-CB 4.41Å; F24-C89 HydrophobicContact CE1-CB 3.96Å; F24-C89 HydrophobicContact CG-CB 4.05Å; F24-C89 HydrophobicContact CZ-CB 4.26Å; F24-A91 HydrophobicContact CE2-CB 3.9Å; F24-A91 HydrophobicContact CZ-CB 3.61Å; F24-L158 HydrophobicContact CD2-CD2 4.12Å; F24-L158 HydrophobicContact CE2-CD2 4.09Å; F24-L158 HydrophobicContact CE2-CG 4.29Å; F24-V160 HydrophobicContact CD2-CB 4.37Å; F24-V160 HydrophobicContact CD2-CG2 3.74Å; F24-V160 HydrophobicContact CE2-CG2 4.28Å; F24-V279 CarbonylContact O-C 3.44Å; F24-V279 VanDerWaalsContact O-CA 3.26Å; F24-V279 WeakPolarHBondContact O-CA 3.33Å; F24-V279 WeakPolarHBondContact O-CG1 3.2Å; F24-S280 PolarHBondContact N-O 3.19Å; F24-S280 PolarHBondContact O-N 2.99Å
25G98.1Very high95.6Very high0 Ų029.8 Ų29.80%016%0.159CC..EExtended strand (participates in β ladder)trans-149.8143.7175.800000112.5C9 F10 G278C9-G25 CarbonylContact C-O 3.48Å; C9-G25 WeakPolarHBondContact CA-O 3.27Å; F10-G25 PolarHBondContact N-O 3.35Å; F10-G25 PolarHBondContact O-N 3.3Å; G25-G278 CarbonylContact C-O 3.49Å; G25-G278 VanDerWaalsContact CA-O 3.32Å; G25-G278 WeakPolarHBondContact CA-O 3.44Å
26K97.6Very high95.8Very high0 Ų024.1 Ų24.10%012%0.122CC..EExtended strand (participates in β ladder)trans-141.5140.3175.6168.1167.7156.1163.60112.2Y8 C9 F24 E80 M81 A91 N92 S277 G278Y8-K26 WeakPolarHBondContact O-CA 3.21Å; C9-K26 WeakPolarHBondContact SG-CD 3.43Å; C9-K26 VanDerWaalsContact SG-CG 3.55Å; F24-K26 HydrophobicContact CZ-CB 4.33Å; K26-E80 WeakPolarHBondContact CE-O 3.12Å; K26-E80 VanDerWaalsContact NZ-C 3.3Å; K26-E80 PolarHBondContact NZ-O 2.75Å; K26-E80 IonicContact NZ-OE2 2.92Å; K26-E80 PolarHBondContact NZ-OE2 2.89Å; K26-M81 HydrophobicContact CB-CB 4.5Å; K26-M81 HydrophobicContact CB-SD 3.82Å; K26-M81 HydrophobicContact CD-CB 3.72Å; K26-M81 HydrophobicContact CD-CE 4.35Å; K26-M81 HydrophobicContact CD-CG 4.5Å; K26-M81 HydrophobicContact CD-SD 4.2Å; K26-M81 HydrophobicContact CG-CB 4.34Å; K26-M81 HydrophobicContact CG-CE 4.01Å; K26-M81 HydrophobicContact CG-SD 3.84Å; K26-A91 HydrophobicContact CB-CB 4.18Å; K26-A91 HydrophobicContact CD-CB 3.35Å; K26-A91 HydrophobicContact CG-CB 4.25Å; K26-N92 PolarHBondContact NZ-O 3.28Å; K26-S277 CarbonylContact O-C 3.08Å; K26-S277 VanDerWaalsContact O-CA 3.23Å; K26-S277 WeakPolarHBondContact O-CA 3.12Å; K26-G278 PolarHBondContact N-O 3.4Å; K26-G278 PolarHBondContact O-N 2.87Å
27N96.9Very high96.1Very high1 Ų121.9 Ų21.91%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-100.3140157.6-84.2-10.8000110.3S7 Y8 L258 V265 T274 S277S7-N27 WeakPolarHBondContact CB-O 3.49Å; Y8-N27 PolarHBondContact O-N 3.42Å; N27-L258 HydrophobicContact CB-CD2 4.41Å; N27-L258 PolarHBondContact ND2-O 3.4Å; N27-L258 WeakPolarHBondContact OD1-CB 3.29Å; N27-L258 PolarHBondContact OD1-O 2.84Å; N27-V265 PolarHBondContact ND2-O 3.34Å; N27-T274 HydrophobicContact CB-CG2 3.73Å; N27-S277 VanDerWaalsContact OD1-CB 3.27Å; N27-S277 WeakPolarHBondContact OD1-CB 3.41Å; N27-S277 PolarHBondContact OD1-OG 3.06Å
28S97Very high96.3Very high0 Ų021.9 Ų21.90%011%0.114CC..EExtended strand (participates in β ladder)trans-111.6104.7170.3171.60000108.9Q36 E80 T274 T275 A276S28-Q36 VanDerWaalsContact CB-NE2 3.26Å; S28-Q36 PolarHBondContact OG-NE2 2.6Å; S28-Q36 VanDerWaalsContact OG-NE2 3.1Å; S28-Q36 PolarHBondContact OG-OE1 2.86Å; S28-E80 VanDerWaalsContact OG-CG 3.26Å; S28-E80 WeakPolarHBondContact OG-CG 3.37Å; S28-T274 CarbonylContact O-C 3.54Å; S28-T274 WeakPolarHBondContact O-CA 3.28Å; S28-T275 PolarHBondContact O-N 2.87Å; S28-T275 PolarHBondContact O-OG1 3.06Å; S28-A276 PolarHBondContact N-O 3.36Å
29A95.9Very high96.5Very high0 Ų019 Ų190%010%0.103CC..EExtended strand (participates in β ladder)trans-86.5128.8171.700000109.7P5 P6 S7 I267 L273P5-A29 HydrophobicContact CB-CB 4.44Å; P5-A29 WeakPolarHBondContact CB-O 3.35Å; P6-A29 WeakPolarHBondContact O-CB 3.34Å; S7-A29 WeakPolarHBondContact OG-CB 3.48Å; S7-A29 PolarHBondContact OG-N 3.29Å; A29-I267 HydrophobicContact CB-CB 4.17Å; A29-I267 HydrophobicContact CB-CG1 3.98Å; A29-L273 CarbonylContact C-O 3.43Å; A29-L273 VanDerWaalsContact CA-O 3.3Å; A29-L273 WeakPolarHBondContact CA-O 3.27Å
30R96.2Very high96.9Very high0 Ų015.9 Ų15.90%08%0.083CC..EExtended strand (participates in β ladder)trans-145.6167.6-177.8-61.5-15863.7102.25.8110.4R32 E34 P73 E80 Y143 F272 L273 T275R30-R32 PolarHBondContact O-N 2.74Å; R30-E34 HydrophobicContact CB-CB 4.41Å; R30-E34 IonicContact CZ-OE2 3.26Å; R30-E34 IonicContact NE-OE2 2.97Å; R30-E34 PolarHBondContact NE-OE2 2.87Å; R30-E34 IonicContact NH2-OE1 3.94Å; R30-E34 IonicContact NH2-OE2 2.87Å; R30-E34 PolarHBondContact NH2-OE2 3.12Å; R30-P73 VanDerWaalsContact CD-CG 3.5Å; R30-P73 VanDerWaalsContact CZ-CG 3.44Å; R30-P73 VanDerWaalsContact NE-CG 3.3Å; R30-E80 IonicContact CZ-OE1 2.77Å; R30-E80 IonicContact NE-OE1 2.69Å; R30-E80 IonicContact NH1-OE1 3.26Å; R30-E80 PolarHBondContact NH1-OE1 3.45Å; R30-Y143 PolarHBondContact NH2-O 3.24Å; R30-F272 WeakPolarHBondContact O-CA 3.38Å; R30-L273 PolarHBondContact N-O 3.4Å; R30-L273 PolarHBondContact O-N 3.24Å; R30-T275 HydrophobicContact CB-CG2 3.89Å
31P95.4Very high97.1Very high21 Ų2117.6 Ų17.614%0.1368%0.083CC..EExtended strand (participates in β ladder)trans-47.1139170.1-29.233.9000111.1D33 E34 F144 F272P31-D33 PolarHBondContact O-N 3.15Å; P31-E34 HydrophobicContact CB-CG 4.12Å; P31-E34 WeakPolarHBondContact CD-OE2 3.24Å; P31-E34 HydrophobicContact CG-CG 4.34Å; P31-E34 PolarHBondContact O-N 3.47Å; P31-F144 VanDerWaalsContact CD-CD1 3.43Å; P31-F144 HydrophobicContact CG-CB 4.22Å; P31-F144 HydrophobicContact CG-CD1 3.43Å; P31-F144 VanDerWaalsContact CG-CD1 3.43Å; P31-F144 HydrophobicContact CG-CD2 4.04Å; P31-F144 HydrophobicContact CG-CE1 3.72Å; P31-F144 HydrophobicContact CG-CE2 4.32Å; P31-F144 HydrophobicContact CG-CG 3.64Å; P31-F144 HydrophobicContact CG-CZ 4.18Å; P31-F272 HydrophobicContact CG-CE1 4.39Å
32R94Very high97.1Very high84 Ų8419.7 Ų19.732%0.31710%0.1SC..THydrogen-bonded Turntrans-56.9-27-168.6-67.1-169.1156.4-85.75.8115R30 D268 S269 E270 F271 L273R30-R32 PolarHBondContact O-N 2.74Å; R32-D268 IonicContact CZ-OD1 3.22Å; R32-D268 IonicContact NH1-OD1 2.69Å; R32-D268 PolarHBondContact NH1-OD1 2.92Å; R32-D268 IonicContact NH2-OD1 3Å; R32-D268 PolarHBondContact NH2-OD1 3.18Å; R32-S269 PolarHBondContact NE-O 2.92Å; R32-S269 PolarHBondContact NH2-O 3.45Å; R32-E270 WeakPolarHBondContact CD-O 3.41Å; R32-E270 PolarHBondContact NE-O 3.48Å; R32-F271 PolarHBondContact N-O 3.1Å; R32-L273 HydrophobicContact CG-CB 4.03Å
33D92.9Very high97.1Very high90 Ų9021.4 Ų21.448%0.48111%0.114SC..THydrogen-bonded Turntrans-98.2-1.7-177.265.4-15.7000113.2P31 V35 K340P31-D33 PolarHBondContact O-N 3.15Å; D33-V35 PolarHBondContact O-N 3.43Å; D33-K340 IonicContact OD1-NZ 3.27Å; D33-K340 PolarHBondContact OD1-NZ 3.13Å; D33-K340 VanDerWaalsContact OD1-NZ 3.11Å; D33-K340 WeakPolarHBondContact OD2-CE 3.03Å; D33-K340 IonicContact OD2-NZ 2.83Å; D33-K340 PolarHBondContact OD2-NZ 3.11Å
34E95.7Very high97.1Very high2 Ų223 Ų231%0.00913%0.128CC..  trans-79.4107171.4-78.2-167.115600110.8R30 P31 W75 F144 E145 T275R30-E34 HydrophobicContact CB-CB 4.41Å; R30-E34 IonicContact CZ-OE2 3.26Å; R30-E34 IonicContact NE-OE2 2.97Å; R30-E34 PolarHBondContact NE-OE2 2.87Å; R30-E34 IonicContact NH2-OE1 3.94Å; R30-E34 IonicContact NH2-OE2 2.87Å; R30-E34 PolarHBondContact NH2-OE2 3.12Å; P31-E34 HydrophobicContact CB-CG 4.12Å; P31-E34 WeakPolarHBondContact CD-OE2 3.24Å; P31-E34 HydrophobicContact CG-CG 4.34Å; P31-E34 PolarHBondContact O-N 3.47Å; E34-W75 PolarHBondContact OE1-NE1 3.43Å; E34-F144 VanDerWaalsContact OE1-CA 3.31Å; E34-F144 WeakPolarHBondContact OE1-CA 3.46Å; E34-E145 PolarHBondContact OE1-N 3.13Å; E34-T275 WeakPolarHBondContact O-CG2 3.43Å
35V97.5Very high97.1Very high5 Ų528.6 Ų28.63%0.0316%0.158CC..  trans-69.1132.5174.4179.10000109.6D33 P73 A74 R343 R344 Y348D33-V35 PolarHBondContact O-N 3.43Å; V35-P73 WeakPolarHBondContact O-CA 3.39Å; V35-A74 HydrophobicContact CB-CB 4.36Å; V35-A74 HydrophobicContact CG1-CB 4.48Å; V35-A74 WeakPolarHBondContact O-CB 3.25Å; V35-A74 PolarHBondContact O-N 3.39Å; V35-R343 HydrophobicContact CB-CB 4.16Å; V35-R343 HydrophobicContact CG2-CB 4.25Å; V35-R344 HydrophobicContact CG2-CB 4.34Å; V35-R344 HydrophobicContact CG2-CG 3.58Å; V35-Y348 HydrophobicContact CB-CD2 4.49Å; V35-Y348 HydrophobicContact CB-CE2 4.44Å; V35-Y348 HydrophobicContact CG1-CD2 3.85Å; V35-Y348 HydrophobicContact CG1-CE2 4.28Å; V35-Y348 HydrophobicContact CG1-CG 4.32Å; V35-Y348 HydrophobicContact CG2-CD2 4.23Å; V35-Y348 HydrophobicContact CG2-CE1 4.43Å; V35-Y348 HydrophobicContact CG2-CE2 4.01Å
36Q97.7Very high97.1Very high1 Ų131.5 Ų31.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-103.2140.4164-73.9-157.2106.700111.1S28 R72 P73 T275 A276 H345S28-Q36 VanDerWaalsContact CB-NE2 3.26Å; S28-Q36 PolarHBondContact OG-NE2 2.6Å; S28-Q36 VanDerWaalsContact OG-NE2 3.1Å; S28-Q36 PolarHBondContact OG-OE1 2.86Å; Q36-R72 CarbonylContact C-O 3.59Å; Q36-R72 WeakPolarHBondContact CA-O 3.44Å; Q36-P73 HydrophobicContact CG-CG 4.37Å; Q36-T275 WeakPolarHBondContact CG-OG1 3.23Å; Q36-T275 PolarHBondContact NE2-OG1 3.29Å; Q36-A276 HydrophobicContact CB-CB 4.06Å; Q36-A276 VanDerWaalsContact NE2-N 3.16Å; Q36-H345 PolarHBondContact O-NE2 2.63Å; Q36-H345 VanDerWaalsContact O-NE2 3.16Å
37E98.1Very high97.2Very high13 Ų1338.8 Ų38.86%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-114.7157.1177.654.7-178.8-174.200110.6V39 S71 R72 A74 T320 S322E37-V39 HydrophobicContact CB-CG2 4.23Å; E37-V39 HydrophobicContact CG-CG2 3.79Å; E37-S71 VanDerWaalsContact O-CA 3.31Å; E37-S71 WeakPolarHBondContact O-CA 3.23Å; E37-R72 HydrophobicContact CG-CG 3.63Å; E37-R72 WeakPolarHBondContact CG-O 3.39Å; E37-R72 PolarHBondContact N-O 2.76Å; E37-R72 PolarHBondContact O-N 3.44Å; E37-R72 IonicContact OE1-CZ 3.8Å; E37-R72 IonicContact OE1-NE 3.44Å; E37-R72 PolarHBondContact OE1-NE 3.01Å; E37-R72 IonicContact OE1-NH2 3.83Å; E37-R72 PolarHBondContact OE1-NH2 3.03Å; E37-A74 HydrophobicContact CG-CB 4.32Å; E37-T320 VanDerWaalsContact CA-O 3.31Å; E37-T320 WeakPolarHBondContact CA-O 3.46Å; E37-T320 WeakPolarHBondContact CB-O 3.2Å; E37-S322 VanDerWaalsContact OE2-CB 3.3Å; E37-S322 WeakPolarHBondContact OE2-CB 3.39Å; E37-S322 PolarHBondContact OE2-N 2.94Å
38V98.7Very high97.2Very high1 Ų143.7 Ų43.71%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-115.1121.8174-1800000108.5M69 I70 F294 G296 T320 F402V38-M69 HydrophobicContact CG1-CE 3.29Å; V38-M69 HydrophobicContact CG1-SD 3.84Å; V38-I70 VanDerWaalsContact CA-O 3.29Å; V38-I70 WeakPolarHBondContact CA-O 3.49Å; V38-F294 HydrophobicContact CG1-CB 4.12Å; V38-F294 HydrophobicContact CG1-CD1 4.38Å; V38-F294 HydrophobicContact CG1-CD2 4.27Å; V38-F294 HydrophobicContact CG1-CG 4Å; V38-F294 HydrophobicContact CG2-CB 3.91Å; V38-F294 HydrophobicContact CG2-CG 4.41Å; V38-G296 VanDerWaalsContact CG2-CA 3.5Å; V38-T320 PolarHBondContact N-O 2.95Å; V38-T320 VanDerWaalsContact N-O 3.13Å; V38-T320 PolarHBondContact O-OG1 3.08Å; V38-F402 HydrophobicContact CB-CE1 4.4Å; V38-F402 HydrophobicContact CB-CZ 4.03Å; V38-F402 HydrophobicContact CG1-CE1 3.99Å; V38-F402 HydrophobicContact CG1-CE2 4.45Å; V38-F402 HydrophobicContact CG1-CZ 3.66Å
39V98.4Very high97.1Very high9 Ų952.7 Ų52.76%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-135.3132.7-168.1-164.10000110.4E37 F41 I70 R72 Q321E37-V39 HydrophobicContact CB-CG2 4.23Å; E37-V39 HydrophobicContact CG-CG2 3.79Å; V39-F41 HydrophobicContact CB-CE2 3.77Å; V39-F41 HydrophobicContact CB-CZ 4.24Å; V39-F41 HydrophobicContact CG1-CD2 4.16Å; V39-F41 HydrophobicContact CG1-CE1 4.29Å; V39-F41 HydrophobicContact CG1-CE2 3.48Å; V39-F41 VanDerWaalsContact CG1-CE2 3.48Å; V39-F41 HydrophobicContact CG1-CZ 3.56Å; V39-I70 HydrophobicContact CB-CG1 4.41Å; V39-I70 PolarHBondContact N-O 3.08Å; V39-I70 PolarHBondContact O-N 3.44Å; V39-R72 HydrophobicContact CG2-CG 4.42Å; V39-Q321 HydrophobicContact CG2-CG 4.25Å
40Y98.5Very high97.2Very high44 Ų4454.1 Ų54.117%0.17329%0.289CS..EExtended strand (participates in β ladder)trans-97.9134.6170.2172.5-99.2000109.8A67 I68 F308 F310 V314 L316Y40-A67 HydrophobicContact CE2-CB 4.13Å; Y40-I68 WeakPolarHBondContact CA-O 3.35Å; Y40-I68 WeakPolarHBondContact CD2-O 3.41Å; Y40-F308 HydrophobicContact CD2-CE2 4.28Å; Y40-F308 AromaticContact CD2-CZ 3.68Å; Y40-F308 HydrophobicContact CD2-CZ 3.68Å; Y40-F308 HydrophobicContact CE2-CZ 4.02Å; Y40-F310 HydrophobicContact CD2-CE1 4.24Å; Y40-F310 AromaticContact CE2-CD1 3.99Å; Y40-F310 HydrophobicContact CE2-CD1 3.99Å; Y40-F310 AromaticContact CE2-CE1 3.92Å; Y40-F310 HydrophobicContact CE2-CE1 3.92Å; Y40-V314 HydrophobicContact CD1-CG1 4.13Å; Y40-V314 HydrophobicContact CD2-CG1 4.41Å; Y40-V314 HydrophobicContact CE1-CB 4.27Å; Y40-V314 HydrophobicContact CE1-CG1 4.33Å; Y40-V314 HydrophobicContact CG-CG1 4.16Å; Y40-L316 HydrophobicContact CD1-CD2 3.71Å
41F98.3Very high97.3Very high63 Ų6360 Ų6028%0.27632%0.315SS..EExtended strand (participates in β ladder)trans-121.4129.6169.1-61.3-90.3000108.4V39 A67 I68 I70V39-F41 HydrophobicContact CB-CE2 3.77Å; V39-F41 HydrophobicContact CB-CZ 4.24Å; V39-F41 HydrophobicContact CG1-CD2 4.16Å; V39-F41 HydrophobicContact CG1-CE1 4.29Å; V39-F41 HydrophobicContact CG1-CE2 3.48Å; V39-F41 VanDerWaalsContact CG1-CE2 3.48Å; V39-F41 HydrophobicContact CG1-CZ 3.56Å; F41-A67 CarbonylContact O-C 3.58Å; F41-A67 VanDerWaalsContact O-CA 3.23Å; F41-A67 WeakPolarHBondContact O-CA 3.34Å; F41-I68 HydrophobicContact CB-CD1 4.4Å; F41-I68 HydrophobicContact CB-CG1 3.81Å; F41-I68 HydrophobicContact CD2-CD1 3.94Å; F41-I68 HydrophobicContact CD2-CG1 3.97Å; F41-I68 HydrophobicContact CG-CD1 4.48Å; F41-I68 HydrophobicContact CG-CG1 4.32Å; F41-I68 PolarHBondContact N-O 3.09Å; F41-I68 PolarHBondContact O-N 3.39Å; F41-I70 HydrophobicContact CD2-CD1 4.32Å; F41-I70 HydrophobicContact CD2-CG1 4.37Å; F41-I70 HydrophobicContact CE2-CD1 3.75Å; F41-I70 HydrophobicContact CE2-CG1 4.04Å
42S98Very high97.4Very high74 Ų7459.7 Ų59.752%0.51731%0.313SS..  trans-74.6157.7177.461.70000111.3
43A98.2Very high97.6Very high37 Ų3760.5 Ų60.531%0.30632%0.32SS..  trans-55.9145.7167.500000110.1T65 A67A43-T65 VanDerWaalsContact CA-O 3.24Å; A43-T65 WeakPolarHBondContact CA-O 3.4Å; A43-T65 WeakPolarHBondContact CB-O 3.33Å; A43-A67 HydrophobicContact CB-CB 4.25Å
44A98.1Very high97.9Very high35 Ų3556.4 Ų56.429%0.28930%0.298SS..EExtended strand (participates in β ladder)trans-148.6143.5-176.500000111R64 T65A44-R64 WeakPolarHBondContact O-CA 3.05Å; A44-T65 PolarHBondContact N-O 3.25Å; A44-T65 PolarHBondContact O-N 3.19Å; A44-T65 PolarHBondContact O-OG1 3.17Å
45D98.6Very high98Very high121 Ų12157 Ų5765%0.64730%0.302SS*.EExtended strand (participates in β ladder)trans-94.2140.1164.6-58.1-53.9000108.4P63 R64D45-P63 CarbonylContact C-O 3.55Å; D45-P63 WeakPolarHBondContact CA-O 3.44Å; D45-R64 IonicContact OD1-NH1 2.86Å; D45-R64 PolarHBondContact OD1-NH1 2.94Å; D45-R64 VanDerWaalsContact OD1-NH1 3.15Å; D45-R64 IonicContact OD2-NH1 2.78Å
46H98.4Very high98Very high61 Ų6157.7 Ų57.728%0.28231%0.305SS..  trans-118.6149.8-176.3-60.2-86.9000111Q61 V62 P63 T65H46-Q61 HydrophobicContact CB-CG 3.84Å; H46-V62 PolarHBondContact CD2-O 3.18Å; H46-P63 PolarHBondContact N-O 3.4Å; H46-T65 WeakPolarHBondContact NE2-CG2 3.48Å; H46-T65 PolarHBondContact NE2-OG1 2.92Å
47E97.9Very high98Very high152 Ų15259.8 Ų59.871%0.7132%0.315SS*.  trans-63.4145.2177.5-67.2-62.2151.600111.4S50E47-S50 WeakPolarHBondContact O-CB 3.45Å; E47-S50 PolarHBondContact O-N 3.29Å; E47-S50 PolarHBondContact O-OG 3.01Å
48P96.8Very high98Very high105 Ų10562.5 Ų62.568%0.68234%0.336SS*.THydrogen-bonded Turntrans-54.3142.2174-24.634000112.2S50P48-S50 PolarHBondContact O-N 3.4Å; P48-S50 VanDerWaalsContact O-N 3.09Å
49E95.6Very high98Very high188 Ų18862.6 Ų62.688%0.87934%0.336SS*.THydrogen-bonded Turntrans61.512.3179.3-49.6179.914100114.6
50S98.1Very high98Very high31 Ų3166 Ų6622%0.21735%0.354CS..  trans-66.7156.3172.161.20000111.6E47 P48 Q61E47-S50 WeakPolarHBondContact O-CB 3.45Å; E47-S50 PolarHBondContact O-N 3.29Å; E47-S50 PolarHBondContact O-OG 3.01Å; P48-S50 PolarHBondContact O-N 3.4Å; P48-S50 VanDerWaalsContact O-N 3.09Å; S50-Q61 WeakPolarHBondContact O-CB 3.33Å; S50-Q61 PolarHBondContact O-N 2.83Å
51K98.5Very high98Very high123 Ų12365.1 Ų65.154%0.53535%0.351SS..EExtended strand (participates in β ladder)trans-113.2150.7176.9-63.4-68.6-169.5177.50109.4I59 D60K51-I59 CarbonylContact C-O 3.45Å; K51-I59 VanDerWaalsContact CA-O 3.27Å; K51-I59 WeakPolarHBondContact CA-O 3.38Å; K51-I59 WeakPolarHBondContact CD-O 3.36Å; K51-D60 WeakPolarHBondContact CD-OD1 3.34Å; K51-D60 WeakPolarHBondContact CE-OD1 3.49Å; K51-D60 IonicContact NZ-OD1 3.61Å; K51-D60 PolarHBondContact NZ-OD1 3.33Å; K51-D60 IonicContact NZ-OD2 4Å; K51-D60 PolarHBondContact NZ-OD2 2.98Å
52V98.5Very high98Very high15 Ų1564 Ų649%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-111.212916859.40000109.1C54 S58 I59 Q61 W77V52-C54 PolarHBondContact O-N 3.38Å; V52-S58 CarbonylContact O-C 3.6Å; V52-S58 WeakPolarHBondContact O-CA 3.32Å; V52-I59 HydrophobicContact CG1-CD1 4.32Å; V52-I59 HydrophobicContact CG1-CG1 3.59Å; V52-I59 PolarHBondContact N-O 3.48Å; V52-I59 PolarHBondContact O-N 3.05Å; V52-Q61 HydrophobicContact CB-CB 4.33Å; V52-Q61 HydrophobicContact CG1-CB 4.45Å; V52-W77 HydrophobicContact CG2-CH2 4.43Å; V52-W77 HydrophobicContact CG2-CZ2 3.6Å
53E97.9Very high98Very high100 Ų10065.2 Ų65.247%0.46736%0.356SS..EExtended strand (participates in β ladder)trans-82.6107.8172.7-171.9-170.3140.400108.3W77 K332E53-W77 PolarHBondContact O-NE1 3.05Å; E53-K332 WeakPolarHBondContact OE1-CE 3.26Å; E53-K332 IonicContact OE1-NZ 3.15Å; E53-K332 PolarHBondContact OE1-NZ 3.39Å; E53-K332 IonicContact OE2-NZ 3.44Å
54C98.4Very high98Very high4 Ų470 Ų703%0.02737%0.366CS..  trans-82-152.2174.2-62.30000110.1V52 I57 W77 L107 D111V52-C54 PolarHBondContact O-N 3.38Å; C54-I57 WeakPolarHBondContact CB-O 3.28Å; C54-I57 PolarHBondContact N-O 3.36Å; C54-W77 VanDerWaalsContact C-CB 3.44Å; C54-W77 HydrophobicContact CB-CD2 4.19Å; C54-W77 HydrophobicContact CB-CE3 3.77Å; C54-W77 HydrophobicContact CB-CZ3 4.16Å; C54-W77 VanDerWaalsContact SG-CZ3 3.58Å; C54-L107 HydrophobicContact CB-CD2 3.95Å; C54-D111 HydrophobicContact CB-CB 4.31Å
55T97.8Very high98.1Very high15 Ų1568.7 Ų68.79%0.09235%0.354CS..SBendtrans-71-46.7-177.1-61.90000111.8W75 L76 W77 L108 D111T55-W75 HydrophobicContact CG2-CE3 4.34Å; T55-W75 HydrophobicContact CG2-CH2 4.22Å; T55-W75 HydrophobicContact CG2-CZ3 3.55Å; T55-L76 HydrophobicContact CG2-CB 3.8Å; T55-W77 PolarHBondContact OG1-N 3.05Å; T55-L108 HydrophobicContact CG2-CD1 3.73Å; T55-D111 WeakPolarHBondContact CB-OD1 3.36Å; T55-D111 WeakPolarHBondContact CB-OD2 3.21Å; T55-D111 PolarHBondContact N-OD1 3.02Å; T55-D111 PolarHBondContact N-OD2 3.08Å; T55-D111 PolarHBondContact OG1-OD1 3.09Å; T55-D111 PolarHBondContact OG1-OD2 2.95Å
56Y97.7Very high98.1Very high20 Ų2065 Ų658%0.07833%0.332CS..SBendtrans-119.2-30.8-177.1-61.1-47.2000114.9W75 E105 L108 N142 F337Y56-W75 HydrophobicContact CE1-CZ3 4.31Å; Y56-W75 WeakPolarHBondContact OH-CH2 3.26Å; Y56-W75 WeakPolarHBondContact OH-CZ3 3.42Å; Y56-E105 HydrophobicContact CD1-CG 4.32Å; Y56-E105 HydrophobicContact CD2-CB 4.39Å; Y56-E105 HydrophobicContact CD2-CG 4.17Å; Y56-E105 HydrophobicContact CG-CB 4.17Å; Y56-E105 HydrophobicContact CG-CG 3.96Å; Y56-L108 HydrophobicContact CD2-CD1 4.13Å; Y56-L108 HydrophobicContact CD2-CD2 4.29Å; Y56-L108 HydrophobicContact CD2-CG 3.91Å; Y56-L108 HydrophobicContact CE2-CD1 3.55Å; Y56-L108 HydrophobicContact CE2-CD2 3.8Å; Y56-L108 HydrophobicContact CE2-CG 3.67Å; Y56-N142 WeakPolarHBondContact OH-CB 3.37Å; Y56-N142 PolarHBondContact OH-O 3.15Å; Y56-F337 HydrophobicContact CE1-CZ 4.21Å
57I98.1Very high98.1Very high44 Ų4462.3 Ų62.323%0.22632%0.32CS..  trans-122.6159.8-177.168.2167.8000110.9C54 I59 L107 H137C54-I57 WeakPolarHBondContact CB-O 3.28Å; C54-I57 PolarHBondContact N-O 3.36Å; I57-I59 HydrophobicContact CD1-CG2 3.82Å; I57-I59 HydrophobicContact CG1-CG2 4.09Å; I57-L107 HydrophobicContact CD1-CD2 4Å; I57-L107 HydrophobicContact CD1-CG 3.98Å; I57-L107 HydrophobicContact CG1-CD2 3.86Å; I57-L107 HydrophobicContact CG1-CG 4.35Å; I57-H137 HydrophobicContact CD1-CB 4.01Å
58S98.3Very high98.1Very high71 Ų7155 Ų5550%0.49729%0.286SS..EExtended strand (participates in β ladder)trans-102.4135.2168.1-62.20000110.4V52V52-S58 CarbonylContact O-C 3.6Å; V52-S58 WeakPolarHBondContact O-CA 3.32Å
59I98.7Very high98.2Very high2 Ų250.2 Ų50.21%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-122.917017967.8165.2000111K51 V52 I57 Q61 L107 L115 L133K51-I59 CarbonylContact C-O 3.45Å; K51-I59 VanDerWaalsContact CA-O 3.27Å; K51-I59 WeakPolarHBondContact CA-O 3.38Å; K51-I59 WeakPolarHBondContact CD-O 3.36Å; V52-I59 HydrophobicContact CG1-CD1 4.32Å; V52-I59 HydrophobicContact CG1-CG1 3.59Å; V52-I59 PolarHBondContact N-O 3.48Å; V52-I59 PolarHBondContact O-N 3.05Å; I57-I59 HydrophobicContact CD1-CG2 3.82Å; I57-I59 HydrophobicContact CG1-CG2 4.09Å; I59-Q61 PolarHBondContact O-N 3.29Å; I59-L107 HydrophobicContact CG2-CD2 4.08Å; I59-L115 HydrophobicContact CD1-CD1 3.74Å; I59-L115 HydrophobicContact CD1-CD2 3.89Å; I59-L115 HydrophobicContact CD1-CG 4.49Å; I59-L133 HydrophobicContact CD1-CD2 3.84Å
60D98.4Very high98.4Very high80 Ų8041.3 Ų41.343%0.42821%0.212SC..EExtended strand (participates in β ladder)trans-62.7132173-75.5-53.1000111.6K51 R119K51-D60 WeakPolarHBondContact CD-OD1 3.34Å; K51-D60 WeakPolarHBondContact CE-OD1 3.49Å; K51-D60 IonicContact NZ-OD1 3.61Å; K51-D60 PolarHBondContact NZ-OD1 3.33Å; K51-D60 IonicContact NZ-OD2 4Å; K51-D60 PolarHBondContact NZ-OD2 2.98Å; D60-R119 PolarHBondContact O-NH2 3.33Å
61Q98.3Very high98.4Very high26 Ų2639.9 Ų39.912%0.12120%0.202CC..PPolyproline II helixtrans-87.2143.5175.4-176.256.9-65.400110.2H46 S50 V52 I59H46-Q61 HydrophobicContact CB-CG 3.84Å; S50-Q61 WeakPolarHBondContact O-CB 3.33Å; S50-Q61 PolarHBondContact O-N 2.83Å; V52-Q61 HydrophobicContact CB-CB 4.33Å; V52-Q61 HydrophobicContact CG1-CB 4.45Å; I59-Q61 PolarHBondContact O-N 3.29Å
62V98.3Very high98.4Very high41 Ų4135.6 Ų35.625%0.24818%0.183CC..PPolyproline II helixtrans-80.4152.3173.5-680000110.6H46 R64 T65 R119H46-V62 PolarHBondContact CD2-O 3.18Å; V62-R64 WeakPolarHBondContact CG2-O 2.86Å; V62-R64 PolarHBondContact O-N 3.08Å; V62-R64 VanDerWaalsContact O-N 3.08Å; V62-T65 HydrophobicContact CG2-CG2 3.86Å; V62-R119 HydrophobicContact CG1-CG 4.34Å; V62-R119 HydrophobicContact CG2-CG 3.83Å
63P98.2Very high98.4Very high99 Ų9934.9 Ų34.964%0.64318%0.179SC*.SBendtrans-59.4-24.3-179.6-26.335.3000114.7D45 H46D45-P63 CarbonylContact C-O 3.55Å; D45-P63 WeakPolarHBondContact CA-O 3.44Å; H46-P63 PolarHBondContact N-O 3.4Å
64R98.4Very high98.4Very high138 Ų13830.4 Ų30.452%0.52116%0.159SC..EExtended strand (participates in β ladder)trans-143.4136.1-179-174.9178.3-177.8104.8-5.1110.8A44 D45 V62A44-R64 WeakPolarHBondContact O-CA 3.05Å; D45-R64 IonicContact OD1-NH1 2.86Å; D45-R64 PolarHBondContact OD1-NH1 2.94Å; D45-R64 VanDerWaalsContact OD1-NH1 3.15Å; D45-R64 IonicContact OD2-NH1 2.78Å; V62-R64 WeakPolarHBondContact CG2-O 2.86Å; V62-R64 PolarHBondContact O-N 3.08Å; V62-R64 VanDerWaalsContact O-N 3.08Å
65T98.8Very high98.3Very high7 Ų730.8 Ų30.84%0.04316%0.16CC..EExtended strand (participates in β ladder)trans-117.8144.3170.954.60000110.8A43 A44 H46 V62 E118A43-T65 VanDerWaalsContact CA-O 3.24Å; A43-T65 WeakPolarHBondContact CA-O 3.4Å; A43-T65 WeakPolarHBondContact CB-O 3.33Å; A44-T65 PolarHBondContact N-O 3.25Å; A44-T65 PolarHBondContact O-N 3.19Å; A44-T65 PolarHBondContact O-OG1 3.17Å; H46-T65 WeakPolarHBondContact NE2-CG2 3.48Å; H46-T65 PolarHBondContact NE2-OG1 2.92Å; V62-T65 HydrophobicContact CG2-CG2 3.86Å; T65-E118 CarbonylContact C-O 3.6Å; T65-E118 VanDerWaalsContact CA-O 3.29Å; T65-E118 WeakPolarHBondContact CA-O 3.3Å; T65-E118 HydrophobicContact CG2-CB 4.02Å
66Y98.8Very high98.3Very high44 Ų4430.1 Ų30.117%0.17316%0.155CC..  trans-77.7157.4174.4-57-47.8000112.3E85 H86 E118 E121Y66-E85 VanDerWaalsContact CA-OE1 3.28Å; Y66-E85 WeakPolarHBondContact CA-OE1 3.28Å; Y66-E85 WeakPolarHBondContact CB-OE1 3.36Å; Y66-H86 AromaticContact CD1-CD2 3.63Å; Y66-H86 AromaticContact CD1-NE2 3.09Å; Y66-H86 WeakPolarHBondContact CD1-NE2 3.41Å; Y66-H86 AromaticContact CD2-CD2 3.75Å; Y66-H86 AromaticContact CE1-CD2 3.93Å; Y66-H86 AromaticContact CE1-NE2 3.23Å; Y66-H86 WeakPolarHBondContact CE1-NE2 3.44Å; Y66-H86 AromaticContact CG-CD2 3.55Å; Y66-H86 AromaticContact CG-NE2 3.56Å; Y66-H86 AromaticContact CZ-NE2 3.77Å; Y66-E118 WeakPolarHBondContact CD2-O 3.33Å; Y66-E118 PolarHBondContact N-O 2.96Å; Y66-E121 HydrophobicContact CE2-CB 4.34Å
67A98.7Very high98.3Very high3 Ų330.9 Ų30.93%0.02516%0.158CC..  trans-68.5136.7170.500000110.1Y40 F41 A43 N84 E85 F310Y40-A67 HydrophobicContact CE2-CB 4.13Å; F41-A67 CarbonylContact O-C 3.58Å; F41-A67 VanDerWaalsContact O-CA 3.23Å; F41-A67 WeakPolarHBondContact O-CA 3.34Å; A43-A67 HydrophobicContact CB-CB 4.25Å; A67-N84 CarbonylContact O-C 3.56Å; A67-N84 VanDerWaalsContact O-CA 3.23Å; A67-N84 WeakPolarHBondContact O-CA 3.43Å; A67-N84 WeakPolarHBondContact O-CB 3.37Å; A67-E85 HydrophobicContact CB-CB 4.18Å; A67-E85 HydrophobicContact CB-CG 4.37Å; A67-E85 PolarHBondContact N-OE1 3.29Å; A67-E85 PolarHBondContact O-N 3.13Å; A67-F310 HydrophobicContact CB-CD1 4.32Å; A67-F310 HydrophobicContact CB-CE1 4.29Å
68I98.8Very high98.4Very high0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-134.7151.6-176.661.3164.9000111.5Y40 F41 I70 A83 N84 R114 L117 E118Y40-I68 WeakPolarHBondContact CA-O 3.35Å; Y40-I68 WeakPolarHBondContact CD2-O 3.41Å; F41-I68 HydrophobicContact CB-CD1 4.4Å; F41-I68 HydrophobicContact CB-CG1 3.81Å; F41-I68 HydrophobicContact CD2-CD1 3.94Å; F41-I68 HydrophobicContact CD2-CG1 3.97Å; F41-I68 HydrophobicContact CG-CD1 4.48Å; F41-I68 HydrophobicContact CG-CG1 4.32Å; F41-I68 PolarHBondContact N-O 3.09Å; F41-I68 PolarHBondContact O-N 3.39Å; I68-I70 HydrophobicContact CB-CG2 4.36Å; I68-I70 HydrophobicContact CD1-CD1 4.49Å; I68-I70 HydrophobicContact CD1-CG2 3.86Å; I68-I70 HydrophobicContact CG1-CG2 4.39Å; I68-A83 WeakPolarHBondContact CA-O 3.46Å; I68-N84 HydrophobicContact CG2-CB 3.84Å; I68-R114 HydrophobicContact CD1-CG 3.89Å; I68-L117 HydrophobicContact CG2-CB 3.72Å; I68-E118 HydrophobicContact CD1-CG 3.76Å; I68-E118 HydrophobicContact CG1-CG 4.35Å; I68-E118 HydrophobicContact CG2-CG 4.08Å
69M98.8Very high98.4Very high4 Ų425.4 Ų25.42%0.0212%0.124CC..EExtended strand (participates in β ladder)trans-127.8116.4170.3-178.664.7155.400107.6V38 G82 A83 F294 F308 F310 F402V38-M69 HydrophobicContact CG1-CE 3.29Å; V38-M69 HydrophobicContact CG1-SD 3.84Å; M69-G82 CarbonylContact O-C 3.58Å; M69-G82 WeakPolarHBondContact O-CA 3.47Å; M69-A83 PolarHBondContact N-O 3.04Å; M69-A83 PolarHBondContact O-N 3.04Å; M69-F294 HydrophobicContact CB-CE2 4.32Å; M69-F294 HydrophobicContact CB-CZ 4.25Å; M69-F294 HydrophobicContact CE-CD2 4.19Å; M69-F294 HydrophobicContact CE-CE2 4.29Å; M69-F294 HydrophobicContact CG-CD2 4.16Å; M69-F294 HydrophobicContact CG-CE2 3.37Å; M69-F294 HydrophobicContact CG-CZ 3.62Å; M69-F308 HydrophobicContact CB-CD1 3.87Å; M69-F308 HydrophobicContact CB-CE1 3.61Å; M69-F308 HydrophobicContact CB-CZ 4.17Å; M69-F308 HydrophobicContact CE-CB 4.32Å; M69-F308 HydrophobicContact CE-CD2 3.9Å; M69-F308 HydrophobicContact CE-CE2 4.42Å; M69-F308 HydrophobicContact CE-CG 4.01Å; M69-F308 HydrophobicContact CG-CD1 3.75Å; M69-F308 HydrophobicContact CG-CE1 3.92Å; M69-F308 HydrophobicContact CG-CG 4.06Å; M69-F308 HydrophobicContact CG-CZ 4.38Å; M69-F308 HydrophobicContact SD-CD2 4.48Å; M69-F310 HydrophobicContact CB-CE1 4.26Å; M69-F310 HydrophobicContact CB-CZ 3.76Å; M69-F402 HydrophobicContact CE-CD1 3.66Å; M69-F402 HydrophobicContact CE-CD2 4.28Å; M69-F402 HydrophobicContact CE-CE1 3.67Å; M69-F402 HydrophobicContact CE-CE2 4.26Å; M69-F402 HydrophobicContact CE-CG 4.01Å; M69-F402 HydrophobicContact CE-CZ 3.99Å
70I98.8Very high98.4Very high0 Ų025.3 Ų25.30%012%0.123CC..EExtended strand (participates in β ladder)trans-127150.1-169.559.5166.7000112.3V38 V39 F41 I68 R72 A79 M81 L117V38-I70 VanDerWaalsContact CA-O 3.29Å; V38-I70 WeakPolarHBondContact CA-O 3.49Å; V39-I70 HydrophobicContact CB-CG1 4.41Å; V39-I70 PolarHBondContact N-O 3.08Å; V39-I70 PolarHBondContact O-N 3.44Å; F41-I70 HydrophobicContact CD2-CD1 4.32Å; F41-I70 HydrophobicContact CD2-CG1 4.37Å; F41-I70 HydrophobicContact CE2-CD1 3.75Å; F41-I70 HydrophobicContact CE2-CG1 4.04Å; I68-I70 HydrophobicContact CB-CG2 4.36Å; I68-I70 HydrophobicContact CD1-CD1 4.49Å; I68-I70 HydrophobicContact CD1-CG2 3.86Å; I68-I70 HydrophobicContact CG1-CG2 4.39Å; I70-R72 HydrophobicContact CD1-CB 4.29Å; I70-R72 HydrophobicContact CD1-CG 4.15Å; I70-A79 HydrophobicContact CB-CB 3.74Å; I70-A79 HydrophobicContact CD1-CB 3.91Å; I70-A79 HydrophobicContact CG1-CB 4.41Å; I70-A79 HydrophobicContact CG2-CB 3.91Å; I70-M81 WeakPolarHBondContact CA-O 3.29Å; I70-L117 HydrophobicContact CG2-CD1 3.83Å
71S98.7Very high98.4Very high1 Ų121.6 Ų21.61%0.00710%0.103CC..EExtended strand (participates in β ladder)trans-105.7119.9162.3171.60000108.6E37 E80 M81 A276E37-S71 VanDerWaalsContact O-CA 3.31Å; E37-S71 WeakPolarHBondContact O-CA 3.23Å; S71-E80 PolarHBondContact O-N 3.44Å; S71-M81 PolarHBondContact N-O 3.1Å; S71-M81 PolarHBondContact O-N 2.95Å; S71-A276 WeakPolarHBondContact OG-CB 3.09Å
72R98.1Very high98.4Very high34 Ų3420.5 Ų20.513%0.12810%0.099CC..EExtended strand (participates in β ladder)trans-136.2147.7-17459.5176.1-106.7170.1-6.3112.3Q36 E37 V39 I70 A74 L76 W77 G78 A79Q36-R72 CarbonylContact C-O 3.59Å; Q36-R72 WeakPolarHBondContact CA-O 3.44Å; E37-R72 HydrophobicContact CG-CG 3.63Å; E37-R72 WeakPolarHBondContact CG-O 3.39Å; E37-R72 PolarHBondContact N-O 2.76Å; E37-R72 PolarHBondContact O-N 3.44Å; E37-R72 IonicContact OE1-CZ 3.8Å; E37-R72 IonicContact OE1-NE 3.44Å; E37-R72 PolarHBondContact OE1-NE 3.01Å; E37-R72 IonicContact OE1-NH2 3.83Å; E37-R72 PolarHBondContact OE1-NH2 3.03Å; V39-R72 HydrophobicContact CG2-CG 4.42Å; I70-R72 HydrophobicContact CD1-CB 4.29Å; I70-R72 HydrophobicContact CD1-CG 4.15Å; R72-A74 PolarHBondContact O-N 2.69Å; R72-L76 PolarHBondContact NE-O 3.14Å; R72-L76 VanDerWaalsContact NE-O 3.16Å; R72-L76 PolarHBondContact NH1-O 3.49Å; R72-L76 PolarHBondContact NH2-O 3.15Å; R72-W77 PolarHBondContact NH1-O 3.47Å; R72-G78 WeakPolarHBondContact CB-O 3.48Å; R72-A79 HydrophobicContact CB-CB 4.35Å
73P98.2Very high98.4Very high0 Ų018.5 Ų18.50%09%0.087CC..EExtended strand (participates in β ladder)trans-58.2132.2163.2-20.633.8000109.5R30 V35 Q36 W75 L76 E80R30-P73 VanDerWaalsContact CD-CG 3.5Å; R30-P73 VanDerWaalsContact CZ-CG 3.44Å; R30-P73 VanDerWaalsContact NE-CG 3.3Å; V35-P73 WeakPolarHBondContact O-CA 3.39Å; Q36-P73 HydrophobicContact CG-CG 4.37Å; P73-W75 PolarHBondContact O-N 2.99Å; P73-L76 HydrophobicContact CB-CD2 3.92Å; P73-L76 HydrophobicContact CB-CG 3.95Å; P73-L76 HydrophobicContact CG-CD2 3.65Å; P73-L76 HydrophobicContact CG-CG 4.03Å; P73-L76 PolarHBondContact O-N 3.32Å; P73-E80 HydrophobicContact CG-CG 4.11Å
74A98Very high98.5Very high6 Ų613.8 Ų13.85%0.056%0.057CC..THydrogen-bonded Turntrans-63-12.9-17000000114.8V35 E37 R72 R343V35-A74 HydrophobicContact CB-CB 4.36Å; V35-A74 HydrophobicContact CG1-CB 4.48Å; V35-A74 WeakPolarHBondContact O-CB 3.25Å; V35-A74 PolarHBondContact O-N 3.39Å; E37-A74 HydrophobicContact CG-CB 4.32Å; R72-A74 PolarHBondContact O-N 2.69Å; A74-R343 HydrophobicContact CB-CB 3.87Å; A74-R343 HydrophobicContact CB-CG 4.34Å; A74-R343 PolarHBondContact O-NH1 3.29Å
75W97.5Very high98.5Very high11 Ų1111 Ų114%0.0425%0.049CC..THydrogen-bonded Turntrans-95-24.5-177.769.6-100.5000114.2E34 T55 Y56 P73 L108 Y143 E145 A331 F337E34-W75 PolarHBondContact OE1-NE1 3.43Å; T55-W75 HydrophobicContact CG2-CE3 4.34Å; T55-W75 HydrophobicContact CG2-CH2 4.22Å; T55-W75 HydrophobicContact CG2-CZ3 3.55Å; Y56-W75 HydrophobicContact CE1-CZ3 4.31Å; Y56-W75 WeakPolarHBondContact OH-CH2 3.26Å; Y56-W75 WeakPolarHBondContact OH-CZ3 3.42Å; P73-W75 PolarHBondContact O-N 2.99Å; W75-L108 HydrophobicContact CH2-CD1 4.06Å; W75-Y143 WeakPolarHBondContact CZ2-O 3.28Å; W75-E145 HydrophobicContact CB-CG 4.45Å; W75-E145 HydrophobicContact CD2-CB 4.2Å; W75-E145 HydrophobicContact CG-CB 3.95Å; W75-E145 HydrophobicContact CG-CG 4.33Å; W75-A331 HydrophobicContact CE3-CB 4.15Å; W75-A331 WeakPolarHBondContact O-CB 3.23Å; W75-F337 HydrophobicContact CD2-CE1 4.26Å; W75-F337 AromaticContact CE3-CE1 3.66Å; W75-F337 HydrophobicContact CE3-CE1 3.66Å; W75-F337 AromaticContact CE3-CZ 3.73Å; W75-F337 HydrophobicContact CE3-CZ 3.73Å; W75-F337 HydrophobicContact CH2-CZ 4.07Å; W75-F337 AromaticContact CZ3-CE1 3.94Å; W75-F337 HydrophobicContact CZ3-CE1 3.94Å; W75-F337 AromaticContact CZ3-CZ 3.49Å; W75-F337 HydrophobicContact CZ3-CZ 3.49Å; W75-F337 VanDerWaalsContact CZ3-CZ 3.49Å
