A0A087YIW4_POEFO Loading...

Epoxide hydrolase 2, cytoplasmic

AlphaFold DB , UniProt , Accession A0A087YIW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 566 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
1M35.2Very low83.5Confident241 Ų24157.1 Ų57.1100%1.18732%0.322SS*.  0115.70-75-172.3-100.600107.1G3M1-G3 PolarHBondContact O-N 3.08Å
2A48.8Very low84.3Confident108 Ų10853.5 Ų53.589%0.89330%0.299SS*.PPolyproline II helixtrans-63.7125.8171.300000107.8
3G66.1Low84.8Confident39 Ų3950.2 Ų50.240%0.40228%0.284SS..PPolyproline II helixtrans-62.1146.2-179.800000111.3M1 K5M1-G3 PolarHBondContact O-N 3.08Å; G3-K5 PolarHBondContact O-N 2.99Å
4K87.9Confident85.6Confident149 Ų14946.6 Ų46.665%0.64826%0.264SS*.PPolyproline II helixtrans-56.5134.4171.3-75-178.4175.6-179.20108.8I175 Q179K4-I175 WeakPolarHBondContact O-CD1 3.49Å; K4-Q179 PolarHBondContact O-OE1 3.34Å
5K96.1Very high86.3Confident72 Ų7243.5 Ų43.531%0.31325%0.246SC..  trans-106.4155.3175.5-68.9177-176166.30110G3 V117 L118 Q179 F216G3-K5 PolarHBondContact O-N 2.99Å; K5-V117 HydrophobicContact CB-CG1 4.47Å; K5-L118 PolarHBondContact O-N 2.98Å; K5-Q179 WeakPolarHBondContact CA-O 3.15Å; K5-F216 HydrophobicContact CB-CE1 4.15Å; K5-F216 HydrophobicContact CD-CD1 4.47Å; K5-F216 HydrophobicContact CD-CE1 4.26Å; K5-F216 HydrophobicContact CD-CZ 4.49Å; K5-F216 VanDerWaalsContact CD-O 3.23Å; K5-F216 WeakPolarHBondContact CD-O 3.5Å; K5-F216 VanDerWaalsContact CE-O 3.27Å; K5-F216 WeakPolarHBondContact CE-O 3.49Å; K5-F216 HydrophobicContact CG-CE1 4.36Å; K5-F216 PolarHBondContact NZ-O 3.36Å
6A97.6Very high86.7Confident0 Ų040.8 Ų40.80%023%0.231CC..EExtended strand (participates in β ladder)trans-127.3144.5174.100000112.3L8 L118 L173 I175 Q179 A180 L181A6-L8 HydrophobicContact CB-CD1 3.71Å; A6-L118 CarbonylContact C-O 3.58Å; A6-L118 WeakPolarHBondContact CA-O 3.5Å; A6-L118 HydrophobicContact CB-CB 3.95Å; A6-L173 HydrophobicContact CB-CD1 4.12Å; A6-I175 HydrophobicContact CB-CD1 3.47Å; A6-I175 VanDerWaalsContact CB-CD1 3.47Å; A6-I175 HydrophobicContact CB-CG2 4.12Å; A6-Q179 PolarHBondContact N-O 3.4Å; A6-A180 HydrophobicContact CB-CB 4.41Å; A6-A180 CarbonylContact O-C 3.53Å; A6-A180 WeakPolarHBondContact O-CA 3.4Å; A6-L181 PolarHBondContact O-N 3.27Å
7V98.1Very high87Confident0 Ų041.5 Ų41.50%024%0.238CC..EExtended strand (participates in β ladder)trans-119.8118.8171.2-176.30000108.6F9 L112 V117 L118 T119 A120 L181 L183 L213 T217V7-F9 HydrophobicContact CB-CE2 4.08Å; V7-F9 HydrophobicContact CB-CZ 4.27Å; V7-F9 HydrophobicContact CG1-CD2 4.31Å; V7-F9 HydrophobicContact CG1-CE1 4.05Å; V7-F9 HydrophobicContact CG1-CE2 3.58Å; V7-F9 HydrophobicContact CG1-CZ 3.43Å; V7-F9 VanDerWaalsContact CG1-CZ 3.43Å; V7-L112 HydrophobicContact CB-CD1 4.12Å; V7-L112 HydrophobicContact CG1-CD1 4.43Å; V7-L112 HydrophobicContact CG2-CD1 4Å; V7-V117 HydrophobicContact CG2-CG1 3.96Å; V7-L118 PolarHBondContact N-O 3.44Å; V7-T119 VanDerWaalsContact O-CA 3.28Å; V7-T119 WeakPolarHBondContact O-CA 3.38Å; V7-A120 PolarHBondContact O-N 3.22Å; V7-L181 WeakPolarHBondContact CA-O 3.13Å; V7-L181 HydrophobicContact CG1-CD2 4.33Å; V7-L183 HydrophobicContact CG1-CD1 3.28Å; V7-L213 HydrophobicContact CG1-CD1 4.19Å; V7-L213 HydrophobicContact CG1-CD2 4Å; V7-T217 HydrophobicContact CG2-CG2 3.65Å