76L97.3Very high98.5Very high1 Ų113.8 Ų13.81%0.0056%0.062CC..SBendtrans-103.7159-172.867.977.7000111.9T55 R72 P73 G78 M110T55-L76 HydrophobicContact CG2-CB 3.8Å; R72-L76 PolarHBondContact NE-O 3.14Å; R72-L76 VanDerWaalsContact NE-O 3.16Å; R72-L76 PolarHBondContact NH1-O 3.49Å; R72-L76 PolarHBondContact NH2-O 3.15Å; P73-L76 HydrophobicContact CB-CD2 3.92Å; P73-L76 HydrophobicContact CB-CG 3.95Å; P73-L76 HydrophobicContact CG-CD2 3.65Å; P73-L76 HydrophobicContact CG-CG 4.03Å; P73-L76 PolarHBondContact O-N 3.32Å; L76-G78 VanDerWaalsContact CD1-N 3.25Å; L76-G78 VanDerWaalsContact CD1-O 3.27Å; L76-G78 WeakPolarHBondContact CD1-O 3.4Å; L76-M110 HydrophobicContact CD1-CB 4.01Å; L76-M110 HydrophobicContact CD2-CB 4.29Å; L76-M110 HydrophobicContact CD2-CG 4.35Å; L76-M110 HydrophobicContact CD2-SD 4.09Å
77W98.1Very high98.4Very high36 Ų3611.7 Ų11.714%0.1365%0.054CC..SBendtrans-79-38.3-177.2173.992.3000114V52 E53 C54 T55 R72 D111 R114 L115V52-W77 HydrophobicContact CG2-CH2 4.43Å; V52-W77 HydrophobicContact CG2-CZ2 3.6Å; E53-W77 PolarHBondContact O-NE1 3.05Å; C54-W77 VanDerWaalsContact C-CB 3.44Å; C54-W77 HydrophobicContact CB-CD2 4.19Å; C54-W77 HydrophobicContact CB-CE3 3.77Å; C54-W77 HydrophobicContact CB-CZ3 4.16Å; C54-W77 VanDerWaalsContact SG-CZ3 3.58Å; T55-W77 PolarHBondContact OG1-N 3.05Å; R72-W77 PolarHBondContact NH1-O 3.47Å; W77-D111 HydrophobicContact CE3-CB 4.08Å; W77-D111 HydrophobicContact CZ3-CB 4.09Å; W77-R114 HydrophobicContact CH2-CB 4.16Å; W77-R114 HydrophobicContact CH2-CG 3.75Å; W77-R114 HydrophobicContact CZ2-CG 4.2Å; W77-R114 HydrophobicContact CZ3-CB 3.92Å; W77-R114 HydrophobicContact CZ3-CG 3.99Å; W77-R114 WeakPolarHBondContact O-CD 3.5Å; W77-R114 PolarHBondContact O-NH1 3.5Å; W77-L115 HydrophobicContact CH2-CD1 4.45Å; W77-L115 HydrophobicContact CH2-CD2 3.58Å; W77-L115 HydrophobicContact CH2-CG 3.7Å; W77-L115 HydrophobicContact CZ3-CD1 4.18Å; W77-L115 HydrophobicContact CZ3-CD2 4.14Å; W77-L115 HydrophobicContact CZ3-CG 3.78Å
78G98.5Very high98.4Very high0 Ų011.6 Ų11.60%05%0.053CC..SBendtrans-68.6-156.418000000115.2R72 L76 M110 D111R72-G78 WeakPolarHBondContact CB-O 3.48Å; L76-G78 VanDerWaalsContact CD1-N 3.25Å; L76-G78 VanDerWaalsContact CD1-O 3.27Å; L76-G78 WeakPolarHBondContact CD1-O 3.4Å; G78-M110 CarbonylContact C-O 3.56Å; G78-M110 WeakPolarHBondContact CA-O 3.37Å; G78-D111 WeakPolarHBondContact CA-OD1 3.47Å; G78-D111 PolarHBondContact N-OD1 3.25Å; G78-D111 VanDerWaalsContact N-OD1 3.1Å
79A98.6Very high98.5Very high0 Ų011.6 Ų11.60%05%0.053CC..  trans-144.5148.8-179.700000112.8I70 R72 M110 V113I70-A79 HydrophobicContact CB-CB 3.74Å; I70-A79 HydrophobicContact CD1-CB 3.91Å; I70-A79 HydrophobicContact CG1-CB 4.41Å; I70-A79 HydrophobicContact CG2-CB 3.91Å; R72-A79 HydrophobicContact CB-CB 4.35Å; A79-M110 PolarHBondContact N-O 2.99Å; A79-M110 WeakPolarHBondContact O-CA 3.39Å; A79-M110 VanDerWaalsContact O-CB 3.22Å; A79-M110 WeakPolarHBondContact O-CB 3.39Å; A79-M110 WeakPolarHBondContact O-CG 3.35Å; A79-V113 HydrophobicContact CB-CG1 4Å; A79-V113 WeakPolarHBondContact O-CB 3.47Å
80E98.5Very high98.5Very high0 Ų011.4 Ų11.40%05%0.052CC..SBendtrans-75.4-40.6167.1-82.1-76.7-167.600110.3K26 S28 R30 S71 P73 N92 M110 Y143K26-E80 WeakPolarHBondContact CE-O 3.12Å; K26-E80 VanDerWaalsContact NZ-C 3.3Å; K26-E80 PolarHBondContact NZ-O 2.75Å; K26-E80 IonicContact NZ-OE2 2.92Å; K26-E80 PolarHBondContact NZ-OE2 2.89Å; S28-E80 VanDerWaalsContact OG-CG 3.26Å; S28-E80 WeakPolarHBondContact OG-CG 3.37Å; R30-E80 IonicContact CZ-OE1 2.77Å; R30-E80 IonicContact NE-OE1 2.69Å; R30-E80 IonicContact NH1-OE1 3.26Å; R30-E80 PolarHBondContact NH1-OE1 3.45Å; S71-E80 PolarHBondContact O-N 3.44Å; P73-E80 HydrophobicContact CG-CG 4.11Å; E80-N92 PolarHBondContact O-N 2.83Å; E80-N92 PolarHBondContact OE2-ND2 3.04Å; E80-M110 HydrophobicContact CG-CG 4.29Å; E80-Y143 PolarHBondContact OE1-OH 3.05Å
81M98.7Very high98.5Very high2 Ų211.4 Ų11.41%0.015%0.052CC..EExtended strand (participates in β ladder)trans-153.5160.1179.871.4-171.110600111.4K26 I70 S71 I90 A276 G278K26-M81 HydrophobicContact CB-CB 4.5Å; K26-M81 HydrophobicContact CB-SD 3.82Å; K26-M81 HydrophobicContact CD-CB 3.72Å; K26-M81 HydrophobicContact CD-CE 4.35Å; K26-M81 HydrophobicContact CD-CG 4.5Å; K26-M81 HydrophobicContact CD-SD 4.2Å; K26-M81 HydrophobicContact CG-CB 4.34Å; K26-M81 HydrophobicContact CG-CE 4.01Å; K26-M81 HydrophobicContact CG-SD 3.84Å; I70-M81 WeakPolarHBondContact CA-O 3.29Å; S71-M81 PolarHBondContact N-O 3.1Å; S71-M81 PolarHBondContact O-N 2.95Å; M81-I90 CarbonylContact C-O 3.53Å; M81-I90 VanDerWaalsContact CA-O 3.23Å; M81-I90 WeakPolarHBondContact CA-O 3.45Å; M81-A276 HydrophobicContact CE-CB 4.45Å; M81-G278 PolarHBondContact SD-N 2.74Å; M81-G278 VanDerWaalsContact SD-N 3.37Å
82G98.8Very high98.4Very high3 Ų311.3 Ų11.33%0.0315%0.052CC..EExtended strand (participates in β ladder)trans176.9-171.717000000113.1M69 C89 I90M69-G82 CarbonylContact O-C 3.58Å; M69-G82 WeakPolarHBondContact O-CA 3.47Å; G82-C89 WeakPolarHBondContact O-CA 3.38Å; G82-I90 PolarHBondContact N-O 3.43Å; G82-I90 PolarHBondContact O-N 2.91Å
83A98.9Very high98.3Very high0 Ų09.7 Ų9.70%05%0.045CC..EExtended strand (participates in β ladder)trans-139.7162.717500000111.4I68 M69 V88 H292 F310I68-A83 WeakPolarHBondContact CA-O 3.46Å; M69-A83 PolarHBondContact N-O 3.04Å; M69-A83 PolarHBondContact O-N 3.04Å; A83-V88 CarbonylContact C-O 3.56Å; A83-V88 WeakPolarHBondContact CA-O 3.31Å; A83-H292 WeakPolarHBondContact CB-CE1 3.27Å; A83-H292 VanDerWaalsContact CB-ND1 3.28Å; A83-H292 WeakPolarHBondContact CB-ND1 3.46Å; A83-F310 HydrophobicContact CB-CE2 4.23Å; A83-F310 WeakPolarHBondContact O-CZ 3.41Å
84N98.9Very high98.2Very high0 Ų09.7 Ų9.70%05%0.045CC..EExtended strand (participates in β ladder)trans-117.5170.1172.576.57000112.5A67 I68 H86 G87 V88 L117 G120 F310A67-N84 CarbonylContact O-C 3.56Å; A67-N84 VanDerWaalsContact O-CA 3.23Å; A67-N84 WeakPolarHBondContact O-CA 3.43Å; A67-N84 WeakPolarHBondContact O-CB 3.37Å; I68-N84 HydrophobicContact CG2-CB 3.84Å; N84-H86 PolarHBondContact O-N 3.03Å; N84-H86 VanDerWaalsContact O-N 3.08Å; N84-H86 PolarHBondContact OD1-N 2.97Å; N84-H86 VanDerWaalsContact OD1-N 3.09Å; N84-G87 PolarHBondContact O-N 2.97Å; N84-G87 PolarHBondContact OD1-N 3.46Å; N84-V88 PolarHBondContact N-O 3.16Å; N84-V88 WeakPolarHBondContact OD1-CB 3.19Å; N84-V88 PolarHBondContact OD1-N 2.83Å; N84-L117 HydrophobicContact CB-CB 4.46Å; N84-L117 HydrophobicContact CB-CD2 4.33Å; N84-L117 WeakPolarHBondContact CB-O 3.34Å; N84-L117 PolarHBondContact ND2-O 2.94Å; N84-G120 PolarHBondContact ND2-O 3.13Å; N84-F310 VanDerWaalsContact C-CE2 3.4Å; N84-F310 VanDerWaalsContact O-CE2 3.25Å; N84-F310 WeakPolarHBondContact O-CE2 3.39Å
85E98.4Very high98Very high79 Ų799.5 Ų9.537%0.3694%0.043SC..THydrogen-bonded Turntrans-59.9-18.3-178.866-173.8127.900114.7Y66 A67 G87 F310Y66-E85 VanDerWaalsContact CA-OE1 3.28Å; Y66-E85 WeakPolarHBondContact CA-OE1 3.28Å; Y66-E85 WeakPolarHBondContact CB-OE1 3.36Å; A67-E85 HydrophobicContact CB-CB 4.18Å; A67-E85 HydrophobicContact CB-CG 4.37Å; A67-E85 PolarHBondContact N-OE1 3.29Å; A67-E85 PolarHBondContact O-N 3.13Å; E85-G87 VanDerWaalsContact C-N 3.34Å; E85-F310 HydrophobicContact CB-CB 4.3Å; E85-F310 HydrophobicContact CB-CD1 4Å; E85-F310 HydrophobicContact CB-CG 4.12Å
86H98.4Very high97.8Very high65 Ų6510.2 Ų10.230%0.3015%0.048SC..THydrogen-bonded Turntrans-88.9-2178.6-61.1-72.7000113.3Y66 N84 E121Y66-H86 AromaticContact CD1-CD2 3.63Å; Y66-H86 AromaticContact CD1-NE2 3.09Å; Y66-H86 WeakPolarHBondContact CD1-NE2 3.41Å; Y66-H86 AromaticContact CD2-CD2 3.75Å; Y66-H86 AromaticContact CE1-CD2 3.93Å; Y66-H86 AromaticContact CE1-NE2 3.23Å; Y66-H86 WeakPolarHBondContact CE1-NE2 3.44Å; Y66-H86 AromaticContact CG-CD2 3.55Å; Y66-H86 AromaticContact CG-NE2 3.56Å; Y66-H86 AromaticContact CZ-NE2 3.77Å; N84-H86 PolarHBondContact O-N 3.03Å; N84-H86 VanDerWaalsContact O-N 3.08Å; N84-H86 PolarHBondContact OD1-N 2.97Å; N84-H86 VanDerWaalsContact OD1-N 3.09Å; H86-E121 HydrophobicContact CB-CG 4.06Å; H86-E121 WeakPolarHBondContact CB-O 3.34Å; H86-E121 IonicContact ND1-OE1 3.7Å
87G98.5Very high97.6Very high1 Ų110.5 Ų10.51%0.015%0.05CC..SBendtrans82.519.4-17900000113.8N84 E85N84-G87 PolarHBondContact O-N 2.97Å; N84-G87 PolarHBondContact OD1-N 3.46Å; E85-G87 VanDerWaalsContact C-N 3.34Å
88V98.9Very high97.4Very high0 Ų012.5 Ų12.50%06%0.057CC..  trans-81.3130.4167.4-176.40000108.6A83 N84 I90 L117 E121 T122 A126 I159 V160A83-V88 CarbonylContact C-O 3.56Å; A83-V88 WeakPolarHBondContact CA-O 3.31Å; N84-V88 PolarHBondContact N-O 3.16Å; N84-V88 WeakPolarHBondContact OD1-CB 3.19Å; N84-V88 PolarHBondContact OD1-N 2.83Å; V88-I90 HydrophobicContact CG1-CD1 4.4Å; V88-I90 HydrophobicContact CG1-CG1 4.08Å; V88-L117 HydrophobicContact CG1-CD2 4.48Å; V88-L117 WeakPolarHBondContact O-CD2 3.32Å; V88-E121 WeakPolarHBondContact CG2-O 3.44Å; V88-T122 VanDerWaalsContact CG2-C 3.5Å; V88-A126 HydrophobicContact CG1-CB 3.96Å; V88-I159 HydrophobicContact CG1-CG2 4.37Å; V88-V160 CarbonylContact C-O 3.53Å; V88-V160 WeakPolarHBondContact CA-O 3.06Å
89C98.9Very high97.1Very high0 Ų014.3 Ų14.30%07%0.066CC..EExtended strand (participates in β ladder)trans-114.8137.2172.8-60.50000109.4F24 G82 I159 V160 S280F24-C89 HydrophobicContact CD1-CB 3.84Å; F24-C89 HydrophobicContact CD2-CB 4.41Å; F24-C89 HydrophobicContact CE1-CB 3.96Å; F24-C89 HydrophobicContact CG-CB 4.05Å; F24-C89 HydrophobicContact CZ-CB 4.26Å; G82-C89 WeakPolarHBondContact O-CA 3.38Å; C89-I159 CarbonylContact O-C 3.57Å; C89-I159 WeakPolarHBondContact O-CA 3.48Å; C89-V160 HydrophobicContact CB-CB 4.44Å; C89-V160 PolarHBondContact N-O 3.31Å; C89-V160 PolarHBondContact O-N 3.13Å; C89-S280 VanDerWaalsContact SG-CB 3.51Å
90I98.9Very high96.8Very high0 Ų018.6 Ų18.60%09%0.094CC..EExtended strand (participates in β ladder)trans-132.3137.3177.4-52.3-176.6000109.6M81 G82 V88 V113 L117 A126 I130 L158 I159M81-I90 CarbonylContact C-O 3.53Å; M81-I90 VanDerWaalsContact CA-O 3.23Å; M81-I90 WeakPolarHBondContact CA-O 3.45Å; G82-I90 PolarHBondContact N-O 3.43Å; G82-I90 PolarHBondContact O-N 2.91Å; V88-I90 HydrophobicContact CG1-CD1 4.4Å; V88-I90 HydrophobicContact CG1-CG1 4.08Å; I90-V113 HydrophobicContact CB-CG1 4.03Å; I90-V113 HydrophobicContact CG2-CB 4.22Å; I90-V113 HydrophobicContact CG2-CG1 3.94Å; I90-V113 HydrophobicContact CG2-CG2 3.92Å; I90-L117 HydrophobicContact CB-CD2 4.12Å; I90-L117 HydrophobicContact CB-CG 4.16Å; I90-L117 HydrophobicContact CD1-CD2 3.94Å; I90-L117 HydrophobicContact CD1-CG 3.85Å; I90-L117 HydrophobicContact CG1-CD2 3.64Å; I90-L117 HydrophobicContact CG1-CG 3.95Å; I90-A126 HydrophobicContact CD1-CB 3.79Å; I90-I130 HydrophobicContact CD1-CD1 4.15Å; I90-I130 HydrophobicContact CG2-CD1 4.44Å; I90-L158 WeakPolarHBondContact CA-O 3.1Å; I90-I159 HydrophobicContact CD1-CG2 4.35Å; I90-I159 HydrophobicContact CG1-CG1 4.49Å; I90-I159 HydrophobicContact CG1-CG2 4.08Å; I90-I159 HydrophobicContact CG2-CG1 4.14Å
91A98.6Very high96.7Very high0 Ų019.3 Ų19.30%010%0.099CC..EExtended strand (participates in β ladder)trans-124.3137.1169.900000110.8C9 F24 K26 Y157 L158C9-A91 HydrophobicContact CB-CB 4.23Å; C9-A91 WeakPolarHBondContact SG-CB 3.46Å; F24-A91 HydrophobicContact CE2-CB 3.9Å; F24-A91 HydrophobicContact CZ-CB 3.61Å; K26-A91 HydrophobicContact CB-CB 4.18Å; K26-A91 HydrophobicContact CD-CB 3.35Å; K26-A91 HydrophobicContact CG-CB 4.25Å; A91-Y157 WeakPolarHBondContact O-CA 3.4Å; A91-L158 HydrophobicContact CB-CB 4.46Å; A91-L158 PolarHBondContact N-O 2.88Å; A91-L158 PolarHBondContact O-N 2.84Å
92N98.1Very high96.5Very high0 Ų021.4 Ų21.40%012%0.117CC..EExtended strand (participates in β ladder)trans-91.5148.7166.4161.878.4000111.9K26 E80 V113 Y143 S155 A156 Y157K26-N92 PolarHBondContact NZ-O 3.28Å; E80-N92 PolarHBondContact O-N 2.83Å; E80-N92 PolarHBondContact OE2-ND2 3.04Å; N92-V113 HydrophobicContact CB-CG2 3.45Å; N92-V113 VanDerWaalsContact CB-CG2 3.45Å; N92-Y143 PolarHBondContact ND2-OH 3.48Å; N92-S155 PolarHBondContact OD1-OG 3.05Å; N92-A156 CarbonylContact C-O 3.48Å; N92-Y157 HydrophobicContact CB-CD1 4.38Å; N92-Y157 HydrophobicContact CB-CE1 4.36Å
93E96.1Very high96.3Very high0 Ų027.9 Ų27.90%015%0.147CC..EExtended strand (participates in β ladder)trans-135.1122.5171.4-78-65.1149.800108S7 Y8 C9 S155 A156 I187S7-E93 VanDerWaalsContact C-OE1 3.24Å; S7-E93 WeakPolarHBondContact CA-OE2 3.29Å; S7-E93 VanDerWaalsContact CB-CD 3.44Å; S7-E93 WeakPolarHBondContact CB-OE1 3.43Å; S7-E93 WeakPolarHBondContact CB-OE2 3.39Å; Y8-E93 PolarHBondContact N-OE1 3.41Å; Y8-E93 VanDerWaalsContact N-OE1 3.08Å; C9-E93 PolarHBondContact SG-OE1 3.44Å; E93-S155 CarbonylContact O-C 3.17Å; E93-S155 WeakPolarHBondContact O-CA 3.19Å; E93-A156 HydrophobicContact CB-CB 4.08Å; E93-A156 PolarHBondContact N-O 3.05Å; E93-A156 PolarHBondContact O-N 3.22Å; E93-I187 HydrophobicContact CB-CD1 4.42Å; E93-I187 HydrophobicContact CG-CD1 3.84Å; E93-I187 HydrophobicContact CG-CG1 4.07Å
94A95.8Very high96.2Very high0 Ų034.4 Ų34.40%018%0.18CC..EExtended strand (participates in β ladder)trans-71.9130171.500000109.3A4 P5 Y143 F153 S189A4-A94 HydrophobicContact CB-CB 4.06Å; A4-A94 WeakPolarHBondContact CB-O 3.11Å; P5-A94 HydrophobicContact CG-CB 3.94Å; A94-Y143 HydrophobicContact CB-CE1 4.38Å; A94-Y143 HydrophobicContact CB-CE2 3.81Å; A94-F153 HydrophobicContact CB-CB 3.97Å; A94-F153 HydrophobicContact CB-CD2 4.17Å; A94-F153 HydrophobicContact CB-CG 4.08Å; A94-S189 VanDerWaalsContact O-CA 3.28Å; A94-S189 WeakPolarHBondContact O-CA 3.4Å; A94-S189 VanDerWaalsContact O-CB 3.26Å; A94-S189 WeakPolarHBondContact O-CB 3.33Å
95I94.2Very high96.1Very high1 Ų138 Ų381%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-130141.4-177.651.4158.8000110.6T97 Q154 A156 L191I95-T97 HydrophobicContact CD1-CG2 3.89Å; I95-T97 HydrophobicContact CG1-CG2 4.39Å; I95-Q154 HydrophobicContact CD1-CB 4.05Å; I95-Q154 VanDerWaalsContact CG1-C 3.46Å; I95-Q154 HydrophobicContact CG1-CB 3.82Å; I95-Q154 VanDerWaalsContact CG1-O 3.3Å; I95-Q154 WeakPolarHBondContact CG1-O 3.29Å; I95-Q154 PolarHBondContact N-O 3.2Å; I95-Q154 PolarHBondContact O-N 2.84Å; I95-Q154 VanDerWaalsContact O-N 3.16Å; I95-A156 HydrophobicContact CD1-CB 4.14Å; I95-A156 HydrophobicContact CG1-CB 4.41Å; I95-A156 HydrophobicContact CG2-CB 3.83Å; I95-L191 HydrophobicContact CD1-CD2 3.42Å; I95-L191 VanDerWaalsContact CD1-CD2 3.42Å
96N92Very high96.1Very high27 Ų2734.8 Ų34.814%0.14418%0.184CC..  trans-89.1133.9165.9-69.9107.7000109A2 A4 P228A2-N96 PolarHBondContact O-ND2 3.07Å; A2-N96 VanDerWaalsContact O-ND2 3.12Å; A4-N96 VanDerWaalsContact CB-OD1 3.27Å; A4-N96 WeakPolarHBondContact CB-OD1 3.18Å; A4-N96 PolarHBondContact N-OD1 3.29Å; N96-P228 HydrophobicContact CB-CG 4.31Å
97T93.7Very high96.1Very high7 Ų731.7 Ų31.74%0.04317%0.169CC..  trans-126.9169.4174.883.20000109.9I95 E99 Q154 I171 L191 F226I95-T97 HydrophobicContact CD1-CG2 3.89Å; I95-T97 HydrophobicContact CG1-CG2 4.39Å; T97-E99 PolarHBondContact O-N 3.33Å; T97-E99 PolarHBondContact OG1-N 3.44Å; T97-E99 PolarHBondContact OG1-O 3.2Å; T97-Q154 HydrophobicContact CG2-CB 3.94Å; T97-Q154 HydrophobicContact CG2-CG 3.79Å; T97-I171 HydrophobicContact CG2-CG1 4.24Å; T97-L191 HydrophobicContact CG2-CD1 4.23Å; T97-L191 HydrophobicContact CG2-CD2 4.09Å; T97-L191 HydrophobicContact CG2-CG 4.32Å; T97-F226 WeakPolarHBondContact CB-O 3.41Å
98R93.7Very high96.1Very high77 Ų7731.9 Ų31.929%0.29117%0.17SC..SBendtrans-53.5-35.6172.8-179.2175.1-69-178.14.1111.6P100 W213 V225 F226R98-P100 WeakPolarHBondContact O-CD 3.34Å; R98-W213 VanDerWaalsContact CD-CE2 3.45Å; R98-W213 HydrophobicContact CG-CD2 4.39Å; R98-W213 HydrophobicContact CG-CZ2 4.11Å; R98-W213 VanDerWaalsContact NH1-CB 3.28Å; R98-W213 VanDerWaalsContact NH1-CG 3.27Å; R98-V225 PolarHBondContact NE-O 3.39Å; R98-V225 PolarHBondContact NH1-O 3.42Å; R98-V225 VanDerWaalsContact NH1-O 3.12Å; R98-F226 VanDerWaalsContact CB-O 3.24Å; R98-F226 WeakPolarHBondContact CB-O 3.22Å; R98-F226 PolarHBondContact N-O 2.74Å
99E92.6Very high96.1Very high39 Ų3932 Ų3218%0.18217%0.172CC..SBendtrans-90.8117.1172.5-172.1169.5136.400110.5T97 Q154 I171 Y207 W213T97-E99 PolarHBondContact O-N 3.33Å; T97-E99 PolarHBondContact OG1-N 3.44Å; T97-E99 PolarHBondContact OG1-O 3.2Å; E99-Q154 PolarHBondContact O-NE2 3.47Å; E99-I171 HydrophobicContact CB-CG2 3.76Å; E99-I171 HydrophobicContact CG-CG2 4.38Å; E99-Y207 VanDerWaalsContact CD-OH 3.29Å; E99-Y207 WeakPolarHBondContact OE2-CE1 3.46Å; E99-Y207 PolarHBondContact OE2-OH 2.83Å; E99-W213 HydrophobicContact CB-CH2 3.97Å
100P93Very high96.1Very high89 Ų8932.1 Ų32.158%0.57817%0.172SC*.PPolyproline II helixtrans-59141.7173.5-2233.7000111R98R98-P100 WeakPolarHBondContact O-CD 3.34Å
101A95Very high96.1Very high15 Ų1532.1 Ų32.112%0.12417%0.172CC..PPolyproline II helixtrans-67.2153.517300000111.6F153 Q154A101-F153 WeakPolarHBondContact CB-O 3.37Å; A101-Q154 HydrophobicContact CB-CG 4.19Å
102A95.4Very high96.1Very high46 Ų4632.1 Ų32.138%0.3817%0.172SC..BIsolated β-bridgetrans-72.2132.1179.500000111.2G140 G141 S152A102-G140 WeakPolarHBondContact O-CA 3.17Å; A102-G141 PolarHBondContact O-N 2.97Å; A102-S152 WeakPolarHBondContact O-CB 3.24Å; A102-S152 PolarHBondContact O-OG 3.11Å
103E95.3Very high96.1Very high140 Ų14032.1 Ų32.165%0.65417%0.172SC*.  trans-76.5-14.6169.3-64.6-179.2-174.700112.3E105 C150 S152E103-E105 PolarHBondContact O-N 2.83Å; E103-C150 HydrophobicContact CG-CB 4.26Å; E103-S152 WeakPolarHBondContact CA-OG 3.44Å
104I96.3Very high96.2Very high137 Ų13733 Ų3370%0.70318%0.175SC*.SBendtrans-67.4128.7177.5-61173.2000108.6A106 G140 G141I104-A106 PolarHBondContact O-N 2.9Å; I104-G140 CarbonylContact O-C 3.57Å; I104-G140 WeakPolarHBondContact O-CA 3.25Å; I104-G141 PolarHBondContact O-N 2.99Å; I104-G141 VanDerWaalsContact O-N 3.12Å
105E97Very high96.4Very high75 Ų7533 Ų3335%0.3518%0.175SC..  trans-58.8122.2177-72.4-173.5178.800111.8Y56 E103 R336Y56-E105 HydrophobicContact CD1-CG 4.32Å; Y56-E105 HydrophobicContact CD2-CB 4.39Å; Y56-E105 HydrophobicContact CD2-CG 4.17Å; Y56-E105 HydrophobicContact CG-CB 4.17Å; Y56-E105 HydrophobicContact CG-CG 3.96Å; E103-E105 PolarHBondContact O-N 2.83Å; E105-R336 VanDerWaalsContact CD-NE 3.31Å; E105-R336 WeakPolarHBondContact OE1-CD 3.39Å; E105-R336 IonicContact OE1-CZ 3.21Å; E105-R336 IonicContact OE1-NE 3.67Å; E105-R336 PolarHBondContact OE1-NE 2.7Å; E105-R336 IonicContact OE1-NH2 2.74Å; E105-R336 IonicContact OE2-CZ 3.65Å; E105-R336 IonicContact OE2-NE 2.83Å; E105-R336 PolarHBondContact OE2-NE 2.86Å; E105-R336 IonicContact OE2-NH2 3.42Å; E105-R336 PolarHBondContact OE2-NH2 2.83Å
106A98.1Very high96.6Very high11 Ų1132.9 Ų32.99%0.09118%0.175CC..  trans-145.4-155.3174.900000108.6I104 G140I104-A106 PolarHBondContact O-N 2.9Å; A106-G140 PolarHBondContact N-O 3.42Å
107L98.6Very high96.9Very high0 Ų031.6 Ų31.60%017%0.168CC..BIsolated β-bridgetrans-67.7135.1166.8-64.6178.2000109.5C54 I57 I59 D111 L112 L115 L133 H137 Q139 G140C54-L107 HydrophobicContact CB-CD2 3.95Å; I57-L107 HydrophobicContact CD1-CD2 4Å; I57-L107 HydrophobicContact CD1-CG 3.98Å; I57-L107 HydrophobicContact CG1-CD2 3.86Å; I57-L107 HydrophobicContact CG1-CG 4.35Å; I59-L107 HydrophobicContact CG2-CD2 4.08Å; L107-D111 HydrophobicContact CB-CB 4.38Å; L107-D111 HydrophobicContact CD2-CB 4.11Å; L107-L112 HydrophobicContact CB-CG 4.34Å; L107-L112 HydrophobicContact CD1-CD2 3.75Å; L107-L112 HydrophobicContact CD1-CG 4.41Å; L107-L115 HydrophobicContact CD1-CD1 4.12Å; L107-L115 HydrophobicContact CD2-CD1 4.18Å; L107-L133 HydrophobicContact CD1-CB 4.08Å; L107-H137 HydrophobicContact CD1-CB 3.88Å; L107-H137 HydrophobicContact CG-CB 4.04Å; L107-Q139 WeakPolarHBondContact O-CA 3.38Å; L107-G140 PolarHBondContact O-N 2.66Å; L107-G140 VanDerWaalsContact O-N 3.13Å
108L98.1Very high97.2Very high6 Ų631.7 Ų31.73%0.03117%0.168CC..  trans-81.1158165.3-67.3173.2000110.1T55 Y56 W75 M110 D111 L112 G140T55-L108 HydrophobicContact CG2-CD1 3.73Å; Y56-L108 HydrophobicContact CD2-CD1 4.13Å; Y56-L108 HydrophobicContact CD2-CD2 4.29Å; Y56-L108 HydrophobicContact CD2-CG 3.91Å; Y56-L108 HydrophobicContact CE2-CD1 3.55Å; Y56-L108 HydrophobicContact CE2-CD2 3.8Å; Y56-L108 HydrophobicContact CE2-CG 3.67Å; W75-L108 HydrophobicContact CH2-CD1 4.06Å; L108-M110 HydrophobicContact CB-CE 3.76Å; L108-M110 PolarHBondContact O-N 3.14Å; L108-M110 VanDerWaalsContact O-N 3.11Å; L108-D111 PolarHBondContact N-OD2 2.98Å; L108-D111 WeakPolarHBondContact O-CA 3.28Å; L108-D111 VanDerWaalsContact O-CB 3.31Å; L108-D111 WeakPolarHBondContact O-CB 3.27Å; L108-D111 PolarHBondContact O-N 3.16Å; L108-L112 PolarHBondContact O-N 2.95Å; L108-L112 VanDerWaalsContact O-N 3.1Å; L108-G140 WeakPolarHBondContact CD2-O 3.48Å
109G98.1Very high97.4Very high3 Ų329.7 Ų29.73%0.03116%0.161CC..Hα-helixtrans-56.9-30.617500000113.6L112 V113 Y157G109-L112 WeakPolarHBondContact O-CB 3.11Å; G109-L112 PolarHBondContact O-N 2.88Å; G109-V113 WeakPolarHBondContact O-CG2 3.5Å; G109-V113 PolarHBondContact O-N 2.72Å; G109-Y157 WeakPolarHBondContact CA-OH 3.37Å; G109-Y157 WeakPolarHBondContact O-CE1 3.32Å
110M98.6Very high97.7Very high1 Ų127.9 Ų27.91%0.00515%0.152CC..Hα-helixtrans-68.8-34.8174.4-67.1112-61.900111.7L76 G78 A79 E80 L108 L112 V113 R114 Y143L76-M110 HydrophobicContact CD1-CB 4.01Å; L76-M110 HydrophobicContact CD2-CB 4.29Å; L76-M110 HydrophobicContact CD2-CG 4.35Å; L76-M110 HydrophobicContact CD2-SD 4.09Å; G78-M110 CarbonylContact C-O 3.56Å; G78-M110 WeakPolarHBondContact CA-O 3.37Å; A79-M110 PolarHBondContact N-O 2.99Å; A79-M110 WeakPolarHBondContact O-CA 3.39Å; A79-M110 VanDerWaalsContact O-CB 3.22Å; A79-M110 WeakPolarHBondContact O-CB 3.39Å; A79-M110 WeakPolarHBondContact O-CG 3.35Å; E80-M110 HydrophobicContact CG-CG 4.29Å; L108-M110 HydrophobicContact CB-CE 3.76Å; L108-M110 PolarHBondContact O-N 3.14Å; L108-M110 VanDerWaalsContact O-N 3.11Å; M110-L112 VanDerWaalsContact C-N 3.31Å; M110-V113 WeakPolarHBondContact O-CB 3.29Å; M110-V113 PolarHBondContact O-N 2.86Å; M110-R114 PolarHBondContact O-N 2.96Å; M110-Y143 HydrophobicContact CE-CD2 3.62Å; M110-Y143 HydrophobicContact CE-CE2 3.21Å; M110-Y143 HydrophobicContact SD-CD2 4.03Å; M110-Y143 HydrophobicContact SD-CE1 4.21Å; M110-Y143 HydrophobicContact SD-CE2 3.46Å; M110-Y143 WeakPolarHBondContact SD-CE2 3.46Å; M110-Y143 VanDerWaalsContact SD-CZ 3.52Å
111D98.9Very high98Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-64.7-42.5171.7-63-24.1000109.6C54 T55 W77 G78 L107 L108 V113 R114 L115C54-D111 HydrophobicContact CB-CB 4.31Å; T55-D111 WeakPolarHBondContact CB-OD1 3.36Å; T55-D111 WeakPolarHBondContact CB-OD2 3.21Å; T55-D111 PolarHBondContact N-OD1 3.02Å; T55-D111 PolarHBondContact N-OD2 3.08Å; T55-D111 PolarHBondContact OG1-OD1 3.09Å; T55-D111 PolarHBondContact OG1-OD2 2.95Å; W77-D111 HydrophobicContact CE3-CB 4.08Å; W77-D111 HydrophobicContact CZ3-CB 4.09Å; G78-D111 WeakPolarHBondContact CA-OD1 3.47Å; G78-D111 PolarHBondContact N-OD1 3.25Å; G78-D111 VanDerWaalsContact N-OD1 3.1Å; L107-D111 HydrophobicContact CB-CB 4.38Å; L107-D111 HydrophobicContact CD2-CB 4.11Å; L108-D111 PolarHBondContact N-OD2 2.98Å; L108-D111 WeakPolarHBondContact O-CA 3.28Å; L108-D111 VanDerWaalsContact O-CB 3.31Å; L108-D111 WeakPolarHBondContact O-CB 3.27Å; L108-D111 PolarHBondContact O-N 3.16Å; D111-V113 VanDerWaalsContact C-N 3.35Å; D111-V113 PolarHBondContact O-N 3.44Å; D111-R114 PolarHBondContact O-N 3.29Å; D111-L115 HydrophobicContact CB-CD1 4.45Å; D111-L115 WeakPolarHBondContact O-CB 3.3Å; D111-L115 WeakPolarHBondContact O-CD1 3.36Å; D111-L115 VanDerWaalsContact O-CG 3.24Å; D111-L115 WeakPolarHBondContact O-CG 3.49Å; D111-L115 PolarHBondContact O-N 3.03Å
112L98.9Very high98.2Very high0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-62.2-37.6176.2-68.5169.8000112.5L107 L108 G109 M110 R114 L115 G116 I130 L133 L134 Y157L107-L112 HydrophobicContact CB-CG 4.34Å; L107-L112 HydrophobicContact CD1-CD2 3.75Å; L107-L112 HydrophobicContact CD1-CG 4.41Å; L108-L112 PolarHBondContact O-N 2.95Å; L108-L112 VanDerWaalsContact O-N 3.1Å; G109-L112 WeakPolarHBondContact O-CB 3.11Å; G109-L112 PolarHBondContact O-N 2.88Å; M110-L112 VanDerWaalsContact C-N 3.31Å; L112-R114 PolarHBondContact O-N 2.89Å; L112-L115 PolarHBondContact O-N 3.38Å; L112-G116 PolarHBondContact O-N 3.33Å; L112-I130 HydrophobicContact CB-CG1 4.36Å; L112-I130 HydrophobicContact CB-CG2 4.15Å; L112-I130 HydrophobicContact CD1-CG2 4.39Å; L112-I130 HydrophobicContact CD2-CG2 4.49Å; L112-I130 WeakPolarHBondContact O-CG1 3.18Å; L112-L133 HydrophobicContact CD2-CB 3.68Å; L112-L133 HydrophobicContact CD2-CD1 4.48Å; L112-L134 HydrophobicContact CD1-CB 4.36Å; L112-L134 HydrophobicContact CD1-CD1 4.07Å; L112-Y157 HydrophobicContact CB-CE1 4.35Å; L112-Y157 WeakPolarHBondContact CD1-OH 3.31Å
113V98.9Very high98.3Very high0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-56.1-52171.6170.90000111A79 I90 N92 G109 M110 D111 G116 L117 Y157A79-V113 HydrophobicContact CB-CG1 4Å; A79-V113 WeakPolarHBondContact O-CB 3.47Å; I90-V113 HydrophobicContact CB-CG1 4.03Å; I90-V113 HydrophobicContact CG2-CB 4.22Å; I90-V113 HydrophobicContact CG2-CG1 3.94Å; I90-V113 HydrophobicContact CG2-CG2 3.92Å; N92-V113 HydrophobicContact CB-CG2 3.45Å; N92-V113 VanDerWaalsContact CB-CG2 3.45Å; G109-V113 WeakPolarHBondContact O-CG2 3.5Å; G109-V113 PolarHBondContact O-N 2.72Å; M110-V113 WeakPolarHBondContact O-CB 3.29Å; M110-V113 PolarHBondContact O-N 2.86Å; D111-V113 VanDerWaalsContact C-N 3.35Å; D111-V113 PolarHBondContact O-N 3.44Å; V113-G116 PolarHBondContact O-N 3.08Å; V113-L117 HydrophobicContact CG1-CD1 4.11Å; V113-L117 WeakPolarHBondContact O-CG 3.09Å; V113-L117 PolarHBondContact O-N 3.08Å; V113-Y157 HydrophobicContact CG2-CD1 4.03Å; V113-Y157 HydrophobicContact CG2-CE1 4.04Å
114R98.9Very high98.5Very high18 Ų1824.2 Ų24.27%0.06812%0.119CC..Hα-helixtrans-64.8-45-177.6178.9172.5174.4172.23.6111.3I68 W77 M110 D111 L112 G116 L117 E118I68-R114 HydrophobicContact CD1-CG 3.89Å; W77-R114 HydrophobicContact CH2-CB 4.16Å; W77-R114 HydrophobicContact CH2-CG 3.75Å; W77-R114 HydrophobicContact CZ2-CG 4.2Å; W77-R114 HydrophobicContact CZ3-CB 3.92Å; W77-R114 HydrophobicContact CZ3-CG 3.99Å; W77-R114 WeakPolarHBondContact O-CD 3.5Å; W77-R114 PolarHBondContact O-NH1 3.5Å; M110-R114 PolarHBondContact O-N 2.96Å; D111-R114 PolarHBondContact O-N 3.29Å; L112-R114 PolarHBondContact O-N 2.89Å; R114-G116 VanDerWaalsContact C-N 3.32Å; R114-G116 PolarHBondContact O-N 2.88Å; R114-L117 PolarHBondContact O-N 2.87Å; R114-E118 HydrophobicContact CG-CG 4.29Å; R114-E118 IonicContact CZ-OE1 3.59Å; R114-E118 IonicContact NE-OE1 2.78Å; R114-E118 PolarHBondContact NE-OE1 2.99Å; R114-E118 IonicContact NH2-OE1 3.44Å; R114-E118 PolarHBondContact NH2-OE1 2.91Å; R114-E118 WeakPolarHBondContact O-CG 3.43Å; R114-E118 PolarHBondContact O-N 2.89Å
115L98.9Very high98.6Very high0 Ų021.5 Ų21.50%010%0.103CC..Hα-helixtrans-62.2-40.2178.5-68.6161000111.6I59 W77 L107 D111 L112 E118 R119 L133I59-L115 HydrophobicContact CD1-CD1 3.74Å; I59-L115 HydrophobicContact CD1-CD2 3.89Å; I59-L115 HydrophobicContact CD1-CG 4.49Å; W77-L115 HydrophobicContact CH2-CD1 4.45Å; W77-L115 HydrophobicContact CH2-CD2 3.58Å; W77-L115 HydrophobicContact CH2-CG 3.7Å; W77-L115 HydrophobicContact CZ3-CD1 4.18Å; W77-L115 HydrophobicContact CZ3-CD2 4.14Å; W77-L115 HydrophobicContact CZ3-CG 3.78Å; L107-L115 HydrophobicContact CD1-CD1 4.12Å; L107-L115 HydrophobicContact CD2-CD1 4.18Å; D111-L115 HydrophobicContact CB-CD1 4.45Å; D111-L115 WeakPolarHBondContact O-CB 3.3Å; D111-L115 WeakPolarHBondContact O-CD1 3.36Å; D111-L115 VanDerWaalsContact O-CG 3.24Å; D111-L115 WeakPolarHBondContact O-CG 3.49Å; D111-L115 PolarHBondContact O-N 3.03Å; L112-L115 PolarHBondContact O-N 3.38Å; L115-E118 PolarHBondContact O-N 2.91Å; L115-R119 VanDerWaalsContact O-CB 3.25Å; L115-R119 WeakPolarHBondContact O-CB 3.17Å; L115-R119 WeakPolarHBondContact O-CD 3.36Å; L115-R119 WeakPolarHBondContact O-CG 3.22Å; L115-R119 PolarHBondContact O-N 2.78Å; L115-L133 HydrophobicContact CB-CD1 3.67Å; L115-L133 HydrophobicContact CD1-CD1 3.89Å; L115-L133 HydrophobicContact CG-CD1 4.21Å
116G98.9Very high98.7Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-60.8-45.2173.600000112.4L112 V113 R114 R119 G120L112-G116 PolarHBondContact O-N 3.33Å; V113-G116 PolarHBondContact O-N 3.08Å; R114-G116 VanDerWaalsContact C-N 3.32Å; R114-G116 PolarHBondContact O-N 2.88Å; G116-R119 PolarHBondContact O-N 3.01Å; G116-G120 PolarHBondContact O-N 3.44Å
117L99Very high98.7Very high0 Ų017.4 Ų17.40%08%0.082CC..Hα-helixtrans-65.6-42.3177.7-71.9172.4000112.8I68 I70 N84 V88 I90 V113 R114 R119I68-L117 HydrophobicContact CG2-CB 3.72Å; I70-L117 HydrophobicContact CG2-CD1 3.83Å; N84-L117 HydrophobicContact CB-CB 4.46Å; N84-L117 HydrophobicContact CB-CD2 4.33Å; N84-L117 WeakPolarHBondContact CB-O 3.34Å; N84-L117 PolarHBondContact ND2-O 2.94Å; V88-L117 HydrophobicContact CG1-CD2 4.48Å; V88-L117 WeakPolarHBondContact O-CD2 3.32Å; I90-L117 HydrophobicContact CB-CD2 4.12Å; I90-L117 HydrophobicContact CB-CG 4.16Å; I90-L117 HydrophobicContact CD1-CD2 3.94Å; I90-L117 HydrophobicContact CD1-CG 3.85Å; I90-L117 HydrophobicContact CG1-CD2 3.64Å; I90-L117 HydrophobicContact CG1-CG 3.95Å; V113-L117 HydrophobicContact CG1-CD1 4.11Å; V113-L117 WeakPolarHBondContact O-CG 3.09Å; V113-L117 PolarHBondContact O-N 3.08Å; R114-L117 PolarHBondContact O-N 2.87Å; L117-R119 PolarHBondContact O-N 2.93Å
118E98.9Very high98.8Very high9 Ų920.3 Ų20.34%0.04210%0.098CC..Hα-helixtrans-70.1-19.1-179.2-73.6-177.617200112.9T65 Y66 I68 R114 L115T65-E118 CarbonylContact C-O 3.6Å; T65-E118 VanDerWaalsContact CA-O 3.29Å; T65-E118 WeakPolarHBondContact CA-O 3.3Å; T65-E118 HydrophobicContact CG2-CB 4.02Å; Y66-E118 WeakPolarHBondContact CD2-O 3.33Å; Y66-E118 PolarHBondContact N-O 2.96Å; I68-E118 HydrophobicContact CD1-CG 3.76Å; I68-E118 HydrophobicContact CG1-CG 4.35Å; I68-E118 HydrophobicContact CG2-CG 4.08Å; R114-E118 HydrophobicContact CG-CG 4.29Å; R114-E118 IonicContact CZ-OE1 3.59Å; R114-E118 IonicContact NE-OE1 2.78Å; R114-E118 PolarHBondContact NE-OE1 2.99Å; R114-E118 IonicContact NH2-OE1 3.44Å; R114-E118 PolarHBondContact NH2-OE1 2.91Å; R114-E118 WeakPolarHBondContact O-CG 3.43Å; R114-E118 PolarHBondContact O-N 2.89Å; L115-E118 PolarHBondContact O-N 2.91Å
119R98.7Very high98.8Very high35 Ų3521.4 Ų21.413%0.13211%0.105CC..Hα-helixtrans-125.6-11.1-166.6-55.5176.2179.1-165.1-5.9115.2D60 V62 L115 G116 L117 V129D60-R119 PolarHBondContact O-NH2 3.33Å; V62-R119 HydrophobicContact CG1-CG 4.34Å; V62-R119 HydrophobicContact CG2-CG 3.83Å; L115-R119 VanDerWaalsContact O-CB 3.25Å; L115-R119 WeakPolarHBondContact O-CB 3.17Å; L115-R119 WeakPolarHBondContact O-CD 3.36Å; L115-R119 WeakPolarHBondContact O-CG 3.22Å; L115-R119 PolarHBondContact O-N 2.78Å; G116-R119 PolarHBondContact O-N 3.01Å; L117-R119 PolarHBondContact O-N 2.93Å; R119-V129 HydrophobicContact CB-CB 4.47Å; R119-V129 HydrophobicContact CB-CG1 3.96Å; R119-V129 HydrophobicContact CB-CG2 3.76Å; R119-V129 HydrophobicContact CG-CG1 4.47Å
120G98.7Very high98.8Very high0 Ų021.2 Ų21.20%010%0.103CC..  trans-108.8126.7-179.800000113.7N84 G116N84-G120 PolarHBondContact ND2-O 3.13Å; G116-G120 PolarHBondContact O-N 3.44Å
121E98.5Very high98.8Very high98 Ų9821.6 Ų21.646%0.45811%0.105SC..SBendtrans-82.2-23.3175.5-166.7176.1171.700111.8Y66 H86 V88 E125Y66-E121 HydrophobicContact CE2-CB 4.34Å; H86-E121 HydrophobicContact CB-CG 4.06Å; H86-E121 WeakPolarHBondContact CB-O 3.34Å; H86-E121 IonicContact ND1-OE1 3.7Å; V88-E121 WeakPolarHBondContact CG2-O 3.44Å; E121-E125 WeakPolarHBondContact CA-OE2 3.33Å; E121-E125 WeakPolarHBondContact CB-OE2 3.25Å; E121-E125 PolarHBondContact N-OE2 2.95Å
122T98.9Very high98.8Very high48 Ų4824.8 Ų24.829%0.29413%0.128SC..SBendtrans-128.1165.1177.865.10000111.2V88 K124 E125 A126V88-T122 VanDerWaalsContact CG2-C 3.5Å; T122-K124 PolarHBondContact O-N 3.39Å; T122-E125 PolarHBondContact O-N 2.78Å; T122-E125 WeakPolarHBondContact OG1-CG 3.42Å; T122-E125 PolarHBondContact OG1-N 2.93Å; T122-E125 VanDerWaalsContact OG1-N 3.15Å; T122-A126 WeakPolarHBondContact O-CB 3.29Å; T122-A126 PolarHBondContact O-N 2.93Å
123A98.9Very high98.8Very high0 Ų025.4 Ų25.40%013%0.131CC..Hα-helixtrans-58-38.1174.400000111.6L127 I159 D161 E164A123-L127 WeakPolarHBondContact O-CB 3.4Å; A123-L127 PolarHBondContact O-N 3.18Å; A123-I159 HydrophobicContact CB-CG2 3.91Å; A123-I159 VanDerWaalsContact O-CG2 3.28Å; A123-I159 WeakPolarHBondContact O-CG2 3.4Å; A123-D161 HydrophobicContact CB-CB 3.99Å; A123-D161 WeakPolarHBondContact CB-OD2 3.21Å; A123-D161 PolarHBondContact N-OD2 3.38Å; A123-E164 HydrophobicContact CB-CG 4.36Å
124K98.8Very high98.8Very high67 Ų6725.4 Ų25.429%0.29113%0.131SC..Hα-helixtrans-67.2-43.4177.2-178.156.8173.673.10112.7T122 L127 D128 W166T122-K124 PolarHBondContact O-N 3.39Å; K124-L127 WeakPolarHBondContact O-CB 3.48Å; K124-L127 PolarHBondContact O-N 2.61Å; K124-D128 IonicContact NZ-OD1 3.59Å; K124-D128 PolarHBondContact NZ-OD1 3.47Å; K124-D128 IonicContact NZ-OD2 3.53Å; K124-D128 PolarHBondContact NZ-OD2 3.01Å; K124-D128 VanDerWaalsContact O-CG 3.32Å; K124-D128 PolarHBondContact O-N 2.91Å; K124-W166 HydrophobicContact CD-CH2 4.31Å; K124-W166 HydrophobicContact CD-CZ2 3.64Å
125E98.9Very high98.8Very high80 Ų8028.7 Ų28.737%0.37415%0.147SC..Hα-helixtrans-66.3-39.9177.2-73.9176.1-171.100111.9E121 T122 L127 D128 V129E121-E125 WeakPolarHBondContact CA-OE2 3.33Å; E121-E125 WeakPolarHBondContact CB-OE2 3.25Å; E121-E125 PolarHBondContact N-OE2 2.95Å; T122-E125 PolarHBondContact O-N 2.78Å; T122-E125 WeakPolarHBondContact OG1-CG 3.42Å; T122-E125 PolarHBondContact OG1-N 2.93Å; T122-E125 VanDerWaalsContact OG1-N 3.15Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.56Å; E125-D128 PolarHBondContact O-N 2.96Å; E125-D128 VanDerWaalsContact O-N 3.14Å; E125-V129 WeakPolarHBondContact O-CG2 3.2Å; E125-V129 PolarHBondContact O-N 2.95Å
126A98.9Very high98.7Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-61.7-40.1174.200000111.9V88 I90 T122 V129 I130 I159V88-A126 HydrophobicContact CG1-CB 3.96Å; I90-A126 HydrophobicContact CD1-CB 3.79Å; T122-A126 WeakPolarHBondContact O-CB 3.29Å; T122-A126 PolarHBondContact O-N 2.93Å; A126-V129 PolarHBondContact O-N 2.96Å; A126-I130 VanDerWaalsContact O-CG1 3.3Å; A126-I130 WeakPolarHBondContact O-CG1 3.49Å; A126-I130 PolarHBondContact O-N 2.92Å; A126-I159 HydrophobicContact CB-CG2 3.92Å
127L98.9Very high98.7Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-58.7-47.7170.7177.1152.3000111.2A123 K124 E125 V129 I130 V131 I159 W166 A177A123-L127 WeakPolarHBondContact O-CB 3.4Å; A123-L127 PolarHBondContact O-N 3.18Å; K124-L127 WeakPolarHBondContact O-CB 3.48Å; K124-L127 PolarHBondContact O-N 2.61Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.56Å; L127-V129 VanDerWaalsContact C-N 3.3Å; L127-V129 PolarHBondContact O-N 2.92Å; L127-I130 PolarHBondContact O-N 3.42Å; L127-I130 VanDerWaalsContact O-N 3.15Å; L127-V131 HydrophobicContact CD2-CG1 4.27Å; L127-V131 HydrophobicContact CD2-CG2 4.42Å; L127-V131 HydrophobicContact CG-CG1 4.48Å; L127-V131 WeakPolarHBondContact O-CG2 3.5Å; L127-V131 PolarHBondContact O-N 3.46Å; L127-I159 HydrophobicContact CB-CD1 3.81Å; L127-I159 HydrophobicContact CG-CD1 4.39Å; L127-W166 HydrophobicContact CD1-CB 3.63Å; L127-W166 HydrophobicContact CD1-CD2 3.69Å; L127-W166 HydrophobicContact CD1-CE3 3.62Å; L127-W166 HydrophobicContact CD1-CG 3.72Å; L127-W166 HydrophobicContact CD1-CZ3 4.44Å; L127-A177 HydrophobicContact CD1-CB 3.75Å
128D98.9Very high98.6Very high62 Ų6238.2 Ų38.233%0.33220%0.197SC..Hα-helixtrans-62.5-38.3-178.1-71.5-25000112.3K124 E125 V131 S132K124-D128 IonicContact NZ-OD1 3.59Å; K124-D128 PolarHBondContact NZ-OD1 3.47Å; K124-D128 IonicContact NZ-OD2 3.53Å; K124-D128 PolarHBondContact NZ-OD2 3.01Å; K124-D128 VanDerWaalsContact O-CG 3.32Å; K124-D128 PolarHBondContact O-N 2.91Å; E125-D128 PolarHBondContact O-N 2.96Å; E125-D128 VanDerWaalsContact O-N 3.14Å; D128-V131 WeakPolarHBondContact O-CG2 3.44Å; D128-S132 VanDerWaalsContact O-CB 3.27Å; D128-S132 WeakPolarHBondContact O-CB 3.12Å; D128-S132 PolarHBondContact O-N 2.94Å; D128-S132 PolarHBondContact O-OG 3.02Å
129V98.9Very high98.6Very high28 Ų2838.4 Ų38.417%0.1720%0.198CC..Hα-helixtrans-61.1-50.8171.9167.80000110.8R119 E125 A126 L127 V131 S132 L133R119-V129 HydrophobicContact CB-CB 4.47Å; R119-V129 HydrophobicContact CB-CG1 3.96Å; R119-V129 HydrophobicContact CB-CG2 3.76Å; R119-V129 HydrophobicContact CG-CG1 4.47Å; E125-V129 WeakPolarHBondContact O-CG2 3.2Å; E125-V129 PolarHBondContact O-N 2.95Å; A126-V129 PolarHBondContact O-N 2.96Å; L127-V129 VanDerWaalsContact C-N 3.3Å; L127-V129 PolarHBondContact O-N 2.92Å; V129-V131 PolarHBondContact O-N 3.48Å; V129-S132 PolarHBondContact O-N 3.42Å; V129-L133 HydrophobicContact CG1-CD1 3.63Å; V129-L133 HydrophobicContact CG1-CG 4.46Å; V129-L133 WeakPolarHBondContact O-CB 3.38Å; V129-L133 VanDerWaalsContact O-CG 3.29Å; V129-L133 WeakPolarHBondContact O-CG 3.42Å; V129-L133 PolarHBondContact O-N 2.9Å
130I98.9Very high98.5Very high0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-59.9-49-177.2-72.2167.4000110.6I90 L112 A126 L127 L133 L134 Y157 I159 L168I90-I130 HydrophobicContact CD1-CD1 4.15Å; I90-I130 HydrophobicContact CG2-CD1 4.44Å; L112-I130 HydrophobicContact CB-CG1 4.36Å; L112-I130 HydrophobicContact CB-CG2 4.15Å; L112-I130 HydrophobicContact CD1-CG2 4.39Å; L112-I130 HydrophobicContact CD2-CG2 4.49Å; L112-I130 WeakPolarHBondContact O-CG1 3.18Å; A126-I130 VanDerWaalsContact O-CG1 3.3Å; A126-I130 WeakPolarHBondContact O-CG1 3.49Å; A126-I130 PolarHBondContact O-N 2.92Å; L127-I130 PolarHBondContact O-N 3.42Å; L127-I130 VanDerWaalsContact O-N 3.15Å; I130-L133 PolarHBondContact O-N 3.13Å; I130-L134 VanDerWaalsContact O-CB 3.26Å; I130-L134 WeakPolarHBondContact O-CB 3.33Å; I130-L134 PolarHBondContact O-N 3.27Å; I130-Y157 HydrophobicContact CG2-CE2 4.34Å; I130-I159 HydrophobicContact CD1-CD1 3.85Å; I130-I159 HydrophobicContact CD1-CG1 4.4Å; I130-L168 HydrophobicContact CB-CD2 4.25Å; I130-L168 HydrophobicContact CG2-CD2 3.55Å
131V98.8Very high98.4Very high8 Ų837 Ų375%0.04820%0.195CC..Hα-helixtrans-68.6-37.2-177.5-59.30000112L127 D128 V129 L134 E135 L168 W175L127-V131 HydrophobicContact CD2-CG1 4.27Å; L127-V131 HydrophobicContact CD2-CG2 4.42Å; L127-V131 HydrophobicContact CG-CG1 4.48Å; L127-V131 WeakPolarHBondContact O-CG2 3.5Å; L127-V131 PolarHBondContact O-N 3.46Å; D128-V131 WeakPolarHBondContact O-CG2 3.44Å; V129-V131 PolarHBondContact O-N 3.48Å; V131-L134 PolarHBondContact O-N 3.09Å; V131-E135 WeakPolarHBondContact O-CB 3.49Å; V131-E135 VanDerWaalsContact O-CG 3.3Å; V131-E135 WeakPolarHBondContact O-CG 3.36Å; V131-E135 PolarHBondContact O-N 2.69Å; V131-L168 HydrophobicContact CG1-CD1 3.81Å; V131-L168 HydrophobicContact CG1-CD2 3.93Å; V131-W175 HydrophobicContact CB-CD2 4.14Å; V131-W175 HydrophobicContact CB-CG 4.47Å; V131-W175 HydrophobicContact CB-CZ2 3.93Å; V131-W175 HydrophobicContact CG1-CD2 3.61Å; V131-W175 HydrophobicContact CG1-CE3 3.91Å; V131-W175 HydrophobicContact CG1-CG 4Å; V131-W175 HydrophobicContact CG1-CH2 4.31Å; V131-W175 HydrophobicContact CG1-CZ2 4.04Å; V131-W175 HydrophobicContact CG1-CZ3 4.24Å; V131-W175 HydrophobicContact CG2-CH2 4.44Å; V131-W175 HydrophobicContact CG2-CZ2 3.98Å
132S98.7Very high98.3Very high68 Ų6833 Ų3348%0.47618%0.177SC..Hα-helixtrans-63-45.2176.8-59.30000111.4D128 V129 E135 E136D128-S132 VanDerWaalsContact O-CB 3.27Å; D128-S132 WeakPolarHBondContact O-CB 3.12Å; D128-S132 PolarHBondContact O-N 2.94Å; D128-S132 PolarHBondContact O-OG 3.02Å; V129-S132 PolarHBondContact O-N 3.42Å; S132-E135 PolarHBondContact O-N 3.21Å; S132-E136 WeakPolarHBondContact O-CB 3.42Å; S132-E136 PolarHBondContact O-N 2.86Å
133L98.8Very high98.1Very high12 Ų1231 Ų316%0.06316%0.163CC..Hα-helixtrans-69.6-35.6178.4-68.9169.6000112.4I59 L107 L112 L115 V129 I130 E136 H137I59-L133 HydrophobicContact CD1-CD2 3.84Å; L107-L133 HydrophobicContact CD1-CB 4.08Å; L112-L133 HydrophobicContact CD2-CB 3.68Å; L112-L133 HydrophobicContact CD2-CD1 4.48Å; L115-L133 HydrophobicContact CB-CD1 3.67Å; L115-L133 HydrophobicContact CD1-CD1 3.89Å; L115-L133 HydrophobicContact CG-CD1 4.21Å; V129-L133 HydrophobicContact CG1-CD1 3.63Å; V129-L133 HydrophobicContact CG1-CG 4.46Å; V129-L133 WeakPolarHBondContact O-CB 3.38Å; V129-L133 VanDerWaalsContact O-CG 3.29Å; V129-L133 WeakPolarHBondContact O-CG 3.42Å; V129-L133 PolarHBondContact O-N 2.9Å; I130-L133 PolarHBondContact O-N 3.13Å; L133-E136 PolarHBondContact O-N 3.22Å; L133-H137 WeakPolarHBondContact O-CB 3.35Å; L133-H137 PolarHBondContact O-N 3.16Å
134L98.6Very high98Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-62.6-44.3173.5179.169.3000111.5L112 I130 V131 G138 Q139 T170 G172 W175L112-L134 HydrophobicContact CD1-CB 4.36Å; L112-L134 HydrophobicContact CD1-CD1 4.07Å; I130-L134 VanDerWaalsContact O-CB 3.26Å; I130-L134 WeakPolarHBondContact O-CB 3.33Å; I130-L134 PolarHBondContact O-N 3.27Å; V131-L134 PolarHBondContact O-N 3.09Å; L134-G138 WeakPolarHBondContact O-CA 3.26Å; L134-G138 PolarHBondContact O-N 3.28Å; L134-Q139 HydrophobicContact CD1-CB 3.68Å; L134-Q139 HydrophobicContact CD1-CG 3.84Å; L134-T170 HydrophobicContact CD2-CG2 3.66Å; L134-G172 WeakPolarHBondContact CD1-O 3.46Å; L134-W175 HydrophobicContact CD2-CB 4.39Å
135E98.1Very high97.8Very high87 Ų8728.9 Ų28.941%0.40715%0.154SC..Hα-helixtrans-66.8-37.5178.9-74.6176.3-17200112.2V131 S132 W175 H201V131-E135 WeakPolarHBondContact O-CB 3.49Å; V131-E135 VanDerWaalsContact O-CG 3.3Å; V131-E135 WeakPolarHBondContact O-CG 3.36Å; V131-E135 PolarHBondContact O-N 2.69Å; S132-E135 PolarHBondContact O-N 3.21Å; E135-W175 PolarHBondContact OE1-NE1 3.13Å; E135-H201 IonicContact OE1-CD2 3.48Å; E135-H201 PolarHBondContact OE1-CD2 3.15Å; E135-H201 VanDerWaalsContact OE1-CD2 3.32Å; E135-H201 IonicContact OE1-NE2 3.47Å
136E98.1Very high97.5Very high130 Ų13027 Ų2761%0.60715%0.147SC*.Hα-helixtrans-77.5-44.4-178.7-171.5176.616500113.2S132 L133S132-E136 WeakPolarHBondContact O-CB 3.42Å; S132-E136 PolarHBondContact O-N 2.86Å; L133-E136 PolarHBondContact O-N 3.22Å
137H98.2Very high97.2Very high51 Ų5129.2 Ų29.224%0.23617%0.165CC..Hα-helixtrans-111.5-13-169.4-57.5-54.4000114I57 L107 L133I57-H137 HydrophobicContact CD1-CB 4.01Å; L107-H137 HydrophobicContact CD1-CB 3.88Å; L107-H137 HydrophobicContact CG-CB 4.04Å; L133-H137 WeakPolarHBondContact O-CB 3.35Å; L133-H137 PolarHBondContact O-N 3.16Å
138G97.6Very high96.8Very high20 Ų2036.1 Ų36.121%0.20620%0.202CC..  trans71.2-176.7-174.400000113.3L134L134-G138 WeakPolarHBondContact O-CA 3.26Å; L134-G138 PolarHBondContact O-N 3.28Å
139Q97.8Very high96.3Very high12 Ų1236.3 Ų36.36%0.05621%0.208CC..BIsolated β-bridgetrans-130.5143.3172.168.2-177.2-66.900111.5L107 L134 T170 G172L107-Q139 WeakPolarHBondContact O-CA 3.38Å; L134-Q139 HydrophobicContact CD1-CB 3.68Å; L134-Q139 HydrophobicContact CD1-CG 3.84Å; Q139-T170 VanDerWaalsContact NE2-CB 3.28Å; Q139-T170 PolarHBondContact NE2-OG1 3.3Å; Q139-T170 PolarHBondContact OE1-OG1 2.9Å; Q139-G172 PolarHBondContact NE2-O 2.76Å
140G97Very high95.9Very high5 Ų537.3 Ų37.35%0.05222%0.216CC..BIsolated β-bridgetrans159.1174.6179.400000114.9A102 I104 A106 L107 L108A102-G140 WeakPolarHBondContact O-CA 3.17Å; I104-G140 CarbonylContact O-C 3.57Å; I104-G140 WeakPolarHBondContact O-CA 3.25Å; A106-G140 PolarHBondContact N-O 3.42Å; L107-G140 PolarHBondContact O-N 2.66Å; L107-G140 VanDerWaalsContact O-N 3.13Å; L108-G140 WeakPolarHBondContact CD2-O 3.48Å
141G96.3Very high95.7Very high2 Ų239 Ų392%0.02122%0.224CC..SBendtrans110.7-175-175.400000112.3A102 I104 S152A102-G141 PolarHBondContact O-N 2.97Å; I104-G141 PolarHBondContact O-N 2.99Å; I104-G141 VanDerWaalsContact O-N 3.12Å; G141-S152 PolarHBondContact O-OG 3.07Å
142N96.1Very high95.5Very high14 Ų1439.7 Ų39.78%0.07523%0.229CC..  trans-75.6129.2-178.2-158.8-8.5000110.5Y56 F144 D146 S149 H151 F337Y56-N142 WeakPolarHBondContact OH-CB 3.37Å; Y56-N142 PolarHBondContact OH-O 3.15Å; N142-F144 PolarHBondContact ND2-O 3.47Å; N142-F144 PolarHBondContact OD1-N 2.84Å; N142-F144 PolarHBondContact OD1-O 3.09Å; N142-D146 PolarHBondContact ND2-O 2.77Å; N142-S149 PolarHBondContact ND2-O 3.44Å; N142-H151 PolarHBondContact OD1-N 3.27Å; N142-F337 HydrophobicContact CB-CE2 4.2Å
143Y96Very high95.4Very high4 Ų437 Ų372%0.01621%0.209CC..SBendtrans-84.5-19178.1-165.7-82.4000111.7P5 R30 W75 E80 N92 A94 M110 H151 F153P5-Y143 HydrophobicContact CG-CE1 3.99Å; R30-Y143 PolarHBondContact NH2-O 3.24Å; W75-Y143 WeakPolarHBondContact CZ2-O 3.28Å; E80-Y143 PolarHBondContact OE1-OH 3.05Å; N92-Y143 PolarHBondContact ND2-OH 3.48Å; A94-Y143 HydrophobicContact CB-CE1 4.38Å; A94-Y143 HydrophobicContact CB-CE2 3.81Å; M110-Y143 HydrophobicContact CE-CD2 3.62Å; M110-Y143 HydrophobicContact CE-CE2 3.21Å; M110-Y143 HydrophobicContact SD-CD2 4.03Å; M110-Y143 HydrophobicContact SD-CE1 4.21Å; M110-Y143 HydrophobicContact SD-CE2 3.46Å; M110-Y143 WeakPolarHBondContact SD-CE2 3.46Å; M110-Y143 VanDerWaalsContact SD-CZ 3.52Å; Y143-H151 WeakPolarHBondContact CA-O 3.19Å; Y143-H151 WeakPolarHBondContact CB-O 3.45Å; Y143-H151 PolarHBondContact N-O 3.21Å; Y143-F153 AromaticContact CD1-CD2 3.96Å; Y143-F153 HydrophobicContact CD1-CD2 3.96Å; Y143-F153 HydrophobicContact CD1-CE2 4.06Å; Y143-F153 HydrophobicContact CD2-CB 4.4Å; Y143-F153 AromaticContact CD2-CD2 3.69Å; Y143-F153 HydrophobicContact CD2-CD2 3.69Å; Y143-F153 HydrophobicContact CE2-CD2 4.34Å; Y143-F153 AromaticContact CG-CD2 3.48Å; Y143-F153 HydrophobicContact CG-CD2 3.48Å; Y143-F153 VanDerWaalsContact CG-CD2 3.48Å; Y143-F153 AromaticContact CG-CE2 3.92Å; Y143-F153 HydrophobicContact CG-CE2 3.92Å
144F95.6Very high95.3Very high12 Ų1236.5 Ų36.55%0.05321%0.206CC..SBendtrans-118.7155.2-179.5-55.3-41.7000112P5 P31 E34 N142 D146 H151 F153 F272P5-F144 HydrophobicContact CG-CE1 4.21Å; P5-F144 HydrophobicContact CG-CZ 4.21Å; P31-F144 VanDerWaalsContact CD-CD1 3.43Å; P31-F144 HydrophobicContact CG-CB 4.22Å; P31-F144 HydrophobicContact CG-CD1 3.43Å; P31-F144 VanDerWaalsContact CG-CD1 3.43Å; P31-F144 HydrophobicContact CG-CD2 4.04Å; P31-F144 HydrophobicContact CG-CE1 3.72Å; P31-F144 HydrophobicContact CG-CE2 4.32Å; P31-F144 HydrophobicContact CG-CG 3.64Å; P31-F144 HydrophobicContact CG-CZ 4.18Å; E34-F144 VanDerWaalsContact OE1-CA 3.31Å; E34-F144 WeakPolarHBondContact OE1-CA 3.46Å; N142-F144 PolarHBondContact ND2-O 3.47Å; N142-F144 PolarHBondContact OD1-N 2.84Å; N142-F144 PolarHBondContact OD1-O 3.09Å; F144-D146 HydrophobicContact CB-CB 4.4Å; F144-D146 PolarHBondContact O-N 3.24Å; F144-H151 HydrophobicContact CD2-CB 3.5Å; F144-H151 VanDerWaalsContact CD2-CB 3.5Å; F144-H151 AromaticContact CD2-CD2 3.51Å; F144-H151 AromaticContact CD2-CG 3.38Å; F144-H151 AromaticContact CD2-ND1 3.93Å; F144-H151 HydrophobicContact CE2-CB 3.74Å; F144-H151 AromaticContact CE2-CG 3.79Å; F144-H151 AromaticContact CE2-ND1 4Å; F144-H151 HydrophobicContact CG-CB 4.32Å; F144-F153 HydrophobicContact CE1-CE2 4.36Å; F144-F153 AromaticContact CE2-CE2 3.97Å; F144-F153 HydrophobicContact CE2-CE2 3.97Å; F144-F153 HydrophobicContact CE2-CZ 4.14Å; F144-F153 AromaticContact CZ-CE2 3.71Å; F144-F153 HydrophobicContact CZ-CE2 3.71Å; F144-F153 HydrophobicContact CZ-CZ 4.09Å; F144-F272 HydrophobicContact CE1-CE1 4.36Å; F144-F272 HydrophobicContact CE2-CE1 4.2Å; F144-F272 HydrophobicContact CE2-CZ 4.48Å; F144-F272 AromaticContact CZ-CE1 3.69Å; F144-F272 HydrophobicContact CZ-CE1 3.69Å; F144-F272 HydrophobicContact CZ-CZ 4.12Å
145E95Very high95.2Very high11 Ų1136.6 Ų36.65%0.05121%0.207CC..SBendtrans-73.271.7166.9-168.4178.2-15000110.4E34 W75 F337 R343E34-E145 PolarHBondContact OE1-N 3.13Å; W75-E145 HydrophobicContact CB-CG 4.45Å; W75-E145 HydrophobicContact CD2-CB 4.2Å; W75-E145 HydrophobicContact CG-CB 3.95Å; W75-E145 HydrophobicContact CG-CG 4.33Å; E145-F337 HydrophobicContact CB-CD1 4.29Å; E145-F337 HydrophobicContact CB-CE1 4.39Å; E145-F337 HydrophobicContact CG-CD1 3.54Å; E145-F337 HydrophobicContact CG-CE1 3.98Å; E145-F337 HydrophobicContact CG-CG 4.22Å; E145-R343 IonicContact OE1-CZ 3.56Å; E145-R343 IonicContact OE1-NE 3.78Å; E145-R343 PolarHBondContact OE1-NE 3.32Å; E145-R343 IonicContact OE1-NH2 3.59Å; E145-R343 PolarHBondContact OE1-NH2 3.05Å; E145-R343 IonicContact OE2-NE 2.61Å; E145-R343 PolarHBondContact OE2-NE 2.89Å
146D93.1Very high95.2Very high41 Ų4132.5 Ų32.522%0.21919%0.187CC..  trans-138119.2-178.1-176.39.5000111.5N142 F144 N148 H151N142-D146 PolarHBondContact ND2-O 2.77Å; F144-D146 HydrophobicContact CB-CB 4.4Å; F144-D146 PolarHBondContact O-N 3.24Å; D146-N148 WeakPolarHBondContact OD1-CB 3.31Å; D146-N148 PolarHBondContact OD1-N 3.23Å; D146-N148 PolarHBondContact OD1-ND2 3.45Å; D146-H151 IonicContact OD2-CD2 3.7Å; D146-H151 IonicContact OD2-CE1 2.99Å; D146-H151 IonicContact OD2-NE2 3.67Å; D146-H151 PolarHBondContact OD2-NE2 3.42Å
147A91.3Very high95.2Very high46 Ų4626.3 Ų26.338%0.3816%0.158SC..SBendtrans-80.5-16.7175.300000114.1F337A147-F337 HydrophobicContact CB-CB 4.05Å; A147-F337 WeakPolarHBondContact CB-O 3.27Å
148N90.4Very high95.2Very high146 Ų14623.9 Ų23.978%0.78115%0.147SC*.SBendtrans-85.1-21.3-172.1-56.3-68.7000112.7D146D146-N148 WeakPolarHBondContact OD1-CB 3.31Å; D146-N148 PolarHBondContact OD1-N 3.23Å; D146-N148 PolarHBondContact OD1-ND2 3.45Å
149S89.9Confident95.3Very high65 Ų6522.9 Ų22.946%0.45514%0.137SC..  trans-155.3139.7-176.3-68.80000110.2N142 H151N142-S149 PolarHBondContact ND2-O 3.44Å; S149-H151 PolarHBondContact O-CD2 2.73Å; S149-H151 VanDerWaalsContact O-CD2 3.23Å
150C90.6Very high95.4Very high49 Ų4922.3 Ų22.333%0.33114%0.135SC..  trans-86.6115.3170.1-166.70000108.6E103 S152E103-C150 HydrophobicContact CG-CB 4.26Å; C150-S152 PolarHBondContact SG-OG 2.78Å
151H93.5Very high95.4Very high37 Ų3722.7 Ų22.717%0.17114%0.135CC..  trans-103.196.5178.2-56.2-95000108.4A2 N142 Y143 F144 D146 S149 F153A2-H151 HydrophobicContact CB-CB 4.41Å; N142-H151 PolarHBondContact OD1-N 3.27Å; Y143-H151 WeakPolarHBondContact CA-O 3.19Å; Y143-H151 WeakPolarHBondContact CB-O 3.45Å; Y143-H151 PolarHBondContact N-O 3.21Å; F144-H151 HydrophobicContact CD2-CB 3.5Å; F144-H151 VanDerWaalsContact CD2-CB 3.5Å; F144-H151 AromaticContact CD2-CD2 3.51Å; F144-H151 AromaticContact CD2-CG 3.38Å; F144-H151 AromaticContact CD2-ND1 3.93Å; F144-H151 HydrophobicContact CE2-CB 3.74Å; F144-H151 AromaticContact CE2-CG 3.79Å; F144-H151 AromaticContact CE2-ND1 4Å; F144-H151 HydrophobicContact CG-CB 4.32Å; D146-H151 IonicContact OD2-CD2 3.7Å; D146-H151 IonicContact OD2-CE1 2.99Å; D146-H151 IonicContact OD2-NE2 3.67Å; D146-H151 PolarHBondContact OD2-NE2 3.42Å; S149-H151 PolarHBondContact O-CD2 2.73Å; S149-H151 VanDerWaalsContact O-CD2 3.23Å; H151-F153 HydrophobicContact CB-CE2 4.06Å; H151-F153 HydrophobicContact CB-CZ 4.21Å
152S95Very high95.5Very high21 Ų2123.9 Ų23.915%0.14714%0.139CC..  trans-104.8136.6-178.6-56.90000111.3A102 E103 G141 C150A102-S152 WeakPolarHBondContact O-CB 3.24Å; A102-S152 PolarHBondContact O-OG 3.11Å; E103-S152 WeakPolarHBondContact CA-OG 3.44Å; G141-S152 PolarHBondContact O-OG 3.07Å; C150-S152 PolarHBondContact SG-OG 2.78Å
153F96.1Very high95.6Very high12 Ų1226.7 Ų26.75%0.05315%0.154CC..  trans-131.6153.9178.8-53.8-71.9000110.6A2 A4 A94 A101 Y143 F144 H151A2-F153 HydrophobicContact CB-CE1 3.95Å; A2-F153 HydrophobicContact CB-CZ 3.86Å; A4-F153 VanDerWaalsContact CA-CE1 3.43Å; A4-F153 HydrophobicContact CB-CD1 3.86Å; A4-F153 HydrophobicContact CB-CE1 4.07Å; A4-F153 HydrophobicContact CB-CG 4.46Å; A94-F153 HydrophobicContact CB-CB 3.97Å; A94-F153 HydrophobicContact CB-CD2 4.17Å; A94-F153 HydrophobicContact CB-CG 4.08Å; A101-F153 WeakPolarHBondContact CB-O 3.37Å; Y143-F153 AromaticContact CD1-CD2 3.96Å; Y143-F153 HydrophobicContact CD1-CD2 3.96Å; Y143-F153 HydrophobicContact CD1-CE2 4.06Å; Y143-F153 HydrophobicContact CD2-CB 4.4Å; Y143-F153 AromaticContact CD2-CD2 3.69Å; Y143-F153 HydrophobicContact CD2-CD2 3.69Å; Y143-F153 HydrophobicContact CE2-CD2 4.34Å; Y143-F153 AromaticContact CG-CD2 3.48Å; Y143-F153 HydrophobicContact CG-CD2 3.48Å; Y143-F153 VanDerWaalsContact CG-CD2 3.48Å; Y143-F153 AromaticContact CG-CE2 3.92Å; Y143-F153 HydrophobicContact CG-CE2 3.92Å; F144-F153 HydrophobicContact CE1-CE2 4.36Å; F144-F153 AromaticContact CE2-CE2 3.97Å; F144-F153 HydrophobicContact CE2-CE2 3.97Å; F144-F153 HydrophobicContact CE2-CZ 4.14Å; F144-F153 AromaticContact CZ-CE2 3.71Å; F144-F153 HydrophobicContact CZ-CE2 3.71Å; F144-F153 HydrophobicContact CZ-CZ 4.09Å; H151-F153 HydrophobicContact CB-CE2 4.06Å; H151-F153 HydrophobicContact CB-CZ 4.21Å
154Q96.4Very high95.8Very high2 Ų228 Ų281%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-78168.9164.9-55.8-70.4-3.800107.9I95 T97 E99 A101 T170I95-Q154 HydrophobicContact CD1-CB 4.05Å; I95-Q154 VanDerWaalsContact CG1-C 3.46Å; I95-Q154 HydrophobicContact CG1-CB 3.82Å; I95-Q154 VanDerWaalsContact CG1-O 3.3Å; I95-Q154 WeakPolarHBondContact CG1-O 3.29Å; I95-Q154 PolarHBondContact N-O 3.2Å; I95-Q154 PolarHBondContact O-N 2.84Å; I95-Q154 VanDerWaalsContact O-N 3.16Å; T97-Q154 HydrophobicContact CG2-CB 3.94Å; T97-Q154 HydrophobicContact CG2-CG 3.79Å; E99-Q154 PolarHBondContact O-NE2 3.47Å; A101-Q154 HydrophobicContact CB-CG 4.19Å; Q154-T170 WeakPolarHBondContact CB-O 3.49Å
155S97.4Very high95.9Very high2 Ų227.4 Ų27.41%0.01416%0.158CC..EExtended strand (participates in β ladder)trans-123.7139.2-178.9-61.10000113.3N92 E93 Y157 T170N92-S155 PolarHBondContact OD1-OG 3.05Å; E93-S155 CarbonylContact O-C 3.17Å; E93-S155 WeakPolarHBondContact O-CA 3.19Å; S155-Y157 VanDerWaalsContact CB-CZ 3.45Å; S155-Y157 VanDerWaalsContact CB-OH 3.23Å; S155-Y157 WeakPolarHBondContact CB-OH 3.27Å; S155-T170 PolarHBondContact N-OG1 2.77Å; S155-T170 WeakPolarHBondContact O-CB 3.28Å; S155-T170 PolarHBondContact O-N 3.05Å; S155-T170 PolarHBondContact O-OG1 2.87Å
156A97.9Very high96.1Very high0 Ų027.5 Ų27.50%016%0.158CC..EExtended strand (participates in β ladder)trans-109155.1161.500000109.1N92 E93 I95 L168 E169N92-A156 CarbonylContact C-O 3.48Å; E93-A156 HydrophobicContact CB-CB 4.08Å; E93-A156 PolarHBondContact N-O 3.05Å; E93-A156 PolarHBondContact O-N 3.22Å; I95-A156 HydrophobicContact CD1-CB 4.14Å; I95-A156 HydrophobicContact CG1-CB 4.41Å; I95-A156 HydrophobicContact CG2-CB 3.83Å; A156-L168 CarbonylContact C-O 3.57Å; A156-L168 VanDerWaalsContact CA-O 3.27Å; A156-L168 WeakPolarHBondContact CA-O 3.44Å; A156-E169 HydrophobicContact CB-CG 3.91Å
157Y98.7Very high96.4Very high0 Ų025.5 Ų25.50%015%0.147CC..EExtended strand (participates in β ladder)trans-136.8141.9-178-49.6-93.7000110.8A91 N92 G109 L112 V113 I130 S155 V167 L168 T170A91-Y157 WeakPolarHBondContact O-CA 3.4Å; N92-Y157 HydrophobicContact CB-CD1 4.38Å; N92-Y157 HydrophobicContact CB-CE1 4.36Å; G109-Y157 WeakPolarHBondContact CA-OH 3.37Å; G109-Y157 WeakPolarHBondContact O-CE1 3.32Å; L112-Y157 HydrophobicContact CB-CE1 4.35Å; L112-Y157 WeakPolarHBondContact CD1-OH 3.31Å; V113-Y157 HydrophobicContact CG2-CD1 4.03Å; V113-Y157 HydrophobicContact CG2-CE1 4.04Å; I130-Y157 HydrophobicContact CG2-CE2 4.34Å; S155-Y157 VanDerWaalsContact CB-CZ 3.45Å; S155-Y157 VanDerWaalsContact CB-OH 3.23Å; S155-Y157 WeakPolarHBondContact CB-OH 3.27Å; Y157-V167 WeakPolarHBondContact O-CA 3.2Å; Y157-L168 HydrophobicContact CD2-CB 4.19Å; Y157-L168 HydrophobicContact CD2-CD2 3.77Å; Y157-L168 HydrophobicContact CD2-CG 3.91Å; Y157-L168 HydrophobicContact CE2-CD2 4.29Å; Y157-L168 HydrophobicContact CG-CD2 4.46Å; Y157-L168 PolarHBondContact N-O 3.34Å; Y157-L168 PolarHBondContact O-N 3.37Å; Y157-T170 HydrophobicContact CD2-CG2 4.32Å; Y157-T170 HydrophobicContact CE2-CG2 3.77Å
158L98.7Very high96.7Very high0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-111.8113.1162.9-176.462.1000107.8C9 V11 F24 I90 A91 V160 A165 V167 I187C9-L158 HydrophobicContact CB-CB 4.23Å; C9-L158 HydrophobicContact CB-CD2 3.89Å; V11-L158 HydrophobicContact CB-CD2 4.06Å; V11-L158 HydrophobicContact CG1-CD1 3.97Å; V11-L158 HydrophobicContact CG1-CD2 4.05Å; V11-L158 HydrophobicContact CG1-CG 4.49Å; F24-L158 HydrophobicContact CD2-CD2 4.12Å; F24-L158 HydrophobicContact CE2-CD2 4.09Å; F24-L158 HydrophobicContact CE2-CG 4.29Å; I90-L158 WeakPolarHBondContact CA-O 3.1Å; A91-L158 HydrophobicContact CB-CB 4.46Å; A91-L158 PolarHBondContact N-O 2.88Å; A91-L158 PolarHBondContact O-N 2.84Å; L158-V160 HydrophobicContact CD1-CG2 4.13Å; L158-V160 HydrophobicContact CD2-CG2 4.36Å; L158-V160 HydrophobicContact CG-CG2 3.76Å; L158-A165 HydrophobicContact CD1-CB 4.28Å; L158-V167 HydrophobicContact CD1-CG2 4.04Å; L158-I187 HydrophobicContact CB-CD1 3.63Å; L158-I187 HydrophobicContact CB-CG1 4.1Å
159I98.9Very high97.1Very high0 Ų016.4 Ų16.40%09%0.092CC..EExtended strand (participates in β ladder)trans-113.6122.7-176.2-53.6166000106.8V88 C89 I90 A123 A126 L127 I130 A165 W166 L168V88-I159 HydrophobicContact CG1-CG2 4.37Å; C89-I159 CarbonylContact O-C 3.57Å; C89-I159 WeakPolarHBondContact O-CA 3.48Å; I90-I159 HydrophobicContact CD1-CG2 4.35Å; I90-I159 HydrophobicContact CG1-CG1 4.49Å; I90-I159 HydrophobicContact CG1-CG2 4.08Å; I90-I159 HydrophobicContact CG2-CG1 4.14Å; A123-I159 HydrophobicContact CB-CG2 3.91Å; A123-I159 VanDerWaalsContact O-CG2 3.28Å; A123-I159 WeakPolarHBondContact O-CG2 3.4Å; A126-I159 HydrophobicContact CB-CG2 3.92Å; L127-I159 HydrophobicContact CB-CD1 3.81Å; L127-I159 HydrophobicContact CG-CD1 4.39Å; I130-I159 HydrophobicContact CD1-CD1 3.85Å; I130-I159 HydrophobicContact CD1-CG1 4.4Å; I159-A165 CarbonylContact O-C 3.52Å; I159-A165 WeakPolarHBondContact O-CA 3.23Å; I159-W166 HydrophobicContact CB-CB 4.37Å; I159-W166 PolarHBondContact N-O 3.29Å; I159-W166 PolarHBondContact O-N 2.87Å; I159-L168 HydrophobicContact CD1-CB 4.36Å; I159-L168 HydrophobicContact CD1-CD2 4.3Å
160V98.9Very high97.5Very high0 Ų013.3 Ų13.30%07%0.07CC..EExtended strand (participates in β ladder)trans-137139.7-167.3-173.90000110.8V11 F13 V22 F24 V88 C89 L158 A165 L282V11-V160 HydrophobicContact CB-CG2 4.14Å; V11-V160 HydrophobicContact CG2-CG1 3.69Å; V11-V160 HydrophobicContact CG2-CG2 4.05Å; F13-V160 HydrophobicContact CZ-CG1 4.31Å; V22-V160 HydrophobicContact CG1-CG1 3.87Å; F24-V160 HydrophobicContact CD2-CB 4.37Å; F24-V160 HydrophobicContact CD2-CG2 3.74Å; F24-V160 HydrophobicContact CE2-CG2 4.28Å; V88-V160 CarbonylContact C-O 3.53Å; V88-V160 WeakPolarHBondContact CA-O 3.06Å; C89-V160 HydrophobicContact CB-CB 4.44Å; C89-V160 PolarHBondContact N-O 3.31Å; C89-V160 PolarHBondContact O-N 3.13Å; L158-V160 HydrophobicContact CD1-CG2 4.13Å; L158-V160 HydrophobicContact CD2-CG2 4.36Å; L158-V160 HydrophobicContact CG-CG2 3.76Å; V160-A165 HydrophobicContact CB-CB 4.4Å; V160-A165 HydrophobicContact CG1-CB 4.34Å; V160-A165 HydrophobicContact CG2-CB 3.83Å; V160-L282 HydrophobicContact CG1-CD1 4.04Å
161D98.8Very high97.8Very high12 Ų1211 Ų116%0.0646%0.055CC..  trans-130.3-161.216466.430.1000110.8A123 D163 E164A123-D161 HydrophobicContact CB-CB 3.99Å; A123-D161 WeakPolarHBondContact CB-OD2 3.21Å; A123-D161 PolarHBondContact N-OD2 3.38Å; D161-D163 VanDerWaalsContact C-N 3.27Å; D161-D163 PolarHBondContact O-N 2.61Å; D161-D163 PolarHBondContact OD1-N 2.85Å; D161-E164 PolarHBondContact N-O 2.84Å; D161-E164 PolarHBondContact OD1-N 3.08Å
162R98.3Very high97.9Very high27 Ų2710 Ų1010%0.1025%0.054CC..SBendtrans-70-21.9-177.9-67.1177.4-178.1-117.97.2113.8V22 L282 P283 N285 S288 C290V22-R162 WeakPolarHBondContact CG2-O 3.22Å; R162-L282 HydrophobicContact CG-CB 4Å; R162-P283 WeakPolarHBondContact CD-O 3.29Å; R162-P283 WeakPolarHBondContact CG-O 3.21Å; R162-P283 PolarHBondContact NH1-O 3.38Å; R162-N285 PolarHBondContact NH1-O 2.87Å; R162-S288 PolarHBondContact NH1-O 2.75Å; R162-S288 PolarHBondContact NH2-O 2.87Å; R162-C290 VanDerWaalsContact CZ-SG 3.53Å; R162-C290 PolarHBondContact NH2-SG 3.4Å
163D98.1Very high98Very high73 Ų7313 Ų1339%0.397%0.065SC..SBendtrans-114.4-32.3-168.5-58.8-57.3000112.1D161 R286D161-D163 VanDerWaalsContact C-N 3.27Å; D161-D163 PolarHBondContact O-N 2.61Å; D161-D163 PolarHBondContact OD1-N 2.85Å; D163-R286 IonicContact OD1-NH2 2.56Å; D163-R286 IonicContact OD2-CZ 3.33Å; D163-R286 IonicContact OD2-NH2 2.96Å; D163-R286 PolarHBondContact OD2-NH2 3.1Å
164E98.6Very high98.1Very high31 Ų3113.7 Ų13.715%0.1457%0.067CC..  trans-151.8161.3-173.862-168.5-124.200113.6F13 A123 D161 W166 K179 T181F13-E164 VanDerWaalsContact CZ-C 3.46Å; A123-E164 HydrophobicContact CB-CG 4.36Å; D161-E164 PolarHBondContact N-O 2.84Å; D161-E164 PolarHBondContact OD1-N 3.08Å; E164-W166 PolarHBondContact OE1-NE1 2.95Å; E164-K179 VanDerWaalsContact CD-CE 3.46Å; E164-K179 IonicContact OE1-NZ 3.08Å; E164-K179 WeakPolarHBondContact OE2-CE 3.48Å; E164-K179 IonicContact OE2-NZ 3.44Å; E164-K179 PolarHBondContact OE2-NZ 2.99Å; E164-T181 HydrophobicContact CB-CG2 4.12Å
165A98.7Very high98.2Very high0 Ų014.6 Ų14.60%07%0.071CC..EExtended strand (participates in β ladder)trans-125.3151.2168.100000110V11 F13 L158 I159 V160 V180V11-A165 HydrophobicContact CG1-CB 4.04Å; F13-A165 HydrophobicContact CE2-CB 3.7Å; F13-A165 HydrophobicContact CZ-CB 3.75Å; L158-A165 HydrophobicContact CD1-CB 4.28Å; I159-A165 CarbonylContact O-C 3.52Å; I159-A165 WeakPolarHBondContact O-CA 3.23Å; V160-A165 HydrophobicContact CB-CB 4.4Å; V160-A165 HydrophobicContact CG1-CB 4.34Å; V160-A165 HydrophobicContact CG2-CB 3.83Å; A165-V180 HydrophobicContact CB-CB 4.32Å; A165-V180 PolarHBondContact N-O 3.03Å; A165-V180 PolarHBondContact O-N 2.82Å
166W98.9Very high98.2Very high13 Ų1314.5 Ų14.55%0.0497%0.07CC..EExtended strand (participates in β ladder)trans-123.3126.4171.9-70.886.3000109.5K124 L127 I159 E164 A177 E178 K179 D198 A199K124-W166 HydrophobicContact CD-CH2 4.31Å; K124-W166 HydrophobicContact CD-CZ2 3.64Å; L127-W166 HydrophobicContact CD1-CB 3.63Å; L127-W166 HydrophobicContact CD1-CD2 3.69Å; L127-W166 HydrophobicContact CD1-CE3 3.62Å; L127-W166 HydrophobicContact CD1-CG 3.72Å; L127-W166 HydrophobicContact CD1-CZ3 4.44Å; I159-W166 HydrophobicContact CB-CB 4.37Å; I159-W166 PolarHBondContact N-O 3.29Å; I159-W166 PolarHBondContact O-N 2.87Å; E164-W166 PolarHBondContact OE1-NE1 2.95Å; W166-A177 HydrophobicContact CE3-CB 3.92Å; W166-A177 HydrophobicContact CZ3-CB 4.26Å; W166-E178 WeakPolarHBondContact CA-O 3.3Å; W166-K179 HydrophobicContact CD2-CB 4.17Å; W166-K179 HydrophobicContact CD2-CG 4.45Å; W166-K179 HydrophobicContact CE3-CB 4.07Å; W166-K179 HydrophobicContact CH2-CB 3.77Å; W166-K179 HydrophobicContact CH2-CD 4.25Å; W166-K179 HydrophobicContact CH2-CG 4.33Å; W166-K179 HydrophobicContact CZ2-CB 3.82Å; W166-K179 HydrophobicContact CZ2-CD 3.72Å; W166-K179 HydrophobicContact CZ2-CG 3.88Å; W166-K179 HydrophobicContact CZ3-CB 3.89Å; W166-D198 HydrophobicContact CH2-CB 4.05Å; W166-D198 HydrophobicContact CZ3-CB 3.84Å; W166-A199 HydrophobicContact CZ3-CB 4.38Å
167V98.6Very high98.3Very high0 Ų014.5 Ų14.50%07%0.07CC..EExtended strand (participates in β ladder)trans-91.6115.3164.21770000106.7Y157 L158 E169 A177 E178 R185 I187 L193Y157-V167 WeakPolarHBondContact O-CA 3.2Å; L158-V167 HydrophobicContact CD1-CG2 4.04Å; V167-E169 HydrophobicContact CG1-CG 4.26Å; V167-A177 CarbonylContact O-C 3.57Å; V167-A177 WeakPolarHBondContact O-CA 3.49Å; V167-E178 PolarHBondContact N-O 2.9Å; V167-E178 PolarHBondContact O-N 3.48Å; V167-R185 HydrophobicContact CG2-CG 3.82Å; V167-I187 HydrophobicContact CG1-CG2 3.83Å; V167-I187 HydrophobicContact CG2-CG2 3.9Å; V167-L193 HydrophobicContact CB-CD2 4.1Å; V167-L193 HydrophobicContact CG1-CD2 3.82Å; V167-L193 HydrophobicContact CG1-CG 4.26Å
168L98.8Very high98.3Very high0 Ų015.3 Ų15.30%07%0.074CC..EExtended strand (participates in β ladder)trans-113.1123.2177.6170.167.5000108.7I130 V131 A156 Y157 I159 T170 W175 A177I130-L168 HydrophobicContact CB-CD2 4.25Å; I130-L168 HydrophobicContact CG2-CD2 3.55Å; V131-L168 HydrophobicContact CG1-CD1 3.81Å; V131-L168 HydrophobicContact CG1-CD2 3.93Å; A156-L168 CarbonylContact C-O 3.57Å; A156-L168 VanDerWaalsContact CA-O 3.27Å; A156-L168 WeakPolarHBondContact CA-O 3.44Å; Y157-L168 HydrophobicContact CD2-CB 4.19Å; Y157-L168 HydrophobicContact CD2-CD2 3.77Å; Y157-L168 HydrophobicContact CD2-CG 3.91Å; Y157-L168 HydrophobicContact CE2-CD2 4.29Å; Y157-L168 HydrophobicContact CG-CD2 4.46Å; Y157-L168 PolarHBondContact N-O 3.34Å; Y157-L168 PolarHBondContact O-N 3.37Å; I159-L168 HydrophobicContact CD1-CB 4.36Å; I159-L168 HydrophobicContact CD1-CD2 4.3Å; L168-T170 HydrophobicContact CD1-CG2 4.35Å; L168-T170 HydrophobicContact CD2-CG2 4.45Å; L168-T170 HydrophobicContact CG-CG2 4.08Å; L168-W175 HydrophobicContact CD1-CB 3.92Å; L168-W175 HydrophobicContact CD1-CD2 4.23Å; L168-W175 HydrophobicContact CD1-CE3 3.78Å; L168-W175 HydrophobicContact CD1-CG 4.32Å; L168-A177 HydrophobicContact CB-CB 4.48Å; L168-A177 HydrophobicContact CD1-CB 4.07Å
169E98.5Very high98.3Very high0 Ų018.6 Ų18.60%09%0.088CC..EExtended strand (participates in β ladder)trans-120131.8177.8-68.3175.4-173.500109.7A156 V167 W175 A176 L191 S192 L193 F222A156-E169 HydrophobicContact CB-CG 3.91Å; V167-E169 HydrophobicContact CG1-CG 4.26Å; E169-W175 VanDerWaalsContact O-CA 3.26Å; E169-W175 WeakPolarHBondContact O-CA 3.18Å; E169-A176 PolarHBondContact N-O 3.35Å; E169-A176 PolarHBondContact O-N 2.96Å; E169-L191 HydrophobicContact CB-CD2 4.1Å; E169-L191 HydrophobicContact CG-CD2 4.32Å; E169-L191 WeakPolarHBondContact OE2-CA 3.42Å; E169-S192 VanDerWaalsContact CD-N 3.29Å; E169-S192 WeakPolarHBondContact OE1-CA 3.41Å; E169-S192 VanDerWaalsContact OE1-CB 3.29Å; E169-S192 WeakPolarHBondContact OE1-CB 3.42Å; E169-S192 PolarHBondContact OE1-N 2.66Å; E169-S192 PolarHBondContact OE1-OG 3.04Å; E169-S192 PolarHBondContact OE2-N 2.9Å; E169-S192 VanDerWaalsContact OE2-N 3.15Å; E169-L193 HydrophobicContact CB-CD1 4.08Å; E169-L193 HydrophobicContact CB-CG 4.42Å; E169-L193 HydrophobicContact CG-CD1 4.17Å; E169-L193 HydrophobicContact CG-CG 4.06Å; E169-L193 PolarHBondContact OE1-N 2.9Å; E169-L193 WeakPolarHBondContact OE2-CB 3.22Å; E169-L193 WeakPolarHBondContact OE2-CG 3.42Å; E169-L193 PolarHBondContact OE2-N 2.83Å; E169-L193 VanDerWaalsContact OE2-N 3.12Å; E169-F222 HydrophobicContact CB-CE1 3.67Å; E169-F222 HydrophobicContact CB-CZ 4.08Å; E169-F222 WeakPolarHBondContact OE2-CE1 3.42Å
170T98.4Very high98.2Very high0 Ų019.2 Ų19.20%09%0.092CC..EExtended strand (participates in β ladder)trans-122.4147.3-169.369.60000112.2L134 Q139 Q154 S155 Y157 L168 Y174 W175L134-T170 HydrophobicContact CD2-CG2 3.66Å; Q139-T170 VanDerWaalsContact NE2-CB 3.28Å; Q139-T170 PolarHBondContact NE2-OG1 3.3Å; Q139-T170 PolarHBondContact OE1-OG1 2.9Å; Q154-T170 WeakPolarHBondContact CB-O 3.49Å; S155-T170 PolarHBondContact N-OG1 2.77Å; S155-T170 WeakPolarHBondContact O-CB 3.28Å; S155-T170 PolarHBondContact O-N 3.05Å; S155-T170 PolarHBondContact O-OG1 2.87Å; Y157-T170 HydrophobicContact CD2-CG2 4.32Å; Y157-T170 HydrophobicContact CE2-CG2 3.77Å; L168-T170 HydrophobicContact CD1-CG2 4.35Å; L168-T170 HydrophobicContact CD2-CG2 4.45Å; L168-T170 HydrophobicContact CG-CG2 4.08Å; T170-Y174 CarbonylContact C-O 3.53Å; T170-Y174 WeakPolarHBondContact CA-O 3.35Å; T170-W175 HydrophobicContact CG2-CB 4.03Å