8L98.2Very high86.9Confident0 Ų041.3 Ų41.30%024%0.239CC..EExtended strand (participates in β ladder)trans-108.1132-177.1-76.764.3000108.3A6 A120 L122 A169 L173 A180 L181 W182 L183 M198A6-L8 HydrophobicContact CB-CD1 3.71Å; L8-A120 CarbonylContact C-O 2.92Å; L8-A120 WeakPolarHBondContact CA-O 3.43Å; L8-A120 HydrophobicContact CG-CB 4.18Å; L8-L122 HydrophobicContact CB-CD1 3.69Å; L8-L122 HydrophobicContact CD2-CD1 3.66Å; L8-L122 HydrophobicContact CG-CD1 3.8Å; L8-A169 HydrophobicContact CD2-CB 3.95Å; L8-L173 HydrophobicContact CD1-CD1 4.05Å; L8-A180 HydrophobicContact CD1-CB 4.24Å; L8-L181 PolarHBondContact N-O 3.49Å; L8-W182 HydrophobicContact CB-CE3 3.58Å; L8-W182 HydrophobicContact CB-CZ3 4Å; L8-W182 WeakPolarHBondContact O-CA 3.38Å; L8-W182 VanDerWaalsContact O-CE3 3.27Å; L8-L183 WeakPolarHBondContact O-CD1 3.12Å; L8-L183 PolarHBondContact O-N 2.92Å; L8-M198 HydrophobicContact CD2-CE 3.74Å; L8-M198 HydrophobicContact CG-CE 4.49Å
9F98Very high86.9Confident0 Ų044.9 Ų44.90%025%0.248CC..EExtended strand (participates in β ladder)trans-116135.2-177.6-57.2-96.6000110.2V7 V14 V15 V105 L112 T119 A120 V121 L122 F147 L183 L210 L213V7-F9 HydrophobicContact CB-CE2 4.08Å; V7-F9 HydrophobicContact CB-CZ 4.27Å; V7-F9 HydrophobicContact CG1-CD2 4.31Å; V7-F9 HydrophobicContact CG1-CE1 4.05Å; V7-F9 HydrophobicContact CG1-CE2 3.58Å; V7-F9 HydrophobicContact CG1-CZ 3.43Å; V7-F9 VanDerWaalsContact CG1-CZ 3.43Å; F9-V14 HydrophobicContact CB-CG1 4.31Å; F9-V14 HydrophobicContact CD1-CG1 3.88Å; F9-V15 HydrophobicContact CB-CG2 3.8Å; F9-V105 HydrophobicContact CD1-CG1 3.98Å; F9-V105 HydrophobicContact CE1-CG1 4.13Å; F9-V105 HydrophobicContact CG-CG1 4.4Å; F9-L112 HydrophobicContact CZ-CD1 4.34Å; F9-T119 HydrophobicContact CE2-CG2 4.47Å; F9-A120 WeakPolarHBondContact CD2-O 3.28Å; F9-A120 PolarHBondContact N-O 3.16Å; F9-V121 WeakPolarHBondContact O-CA 3.37Å; F9-L122 PolarHBondContact O-N 3.45Å; F9-F147 HydrophobicContact CD2-CD1 4.32Å; F9-F147 AromaticContact CD2-CE1 3.65Å; F9-F147 HydrophobicContact CD2-CE1 3.65Å; F9-F147 AromaticContact CE2-CE1 3.92Å; F9-F147 HydrophobicContact CE2-CE1 3.92Å; F9-F147 HydrophobicContact CG-CE1 4.39Å; F9-L183 HydrophobicContact CD1-CB 4.33Å; F9-L183 HydrophobicContact CD1-CD1 3.98Å; F9-L183 HydrophobicContact CD1-CD2 4.15Å; F9-L183 HydrophobicContact CD1-CG 4.41Å; F9-L183 HydrophobicContact CE1-CD1 3.93Å; F9-L183 HydrophobicContact CE1-CD2 4Å; F9-L183 HydrophobicContact CZ-CD1 4.45Å; F9-L210 HydrophobicContact CE1-CD2 3.8Å; F9-L213 HydrophobicContact CZ-CD1 4.42Å
10N97Very high86.6Confident15 Ų1544.3 Ų44.38%0.0825%0.246CC..EExtended strand (participates in β ladder)trans-65.8139165.3-167.43.9000109.8W12 V14 V15 L122 W182 L183 D184N10-W12 PolarHBondContact ND2-O 3.29Å; N10-W12 PolarHBondContact OD1-N 3.17Å; N10-V14 HydrophobicContact CB-CG2 4.31Å; N10-V14 WeakPolarHBondContact O-CB 3.44Å; N10-V15 WeakPolarHBondContact O-CG2 3.4Å; N10-V15 PolarHBondContact O-N 2.8Å; N10-V15 VanDerWaalsContact O-N 3.11Å; N10-L122 PolarHBondContact OD1-O 2.94Å; N10-W182 HydrophobicContact CB-CH2 3.57Å; N10-W182 HydrophobicContact CB-CZ2 3.72Å; N10-W182 HydrophobicContact CB-CZ3 4.43Å; N10-W182 VanDerWaalsContact N-CH2 3.33Å; N10-W182 VanDerWaalsContact N-CZ3 3.35Å; N10-L183 PolarHBondContact N-O 3.28Å; N10-D184 HydrophobicContact CB-CB 4.25Å; N10-D184 PolarHBondContact ND2-OD1 2.83Å; N10-D184 PolarHBondContact ND2-OD2 3.18Å
11F95.8Very high86.5Confident4 Ų445 Ų452%0.01825%0.252CS..THydrogen-bonded Turntrans-63.9-50.1175.1179.8-107.8000111.1V15 V16 M98 V121 L122 A123 L139 L143F11-V15 HydrophobicContact CD2-CB 4.25Å; F11-V15 HydrophobicContact CD2-CG1 4.23Å; F11-V15 HydrophobicContact CE2-CG1 4.45Å; F11-V15 PolarHBondContact O-N 3.08Å; F11-V16 HydrophobicContact CD2-CG2 4.28Å; F11-V16 HydrophobicContact CE1-CG2 4.02Å; F11-V16 HydrophobicContact CE2-CG2 3.57Å; F11-V16 HydrophobicContact CZ-CB 4.45Å; F11-V16 HydrophobicContact CZ-CG2 3.42Å; F11-V16 VanDerWaalsContact CZ-CG2 3.42Å; F11-V16 PolarHBondContact O-N 3.22Å; F11-M98 HydrophobicContact CE1-CB 4.37Å; F11-M98 HydrophobicContact CE1-CE 4.48Å; F11-M98 HydrophobicContact CE1-CG 4.1Å; F11-M98 HydrophobicContact CZ-CB 4.13Å; F11-M98 HydrophobicContact CZ-CG 4.34Å; F11-V121 HydrophobicContact CB-CG1 3.84Å; F11-V121 HydrophobicContact CD2-CG1 4.04Å; F11-V121 HydrophobicContact CG-CG1 4.42Å; F11-L122 PolarHBondContact N-O 3.42Å; F11-A123 HydrophobicContact CB-CB 3.63Å; F11-A123 HydrophobicContact CD1-CB 4.38Å; F11-A123 HydrophobicContact CD2-CB 4.48Å; F11-A123 HydrophobicContact CG-CB 3.91Å; F11-L139 HydrophobicContact CE2-CD1 4.38Å; F11-L139 HydrophobicContact CE2-CD2 4.18Å; F11-L139 HydrophobicContact CZ-CD2 3.79Å; F11-L143 HydrophobicContact CD2-CD1 4.03Å; F11-L143 HydrophobicContact CE2-CD1 3.83Å
12W92.9Very high88.8Confident14 Ų1435 Ų355%0.05321%0.211CC..BIsolated β-bridgetrans-86.9133.6-177-66115000112.1N10 V14 V16 P20 V94 M98 N124N10-W12 PolarHBondContact ND2-O 3.29Å; N10-W12 PolarHBondContact OD1-N 3.17Å; W12-V14 PolarHBondContact O-N 3.31Å; W12-V16 HydrophobicContact CE3-CB 4.3Å; W12-V16 HydrophobicContact CE3-CG1 4.03Å; W12-V16 HydrophobicContact CZ3-CG1 3.96Å; W12-P20 HydrophobicContact CD2-CG 3.72Å; W12-P20 HydrophobicContact CE3-CG 4.21Å; W12-P20 HydrophobicContact CG-CG 3.92Å; W12-P20 HydrophobicContact CH2-CG 4.47Å; W12-P20 HydrophobicContact CZ2-CG 4.12Å; W12-V94 HydrophobicContact CH2-CG1 3.69Å; W12-V94 HydrophobicContact CZ2-CG1 3.99Å; W12-M98 HydrophobicContact CH2-CB 4.27Å; W12-M98 HydrophobicContact CH2-CG 3.15Å; W12-M98 HydrophobicContact CH2-SD 4.22Å; W12-M98 HydrophobicContact CZ2-CG 3.57Å; W12-M98 HydrophobicContact CZ2-SD 4.18Å; W12-M98 HydrophobicContact CZ3-CG 4.01Å; W12-N124 PolarHBondContact NE1-O 3.3Å
13G91.3Very high90.5Very high10 Ų1030.5 Ų30.510%0.10317%0.173CC..THydrogen-bonded Turntrans77.1-15.9-177.700000115.6V16 S18 V185G13-V16 CarbonylContact C-O 3.59Å; G13-V16 VanDerWaalsContact C-O 3.27Å; G13-V16 WeakPolarHBondContact CA-O 2.94Å; G13-V16 PolarHBondContact N-O 3.34Å; G13-S18 PolarHBondContact N-O 3.45Å; G13-V185 VanDerWaalsContact O-CG1 3.23Å; G13-V185 WeakPolarHBondContact O-CG1 3.47Å
14V95.3Very high91.6Very high0 Ų029.1 Ų29.10%016%0.156CC..THydrogen-bonded Turntrans-117.7-66.2177.1-175.50000111.3F9 N10 W12 V16 Q102 L183 V185 V203 L206F9-V14 HydrophobicContact CB-CG1 4.31Å; F9-V14 HydrophobicContact CD1-CG1 3.88Å; N10-V14 HydrophobicContact CB-CG2 4.31Å; N10-V14 WeakPolarHBondContact O-CB 3.44Å; W12-V14 PolarHBondContact O-N 3.31Å; V14-V16 PolarHBondContact N-O 2.76Å; V14-Q102 PolarHBondContact O-NE2 3.05Å; V14-L183 HydrophobicContact CG1-CB 4.27Å; V14-V185 HydrophobicContact CG2-CG1 3.92Å; V14-V203 HydrophobicContact CG2-CB 4.49Å; V14-V203 HydrophobicContact CG2-CG2 4.22Å; V14-L206 HydrophobicContact CG1-CD1 3.93Å
15V95.8Very high91.6Very high0 Ų024.4 Ų24.40%014%0.136CC..THydrogen-bonded Turntrans-68.4-42.6177.2177.20000111F9 N10 F11 V101 Q102 V105 V121 L143 F147F9-V15 HydrophobicContact CB-CG2 3.8Å; N10-V15 WeakPolarHBondContact O-CG2 3.4Å; N10-V15 PolarHBondContact O-N 2.8Å; N10-V15 VanDerWaalsContact O-N 3.11Å; F11-V15 HydrophobicContact CD2-CB 4.25Å; F11-V15 HydrophobicContact CD2-CG1 4.23Å; F11-V15 HydrophobicContact CE2-CG1 4.45Å; F11-V15 PolarHBondContact O-N 3.08Å; V15-V101 HydrophobicContact CG1-CG1 3.9Å; V15-Q102 WeakPolarHBondContact O-CG 3.21Å; V15-Q102 PolarHBondContact O-N 3.29Å; V15-V105 HydrophobicContact CG2-CG1 4.21Å; V15-V121 HydrophobicContact CG2-CG1 4.01Å; V15-V121 HydrophobicContact CG2-CG2 3.77Å; V15-L143 HydrophobicContact CG1-CD2 3.74Å; V15-F147 HydrophobicContact CG2-CZ 4.37Å