171I97Very high98.1Very high0 Ų022.8 Ų22.80%011%0.114CC..EExtended strand (participates in β ladder)trans-141.998.3-179.5-57150.2000107.7T97 E99 K173 Y174 F222 F226T97-I171 HydrophobicContact CG2-CG1 4.24Å; E99-I171 HydrophobicContact CB-CG2 3.76Å; E99-I171 HydrophobicContact CG-CG2 4.38Å; I171-K173 PolarHBondContact O-N 2.81Å; I171-K173 VanDerWaalsContact O-N 3.16Å; I171-Y174 PolarHBondContact N-O 2.69Å; I171-Y174 WeakPolarHBondContact O-CB 3.4Å; I171-Y174 PolarHBondContact O-N 2.97Å; I171-F222 HydrophobicContact CD1-CE1 4.1Å; I171-F222 HydrophobicContact CD1-CE2 3.75Å; I171-F222 HydrophobicContact CD1-CZ 3.35Å; I171-F222 HydrophobicContact CG1-CZ 4.18Å; I171-F226 HydrophobicContact CD1-CB 3.51Å; I171-F226 HydrophobicContact CD1-CD1 3.45Å; I171-F226 VanDerWaalsContact CD1-CD1 3.45Å; I171-F226 HydrophobicContact CD1-CD2 3.38Å; I171-F226 HydrophobicContact CD1-CE1 3.86Å; I171-F226 HydrophobicContact CD1-CE2 3.8Å; I171-F226 HydrophobicContact CD1-CG 3.18Å; I171-F226 HydrophobicContact CD1-CZ 4.02Å; I171-F226 HydrophobicContact CG1-CB 4.45Å; I171-F226 HydrophobicContact CG1-CG 4.42Å
172G95.5Very high97.9Very high16 Ų1629.2 Ų29.217%0.16514%0.143CC..THydrogen-bonded Turntrans59.3-119.9-170.700000109.3L134 Q139L134-G172 WeakPolarHBondContact CD1-O 3.46Å; Q139-G172 PolarHBondContact NE2-O 2.76Å
173K96.1Very high97.7Very high85 Ų8529 Ų2937%0.3715%0.149SC..THydrogen-bonded Turntrans-87.6-12.5174.165.6169-172.2157.50114.3I171 E203I171-K173 PolarHBondContact O-N 2.81Å; I171-K173 VanDerWaalsContact O-N 3.16Å; K173-E203 IonicContact NZ-OE2 3.25Å; K173-E203 PolarHBondContact NZ-OE2 3.47Å
174Y98.1Very high97.5Very high26 Ų2626.7 Ų26.710%0.10214%0.138CC..EExtended strand (participates in β ladder)trans-86.9154.7-176.9-52.9-79.7000110.3T170 I171 H201 E203 L204 Y207T170-Y174 CarbonylContact C-O 3.53Å; T170-Y174 WeakPolarHBondContact CA-O 3.35Å; I171-Y174 PolarHBondContact N-O 2.69Å; I171-Y174 WeakPolarHBondContact O-CB 3.4Å; I171-Y174 PolarHBondContact O-N 2.97Å; Y174-H201 AromaticContact CD1-CE1 3.76Å; Y174-H201 AromaticContact CD1-CG 3.92Å; Y174-H201 AromaticContact CD1-ND1 3.49Å; Y174-H201 WeakPolarHBondContact CD1-ND1 3.36Å; Y174-H201 AromaticContact CE1-CE1 3.89Å; Y174-H201 AromaticContact CE1-ND1 3.98Å; Y174-E203 HydrophobicContact CE1-CB 4.05Å; Y174-L204 HydrophobicContact CG-CD1 4.49Å; Y174-Y207 HydrophobicContact CD1-CG 4.43Å; Y174-Y207 AromaticContact CD2-CD1 3.49Å; Y174-Y207 HydrophobicContact CD2-CD1 3.49Å; Y174-Y207 VanDerWaalsContact CD2-CD1 3.49Å; Y174-Y207 AromaticContact CD2-CE1 3.68Å; Y174-Y207 HydrophobicContact CD2-CE1 3.68Å; Y174-Y207 AromaticContact CD2-CG 3.94Å; Y174-Y207 HydrophobicContact CD2-CG 3.94Å; Y174-Y207 HydrophobicContact CE1-CD1 4.4Å; Y174-Y207 HydrophobicContact CE1-CD2 4.38Å; Y174-Y207 AromaticContact CE1-CG 3.93Å; Y174-Y207 HydrophobicContact CE1-CG 3.93Å; Y174-Y207 AromaticContact CE2-CD1 3.33Å; Y174-Y207 HydrophobicContact CE2-CD1 3.33Å; Y174-Y207 AromaticContact CE2-CD2 3.53Å; Y174-Y207 HydrophobicContact CE2-CD2 3.53Å; Y174-Y207 AromaticContact CE2-CE1 3.48Å; Y174-Y207 HydrophobicContact CE2-CE1 3.48Å; Y174-Y207 VanDerWaalsContact CE2-CE1 3.48Å; Y174-Y207 AromaticContact CE2-CE2 3.67Å; Y174-Y207 HydrophobicContact CE2-CE2 3.67Å; Y174-Y207 AromaticContact CE2-CG 3.35Å; Y174-Y207 HydrophobicContact CE2-CG 3.35Å; Y174-Y207 AromaticContact CE2-CZ 3.65Å; Y174-Y207 HydrophobicContact CG-CD1 4.1Å; Y174-Y207 HydrophobicContact CG-CG 4.44Å; Y174-Y207 AromaticContact CZ-CD1 3.82Å; Y174-Y207 AromaticContact CZ-CD2 3.45Å; Y174-Y207 VanDerWaalsContact CZ-CD2 3.45Å; Y174-Y207 AromaticContact CZ-CG 3.34Å; Y174-Y207 WeakPolarHBondContact OH-CD2 3.39Å
175W98.6Very high97.3Very high22 Ų2227.1 Ų27.18%0.08314%0.138CC..EExtended strand (participates in β ladder)trans-157.2158.2-176.957.3-92.8000111.5V131 L134 E135 L168 E169 T170 A177 A199 H201V131-W175 HydrophobicContact CB-CD2 4.14Å; V131-W175 HydrophobicContact CB-CG 4.47Å; V131-W175 HydrophobicContact CB-CZ2 3.93Å; V131-W175 HydrophobicContact CG1-CD2 3.61Å; V131-W175 HydrophobicContact CG1-CE3 3.91Å; V131-W175 HydrophobicContact CG1-CG 4Å; V131-W175 HydrophobicContact CG1-CH2 4.31Å; V131-W175 HydrophobicContact CG1-CZ2 4.04Å; V131-W175 HydrophobicContact CG1-CZ3 4.24Å; V131-W175 HydrophobicContact CG2-CH2 4.44Å; V131-W175 HydrophobicContact CG2-CZ2 3.98Å; L134-W175 HydrophobicContact CD2-CB 4.39Å; E135-W175 PolarHBondContact OE1-NE1 3.13Å; L168-W175 HydrophobicContact CD1-CB 3.92Å; L168-W175 HydrophobicContact CD1-CD2 4.23Å; L168-W175 HydrophobicContact CD1-CE3 3.78Å; L168-W175 HydrophobicContact CD1-CG 4.32Å; E169-W175 VanDerWaalsContact O-CA 3.26Å; E169-W175 WeakPolarHBondContact O-CA 3.18Å; T170-W175 HydrophobicContact CG2-CB 4.03Å; W175-A177 HydrophobicContact CE3-CB 4.45Å; W175-A177 HydrophobicContact CZ3-CB 4.32Å; W175-A199 HydrophobicContact CH2-CB 4.07Å; W175-A199 HydrophobicContact CZ3-CB 3.75Å; W175-H201 AromaticContact CD1-CD2 3.98Å; W175-H201 HydrophobicContact CD2-CB 4.29Å; W175-H201 HydrophobicContact CG-CB 4.14Å; W175-H201 AromaticContact NE1-CD2 3.76Å; W175-H201 PolarHBondContact O-N 2.84Å
176A98.7Very high97Very high0 Ų027.8 Ų27.80%014%0.143CC..EExtended strand (participates in β ladder)trans-136.8152167.300000109.4E169 L193 M197 E200 L204 F222E169-A176 PolarHBondContact N-O 3.35Å; E169-A176 PolarHBondContact O-N 2.96Å; A176-L193 VanDerWaalsContact C-CD1 3.44Å; A176-L193 HydrophobicContact CB-CD1 3.82Å; A176-L193 WeakPolarHBondContact O-CD1 3.2Å; A176-M197 HydrophobicContact CB-CG 4.11Å; A176-M197 HydrophobicContact CB-SD 3.8Å; A176-E200 HydrophobicContact CB-CB 4.43Å; A176-L204 HydrophobicContact CB-CD2 4.05Å; A176-F222 HydrophobicContact CB-CD2 3.54Å; A176-F222 HydrophobicContact CB-CE2 3.46Å; A176-F222 VanDerWaalsContact CB-CE2 3.46Å; A176-F222 HydrophobicContact CB-CG 4.21Å; A176-F222 HydrophobicContact CB-CZ 4.07Å
177A98.8Very high96.7Very high0 Ų027.2 Ų27.20%014%0.14CC..EExtended strand (participates in β ladder)trans-140.8143.7179.800000113.1L127 W166 V167 L168 W175 M197 D198 A199L127-A177 HydrophobicContact CD1-CB 3.75Å; W166-A177 HydrophobicContact CE3-CB 3.92Å; W166-A177 HydrophobicContact CZ3-CB 4.26Å; V167-A177 CarbonylContact O-C 3.57Å; V167-A177 WeakPolarHBondContact O-CA 3.49Å; L168-A177 HydrophobicContact CB-CB 4.48Å; L168-A177 HydrophobicContact CD1-CB 4.07Å; W175-A177 HydrophobicContact CE3-CB 4.45Å; W175-A177 HydrophobicContact CZ3-CB 4.32Å; A177-M197 CarbonylContact O-C 3.52Å; A177-D198 PolarHBondContact O-N 3.2Å; A177-A199 HydrophobicContact CB-CB 4.42Å; A177-A199 PolarHBondContact N-O 3.42Å; A177-A199 PolarHBondContact O-N 2.95Å; A177-A199 VanDerWaalsContact O-N 3.11Å
178E98.6Very high96.4Very high16 Ų1627.7 Ų27.78%0.07514%0.144CC..EExtended strand (participates in β ladder)trans-120.3134.2175.2-176.3-166159.800110.1W166 V167 R185 L193 K196W166-E178 WeakPolarHBondContact CA-O 3.3Å; V167-E178 PolarHBondContact N-O 2.9Å; V167-E178 PolarHBondContact O-N 3.48Å; E178-R185 VanDerWaalsContact CD-NH1 3.3Å; E178-R185 IonicContact OE1-NH1 2.7Å; E178-R185 PolarHBondContact OE1-NH1 3.37Å; E178-R185 IonicContact OE2-CZ 2.88Å; E178-R185 VanDerWaalsContact OE2-CZ 3.26Å; E178-R185 IonicContact OE2-NH1 3.42Å; E178-R185 PolarHBondContact OE2-NH1 3.03Å; E178-R185 IonicContact OE2-NH2 3.52Å; E178-R185 PolarHBondContact OE2-NH2 3.22Å; E178-L193 HydrophobicContact CB-CD2 3.4Å; E178-L193 HydrophobicContact CG-CD2 4.47Å; E178-K196 HydrophobicContact CG-CD 3.92Å; E178-K196 HydrophobicContact CG-CG 4.13Å; E178-K196 WeakPolarHBondContact OE1-CD 2.96Å; E178-K196 IonicContact OE1-NZ 2.74Å; E178-K196 PolarHBondContact OE1-NZ 2.92Å
179K98.6Very high96Very high69 Ų6928 Ų2830%0.315%0.146SC..EExtended strand (participates in β ladder)trans-87134.2172.7-171.8176.5-179.8157.60110.8E164 W166 T181 K196 D198E164-K179 VanDerWaalsContact CD-CE 3.46Å; E164-K179 IonicContact OE1-NZ 3.08Å; E164-K179 WeakPolarHBondContact OE2-CE 3.48Å; E164-K179 IonicContact OE2-NZ 3.44Å; E164-K179 PolarHBondContact OE2-NZ 2.99Å; W166-K179 HydrophobicContact CD2-CB 4.17Å; W166-K179 HydrophobicContact CD2-CG 4.45Å; W166-K179 HydrophobicContact CE3-CB 4.07Å; W166-K179 HydrophobicContact CH2-CB 3.77Å; W166-K179 HydrophobicContact CH2-CD 4.25Å; W166-K179 HydrophobicContact CH2-CG 4.33Å; W166-K179 HydrophobicContact CZ2-CB 3.82Å; W166-K179 HydrophobicContact CZ2-CD 3.72Å; W166-K179 HydrophobicContact CZ2-CG 3.88Å; W166-K179 HydrophobicContact CZ3-CB 3.89Å; K179-T181 HydrophobicContact CD-CG2 4.38Å; K179-T181 HydrophobicContact CG-CG2 4.21Å; K179-K196 PolarHBondContact O-NZ 2.99Å; K179-D198 HydrophobicContact CB-CB 4.19Å; K179-D198 PolarHBondContact N-OD2 3.03Å
180V97.8Very high95.5Very high13 Ų1330.4 Ų30.48%0.07916%0.157CC..EExtended strand (participates in β ladder)trans-126.5127.9176.5-177.30000108.6F13 A165 E182 R185F13-V180 HydrophobicContact CE2-CG1 4.45Å; A165-V180 HydrophobicContact CB-CB 4.32Å; A165-V180 PolarHBondContact N-O 3.03Å; A165-V180 PolarHBondContact O-N 2.82Å; V180-E182 WeakPolarHBondContact CG1-O 3.47Å; V180-R185 HydrophobicContact CG1-CB 4.37Å; V180-R185 HydrophobicContact CG2-CG 4.37Å
181T97.2Very high95.3Very high76 Ų7631.1 Ų31.147%0.46616%0.161SC..  trans-126-5.5-178.956.40000113.1E164 K179E164-T181 HydrophobicContact CB-CG2 4.12Å; K179-T181 HydrophobicContact CD-CG2 4.38Å; K179-T181 HydrophobicContact CG-CG2 4.21Å
182E94.7Very high95.1Very high147 Ų14732.7 Ų32.769%0.68717%0.172SC*.SBendtrans-151.7163.2-177.263.9178.5-175.100110.8V180V180-E182 WeakPolarHBondContact CG1-O 3.47Å
183G93.3Very high95.1Very high22 Ų2232 Ų3223%0.22716%0.164CC..SBendtrans80.6-150.817500000113.3A12 F13A12-G183 WeakPolarHBondContact CA-O 3.25Å; F13-G183 PolarHBondContact N-O 2.91Å
184V93.7Very high95.1Very high25 Ų2530.7 Ų30.715%0.15216%0.164CC..EExtended strand (participates in β ladder)trans-124.6136.2178.7-177.30000107.5V11 A12 R16 L242 E243 I249V11-V184 CarbonylContact O-C 3.58Å; V11-V184 VanDerWaalsContact O-CA 3.31Å; V11-V184 WeakPolarHBondContact O-CA 3.34Å; A12-V184 HydrophobicContact CB-CG2 4.11Å; R16-V184 HydrophobicContact CB-CG2 4.06Å; R16-V184 HydrophobicContact CG-CG2 4.46Å; V184-L242 HydrophobicContact CG1-CB 4.09Å; V184-E243 HydrophobicContact CB-CG 4.45Å; V184-E243 HydrophobicContact CG1-CG 4.43Å; V184-I249 HydrophobicContact CG1-CD1 4.32Å; V184-I249 HydrophobicContact CG2-CD1 3.48Å; V184-I249 VanDerWaalsContact CG2-CD1 3.48Å
185R94.1Very high95Very high40 Ų4032 Ų3215%0.15118%0.175CC..EExtended strand (participates in β ladder)trans-126.1136.2171.6-173.765.2174-129.2-3.8109.4F10 V11 V167 E178 V180 S192F10-R185 CarbonylContact C-O 3.58Å; F10-R185 WeakPolarHBondContact CA-O 3.4Å; V11-R185 HydrophobicContact CG1-CB 3.85Å; V11-R185 PolarHBondContact N-O 2.91Å; V11-R185 PolarHBondContact O-N 3.3Å; V167-R185 HydrophobicContact CG2-CG 3.82Å; E178-R185 VanDerWaalsContact CD-NH1 3.3Å; E178-R185 IonicContact OE1-NH1 2.7Å; E178-R185 PolarHBondContact OE1-NH1 3.37Å; E178-R185 IonicContact OE2-CZ 2.88Å; E178-R185 VanDerWaalsContact OE2-CZ 3.26Å; E178-R185 IonicContact OE2-NH1 3.42Å; E178-R185 PolarHBondContact OE2-NH1 3.03Å; E178-R185 IonicContact OE2-NH2 3.52Å; E178-R185 PolarHBondContact OE2-NH2 3.22Å; V180-R185 HydrophobicContact CG1-CB 4.37Å; V180-R185 HydrophobicContact CG2-CG 4.37Å; R185-S192 PolarHBondContact NH2-OG 3.45Å
186C93.4Very high94.9Very high13 Ų1335.5 Ų35.59%0.08819%0.19CC..EExtended strand (participates in β ladder)trans-118.7137.2171.3179.10000108.6C9 F10 K239C9-C186 CarbonylContact O-C 3.48Å; C9-C186 VanDerWaalsContact O-CA 3.29Å; C9-C186 WeakPolarHBondContact O-CA 3.34Å; F10-C186 HydrophobicContact CD1-CB 3.77Å; F10-C186 HydrophobicContact CE1-CB 3.91Å; F10-C186 WeakPolarHBondContact CE1-SG 3.49Å; C186-K239 HydrophobicContact CB-CB 4.37Å; C186-K239 HydrophobicContact CB-CG 4.44Å
187I92.6Very high94.8Very high1 Ų137 Ų371%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-126.7156.9164.766.7163.3000109.4C9 E93 L158 V167C9-I187 HydrophobicContact CB-CD1 4.3Å; C9-I187 HydrophobicContact CB-CG1 3.66Å; C9-I187 PolarHBondContact N-O 3.03Å; C9-I187 PolarHBondContact O-N 3.11Å; E93-I187 HydrophobicContact CB-CD1 4.42Å; E93-I187 HydrophobicContact CG-CD1 3.84Å; E93-I187 HydrophobicContact CG-CG1 4.07Å; L158-I187 HydrophobicContact CB-CD1 3.63Å; L158-I187 HydrophobicContact CB-CG1 4.1Å; V167-I187 HydrophobicContact CG1-CG2 3.83Å; V167-I187 HydrophobicContact CG2-CG2 3.9Å
188C91.1Very high94.8Very high10 Ų1041.1 Ų41.17%0.06822%0.22CC..EExtended strand (participates in β ladder)trans-149.4-167.5-174.262.20000108.9S7 Y8 Q190 C235S7-C188 WeakPolarHBondContact O-CA 3.47Å; Y8-C188 HydrophobicContact CD1-CB 4.08Å; Y8-C188 HydrophobicContact CE1-CB 4.11Å; C188-Q190 PolarHBondContact O-N 3.44Å; C188-C235 HydrophobicContact CB-CB 3.8Å; C188-C235 WeakPolarHBondContact CB-SG 3.37Å; C188-C235 WeakPolarHBondContact SG-CB 3.41Å; C188-C235 CovalentContact SG-SG 2Å; C188-C235 PolarHBondContact SG-SG 3.44Å
189S90.4Very high94.8Very high7 Ų741.6 Ų41.65%0.04923%0.226CC..SBendtrans-69.529.517766.10000115.6A94A94-S189 VanDerWaalsContact O-CA 3.28Å; A94-S189 WeakPolarHBondContact O-CA 3.4Å; A94-S189 VanDerWaalsContact O-CB 3.26Å; A94-S189 WeakPolarHBondContact O-CB 3.33Å
190Q89.5Confident94.8Very high50 Ų5041 Ų4123%0.23423%0.225CC..SBendtrans-140156.4175.8-66.2-168.5-26.200112.7C188 S192 L233C188-Q190 PolarHBondContact O-N 3.44Å; Q190-S192 PolarHBondContact O-N 2.87Å; Q190-L233 PolarHBondContact NE2-O 3.27Å; Q190-L233 PolarHBondContact OE1-O 2.96Å; Q190-L233 VanDerWaalsContact OE1-O 3.08Å
191L93.4Very high94.8Very high15 Ų1541 Ų418%0.07922%0.224CC..  trans-65.8129.3171.6-59.9-176.2000110.7I95 T97 E169 F222 F226I95-L191 HydrophobicContact CD1-CD2 3.42Å; I95-L191 VanDerWaalsContact CD1-CD2 3.42Å; T97-L191 HydrophobicContact CG2-CD1 4.23Å; T97-L191 HydrophobicContact CG2-CD2 4.09Å; T97-L191 HydrophobicContact CG2-CG 4.32Å; E169-L191 HydrophobicContact CB-CD2 4.1Å; E169-L191 HydrophobicContact CG-CD2 4.32Å; E169-L191 WeakPolarHBondContact OE2-CA 3.42Å; L191-F222 HydrophobicContact CD1-CD1 4.33Å; L191-F222 HydrophobicContact CD1-CE1 4.05Å; L191-F222 HydrophobicContact CD2-CE1 3.92Å; L191-F222 HydrophobicContact CG-CE1 4.45Å; L191-F226 HydrophobicContact CD1-CB 3.6Å
192S92.7Very high94.8Very high34 Ų3442.8 Ų42.824%0.23824%0.237CC..  trans-116.6-21.6-176.877.20000112.8E169 R185 Q190 T194E169-S192 VanDerWaalsContact CD-N 3.29Å; E169-S192 WeakPolarHBondContact OE1-CA 3.41Å; E169-S192 VanDerWaalsContact OE1-CB 3.29Å; E169-S192 WeakPolarHBondContact OE1-CB 3.42Å; E169-S192 PolarHBondContact OE1-N 2.66Å; E169-S192 PolarHBondContact OE1-OG 3.04Å; E169-S192 PolarHBondContact OE2-N 2.9Å; E169-S192 VanDerWaalsContact OE2-N 3.15Å; R185-S192 PolarHBondContact NH2-OG 3.45Å; Q190-S192 PolarHBondContact O-N 2.87Å; S192-T194 PolarHBondContact O-N 3.04Å
193L95.7Very high95Very high0 Ų040.3 Ų40.30%023%0.225CC..  trans-67.9133.7177.2-62.2-173.2000109.7V167 E169 A176 E178 F222 S223V167-L193 HydrophobicContact CB-CD2 4.1Å; V167-L193 HydrophobicContact CG1-CD2 3.82Å; V167-L193 HydrophobicContact CG1-CG 4.26Å; E169-L193 HydrophobicContact CB-CD1 4.08Å; E169-L193 HydrophobicContact CB-CG 4.42Å; E169-L193 HydrophobicContact CG-CD1 4.17Å; E169-L193 HydrophobicContact CG-CG 4.06Å; E169-L193 PolarHBondContact OE1-N 2.9Å; E169-L193 WeakPolarHBondContact OE2-CB 3.22Å; E169-L193 WeakPolarHBondContact OE2-CG 3.42Å; E169-L193 PolarHBondContact OE2-N 2.83Å; E169-L193 VanDerWaalsContact OE2-N 3.12Å; A176-L193 VanDerWaalsContact C-CD1 3.44Å; A176-L193 HydrophobicContact CB-CD1 3.82Å; A176-L193 WeakPolarHBondContact O-CD1 3.2Å; E178-L193 HydrophobicContact CB-CD2 3.4Å; E178-L193 HydrophobicContact CG-CD2 4.47Å; L193-F222 HydrophobicContact CB-CB 4.13Å; L193-F222 HydrophobicContact CB-CD1 3.86Å; L193-F222 HydrophobicContact CB-CG 4.2Å; L193-S223 WeakPolarHBondContact O-CB 3.36Å; L193-S223 PolarHBondContact O-N 3.29Å; L193-S223 PolarHBondContact O-OG 3.01Å
194T95.5Very high95.2Very high59 Ų5939.3 Ų39.336%0.36222%0.215SC..  trans-115.5-112.5-178.753.80000109.7S192 N221 F222S192-T194 PolarHBondContact O-N 3.04Å; T194-N221 VanDerWaalsContact CA-OD1 3.3Å; T194-N221 WeakPolarHBondContact CA-OD1 3.38Å; T194-N221 WeakPolarHBondContact O-CA 3.41Å; T194-F222 PolarHBondContact O-N 2.91Å
195T96.9Very high95.4Very high53 Ų5342.7 Ų42.733%0.32523%0.225SC..SBendtrans-94.9-22.7-179.4610000112.6M197 E219 N221T195-M197 PolarHBondContact O-N 2.78Å; T195-E219 WeakPolarHBondContact CB-OE1 3.45Å; T195-E219 VanDerWaalsContact CG2-CD 3.48Å; T195-E219 HydrophobicContact CG2-CG 3.7Å; T195-N221 HydrophobicContact CG2-CB 3.94Å
196K96.1Very high95.6Very high95 Ų9543.8 Ų43.841%0.41324%0.239SC..  trans-81.5111.6172.9-175-172.4163.4-149.10109.9E178 K179 D198E178-K196 HydrophobicContact CG-CD 3.92Å; E178-K196 HydrophobicContact CG-CG 4.13Å; E178-K196 WeakPolarHBondContact OE1-CD 2.96Å; E178-K196 IonicContact OE1-NZ 2.74Å; E178-K196 PolarHBondContact OE1-NZ 2.92Å; K179-K196 PolarHBondContact O-NZ 2.99Å; K196-D198 WeakPolarHBondContact CE-OD2 3.35Å; K196-D198 IonicContact NZ-OD2 3.53Å
197M96.8Very high95.8Very high31 Ų3144.9 Ų44.915%0.15324%0.241CC..  trans-136.7121.9171.3-60.1164.9-74.500107.7A176 A177 T195 F220 F222A176-M197 HydrophobicContact CB-CG 4.11Å; A176-M197 HydrophobicContact CB-SD 3.8Å; A177-M197 CarbonylContact O-C 3.52Å; T195-M197 PolarHBondContact O-N 2.78Å; M197-F220 HydrophobicContact CE-CD1 3.59Å; M197-F220 HydrophobicContact CE-CE1 4.24Å; M197-F220 HydrophobicContact SD-CD1 4.27Å; M197-F220 HydrophobicContact SD-CE1 4.33Å; M197-F222 HydrophobicContact SD-CB 3.96Å; M197-F222 HydrophobicContact SD-CD2 4.27Å; M197-F222 HydrophobicContact SD-CG 4.49Å
198D98.4Very high96Very high87 Ų8744.8 Ų44.847%0.46524%0.241SC..SBendtrans-89.6-20.2-179-65-71.3000111.7W166 A177 K179 K196W166-D198 HydrophobicContact CH2-CB 4.05Å; W166-D198 HydrophobicContact CZ3-CB 3.84Å; A177-D198 PolarHBondContact O-N 3.2Å; K179-D198 HydrophobicContact CB-CB 4.19Å; K179-D198 PolarHBondContact N-OD2 3.03Å; K196-D198 WeakPolarHBondContact CE-OD2 3.35Å; K196-D198 IonicContact NZ-OD2 3.53Å
199A98.4Very high96.3Very high26 Ų2648.6 Ų48.622%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-146.2149.716900000110.2W166 W175 A177W166-A199 HydrophobicContact CZ3-CB 4.38Å; W175-A199 HydrophobicContact CH2-CB 4.07Å; W175-A199 HydrophobicContact CZ3-CB 3.75Å; A177-A199 HydrophobicContact CB-CB 4.42Å; A177-A199 PolarHBondContact N-O 3.42Å; A177-A199 PolarHBondContact O-N 2.95Å; A177-A199 VanDerWaalsContact O-N 3.11Å
200E98.4Very high96.6Very high58 Ų5852.4 Ų52.427%0.27128%0.284SS..EExtended strand (participates in β ladder)trans-151.5154.6176.359.4178.9-141.800110.6A176 L204 R205A176-E200 HydrophobicContact CB-CB 4.43Å; E200-L204 HydrophobicContact CB-CD2 3.96Å; E200-R205 IonicContact OE1-CZ 3.96Å; E200-R205 IonicContact OE1-NE 3.4Å; E200-R205 PolarHBondContact OE1-NE 2.95Å; E200-R205 IonicContact OE1-NH2 2.87Å; E200-R205 PolarHBondContact OE1-NH2 2.65Å; E200-R205 IonicContact OE2-CZ 3.74Å; E200-R205 IonicContact OE2-NE 3.54Å; E200-R205 PolarHBondContact OE2-NE 3.45Å; E200-R205 IonicContact OE2-NH2 3.59Å; E200-R205 PolarHBondContact OE2-NH2 2.95Å
201H98.4Very high97Very high12 Ų1254.1 Ų54.16%0.05629%0.292CS..  trans-59.9133.6170.9-177.7-74.8000109.5E135 Y174 W175 E203 L204E135-H201 IonicContact OE1-CD2 3.48Å; E135-H201 PolarHBondContact OE1-CD2 3.15Å; E135-H201 VanDerWaalsContact OE1-CD2 3.32Å; E135-H201 IonicContact OE1-NE2 3.47Å; Y174-H201 AromaticContact CD1-CE1 3.76Å; Y174-H201 AromaticContact CD1-CG 3.92Å; Y174-H201 AromaticContact CD1-ND1 3.49Å; Y174-H201 WeakPolarHBondContact CD1-ND1 3.36Å; Y174-H201 AromaticContact CE1-CE1 3.89Å; Y174-H201 AromaticContact CE1-ND1 3.98Å; W175-H201 AromaticContact CD1-CD2 3.98Å; W175-H201 HydrophobicContact CD2-CB 4.29Å; W175-H201 HydrophobicContact CG-CB 4.14Å; W175-H201 AromaticContact NE1-CD2 3.76Å; W175-H201 PolarHBondContact O-N 2.84Å; H201-E203 IonicContact CE1-OE2 3.71Å; H201-E203 PolarHBondContact ND1-N 3.2Å; H201-E203 PolarHBondContact O-N 3.17Å; H201-E203 VanDerWaalsContact O-N 3.08Å; H201-L204 HydrophobicContact CB-CB 4.29Å; H201-L204 WeakPolarHBondContact O-CB 3.38Å; H201-L204 PolarHBondContact O-N 3.17Å
202P97.8Very high97.1Very high114 Ų11456.4 Ų56.474%0.7432%0.319SS*.THydrogen-bonded Turntrans-60.2-29.3-17121.8-34.2000114.2
203E98.1Very high97.2Very high95 Ų9557.7 Ų57.744%0.44432%0.319SS..THydrogen-bonded Turntrans-96.53.6178.6-54.2-177.9151.500114.3K173 Y174 H201 R205 S206 Y207K173-E203 IonicContact NZ-OE2 3.25Å; K173-E203 PolarHBondContact NZ-OE2 3.47Å; Y174-E203 HydrophobicContact CE1-CB 4.05Å; H201-E203 IonicContact CE1-OE2 3.71Å; H201-E203 PolarHBondContact ND1-N 3.2Å; H201-E203 PolarHBondContact O-N 3.17Å; H201-E203 VanDerWaalsContact O-N 3.08Å; E203-R205 PolarHBondContact O-N 3.12Å; E203-S206 WeakPolarHBondContact CA-OG 3.31Å; E203-S206 PolarHBondContact O-N 2.95Å; E203-S206 PolarHBondContact O-OG 3.1Å; E203-Y207 VanDerWaalsContact O-CB 3.27Å; E203-Y207 WeakPolarHBondContact O-CB 3.32Å; E203-Y207 PolarHBondContact O-N 2.82Å
204L98Very high97.2Very high0 Ų059.4 Ų59.40%033%0.325CS..Hα-helixtrans-54.6-49.8-172.9178.970.6000112.5Y174 A176 E200 H201 Y207 A208 F220 F222 F226Y174-L204 HydrophobicContact CG-CD1 4.49Å; A176-L204 HydrophobicContact CB-CD2 4.05Å; E200-L204 HydrophobicContact CB-CD2 3.96Å; H201-L204 HydrophobicContact CB-CB 4.29Å; H201-L204 WeakPolarHBondContact O-CB 3.38Å; H201-L204 PolarHBondContact O-N 3.17Å; L204-Y207 WeakPolarHBondContact O-CB 3.37Å; L204-Y207 PolarHBondContact O-N 3.18Å; L204-A208 PolarHBondContact O-N 2.85Å; L204-F220 HydrophobicContact CD2-CE1 4.28Å; L204-F220 HydrophobicContact CG-CZ 4.49Å; L204-F222 HydrophobicContact CD1-CE2 3.99Å; L204-F222 HydrophobicContact CD2-CD2 3.93Å; L204-F222 HydrophobicContact CD2-CE2 3.92Å; L204-F226 HydrophobicContact CD1-CE2 3.67Å; L204-F226 HydrophobicContact CD1-CZ 3.62Å; L204-F226 HydrophobicContact CG-CE2 4.16Å; L204-F226 HydrophobicContact CG-CZ 4.26Å
205R97.8Very high97.2Very high96 Ų9662.1 Ų62.136%0.36234%0.342SS..Hα-helixtrans-71.1-42.4-176.5-63.5-174.9-165.8-149.7-6.8112.4E200 E203 Y207 A208 Q209 W214 F220E200-R205 IonicContact OE1-CZ 3.96Å; E200-R205 IonicContact OE1-NE 3.4Å; E200-R205 PolarHBondContact OE1-NE 2.95Å; E200-R205 IonicContact OE1-NH2 2.87Å; E200-R205 PolarHBondContact OE1-NH2 2.65Å; E200-R205 IonicContact OE2-CZ 3.74Å; E200-R205 IonicContact OE2-NE 3.54Å; E200-R205 PolarHBondContact OE2-NE 3.45Å; E200-R205 IonicContact OE2-NH2 3.59Å; E200-R205 PolarHBondContact OE2-NH2 2.95Å; E203-R205 PolarHBondContact O-N 3.12Å; R205-Y207 PolarHBondContact O-N 3.16Å; R205-A208 PolarHBondContact O-N 2.97Å; R205-Q209 WeakPolarHBondContact O-CG 3.42Å; R205-Q209 PolarHBondContact O-N 2.95Å; R205-W214 HydrophobicContact CB-CE3 4.4Å; R205-W214 HydrophobicContact CB-CZ3 3.93Å; R205-W214 HydrophobicContact CG-CZ3 4.38Å; R205-F220 HydrophobicContact CG-CD2 4.05Å; R205-F220 HydrophobicContact CG-CE2 4.11Å; R205-F220 HydrophobicContact CG-CG 4.29Å; R205-F220 HydrophobicContact CG-CZ 4.38Å
206S97.7Very high97Very high64 Ų6461.1 Ų61.145%0.44834%0.342SS..Hα-helixtrans-62.4-36.4174.343.60000111.5E203 Q209 S210E203-S206 WeakPolarHBondContact CA-OG 3.31Å; E203-S206 PolarHBondContact O-N 2.95Å; E203-S206 PolarHBondContact O-OG 3.1Å; S206-Q209 PolarHBondContact O-N 2.79Å; S206-S210 WeakPolarHBondContact O-CB 3.33Å; S206-S210 PolarHBondContact O-N 3.29Å
207Y97.9Very high96.8Very high35 Ų3564.1 Ų64.114%0.13736%0.358CS..Hα-helixtrans-63.2-52.3174.5179.1-114000110.9E99 Y174 E203 L204 R205 Q209 S210 Q211 W213 F226E99-Y207 VanDerWaalsContact CD-OH 3.29Å; E99-Y207 WeakPolarHBondContact OE2-CE1 3.46Å; E99-Y207 PolarHBondContact OE2-OH 2.83Å; Y174-Y207 HydrophobicContact CD1-CG 4.43Å; Y174-Y207 AromaticContact CD2-CD1 3.49Å; Y174-Y207 HydrophobicContact CD2-CD1 3.49Å; Y174-Y207 VanDerWaalsContact CD2-CD1 3.49Å; Y174-Y207 AromaticContact CD2-CE1 3.68Å; Y174-Y207 HydrophobicContact CD2-CE1 3.68Å; Y174-Y207 AromaticContact CD2-CG 3.94Å; Y174-Y207 HydrophobicContact CD2-CG 3.94Å; Y174-Y207 HydrophobicContact CE1-CD1 4.4Å; Y174-Y207 HydrophobicContact CE1-CD2 4.38Å; Y174-Y207 AromaticContact CE1-CG 3.93Å; Y174-Y207 HydrophobicContact CE1-CG 3.93Å; Y174-Y207 AromaticContact CE2-CD1 3.33Å; Y174-Y207 HydrophobicContact CE2-CD1 3.33Å; Y174-Y207 AromaticContact CE2-CD2 3.53Å; Y174-Y207 HydrophobicContact CE2-CD2 3.53Å; Y174-Y207 AromaticContact CE2-CE1 3.48Å; Y174-Y207 HydrophobicContact CE2-CE1 3.48Å; Y174-Y207 VanDerWaalsContact CE2-CE1 3.48Å; Y174-Y207 AromaticContact CE2-CE2 3.67Å; Y174-Y207 HydrophobicContact CE2-CE2 3.67Å; Y174-Y207 AromaticContact CE2-CG 3.35Å; Y174-Y207 HydrophobicContact CE2-CG 3.35Å; Y174-Y207 AromaticContact CE2-CZ 3.65Å; Y174-Y207 HydrophobicContact CG-CD1 4.1Å; Y174-Y207 HydrophobicContact CG-CG 4.44Å; Y174-Y207 AromaticContact CZ-CD1 3.82Å; Y174-Y207 AromaticContact CZ-CD2 3.45Å; Y174-Y207 VanDerWaalsContact CZ-CD2 3.45Å; Y174-Y207 AromaticContact CZ-CG 3.34Å; Y174-Y207 WeakPolarHBondContact OH-CD2 3.39Å; E203-Y207 VanDerWaalsContact O-CB 3.27Å; E203-Y207 WeakPolarHBondContact O-CB 3.32Å; E203-Y207 PolarHBondContact O-N 2.82Å; L204-Y207 WeakPolarHBondContact O-CB 3.37Å; L204-Y207 PolarHBondContact O-N 3.18Å; R205-Y207 PolarHBondContact O-N 3.16Å; Y207-Q209 VanDerWaalsContact C-N 3.26Å; Y207-Q209 PolarHBondContact O-N 3.41Å; Y207-S210 PolarHBondContact O-N 3.29Å; Y207-S210 PolarHBondContact O-OG 3.45Å; Y207-Q211 HydrophobicContact CD2-CG 4.34Å; Y207-Q211 HydrophobicContact CE1-CG 4.15Å; Y207-Q211 HydrophobicContact CE2-CG 3.91Å; Y207-Q211 VanDerWaalsContact CE2-NE2 3.28Å; Y207-Q211 WeakPolarHBondContact O-CG 3.28Å; Y207-Q211 PolarHBondContact O-N 2.85Å; Y207-W213 HydrophobicContact CE1-CH2 4.41Å; Y207-W213 AromaticContact CE1-CZ3 3.98Å; Y207-W213 HydrophobicContact CE1-CZ3 3.98Å; Y207-F226 HydrophobicContact CD1-CE1 4.43Å
208A97.5Very high96.6Very high0 Ų066 Ų660%039%0.385CS..Hα-helixtrans-55.6-38.9176.400000113.1L204 R205 Q211 G212 W213 W214 F220 V225 F226L204-A208 PolarHBondContact O-N 2.85Å; R205-A208 PolarHBondContact O-N 2.97Å; A208-Q211 PolarHBondContact O-N 3.39Å; A208-G212 PolarHBondContact O-N 2.84Å; A208-W213 PolarHBondContact O-N 3.41Å; A208-W214 HydrophobicContact CB-CB 4.22Å; A208-W214 PolarHBondContact O-N 2.85Å; A208-F220 HydrophobicContact CB-CE2 3.97Å; A208-F220 HydrophobicContact CB-CZ 4.35Å; A208-V225 HydrophobicContact CB-CG1 3.73Å; A208-F226 HydrophobicContact CB-CE1 4.29Å; A208-F226 HydrophobicContact CB-CZ 3.88Å
209Q97.1Very high96.5Very high90 Ų9068.9 Ų68.942%0.42140%0.396SS..Hα-helixtrans-66.4-43.5173.9-71.3-179.71800112.5R205 S206 Y207 Q211 G212 W214 G216R205-Q209 WeakPolarHBondContact O-CG 3.42Å; R205-Q209 PolarHBondContact O-N 2.95Å; S206-Q209 PolarHBondContact O-N 2.79Å; Y207-Q209 VanDerWaalsContact C-N 3.26Å; Y207-Q209 PolarHBondContact O-N 3.41Å; Q209-Q211 PolarHBondContact O-N 3.13Å; Q209-G212 PolarHBondContact O-N 3.02Å; Q209-W214 WeakPolarHBondContact CA-O 3.38Å; Q209-W214 HydrophobicContact CG-CD2 4.43Å; Q209-W214 HydrophobicContact CG-CE3 3.62Å; Q209-W214 HydrophobicContact CG-CZ3 4.15Å; Q209-W214 WeakPolarHBondContact CG-O 3.49Å; Q209-G216 VanDerWaalsContact NE2-CA 3.27Å
210S97.2Very high96.4Very high86 Ų8667.9 Ų67.960%0.60139%0.387SS*.Hα-helixtrans-62.8-29.6179.276.30000112.8S206 Y207 G212S206-S210 WeakPolarHBondContact O-CB 3.33Å; S206-S210 PolarHBondContact O-N 3.29Å; Y207-S210 PolarHBondContact O-N 3.29Å; Y207-S210 PolarHBondContact O-OG 3.45Å; S210-G212 VanDerWaalsContact C-N 3.3Å
211Q96.2Very high96.4Very high86 Ų8666 Ų6640%0.40238%0.378SS..THydrogen-bonded Turntrans-81.8-7.2174.1-61.1-57.6-36.500113.3Y207 A208 Q209 W213Y207-Q211 HydrophobicContact CD2-CG 4.34Å; Y207-Q211 HydrophobicContact CE1-CG 4.15Å; Y207-Q211 HydrophobicContact CE2-CG 3.91Å; Y207-Q211 VanDerWaalsContact CE2-NE2 3.28Å; Y207-Q211 WeakPolarHBondContact O-CG 3.28Å; Y207-Q211 PolarHBondContact O-N 2.85Å; A208-Q211 PolarHBondContact O-N 3.39Å; Q209-Q211 PolarHBondContact O-N 3.13Å; Q211-W213 HydrophobicContact CB-CD2 3.48Å; Q211-W213 VanDerWaalsContact CB-CD2 3.48Å; Q211-W213 VanDerWaalsContact CB-CE2 3.44Å; Q211-W213 HydrophobicContact CB-CE3 3.86Å; Q211-W213 HydrophobicContact CB-CG 3.85Å; Q211-W213 HydrophobicContact CB-CH2 4.13Å; Q211-W213 HydrophobicContact CB-CZ2 3.8Å; Q211-W213 HydrophobicContact CB-CZ3 4.17Å; Q211-W213 HydrophobicContact CG-CD2 4.19Å; Q211-W213 HydrophobicContact CG-CE3 4.13Å; Q211-W213 HydrophobicContact CG-CH2 3.83Å; Q211-W213 HydrophobicContact CG-CZ2 3.91Å; Q211-W213 HydrophobicContact CG-CZ3 3.95Å; Q211-W213 PolarHBondContact O-N 3.34Å
212G95.9Very high96.3Very high63 Ų6365.5 Ų65.565%0.64938%0.376SS*.THydrogen-bonded Turntrans71.116.3-175.500000114A208 Q209 S210A208-G212 PolarHBondContact O-N 2.84Å; Q209-G212 PolarHBondContact O-N 3.02Å; S210-G212 VanDerWaalsContact C-N 3.3Å
213W95.4Very high96.2Very high62 Ų6260.9 Ų60.924%0.23535%0.346CS..SBendtrans-83.3-23.6-179.5-61.7-15.8000112.9R98 E99 Y207 A208 Q211 V225 F226R98-W213 VanDerWaalsContact CD-CE2 3.45Å; R98-W213 HydrophobicContact CG-CD2 4.39Å; R98-W213 HydrophobicContact CG-CZ2 4.11Å; R98-W213 VanDerWaalsContact NH1-CB 3.28Å; R98-W213 VanDerWaalsContact NH1-CG 3.27Å; E99-W213 HydrophobicContact CB-CH2 3.97Å; Y207-W213 HydrophobicContact CE1-CH2 4.41Å; Y207-W213 AromaticContact CE1-CZ3 3.98Å; Y207-W213 HydrophobicContact CE1-CZ3 3.98Å; A208-W213 PolarHBondContact O-N 3.41Å; Q211-W213 HydrophobicContact CB-CD2 3.48Å; Q211-W213 VanDerWaalsContact CB-CD2 3.48Å; Q211-W213 VanDerWaalsContact CB-CE2 3.44Å; Q211-W213 HydrophobicContact CB-CE3 3.86Å; Q211-W213 HydrophobicContact CB-CG 3.85Å; Q211-W213 HydrophobicContact CB-CH2 4.13Å; Q211-W213 HydrophobicContact CB-CZ2 3.8Å; Q211-W213 HydrophobicContact CB-CZ3 4.17Å; Q211-W213 HydrophobicContact CG-CD2 4.19Å; Q211-W213 HydrophobicContact CG-CE3 4.13Å; Q211-W213 HydrophobicContact CG-CH2 3.83Å; Q211-W213 HydrophobicContact CG-CZ2 3.91Å; Q211-W213 HydrophobicContact CG-CZ3 3.95Å; Q211-W213 PolarHBondContact O-N 3.34Å; W213-V225 HydrophobicContact CB-CG1 4.03Å; W213-F226 AromaticContact CE3-CD1 3.67Å; W213-F226 HydrophobicContact CE3-CD1 3.67Å; W213-F226 AromaticContact CE3-CE1 3.62Å; W213-F226 HydrophobicContact CE3-CE1 3.62Å; W213-F226 AromaticContact CZ3-CD1 3.73Å; W213-F226 HydrophobicContact CZ3-CD1 3.73Å; W213-F226 AromaticContact CZ3-CE1 3.67Å; W213-F226 HydrophobicContact CZ3-CE1 3.67Å
214W96.3Very high96Very high36 Ų3663 Ų6314%0.13636%0.356CS..  trans-133.8135.5172.1-178.653.2000109.4R205 A208 Q209 G216 E217 F220 V225R205-W214 HydrophobicContact CB-CE3 4.4Å; R205-W214 HydrophobicContact CB-CZ3 3.93Å; R205-W214 HydrophobicContact CG-CZ3 4.38Å; A208-W214 HydrophobicContact CB-CB 4.22Å; A208-W214 PolarHBondContact O-N 2.85Å; Q209-W214 WeakPolarHBondContact CA-O 3.38Å; Q209-W214 HydrophobicContact CG-CD2 4.43Å; Q209-W214 HydrophobicContact CG-CE3 3.62Å; Q209-W214 HydrophobicContact CG-CZ3 4.15Å; Q209-W214 WeakPolarHBondContact CG-O 3.49Å; W214-G216 PolarHBondContact O-N 3.31Å; W214-E217 PolarHBondContact NE1-O 3.38Å; W214-F220 HydrophobicContact CB-CE2 4.36Å; W214-F220 AromaticContact CD2-CD2 3.53Å; W214-F220 HydrophobicContact CD2-CD2 3.53Å; W214-F220 HydrophobicContact CD2-CE2 4.06Å; W214-F220 AromaticContact CE2-CD2 3.9Å; W214-F220 AromaticContact CE3-CD2 3.52Å; W214-F220 HydrophobicContact CE3-CD2 3.52Å; W214-F220 AromaticContact CE3-CE2 3.89Å; W214-F220 HydrophobicContact CE3-CE2 3.89Å; W214-F220 AromaticContact CG-CD2 4Å; W214-F220 HydrophobicContact CG-CD2 4Å; W214-F220 HydrophobicContact CG-CE2 4.26Å; W214-F220 HydrophobicContact CH2-CB 4.47Å; W214-F220 HydrophobicContact CH2-CD2 4.26Å; W214-F220 HydrophobicContact CZ2-CB 4.24Å; W214-F220 HydrophobicContact CZ2-CD2 4.26Å; W214-F220 AromaticContact CZ3-CD2 3.9Å; W214-F220 HydrophobicContact CZ3-CD2 3.9Å; W214-V225 HydrophobicContact CB-CG1 4.37Å; W214-V225 HydrophobicContact CB-CG2 4.01Å; W214-V225 HydrophobicContact CG-CG2 4.35Å
215T94Very high95.9Very high116 Ų11663.4 Ų63.471%0.71236%0.359SS*.  trans-76.2-14-176.857.90000113.2E217T215-E217 VanDerWaalsContact C-N 3.26Å; T215-E217 PolarHBondContact OG1-N 2.64Å
216G93Very high95.8Very high32 Ų3258.8 Ų58.833%0.3334%0.341SS..SBendtrans85.1-3.5-167.100000114Q209 W214Q209-G216 VanDerWaalsContact NE2-CA 3.27Å; W214-G216 PolarHBondContact O-N 3.31Å
217E92.4Very high95.6Very high158 Ų15857.4 Ų57.474%0.73833%0.332SS*.  trans-103147.2175.1-59.3-175165.800110.6W214 T215W214-E217 PolarHBondContact NE1-O 3.38Å; T215-E217 VanDerWaalsContact C-N 3.26Å; T215-E217 PolarHBondContact OG1-N 2.64Å
218G92.7Very high95.1Very high70 Ų7057.4 Ų57.472%0.72234%0.336SS*.SBendtrans83.3-179.1-17800000114.2
219E95.4Very high94Very high147 Ų14763.4 Ų63.469%0.68737%0.372SS*.  trans-73.5135.7174.3-170.5172.3-152.700109.6T195 N221T195-E219 WeakPolarHBondContact CB-OE1 3.45Å; T195-E219 VanDerWaalsContact CG2-CD 3.48Å; T195-E219 HydrophobicContact CG2-CG 3.7Å; E219-N221 PolarHBondContact O-N 3.19Å