16V93.6Very high91.1Very high0 Ų028.1 Ų28.10%015%0.152CC..BIsolated β-bridgetrans-107.3132.1171172.80000107.7F11 W12 G13 V14 S18 A97 M98 V101F11-V16 HydrophobicContact CD2-CG2 4.28Å; F11-V16 HydrophobicContact CE1-CG2 4.02Å; F11-V16 HydrophobicContact CE2-CG2 3.57Å; F11-V16 HydrophobicContact CZ-CB 4.45Å; F11-V16 HydrophobicContact CZ-CG2 3.42Å; F11-V16 VanDerWaalsContact CZ-CG2 3.42Å; F11-V16 PolarHBondContact O-N 3.22Å; W12-V16 HydrophobicContact CE3-CB 4.3Å; W12-V16 HydrophobicContact CE3-CG1 4.03Å; W12-V16 HydrophobicContact CZ3-CG1 3.96Å; G13-V16 CarbonylContact C-O 3.59Å; G13-V16 VanDerWaalsContact C-O 3.27Å; G13-V16 WeakPolarHBondContact CA-O 2.94Å; G13-V16 PolarHBondContact N-O 3.34Å; V14-V16 PolarHBondContact N-O 2.76Å; V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 3.35Å; V16-A97 WeakPolarHBondContact CG1-O 3.43Å; V16-M98 WeakPolarHBondContact CG2-O 3.38Å; V16-V101 HydrophobicContact CG2-CG2 4.3Å
17P90.7Very high90.4Very high54 Ų5429.3 Ų29.335%0.35116%0.158SC..SBendtrans-71.6-30.4-173.428.4-30.7000111.9D100 Q102P17-D100 WeakPolarHBondContact CD-O 3.39Å; P17-D100 VanDerWaalsContact CG-OD2 3.24Å; P17-D100 WeakPolarHBondContact CG-OD2 3.32Å; P17-Q102 HydrophobicContact CB-CG 4.18Å; P17-Q102 HydrophobicContact CG-CG 4.11Å
18S86.2Confident90Very high37 Ų3729.4 Ų29.426%0.25916%0.158SC..  trans-69.8145.9179.2-69.20000111.6G13 V16G13-S18 PolarHBondContact N-O 3.45Å; V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 3.35Å
19R86.1Confident89.5Confident110 Ų11036.2 Ų36.242%0.41519%0.19SC..  trans-102.7146.1164.3-58.3-173.2-166.9-165.65.2108.9T21 G22 V23 V185R19-T21 PolarHBondContact O-N 2.76Å; R19-T21 VanDerWaalsContact O-N 3.16Å; R19-G22 WeakPolarHBondContact O-CA 3.41Å; R19-G22 PolarHBondContact O-N 3.14Å; R19-V23 PolarHBondContact O-N 2.64Å; R19-V185 VanDerWaalsContact NH2-CB 3.26Å; R19-V185 PolarHBondContact NH2-O 3.22Å
20P82.5Confident88.9Confident32 Ų3242.2 Ų42.221%0.20822%0.222CC..Hα-helixtrans-52.4-38.5172.9-28.335.5000112.5W12 G22 V23 F24W12-P20 HydrophobicContact CD2-CG 3.72Å; W12-P20 HydrophobicContact CE3-CG 4.21Å; W12-P20 HydrophobicContact CG-CG 3.92Å; W12-P20 HydrophobicContact CH2-CG 4.47Å; W12-P20 HydrophobicContact CZ2-CG 4.12Å; P20-G22 VanDerWaalsContact C-N 3.29Å; P20-G22 PolarHBondContact O-N 3.46Å; P20-V23 WeakPolarHBondContact O-CB 3.12Å; P20-V23 PolarHBondContact O-N 3.33Å; P20-V23 VanDerWaalsContact O-N 3.12Å; P20-F24 HydrophobicContact CB-CE2 4.31Å; P20-F24 HydrophobicContact CB-CZ 4.17Å; P20-F24 WeakPolarHBondContact O-CD1 3.06Å; P20-F24 WeakPolarHBondContact O-CG 3.5Å; P20-F24 PolarHBondContact O-N 3.01Å
21T84.6Confident88.3Confident60 Ų6043.2 Ų43.237%0.36823%0.226SC..Hα-helixtrans-61.5-32.3175.552.80000113.7R19 F24 H25R19-T21 PolarHBondContact O-N 2.76Å; R19-T21 VanDerWaalsContact O-N 3.16Å; T21-F24 PolarHBondContact O-N 3.06Å; T21-H25 PolarHBondContact O-N 2.93Å; T21-H25 PolarHBondContact O-ND1 2.85Å
22G83.3Confident88Confident32 Ų3248.4 Ų48.433%0.3326%0.263SS..Hα-helixtrans-67.9-39174.200000112.4R19 P20 K26R19-G22 WeakPolarHBondContact O-CA 3.41Å; R19-G22 PolarHBondContact O-N 3.14Å; P20-G22 VanDerWaalsContact C-N 3.29Å; P20-G22 PolarHBondContact O-N 3.46Å; G22-K26 WeakPolarHBondContact O-CG 3.41Å; G22-K26 PolarHBondContact O-N 2.9Å
23V83.3Confident87.8Confident13 Ų1348.5 Ų48.58%0.07926%0.264CS..Hα-helixtrans-66.6-42173.3-1760000110.3R19 P20 H25 K26 L27 L90 E93 V94 A97R19-V23 PolarHBondContact O-N 2.64Å; P20-V23 WeakPolarHBondContact O-CB 3.12Å; P20-V23 PolarHBondContact O-N 3.33Å; P20-V23 VanDerWaalsContact O-N 3.12Å; V23-H25 PolarHBondContact O-N 3.06Å; V23-K26 PolarHBondContact O-N 3.13Å; V23-L27 HydrophobicContact CG1-CD1 4.36Å; V23-L27 PolarHBondContact O-N 3.27Å; V23-L90 HydrophobicContact CG1-CD1 4.18Å; V23-E93 HydrophobicContact CG1-CB 3.95Å; V23-V94 HydrophobicContact CB-CG2 4.22Å; V23-V94 HydrophobicContact CG1-CG2 3.83Å; V23-A97 HydrophobicContact CG2-CB 4.09Å
24F89.6Confident87.8Confident10 Ų1050.6 Ų50.64%0.04428%0.276CS..Hα-helixtrans-59.4-47.1175.8-62.8-14.2000112.2P20 T21 K26 L27 E28 L38 A42 L49 L90 V94P20-F24 HydrophobicContact CB-CE2 4.31Å; P20-F24 HydrophobicContact CB-CZ 4.17Å; P20-F24 WeakPolarHBondContact O-CD1 3.06Å; P20-F24 WeakPolarHBondContact O-CG 3.5Å; P20-F24 PolarHBondContact O-N 3.01Å; T21-F24 PolarHBondContact O-N 3.06Å; F24-K26 VanDerWaalsContact C-N 3.34Å; F24-K26 PolarHBondContact O-N 2.98Å; F24-L27 PolarHBondContact O-N 3.12Å; F24-E28 WeakPolarHBondContact O-CG 3.38Å; F24-E28 PolarHBondContact O-N 2.96Å; F24-L38 HydrophobicContact CB-CB 3.83Å; F24-L38 HydrophobicContact CB-CD1 4.04Å; F24-L38 HydrophobicContact CD1-CD1 4.35Å; F24-L38 HydrophobicContact CD2-CB 4.26Å; F24-L38 HydrophobicContact CG-CB 3.98Å; F24-L38 HydrophobicContact CG-CD1 4.37Å; F24-A42 HydrophobicContact CE2-CB 3.67Å; F24-A42 HydrophobicContact CZ-CB 4.22Å; F24-L49 HydrophobicContact CZ-CD2 4.32Å; F24-L90 HydrophobicContact CD1-CD1 3.57Å; F24-L90 HydrophobicContact CD1-CD2 4.21Å; F24-L90 HydrophobicContact CD1-CG 4.47Å; F24-L90 HydrophobicContact CE1-CD1 3.78Å; F24-L90 HydrophobicContact CE1-CD2 4.1Å; F24-L90 HydrophobicContact CE1-CG 4.36Å; F24-V94 HydrophobicContact CE1-CG2 4.3Å
25H88.1Confident87.6Confident49 Ų4960 Ų6023%0.22731%0.311CS..Hα-helixtrans-60.5-41.4178.7-68.9162.6000112.6T21 V23 L27 E28 E29T21-H25 PolarHBondContact O-N 2.93Å; T21-H25 PolarHBondContact O-ND1 2.85Å; V23-H25 PolarHBondContact O-N 3.06Å; H25-L27 VanDerWaalsContact C-N 3.27Å; H25-L27 PolarHBondContact O-N 3.36Å; H25-E28 IonicContact CD2-OE2 2.99Å; H25-E28 PolarHBondContact CD2-OE2 3.33Å; H25-E28 VanDerWaalsContact CD2-OE2 3.32Å; H25-E28 PolarHBondContact O-N 3.36Å; H25-E29 WeakPolarHBondContact O-CG 3.48Å; H25-E29 PolarHBondContact O-N 3.45Å
26K84.7Confident87.4Confident151 Ų15160.5 Ų60.566%0.65732%0.317SS*.Hα-helixtrans-59.3-40.1176.8-73.2177.5-179.9179.40112G22 V23 F24 L30G22-K26 WeakPolarHBondContact O-CG 3.41Å; G22-K26 PolarHBondContact O-N 2.9Å; V23-K26 PolarHBondContact O-N 3.13Å; F24-K26 VanDerWaalsContact C-N 3.34Å; F24-K26 PolarHBondContact O-N 2.98Å; K26-L30 WeakPolarHBondContact O-CB 3.35Å; K26-L30 PolarHBondContact O-N 3.1Å
27L82.6Confident87.3Confident24 Ų2460.5 Ų60.513%0.12632%0.317CS..Hα-helixtrans-75.1-36.6178.3-81.6157.8000112.8V23 F24 H25 E29 L30 H31 L38 L90V23-L27 HydrophobicContact CG1-CD1 4.36Å; V23-L27 PolarHBondContact O-N 3.27Å; F24-L27 PolarHBondContact O-N 3.12Å; H25-L27 VanDerWaalsContact C-N 3.27Å; H25-L27 PolarHBondContact O-N 3.36Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-L30 HydrophobicContact CD2-CD2 4.22Å; L27-L30 PolarHBondContact O-N 2.97Å; L27-H31 WeakPolarHBondContact O-CB 3.37Å; L27-H31 PolarHBondContact O-CD2 2.94Å; L27-H31 VanDerWaalsContact O-CD2 3.23Å; L27-H31 PolarHBondContact O-N 3.37Å; L27-L38 HydrophobicContact CB-CD1 4.31Å; L27-L90 HydrophobicContact CD1-CB 3.75Å; L27-L90 HydrophobicContact CD1-CD1 3.12Å; L27-L90 HydrophobicContact CD1-CG 3.97Å