220F97.3Very high92.6Very high6 Ų667.5 Ų67.53%0.02639%0.391CS..  trans-76.8120.2177.9-173.5-89.7000109.4M197 L204 R205 A208 W214 F222 V225 F226M197-F220 HydrophobicContact CE-CD1 3.59Å; M197-F220 HydrophobicContact CE-CE1 4.24Å; M197-F220 HydrophobicContact SD-CD1 4.27Å; M197-F220 HydrophobicContact SD-CE1 4.33Å; L204-F220 HydrophobicContact CD2-CE1 4.28Å; L204-F220 HydrophobicContact CG-CZ 4.49Å; R205-F220 HydrophobicContact CG-CD2 4.05Å; R205-F220 HydrophobicContact CG-CE2 4.11Å; R205-F220 HydrophobicContact CG-CG 4.29Å; R205-F220 HydrophobicContact CG-CZ 4.38Å; A208-F220 HydrophobicContact CB-CE2 3.97Å; A208-F220 HydrophobicContact CB-CZ 4.35Å; W214-F220 HydrophobicContact CB-CE2 4.36Å; W214-F220 AromaticContact CD2-CD2 3.53Å; W214-F220 HydrophobicContact CD2-CD2 3.53Å; W214-F220 HydrophobicContact CD2-CE2 4.06Å; W214-F220 AromaticContact CE2-CD2 3.9Å; W214-F220 AromaticContact CE3-CD2 3.52Å; W214-F220 HydrophobicContact CE3-CD2 3.52Å; W214-F220 AromaticContact CE3-CE2 3.89Å; W214-F220 HydrophobicContact CE3-CE2 3.89Å; W214-F220 AromaticContact CG-CD2 4Å; W214-F220 HydrophobicContact CG-CD2 4Å; W214-F220 HydrophobicContact CG-CE2 4.26Å; W214-F220 HydrophobicContact CH2-CB 4.47Å; W214-F220 HydrophobicContact CH2-CD2 4.26Å; W214-F220 HydrophobicContact CZ2-CB 4.24Å; W214-F220 HydrophobicContact CZ2-CD2 4.26Å; W214-F220 AromaticContact CZ3-CD2 3.9Å; W214-F220 HydrophobicContact CZ3-CD2 3.9Å; F220-F222 HydrophobicContact CE1-CB 4.27Å; F220-F222 HydrophobicContact CE1-CD2 4.27Å; F220-V225 HydrophobicContact CD2-CG2 4.41Å; F220-V225 HydrophobicContact CE2-CB 4.45Å; F220-V225 HydrophobicContact CE2-CG1 4.18Å; F220-V225 HydrophobicContact CE2-CG2 4.03Å; F220-V225 HydrophobicContact CZ-CB 4.34Å; F220-V225 HydrophobicContact CZ-CG1 4.16Å; F220-V225 HydrophobicContact CZ-CG2 4.33Å; F220-F226 HydrophobicContact CE1-CE2 4.36Å; F220-F226 AromaticContact CZ-CE2 3.75Å; F220-F226 HydrophobicContact CZ-CE2 3.75Å; F220-F226 HydrophobicContact CZ-CZ 4.4Å
221N97.4Very high90.7Very high19 Ų1965.8 Ų65.810%0.10238%0.375CS..  trans-114.6112.2175.6-176.3-27.6000109.4T194 T195 E219 S223 E224 V225T194-N221 VanDerWaalsContact CA-OD1 3.3Å; T194-N221 WeakPolarHBondContact CA-OD1 3.38Å; T194-N221 WeakPolarHBondContact O-CA 3.41Å; T195-N221 HydrophobicContact CG2-CB 3.94Å; E219-N221 PolarHBondContact O-N 3.19Å; N221-S223 PolarHBondContact OD1-N 2.97Å; N221-S223 PolarHBondContact OD1-OG 3.01Å; N221-E224 HydrophobicContact CB-CB 4Å; N221-E224 HydrophobicContact CB-CG 4.15Å; N221-E224 WeakPolarHBondContact ND2-CG 3.48Å; N221-E224 PolarHBondContact ND2-OE1 3.29Å; N221-E224 PolarHBondContact O-N 3.45Å; N221-E224 PolarHBondContact OD1-N 3.47Å; N221-V225 WeakPolarHBondContact O-CB 3.33Å; N221-V225 WeakPolarHBondContact O-CG2 3.32Å; N221-V225 PolarHBondContact O-N 3.39Å
222F97.3Very high88.4Confident0 Ų069.9 Ų69.90%039%0.394CS..Hα-helixtrans-60.7-55-171.4-176.4-92.6000112.9E169 I171 A176 L191 L193 T194 M197 L204 F220 E224 V225 F226E169-F222 HydrophobicContact CB-CE1 3.67Å; E169-F222 HydrophobicContact CB-CZ 4.08Å; E169-F222 WeakPolarHBondContact OE2-CE1 3.42Å; I171-F222 HydrophobicContact CD1-CE1 4.1Å; I171-F222 HydrophobicContact CD1-CE2 3.75Å; I171-F222 HydrophobicContact CD1-CZ 3.35Å; I171-F222 HydrophobicContact CG1-CZ 4.18Å; A176-F222 HydrophobicContact CB-CD2 3.54Å; A176-F222 HydrophobicContact CB-CE2 3.46Å; A176-F222 VanDerWaalsContact CB-CE2 3.46Å; A176-F222 HydrophobicContact CB-CG 4.21Å; A176-F222 HydrophobicContact CB-CZ 4.07Å; L191-F222 HydrophobicContact CD1-CD1 4.33Å; L191-F222 HydrophobicContact CD1-CE1 4.05Å; L191-F222 HydrophobicContact CD2-CE1 3.92Å; L191-F222 HydrophobicContact CG-CE1 4.45Å; L193-F222 HydrophobicContact CB-CB 4.13Å; L193-F222 HydrophobicContact CB-CD1 3.86Å; L193-F222 HydrophobicContact CB-CG 4.2Å; T194-F222 PolarHBondContact O-N 2.91Å; M197-F222 HydrophobicContact SD-CB 3.96Å; M197-F222 HydrophobicContact SD-CD2 4.27Å; M197-F222 HydrophobicContact SD-CG 4.49Å; L204-F222 HydrophobicContact CD1-CE2 3.99Å; L204-F222 HydrophobicContact CD2-CD2 3.93Å; L204-F222 HydrophobicContact CD2-CE2 3.92Å; F220-F222 HydrophobicContact CE1-CB 4.27Å; F220-F222 HydrophobicContact CE1-CD2 4.27Å; F222-E224 PolarHBondContact O-N 2.92Å; F222-V225 PolarHBondContact O-N 2.81Å; F222-F226 HydrophobicContact CD1-CD2 4.48Å; F222-F226 AromaticContact CD2-CD2 3.69Å; F222-F226 HydrophobicContact CD2-CD2 3.69Å; F222-F226 AromaticContact CD2-CE2 3.78Å; F222-F226 HydrophobicContact CD2-CE2 3.78Å; F222-F226 AromaticContact CE2-CD2 3.72Å; F222-F226 HydrophobicContact CE2-CD2 3.72Å; F222-F226 AromaticContact CE2-CE2 3.77Å; F222-F226 HydrophobicContact CE2-CE2 3.77Å; F222-F226 HydrophobicContact CG-CD2 4.1Å; F222-F226 HydrophobicContact CZ-CD2 4.16Å; F222-F226 WeakPolarHBondContact O-CD2 3.29Å; F222-F226 PolarHBondContact O-N 3.24Å
223S95.1Very high86.4Confident17 Ų1770.9 Ų70.912%0.11938%0.384CS..Hα-helixtrans-61.5-42.7179.248.50000111.7L193 N221 V225 F226 S227L193-S223 WeakPolarHBondContact O-CB 3.36Å; L193-S223 PolarHBondContact O-N 3.29Å; L193-S223 PolarHBondContact O-OG 3.01Å; N221-S223 PolarHBondContact OD1-N 2.97Å; N221-S223 PolarHBondContact OD1-OG 3.01Å; S223-V225 VanDerWaalsContact C-N 3.32Å; S223-V225 PolarHBondContact O-N 2.97Å; S223-F226 PolarHBondContact O-N 3.35Å; S223-S227 WeakPolarHBondContact O-CA 3.5Å; S223-S227 WeakPolarHBondContact O-CB 3.45Å; S223-S227 PolarHBondContact O-N 2.87Å; S223-S227 PolarHBondContact O-OG 2.71Å
224E93.8Very high84.5Confident139 Ų13974 Ų7465%0.6541%0.406SS*.Hα-helixtrans-61.6-38.7176.7-72178.6-168.300113.2N221 F222N221-E224 HydrophobicContact CB-CB 4Å; N221-E224 HydrophobicContact CB-CG 4.15Å; N221-E224 WeakPolarHBondContact ND2-CG 3.48Å; N221-E224 PolarHBondContact ND2-OE1 3.29Å; N221-E224 PolarHBondContact O-N 3.45Å; N221-E224 PolarHBondContact OD1-N 3.47Å; F222-E224 PolarHBondContact O-N 2.92Å
225V96.1Very high82.6Confident9 Ų973.1 Ų73.16%0.05540%0.404CS..Hα-helixtrans-72.2-40.3-178.8168.50000111.7R98 A208 W213 W214 F220 N221 F222 S223R98-V225 PolarHBondContact NE-O 3.39Å; R98-V225 PolarHBondContact NH1-O 3.42Å; R98-V225 VanDerWaalsContact NH1-O 3.12Å; A208-V225 HydrophobicContact CB-CG1 3.73Å; W213-V225 HydrophobicContact CB-CG1 4.03Å; W214-V225 HydrophobicContact CB-CG1 4.37Å; W214-V225 HydrophobicContact CB-CG2 4.01Å; W214-V225 HydrophobicContact CG-CG2 4.35Å; F220-V225 HydrophobicContact CD2-CG2 4.41Å; F220-V225 HydrophobicContact CE2-CB 4.45Å; F220-V225 HydrophobicContact CE2-CG1 4.18Å; F220-V225 HydrophobicContact CE2-CG2 4.03Å; F220-V225 HydrophobicContact CZ-CB 4.34Å; F220-V225 HydrophobicContact CZ-CG1 4.16Å; F220-V225 HydrophobicContact CZ-CG2 4.33Å; N221-V225 WeakPolarHBondContact O-CB 3.33Å; N221-V225 WeakPolarHBondContact O-CG2 3.32Å; N221-V225 PolarHBondContact O-N 3.39Å; F222-V225 PolarHBondContact O-N 2.81Å; S223-V225 VanDerWaalsContact C-N 3.32Å; S223-V225 PolarHBondContact O-N 2.97Å
226F96Very high80.8Confident0 Ų068.3 Ų68.30%038%0.378CS..Hα-helixtrans-110.1-4.4-169-65.5-69.7000115.2T97 R98 I171 L191 L204 Y207 A208 W213 F220 F222 S223T97-F226 WeakPolarHBondContact CB-O 3.41Å; R98-F226 VanDerWaalsContact CB-O 3.24Å; R98-F226 WeakPolarHBondContact CB-O 3.22Å; R98-F226 PolarHBondContact N-O 2.74Å; I171-F226 HydrophobicContact CD1-CB 3.51Å; I171-F226 HydrophobicContact CD1-CD1 3.45Å; I171-F226 VanDerWaalsContact CD1-CD1 3.45Å; I171-F226 HydrophobicContact CD1-CD2 3.38Å; I171-F226 HydrophobicContact CD1-CE1 3.86Å; I171-F226 HydrophobicContact CD1-CE2 3.8Å; I171-F226 HydrophobicContact CD1-CG 3.18Å; I171-F226 HydrophobicContact CD1-CZ 4.02Å; I171-F226 HydrophobicContact CG1-CB 4.45Å; I171-F226 HydrophobicContact CG1-CG 4.42Å; L191-F226 HydrophobicContact CD1-CB 3.6Å; L204-F226 HydrophobicContact CD1-CE2 3.67Å; L204-F226 HydrophobicContact CD1-CZ 3.62Å; L204-F226 HydrophobicContact CG-CE2 4.16Å; L204-F226 HydrophobicContact CG-CZ 4.26Å; Y207-F226 HydrophobicContact CD1-CE1 4.43Å; A208-F226 HydrophobicContact CB-CE1 4.29Å; A208-F226 HydrophobicContact CB-CZ 3.88Å; W213-F226 AromaticContact CE3-CD1 3.67Å; W213-F226 HydrophobicContact CE3-CD1 3.67Å; W213-F226 AromaticContact CE3-CE1 3.62Å; W213-F226 HydrophobicContact CE3-CE1 3.62Å; W213-F226 AromaticContact CZ3-CD1 3.73Å; W213-F226 HydrophobicContact CZ3-CD1 3.73Å; W213-F226 AromaticContact CZ3-CE1 3.67Å; W213-F226 HydrophobicContact CZ3-CE1 3.67Å; F220-F226 HydrophobicContact CE1-CE2 4.36Å; F220-F226 AromaticContact CZ-CE2 3.75Å; F220-F226 HydrophobicContact CZ-CE2 3.75Å; F220-F226 HydrophobicContact CZ-CZ 4.4Å; F222-F226 HydrophobicContact CD1-CD2 4.48Å; F222-F226 AromaticContact CD2-CD2 3.69Å; F222-F226 HydrophobicContact CD2-CD2 3.69Å; F222-F226 AromaticContact CD2-CE2 3.78Å; F222-F226 HydrophobicContact CD2-CE2 3.78Å; F222-F226 AromaticContact CE2-CD2 3.72Å; F222-F226 HydrophobicContact CE2-CD2 3.72Å; F222-F226 AromaticContact CE2-CE2 3.77Å; F222-F226 HydrophobicContact CE2-CE2 3.77Å; F222-F226 HydrophobicContact CG-CD2 4.1Å; F222-F226 HydrophobicContact CZ-CD2 4.16Å; F222-F226 WeakPolarHBondContact O-CD2 3.29Å; F222-F226 PolarHBondContact O-N 3.24Å; S223-F226 PolarHBondContact O-N 3.35Å
227S93.4Very high79.3Confident35 Ų3568.9 Ų68.925%0.24538%0.38CS..SBendtrans-72.7148.5175.4-61.30000111.3S223S223-S227 WeakPolarHBondContact O-CA 3.5Å; S223-S227 WeakPolarHBondContact O-CB 3.45Å; S223-S227 PolarHBondContact O-N 2.87Å; S223-S227 PolarHBondContact O-OG 2.71Å
228P88.6Confident77.7Confident34 Ų3461.3 Ų61.322%0.22134%0.344CS..  trans-60.5148171.5-12.926.3000110.7N96 E230 D231N96-P228 HydrophobicContact CB-CG 4.31Å; P228-E230 VanDerWaalsContact C-N 3.27Å; P228-E230 PolarHBondContact O-N 2.83Å; P228-D231 HydrophobicContact CB-CB 4.07Å; P228-D231 HydrophobicContact CG-CB 4.06Å
229V74.5Confident76.4Confident126 Ų12662.7 Ų62.776%0.76433%0.33SS*.THydrogen-bonded Turntrans-68.3-28.2-178.11800000112.4
230E65.8Low75.2Confident177 Ų17758.9 Ų58.983%0.82732%0.315SS*.THydrogen-bonded Turntrans-104.90.1-169.7-63.1-174169.100114.2P228P228-E230 VanDerWaalsContact C-N 3.27Å; P228-E230 PolarHBondContact O-N 2.83Å
231D57.3Low74Confident49 Ų4960 Ų6026%0.26232%0.324SS..  trans-91.1119.2-170.9-144.3-21000112.2P228 L233P228-D231 HydrophobicContact CB-CB 4.07Å; P228-D231 HydrophobicContact CG-CB 4.06Å; D231-L233 WeakPolarHBondContact OD1-CG 3.3Å; D231-L233 PolarHBondContact OD1-N 2.83Å
232H49.7Very low73Confident172 Ų17259.2 Ų59.280%0.79632%0.319SS*.  trans-12524.2-179.9-68-41.1000111.5D234H232-D234 PolarHBondContact O-N 2.86Å
233L52.4Low71.9Confident84 Ų8462.9 Ų62.944%0.4434%0.336SS..  trans-62.8100.6173.8-72.7168.9000109.8Q190 D231 C235Q190-L233 PolarHBondContact NE2-O 3.27Å; Q190-L233 PolarHBondContact OE1-O 2.96Å; Q190-L233 VanDerWaalsContact OE1-O 3.08Å; D231-L233 WeakPolarHBondContact OD1-CG 3.3Å; D231-L233 PolarHBondContact OD1-N 2.83Å; L233-C235 PolarHBondContact O-N 3.01Å
234D55.5Low70.9Confident129 Ų12968.6 Ų68.669%0.6936%0.359SS*.  trans-72.5105.6-174-170.911.7000111.2H232 G236H232-D234 PolarHBondContact O-N 2.86Å; D234-G236 PolarHBondContact O-N 3.08Å; D234-G236 VanDerWaalsContact OD1-CA 3.26Å; D234-G236 WeakPolarHBondContact OD1-CA 3.35Å; D234-G236 PolarHBondContact OD1-N 3.4Å
235C57.2Low70.1Confident16 Ų1665 Ų6511%0.10834%0.342CS..THydrogen-bonded Turntrans-70.6-4.6168-640000113.3C188 L233 A237 G238 K239C188-C235 HydrophobicContact CB-CB 3.8Å; C188-C235 WeakPolarHBondContact CB-SG 3.37Å; C188-C235 WeakPolarHBondContact SG-CB 3.41Å; C188-C235 CovalentContact SG-SG 2Å; C188-C235 PolarHBondContact SG-SG 3.44Å; L233-C235 PolarHBondContact O-N 3.01Å; C235-A237 PolarHBondContact O-N 2.85Å; C235-A237 VanDerWaalsContact O-N 3.15Å; C235-G238 PolarHBondContact O-N 3.45Å; C235-K239 PolarHBondContact O-N 2.83Å
236G55.6Low68.9Low16 Ų1673.6 Ų73.617%0.16538%0.382CS..Hα-helixtrans-54.7-33.3-175.800000113.5D234 G238 K239 D240D234-G236 PolarHBondContact O-N 3.08Å; D234-G236 VanDerWaalsContact OD1-CA 3.26Å; D234-G236 WeakPolarHBondContact OD1-CA 3.35Å; D234-G236 PolarHBondContact OD1-N 3.4Å; G236-G238 PolarHBondContact O-N 3.1Å; G236-K239 PolarHBondContact O-N 3.42Å; G236-D240 WeakPolarHBondContact O-CB 3.23Å; G236-D240 PolarHBondContact O-N 3.22Å
237A60.9Low68.2Low43 Ų4381.1 Ų81.136%0.35542%0.417SS..Hα-helixtrans-64.3-41.6-176.600000113.4C235 S263C235-A237 PolarHBondContact O-N 2.85Å; C235-A237 VanDerWaalsContact O-N 3.15Å; A237-S263 WeakPolarHBondContact CB-O 3.43Å
238G60.5Low68Low0 Ų081.7 Ų81.70%042%0.421CS..Hα-helixtrans-73.8-44176.300000112.4C235 G236 D240 S241C235-G238 PolarHBondContact O-N 3.45Å; G236-G238 PolarHBondContact O-N 3.1Å; G238-D240 PolarHBondContact O-N 2.85Å; G238-S241 WeakPolarHBondContact O-CB 3.45Å; G238-S241 PolarHBondContact O-N 2.91Å
239K64.5Low68.2Low98 Ų9880.1 Ų80.143%0.42641%0.411SS..Hα-helixtrans-58.7-47.2178.7-174.8176.8180177.10111.9C186 C235 G236 S241 E243C186-K239 HydrophobicContact CB-CB 4.37Å; C186-K239 HydrophobicContact CB-CG 4.44Å; C235-K239 PolarHBondContact O-N 2.83Å; G236-K239 PolarHBondContact O-N 3.42Å; K239-S241 PolarHBondContact O-N 2.92Å; K239-E243 WeakPolarHBondContact CE-OE1 3.4Å; K239-E243 WeakPolarHBondContact CE-OE2 3.44Å; K239-E243 HydrophobicContact CG-CG 4.22Å; K239-E243 WeakPolarHBondContact CG-OE1 3.23Å; K239-E243 WeakPolarHBondContact CG-OE2 3.24Å; K239-E243 WeakPolarHBondContact O-CB 3.37Å; K239-E243 WeakPolarHBondContact O-CG 3.42Å; K239-E243 PolarHBondContact O-N 2.75Å; K239-E243 VanDerWaalsContact O-N 3.12Å
240D70.7Confident69.2Low68 Ų6876 Ų7636%0.36439%0.386SS..Hα-helixtrans-62.4-30.1179.4-79.4-15.2000112.8G236 G238 K244G236-D240 WeakPolarHBondContact O-CB 3.23Å; G236-D240 PolarHBondContact O-N 3.22Å; G238-D240 PolarHBondContact O-N 2.85Å; D240-K244 HydrophobicContact CB-CD 4.04Å; D240-K244 VanDerWaalsContact CG-CE 3.41Å; D240-K244 VanDerWaalsContact O-CB 3.26Å; D240-K244 WeakPolarHBondContact O-CB 3.37Å; D240-K244 VanDerWaalsContact O-CG 3.31Å; D240-K244 WeakPolarHBondContact O-CG 3.27Å; D240-K244 PolarHBondContact O-N 2.93Å; D240-K244 WeakPolarHBondContact OD1-CE 3.49Å; D240-K244 IonicContact OD1-NZ 2.81Å; D240-K244 PolarHBondContact OD1-NZ 3.37Å; D240-K244 IonicContact OD2-NZ 3.93Å; D240-K244 PolarHBondContact OD2-NZ 3.31Å
241S70.9Confident70.6Confident30 Ų3069.1 Ų69.121%0.2136%0.356CS..Hα-helixtrans-66.3-39.7-175.1-172.60000112.9G238 K239 Q245G238-S241 WeakPolarHBondContact O-CB 3.45Å; G238-S241 PolarHBondContact O-N 2.91Å; K239-S241 PolarHBondContact O-N 2.92Å; S241-Q245 VanDerWaalsContact O-CG 3.3Å; S241-Q245 WeakPolarHBondContact O-CG 3.45Å; S241-Q245 PolarHBondContact O-NE2 3.15Å
242L77.4Confident72.4Confident1 Ų169.5 Ų69.51%0.00536%0.356CS..Hα-helixtrans-100.3-35.9-178.9-78.1169.7000113.6F10 R16 V184 K244 Q245 I249 T253 M254 T257F10-L242 HydrophobicContact CB-CD1 3.97Å; F10-L242 HydrophobicContact CD1-CD1 3.43Å; F10-L242 VanDerWaalsContact CD1-CD1 3.43Å; F10-L242 HydrophobicContact CD2-CD1 4.4Å; F10-L242 HydrophobicContact CE1-CD1 3.92Å; F10-L242 HydrophobicContact CG-CD1 3.68Å; R16-L242 PolarHBondContact NH2-O 3.06Å; V184-L242 HydrophobicContact CG1-CB 4.09Å; L242-K244 VanDerWaalsContact C-N 3.27Å; L242-K244 PolarHBondContact O-N 2.96Å; L242-Q245 PolarHBondContact O-N 2.8Å; L242-I249 HydrophobicContact CB-CD1 4.46Å; L242-I249 HydrophobicContact CD2-CD1 3.93Å; L242-I249 HydrophobicContact CD2-CG1 4.09Å; L242-I249 HydrophobicContact CD2-CG2 4.46Å; L242-T253 HydrophobicContact CD2-CG2 4.11Å; L242-M254 HydrophobicContact CD1-CE 4.22Å; L242-M254 HydrophobicContact CD1-SD 4.07Å; L242-T257 HydrophobicContact CD1-CG2 3.8Å; L242-T257 WeakPolarHBondContact CD2-OG1 3.23Å; L242-T257 HydrophobicContact CG-CG2 3.95Å
243E74.3Confident74.6Confident78 Ų7862.6 Ų62.636%0.36433%0.326SS..Hα-helixtrans-65.8-32.4-179.1-71.3-176.4177.400112.1V184 K239V184-E243 HydrophobicContact CB-CG 4.45Å; V184-E243 HydrophobicContact CG1-CG 4.43Å; K239-E243 WeakPolarHBondContact CE-OE1 3.4Å; K239-E243 WeakPolarHBondContact CE-OE2 3.44Å; K239-E243 HydrophobicContact CG-CG 4.22Å; K239-E243 WeakPolarHBondContact CG-OE1 3.23Å; K239-E243 WeakPolarHBondContact CG-OE2 3.24Å; K239-E243 WeakPolarHBondContact O-CB 3.37Å; K239-E243 WeakPolarHBondContact O-CG 3.42Å; K239-E243 PolarHBondContact O-N 2.75Å; K239-E243 VanDerWaalsContact O-N 3.12Å
244K73.9Confident76.6Confident137 Ų13758.6 Ų58.660%0.59631%0.305SS*.THydrogen-bonded Turntrans-86.2-8.4-178.2-61.4177.1-179.9169.50114.4D240 L242 E246D240-K244 HydrophobicContact CB-CD 4.04Å; D240-K244 VanDerWaalsContact CG-CE 3.41Å; D240-K244 VanDerWaalsContact O-CB 3.26Å; D240-K244 WeakPolarHBondContact O-CB 3.37Å; D240-K244 VanDerWaalsContact O-CG 3.31Å; D240-K244 WeakPolarHBondContact O-CG 3.27Å; D240-K244 PolarHBondContact O-N 2.93Å; D240-K244 WeakPolarHBondContact OD1-CE 3.49Å; D240-K244 IonicContact OD1-NZ 2.81Å; D240-K244 PolarHBondContact OD1-NZ 3.37Å; D240-K244 IonicContact OD2-NZ 3.93Å; D240-K244 PolarHBondContact OD2-NZ 3.31Å; L242-K244 VanDerWaalsContact C-N 3.27Å; L242-K244 PolarHBondContact O-N 2.96Å; K244-E246 PolarHBondContact O-N 2.91Å
245Q76.8Confident78.6Confident62 Ų6252.5 Ų52.529%0.2927%0.272SS..  trans-72.2119.8179.7-79.9-176.727.800111R16 S241 L242 E247R16-Q245 PolarHBondContact NH1-O 3.31Å; R16-Q245 PolarHBondContact NH2-O 3.41Å; S241-Q245 VanDerWaalsContact O-CG 3.3Å; S241-Q245 WeakPolarHBondContact O-CG 3.45Å; S241-Q245 PolarHBondContact O-NE2 3.15Å; L242-Q245 PolarHBondContact O-N 2.8Å; Q245-E247 VanDerWaalsContact C-N 3.31Å; Q245-E247 PolarHBondContact O-N 2.85Å
246E71.2Confident80.4Confident191 Ų19155.7 Ų55.789%0.89329%0.289SS*.  trans-71.3-28.2179-64.8-175.1171.100112.6K244K244-E246 PolarHBondContact O-N 2.91Å
247E81.1Confident82.2Confident157 Ų15755.2 Ų55.273%0.73428%0.282SS*.SBendtrans-71.8158.2179.8-62.3-176.4176.400112.4R16 Q245R16-E247 PolarHBondContact NH1-O 2.64Å; Q245-E247 VanDerWaalsContact C-N 3.31Å; Q245-E247 PolarHBondContact O-N 2.85Å
248S89.2Confident83.9Confident48 Ų4853.1 Ų53.134%0.33627%0.265SS..PPolyproline II helixtrans-70.9127.2174.557.60000110.6R16 K18 T250R16-S248 CarbonylContact O-C 3.56Å; R16-S248 VanDerWaalsContact O-CA 3.32Å; R16-S248 WeakPolarHBondContact O-CA 3.45Å; K18-S248 WeakPolarHBondContact CG-OG 3.24Å; S248-T250 PolarHBondContact O-N 3.48Å
249I93.5Very high85.6Confident0 Ų054.4 Ų54.40%027%0.27CS..BIsolated β-bridgetrans-66.9124179-64.1166000109.3A12 R16 A17 K18 V184 L242 T253 M254A12-I249 HydrophobicContact CB-CB 4.15Å; A12-I249 HydrophobicContact CB-CD1 3.62Å; A12-I249 HydrophobicContact CB-CG1 4.49Å; A12-I249 HydrophobicContact CB-CG2 4.11Å; R16-I249 PolarHBondContact O-N 3.02Å; A17-I249 WeakPolarHBondContact CA-O 3.5Å; K18-I249 PolarHBondContact N-O 3.17Å; V184-I249 HydrophobicContact CG1-CD1 4.32Å; V184-I249 HydrophobicContact CG2-CD1 3.48Å; V184-I249 VanDerWaalsContact CG2-CD1 3.48Å; L242-I249 HydrophobicContact CB-CD1 4.46Å; L242-I249 HydrophobicContact CD2-CD1 3.93Å; L242-I249 HydrophobicContact CD2-CG1 4.09Å; L242-I249 HydrophobicContact CD2-CG2 4.46Å; I249-T253 HydrophobicContact CG2-CG2 4.35Å; I249-M254 HydrophobicContact CG2-CE 4.45Å
250T94.8Very high86.9Confident41 Ų4152.1 Ų52.125%0.25226%0.263SS..  trans-105.3170.7172.666.60000110.5K18 S248 Q252 T253 M254K18-T250 HydrophobicContact CB-CG2 4.11Å; K18-T250 HydrophobicContact CD-CG2 3.65Å; K18-T250 HydrophobicContact CG-CG2 4.49Å; S248-T250 PolarHBondContact O-N 3.48Å; T250-Q252 PolarHBondContact O-N 2.97Å; T250-Q252 PolarHBondContact OG1-N 2.82Å; T250-T253 PolarHBondContact N-OG1 3.45Å; T250-T253 WeakPolarHBondContact O-CB 3.39Å; T250-T253 PolarHBondContact O-N 3.32Å; T250-T253 VanDerWaalsContact O-N 3.17Å; T250-T253 PolarHBondContact OG1-N 2.92Å; T250-T253 PolarHBondContact OG1-OG1 3.14Å; T250-M254 PolarHBondContact O-N 3Å
251V95.9Very high87.9Confident31 Ų3152.2 Ų52.219%0.18826%0.26CS..Hα-helixtrans-53.8-41.8168.862.70000111.8M254 M255 V279 V281 Y293 L380V251-M254 PolarHBondContact O-N 2.92Å; V251-M255 HydrophobicContact CG2-CE 3.76Å; V251-M255 HydrophobicContact CG2-SD 4.43Å; V251-M255 WeakPolarHBondContact O-CG 3.16Å; V251-M255 PolarHBondContact O-N 3.24Å; V251-V279 HydrophobicContact CG2-CG1 3.88Å; V251-V281 HydrophobicContact CB-CG2 3.8Å; V251-V281 HydrophobicContact CG2-CG2 3.79Å; V251-Y293 HydrophobicContact CG2-CD2 4.21Å; V251-Y293 HydrophobicContact CG2-CE2 3.81Å; V251-L380 HydrophobicContact CG1-CD2 3.91Å; V251-L380 HydrophobicContact CG2-CD2 4.08Å
252Q95.2Very high88.8Confident58 Ų5855.6 Ų55.627%0.27129%0.289SS..Hα-helixtrans-67-39.8178.2-174.56871.200111.8T250 M254 M255 N256T250-Q252 PolarHBondContact O-N 2.97Å; T250-Q252 PolarHBondContact OG1-N 2.82Å; Q252-M254 VanDerWaalsContact C-N 3.32Å; Q252-M254 PolarHBondContact O-N 3.19Å; Q252-M255 PolarHBondContact O-N 3.21Å; Q252-N256 PolarHBondContact NE2-OD1 2.9Å; Q252-N256 VanDerWaalsContact NE2-OD1 3.13Å; Q252-N256 WeakPolarHBondContact O-CB 3.15Å; Q252-N256 PolarHBondContact O-N 3.38Å; Q252-N256 PolarHBondContact O-ND2 2.79Å
253T94.6Very high89.2Confident27 Ų2756.8 Ų56.817%0.16630%0.298CS..Hα-helixtrans-57.6-48.1174.2-51.60000110.1L242 I249 T250 N256 T257L242-T253 HydrophobicContact CD2-CG2 4.11Å; I249-T253 HydrophobicContact CG2-CG2 4.35Å; T250-T253 PolarHBondContact N-OG1 3.45Å; T250-T253 WeakPolarHBondContact O-CB 3.39Å; T250-T253 PolarHBondContact O-N 3.32Å; T250-T253 VanDerWaalsContact O-N 3.17Å; T250-T253 PolarHBondContact OG1-N 2.92Å; T250-T253 PolarHBondContact OG1-OG1 3.14Å; T253-N256 PolarHBondContact O-N 3.13Å; T253-T257 PolarHBondContact O-N 3.33Å; T253-T257 PolarHBondContact O-OG1 2.97Å
254M96.1Very high89.9Confident0 Ų054.3 Ų54.30%029%0.293CS..Hα-helixtrans-61.5-47.5178.2-172.862.475.400112F10 V23 L242 I249 T250 V251 Q252 N256 T257 L258 V279F10-M254 HydrophobicContact CB-CE 3.67Å; F10-M254 HydrophobicContact CB-SD 3.72Å; F10-M254 HydrophobicContact CD2-SD 4.2Å; F10-M254 HydrophobicContact CG-SD 4.2Å; V23-M254 HydrophobicContact CB-CE 4.5Å; V23-M254 HydrophobicContact CG1-CB 3.73Å; V23-M254 HydrophobicContact CG1-CE 3.93Å; V23-M254 HydrophobicContact CG1-CG 4.01Å; L242-M254 HydrophobicContact CD1-CE 4.22Å; L242-M254 HydrophobicContact CD1-SD 4.07Å; I249-M254 HydrophobicContact CG2-CE 4.45Å; T250-M254 PolarHBondContact O-N 3Å; V251-M254 PolarHBondContact O-N 2.92Å; Q252-M254 VanDerWaalsContact C-N 3.32Å; Q252-M254 PolarHBondContact O-N 3.19Å; M254-N256 VanDerWaalsContact C-N 3.28Å; M254-N256 PolarHBondContact O-N 3.33Å; M254-T257 WeakPolarHBondContact O-CB 3.44Å; M254-T257 PolarHBondContact O-N 2.97Å; M254-L258 WeakPolarHBondContact O-CG 3.35Å; M254-L258 PolarHBondContact O-N 3.31Å; M254-V279 HydrophobicContact CB-CG1 4.21Å; M254-V279 HydrophobicContact CB-CG2 4.49Å; M254-V279 HydrophobicContact CG-CG1 3.99Å; M254-V279 HydrophobicContact CG-CG2 3.91Å
255M96.9Very high90.7Very high0 Ų047.8 Ų47.80%027%0.265CS..Hα-helixtrans-58.2-40.5176.2-70.5177.9176.300112V251 Q252 L258 R259 V279 Y293 F305 L380V251-M255 HydrophobicContact CG2-CE 3.76Å; V251-M255 HydrophobicContact CG2-SD 4.43Å; V251-M255 WeakPolarHBondContact O-CG 3.16Å; V251-M255 PolarHBondContact O-N 3.24Å; Q252-M255 PolarHBondContact O-N 3.21Å; M255-L258 PolarHBondContact O-N 3.25Å; M255-R259 VanDerWaalsContact O-CG 3.22Å; M255-R259 WeakPolarHBondContact O-CG 3.22Å; M255-R259 PolarHBondContact O-N 2.93Å; M255-R259 VanDerWaalsContact O-N 3.13Å; M255-V279 HydrophobicContact CE-CB 4.46Å; M255-V279 HydrophobicContact CG-CB 4.48Å; M255-V279 HydrophobicContact CG-CG2 3.85Å; M255-Y293 HydrophobicContact CE-CD1 3.6Å; M255-Y293 HydrophobicContact CE-CD2 4.09Å; M255-Y293 HydrophobicContact CE-CE1 4.13Å; M255-Y293 HydrophobicContact CE-CG 3.57Å; M255-F305 HydrophobicContact CB-CD2 4.1Å; M255-F305 HydrophobicContact CB-CE2 3.97Å; M255-F305 HydrophobicContact CE-CB 3.31Å; M255-F305 HydrophobicContact CE-CD1 4.14Å; M255-F305 HydrophobicContact CE-CD2 4.3Å; M255-F305 HydrophobicContact CE-CG 3.69Å; M255-F305 HydrophobicContact CG-CB 4.5Å; M255-F305 HydrophobicContact CG-CD1 4.29Å; M255-F305 HydrophobicContact CG-CD2 3.75Å; M255-F305 HydrophobicContact CG-CE1 4.46Å; M255-F305 HydrophobicContact CG-CE2 3.95Å; M255-F305 HydrophobicContact CG-CG 3.93Å; M255-F305 HydrophobicContact CG-CZ 4.3Å; M255-F305 HydrophobicContact SD-CB 3.82Å; M255-F305 HydrophobicContact SD-CD2 3.88Å; M255-F305 HydrophobicContact SD-CG 3.89Å; M255-L380 HydrophobicContact CE-CD2 3.85Å; M255-L380 HydrophobicContact SD-CD1 4.09Å; M255-L380 HydrophobicContact SD-CD2 4.14Å
256N95.1Very high91.6Very high84 Ų8445 Ų4545%0.44925%0.252SS..Hα-helixtrans-67.5-39.5178-69.5-16.4000112.1Q252 T253 M254 R259 D260Q252-N256 PolarHBondContact NE2-OD1 2.9Å; Q252-N256 VanDerWaalsContact NE2-OD1 3.13Å; Q252-N256 WeakPolarHBondContact O-CB 3.15Å; Q252-N256 PolarHBondContact O-N 3.38Å; Q252-N256 PolarHBondContact O-ND2 2.79Å; T253-N256 PolarHBondContact O-N 3.13Å; M254-N256 VanDerWaalsContact C-N 3.28Å; M254-N256 PolarHBondContact O-N 3.33Å; N256-R259 WeakPolarHBondContact O-CB 3.24Å; N256-R259 PolarHBondContact O-N 3.38Å; N256-D260 PolarHBondContact O-N 3.24Å
257T93.9Very high92.7Very high5 Ų536.8 Ų36.83%0.03121%0.214CC..Hα-helixtrans-60.1-46.8172.7-63.20000111.1F10 L242 T253 M254 R259 D260 V265F10-T257 HydrophobicContact CE1-CG2 4.46Å; F10-T257 HydrophobicContact CE2-CG2 4.18Å; F10-T257 HydrophobicContact CZ-CG2 4.03Å; L242-T257 HydrophobicContact CD1-CG2 3.8Å; L242-T257 WeakPolarHBondContact CD2-OG1 3.23Å; L242-T257 HydrophobicContact CG-CG2 3.95Å; T253-T257 PolarHBondContact O-N 3.33Å; T253-T257 PolarHBondContact O-OG1 2.97Å; M254-T257 WeakPolarHBondContact O-CB 3.44Å; M254-T257 PolarHBondContact O-N 2.97Å; T257-R259 PolarHBondContact O-N 3.03Å; T257-D260 WeakPolarHBondContact O-CB 3.22Å; T257-D260 PolarHBondContact O-N 3.4Å; T257-V265 HydrophobicContact CG2-CG1 4.4Å; T257-V265 VanDerWaalsContact O-CG1 3.27Å; T257-V265 WeakPolarHBondContact O-CG1 3.26Å
258L95.7Very high93.2Very high0 Ų032.4 Ų32.40%020%0.196CC..Hα-helixtrans-63.8-22.4178.6-66.2-176.4000113.4F10 N27 M254 M255 V265 C266 G278 V279 P300 F305F10-L258 HydrophobicContact CD2-CD2 3.89Å; F10-L258 HydrophobicContact CE2-CD2 3.82Å; N27-L258 HydrophobicContact CB-CD2 4.41Å; N27-L258 PolarHBondContact ND2-O 3.4Å; N27-L258 WeakPolarHBondContact OD1-CB 3.29Å; N27-L258 PolarHBondContact OD1-O 2.84Å; M254-L258 WeakPolarHBondContact O-CG 3.35Å; M254-L258 PolarHBondContact O-N 3.31Å; M255-L258 PolarHBondContact O-N 3.25Å; L258-V265 HydrophobicContact CD2-CG1 4.45Å; L258-C266 WeakPolarHBondContact O-CB 3.12Å; L258-G278 WeakPolarHBondContact CD1-O 3.35Å; L258-V279 HydrophobicContact CD1-CG2 3.53Å; L258-P300 VanDerWaalsContact O-CG 3.23Å; L258-P300 WeakPolarHBondContact O-CG 3.37Å; L258-F305 HydrophobicContact CB-CZ 4.34Å; L258-F305 HydrophobicContact CD1-CE1 4.29Å; L258-F305 HydrophobicContact CD1-CZ 4.17Å
259R95.3Very high93.4Very high27 Ų2732.3 Ų32.310%0.10220%0.195CC..THydrogen-bonded Turntrans-84.8-10.3175.4-73.1178167.7133.9-2114.5M255 N256 T257 K261 P300 S303 E376M255-R259 VanDerWaalsContact O-CG 3.22Å; M255-R259 WeakPolarHBondContact O-CG 3.22Å; M255-R259 PolarHBondContact O-N 2.93Å; M255-R259 VanDerWaalsContact O-N 3.13Å; N256-R259 WeakPolarHBondContact O-CB 3.24Å; N256-R259 PolarHBondContact O-N 3.38Å; T257-R259 PolarHBondContact O-N 3.03Å; R259-K261 PolarHBondContact O-N 3.39Å; R259-P300 HydrophobicContact CG-CB 4.09Å; R259-P300 WeakPolarHBondContact CG-O 3.48Å; R259-P300 PolarHBondContact NE-O 3.48Å; R259-S303 PolarHBondContact NH2-O 2.87Å; R259-E376 IonicContact CZ-OE1 2.57Å; R259-E376 VanDerWaalsContact CZ-OE1 3.26Å; R259-E376 IonicContact CZ-OE2 2.58Å; R259-E376 IonicContact NH1-OE1 2.7Å; R259-E376 PolarHBondContact NH1-OE1 3.48Å; R259-E376 IonicContact NH1-OE2 2.63Å; R259-E376 IonicContact NH2-OE1 3.54Å; R259-E376 PolarHBondContact NH2-OE1 2.87Å; R259-E376 IonicContact NH2-OE2 2.7Å; R259-E376 PolarHBondContact NH2-OE2 3.15Å
260D93.4Very high93.2Very high50 Ų5040 Ų4027%0.26723%0.231SC..  trans-76.798-167.9-1743.1000111.9N256 T257 A262 S263 V265 C266N256-D260 PolarHBondContact O-N 3.24Å; T257-D260 WeakPolarHBondContact O-CB 3.22Å; T257-D260 PolarHBondContact O-N 3.4Å; D260-A262 VanDerWaalsContact C-N 3.33Å; D260-A262 WeakPolarHBondContact OD1-CA 3.31Å; D260-A262 WeakPolarHBondContact OD1-CB 3.35Å; D260-A262 PolarHBondContact OD1-N 3.15Å; D260-S263 WeakPolarHBondContact CB-OG 3.33Å; D260-S263 PolarHBondContact O-OG 3.46Å; D260-S263 PolarHBondContact OD1-N 2.85Å; D260-S263 VanDerWaalsContact OD1-N 3.13Å; D260-S263 WeakPolarHBondContact OD2-CB 3.42Å; D260-S263 PolarHBondContact OD2-OG 3.44Å; D260-V265 PolarHBondContact O-N 3.03Å; D260-V265 VanDerWaalsContact O-N 3.17Å; D260-C266 PolarHBondContact O-N 3.49Å
261K91.4Very high93.1Very high69 Ų6944.7 Ų44.730%0.325%0.248SC..THydrogen-bonded Turntrans-71.7-27.7172.7-68.9-169.6172.6-178.20112.5R259 G264 C266 D268 D299 S301R259-K261 PolarHBondContact O-N 3.39Å; K261-G264 PolarHBondContact O-N 2.87Å; K261-C266 HydrophobicContact CG-CB 3.75Å; K261-D268 HydrophobicContact CD-CB 4.47Å; K261-D268 IonicContact NZ-OD2 3.91Å; K261-D268 PolarHBondContact NZ-OD2 2.86Å; K261-D299 WeakPolarHBondContact CE-OD1 3.45Å; K261-D299 VanDerWaalsContact NZ-CG 3.33Å; K261-D299 IonicContact NZ-OD1 2.66Å; K261-D299 PolarHBondContact NZ-OD1 2.71Å; K261-D299 IonicContact NZ-OD2 3.32Å; K261-D299 PolarHBondContact NZ-OD2 2.75Å; K261-S301 WeakPolarHBondContact CE-OG 3.16Å
262A88.9Confident93Very high101 Ų10144.6 Ų44.684%0.83525%0.246SC*.THydrogen-bonded Turntrans-74.3-36.3-17300000112D260 G264D260-A262 VanDerWaalsContact C-N 3.33Å; D260-A262 WeakPolarHBondContact OD1-CA 3.31Å; D260-A262 WeakPolarHBondContact OD1-CB 3.35Å; D260-A262 PolarHBondContact OD1-N 3.15Å; A262-G264 VanDerWaalsContact C-N 3.27Å
263S86.7Confident93.1Very high26 Ų2641.9 Ų41.918%0.18223%0.233CC..THydrogen-bonded Turntrans-78.3-10.2169.759.30000113.5A237 D260 V265A237-S263 WeakPolarHBondContact CB-O 3.43Å; D260-S263 WeakPolarHBondContact CB-OG 3.33Å; D260-S263 PolarHBondContact O-OG 3.46Å; D260-S263 PolarHBondContact OD1-N 2.85Å; D260-S263 VanDerWaalsContact OD1-N 3.13Å; D260-S263 WeakPolarHBondContact OD2-CB 3.42Å; D260-S263 PolarHBondContact OD2-OG 3.44Å; S263-V265 VanDerWaalsContact C-N 3.33Å; S263-V265 WeakPolarHBondContact OG-CG2 3.47Å
264G88.2Confident93.2Very high26 Ų2640.6 Ų40.627%0.26823%0.225SC..THydrogen-bonded Turntrans80.810.2-176.400000114.3Y8 K261 A262 I267Y8-G264 VanDerWaalsContact CE2-O 3.28Å; Y8-G264 WeakPolarHBondContact CE2-O 3.03Å; K261-G264 PolarHBondContact O-N 2.87Å; A262-G264 VanDerWaalsContact C-N 3.27Å; G264-I267 WeakPolarHBondContact O-CD1 3.48Å
265V91.4Very high93.2Very high0 Ų040.8 Ų40.80%023%0.226CC..SBendtrans-68.6-42.91721740000110.9Y8 F10 N27 T257 L258 D260 S263 I267Y8-V265 HydrophobicContact CD2-CB 4.46Å; Y8-V265 HydrophobicContact CD2-CG1 4.34Å; Y8-V265 HydrophobicContact CG-CG1 4.33Å; F10-V265 HydrophobicContact CE2-CG1 3.99Å; F10-V265 HydrophobicContact CZ-CG1 4.1Å; F10-V265 HydrophobicContact CZ-CG2 4.21Å; N27-V265 PolarHBondContact ND2-O 3.34Å; T257-V265 HydrophobicContact CG2-CG1 4.4Å; T257-V265 VanDerWaalsContact O-CG1 3.27Å; T257-V265 WeakPolarHBondContact O-CG1 3.26Å; L258-V265 HydrophobicContact CD2-CG1 4.45Å; D260-V265 PolarHBondContact O-N 3.03Å; D260-V265 VanDerWaalsContact O-N 3.17Å; S263-V265 VanDerWaalsContact C-N 3.33Å; S263-V265 WeakPolarHBondContact OG-CG2 3.47Å; V265-I267 PolarHBondContact O-N 2.56Å
266C94.4Very high93.3Very high3 Ų340.8 Ų40.82%0.0223%0.226CC..SBendtrans-89.4102171.4-179.50000110L258 D260 K261 P300L258-C266 WeakPolarHBondContact O-CB 3.12Å; D260-C266 PolarHBondContact O-N 3.49Å; K261-C266 HydrophobicContact CG-CB 3.75Å; C266-P300 HydrophobicContact CB-CG 4.38Å
267I94.1Very high93.4Very high19 Ų1936.8 Ų36.810%0.09721%0.205CC..  trans-73.8132.9-179.3-53.1-61.4000112.3P6 Y8 A29 G264 V265 F272 T274P6-I267 HydrophobicContact CB-CD1 3.93Å; P6-I267 HydrophobicContact CB-CG1 4.32Å; P6-I267 HydrophobicContact CG-CD1 3.67Å; P6-I267 HydrophobicContact CG-CG1 3.9Å; P6-I267 HydrophobicContact CG-CG2 4.18Å; P6-I267 WeakPolarHBondContact O-CG1 3.42Å; Y8-I267 HydrophobicContact CE2-CD1 4.38Å; A29-I267 HydrophobicContact CB-CB 4.17Å; A29-I267 HydrophobicContact CB-CG1 3.98Å; G264-I267 WeakPolarHBondContact O-CD1 3.48Å; V265-I267 PolarHBondContact O-N 2.56Å; I267-F272 HydrophobicContact CG2-CB 3.96Å; I267-T274 PolarHBondContact N-OG1 2.95Å; I267-T274 PolarHBondContact O-N 2.92Å; I267-T274 PolarHBondContact O-OG1 2.68Å
268D92.9Very high93.7Very high65 Ų6536.7 Ų36.735%0.34820%0.204SC..BIsolated β-bridgetrans-150.772.1171.9-164.38.8000108.7R32 K261 L273R32-D268 IonicContact CZ-OD1 3.22Å; R32-D268 IonicContact NH1-OD1 2.69Å; R32-D268 PolarHBondContact NH1-OD1 2.92Å; R32-D268 IonicContact NH2-OD1 3Å; R32-D268 PolarHBondContact NH2-OD1 3.18Å; K261-D268 HydrophobicContact CD-CB 4.47Å; K261-D268 IonicContact NZ-OD2 3.91Å; K261-D268 PolarHBondContact NZ-OD2 2.86Å; D268-L273 HydrophobicContact CB-CD1 4.28Å
269S92Very high93.8Very high47 Ų4736.7 Ų36.733%0.32921%0.205SC..  trans-110.7171.1-17676.90000111.5R32 F271 F272R32-S269 PolarHBondContact NE-O 2.92Å; R32-S269 PolarHBondContact NH2-O 3.45Å; S269-F271 PolarHBondContact O-N 3.2Å; S269-F271 VanDerWaalsContact O-N 3.15Å; S269-F272 PolarHBondContact N-O 3.2Å; S269-F272 VanDerWaalsContact O-O 3.08Å; S269-F272 PolarHBondContact OG-N 3.49Å; S269-F272 VanDerWaalsContact OG-N 3.15Å; S269-F272 PolarHBondContact OG-O 3.43Å
270E91.1Very high94Very high160 Ų16035.6 Ų35.675%0.74820%0.201SC*.SBendtrans-52.2-41.3-179.5-175.1175.1-177.400113.4R32R32-E270 WeakPolarHBondContact CD-O 3.41Å; R32-E270 PolarHBondContact NE-O 3.48Å