28E89.9Confident87.4Confident2 Ų258 Ų581%0.00930%0.301CS..Hα-helixtrans-59.1-45.4171.4-71.2166.7174.100111F24 H25 H31 S32 L33 R35 G36 F37 L38F24-E28 WeakPolarHBondContact O-CG 3.38Å; F24-E28 PolarHBondContact O-N 2.96Å; H25-E28 IonicContact CD2-OE2 2.99Å; H25-E28 PolarHBondContact CD2-OE2 3.33Å; H25-E28 VanDerWaalsContact CD2-OE2 3.32Å; H25-E28 PolarHBondContact O-N 3.36Å; E28-H31 CarbonylContact O-C 3.06Å; E28-H31 PolarHBondContact O-N 3.28Å; E28-S32 CarbonylContact O-C 3.59Å; E28-S32 PolarHBondContact O-N 2.99Å; E28-L33 HydrophobicContact CB-CB 4.16Å; E28-L33 HydrophobicContact CG-CB 4.26Å; E28-L33 PolarHBondContact O-N 3.42Å; E28-R35 WeakPolarHBondContact OE2-CA 3.41Å; E28-G36 VanDerWaalsContact CD-N 3.35Å; E28-G36 VanDerWaalsContact OE1-C 3.27Å; E28-G36 WeakPolarHBondContact OE1-CA 3.48Å; E28-G36 PolarHBondContact OE1-N 3.13Å; E28-G36 PolarHBondContact OE2-N 2.91Å; E28-F37 PolarHBondContact OE1-N 3.23Å; E28-L38 HydrophobicContact CG-CB 4.36Å; E28-L38 HydrophobicContact CG-CD1 4.12Å; E28-L38 HydrophobicContact CG-CG 4.16Å; E28-L38 WeakPolarHBondContact OE1-CB 3.4Å; E28-L38 PolarHBondContact OE1-N 3.34Å
29E87.6Confident87.6Confident143 Ų14357.4 Ų57.467%0.66830%0.297SS*.Hα-helixtrans-61.9-46.8175.6-74.2175.3-176.200111.9H25 L27 H31 S32H25-E29 WeakPolarHBondContact O-CG 3.48Å; H25-E29 PolarHBondContact O-N 3.45Å; L27-E29 VanDerWaalsContact C-N 3.32Å; E29-H31 PolarHBondContact O-N 2.91Å; E29-S32 PolarHBondContact O-N 3.23Å
30L85.7Confident87.9Confident127 Ų12755.8 Ų55.867%0.66530%0.296SS*.Hα-helixtrans-57.2-39.2178.4-176.566.5000112.2K26 L27K26-L30 WeakPolarHBondContact O-CB 3.35Å; K26-L30 PolarHBondContact O-N 3.1Å; L27-L30 HydrophobicContact CD2-CD2 4.22Å; L27-L30 PolarHBondContact O-N 2.97Å
31H85.7Confident88.4Confident36 Ų3654.3 Ų54.317%0.16729%0.286CS..THydrogen-bonded Turntrans-99.610.1-176.2-68.7-62.3000113.8L27 E28 E29 L33 P82 D84L27-H31 WeakPolarHBondContact O-CB 3.37Å; L27-H31 PolarHBondContact O-CD2 2.94Å; L27-H31 VanDerWaalsContact O-CD2 3.23Å; L27-H31 PolarHBondContact O-N 3.37Å; E28-H31 CarbonylContact O-C 3.06Å; E28-H31 PolarHBondContact O-N 3.28Å; E29-H31 PolarHBondContact O-N 2.91Å; H31-L33 HydrophobicContact CB-CD1 4.3Å; H31-L33 HydrophobicContact CB-CG 4.14Å; H31-L33 PolarHBondContact O-N 3.04Å; H31-P82 HydrophobicContact CB-CG 3.65Å; H31-P82 WeakPolarHBondContact ND1-CG 3.21Å; H31-D84 IonicContact CE1-OD1 2.71Å; H31-D84 IonicContact CE1-OD2 3.37Å
32S87.7Confident88.7Confident113 Ų11351.9 Ų51.979%0.7927%0.273SS*.THydrogen-bonded Turntrans53.434-178.1-58.20000114E28 E29E28-S32 CarbonylContact O-C 3.59Å; E28-S32 PolarHBondContact O-N 2.99Å; E29-S32 PolarHBondContact O-N 3.23Å
33L88.9Confident89Confident15 Ų1554.1 Ų54.18%0.07928%0.283CS..PPolyproline II helixtrans-84.6152.3174.5-63.2175.1000110.8E28 H31 R35 F37 L81 W85E28-L33 HydrophobicContact CB-CB 4.16Å; E28-L33 HydrophobicContact CG-CB 4.26Å; E28-L33 PolarHBondContact O-N 3.42Å; H31-L33 HydrophobicContact CB-CD1 4.3Å; H31-L33 HydrophobicContact CB-CG 4.14Å; H31-L33 PolarHBondContact O-N 3.04Å; L33-R35 PolarHBondContact O-N 3.22Å; L33-F37 HydrophobicContact CD1-CD1 3.91Å; L33-F37 HydrophobicContact CD1-CE1 4.19Å; L33-L81 HydrophobicContact CD1-CD2 4.28Å; L33-L81 HydrophobicContact CD2-CD2 4.02Å; L33-W85 HydrophobicContact CD1-CE3 4.28Å; L33-W85 HydrophobicContact CD1-CH2 3.69Å; L33-W85 HydrophobicContact CD1-CZ3 3.4Å
34P91.6Very high89.3Confident54 Ų5456.6 Ų56.635%0.35129%0.294SS..PPolyproline II helixtrans-59.4136.6175.1-23.734.8000111.5G36 F37 L79P34-G36 PolarHBondContact O-N 3.44Å; P34-F37 WeakPolarHBondContact O-CB 3.28Å; P34-F37 PolarHBondContact O-N 3.45Å; P34-L79 HydrophobicContact CG-CD1 3.75Å; P34-L79 HydrophobicContact CG-CD2 3.85Å; P34-L79 HydrophobicContact CG-CG 4.47Å
35R91.4Very high89.1Confident197 Ų19761.4 Ų61.474%0.74332%0.32SS*.THydrogen-bonded Turntrans-55131178-170175.8-177.5177.72111.4E28 L33 F37E28-R35 WeakPolarHBondContact OE2-CA 3.41Å; L33-R35 PolarHBondContact O-N 3.22Å; R35-F37 VanDerWaalsContact C-N 3.31Å
36G90.9Very high89.2Confident12 Ų1268.1 Ų68.112%0.12435%0.349CS..THydrogen-bonded Turntrans78.68.5-177.800000114.4E28 P34 N40E28-G36 VanDerWaalsContact CD-N 3.35Å; E28-G36 VanDerWaalsContact OE1-C 3.27Å; E28-G36 WeakPolarHBondContact OE1-CA 3.48Å; E28-G36 PolarHBondContact OE1-N 3.13Å; E28-G36 PolarHBondContact OE2-N 2.91Å; P34-G36 PolarHBondContact O-N 3.44Å; G36-N40 WeakPolarHBondContact O-CB 3.47Å; G36-N40 PolarHBondContact O-N 3Å; G36-N40 PolarHBondContact O-ND2 3.39Å
37F93.1Very high89.7Confident0 Ų061.1 Ų61.10%032%0.319CS..Hα-helixtrans-54.4-58.3171.9171.8-99000111.7E28 L33 P34 R35 S39 N40 V41 C70 Q73 A74 L79 L81E28-F37 PolarHBondContact OE1-N 3.23Å; L33-F37 HydrophobicContact CD1-CD1 3.91Å; L33-F37 HydrophobicContact CD1-CE1 4.19Å; P34-F37 WeakPolarHBondContact O-CB 3.28Å; P34-F37 PolarHBondContact O-N 3.45Å; R35-F37 VanDerWaalsContact C-N 3.31Å; F37-S39 PolarHBondContact O-N 2.86Å; F37-N40 WeakPolarHBondContact O-CB 3.43Å; F37-N40 PolarHBondContact O-N 3.28Å; F37-V41 HydrophobicContact CE1-CG2 4.45Å; F37-V41 HydrophobicContact CZ-CG2 4.37Å; F37-V41 WeakPolarHBondContact O-CG2 3.27Å; F37-V41 PolarHBondContact O-N 3.5Å; F37-V41 VanDerWaalsContact O-N 3.16Å; F37-C70 HydrophobicContact CE1-CB 4.4Å; F37-C70 WeakPolarHBondContact CZ-O 3.4Å; F37-Q73 HydrophobicContact CE2-CB 3.97Å; F37-Q73 HydrophobicContact CZ-CB 4.25Å; F37-A74 HydrophobicContact CE2-CB 4.34Å; F37-A74 HydrophobicContact CZ-CB 4.1Å; F37-L79 HydrophobicContact CD2-CD1 4.01Å; F37-L79 HydrophobicContact CE2-CD1 4.15Å; F37-L81 HydrophobicContact CE1-CD2 4.27Å; F37-L81 HydrophobicContact CZ-CD2 4.34Å
38L91.5Very high90.3Very high1 Ų160 Ų601%0.00531%0.313CS..Hα-helixtrans-63-42.9179.3-78.4177.3000111.4F24 L27 E28 N40 V41 A42 F66 W85 L90F24-L38 HydrophobicContact CB-CB 3.83Å; F24-L38 HydrophobicContact CB-CD1 4.04Å; F24-L38 HydrophobicContact CD1-CD1 4.35Å; F24-L38 HydrophobicContact CD2-CB 4.26Å; F24-L38 HydrophobicContact CG-CB 3.98Å; F24-L38 HydrophobicContact CG-CD1 4.37Å; L27-L38 HydrophobicContact CB-CD1 4.31Å; E28-L38 HydrophobicContact CG-CB 4.36Å; E28-L38 HydrophobicContact CG-CD1 4.12Å; E28-L38 HydrophobicContact CG-CG 4.16Å; E28-L38 WeakPolarHBondContact OE1-CB 3.4Å; E28-L38 PolarHBondContact OE1-N 3.34Å; L38-N40 PolarHBondContact O-N 3.15Å; L38-V41 PolarHBondContact O-N 3.43Å; L38-V41 VanDerWaalsContact O-N 3.08Å; L38-A42 VanDerWaalsContact O-CB 3.23Å; L38-A42 WeakPolarHBondContact O-CB 3.34Å; L38-A42 PolarHBondContact O-N 2.93Å; L38-F66 HydrophobicContact CD2-CZ 4.44Å; L38-W85 HydrophobicContact CD1-CH2 4.3Å; L38-W85 HydrophobicContact CD2-CH2 3.67Å; L38-W85 HydrophobicContact CD2-CZ2 3.91Å; L38-W85 HydrophobicContact CG-CH2 4.2Å; L38-L90 HydrophobicContact CD1-CD2 4.09Å; L38-L90 HydrophobicContact CD2-CD2 4.25Å
39S90.8Very high90.4Very high25 Ų2560.7 Ų60.718%0.17532%0.317CS..Hα-helixtrans-58.5-36.7176.6-62.10000112.3F37 S43F37-S39 PolarHBondContact O-N 2.86Å; S39-S43 WeakPolarHBondContact O-CB 3.22Å; S39-S43 PolarHBondContact O-N 3.17Å; S39-S43 VanDerWaalsContact O-N 3.12Å; S39-S43 PolarHBondContact O-OG 2.95Å; S39-S43 VanDerWaalsContact O-OG 3.06Å
40N91.7Very high90.7Very high75 Ų7554.1 Ų54.140%0.40129%0.286SS..Hα-helixtrans-71.7-33.7175.5-75.9-42.9000113.1G36 F37 L38 S43 R77G36-N40 WeakPolarHBondContact O-CB 3.47Å; G36-N40 PolarHBondContact O-N 3Å; G36-N40 PolarHBondContact O-ND2 3.39Å; F37-N40 WeakPolarHBondContact O-CB 3.43Å; F37-N40 PolarHBondContact O-N 3.28Å; L38-N40 PolarHBondContact O-N 3.15Å; N40-S43 PolarHBondContact O-OG 3.18Å; N40-R77 PolarHBondContact ND2-NH2 3.26Å