271F91.4Very high94.2Very high140 Ų14033.3 Ų33.361%0.61419%0.189SC*.SBendtrans-95.9-34-173.8-55.8-71.6000114R32 S269R32-F271 PolarHBondContact N-O 3.1Å; S269-F271 PolarHBondContact O-N 3.2Å; S269-F271 VanDerWaalsContact O-N 3.15Å
272F94.9Very high94.5Very high30 Ų3030 Ų3013%0.13218%0.175CC..EExtended strand (participates in β ladder)trans-122.5147-171.8-60.1-58.3000112P5 R30 P31 F144 I267 S269P5-F272 HydrophobicContact CB-CD1 4Å; P5-F272 HydrophobicContact CB-CE1 3.89Å; P5-F272 HydrophobicContact CB-CE2 4.49Å; P5-F272 HydrophobicContact CB-CG 4.36Å; P5-F272 HydrophobicContact CB-CZ 4.14Å; R30-F272 WeakPolarHBondContact O-CA 3.38Å; P31-F272 HydrophobicContact CG-CE1 4.39Å; F144-F272 HydrophobicContact CE1-CE1 4.36Å; F144-F272 HydrophobicContact CE2-CE1 4.2Å; F144-F272 HydrophobicContact CE2-CZ 4.48Å; F144-F272 AromaticContact CZ-CE1 3.69Å; F144-F272 HydrophobicContact CZ-CE1 3.69Å; F144-F272 HydrophobicContact CZ-CZ 4.12Å; I267-F272 HydrophobicContact CG2-CB 3.96Å; S269-F272 PolarHBondContact N-O 3.2Å; S269-F272 VanDerWaalsContact O-O 3.08Å; S269-F272 PolarHBondContact OG-N 3.49Å; S269-F272 VanDerWaalsContact OG-N 3.15Å; S269-F272 PolarHBondContact OG-O 3.43Å
273L95.8Very high94.9Very high1 Ų125.4 Ų25.41%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-132.1145171.8178.663.1000108.1A29 R30 R32 D268 T275 P298 D299A29-L273 CarbonylContact C-O 3.43Å; A29-L273 VanDerWaalsContact CA-O 3.3Å; A29-L273 WeakPolarHBondContact CA-O 3.27Å; R30-L273 PolarHBondContact N-O 3.4Å; R30-L273 PolarHBondContact O-N 3.24Å; R32-L273 HydrophobicContact CG-CB 4.03Å; D268-L273 HydrophobicContact CB-CD1 4.28Å; L273-T275 HydrophobicContact CB-CG2 4.39Å; L273-T275 WeakPolarHBondContact O-CG2 3.37Å; L273-T275 PolarHBondContact O-N 3.3Å; L273-P298 HydrophobicContact CD2-CB 3.69Å; L273-P298 HydrophobicContact CG-CB 4.28Å; L273-D299 HydrophobicContact CD1-CB 4.32Å
274T97Very high95.4Very high0 Ų028.6 Ų28.60%015%0.148CC..EExtended strand (participates in β ladder)trans-65.8100.7163.5-55.70000107.8N27 S28 I267 P298 D299 P300N27-T274 HydrophobicContact CB-CG2 3.73Å; S28-T274 CarbonylContact O-C 3.54Å; S28-T274 WeakPolarHBondContact O-CA 3.28Å; I267-T274 PolarHBondContact N-OG1 2.95Å; I267-T274 PolarHBondContact O-N 2.92Å; I267-T274 PolarHBondContact O-OG1 2.68Å; T274-P298 CarbonylContact O-C 3.38Å; T274-P298 WeakPolarHBondContact O-CA 3.3Å; T274-D299 PolarHBondContact O-N 2.81Å; T274-P300 HydrophobicContact CG2-CG 3.94Å
275T97.5Very high95.6Very high3 Ų331.6 Ų31.62%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-86.1-19.4-171.855.90000113.1S28 R30 E34 Q36 L273 T297 P298S28-T275 PolarHBondContact O-N 2.87Å; S28-T275 PolarHBondContact O-OG1 3.06Å; R30-T275 HydrophobicContact CB-CG2 3.89Å; E34-T275 WeakPolarHBondContact O-CG2 3.43Å; Q36-T275 WeakPolarHBondContact CG-OG1 3.23Å; Q36-T275 PolarHBondContact NE2-OG1 3.29Å; L273-T275 HydrophobicContact CB-CG2 4.39Å; L273-T275 WeakPolarHBondContact O-CG2 3.37Å; L273-T275 PolarHBondContact O-N 3.3Å; T275-T297 CarbonylContact O-C 3.42Å; T275-P298 WeakPolarHBondContact O-CA 3.48Å
276A98Very high95.7Very high0 Ų039.8 Ų39.80%019%0.189CC..EExtended strand (participates in β ladder)trans-159.2165.2163.800000111.5S28 Q36 S71 M81S28-A276 PolarHBondContact N-O 3.36Å; Q36-A276 HydrophobicContact CB-CB 4.06Å; Q36-A276 VanDerWaalsContact NE2-N 3.16Å; S71-A276 WeakPolarHBondContact OG-CB 3.09Å; M81-A276 HydrophobicContact CE-CB 4.45Å
277S98.5Very high95.5Very high1 Ų144.4 Ų44.41%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-138.8150.6175.2-50.90000110.8K26 N27 T295 P300K26-S277 CarbonylContact O-C 3.08Å; K26-S277 VanDerWaalsContact O-CA 3.23Å; K26-S277 WeakPolarHBondContact O-CA 3.12Å; N27-S277 VanDerWaalsContact OD1-CB 3.27Å; N27-S277 WeakPolarHBondContact OD1-CB 3.41Å; N27-S277 PolarHBondContact OD1-OG 3.06Å; S277-T295 PolarHBondContact N-OG1 2.96Å; S277-T295 PolarHBondContact O-N 3.26Å; S277-T295 PolarHBondContact O-OG1 2.55Å; S277-P300 VanDerWaalsContact OG-CB 3.29Å; S277-P300 WeakPolarHBondContact OG-CB 3.31Å; S277-P300 VanDerWaalsContact OG-CG 3.24Å; S277-P300 WeakPolarHBondContact OG-CG 3.32Å
278G98.5Very high95.5Very high2 Ų244 Ų442%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-137.4146.1176.500000111.6G25 K26 M81 L258 Y293G25-G278 CarbonylContact C-O 3.49Å; G25-G278 VanDerWaalsContact CA-O 3.32Å; G25-G278 WeakPolarHBondContact CA-O 3.44Å; K26-G278 PolarHBondContact N-O 3.4Å; K26-G278 PolarHBondContact O-N 2.87Å; M81-G278 PolarHBondContact SD-N 2.74Å; M81-G278 VanDerWaalsContact SD-N 3.37Å; L258-G278 WeakPolarHBondContact CD1-O 3.35Å; G278-Y293 CarbonylContact C-O 3.53Å; G278-Y293 WeakPolarHBondContact CA-O 3.43Å
279V98.7Very high95.7Very high1 Ų142.1 Ų42.11%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-131.4138.6171.6177.90000107.9V23 F24 V251 M254 M255 L258 H292 Y293 F305V23-V279 HydrophobicContact CG1-CG1 4.3Å; F24-V279 CarbonylContact O-C 3.44Å; F24-V279 VanDerWaalsContact O-CA 3.26Å; F24-V279 WeakPolarHBondContact O-CA 3.33Å; F24-V279 WeakPolarHBondContact O-CG1 3.2Å; V251-V279 HydrophobicContact CG2-CG1 3.88Å; M254-V279 HydrophobicContact CB-CG1 4.21Å; M254-V279 HydrophobicContact CB-CG2 4.49Å; M254-V279 HydrophobicContact CG-CG1 3.99Å; M254-V279 HydrophobicContact CG-CG2 3.91Å; M255-V279 HydrophobicContact CE-CB 4.46Å; M255-V279 HydrophobicContact CG-CB 4.48Å; M255-V279 HydrophobicContact CG-CG2 3.85Å; L258-V279 HydrophobicContact CD1-CG2 3.53Å; V279-H292 CarbonylContact O-C 3.58Å; V279-Y293 PolarHBondContact N-O 3.07Å; V279-Y293 PolarHBondContact O-N 2.83Å; V279-F305 HydrophobicContact CG2-CD1 4.17Å; V279-F305 HydrophobicContact CG2-CE1 3.78Å; V279-F305 HydrophobicContact CG2-CZ 4.37Å
280S98.8Very high96Very high4 Ų440.6 Ų40.63%0.02820%0.201CC..EExtended strand (participates in β ladder)trans-128.1141.4173.6-63.20000110.4V23 F24 C89 I291 H292V23-S280 WeakPolarHBondContact CA-O 3.04Å; F24-S280 PolarHBondContact N-O 3.19Å; F24-S280 PolarHBondContact O-N 2.99Å; C89-S280 VanDerWaalsContact SG-CB 3.51Å; S280-I291 CarbonylContact C-O 3.4Å; S280-I291 WeakPolarHBondContact CA-O 3.32Å; S280-H292 WeakPolarHBondContact CB-ND1 3.29Å; S280-H292 PolarHBondContact OG-ND1 3.3Å
281V98.2Very high96.3Very high2 Ų233 Ų331%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-116.7117.9176.51800000107.4L21 V22 V251 C290 I291 Y293 L387L21-V281 HydrophobicContact CB-CG1 4Å; L21-V281 HydrophobicContact CD1-CG1 3.8Å; L21-V281 HydrophobicContact CD2-CG1 3.96Å; L21-V281 HydrophobicContact CG-CG1 4.13Å; V22-V281 WeakPolarHBondContact O-CA 3.47Å; V251-V281 HydrophobicContact CB-CG2 3.8Å; V251-V281 HydrophobicContact CG2-CG2 3.79Å; V281-C290 WeakPolarHBondContact O-CA 3.36Å; V281-I291 PolarHBondContact N-O 3.21Å; V281-I291 PolarHBondContact O-N 2.78Å; V281-Y293 HydrophobicContact CG2-CE2 4.04Å; V281-L387 HydrophobicContact CG1-CD1 4Å
282L98.5Very high96.7Very high0 Ų026.3 Ų26.30%014%0.136CC..EExtended strand (participates in β ladder)trans-118.398.7-175.7-40.6174.2000108.1V22 V160 R162 C290V22-L282 HydrophobicContact CB-CB 4.2Å; V22-L282 PolarHBondContact N-O 2.57Å; V22-L282 PolarHBondContact O-N 3.39Å; V160-L282 HydrophobicContact CG1-CD1 4.04Å; R162-L282 HydrophobicContact CG-CB 4Å; L282-C290 HydrophobicContact CD2-CB 3.87Å; L282-C290 VanDerWaalsContact CD2-SG 3.59Å
283P97.2Very high96.8Very high4 Ų425 Ų253%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-64.6139.9-179.8-22.234.2000111.5L21 R162 N285 P289 L387L21-P283 HydrophobicContact CD2-CB 3.83Å; L21-P283 HydrophobicContact CD2-CG 3.85Å; R162-P283 WeakPolarHBondContact CD-O 3.29Å; R162-P283 WeakPolarHBondContact CG-O 3.21Å; R162-P283 PolarHBondContact NH1-O 3.38Å; P283-N285 PolarHBondContact O-N 3.49Å; P283-P289 WeakPolarHBondContact CD-O 2.96Å; P283-P289 WeakPolarHBondContact CG-O 3.41Å; P283-L387 HydrophobicContact CG-CD2 3.53Å
284Q95.6Very high97Very high92 Ų9225.2 Ų25.243%0.4313%0.131SC..SBendtrans-67-24.8170.2-72-174.9-4200111.7P14 G20 R286P14-Q284 HydrophobicContact CG-CG 4.47Å; G20-Q284 WeakPolarHBondContact O-CB 3.45Å; G20-Q284 WeakPolarHBondContact O-CG 3.33Å; G20-Q284 PolarHBondContact O-N 3.15Å; Q284-R286 PolarHBondContact O-N 3.38Å
285N94Very high97Very high90 Ų9025.2 Ų25.248%0.48113%0.131SC..SBendtrans-72.4107.5169.3-177.28.8000110.9R162 P283 S287 S288R162-N285 PolarHBondContact NH1-O 2.87Å; P283-N285 PolarHBondContact O-N 3.49Å; N285-S287 VanDerWaalsContact CG-OG 3.3Å; N285-S287 PolarHBondContact ND2-OG 3.3Å; N285-S287 PolarHBondContact O-N 2.99Å; N285-S287 PolarHBondContact OD1-N 2.7Å; N285-S287 VanDerWaalsContact OD1-N 3.09Å; N285-S287 PolarHBondContact OD1-OG 2.78Å; N285-S288 PolarHBondContact O-N 2.97Å
286R92.8Very high97Very high171 Ų17125.1 Ų25.165%0.64513%0.13SC*.THydrogen-bonded Turntrans-65.3-14.3-179.7-64.5-175.9179.2-97.6-0.1114.6D163 Q284 S288D163-R286 IonicContact OD1-NH2 2.56Å; D163-R286 IonicContact OD2-CZ 3.33Å; D163-R286 IonicContact OD2-NH2 2.96Å; D163-R286 PolarHBondContact OD2-NH2 3.1Å; Q284-R286 PolarHBondContact O-N 3.38Å; R286-S288 VanDerWaalsContact C-N 3.31Å
287S91.1Very high97Very high100 Ų10025.1 Ų25.170%0.69913%0.13SC*.THydrogen-bonded Turntrans-77.8-18.5171.975.50000113N285N285-S287 VanDerWaalsContact CG-OG 3.3Å; N285-S287 PolarHBondContact ND2-OG 3.3Å; N285-S287 PolarHBondContact O-N 2.99Å; N285-S287 PolarHBondContact OD1-N 2.7Å; N285-S287 VanDerWaalsContact OD1-N 3.09Å; N285-S287 PolarHBondContact OD1-OG 2.78Å
288S94.1Very high96.9Very high11 Ų1125.1 Ų25.18%0.07713%0.13CC..SBendtrans-90139.3177.6-59.10000110.2R162 N285 R286R162-S288 PolarHBondContact NH1-O 2.75Å; R162-S288 PolarHBondContact NH2-O 2.87Å; N285-S288 PolarHBondContact O-N 2.97Å; R286-S288 VanDerWaalsContact C-N 3.31Å
289P95.8Very high96.7Very high26 Ų2625 Ų2517%0.16913%0.129CC..PPolyproline II helixtrans-67.7152.5-179.130.2-36.7000111.8P283 I309 I386 L393P283-P289 WeakPolarHBondContact CD-O 2.96Å; P283-P289 WeakPolarHBondContact CG-O 3.41Å; P289-I309 HydrophobicContact CB-CG2 3.87Å; P289-I386 HydrophobicContact CG-CG2 3.67Å; P289-L393 HydrophobicContact CB-CD2 4.1Å; P289-L393 HydrophobicContact CG-CD2 4.14Å
290C97.9Very high96.6Very high14 Ų1425 Ų2510%0.09513%0.129CC..PPolyproline II helixtrans-75.4142.3162.2-66.70000109R162 V281 L282 H292R162-C290 VanDerWaalsContact CZ-SG 3.53Å; R162-C290 PolarHBondContact NH2-SG 3.4Å; V281-C290 WeakPolarHBondContact O-CA 3.36Å; L282-C290 HydrophobicContact CD2-CB 3.87Å; L282-C290 VanDerWaalsContact CD2-SG 3.59Å; C290-H292 WeakPolarHBondContact CB-NE2 3.15Å
291I98.3Very high96.3Very high0 Ų025.9 Ų25.90%014%0.135CC..EExtended strand (participates in β ladder)trans-122.5125.9178-49.3-176.1000108.8S280 V281 Y293 P307 I309 M383 L387S280-I291 CarbonylContact C-O 3.4Å; S280-I291 WeakPolarHBondContact CA-O 3.32Å; V281-I291 PolarHBondContact N-O 3.21Å; V281-I291 PolarHBondContact O-N 2.78Å; I291-Y293 HydrophobicContact CB-CE2 4.06Å; I291-Y293 HydrophobicContact CG2-CD2 4.27Å; I291-Y293 HydrophobicContact CG2-CE1 4.22Å; I291-Y293 HydrophobicContact CG2-CE2 3.54Å; I291-P307 HydrophobicContact CG2-CB 4.28Å; I291-I309 HydrophobicContact CB-CG1 4.49Å; I291-I309 HydrophobicContact CD1-CD1 4.29Å; I291-I309 HydrophobicContact CG1-CD1 4.06Å; I291-I309 HydrophobicContact CG1-CG1 4.14Å; I291-I309 HydrophobicContact CG2-CG1 4.21Å; I291-M383 HydrophobicContact CD1-CB 3.82Å; I291-M383 HydrophobicContact CD1-CG 4.25Å; I291-M383 HydrophobicContact CD1-SD 4.02Å; I291-M383 HydrophobicContact CG2-CG 4.08Å; I291-M383 HydrophobicContact CG2-SD 3.94Å; I291-L387 HydrophobicContact CD1-CD1 4.07Å; I291-L387 HydrophobicContact CD1-CD2 3.72Å; I291-L387 HydrophobicContact CD1-CG 3.62Å; I291-L387 HydrophobicContact CG1-CD2 4.13Å
292H98.7Very high96Very high0 Ų027.7 Ų27.70%014%0.142CC..EExtended strand (participates in β ladder)trans-117.2133.9-176.3-51.3-75.7000109.3A83 V279 S280 C290 F294 P307 F308 F310A83-H292 WeakPolarHBondContact CB-CE1 3.27Å; A83-H292 VanDerWaalsContact CB-ND1 3.28Å; A83-H292 WeakPolarHBondContact CB-ND1 3.46Å; V279-H292 CarbonylContact O-C 3.58Å; S280-H292 WeakPolarHBondContact CB-ND1 3.29Å; S280-H292 PolarHBondContact OG-ND1 3.3Å; C290-H292 WeakPolarHBondContact CB-NE2 3.15Å; H292-F294 HydrophobicContact CB-CE2 3.64Å; H292-F294 HydrophobicContact CB-CZ 4.02Å; H292-P307 CarbonylContact O-C 3.54Å; H292-P307 WeakPolarHBondContact O-CA 3.31Å; H292-F308 HydrophobicContact CB-CD1 4.39Å; H292-F308 PolarHBondContact N-O 2.91Å; H292-F308 WeakPolarHBondContact O-CA 3.46Å; H292-F308 WeakPolarHBondContact O-CB 3.3Å; H292-F308 PolarHBondContact O-N 2.79Å; H292-F310 AromaticContact CD2-CD2 3.8Å; H292-F310 AromaticContact CD2-CE2 3.65Å; H292-F310 AromaticContact NE2-CD2 3.73Å; H292-F310 AromaticContact NE2-CE2 3.61Å
293Y98.6Very high95.8Very high4 Ų427.9 Ų27.92%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-122.2132.6-176.7-55.3-102.4000109.9V251 M255 G278 V279 V281 I291 K306 P307 L380 M383V251-Y293 HydrophobicContact CG2-CD2 4.21Å; V251-Y293 HydrophobicContact CG2-CE2 3.81Å; M255-Y293 HydrophobicContact CE-CD1 3.6Å; M255-Y293 HydrophobicContact CE-CD2 4.09Å; M255-Y293 HydrophobicContact CE-CE1 4.13Å; M255-Y293 HydrophobicContact CE-CG 3.57Å; G278-Y293 CarbonylContact C-O 3.53Å; G278-Y293 WeakPolarHBondContact CA-O 3.43Å; V279-Y293 PolarHBondContact N-O 3.07Å; V279-Y293 PolarHBondContact O-N 2.83Å; V281-Y293 HydrophobicContact CG2-CE2 4.04Å; I291-Y293 HydrophobicContact CB-CE2 4.06Å; I291-Y293 HydrophobicContact CG2-CD2 4.27Å; I291-Y293 HydrophobicContact CG2-CE1 4.22Å; I291-Y293 HydrophobicContact CG2-CE2 3.54Å; Y293-K306 VanDerWaalsContact CA-O 3.28Å; Y293-K306 WeakPolarHBondContact CA-O 3.32Å; Y293-P307 HydrophobicContact CD1-CB 3.74Å; Y293-P307 HydrophobicContact CE1-CB 3.66Å; Y293-P307 HydrophobicContact CE1-CG 4.42Å; Y293-L380 HydrophobicContact CD1-CD2 4.42Å; Y293-L380 HydrophobicContact CE1-CD2 3.68Å; Y293-M383 HydrophobicContact CE1-CG 4.07Å; Y293-M383 WeakPolarHBondContact OH-CB 3.45Å; Y293-M383 WeakPolarHBondContact OH-CG 2.93Å
294F98.6Very high95.8Very high4 Ų428.2 Ų28.22%0.01815%0.145CC..EExtended strand (participates in β ladder)trans-129.3140.6-178.7-57.6-88.3000111.1V38 M69 H292 K306 F308 F402V38-F294 HydrophobicContact CG1-CB 4.12Å; V38-F294 HydrophobicContact CG1-CD1 4.38Å; V38-F294 HydrophobicContact CG1-CD2 4.27Å; V38-F294 HydrophobicContact CG1-CG 4Å; V38-F294 HydrophobicContact CG2-CB 3.91Å; V38-F294 HydrophobicContact CG2-CG 4.41Å; M69-F294 HydrophobicContact CB-CE2 4.32Å; M69-F294 HydrophobicContact CB-CZ 4.25Å; M69-F294 HydrophobicContact CE-CD2 4.19Å; M69-F294 HydrophobicContact CE-CE2 4.29Å; M69-F294 HydrophobicContact CG-CD2 4.16Å; M69-F294 HydrophobicContact CG-CE2 3.37Å; M69-F294 HydrophobicContact CG-CZ 3.62Å; H292-F294 HydrophobicContact CB-CE2 3.64Å; H292-F294 HydrophobicContact CB-CZ 4.02Å; F294-K306 PolarHBondContact N-O 2.75Å; F294-K306 WeakPolarHBondContact O-CE 3.44Å; F294-K306 PolarHBondContact O-N 2.78Å; F294-F308 HydrophobicContact CD2-CB 4.47Å; F294-F308 HydrophobicContact CE2-CB 4.31Å; F294-F402 HydrophobicContact CB-CE2 4.12Å; F294-F402 HydrophobicContact CD2-CE2 4.46Å
295T98.1Very high95.9Very high0 Ų024.1 Ų24.10%013%0.126CC..  trans-77.1-39.2170.863.90000111.8S277 T297 P300 I304 F305 K306S277-T295 PolarHBondContact N-OG1 2.96Å; S277-T295 PolarHBondContact O-N 3.26Å; S277-T295 PolarHBondContact O-OG1 2.55Å; T295-T297 PolarHBondContact O-N 2.85Å; T295-T297 PolarHBondContact O-OG1 2.78Å; T295-T297 PolarHBondContact OG1-O 3.01Å; T295-P300 HydrophobicContact CG2-CB 4.37Å; T295-I304 WeakPolarHBondContact CA-O 3.46Å; T295-F305 HydrophobicContact CG2-CD1 3.92Å; T295-F305 HydrophobicContact CG2-CD2 4.18Å; T295-F305 HydrophobicContact CG2-CE1 3.74Å; T295-F305 HydrophobicContact CG2-CE2 4.02Å; T295-F305 HydrophobicContact CG2-CG 4.14Å; T295-F305 HydrophobicContact CG2-CZ 3.8Å; T295-K306 WeakPolarHBondContact O-CE 3.23Å; T295-K306 PolarHBondContact O-NZ 2.79Å
296G97.2Very high96.1Very high1 Ų119.9 Ų19.91%0.0110%0.103CC..  trans54.216.8-173.900000114.8V38 H345V38-G296 VanDerWaalsContact CG2-CA 3.5Å; G296-H345 PolarHBondContact O-CE1 3.49Å; G296-H345 VanDerWaalsContact O-CE1 3.27Å
297T97Very high96.3Very high0 Ų012 Ų120%07%0.074CC..SBendtrans-151.3151.6-178.451.60000109.1T275 T295 S303 L347 H351T275-T297 CarbonylContact O-C 3.42Å; T295-T297 PolarHBondContact O-N 2.85Å; T295-T297 PolarHBondContact O-OG1 2.78Å; T295-T297 PolarHBondContact OG1-O 3.01Å; T297-S303 VanDerWaalsContact OG1-CB 3.24Å; T297-S303 WeakPolarHBondContact OG1-CB 3.39Å; T297-S303 PolarHBondContact OG1-OG 2.99Å; T297-L347 HydrophobicContact CG2-CD1 4.1Å; T297-L347 HydrophobicContact CG2-CD2 3.76Å; T297-L347 HydrophobicContact CG2-CG 3.55Å; T297-H351 HydrophobicContact CG2-CB 3.57Å
298P97Very high96.6Very high1 Ų17.5 Ų7.51%0.0064%0.042CC..SBendtrans-71.9166.2-179.630.6-37.3000112.7L273 T274 T275 S303 Y348 H351L273-P298 HydrophobicContact CD2-CB 3.69Å; L273-P298 HydrophobicContact CG-CB 4.28Å; T274-P298 CarbonylContact O-C 3.38Å; T274-P298 WeakPolarHBondContact O-CA 3.3Å; T275-P298 WeakPolarHBondContact O-CA 3.48Å; P298-S303 PolarHBondContact O-OG 3.06Å; P298-Y348 HydrophobicContact CG-CD2 4.5Å; P298-Y348 HydrophobicContact CG-CE2 3.87Å; P298-H351 PolarHBondContact O-CE1 2.82Å
299D95.6Very high96.8Very high0 Ų07.1 Ų7.10%04%0.039CC..  trans54.483.4178-169.8-7.9000112K261 L273 T274 S301 R302 S303 R355K261-D299 WeakPolarHBondContact CE-OD1 3.45Å; K261-D299 VanDerWaalsContact NZ-CG 3.33Å; K261-D299 IonicContact NZ-OD1 2.66Å; K261-D299 PolarHBondContact NZ-OD1 2.71Å; K261-D299 IonicContact NZ-OD2 3.32Å; K261-D299 PolarHBondContact NZ-OD2 2.75Å; L273-D299 HydrophobicContact CD1-CB 4.32Å; T274-D299 PolarHBondContact O-N 2.81Å; D299-S301 PolarHBondContact O-N 3.11Å; D299-S301 WeakPolarHBondContact OD1-CB 3.19Å; D299-S301 PolarHBondContact OD1-N 3.08Å; D299-S301 PolarHBondContact OD1-OG 3.25Å; D299-R302 HydrophobicContact CB-CB 4.41Å; D299-R302 CarbonylContact O-C 3.59Å; D299-R302 WeakPolarHBondContact O-CA 3.27Å; D299-R302 PolarHBondContact O-N 2.76Å; D299-R302 VanDerWaalsContact OD2-CD 3.27Å; D299-R302 WeakPolarHBondContact OD2-CD 3.46Å; D299-R302 WeakPolarHBondContact OD2-CG 3.34Å; D299-R302 IonicContact OD2-CZ 2.66Å; D299-R302 IonicContact OD2-NE 2.83Å; D299-S303 PolarHBondContact O-N 2.57Å; D299-S303 PolarHBondContact O-OG 3.47Å; D299-R355 IonicContact OD2-NH2 3.62Å
300P95.7Very high96.9Very high0 Ų07.6 Ų7.60%04%0.038CC..G310 helixtrans-56.4-26.5-179.922.8-35.3000113.1L258 R259 C266 T274 S277 T295 R302 S303 F305L258-P300 VanDerWaalsContact O-CG 3.23Å; L258-P300 WeakPolarHBondContact O-CG 3.37Å; R259-P300 HydrophobicContact CG-CB 4.09Å; R259-P300 WeakPolarHBondContact CG-O 3.48Å; R259-P300 PolarHBondContact NE-O 3.48Å; C266-P300 HydrophobicContact CB-CG 4.38Å; T274-P300 HydrophobicContact CG2-CG 3.94Å; S277-P300 VanDerWaalsContact OG-CB 3.29Å; S277-P300 WeakPolarHBondContact OG-CB 3.31Å; S277-P300 VanDerWaalsContact OG-CG 3.24Å; S277-P300 WeakPolarHBondContact OG-CG 3.32Å; T295-P300 HydrophobicContact CG2-CB 4.37Å; P300-R302 PolarHBondContact O-N 2.65Å; P300-S303 PolarHBondContact O-N 2.78Å; P300-S303 VanDerWaalsContact O-O 3.1Å; P300-F305 HydrophobicContact CB-CE2 4.39Å; P300-F305 HydrophobicContact CB-CZ 4.29Å
301S93.1Very high96.9Very high23 Ų238 Ų816%0.1614%0.041CC..G310 helixtrans-65.5-17.9176.384.20000113.1K261 D299K261-S301 WeakPolarHBondContact CE-OG 3.16Å; D299-S301 PolarHBondContact O-N 3.11Å; D299-S301 WeakPolarHBondContact OD1-CB 3.19Å; D299-S301 PolarHBondContact OD1-N 3.08Å; D299-S301 PolarHBondContact OD1-OG 3.25Å
302R91.8Very high96.6Very high40 Ų4014.1 Ų14.115%0.1517%0.073CC..G310 helixtrans-121.418.4177-58.2-175.3-178.11684.5112.3D299 P300 H351 R355 I358 E359D299-R302 HydrophobicContact CB-CB 4.41Å; D299-R302 CarbonylContact O-C 3.59Å; D299-R302 WeakPolarHBondContact O-CA 3.27Å; D299-R302 PolarHBondContact O-N 2.76Å; D299-R302 VanDerWaalsContact OD2-CD 3.27Å; D299-R302 WeakPolarHBondContact OD2-CD 3.46Å; D299-R302 WeakPolarHBondContact OD2-CG 3.34Å; D299-R302 IonicContact OD2-CZ 2.66Å; D299-R302 IonicContact OD2-NE 2.83Å; P300-R302 PolarHBondContact O-N 2.65Å; R302-H351 PolarHBondContact O-NE2 2.95Å; R302-R355 HydrophobicContact CB-CG 4.41Å; R302-I358 HydrophobicContact CG-CG2 4.22Å; R302-E359 IonicContact CZ-OE1 3.47Å; R302-E359 IonicContact CZ-OE2 3.76Å; R302-E359 IonicContact NH1-OE1 2.65Å; R302-E359 PolarHBondContact NH1-OE1 3.2Å; R302-E359 IonicContact NH1-OE2 2.85Å; R302-E359 PolarHBondContact NH1-OE2 2.95Å; R302-E359 IonicContact NH2-OE1 3.69Å; R302-E359 PolarHBondContact NH2-OE1 3.31Å; R302-E359 IonicContact NH2-OE2 3.58Å
303S94.5Very high96.3Very high5 Ų522 Ų224%0.03512%0.115CC..  trans-127.3161.7178.3-59.30000110.6R259 T297 P298 D299 P300 H351R259-S303 PolarHBondContact NH2-O 2.87Å; T297-S303 VanDerWaalsContact OG1-CB 3.24Å; T297-S303 WeakPolarHBondContact OG1-CB 3.39Å; T297-S303 PolarHBondContact OG1-OG 2.99Å; P298-S303 PolarHBondContact O-OG 3.06Å; D299-S303 PolarHBondContact O-N 2.57Å; D299-S303 PolarHBondContact O-OG 3.47Å; P300-S303 PolarHBondContact O-N 2.78Å; P300-S303 VanDerWaalsContact O-O 3.1Å; S303-H351 PolarHBondContact OG-NE2 2.7Å
304I95.8Very high96.2Very high11 Ų1122.8 Ų22.86%0.05612%0.121CC..  trans-107152.1169.160.2169000110.5T295 K306 M372 E376 E409T295-I304 WeakPolarHBondContact CA-O 3.46Å; I304-K306 WeakPolarHBondContact O-CE 3.41Å; I304-M372 HydrophobicContact CG2-CB 3.72Å; I304-M372 WeakPolarHBondContact CG2-O 3.47Å; I304-E376 VanDerWaalsContact CA-OE2 3.31Å; I304-E376 WeakPolarHBondContact CA-OE2 3.46Å; I304-E376 HydrophobicContact CB-CB 4.23Å; I304-E376 HydrophobicContact CG2-CB 4.13Å; I304-E409 HydrophobicContact CD1-CB 4.16Å; I304-E409 HydrophobicContact CD1-CG 4.07Å; I304-E409 HydrophobicContact CG1-CG 4.3Å; I304-E409 WeakPolarHBondContact CG1-OE1 3.26Å
305F98.1Very high96.1Very high6 Ų626.6 Ų26.63%0.02614%0.137CC..PPolyproline II helixtrans-92116.2175.2-76.6-92.6000109.5M255 L258 V279 T295 P300 E376M255-F305 HydrophobicContact CB-CD2 4.1Å; M255-F305 HydrophobicContact CB-CE2 3.97Å; M255-F305 HydrophobicContact CE-CB 3.31Å; M255-F305 HydrophobicContact CE-CD1 4.14Å; M255-F305 HydrophobicContact CE-CD2 4.3Å; M255-F305 HydrophobicContact CE-CG 3.69Å; M255-F305 HydrophobicContact CG-CB 4.5Å; M255-F305 HydrophobicContact CG-CD1 4.29Å; M255-F305 HydrophobicContact CG-CD2 3.75Å; M255-F305 HydrophobicContact CG-CE1 4.46Å; M255-F305 HydrophobicContact CG-CE2 3.95Å; M255-F305 HydrophobicContact CG-CG 3.93Å; M255-F305 HydrophobicContact CG-CZ 4.3Å; M255-F305 HydrophobicContact SD-CB 3.82Å; M255-F305 HydrophobicContact SD-CD2 3.88Å; M255-F305 HydrophobicContact SD-CG 3.89Å; L258-F305 HydrophobicContact CB-CZ 4.34Å; L258-F305 HydrophobicContact CD1-CE1 4.29Å; L258-F305 HydrophobicContact CD1-CZ 4.17Å; V279-F305 HydrophobicContact CG2-CD1 4.17Å; V279-F305 HydrophobicContact CG2-CE1 3.78Å; V279-F305 HydrophobicContact CG2-CZ 4.37Å; T295-F305 HydrophobicContact CG2-CD1 3.92Å; T295-F305 HydrophobicContact CG2-CD2 4.18Å; T295-F305 HydrophobicContact CG2-CE1 3.74Å; T295-F305 HydrophobicContact CG2-CE2 4.02Å; T295-F305 HydrophobicContact CG2-CG 4.14Å; T295-F305 HydrophobicContact CG2-CZ 3.8Å; P300-F305 HydrophobicContact CB-CE2 4.39Å; P300-F305 HydrophobicContact CB-CZ 4.29Å; F305-E376 PolarHBondContact N-OE2 2.58Å
306K97.7Very high96.1Very high1 Ų131.4 Ų31.40%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-96.3123.9-177.8-74.3137.7-84.4-152.40110.3Y293 F294 T295 I304 F402 C405 V406 E409Y293-K306 VanDerWaalsContact CA-O 3.28Å; Y293-K306 WeakPolarHBondContact CA-O 3.32Å; F294-K306 PolarHBondContact N-O 2.75Å; F294-K306 WeakPolarHBondContact O-CE 3.44Å; F294-K306 PolarHBondContact O-N 2.78Å; T295-K306 WeakPolarHBondContact O-CE 3.23Å; T295-K306 PolarHBondContact O-NZ 2.79Å; I304-K306 WeakPolarHBondContact O-CE 3.41Å; K306-F402 HydrophobicContact CB-CD2 3.62Å; K306-F402 HydrophobicContact CB-CE2 3.53Å; K306-C405 HydrophobicContact CB-CB 4.06Å; K306-C405 HydrophobicContact CG-CB 3.6Å; K306-V406 HydrophobicContact CD-CG2 3.7Å; K306-V406 HydrophobicContact CG-CG2 4.46Å; K306-E409 WeakPolarHBondContact CD-OE2 3.38Å; K306-E409 WeakPolarHBondContact CE-OE2 3.12Å; K306-E409 IonicContact NZ-OE1 2.76Å; K306-E409 PolarHBondContact NZ-OE1 3.33Å; K306-E409 IonicContact NZ-OE2 3.72Å; K306-E409 PolarHBondContact NZ-OE2 3.12Å
307P98Very high96.1Very high4 Ų431.7 Ų31.73%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-73.4153.1-17827.4-31.5000113I291 H292 Y293 M383 L401 F402I291-P307 HydrophobicContact CG2-CB 4.28Å; H292-P307 CarbonylContact O-C 3.54Å; H292-P307 WeakPolarHBondContact O-CA 3.31Å; Y293-P307 HydrophobicContact CD1-CB 3.74Å; Y293-P307 HydrophobicContact CE1-CB 3.66Å; Y293-P307 HydrophobicContact CE1-CG 4.42Å; P307-M383 HydrophobicContact CB-CG 3.92Å; P307-M383 HydrophobicContact CB-SD 3.88Å; P307-M383 HydrophobicContact CG-CG 4.28Å; P307-M383 HydrophobicContact CG-SD 4.34Å; P307-L401 HydrophobicContact CB-CD2 3.75Å; P307-L401 HydrophobicContact CB-CG 4.3Å; P307-L401 HydrophobicContact CG-CD1 4.04Å; P307-L401 HydrophobicContact CG-CD2 3.74Å; P307-L401 HydrophobicContact CG-CG 3.81Å; P307-F402 WeakPolarHBondContact O-CA 3.16Å; P307-F402 WeakPolarHBondContact O-CB 3.21Å; P307-F402 PolarHBondContact O-N 2.48Å
308F98.2Very high96.1Very high7 Ų735.9 Ų35.93%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-147.7137.8178173.7-96.4000108.7Y40 M69 H292 F294 F310 V314 F402Y40-F308 HydrophobicContact CD2-CE2 4.28Å; Y40-F308 AromaticContact CD2-CZ 3.68Å; Y40-F308 HydrophobicContact CD2-CZ 3.68Å; Y40-F308 HydrophobicContact CE2-CZ 4.02Å; M69-F308 HydrophobicContact CB-CD1 3.87Å; M69-F308 HydrophobicContact CB-CE1 3.61Å; M69-F308 HydrophobicContact CB-CZ 4.17Å; M69-F308 HydrophobicContact CE-CB 4.32Å; M69-F308 HydrophobicContact CE-CD2 3.9Å; M69-F308 HydrophobicContact CE-CE2 4.42Å; M69-F308 HydrophobicContact CE-CG 4.01Å; M69-F308 HydrophobicContact CG-CD1 3.75Å; M69-F308 HydrophobicContact CG-CE1 3.92Å; M69-F308 HydrophobicContact CG-CG 4.06Å; M69-F308 HydrophobicContact CG-CZ 4.38Å; M69-F308 HydrophobicContact SD-CD2 4.48Å; H292-F308 HydrophobicContact CB-CD1 4.39Å; H292-F308 PolarHBondContact N-O 2.91Å; H292-F308 WeakPolarHBondContact O-CA 3.46Å; H292-F308 WeakPolarHBondContact O-CB 3.3Å; H292-F308 PolarHBondContact O-N 2.79Å; F294-F308 HydrophobicContact CD2-CB 4.47Å; F294-F308 HydrophobicContact CE2-CB 4.31Å; F308-F310 HydrophobicContact CD1-CD2 4.49Å; F308-F310 HydrophobicContact CD1-CE2 4.39Å; F308-F310 AromaticContact CE1-CD1 3.75Å; F308-F310 HydrophobicContact CE1-CD1 3.75Å; F308-F310 AromaticContact CE1-CD2 3.79Å; F308-F310 HydrophobicContact CE1-CD2 3.79Å; F308-F310 AromaticContact CE1-CE1 3.71Å; F308-F310 HydrophobicContact CE1-CE1 3.71Å; F308-F310 AromaticContact CE1-CE2 3.75Å; F308-F310 HydrophobicContact CE1-CE2 3.75Å; F308-F310 AromaticContact CE1-CG 3.78Å; F308-F310 HydrophobicContact CE1-CG 3.78Å; F308-F310 AromaticContact CE1-CZ 3.71Å; F308-F310 HydrophobicContact CE1-CZ 3.71Å; F308-F310 AromaticContact CZ-CD1 3.98Å; F308-F310 HydrophobicContact CZ-CD1 3.98Å; F308-F310 HydrophobicContact CZ-CE1 4.09Å; F308-F310 HydrophobicContact CZ-CG 4.3Å; F308-V314 HydrophobicContact CE2-CG1 3.7Å; F308-V314 HydrophobicContact CE2-CG2 4.02Å; F308-V314 HydrophobicContact CZ-CG1 4.37Å; F308-V314 HydrophobicContact CZ-CG2 4.21Å; F308-F402 HydrophobicContact CB-CB 4.32Å; F308-F402 HydrophobicContact CB-CD2 4.4Å; F308-F402 HydrophobicContact CD2-CB 4.16Å
309I98.1Very high96.2Very high3 Ų337.6 Ų37.62%0.01520%0.198CC..  trans-130.9134.6175-57.4178.5000107.4P289 I291 V311 M383 I386 L393 V398P289-I309 HydrophobicContact CB-CG2 3.87Å; I291-I309 HydrophobicContact CB-CG1 4.49Å; I291-I309 HydrophobicContact CD1-CD1 4.29Å; I291-I309 HydrophobicContact CG1-CD1 4.06Å; I291-I309 HydrophobicContact CG1-CG1 4.14Å; I291-I309 HydrophobicContact CG2-CG1 4.21Å; I309-V311 HydrophobicContact CG2-CG1 4.14Å; I309-V311 PolarHBondContact O-N 2.88Å; I309-M383 HydrophobicContact CD1-SD 4.08Å; I309-I386 HydrophobicContact CD1-CD1 4.19Å; I309-I386 HydrophobicContact CD1-CG2 4.44Å; I309-L393 HydrophobicContact CD1-CD2 4.43Å; I309-L393 HydrophobicContact CG2-CD2 3.85Å; I309-V398 HydrophobicContact CD1-CG1 4.35Å
310F98Very high96.3Very high36 Ų3637.7 Ų37.716%0.15820%0.199CC..  trans-69.1114.9172-71.1-83.6000109.7Y40 A67 M69 A83 N84 E85 H292 F308Y40-F310 HydrophobicContact CD2-CE1 4.24Å; Y40-F310 AromaticContact CE2-CD1 3.99Å; Y40-F310 HydrophobicContact CE2-CD1 3.99Å; Y40-F310 AromaticContact CE2-CE1 3.92Å; Y40-F310 HydrophobicContact CE2-CE1 3.92Å; A67-F310 HydrophobicContact CB-CD1 4.32Å; A67-F310 HydrophobicContact CB-CE1 4.29Å; M69-F310 HydrophobicContact CB-CE1 4.26Å; M69-F310 HydrophobicContact CB-CZ 3.76Å; A83-F310 HydrophobicContact CB-CE2 4.23Å; A83-F310 WeakPolarHBondContact O-CZ 3.41Å; N84-F310 VanDerWaalsContact C-CE2 3.4Å; N84-F310 VanDerWaalsContact O-CE2 3.25Å; N84-F310 WeakPolarHBondContact O-CE2 3.39Å; E85-F310 HydrophobicContact CB-CB 4.3Å; E85-F310 HydrophobicContact CB-CD1 4Å; E85-F310 HydrophobicContact CB-CG 4.12Å; H292-F310 AromaticContact CD2-CD2 3.8Å; H292-F310 AromaticContact CD2-CE2 3.65Å; H292-F310 AromaticContact NE2-CD2 3.73Å; H292-F310 AromaticContact NE2-CE2 3.61Å; F308-F310 HydrophobicContact CD1-CD2 4.49Å; F308-F310 HydrophobicContact CD1-CE2 4.39Å; F308-F310 AromaticContact CE1-CD1 3.75Å; F308-F310 HydrophobicContact CE1-CD1 3.75Å; F308-F310 AromaticContact CE1-CD2 3.79Å; F308-F310 HydrophobicContact CE1-CD2 3.79Å; F308-F310 AromaticContact CE1-CE1 3.71Å; F308-F310 HydrophobicContact CE1-CE1 3.71Å; F308-F310 AromaticContact CE1-CE2 3.75Å; F308-F310 HydrophobicContact CE1-CE2 3.75Å; F308-F310 AromaticContact CE1-CG 3.78Å; F308-F310 HydrophobicContact CE1-CG 3.78Å; F308-F310 AromaticContact CE1-CZ 3.71Å; F308-F310 HydrophobicContact CE1-CZ 3.71Å; F308-F310 AromaticContact CZ-CD1 3.98Å; F308-F310 HydrophobicContact CZ-CD1 3.98Å; F308-F310 HydrophobicContact CZ-CE1 4.09Å; F308-F310 HydrophobicContact CZ-CG 4.3Å
311V96.5Very high96.4Very high23 Ų2340.5 Ų40.514%0.13921%0.212CC..  trans-141.4170.3173.2-65.70000109.3I309 V314 L393 P395 V398I309-V311 HydrophobicContact CG2-CG1 4.14Å; I309-V311 PolarHBondContact O-N 2.88Å; V311-V314 HydrophobicContact CG2-CG2 3.97Å; V311-V314 WeakPolarHBondContact O-CG2 3.41Å; V311-L393 HydrophobicContact CG1-CD2 3.95Å; V311-P395 HydrophobicContact CB-CB 3.99Å; V311-P395 HydrophobicContact CB-CG 4.49Å; V311-P395 HydrophobicContact CG1-CB 4.48Å; V311-P395 HydrophobicContact CG2-CB 4.37Å; V311-V398 HydrophobicContact CG1-CG2 3.66Å; V311-V398 HydrophobicContact CG2-CG2 4.09Å
312D92.8Very high96.7Very high128 Ų12840.1 Ų40.168%0.68421%0.209SC*.THydrogen-bonded Turntrans-65.4151.1170.8-66.1-29.1000110.9V314D312-V314 VanDerWaalsContact C-N 3.3Å; D312-V314 PolarHBondContact O-N 3.04Å
313D92.4Very high96.9Very high165 Ų16541.1 Ų41.188%0.88222%0.221SC*.THydrogen-bonded Turntrans56.734.3174.7-61.6-42.9000115.6K315D313-K315 PolarHBondContact O-N 2.94Å
314V96Very high96.9Very high21 Ų2146.7 Ų46.713%0.12726%0.258CS..PPolyproline II helixtrans-49.9129.1172.41630000111.6Y40 F308 V311 D312 L316Y40-V314 HydrophobicContact CD1-CG1 4.13Å; Y40-V314 HydrophobicContact CD2-CG1 4.41Å; Y40-V314 HydrophobicContact CE1-CB 4.27Å; Y40-V314 HydrophobicContact CE1-CG1 4.33Å; Y40-V314 HydrophobicContact CG-CG1 4.16Å; F308-V314 HydrophobicContact CE2-CG1 3.7Å; F308-V314 HydrophobicContact CE2-CG2 4.02Å; F308-V314 HydrophobicContact CZ-CG1 4.37Å; F308-V314 HydrophobicContact CZ-CG2 4.21Å; V311-V314 HydrophobicContact CG2-CG2 3.97Å; V311-V314 WeakPolarHBondContact O-CG2 3.41Å; D312-V314 VanDerWaalsContact C-N 3.3Å; D312-V314 PolarHBondContact O-N 3.04Å; V314-L316 PolarHBondContact O-N 2.91Å
315K97.4Very high96.9Very high83 Ų8349 Ų4936%0.36127%0.268SS..PPolyproline II helixtrans-76.6116.3176.9-170.6176-177.5-177.70110.9D313 V317 G399 D400 Y403D313-K315 PolarHBondContact O-N 2.94Å; K315-V317 WeakPolarHBondContact O-CG2 3.46Å; K315-G399 WeakPolarHBondContact CB-O 3.37Å; K315-G399 PolarHBondContact N-O 2.96Å; K315-D400 HydrophobicContact CB-CB 4.03Å; K315-D400 HydrophobicContact CD-CB 3.5Å; K315-D400 VanDerWaalsContact CD-CB 3.5Å; K315-D400 HydrophobicContact CG-CB 4.47Å; K315-Y403 HydrophobicContact CD-CD1 3.86Å; K315-Y403 HydrophobicContact CD-CD2 3.91Å; K315-Y403 HydrophobicContact CD-CE1 4.46Å; K315-Y403 HydrophobicContact CD-CE2 4.48Å; K315-Y403 HydrophobicContact CD-CG 3.59Å; K315-Y403 VanDerWaalsContact CE-CD1 3.48Å; K315-Y403 HydrophobicContact CG-CD2 4.07Å; K315-Y403 HydrophobicContact CG-CG 4.11Å
316L97.1Very high96.7Very high101 Ų10150.3 Ų50.353%0.52928%0.283SS..PPolyproline II helixtrans-62.5143.9175.9-58.8-177.8000112Y40 V314 P318Y40-L316 HydrophobicContact CD1-CD2 3.71Å; V314-L316 PolarHBondContact O-N 2.91Å; L316-P318 VanDerWaalsContact O-CD 3.24Å; L316-P318 WeakPolarHBondContact O-CD 3.03Å
317V97.8Very high96.5Very high8 Ų856.9 Ų56.95%0.04832%0.319CS..  trans-118.279.6-176.4-166.90000110.7K315 K319 T320 F402 Y403 V406K315-V317 WeakPolarHBondContact O-CG2 3.46Å; V317-K319 HydrophobicContact CG1-CB 4.33Å; V317-K319 PolarHBondContact O-N 2.69Å; V317-T320 HydrophobicContact CG1-CG2 3.99Å; V317-T320 PolarHBondContact O-N 3.06Å; V317-T320 VanDerWaalsContact O-N 3.13Å; V317-T320 PolarHBondContact O-OG1 2.95Å; V317-F402 HydrophobicContact CB-CD1 4.12Å; V317-F402 HydrophobicContact CB-CE1 4.24Å; V317-F402 HydrophobicContact CG1-CE1 4.45Å; V317-F402 HydrophobicContact CG2-CD1 3.59Å; V317-F402 HydrophobicContact CG2-CE1 4.21Å; V317-Y403 HydrophobicContact CG1-CD2 4.46Å; V317-Y403 HydrophobicContact CG2-CD2 4.17Å; V317-Y403 HydrophobicContact CG2-CG 4.42Å; V317-V406 HydrophobicContact CG1-CB 4.03Å; V317-V406 HydrophobicContact CG1-CG1 3.88Å; V317-V406 HydrophobicContact CG1-CG2 4.16Å
318P97.4Very high96.3Very high88 Ų8862.1 Ų62.157%0.57135%0.346SS*.G310 helixtrans-61.6-17.3179.524.6-34.4000113.3L316 T320 Q321L316-P318 VanDerWaalsContact O-CD 3.24Å; L316-P318 WeakPolarHBondContact O-CD 3.03Å; P318-T320 PolarHBondContact O-N 2.74Å; P318-Q321 PolarHBondContact O-N 2.88Å; P318-Q321 VanDerWaalsContact O-N 3.16Å
319K98.2Very high96.3Very high37 Ų3762.6 Ų62.616%0.16135%0.35CS..G310 helixtrans-68.6-17177.8-62.2-179.7177.4157.80113.6V317 H345 E346 L347 V406 D407 I410V317-K319 HydrophobicContact CG1-CB 4.33Å; V317-K319 PolarHBondContact O-N 2.69Å; K319-H345 PolarHBondContact O-ND1 3.05Å; K319-E346 HydrophobicContact CB-CB 4.31Å; K319-E346 HydrophobicContact CG-CB 4.47Å; K319-E346 PolarHBondContact O-N 2.92Å; K319-L347 WeakPolarHBondContact O-CB 3.17Å; K319-L347 PolarHBondContact O-N 3.36Å; K319-V406 HydrophobicContact CB-CG1 3.96Å; K319-D407 IonicContact NZ-OD1 3.98Å; K319-D407 PolarHBondContact NZ-OD1 2.95Å; K319-I410 HydrophobicContact CB-CD1 3.98Å; K319-I410 HydrophobicContact CD-CD1 3.74Å; K319-I410 HydrophobicContact CG-CD1 4.34Å
320T98.3Very high96.2Very high1 Ų162.8 Ų62.81%0.00635%0.351CS..G310 helixtrans-101.99.2174590000113.3E37 V38 V317 P318 L347 F402 V406E37-T320 VanDerWaalsContact CA-O 3.31Å; E37-T320 WeakPolarHBondContact CA-O 3.46Å; E37-T320 WeakPolarHBondContact CB-O 3.2Å; V38-T320 PolarHBondContact N-O 2.95Å; V38-T320 VanDerWaalsContact N-O 3.13Å; V38-T320 PolarHBondContact O-OG1 3.08Å; V317-T320 HydrophobicContact CG1-CG2 3.99Å; V317-T320 PolarHBondContact O-N 3.06Å; V317-T320 VanDerWaalsContact O-N 3.13Å; V317-T320 PolarHBondContact O-OG1 2.95Å; P318-T320 PolarHBondContact O-N 2.74Å; T320-L347 HydrophobicContact CG2-CD2 3.81Å; T320-F402 HydrophobicContact CG2-CE1 3.96Å; T320-F402 HydrophobicContact CG2-CZ 4.14Å; T320-V406 HydrophobicContact CG2-CG1 3.99Å; T320-V406 HydrophobicContact CG2-CG2 3.73Å
321Q98.3Very high96.1Very high60 Ų6061.3 Ų61.328%0.2835%0.345SS..SBendtrans-117.4134.7-174.9-57.4-175.718.400111.2V39 P318 H345V39-Q321 HydrophobicContact CG2-CG 4.25Å; P318-Q321 PolarHBondContact O-N 2.88Å; P318-Q321 VanDerWaalsContact O-N 3.16Å; Q321-H345 VanDerWaalsContact C-CB 3.44Å; Q321-H345 WeakPolarHBondContact O-CB 3.3Å
322S97.7Very high96.1Very high15 Ų1564.6 Ų64.611%0.10536%0.358CS..PPolyproline II helixtrans-59.5150.7174.4173.20000110.7E37 C324 R343E37-S322 VanDerWaalsContact OE2-CB 3.3Å; E37-S322 WeakPolarHBondContact OE2-CB 3.39Å; E37-S322 PolarHBondContact OE2-N 2.94Å; S322-C324 PolarHBondContact O-N 2.92Å; S322-R343 WeakPolarHBondContact CB-O 3.47Å; S322-R343 WeakPolarHBondContact OG-CA 3.28Å; S322-R343 PolarHBondContact OG-O 2.92Å
323P97.1Very high96.2Very high61 Ų6162.2 Ų62.240%0.39634%0.341SS..PPolyproline II helixtrans-50.6138.6164.6-24.334.2000111.1F325P323-F325 HydrophobicContact CB-CE1 4.35Å; P323-F325 HydrophobicContact CB-CE2 4.33Å; P323-F325 HydrophobicContact CB-CZ 3.9Å; P323-F325 HydrophobicContact CG-CZ 4.49Å; P323-F325 VanDerWaalsContact O-CD2 3.3Å; P323-F325 WeakPolarHBondContact O-CD2 3.49Å; P323-F325 WeakPolarHBondContact O-CE2 2.95Å
324C94.4Very high96.2Very high121 Ų12161.9 Ų61.982%0.81834%0.335SS*.PPolyproline II helixtrans-84.5127.7175.3-177.20000109.9S322S322-C324 PolarHBondContact O-N 2.92Å
325F95.2Very high96.1Very high59 Ų5965.2 Ų65.226%0.25936%0.357SS..  trans-103-5.3178.6-55.5-78.5000112.9P323 D328 D329 P341 R343P323-F325 HydrophobicContact CB-CE1 4.35Å; P323-F325 HydrophobicContact CB-CE2 4.33Å; P323-F325 HydrophobicContact CB-CZ 3.9Å; P323-F325 HydrophobicContact CG-CZ 4.49Å; P323-F325 VanDerWaalsContact O-CD2 3.3Å; P323-F325 WeakPolarHBondContact O-CD2 3.49Å; P323-F325 WeakPolarHBondContact O-CE2 2.95Å; F325-D328 WeakPolarHBondContact O-CA 3.43Å; F325-D328 WeakPolarHBondContact O-CB 3.41Å; F325-D328 PolarHBondContact O-N 3.17Å; F325-D329 HydrophobicContact CB-CB 3.83Å; F325-D329 PolarHBondContact O-N 3.13Å; F325-P341 HydrophobicContact CD1-CB 4.17Å; F325-P341 HydrophobicContact CD2-CG 4.22Å; F325-P341 HydrophobicContact CE1-CB 3.64Å; F325-P341 HydrophobicContact CE1-CG 4.32Å; F325-P341 HydrophobicContact CE2-CB 4.06Å; F325-P341 HydrophobicContact CE2-CG 3.93Å; F325-P341 HydrophobicContact CZ-CB 3.58Å; F325-P341 HydrophobicContact CZ-CG 4Å; F325-R343 HydrophobicContact CE2-CG 4.19Å
326G94.2Very high96Very high34 Ų3462.7 Ų62.735%0.35135%0.345SS..G310 helixtrans56.2-139.7179.300000112.6D328 D329G326-D328 PolarHBondContact O-N 3.47Å; G326-D329 WeakPolarHBondContact O-CB 3.37Å; G326-D329 PolarHBondContact O-N 2.85Å
327D93.2Very high95.9Very high139 Ų13958.6 Ų58.674%0.74332%0.323SS*.G310 helixtrans-67.9-13.1176-59-27.8000112.9D329D327-D329 VanDerWaalsContact C-N 3.29Å
328D95Very high95.8Very high114 Ų11464.1 Ų64.161%0.6135%0.348SS*.G310 helixtrans-82.4-6.1176.1-83.2-47.8000113.7F325 G326 P330 K333F325-D328 WeakPolarHBondContact O-CA 3.43Å; F325-D328 WeakPolarHBondContact O-CB 3.41Å; F325-D328 PolarHBondContact O-N 3.17Å; G326-D328 PolarHBondContact O-N 3.47Å; D328-P330 WeakPolarHBondContact O-CD 3.36Å; D328-K333 VanDerWaalsContact CA-NZ 3.29Å; D328-K333 WeakPolarHBondContact O-CE 3.46Å; D328-K333 PolarHBondContact O-NZ 3.05Å; D328-K333 IonicContact OD1-NZ 3.11Å; D328-K333 PolarHBondContact OD1-NZ 3.02Å
329D97Very high95.7Very high18 Ų1866.2 Ų66.210%0.09635%0.35CS..  trans-59.3123.8177.2-161.8-47.8000110.9F325 G326 D327 A331 K332 K333 R343F325-D329 HydrophobicContact CB-CB 3.83Å; F325-D329 PolarHBondContact O-N 3.13Å; G326-D329 WeakPolarHBondContact O-CB 3.37Å; G326-D329 PolarHBondContact O-N 2.85Å; D327-D329 VanDerWaalsContact C-N 3.29Å; D329-A331 PolarHBondContact O-N 2.89Å; D329-A331 VanDerWaalsContact O-N 3.1Å; D329-A331 VanDerWaalsContact OD1-CB 3.25Å; D329-A331 WeakPolarHBondContact OD1-CB 3.38Å; D329-A331 PolarHBondContact OD1-N 3.48Å; D329-K332 HydrophobicContact CB-CG 4.29Å; D329-K332 WeakPolarHBondContact O-CB 3.31Å; D329-K332 PolarHBondContact O-N 2.9Å; D329-K333 PolarHBondContact O-N 3.26Å; D329-R343 IonicContact OD1-CZ 2.73Å; D329-R343 IonicContact OD1-NH1 2.84Å; D329-R343 IonicContact OD1-NH2 3.64Å; D329-R343 PolarHBondContact OD1-NH2 2.76Å; D329-R343 IonicContact OD2-CZ 3.58Å; D329-R343 IonicContact OD2-NH1 2.84Å; D329-R343 PolarHBondContact OD2-NH1 2.66Å; D329-R343 IonicContact OD2-NH2 2.78Å; D329-R343 PolarHBondContact OD2-NH2 3.17Å
330P96.7Very high95.4Very high7 Ų769.1 Ų69.15%0.04536%0.363CS..THydrogen-bonded Turntrans-59.8-19.5176.8-28.239.8000114.5D328 K332 R336 F337 E339 P341D328-P330 WeakPolarHBondContact O-CD 3.36Å; P330-K332 PolarHBondContact O-N 3.43Å; P330-R336 WeakPolarHBondContact O-CA 3.22Å; P330-F337 PolarHBondContact O-N 3.05Å; P330-E339 HydrophobicContact CB-CB 4.37Å; P330-E339 VanDerWaalsContact CB-O 3.22Å; P330-E339 WeakPolarHBondContact CB-O 3.5Å; P330-E339 HydrophobicContact CG-CB 3.81Å; P330-E339 WeakPolarHBondContact CG-O 3.45Å; P330-P341 HydrophobicContact CG-CG 4.4Å
331A95.8Very high95.3Very high5 Ų570.4 Ų70.44%0.04137%0.371CS..THydrogen-bonded Turntrans-67.1-23.7170.800000112.4W75 D329 R336 F337W75-A331 HydrophobicContact CE3-CB 4.15Å; W75-A331 WeakPolarHBondContact O-CB 3.23Å; D329-A331 PolarHBondContact O-N 2.89Å; D329-A331 VanDerWaalsContact O-N 3.1Å; D329-A331 VanDerWaalsContact OD1-CB 3.25Å; D329-A331 WeakPolarHBondContact OD1-CB 3.38Å; D329-A331 PolarHBondContact OD1-N 3.48Å; A331-R336 WeakPolarHBondContact O-CD 3.19Å; A331-R336 PolarHBondContact O-NH1 3.3Å; A331-F337 HydrophobicContact CB-CD1 4.4Å; A331-F337 HydrophobicContact CB-CE1 3.68Å
332K95.5Very high95.2Very high91 Ų9171 Ų7140%0.39638%0.376SS..THydrogen-bonded Turntrans-98.5-14.8-179.4-64.5-171.7174.5-134.90114.4E53 D329 P330E53-K332 WeakPolarHBondContact OE1-CE 3.26Å; E53-K332 IonicContact OE1-NZ 3.15Å; E53-K332 PolarHBondContact OE1-NZ 3.39Å; E53-K332 IonicContact OE2-NZ 3.44Å; D329-K332 HydrophobicContact CB-CG 4.29Å; D329-K332 WeakPolarHBondContact O-CB 3.31Å; D329-K332 PolarHBondContact O-N 2.9Å; P330-K332 PolarHBondContact O-N 3.43Å
333K94.9Very high95.2Very high79 Ų7970.7 Ų70.734%0.34337%0.373SS..SBendtrans-87140.5-178.8-70.8172.1171.5163.20110.3D328 D329 P335 R336D328-K333 VanDerWaalsContact CA-NZ 3.29Å; D328-K333 WeakPolarHBondContact O-CE 3.46Å; D328-K333 PolarHBondContact O-NZ 3.05Å; D328-K333 IonicContact OD1-NZ 3.11Å; D328-K333 PolarHBondContact OD1-NZ 3.02Å; D329-K333 PolarHBondContact O-N 3.26Å; K333-P335 CarbonylContact O-C 3.52Å; K333-P335 VanDerWaalsContact O-O 3.07Å; K333-R336 WeakPolarHBondContact O-CA 3.4Å; K333-R336 WeakPolarHBondContact O-CG 3.28Å; K333-R336 PolarHBondContact O-N 2.95Å; K333-R336 VanDerWaalsContact O-N 3.08Å
334E93.3Very high95.3Very high158 Ų15871.7 Ų71.774%0.73837%0.369SS*.SBendtrans-105.9129.4172.6-72.2-179-165.200111.1R336E334-R336 IonicContact OE1-NH2 2.71Å
335P93.4Very high95.4Very high91 Ų9166.1 Ų66.159%0.59133%0.331SS*.SBendcis-66.5147.2-628.8-34000112.3K333 Q338K333-P335 CarbonylContact O-C 3.52Å; K333-P335 VanDerWaalsContact O-O 3.07Å; P335-Q338 HydrophobicContact CB-CG 4.43Å; P335-Q338 HydrophobicContact CG-CG 3.87Å; P335-Q338 VanDerWaalsContact O-CG 3.29Å; P335-Q338 WeakPolarHBondContact O-CG 3.14Å
336R95.2Very high95.6Very high30 Ų3067.1 Ų67.111%0.11334%0.336CS..THydrogen-bonded Turntrans-73.1157.1-175.2-60.6-177.9-162.2-83.60.5112.8E105 P330 A331 K333 E334 Q338E105-R336 VanDerWaalsContact CD-NE 3.31Å; E105-R336 WeakPolarHBondContact OE1-CD 3.39Å; E105-R336 IonicContact OE1-CZ 3.21Å; E105-R336 IonicContact OE1-NE 3.67Å; E105-R336 PolarHBondContact OE1-NE 2.7Å; E105-R336 IonicContact OE1-NH2 2.74Å; E105-R336 IonicContact OE2-CZ 3.65Å; E105-R336 IonicContact OE2-NE 2.83Å; E105-R336 PolarHBondContact OE2-NE 2.86Å; E105-R336 IonicContact OE2-NH2 3.42Å; E105-R336 PolarHBondContact OE2-NH2 2.83Å; P330-R336 WeakPolarHBondContact O-CA 3.22Å; A331-R336 WeakPolarHBondContact O-CD 3.19Å; A331-R336 PolarHBondContact O-NH1 3.3Å; K333-R336 WeakPolarHBondContact O-CA 3.4Å; K333-R336 WeakPolarHBondContact O-CG 3.28Å; K333-R336 PolarHBondContact O-N 2.95Å; K333-R336 VanDerWaalsContact O-N 3.08Å; E334-R336 IonicContact OE1-NH2 2.71Å; R336-Q338 PolarHBondContact O-N 2.9Å; R336-Q338 VanDerWaalsContact O-N 3.12Å; R336-Q338 PolarHBondContact O-NE2 2.61Å
337F95.9Very high95.8Very high15 Ų1565.5 Ų65.57%0.06632%0.32CS..THydrogen-bonded Turntrans61.720.7168.1-45-54.9000115.9Y56 W75 N142 E145 A147 P330 A331 E339Y56-F337 HydrophobicContact CE1-CZ 4.21Å; W75-F337 HydrophobicContact CD2-CE1 4.26Å; W75-F337 AromaticContact CE3-CE1 3.66Å; W75-F337 HydrophobicContact CE3-CE1 3.66Å; W75-F337 AromaticContact CE3-CZ 3.73Å; W75-F337 HydrophobicContact CE3-CZ 3.73Å; W75-F337 HydrophobicContact CH2-CZ 4.07Å; W75-F337 AromaticContact CZ3-CE1 3.94Å; W75-F337 HydrophobicContact CZ3-CE1 3.94Å; W75-F337 AromaticContact CZ3-CZ 3.49Å; W75-F337 HydrophobicContact CZ3-CZ 3.49Å; W75-F337 VanDerWaalsContact CZ3-CZ 3.49Å; N142-F337 HydrophobicContact CB-CE2 4.2Å; E145-F337 HydrophobicContact CB-CD1 4.29Å; E145-F337 HydrophobicContact CB-CE1 4.39Å; E145-F337 HydrophobicContact CG-CD1 3.54Å; E145-F337 HydrophobicContact CG-CE1 3.98Å; E145-F337 HydrophobicContact CG-CG 4.22Å; A147-F337 HydrophobicContact CB-CB 4.05Å; A147-F337 WeakPolarHBondContact CB-O 3.27Å; P330-F337 PolarHBondContact O-N 3.05Å; A331-F337 HydrophobicContact CB-CD1 4.4Å; A331-F337 HydrophobicContact CB-CE1 3.68Å; F337-E339 PolarHBondContact O-N 3.49Å
338Q95.6Very high96Very high123 Ų12359.8 Ų59.858%0.57529%0.287SS*.SBendtrans-66.4-17.9178.3-56.9-57.3-66.800113.1P335 R336P335-Q338 HydrophobicContact CB-CG 4.43Å; P335-Q338 HydrophobicContact CG-CG 3.87Å; P335-Q338 VanDerWaalsContact O-CG 3.29Å; P335-Q338 WeakPolarHBondContact O-CG 3.14Å; R336-Q338 PolarHBondContact O-N 2.9Å; R336-Q338 VanDerWaalsContact O-N 3.12Å; R336-Q338 PolarHBondContact O-NE2 2.61Å
339E94.4Very high96.1Very high133 Ų13359 Ų5962%0.62128%0.279SS*.SBendtrans-129.3151173-62.8175.5-174.800108.1P330 F337P330-E339 HydrophobicContact CB-CB 4.37Å; P330-E339 VanDerWaalsContact CB-O 3.22Å; P330-E339 WeakPolarHBondContact CB-O 3.5Å; P330-E339 HydrophobicContact CG-CB 3.81Å; P330-E339 WeakPolarHBondContact CG-O 3.45Å; F337-E339 PolarHBondContact O-N 3.49Å
340K92.6Very high96Very high97 Ų9758.6 Ų58.642%0.42228%0.278SS..  trans-121.696.8176.5-166.8164.3-169.6163.20109.5D33D33-K340 IonicContact OD1-NZ 3.27Å; D33-K340 PolarHBondContact OD1-NZ 3.13Å; D33-K340 VanDerWaalsContact OD1-NZ 3.11Å; D33-K340 WeakPolarHBondContact OD2-CE 3.03Å; D33-K340 IonicContact OD2-NZ 2.83Å; D33-K340 PolarHBondContact OD2-NZ 3.11Å
341P95.8Very high96Very high29 Ų2958.2 Ų58.219%0.18828%0.276CS..  trans-72.9159.3-176.831.8-33.5000110.7F325 P330 R343F325-P341 HydrophobicContact CD1-CB 4.17Å; F325-P341 HydrophobicContact CD2-CG 4.22Å; F325-P341 HydrophobicContact CE1-CB 3.64Å; F325-P341 HydrophobicContact CE1-CG 4.32Å; F325-P341 HydrophobicContact CE2-CB 4.06Å; F325-P341 HydrophobicContact CE2-CG 3.93Å; F325-P341 HydrophobicContact CZ-CB 3.58Å; F325-P341 HydrophobicContact CZ-CG 4Å; P330-P341 HydrophobicContact CG-CG 4.4Å; P341-R343 HydrophobicContact CG-CG 4.3Å; P341-R343 PolarHBondContact O-N 2.88Å
342D97.2Very high95.9Very high71 Ų7162.2 Ų62.238%0.3829%0.294SS..  trans-74.295.7174.5-176.56.9000110.6R344 K349D342-R344 VanDerWaalsContact C-N 3.26Å; D342-R344 PolarHBondContact O-N 2.82Å; D342-R344 WeakPolarHBondContact OD1-CB 3.05Å; D342-R344 VanDerWaalsContact OD1-CG 3.25Å; D342-R344 WeakPolarHBondContact OD1-CG 3.35Å; D342-R344 IonicContact OD1-CZ 2.75Å; D342-R344 PolarHBondContact OD1-N 3.29Å; D342-R344 VanDerWaalsContact OD1-N 3.07Å; D342-R344 IonicContact OD1-NE 3.25Å; D342-R344 PolarHBondContact OD1-NE 2.63Å; D342-R344 IonicContact OD1-NH2 2.65Å; D342-R344 IonicContact OD2-CZ 3.26Å; D342-R344 IonicContact OD2-NE 3.93Å; D342-R344 PolarHBondContact OD2-NE 2.71Å; D342-R344 IonicContact OD2-NH2 2.78Å; D342-R344 PolarHBondContact OD2-NH2 3.26Å; D342-K349 IonicContact OD2-NZ 3.95Å
343R97.5Very high95.6Very high9 Ų963.5 Ų63.53%0.03430%0.296CS..  trans-80.10.3179.2-60.2-170.8-178-86.10.2114.2V35 A74 E145 S322 F325 D329 P341 H345V35-R343 HydrophobicContact CB-CB 4.16Å; V35-R343 HydrophobicContact CG2-CB 4.25Å; A74-R343 HydrophobicContact CB-CB 3.87Å; A74-R343 HydrophobicContact CB-CG 4.34Å; A74-R343 PolarHBondContact O-NH1 3.29Å; E145-R343 IonicContact OE1-CZ 3.56Å; E145-R343 IonicContact OE1-NE 3.78Å; E145-R343 PolarHBondContact OE1-NE 3.32Å; E145-R343 IonicContact OE1-NH2 3.59Å; E145-R343 PolarHBondContact OE1-NH2 3.05Å; E145-R343 IonicContact OE2-NE 2.61Å; E145-R343 PolarHBondContact OE2-NE 2.89Å; S322-R343 WeakPolarHBondContact CB-O 3.47Å; S322-R343 WeakPolarHBondContact OG-CA 3.28Å; S322-R343 PolarHBondContact OG-O 2.92Å; F325-R343 HydrophobicContact CE2-CG 4.19Å; D329-R343 IonicContact OD1-CZ 2.73Å; D329-R343 IonicContact OD1-NH1 2.84Å; D329-R343 IonicContact OD1-NH2 3.64Å; D329-R343 PolarHBondContact OD1-NH2 2.76Å; D329-R343 IonicContact OD2-CZ 3.58Å; D329-R343 IonicContact OD2-NH1 2.84Å; D329-R343 PolarHBondContact OD2-NH1 2.66Å; D329-R343 IonicContact OD2-NH2 2.78Å; D329-R343 PolarHBondContact OD2-NH2 3.17Å; P341-R343 HydrophobicContact CG-CG 4.3Å; P341-R343 PolarHBondContact O-N 2.88Å; R343-H345 PolarHBondContact O-N 2.96Å
344R97.9Very high95.4Very high82 Ų8259.7 Ų59.731%0.30928%0.279SS..  trans-71116.9-174.3-61.8175.3-64.2172.4-0.1111.1V35 D342 Y348 K349 E352V35-R344 HydrophobicContact CG2-CB 4.34Å; V35-R344 HydrophobicContact CG2-CG 3.58Å; D342-R344 VanDerWaalsContact C-N 3.26Å; D342-R344 PolarHBondContact O-N 2.82Å; D342-R344 WeakPolarHBondContact OD1-CB 3.05Å; D342-R344 VanDerWaalsContact OD1-CG 3.25Å; D342-R344 WeakPolarHBondContact OD1-CG 3.35Å; D342-R344 IonicContact OD1-CZ 2.75Å; D342-R344 PolarHBondContact OD1-N 3.29Å; D342-R344 VanDerWaalsContact OD1-N 3.07Å; D342-R344 IonicContact OD1-NE 3.25Å; D342-R344 PolarHBondContact OD1-NE 2.63Å; D342-R344 IonicContact OD1-NH2 2.65Å; D342-R344 IonicContact OD2-CZ 3.26Å; D342-R344 IonicContact OD2-NE 3.93Å; D342-R344 PolarHBondContact OD2-NE 2.71Å; D342-R344 IonicContact OD2-NH2 2.78Å; D342-R344 PolarHBondContact OD2-NH2 3.26Å; R344-Y348 HydrophobicContact CB-CD1 3.72Å; R344-Y348 HydrophobicContact CB-CE1 4.33Å; R344-Y348 HydrophobicContact CB-CG 4.28Å; R344-Y348 HydrophobicContact CG-CD1 3.45Å; R344-Y348 VanDerWaalsContact CG-CD1 3.45Å; R344-Y348 HydrophobicContact CG-CE1 3.55Å; R344-Y348 HydrophobicContact CG-CG 4.26Å; R344-K349 HydrophobicContact CB-CD 4.44Å; R344-K349 HydrophobicContact CB-CG 3.93Å; R344-K349 WeakPolarHBondContact O-CE 3.46Å; R344-K349 PolarHBondContact O-NZ 2.82Å; R344-K349 VanDerWaalsContact O-NZ 3.11Å; R344-E352 WeakPolarHBondContact CD-OE2 3.13Å; R344-E352 IonicContact NH1-OE1 3.32Å; R344-E352 IonicContact NH1-OE2 3.19Å; R344-E352 PolarHBondContact NH1-OE2 2.66Å; R344-E352 VanDerWaalsContact NH1-OE2 3.08Å
345H97.9Very high95.1Very high5 Ų553.8 Ų53.82%0.02325%0.25CS..  trans-77.4172.3173.859.383.8000112.6Q36 G296 K319 Q321 R343 L347 Y348 K349Q36-H345 PolarHBondContact O-NE2 2.63Å; Q36-H345 VanDerWaalsContact O-NE2 3.16Å; G296-H345 PolarHBondContact O-CE1 3.49Å; G296-H345 VanDerWaalsContact O-CE1 3.27Å; K319-H345 PolarHBondContact O-ND1 3.05Å; Q321-H345 VanDerWaalsContact C-CB 3.44Å; Q321-H345 WeakPolarHBondContact O-CB 3.3Å; R343-H345 PolarHBondContact O-N 2.96Å; H345-L347 PolarHBondContact O-N 3.28Å; H345-Y348 PolarHBondContact CE1-N 3.43Å; H345-Y348 VanDerWaalsContact CE1-N 3.28Å; H345-Y348 PolarHBondContact ND1-N 2.76Å; H345-Y348 VanDerWaalsContact ND1-N 3.15Å; H345-Y348 PolarHBondContact O-N 3.17Å; H345-K349 WeakPolarHBondContact O-CG 3.47Å; H345-K349 PolarHBondContact O-N 2.68Å
346E97.9Very high94.9Very high80 Ų8052.4 Ų52.437%0.37425%0.246SC..Hα-helixtrans-59.9-47.2-173.9-172.1179.8172.600112.1K319 Y348 K349 A350 I410 K414K319-E346 HydrophobicContact CB-CB 4.31Å; K319-E346 HydrophobicContact CG-CB 4.47Å; K319-E346 PolarHBondContact O-N 2.92Å; E346-Y348 VanDerWaalsContact C-N 3.34Å; E346-Y348 PolarHBondContact O-N 3.29Å; E346-K349 PolarHBondContact O-N 2.7Å; E346-A350 PolarHBondContact O-N 2.89Å; E346-I410 HydrophobicContact CG-CD1 4.28Å; E346-K414 IonicContact OE1-NZ 2.6Å; E346-K414 PolarHBondContact OE1-NZ 3.41Å
347L98.1Very high94.5Very high0 Ų052.1 Ų52.10%025%0.247CC..Hα-helixtrans-60.1-43.6177.617562.6000111.7T297 K319 T320 H345 K349 A350 H351 V406 E409 I410 F413T297-L347 HydrophobicContact CG2-CD1 4.1Å; T297-L347 HydrophobicContact CG2-CD2 3.76Å; T297-L347 HydrophobicContact CG2-CG 3.55Å; K319-L347 WeakPolarHBondContact O-CB 3.17Å; K319-L347 PolarHBondContact O-N 3.36Å; T320-L347 HydrophobicContact CG2-CD2 3.81Å; H345-L347 PolarHBondContact O-N 3.28Å; L347-K349 VanDerWaalsContact C-N 3.34Å; L347-K349 PolarHBondContact O-N 3.27Å; L347-A350 PolarHBondContact O-N 2.95Å; L347-H351 VanDerWaalsContact O-CB 3.29Å; L347-H351 WeakPolarHBondContact O-CB 3.41Å; L347-H351 PolarHBondContact O-N 3.12Å; L347-V406 HydrophobicContact CB-CG1 4.44Å; L347-V406 HydrophobicContact CD2-CG1 4.27Å; L347-V406 HydrophobicContact CD2-CG2 4.33Å; L347-E409 HydrophobicContact CD1-CG 4.2Å; L347-E409 WeakPolarHBondContact CD1-OE2 3.5Å; L347-I410 HydrophobicContact CB-CD1 4.06Å; L347-I410 HydrophobicContact CB-CG1 4.33Å; L347-I410 HydrophobicContact CD1-CD1 4.31Å; L347-I410 HydrophobicContact CD1-CG1 3.74Å; L347-F413 HydrophobicContact CD1-CE2 4.28Å
348Y97.6Very high94.1Very high18 Ų1852.2 Ų52.27%0.07125%0.248CC..Hα-helixtrans-59-45.9178.2-171.9-77.7000111.4V35 P298 R344 H345 E346 A350 H351 E352V35-Y348 HydrophobicContact CB-CD2 4.49Å; V35-Y348 HydrophobicContact CB-CE2 4.44Å; V35-Y348 HydrophobicContact CG1-CD2 3.85Å; V35-Y348 HydrophobicContact CG1-CE2 4.28Å; V35-Y348 HydrophobicContact CG1-CG 4.32Å; V35-Y348 HydrophobicContact CG2-CD2 4.23Å; V35-Y348 HydrophobicContact CG2-CE1 4.43Å; V35-Y348 HydrophobicContact CG2-CE2 4.01Å; P298-Y348 HydrophobicContact CG-CD2 4.5Å; P298-Y348 HydrophobicContact CG-CE2 3.87Å; R344-Y348 HydrophobicContact CB-CD1 3.72Å; R344-Y348 HydrophobicContact CB-CE1 4.33Å; R344-Y348 HydrophobicContact CB-CG 4.28Å; R344-Y348 HydrophobicContact CG-CD1 3.45Å; R344-Y348 VanDerWaalsContact CG-CD1 3.45Å; R344-Y348 HydrophobicContact CG-CE1 3.55Å; R344-Y348 HydrophobicContact CG-CG 4.26Å; H345-Y348 PolarHBondContact CE1-N 3.43Å; H345-Y348 VanDerWaalsContact CE1-N 3.28Å; H345-Y348 PolarHBondContact ND1-N 2.76Å; H345-Y348 VanDerWaalsContact ND1-N 3.15Å; H345-Y348 PolarHBondContact O-N 3.17Å; E346-Y348 VanDerWaalsContact C-N 3.34Å; E346-Y348 PolarHBondContact O-N 3.29Å; Y348-A350 PolarHBondContact O-N 2.93Å; Y348-H351 WeakPolarHBondContact O-CB 3.36Å; Y348-H351 PolarHBondContact O-N 3.04Å; Y348-E352 PolarHBondContact O-N 3.42Å
349K96.9Very high93.6Very high97 Ų9751.9 Ų51.942%0.42225%0.246SC..Hα-helixtrans-62.9-42179.6-72.5173.3173.7161.10112.1D342 R344 H345 E346 L347 H351D342-K349 IonicContact OD2-NZ 3.95Å; R344-K349 HydrophobicContact CB-CD 4.44Å; R344-K349 HydrophobicContact CB-CG 3.93Å; R344-K349 WeakPolarHBondContact O-CE 3.46Å; R344-K349 PolarHBondContact O-NZ 2.82Å; R344-K349 VanDerWaalsContact O-NZ 3.11Å; H345-K349 WeakPolarHBondContact O-CG 3.47Å; H345-K349 PolarHBondContact O-N 2.68Å; E346-K349 PolarHBondContact O-N 2.7Å; L347-K349 VanDerWaalsContact C-N 3.34Å; L347-K349 PolarHBondContact O-N 3.27Å; K349-H351 VanDerWaalsContact C-N 3.34Å
350A96.3Very high93Very high10 Ų1048 Ų488%0.08323%0.234CC..Hα-helixtrans-65.2-40.6175.400000111.3E346 L347 Y348 W353 A354 I410 F413E346-A350 PolarHBondContact O-N 2.89Å; L347-A350 PolarHBondContact O-N 2.95Å; Y348-A350 PolarHBondContact O-N 2.93Å; A350-W353 PolarHBondContact O-N 3.33Å; A350-A354 PolarHBondContact O-N 2.81Å; A350-A354 VanDerWaalsContact O-N 3.09Å; A350-I410 HydrophobicContact CB-CG1 4.33Å; A350-I410 HydrophobicContact CB-CG2 4.4Å; A350-F413 HydrophobicContact CB-CB 3.91Å; A350-F413 HydrophobicContact CB-CD2 3.87Å; A350-F413 HydrophobicContact CB-CG 4.42Å
351H95.7Very high92.4Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-66.3-41.1177.8-175.1-93.9000113.1T297 P298 R302 S303 L347 Y348 K349 W353 A354 R355 F413T297-H351 HydrophobicContact CG2-CB 3.57Å; P298-H351 PolarHBondContact O-CE1 2.82Å; R302-H351 PolarHBondContact O-NE2 2.95Å; S303-H351 PolarHBondContact OG-NE2 2.7Å; L347-H351 VanDerWaalsContact O-CB 3.29Å; L347-H351 WeakPolarHBondContact O-CB 3.41Å; L347-H351 PolarHBondContact O-N 3.12Å; Y348-H351 WeakPolarHBondContact O-CB 3.36Å; Y348-H351 PolarHBondContact O-N 3.04Å; K349-H351 VanDerWaalsContact C-N 3.34Å; H351-W353 VanDerWaalsContact C-N 3.25Å; H351-W353 PolarHBondContact O-N 2.85Å; H351-A354 CarbonylContact O-C 3.57Å; H351-A354 WeakPolarHBondContact O-CB 3.26Å; H351-A354 PolarHBondContact O-N 2.87Å; H351-R355 WeakPolarHBondContact CE1-CD 3.11Å; H351-R355 WeakPolarHBondContact CE1-CG 3.36Å; H351-R355 VanDerWaalsContact ND1-CD 3.3Å; H351-R355 WeakPolarHBondContact ND1-CD 3.09Å; H351-R355 WeakPolarHBondContact ND1-CG 3.3Å; H351-R355 WeakPolarHBondContact O-CG 3.4Å; H351-R355 PolarHBondContact O-N 3.12Å; H351-F413 HydrophobicContact CB-CD2 4.39Å; H351-F413 HydrophobicContact CB-CE2 3.93Å; H351-F413 AromaticContact CD2-CE2 3.83Å; H351-F413 AromaticContact CD2-CZ 3.89Å
352E93.9Very high92Very high89 Ų8952.3 Ų52.342%0.41626%0.256SS..Hα-helixtrans-54.6-43.8176.8-166.8-174.7117.300111.2R344 Y348 A356R344-E352 WeakPolarHBondContact CD-OE2 3.13Å; R344-E352 IonicContact NH1-OE1 3.32Å; R344-E352 IonicContact NH1-OE2 3.19Å; R344-E352 PolarHBondContact NH1-OE2 2.66Å; R344-E352 VanDerWaalsContact NH1-OE2 3.08Å; Y348-E352 PolarHBondContact O-N 3.42Å; E352-A356 PolarHBondContact O-N 3.43Å
353W89.5Confident91.6Very high117 Ų11756.9 Ų56.944%0.44328%0.275SS..Hα-helixtrans-64.7-46.6173.1176.690.8000112.3A350 H351 R355 A356 I357 F413A350-W353 PolarHBondContact O-N 3.33Å; H351-W353 VanDerWaalsContact C-N 3.25Å; H351-W353 PolarHBondContact O-N 2.85Å; W353-R355 VanDerWaalsContact C-N 3.33Å; W353-R355 PolarHBondContact O-N 3.37Å; W353-A356 PolarHBondContact O-N 3.39Å; W353-I357 HydrophobicContact CD2-CD1 3.64Å; W353-I357 HydrophobicContact CE3-CD1 3.73Å; W353-I357 HydrophobicContact CH2-CD1 3.2Å; W353-I357 HydrophobicContact CZ2-CD1 3.06Å; W353-I357 HydrophobicContact CZ2-CG1 4.48Å; W353-I357 HydrophobicContact CZ3-CD1 3.5Å; W353-I357 PolarHBondContact O-N 3.11Å; W353-F413 HydrophobicContact CE3-CB 4.5Å; W353-F413 VanDerWaalsContact CZ3-C 3.46Å; W353-F413 WeakPolarHBondContact CZ3-O 3.44Å
354A89.9Confident91.2Very high0 Ų062.3 Ų62.30%030%0.301CS..Hα-helixtrans-62.5-39.3-179.200000112.2A350 H351 A356 I357 I358 L368 F413A350-A354 PolarHBondContact O-N 2.81Å; A350-A354 VanDerWaalsContact O-N 3.09Å; H351-A354 CarbonylContact O-C 3.57Å; H351-A354 WeakPolarHBondContact O-CB 3.26Å; H351-A354 PolarHBondContact O-N 2.87Å; A354-A356 VanDerWaalsContact C-N 3.34Å; A354-A356 PolarHBondContact O-N 2.78Å; A354-I357 PolarHBondContact O-N 2.94Å; A354-I358 WeakPolarHBondContact O-CB 3.42Å; A354-I358 VanDerWaalsContact O-CG1 3.28Å; A354-I358 WeakPolarHBondContact O-CG1 3.2Å; A354-I358 PolarHBondContact O-N 2.91Å; A354-L368 HydrophobicContact CB-CD2 4.03Å; A354-F413 HydrophobicContact CB-CB 4.23Å; A354-F413 HydrophobicContact CB-CD1 3.32Å; A354-F413 HydrophobicContact CB-CD2 4.11Å; A354-F413 HydrophobicContact CB-CE1 3.56Å; A354-F413 HydrophobicContact CB-CE2 4.3Å; A354-F413 HydrophobicContact CB-CG 3.63Å; A354-F413 HydrophobicContact CB-CZ 4.05Å
355R88.6Confident90.8Very high33 Ų3358.4 Ų58.413%0.12529%0.287CS..Hα-helixtrans-58.4-45.8175.5-73.2178.381.1-173.5-1.9111.5D299 R302 H351 W353 I357 I358 E359D299-R355 IonicContact OD2-NH2 3.62Å; R302-R355 HydrophobicContact CB-CG 4.41Å; H351-R355 WeakPolarHBondContact CE1-CD 3.11Å; H351-R355 WeakPolarHBondContact CE1-CG 3.36Å; H351-R355 VanDerWaalsContact ND1-CD 3.3Å; H351-R355 WeakPolarHBondContact ND1-CD 3.09Å; H351-R355 WeakPolarHBondContact ND1-CG 3.3Å; H351-R355 WeakPolarHBondContact O-CG 3.4Å; H351-R355 PolarHBondContact O-N 3.12Å; W353-R355 VanDerWaalsContact C-N 3.33Å; W353-R355 PolarHBondContact O-N 3.37Å; R355-I357 VanDerWaalsContact C-N 3.26Å; R355-I357 PolarHBondContact O-N 3.27Å; R355-I358 PolarHBondContact O-N 2.97Å; R355-E359 WeakPolarHBondContact O-CB 3.28Å; R355-E359 PolarHBondContact O-N 3.46Å
356A87.6Confident90.4Very high62 Ų6265.1 Ų65.151%0.51231%0.312SS..Hα-helixtrans-61.8-36.817900000111.7E352 W353 A354 S360E352-A356 PolarHBondContact O-N 3.43Å; W353-A356 PolarHBondContact O-N 3.39Å; A354-A356 VanDerWaalsContact C-N 3.34Å; A354-A356 PolarHBondContact O-N 2.78Å; A356-S360 PolarHBondContact O-N 2.65Å
357I88.1Confident90.1Very high25 Ų2568.6 Ų68.613%0.12833%0.326CS..Hα-helixtrans-72-44.9176.6-70.7178.1000111.8W353 A354 R355 E359 S360 Q364 G365 L368W353-I357 HydrophobicContact CD2-CD1 3.64Å; W353-I357 HydrophobicContact CE3-CD1 3.73Å; W353-I357 HydrophobicContact CH2-CD1 3.2Å; W353-I357 HydrophobicContact CZ2-CD1 3.06Å; W353-I357 HydrophobicContact CZ2-CG1 4.48Å; W353-I357 HydrophobicContact CZ3-CD1 3.5Å; W353-I357 PolarHBondContact O-N 3.11Å; A354-I357 PolarHBondContact O-N 2.94Å; R355-I357 VanDerWaalsContact C-N 3.26Å; R355-I357 PolarHBondContact O-N 3.27Å; I357-E359 VanDerWaalsContact C-N 3.29Å; I357-E359 PolarHBondContact O-N 3.18Å; I357-S360 WeakPolarHBondContact O-CB 3.13Å; I357-S360 PolarHBondContact O-N 2.78Å; I357-S360 PolarHBondContact O-OG 2.91Å; I357-Q364 HydrophobicContact CG2-CB 4.49Å; I357-Q364 HydrophobicContact CG2-CG 4.04Å; I357-G365 WeakPolarHBondContact O-CA 3.36Å; I357-L368 HydrophobicContact CG2-CD2 4.38Å
358I86.7Confident89.8Confident16 Ų1669.4 Ų69.48%0.08233%0.33CS..Hα-helixtrans-62.6-39.9177.5-68.5166.6000110.4R302 A354 R355 S360 D361 L368 R369R302-I358 HydrophobicContact CG-CG2 4.22Å; A354-I358 WeakPolarHBondContact O-CB 3.42Å; A354-I358 VanDerWaalsContact O-CG1 3.28Å; A354-I358 WeakPolarHBondContact O-CG1 3.2Å; A354-I358 PolarHBondContact O-N 2.91Å; R355-I358 PolarHBondContact O-N 2.97Å; I358-S360 VanDerWaalsContact C-N 3.29Å; I358-S360 PolarHBondContact O-N 3.43Å; I358-D361 PolarHBondContact O-N 3.35Å; I358-D361 VanDerWaalsContact O-N 3.13Å; I358-L368 HydrophobicContact CD1-CD2 4.36Å; I358-L368 HydrophobicContact CD1-CG 4.45Å; I358-L368 HydrophobicContact CG1-CD2 4.19Å; I358-L368 HydrophobicContact CG1-CG 4.41Å; I358-R369 HydrophobicContact CG1-CB 4.48Å; I358-R369 HydrophobicContact CG2-CB 4.43Å
359E84.8Confident89.5Confident116 Ų11674.5 Ų74.554%0.54235%0.349SS..Hα-helixtrans-63.3-32.2178.5-175.6144-130.600114R302 R355 I357 D361R302-E359 IonicContact CZ-OE1 3.47Å; R302-E359 IonicContact CZ-OE2 3.76Å; R302-E359 IonicContact NH1-OE1 2.65Å; R302-E359 PolarHBondContact NH1-OE1 3.2Å; R302-E359 IonicContact NH1-OE2 2.85Å; R302-E359 PolarHBondContact NH1-OE2 2.95Å; R302-E359 IonicContact NH2-OE1 3.69Å; R302-E359 PolarHBondContact NH2-OE1 3.31Å; R302-E359 IonicContact NH2-OE2 3.58Å; R355-E359 WeakPolarHBondContact O-CB 3.28Å; R355-E359 PolarHBondContact O-N 3.46Å; I357-E359 VanDerWaalsContact C-N 3.29Å; I357-E359 PolarHBondContact O-N 3.18Å; E359-D361 PolarHBondContact O-N 3.44Å
360S82.8Confident89.3Confident53 Ų5373.7 Ų73.737%0.37136%0.355SS..THydrogen-bonded Turntrans-59.7-20.217677.50000113A356 I357 I358 Q362A356-S360 PolarHBondContact O-N 2.65Å; I357-S360 WeakPolarHBondContact O-CB 3.13Å; I357-S360 PolarHBondContact O-N 2.78Å; I357-S360 PolarHBondContact O-OG 2.91Å; I358-S360 VanDerWaalsContact C-N 3.29Å; I358-S360 PolarHBondContact O-N 3.43Å; S360-Q362 PolarHBondContact O-N 3.32Å; S360-Q362 PolarHBondContact OG-N 3.02Å
361D78.8Confident89.1Confident84 Ų8475.3 Ų75.345%0.44936%0.364SS..THydrogen-bonded Turntrans48.724.6-174.5-166.139.1000113.8I358 E359 R366I358-D361 PolarHBondContact O-N 3.35Å; I358-D361 VanDerWaalsContact O-N 3.13Å; E359-D361 PolarHBondContact O-N 3.44Å; D361-R366 PolarHBondContact O-NE 2.79Å; D361-R366 VanDerWaalsContact O-NE 3.12Å; D361-R366 PolarHBondContact O-NH2 3.44Å; D361-R366 VanDerWaalsContact OD1-CG 3.29Å; D361-R366 WeakPolarHBondContact OD1-CG 3.44Å; D361-R366 IonicContact OD1-CZ 3.99Å; D361-R366 IonicContact OD1-NE 3.46Å; D361-R366 PolarHBondContact OD1-NE 2.83Å; D361-R366 IonicContact OD1-NH2 2.82Å; D361-R366 IonicContact OD2-CZ 3.05Å; D361-R366 IonicContact OD2-NE 2.96Å; D361-R366 PolarHBondContact OD2-NE 2.63Å; D361-R366 IonicContact OD2-NH2 2.76Å; D361-R366 PolarHBondContact OD2-NH2 2.8Å
362Q87.8Confident89Confident132 Ų13275.8 Ų75.862%0.61737%0.367SS*.SBendtrans-77.6169.6171.3-62.8-176.45.800110.2S360 Q364 G365 R366S360-Q362 PolarHBondContact O-N 3.32Å; S360-Q362 PolarHBondContact OG-N 3.02Å; Q362-Q364 PolarHBondContact O-N 2.8Å; Q362-Q364 VanDerWaalsContact O-N 3.15Å; Q362-G365 PolarHBondContact O-N 3.21Å; Q362-R366 PolarHBondContact O-N 2.86Å
363E90.1Very high88.9Confident167 Ų16775 Ų7578%0.7837%0.365SS*.Hα-helixtrans-50.3-42.9-179-174.1179177.200112.7R366 K367E363-R366 PolarHBondContact O-N 2.74Å; E363-K367 VanDerWaalsContact O-CB 3.28Å; E363-K367 WeakPolarHBondContact O-CB 3.45Å; E363-K367 PolarHBondContact O-N 3.41Å
364Q88.3Confident89.1Confident122 Ų12273.5 Ų73.557%0.5736%0.363SS*.Hα-helixtrans-62.8-44.5177.1-173.4176.2-100112.4I357 Q362 K367 L368I357-Q364 HydrophobicContact CG2-CB 4.49Å; I357-Q364 HydrophobicContact CG2-CG 4.04Å; Q362-Q364 PolarHBondContact O-N 2.8Å; Q362-Q364 VanDerWaalsContact O-N 3.15Å; Q364-K367 PolarHBondContact O-N 2.83Å; Q364-L368 WeakPolarHBondContact O-CB 3.41Å; Q364-L368 PolarHBondContact O-N 2.92Å
365G90.1Very high89.3Confident1 Ų175.5 Ų75.51%0.0137%0.373CS..Hα-helixtrans-64.4-43.3177.700000112.8I357 Q362 L368 R369I357-G365 WeakPolarHBondContact O-CA 3.36Å; Q362-G365 PolarHBondContact O-N 3.21Å; G365-L368 PolarHBondContact O-N 2.93Å; G365-R369 WeakPolarHBondContact O-CB 3.02Å; G365-R369 PolarHBondContact O-N 3.16Å
366R89.5Confident89.6Confident146 Ų14674.3 Ų74.355%0.55137%0.369SS*.Hα-helixtrans-63.5-43.3175.7-68178.3-178.2166.73.1112D361 Q362 E363 R369 S370D361-R366 PolarHBondContact O-NE 2.79Å; D361-R366 VanDerWaalsContact O-NE 3.12Å; D361-R366 PolarHBondContact O-NH2 3.44Å; D361-R366 VanDerWaalsContact OD1-CG 3.29Å; D361-R366 WeakPolarHBondContact OD1-CG 3.44Å; D361-R366 IonicContact OD1-CZ 3.99Å; D361-R366 IonicContact OD1-NE 3.46Å; D361-R366 PolarHBondContact OD1-NE 2.83Å; D361-R366 IonicContact OD1-NH2 2.82Å; D361-R366 IonicContact OD2-CZ 3.05Å; D361-R366 IonicContact OD2-NE 2.96Å; D361-R366 PolarHBondContact OD2-NE 2.63Å; D361-R366 IonicContact OD2-NH2 2.76Å; D361-R366 PolarHBondContact OD2-NH2 2.8Å; Q362-R366 PolarHBondContact O-N 2.86Å; E363-R366 PolarHBondContact O-N 2.74Å; R366-R369 PolarHBondContact O-N 3.15Å; R366-S370 WeakPolarHBondContact O-CB 3.03Å; R366-S370 PolarHBondContact O-N 3.12Å
367K92.1Very high90Very high153 Ų15375.9 Ų75.967%0.66536%0.364SS*.Hα-helixtrans-64.4-44.6177.3-174.4177.8179.8-178.30111.7E363 Q364 S370 T371E363-K367 VanDerWaalsContact O-CB 3.28Å; E363-K367 WeakPolarHBondContact O-CB 3.45Å; E363-K367 PolarHBondContact O-N 3.41Å; Q364-K367 PolarHBondContact O-N 2.83Å; K367-S370 PolarHBondContact O-N 2.74Å; K367-T371 WeakPolarHBondContact O-CB 3.37Å; K367-T371 PolarHBondContact O-N 3.46Å; K367-T371 PolarHBondContact O-OG1 3.43Å
368L91.8Very high90.2Very high17 Ų1779.3 Ų79.39%0.08938%0.38CS..Hα-helixtrans-60.6-50176.5179.457.3000110.6A354 I357 I358 Q364 G365 S370 T371 M372 F412 F413A354-L368 HydrophobicContact CB-CD2 4.03Å; I357-L368 HydrophobicContact CG2-CD2 4.38Å; I358-L368 HydrophobicContact CD1-CD2 4.36Å; I358-L368 HydrophobicContact CD1-CG 4.45Å; I358-L368 HydrophobicContact CG1-CD2 4.19Å; I358-L368 HydrophobicContact CG1-CG 4.41Å; Q364-L368 WeakPolarHBondContact O-CB 3.41Å; Q364-L368 PolarHBondContact O-N 2.92Å; G365-L368 PolarHBondContact O-N 2.93Å; L368-S370 VanDerWaalsContact C-N 3.34Å; L368-S370 PolarHBondContact O-N 3.26Å; L368-T371 WeakPolarHBondContact O-CB 3.09Å; L368-T371 PolarHBondContact O-N 3.03Å; L368-T371 VanDerWaalsContact O-N 3.13Å; L368-M372 HydrophobicContact CD1-CE 4.5Å; L368-M372 HydrophobicContact CD1-CG 4.24Å; L368-M372 WeakPolarHBondContact O-CG 3.47Å; L368-M372 PolarHBondContact O-N 3.23Å; L368-F412 HydrophobicContact CD1-CB 4.39Å; L368-F412 WeakPolarHBondContact CD1-O 3.43Å; L368-F413 HydrophobicContact CD1-CD1 4.26Å; L368-F413 HydrophobicContact CD2-CD1 4.38Å
369R90.7Very high90.5Very high125 Ų12579.5 Ų79.547%0.47239%0.386SS..Hα-helixtrans-56.8-46.3176.8-174.8178.6-177.3-172.20.5112.3I358 G365 R366 T371 M372 L373I358-R369 HydrophobicContact CG1-CB 4.48Å; I358-R369 HydrophobicContact CG2-CB 4.43Å; G365-R369 WeakPolarHBondContact O-CB 3.02Å; G365-R369 PolarHBondContact O-N 3.16Å; R366-R369 PolarHBondContact O-N 3.15Å; R369-T371 VanDerWaalsContact C-N 3.31Å; R369-T371 PolarHBondContact O-N 3.15Å; R369-M372 PolarHBondContact O-N 2.87Å; R369-L373 HydrophobicContact CG-CD1 4.24Å; R369-L373 WeakPolarHBondContact O-CG 3.37Å; R369-L373 PolarHBondContact O-N 3.44Å
370S92.5Very high91.1Very high79 Ų7974.8 Ų74.855%0.55236%0.364SS*.Hα-helixtrans-62-39.7177.6-173.70000112.1R366 K367 L368 E374R366-S370 WeakPolarHBondContact O-CB 3.03Å; R366-S370 PolarHBondContact O-N 3.12Å; K367-S370 PolarHBondContact O-N 2.74Å; L368-S370 VanDerWaalsContact C-N 3.34Å; L368-S370 PolarHBondContact O-N 3.26Å; S370-E374 WeakPolarHBondContact O-CB 3.29Å; S370-E374 PolarHBondContact O-N 2.92Å; S370-E374 VanDerWaalsContact O-N 3.08Å
371T92.9Very high91.7Very high44 Ų4476.5 Ų76.527%0.2737%0.366SS..Hα-helixtrans-65.8-43178.2-54.10000110.7K367 L368 R369 E374 L375 F412K367-T371 WeakPolarHBondContact O-CB 3.37Å; K367-T371 PolarHBondContact O-N 3.46Å; K367-T371 PolarHBondContact O-OG1 3.43Å; L368-T371 WeakPolarHBondContact O-CB 3.09Å; L368-T371 PolarHBondContact O-N 3.03Å; L368-T371 VanDerWaalsContact O-N 3.13Å; R369-T371 VanDerWaalsContact C-N 3.31Å; R369-T371 PolarHBondContact O-N 3.15Å; T371-E374 PolarHBondContact O-N 2.77Å; T371-L375 WeakPolarHBondContact O-CG 3.35Å; T371-L375 PolarHBondContact O-N 2.69Å; T371-F412 HydrophobicContact CG2-CD1 3.74Å; T371-F412 HydrophobicContact CG2-CE1 3.53Å; T371-F412 HydrophobicContact CG2-CG 4.42Å; T371-F412 HydrophobicContact CG2-CZ 4.06Å
372M92.8Very high92.4Very high11 Ų1174.5 Ų74.55%0.05436%0.361CS..Hα-helixtrans-62-47.2177.1-69.4-5990.500112.8I304 L368 R369 E374 L375 E376 E409 F412 F413I304-M372 HydrophobicContact CG2-CB 3.72Å; I304-M372 WeakPolarHBondContact CG2-O 3.47Å; L368-M372 HydrophobicContact CD1-CE 4.5Å; L368-M372 HydrophobicContact CD1-CG 4.24Å; L368-M372 WeakPolarHBondContact O-CG 3.47Å; L368-M372 PolarHBondContact O-N 3.23Å; R369-M372 PolarHBondContact O-N 2.87Å; M372-E374 VanDerWaalsContact C-N 3.27Å; M372-E374 PolarHBondContact O-N 3.22Å; M372-L375 HydrophobicContact CE-CD1 3.27Å; M372-L375 HydrophobicContact CE-CG 4.45Å; M372-L375 PolarHBondContact O-N 2.87Å; M372-L375 HydrophobicContact SD-CD1 4.4Å; M372-E376 PolarHBondContact O-N 3.22Å; M372-E409 HydrophobicContact SD-CG 4.19Å; M372-F412 HydrophobicContact CE-CB 3.24Å; M372-F412 HydrophobicContact CE-CD1 4.16Å; M372-F412 HydrophobicContact CE-CD2 3.59Å; M372-F412 HydrophobicContact CE-CE2 4.47Å; M372-F412 HydrophobicContact CE-CG 3.41Å; M372-F412 VanDerWaalsContact CE-CG 3.41Å; M372-F412 HydrophobicContact SD-CB 4.28Å; M372-F413 HydrophobicContact CG-CE1 4.04Å; M372-F413 HydrophobicContact SD-CD1 4.4Å; M372-F413 HydrophobicContact SD-CE1 3.68Å; M372-F413 HydrophobicContact SD-CZ 4.23Å
373L92.5Very high92.8Very high73 Ų7368.4 Ų68.438%0.38233%0.333SS..Hα-helixtrans-65.5-32.6177.9-68.3175000112.5R369 E376 K377R369-L373 HydrophobicContact CG-CD1 4.24Å; R369-L373 WeakPolarHBondContact O-CG 3.37Å; R369-L373 PolarHBondContact O-N 3.44Å; L373-E376 PolarHBondContact O-N 2.61Å; L373-K377 WeakPolarHBondContact O-CB 3.13Å; L373-K377 PolarHBondContact O-N 3.08Å
374E93.7Very high93Very high85 Ų8565.3 Ų65.340%0.39732%0.318SS..Hα-helixtrans-68.2-39.8175-175.359.2-156.100112S370 T371 M372 K377 Q378S370-E374 WeakPolarHBondContact O-CB 3.29Å; S370-E374 PolarHBondContact O-N 2.92Å; S370-E374 VanDerWaalsContact O-N 3.08Å; T371-E374 PolarHBondContact O-N 2.77Å; M372-E374 VanDerWaalsContact C-N 3.27Å; M372-E374 PolarHBondContact O-N 3.22Å; E374-K377 PolarHBondContact O-N 3Å; E374-Q378 WeakPolarHBondContact O-CG 3.26Å; E374-Q378 PolarHBondContact O-N 3Å; E374-Q378 PolarHBondContact OE1-NE2 3.47Å
375L92.5Very high93.3Very high42 Ų4266.1 Ų66.122%0.2232%0.322CS..Hα-helixtrans-63.5-43.1173.9-68.7170.5000112.1T371 M372 K377 Q378 G379 T408 F412T371-L375 WeakPolarHBondContact O-CG 3.35Å; T371-L375 PolarHBondContact O-N 2.69Å; M372-L375 HydrophobicContact CE-CD1 3.27Å; M372-L375 HydrophobicContact CE-CG 4.45Å; M372-L375 PolarHBondContact O-N 2.87Å; M372-L375 HydrophobicContact SD-CD1 4.4Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 3.21Å; L375-Q378 PolarHBondContact O-N 3.12Å; L375-G379 PolarHBondContact O-N 2.72Å; L375-T408 HydrophobicContact CD1-CG2 4.2Å; L375-T408 HydrophobicContact CD2-CG2 4.41Å; L375-F412 HydrophobicContact CD1-CD2 3.39Å; L375-F412 HydrophobicContact CD1-CE2 3.28Å; L375-F412 HydrophobicContact CD1-CG 4.29Å; L375-F412 HydrophobicContact CD1-CZ 4.09Å; L375-F412 HydrophobicContact CD2-CE2 4Å; L375-F412 HydrophobicContact CD2-CZ 4.42Å; L375-F412 HydrophobicContact CG-CE2 4.18Å
376E95.9Very high93.5Very high8 Ų867.8 Ų67.84%0.03733%0.33CS..Hα-helixtrans-59.6-46175176.6174.79500110.8R259 I304 F305 M372 L373 Q378 G379 L380R259-E376 IonicContact CZ-OE1 2.57Å; R259-E376 VanDerWaalsContact CZ-OE1 3.26Å; R259-E376 IonicContact CZ-OE2 2.58Å; R259-E376 IonicContact NH1-OE1 2.7Å; R259-E376 PolarHBondContact NH1-OE1 3.48Å; R259-E376 IonicContact NH1-OE2 2.63Å; R259-E376 IonicContact NH2-OE1 3.54Å; R259-E376 PolarHBondContact NH2-OE1 2.87Å; R259-E376 IonicContact NH2-OE2 2.7Å; R259-E376 PolarHBondContact NH2-OE2 3.15Å; I304-E376 VanDerWaalsContact CA-OE2 3.31Å; I304-E376 WeakPolarHBondContact CA-OE2 3.46Å; I304-E376 HydrophobicContact CB-CB 4.23Å; I304-E376 HydrophobicContact CG2-CB 4.13Å; F305-E376 PolarHBondContact N-OE2 2.58Å; M372-E376 PolarHBondContact O-N 3.22Å; L373-E376 PolarHBondContact O-N 2.61Å; E376-Q378 PolarHBondContact O-N 3.15Å; E376-G379 PolarHBondContact O-N 2Å; E376-G379 VanDerWaalsContact O-N 3.14Å; E376-L380 HydrophobicContact CG-CD1 4.09Å; E376-L380 HydrophobicContact CG-CG 4.37Å; E376-L380 WeakPolarHBondContact O-CG 3.19Å; E376-L380 PolarHBondContact O-N 3.28Å
377K95.4Very high93.7Very high95 Ų9562.1 Ų62.141%0.41331%0.311SS..Hα-helixtrans-58.9-45.7178.8-175.4-173171.3-141.40112L373 E374 L375 G379 L380 E381L373-K377 WeakPolarHBondContact O-CB 3.13Å; L373-K377 PolarHBondContact O-N 3.08Å; E374-K377 PolarHBondContact O-N 3Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 3.21Å; K377-G379 VanDerWaalsContact C-N 3.3Å; K377-G379 PolarHBondContact O-N 3.08Å; K377-L380 WeakPolarHBondContact O-CB 3.49Å; K377-L380 PolarHBondContact O-N 2.95Å; K377-L380 VanDerWaalsContact O-N 3.16Å; K377-E381 WeakPolarHBondContact CE-OE1 3.44Å; K377-E381 IonicContact NZ-OE1 2.83Å; K377-E381 PolarHBondContact NZ-OE1 3.47Å; K377-E381 WeakPolarHBondContact O-CG 3.26Å; K377-E381 PolarHBondContact O-N 2.8Å
378Q92.8Very high93.6Very high97 Ų9760 Ų6045%0.45331%0.311SS..Hα-helixtrans-61-40.5175.8-71.5169.87.900111.8E374 L375 E376 E381 A382E374-Q378 WeakPolarHBondContact O-CG 3.26Å; E374-Q378 PolarHBondContact O-N 3Å; E374-Q378 PolarHBondContact OE1-NE2 3.47Å; L375-Q378 PolarHBondContact O-N 3.12Å; E376-Q378 PolarHBondContact O-N 3.15Å; Q378-E381 PolarHBondContact O-N 3.05Å; Q378-A382 PolarHBondContact O-N 2.91Å; Q378-A382 VanDerWaalsContact O-N 3.08Å
379G93.7Very high93.6Very high20 Ų2061.8 Ų61.821%0.20633%0.325CS..Hα-helixtrans-61.9-41.7173.500000112.5L375 E376 K377 A382 M383L375-G379 PolarHBondContact O-N 2.72Å; E376-G379 PolarHBondContact O-N 2Å; E376-G379 VanDerWaalsContact O-N 3.14Å; K377-G379 VanDerWaalsContact C-N 3.3Å; K377-G379 PolarHBondContact O-N 3.08Å; G379-A382 PolarHBondContact O-N 3.16Å; G379-M383 VanDerWaalsContact O-CG 3.27Å; G379-M383 WeakPolarHBondContact O-CG 3.5Å; G379-M383 PolarHBondContact O-N 2.79Å
380L95.7Very high93.3Very high17 Ų1761.7 Ų61.79%0.08934%0.344CS..Hα-helixtrans-64.9-42.6177-71.5173.3000112.5V251 M255 Y293 E376 K377 M383 E384V251-L380 HydrophobicContact CG1-CD2 3.91Å; V251-L380 HydrophobicContact CG2-CD2 4.08Å; M255-L380 HydrophobicContact CE-CD2 3.85Å; M255-L380 HydrophobicContact SD-CD1 4.09Å; M255-L380 HydrophobicContact SD-CD2 4.14Å; Y293-L380 HydrophobicContact CD1-CD2 4.42Å; Y293-L380 HydrophobicContact CE1-CD2 3.68Å; E376-L380 HydrophobicContact CG-CD1 4.09Å; E376-L380 HydrophobicContact CG-CG 4.37Å; E376-L380 WeakPolarHBondContact O-CG 3.19Å; E376-L380 PolarHBondContact O-N 3.28Å; K377-L380 WeakPolarHBondContact O-CB 3.49Å; K377-L380 PolarHBondContact O-N 2.95Å; K377-L380 VanDerWaalsContact O-N 3.16Å; L380-M383 PolarHBondContact O-N 3.27Å; L380-E384 PolarHBondContact O-N 2.8Å
381E95.5Very high93.1Very high89 Ų8965.2 Ų65.242%0.41635%0.351SS..Hα-helixtrans-60.3-45.9176-71.6172.2175.400110.9K377 Q378 M383 E384 E385K377-E381 WeakPolarHBondContact CE-OE1 3.44Å; K377-E381 IonicContact NZ-OE1 2.83Å; K377-E381 PolarHBondContact NZ-OE1 3.47Å; K377-E381 WeakPolarHBondContact O-CG 3.26Å; K377-E381 PolarHBondContact O-N 2.8Å; Q378-E381 PolarHBondContact O-N 3.05Å; E381-M383 VanDerWaalsContact C-N 3.33Å; E381-M383 PolarHBondContact O-N 3.12Å; E381-E384 PolarHBondContact O-N 3.49Å; E381-E385 PolarHBondContact O-N 2.88Å; E381-E385 VanDerWaalsContact O-N 3.08Å
382A94.3Very high92.8Very high41 Ų4169.2 Ų69.234%0.33938%0.378SS..Hα-helixtrans-62-38.1176.100000112.8Q378 G379 E385 I386Q378-A382 PolarHBondContact O-N 2.91Å; Q378-A382 VanDerWaalsContact O-N 3.08Å; G379-A382 PolarHBondContact O-N 3.16Å; A382-E385 PolarHBondContact O-N 3.42Å; A382-I386 PolarHBondContact O-N 2.81Å
383M96Very high92.8Very high4 Ų471 Ų712%0.0239%0.387CS..Hα-helixtrans-70.4-33.4176.4-67.2-53.495.700112.4I291 Y293 P307 I309 G379 L380 E381 E385 I386 L387 L401I291-M383 HydrophobicContact CD1-CB 3.82Å; I291-M383 HydrophobicContact CD1-CG 4.25Å; I291-M383 HydrophobicContact CD1-SD 4.02Å; I291-M383 HydrophobicContact CG2-CG 4.08Å; I291-M383 HydrophobicContact CG2-SD 3.94Å; Y293-M383 HydrophobicContact CE1-CG 4.07Å; Y293-M383 WeakPolarHBondContact OH-CB 3.45Å; Y293-M383 WeakPolarHBondContact OH-CG 2.93Å; P307-M383 HydrophobicContact CB-CG 3.92Å; P307-M383 HydrophobicContact CB-SD 3.88Å; P307-M383 HydrophobicContact CG-CG 4.28Å; P307-M383 HydrophobicContact CG-SD 4.34Å; I309-M383 HydrophobicContact CD1-SD 4.08Å; G379-M383 VanDerWaalsContact O-CG 3.27Å; G379-M383 WeakPolarHBondContact O-CG 3.5Å; G379-M383 PolarHBondContact O-N 2.79Å; L380-M383 PolarHBondContact O-N 3.27Å; E381-M383 VanDerWaalsContact C-N 3.33Å; E381-M383 PolarHBondContact O-N 3.12Å; M383-E385 VanDerWaalsContact C-N 3.33Å; M383-I386 HydrophobicContact CE-CD1 3.5Å; M383-I386 PolarHBondContact O-N 3.25Å; M383-I386 HydrophobicContact SD-CD1 4.06Å; M383-L387 WeakPolarHBondContact O-CG 3.48Å; M383-L387 PolarHBondContact O-N 3.36Å; M383-L401 HydrophobicContact CE-CD1 4.14Å; M383-L401 HydrophobicContact CE-CD2 3.66Å; M383-L401 HydrophobicContact SD-CD2 3.69Å
384E94.4Very high92.7Very high103 Ų10371.2 Ų71.248%0.48139%0.389SS..Hα-helixtrans-65.2-37.4173.7-171.9170.3-164.900111.5L380 E381 L387 T388L380-E384 PolarHBondContact O-N 2.8Å; E381-E384 PolarHBondContact O-N 3.49Å; E384-L387 PolarHBondContact O-N 3.49Å; E384-T388 WeakPolarHBondContact O-CB 3.27Å; E384-T388 WeakPolarHBondContact O-CG2 3.3Å; E384-T388 PolarHBondContact O-N 2.85Å; E384-T388 PolarHBondContact O-OG1 2.81Å
385E93.7Very high92.7Very high139 Ų13969.7 Ų69.765%0.6539%0.386SS*.Hα-helixtrans-61.1-43.8171.7-69.1179.7179.800111.7E381 A382 M383 L387 T388 S389E381-E385 PolarHBondContact O-N 2.88Å; E381-E385 VanDerWaalsContact O-N 3.08Å; A382-E385 PolarHBondContact O-N 3.42Å; M383-E385 VanDerWaalsContact C-N 3.33Å; E385-L387 PolarHBondContact O-N 3.19Å; E385-T388 PolarHBondContact O-N 2.86Å; E385-T388 PolarHBondContact O-OG1 3.36Å; E385-S389 WeakPolarHBondContact O-CB 3.5Å; E385-S389 PolarHBondContact O-N 2.84Å
386I94.3Very high92.7Very high35 Ų3571.5 Ų71.518%0.17941%0.408CS..Hα-helixtrans-61.6-44.2175.3-68.3175.7000111.4P289 I309 A382 M383 T388 S389 L393 V398P289-I386 HydrophobicContact CG-CG2 3.67Å; I309-I386 HydrophobicContact CD1-CD1 4.19Å; I309-I386 HydrophobicContact CD1-CG2 4.44Å; A382-I386 PolarHBondContact O-N 2.81Å; M383-I386 HydrophobicContact CE-CD1 3.5Å; M383-I386 PolarHBondContact O-N 3.25Å; M383-I386 HydrophobicContact SD-CD1 4.06Å; I386-T388 VanDerWaalsContact C-N 3.28Å; I386-T388 PolarHBondContact O-N 2.9Å; I386-S389 PolarHBondContact O-N 3.42Å; I386-L393 HydrophobicContact CD1-CD1 4.19Å; I386-L393 HydrophobicContact CG1-CD1 4.49Å; I386-L393 HydrophobicContact CG2-CD1 4.01Å; I386-V398 HydrophobicContact CD1-CG1 3.86Å
387L93.8Very high92.5Very high27 Ų2777.8 Ų77.814%0.14144%0.437CS..Hα-helixtrans-65.1-32.3-178.8-73.3175.8000113.1L21 V281 P283 I291 M383 E384 E385L21-L387 HydrophobicContact CD1-CD1 4.26Å; L21-L387 HydrophobicContact CD2-CD1 4.49Å; V281-L387 HydrophobicContact CG1-CD1 4Å; P283-L387 HydrophobicContact CG-CD2 3.53Å; I291-L387 HydrophobicContact CD1-CD1 4.07Å; I291-L387 HydrophobicContact CD1-CD2 3.72Å; I291-L387 HydrophobicContact CD1-CG 3.62Å; I291-L387 HydrophobicContact CG1-CD2 4.13Å; M383-L387 WeakPolarHBondContact O-CG 3.48Å; M383-L387 PolarHBondContact O-N 3.36Å; E384-L387 PolarHBondContact O-N 3.49Å; E385-L387 PolarHBondContact O-N 3.19Å
388T91Very high92.5Very high109 Ų10973.7 Ų73.767%0.66942%0.42SS*.Hα-helixtrans-94.3-10.5-17856.80000113.5E384 E385 I386E384-T388 WeakPolarHBondContact O-CB 3.27Å; E384-T388 WeakPolarHBondContact O-CG2 3.3Å; E384-T388 PolarHBondContact O-N 2.85Å; E384-T388 PolarHBondContact O-OG1 2.81Å; E385-T388 PolarHBondContact O-N 2.86Å; E385-T388 PolarHBondContact O-OG1 3.36Å; I386-T388 VanDerWaalsContact C-N 3.28Å; I386-T388 PolarHBondContact O-N 2.9Å
389S90.7Very high92.7Very high54 Ų5469.7 Ų69.738%0.37840%0.404SS..  trans-66.8139.8177.2-174.50000112.2E385 I386 E391E385-S389 WeakPolarHBondContact O-CB 3.5Å; E385-S389 PolarHBondContact O-N 2.84Å; I386-S389 PolarHBondContact O-N 3.42Å; S389-E391 PolarHBondContact OG-N 3.33Å
390S85.9Confident92.8Very high124 Ų12471.3 Ų71.387%0.86741%0.408SS*.  trans-89.6-9.6168.157.80000113.2
391E87.7Confident92.8Very high152 Ų15272 Ų7271%0.7141%0.412SS*.SBendtrans-80.4144.2-179.1-60.6-167.8168.200110.3S389 L393S389-E391 PolarHBondContact OG-N 3.33Å; E391-L393 PolarHBondContact O-N 3.36Å
392P87.1Confident92.9Very high128 Ų12868.1 Ų68.183%0.83139%0.394SS*.PPolyproline II helixtrans-58.4135172.2-20.432.2000110.5D394P392-D394 PolarHBondContact O-N 2.99Å
393L91.4Very high93.1Very high49 Ų4968.6 Ų68.626%0.25739%0.387SS..PPolyproline II helixtrans-61.6125.9174.5-178.266.9000110P289 I309 V311 I386 E391 P395 V398P289-L393 HydrophobicContact CB-CD2 4.1Å; P289-L393 HydrophobicContact CG-CD2 4.14Å; I309-L393 HydrophobicContact CD1-CD2 4.43Å; I309-L393 HydrophobicContact CG2-CD2 3.85Å; V311-L393 HydrophobicContact CG1-CD2 3.95Å; I386-L393 HydrophobicContact CD1-CD1 4.19Å; I386-L393 HydrophobicContact CG1-CD1 4.49Å; I386-L393 HydrophobicContact CG2-CD1 4.01Å; E391-L393 PolarHBondContact O-N 3.36Å; L393-P395 WeakPolarHBondContact O-CD 3.43Å; L393-V398 HydrophobicContact CD1-CG1 3.89Å; L393-V398 HydrophobicContact CD1-CG2 4.11Å; L393-V398 HydrophobicContact CD2-CG2 3.99Å; L393-V398 HydrophobicContact CG-CG2 4.12Å
394D92.2Very high93.1Very high78 Ų7871.8 Ų71.842%0.41740%0.404SS..  trans-82.1115.5170.6-174.4-8.5000109.4P392 A396 E397P392-D394 PolarHBondContact O-N 2.99Å; D394-A396 PolarHBondContact O-N 2.98Å; D394-A396 VanDerWaalsContact O-N 3.11Å; D394-A396 WeakPolarHBondContact OD1-CB 3.12Å; D394-A396 PolarHBondContact OD1-N 3.45Å; D394-E397 HydrophobicContact CB-CB 4.46Å; D394-E397 HydrophobicContact CB-CG 3.96Å; D394-E397 PolarHBondContact O-N 3.24Å
395P93.7Very high93.2Very high52 Ų5268.5 Ų68.534%0.33839%0.392SS..Hα-helixtrans-51.9-32.9175.4-29.838.8000113.7V311 L393 E397 V398 G399V311-P395 HydrophobicContact CB-CB 3.99Å; V311-P395 HydrophobicContact CB-CG 4.49Å; V311-P395 HydrophobicContact CG1-CB 4.48Å; V311-P395 HydrophobicContact CG2-CB 4.37Å; L393-P395 WeakPolarHBondContact O-CD 3.43Å; P395-E397 PolarHBondContact O-N 3.38Å; P395-V398 PolarHBondContact O-N 2.59Å; P395-G399 WeakPolarHBondContact O-CA 3.34Å; P395-G399 PolarHBondContact O-N 3.45Å
396A92.4Very high93.4Very high81 Ų8161.9 Ų61.967%0.66936%0.361SS*.Hα-helixtrans-69.1-19.9-178.600000113.5D394D394-A396 PolarHBondContact O-N 2.98Å; D394-A396 VanDerWaalsContact O-N 3.11Å; D394-A396 WeakPolarHBondContact OD1-CB 3.12Å; D394-A396 PolarHBondContact OD1-N 3.45Å
397E91.8Very high93.5Very high140 Ų14061.6 Ų61.665%0.65436%0.36SS*.Hα-helixtrans-84.9-21.5178.6-67.9-175.1165.100113.1D394 P395D394-E397 HydrophobicContact CB-CB 4.46Å; D394-E397 HydrophobicContact CB-CG 3.96Å; D394-E397 PolarHBondContact O-N 3.24Å; P395-E397 PolarHBondContact O-N 3.38Å
398V95.3Very high93.6Very high9 Ų962.6 Ų62.66%0.05537%0.367CS..Hα-helixtrans-126-9.1-172.9-61.20000114.6I309 V311 I386 L393 P395 D400 L401I309-V398 HydrophobicContact CD1-CG1 4.35Å; V311-V398 HydrophobicContact CG1-CG2 3.66Å; V311-V398 HydrophobicContact CG2-CG2 4.09Å; I386-V398 HydrophobicContact CD1-CG1 3.86Å; L393-V398 HydrophobicContact CD1-CG1 3.89Å; L393-V398 HydrophobicContact CD1-CG2 4.11Å; L393-V398 HydrophobicContact CD2-CG2 3.99Å; L393-V398 HydrophobicContact CG-CG2 4.12Å; P395-V398 PolarHBondContact O-N 2.59Å; V398-D400 PolarHBondContact O-N 2.83Å; V398-D400 VanDerWaalsContact O-N 3.15Å; V398-L401 HydrophobicContact CB-CB 4.42Å; V398-L401 WeakPolarHBondContact O-CB 3.27Å; V398-L401 PolarHBondContact O-N 3.08Å
399G95.6Very high93.8Very high12 Ų1257.5 Ų57.512%0.12434%0.336CS..THydrogen-bonded Turntrans-60.6-24-178.600000114K315 P395K315-G399 WeakPolarHBondContact CB-O 3.37Å; K315-G399 PolarHBondContact N-O 2.96Å; P395-G399 WeakPolarHBondContact O-CA 3.34Å; P395-G399 PolarHBondContact O-N 3.45Å
400D96.6Very high94Very high54 Ų5455.1 Ų55.129%0.28932%0.319SS..THydrogen-bonded Turntrans-111.39.8174.562.2-4.9000114.5K315 V398 F402 Y403 D404K315-D400 HydrophobicContact CB-CB 4.03Å; K315-D400 HydrophobicContact CD-CB 3.5Å; K315-D400 VanDerWaalsContact CD-CB 3.5Å; K315-D400 HydrophobicContact CG-CB 4.47Å; V398-D400 PolarHBondContact O-N 2.83Å; V398-D400 VanDerWaalsContact O-N 3.15Å; D400-F402 PolarHBondContact O-N 2.91Å; D400-Y403 WeakPolarHBondContact O-CA 3.07Å; D400-Y403 WeakPolarHBondContact O-CB 3.49Å; D400-Y403 PolarHBondContact O-N 2.66Å; D400-D404 PolarHBondContact O-N 2.74Å
401L96.2Very high94.4Very high31 Ų3155 Ų5516%0.16230%0.303CS..Hα-helixtrans-52.6-53.5-177.1179.664.7000112.8P307 M383 V398 Y403 D404 C405P307-L401 HydrophobicContact CB-CD2 3.75Å; P307-L401 HydrophobicContact CB-CG 4.3Å; P307-L401 HydrophobicContact CG-CD1 4.04Å; P307-L401 HydrophobicContact CG-CD2 3.74Å; P307-L401 HydrophobicContact CG-CG 3.81Å; M383-L401 HydrophobicContact CE-CD1 4.14Å; M383-L401 HydrophobicContact CE-CD2 3.66Å; M383-L401 HydrophobicContact SD-CD2 3.69Å; V398-L401 HydrophobicContact CB-CB 4.42Å; V398-L401 WeakPolarHBondContact O-CB 3.27Å; V398-L401 PolarHBondContact O-N 3.08Å; L401-Y403 VanDerWaalsContact C-N 3.32Å; L401-Y403 PolarHBondContact O-N 2.76Å; L401-D404 PolarHBondContact O-N 3.24Å; L401-C405 PolarHBondContact O-N 3.03Å; L401-C405 VanDerWaalsContact O-N 3.09Å; L401-C405 PolarHBondContact O-SG 3.37Å
402F97.6Very high94.5Very high9 Ų951.8 Ų51.84%0.03929%0.287CS..Hα-helixtrans-64.1-39.2179.6-173.3-108.7000111.7V38 M69 F294 K306 P307 F308 V317 T320 D400 V406V38-F402 HydrophobicContact CB-CE1 4.4Å; V38-F402 HydrophobicContact CB-CZ 4.03Å; V38-F402 HydrophobicContact CG1-CE1 3.99Å; V38-F402 HydrophobicContact CG1-CE2 4.45Å; V38-F402 HydrophobicContact CG1-CZ 3.66Å; M69-F402 HydrophobicContact CE-CD1 3.66Å; M69-F402 HydrophobicContact CE-CD2 4.28Å; M69-F402 HydrophobicContact CE-CE1 3.67Å; M69-F402 HydrophobicContact CE-CE2 4.26Å; M69-F402 HydrophobicContact CE-CG 4.01Å; M69-F402 HydrophobicContact CE-CZ 3.99Å; F294-F402 HydrophobicContact CB-CE2 4.12Å; F294-F402 HydrophobicContact CD2-CE2 4.46Å; K306-F402 HydrophobicContact CB-CD2 3.62Å; K306-F402 HydrophobicContact CB-CE2 3.53Å; P307-F402 WeakPolarHBondContact O-CA 3.16Å; P307-F402 WeakPolarHBondContact O-CB 3.21Å; P307-F402 PolarHBondContact O-N 2.48Å; F308-F402 HydrophobicContact CB-CB 4.32Å; F308-F402 HydrophobicContact CB-CD2 4.4Å; F308-F402 HydrophobicContact CD2-CB 4.16Å; V317-F402 HydrophobicContact CB-CD1 4.12Å; V317-F402 HydrophobicContact CB-CE1 4.24Å; V317-F402 HydrophobicContact CG1-CE1 4.45Å; V317-F402 HydrophobicContact CG2-CD1 3.59Å; V317-F402 HydrophobicContact CG2-CE1 4.21Å; T320-F402 HydrophobicContact CG2-CE1 3.96Å; T320-F402 HydrophobicContact CG2-CZ 4.14Å; D400-F402 PolarHBondContact O-N 2.91Å; F402-V406 HydrophobicContact CD1-CG2 4.42Å; F402-V406 HydrophobicContact CE1-CG2 4.06Å; F402-V406 HydrophobicContact CE2-CG2 4.44Å; F402-V406 HydrophobicContact CZ-CG2 4.07Å; F402-V406 VanDerWaalsContact O-CG2 3.28Å; F402-V406 WeakPolarHBondContact O-CG2 3.38Å; F402-V406 PolarHBondContact O-N 3.47Å; F402-V406 VanDerWaalsContact O-N 3.1Å
403Y97.8Very high94.5Very high51 Ų5146 Ų4620%0.225%0.248CC..Hα-helixtrans-60.8-48.6177174.8-81.9000111.2K315 V317 D400 L401 V406 D407K315-Y403 HydrophobicContact CD-CD1 3.86Å; K315-Y403 HydrophobicContact CD-CD2 3.91Å; K315-Y403 HydrophobicContact CD-CE1 4.46Å; K315-Y403 HydrophobicContact CD-CE2 4.48Å; K315-Y403 HydrophobicContact CD-CG 3.59Å; K315-Y403 VanDerWaalsContact CE-CD1 3.48Å; K315-Y403 HydrophobicContact CG-CD2 4.07Å; K315-Y403 HydrophobicContact CG-CG 4.11Å; V317-Y403 HydrophobicContact CG1-CD2 4.46Å; V317-Y403 HydrophobicContact CG2-CD2 4.17Å; V317-Y403 HydrophobicContact CG2-CG 4.42Å; D400-Y403 WeakPolarHBondContact O-CA 3.07Å; D400-Y403 WeakPolarHBondContact O-CB 3.49Å; D400-Y403 PolarHBondContact O-N 2.66Å; L401-Y403 VanDerWaalsContact C-N 3.32Å; L401-Y403 PolarHBondContact O-N 2.76Å; Y403-V406 PolarHBondContact O-N 3.24Å; Y403-D407 HydrophobicContact CE1-CB 4.22Å; Y403-D407 WeakPolarHBondContact O-CB 3.48Å; Y403-D407 PolarHBondContact O-N 3.4Å
404D96.6Very high93.8Very high71 Ų7152.1 Ų52.138%0.3827%0.273SS..Hα-helixtrans-67.8-38.8-175.3-85.83.8000111.6D400 L401 D407 T408D400-D404 PolarHBondContact O-N 2.74Å; L401-D404 PolarHBondContact O-N 3.24Å; D404-D407 PolarHBondContact O-N 3.43Å; D404-T408 WeakPolarHBondContact O-CB 3.41Å; D404-T408 PolarHBondContact O-N 3.24Å; D404-T408 PolarHBondContact O-OG1 2.7Å
405C96.8Very high93.9Very high33 Ų3350.9 Ų50.922%0.22327%0.266CS..Hα-helixtrans-64-43.2173.5-630000111.7K306 L401 T408 E409K306-C405 HydrophobicContact CB-CB 4.06Å; K306-C405 HydrophobicContact CG-CB 3.6Å; L401-C405 PolarHBondContact O-N 3.03Å; L401-C405 VanDerWaalsContact O-N 3.09Å; L401-C405 PolarHBondContact O-SG 3.37Å; C405-T408 PolarHBondContact O-N 3.33Å; C405-E409 WeakPolarHBondContact O-CB 3.45Å; C405-E409 PolarHBondContact O-N 3.01Å
406V97.4Very high93.9Very high0 Ų050.8 Ų50.80%026%0.262CS..Hα-helixtrans-64-44.8176.4168.70000111.8K306 V317 K319 T320 L347 F402 Y403 T408 E409 I410K306-V406 HydrophobicContact CD-CG2 3.7Å; K306-V406 HydrophobicContact CG-CG2 4.46Å; V317-V406 HydrophobicContact CG1-CB 4.03Å; V317-V406 HydrophobicContact CG1-CG1 3.88Å; V317-V406 HydrophobicContact CG1-CG2 4.16Å; K319-V406 HydrophobicContact CB-CG1 3.96Å; T320-V406 HydrophobicContact CG2-CG1 3.99Å; T320-V406 HydrophobicContact CG2-CG2 3.73Å; L347-V406 HydrophobicContact CB-CG1 4.44Å; L347-V406 HydrophobicContact CD2-CG1 4.27Å; L347-V406 HydrophobicContact CD2-CG2 4.33Å; F402-V406 HydrophobicContact CD1-CG2 4.42Å; F402-V406 HydrophobicContact CE1-CG2 4.06Å; F402-V406 HydrophobicContact CE2-CG2 4.44Å; F402-V406 HydrophobicContact CZ-CG2 4.07Å; F402-V406 VanDerWaalsContact O-CG2 3.28Å; F402-V406 WeakPolarHBondContact O-CG2 3.38Å; F402-V406 PolarHBondContact O-N 3.47Å; F402-V406 VanDerWaalsContact O-N 3.1Å; Y403-V406 PolarHBondContact O-N 3.24Å; V406-T408 VanDerWaalsContact C-N 3.32Å; V406-T408 PolarHBondContact O-N 2.91Å; V406-E409 PolarHBondContact O-N 2.98Å; V406-I410 HydrophobicContact CG1-CD1 3.92Å; V406-I410 WeakPolarHBondContact O-CG1 3.24Å; V406-I410 PolarHBondContact O-N 2.94Å
407D96.5Very high94Very high30 Ų3049.1 Ų49.116%0.1624%0.239CC..Hα-helixtrans-64.8-40179.5-169.253.2000111.5K319 Y403 D404 K411K319-D407 IonicContact NZ-OD1 3.98Å; K319-D407 PolarHBondContact NZ-OD1 2.95Å; Y403-D407 HydrophobicContact CE1-CB 4.22Å; Y403-D407 WeakPolarHBondContact O-CB 3.48Å; Y403-D407 PolarHBondContact O-N 3.4Å; D404-D407 PolarHBondContact O-N 3.43Å; D407-K411 VanDerWaalsContact O-CG 3.29Å; D407-K411 WeakPolarHBondContact O-CG 3.49Å; D407-K411 PolarHBondContact O-N 2.98Å; D407-K411 VanDerWaalsContact O-N 3.15Å; D407-K411 WeakPolarHBondContact OD2-CE 3.44Å; D407-K411 IonicContact OD2-NZ 2.64Å; D407-K411 PolarHBondContact OD2-NZ 3.37Å
408T95.3Very high94.1Very high48 Ų4843.8 Ų43.829%0.29422%0.215SC..Hα-helixtrans-64.8-47.3176.3-62.20000111.3L375 D404 C405 V406 I410 K411 F412L375-T408 HydrophobicContact CD1-CG2 4.2Å; L375-T408 HydrophobicContact CD2-CG2 4.41Å; D404-T408 WeakPolarHBondContact O-CB 3.41Å; D404-T408 PolarHBondContact O-N 3.24Å; D404-T408 PolarHBondContact O-OG1 2.7Å; C405-T408 PolarHBondContact O-N 3.33Å; V406-T408 VanDerWaalsContact C-N 3.32Å; V406-T408 PolarHBondContact O-N 2.91Å; T408-I410 PolarHBondContact O-N 3.04Å; T408-K411 WeakPolarHBondContact O-CB 3.18Å; T408-K411 PolarHBondContact O-N 3.28Å; T408-K411 VanDerWaalsContact O-N 3.12Å; T408-F412 HydrophobicContact CG2-CD2 3.82Å; T408-F412 HydrophobicContact CG2-CE2 3.49Å; T408-F412 VanDerWaalsContact CG2-CE2 3.49Å; T408-F412 WeakPolarHBondContact O-CD2 3.38Å; T408-F412 PolarHBondContact O-N 3.49Å; T408-F412 VanDerWaalsContact O-N 3.13Å
409E95.1Very high94Very high1 Ų145.9 Ų45.91%0.00523%0.225CC..Hα-helixtrans-57.8-47177.1-176.2-175.4-15700112.2I304 K306 L347 M372 C405 V406 K411 F412 F413I304-E409 HydrophobicContact CD1-CB 4.16Å; I304-E409 HydrophobicContact CD1-CG 4.07Å; I304-E409 HydrophobicContact CG1-CG 4.3Å; I304-E409 WeakPolarHBondContact CG1-OE1 3.26Å; K306-E409 WeakPolarHBondContact CD-OE2 3.38Å; K306-E409 WeakPolarHBondContact CE-OE2 3.12Å; K306-E409 IonicContact NZ-OE1 2.76Å; K306-E409 PolarHBondContact NZ-OE1 3.33Å; K306-E409 IonicContact NZ-OE2 3.72Å; K306-E409 PolarHBondContact NZ-OE2 3.12Å; L347-E409 HydrophobicContact CD1-CG 4.2Å; L347-E409 WeakPolarHBondContact CD1-OE2 3.5Å; M372-E409 HydrophobicContact SD-CG 4.19Å; C405-E409 WeakPolarHBondContact O-CB 3.45Å; C405-E409 PolarHBondContact O-N 3.01Å; V406-E409 PolarHBondContact O-N 2.98Å; E409-K411 VanDerWaalsContact C-N 3.25Å; E409-K411 PolarHBondContact O-N 3.44Å; E409-F412 PolarHBondContact O-N 3.19Å; E409-F413 HydrophobicContact CG-CD2 4.08Å; E409-F413 HydrophobicContact CG-CE1 4.19Å; E409-F413 HydrophobicContact CG-CE2 3.45Å; E409-F413 VanDerWaalsContact CG-CE2 3.45Å; E409-F413 HydrophobicContact CG-CZ 3.51Å; E409-F413 WeakPolarHBondContact O-CG 3.41Å; E409-F413 PolarHBondContact O-N 3.06Å
410I95.4Very high93.9Very high4 Ų448.2 Ų48.22%0.02123%0.232CC..Hα-helixtrans-59.6-37.6177-70.8167.2000111.4K319 E346 L347 A350 V406 T408 F412 F413 K414K319-I410 HydrophobicContact CB-CD1 3.98Å; K319-I410 HydrophobicContact CD-CD1 3.74Å; K319-I410 HydrophobicContact CG-CD1 4.34Å; E346-I410 HydrophobicContact CG-CD1 4.28Å; L347-I410 HydrophobicContact CB-CD1 4.06Å; L347-I410 HydrophobicContact CB-CG1 4.33Å; L347-I410 HydrophobicContact CD1-CD1 4.31Å; L347-I410 HydrophobicContact CD1-CG1 3.74Å; A350-I410 HydrophobicContact CB-CG1 4.33Å; A350-I410 HydrophobicContact CB-CG2 4.4Å; V406-I410 HydrophobicContact CG1-CD1 3.92Å; V406-I410 WeakPolarHBondContact O-CG1 3.24Å; V406-I410 PolarHBondContact O-N 2.94Å; T408-I410 PolarHBondContact O-N 3.04Å; I410-F412 VanDerWaalsContact C-N 3.31Å; I410-F412 PolarHBondContact O-N 3.38Å; I410-F413 PolarHBondContact O-N 3.38Å; I410-K414 HydrophobicContact CG2-CD 4.08Å; I410-K414 WeakPolarHBondContact O-CG 3.37Å; I410-K414 PolarHBondContact O-N 2.92Å
411K93.7Very high93.7Very high123 Ų12347.8 Ų47.854%0.53523%0.228SC..Hα-helixtrans-65.6-33.3176.4-72167-169.1160.60112.4D407 T408 E409 K414D407-K411 VanDerWaalsContact O-CG 3.29Å; D407-K411 WeakPolarHBondContact O-CG 3.49Å; D407-K411 PolarHBondContact O-N 2.98Å; D407-K411 VanDerWaalsContact O-N 3.15Å; D407-K411 WeakPolarHBondContact OD2-CE 3.44Å; D407-K411 IonicContact OD2-NZ 2.64Å; D407-K411 PolarHBondContact OD2-NZ 3.37Å; T408-K411 WeakPolarHBondContact O-CB 3.18Å; T408-K411 PolarHBondContact O-N 3.28Å; T408-K411 VanDerWaalsContact O-N 3.12Å; E409-K411 VanDerWaalsContact C-N 3.25Å; E409-K411 PolarHBondContact O-N 3.44Å; K411-K414 VanDerWaalsContact O-OXT 3.11Å
412F89.6Confident93.5Very high84 Ų8449.1 Ų49.137%0.36823%0.233SC..Hα-helixtrans-78-22.7175.9-77.4-72.4000113.3L368 T371 M372 L375 T408 E409 I410 K414L368-F412 HydrophobicContact CD1-CB 4.39Å; L368-F412 WeakPolarHBondContact CD1-O 3.43Å; T371-F412 HydrophobicContact CG2-CD1 3.74Å; T371-F412 HydrophobicContact CG2-CE1 3.53Å; T371-F412 HydrophobicContact CG2-CG 4.42Å; T371-F412 HydrophobicContact CG2-CZ 4.06Å; M372-F412 HydrophobicContact CE-CB 3.24Å; M372-F412 HydrophobicContact CE-CD1 4.16Å; M372-F412 HydrophobicContact CE-CD2 3.59Å; M372-F412 HydrophobicContact CE-CE2 4.47Å; M372-F412 HydrophobicContact CE-CG 3.41Å; M372-F412 VanDerWaalsContact CE-CG 3.41Å; M372-F412 HydrophobicContact SD-CB 4.28Å; L375-F412 HydrophobicContact CD1-CD2 3.39Å; L375-F412 HydrophobicContact CD1-CE2 3.28Å; L375-F412 HydrophobicContact CD1-CG 4.29Å; L375-F412 HydrophobicContact CD1-CZ 4.09Å; L375-F412 HydrophobicContact CD2-CE2 4Å; L375-F412 HydrophobicContact CD2-CZ 4.42Å; L375-F412 HydrophobicContact CG-CE2 4.18Å; T408-F412 HydrophobicContact CG2-CD2 3.82Å; T408-F412 HydrophobicContact CG2-CE2 3.49Å; T408-F412 VanDerWaalsContact CG2-CE2 3.49Å; T408-F412 WeakPolarHBondContact O-CD2 3.38Å; T408-F412 PolarHBondContact O-N 3.49Å; T408-F412 VanDerWaalsContact O-N 3.13Å; E409-F412 PolarHBondContact O-N 3.19Å; I410-F412 VanDerWaalsContact C-N 3.31Å; I410-F412 PolarHBondContact O-N 3.38Å; F412-K414 VanDerWaalsContact C-N 3.33Å
413F87.2Confident93.2Very high5 Ų552.4 Ų52.42%0.02225%0.249CC..THydrogen-bonded Turntrans-83.8-0.4172.7-64.8-15.9000114L347 A350 H351 W353 A354 L368 M372 E409 I410L347-F413 HydrophobicContact CD1-CE2 4.28Å; A350-F413 HydrophobicContact CB-CB 3.91Å; A350-F413 HydrophobicContact CB-CD2 3.87Å; A350-F413 HydrophobicContact CB-CG 4.42Å; H351-F413 HydrophobicContact CB-CD2 4.39Å; H351-F413 HydrophobicContact CB-CE2 3.93Å; H351-F413 AromaticContact CD2-CE2 3.83Å; H351-F413 AromaticContact CD2-CZ 3.89Å; W353-F413 HydrophobicContact CE3-CB 4.5Å; W353-F413 VanDerWaalsContact CZ3-C 3.46Å; W353-F413 WeakPolarHBondContact CZ3-O 3.44Å; A354-F413 HydrophobicContact CB-CB 4.23Å; A354-F413 HydrophobicContact CB-CD1 3.32Å; A354-F413 HydrophobicContact CB-CD2 4.11Å; A354-F413 HydrophobicContact CB-CE1 3.56Å; A354-F413 HydrophobicContact CB-CE2 4.3Å; A354-F413 HydrophobicContact CB-CG 3.63Å; A354-F413 HydrophobicContact CB-CZ 4.05Å; L368-F413 HydrophobicContact CD1-CD1 4.26Å; L368-F413 HydrophobicContact CD2-CD1 4.38Å; M372-F413 HydrophobicContact CG-CE1 4.04Å; M372-F413 HydrophobicContact SD-CD1 4.4Å; M372-F413 HydrophobicContact SD-CE1 3.68Å; M372-F413 HydrophobicContact SD-CZ 4.23Å; E409-F413 HydrophobicContact CG-CD2 4.08Å; E409-F413 HydrophobicContact CG-CE1 4.19Å; E409-F413 HydrophobicContact CG-CE2 3.45Å; E409-F413 VanDerWaalsContact CG-CE2 3.45Å; E409-F413 HydrophobicContact CG-CZ 3.51Å; E409-F413 WeakPolarHBondContact O-CG 3.41Å; E409-F413 PolarHBondContact O-N 3.06Å; I410-F413 PolarHBondContact O-N 3.38Å
414K77Confident92.8Very high179 Ų17952.5 Ų52.578%0.77825%0.253SS*.  trans-116.30176.6-71.2175-177.3168.50109.1E346 I410 K411 F412E346-K414 IonicContact OE1-NZ 2.6Å; E346-K414 PolarHBondContact OE1-NZ 3.41Å; I410-K414 HydrophobicContact CG2-CD 4.08Å; I410-K414 WeakPolarHBondContact O-CG 3.37Å; I410-K414 PolarHBondContact O-N 2.92Å; K411-K414 VanDerWaalsContact O-OXT 3.11Å; F412-K414 VanDerWaalsContact C-N 3.33Å

Retrieved 414 of 414 residues in 427 ms (Link to these results)

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