41V92.9Very high91.2Very high1 Ų149.7 Ų49.71%0.00626%0.262CS..Hα-helixtrans-71.3-47.3174.5-168.70000109.8F37 L38 S43 Q44 F66 E69 Q73F37-V41 HydrophobicContact CE1-CG2 4.45Å; F37-V41 HydrophobicContact CZ-CG2 4.37Å; F37-V41 WeakPolarHBondContact O-CG2 3.27Å; F37-V41 PolarHBondContact O-N 3.5Å; F37-V41 VanDerWaalsContact O-N 3.16Å; L38-V41 PolarHBondContact O-N 3.43Å; L38-V41 VanDerWaalsContact O-N 3.08Å; V41-S43 VanDerWaalsContact C-N 3.28Å; V41-S43 PolarHBondContact O-N 2.74Å; V41-Q44 WeakPolarHBondContact O-CB 3.25Å; V41-Q44 WeakPolarHBondContact O-CG 3.3Å; V41-Q44 PolarHBondContact O-N 3.38Å; V41-F66 HydrophobicContact CB-CE2 3.94Å; V41-F66 HydrophobicContact CG1-CD2 4.07Å; V41-F66 HydrophobicContact CG1-CE2 3.61Å; V41-E69 HydrophobicContact CG1-CB 3.64Å; V41-Q73 HydrophobicContact CG2-CB 3.93Å; V41-Q73 HydrophobicContact CG2-CG 3.91Å
42A90.6Very high91.7Very high10 Ų1048 Ų488%0.08325%0.254CS..Hα-helixtrans-61.8-30.1-177.900000113.9F24 L38 Q44 L49 F66F24-A42 HydrophobicContact CE2-CB 3.67Å; F24-A42 HydrophobicContact CZ-CB 4.22Å; L38-A42 VanDerWaalsContact O-CB 3.23Å; L38-A42 WeakPolarHBondContact O-CB 3.34Å; L38-A42 PolarHBondContact O-N 2.93Å; A42-Q44 VanDerWaalsContact C-N 3.33Å; A42-L49 HydrophobicContact CB-CD2 3.64Å; A42-F66 HydrophobicContact CB-CE2 4.35Å; A42-F66 HydrophobicContact CB-CZ 4.14Å
43S89.8Confident92Very high78 Ų7843.2 Ų43.255%0.54522%0.219SC..THydrogen-bonded Turntrans-84.1-1.5-178.364.10000114.6S39 N40 V41 N45S39-S43 WeakPolarHBondContact O-CB 3.22Å; S39-S43 PolarHBondContact O-N 3.17Å; S39-S43 VanDerWaalsContact O-N 3.12Å; S39-S43 PolarHBondContact O-OG 2.95Å; S39-S43 VanDerWaalsContact O-OG 3.06Å; N40-S43 PolarHBondContact O-OG 3.18Å; V41-S43 VanDerWaalsContact C-N 3.28Å; V41-S43 PolarHBondContact O-N 2.74Å; S43-N45 PolarHBondContact O-N 2.8Å
44Q91.1Very high92.3Very high65 Ų6544 Ų4430%0.30422%0.223SC..  trans-65.3119.4178.6-67.2178.621.300110.5V41 A42 K46 G47V41-Q44 WeakPolarHBondContact O-CB 3.25Å; V41-Q44 WeakPolarHBondContact O-CG 3.3Å; V41-Q44 PolarHBondContact O-N 3.38Å; A42-Q44 VanDerWaalsContact C-N 3.33Å; Q44-K46 PolarHBondContact O-N 3.1Å; Q44-G47 WeakPolarHBondContact O-CA 3.38Å; Q44-G47 PolarHBondContact O-N 3.33Å
45N85.3Confident92.5Very high112 Ų11242.7 Ų42.760%0.59922%0.219SC*.THydrogen-bonded Turntrans-57.7-29.4-174.5-168.121.7000114.1S43 Q51S43-N45 PolarHBondContact O-N 2.8Å; N45-Q51 PolarHBondContact O-NE2 3.06Å
46K90.4Very high92.7Very high190 Ų19040 Ų4083%0.82621%0.212SC*.THydrogen-bonded Turntrans-99.84.1173.8-68-173.5176.8-178.10113.5Q44Q44-K46 PolarHBondContact O-N 3.1Å
47G94Very high93Very high3 Ų341.2 Ų41.23%0.03122%0.215CC..SBendtrans-73.6159.3-178.900000112.6Q44 L49 I50 Q51 E69Q44-G47 WeakPolarHBondContact O-CA 3.38Å; Q44-G47 PolarHBondContact O-N 3.33Å; G47-L49 PolarHBondContact O-N 2.82Å; G47-I50 PolarHBondContact O-N 3.28Å; G47-Q51 WeakPolarHBondContact O-CG 3.36Å; G47-Q51 PolarHBondContact O-N 3.48Å; G47-Q51 VanDerWaalsContact O-N 3.11Å; G47-E69 VanDerWaalsContact CA-OE1 3.28Å; G47-E69 WeakPolarHBondContact CA-OE1 3.23Å
48A95.4Very high93Very high1 Ų142.7 Ų42.71%0.00822%0.224CC..Hα-helixtrans-55.9-47.2-172.500000112.5I50 Q51 A52 M57 M62 A65 F66 E69A48-I50 PolarHBondContact O-N 2.99Å; A48-Q51 PolarHBondContact O-N 2.79Å; A48-A52 WeakPolarHBondContact O-CB 3.38Å; A48-A52 PolarHBondContact O-N 3.33Å; A48-M57 HydrophobicContact CB-CE 4.46Å; A48-M57 HydrophobicContact CB-SD 3.96Å; A48-M62 HydrophobicContact CB-CG 4.14Å; A48-A65 HydrophobicContact CB-CB 3.68Å; A48-F66 HydrophobicContact CB-CB 3.95Å; A48-E69 VanDerWaalsContact N-CD 3.33Å; A48-E69 PolarHBondContact N-OE1 3.18Å; A48-E69 PolarHBondContact N-OE2 3.12Å
49L92.8Very high93Very high16 Ų1642.6 Ų42.68%0.08422%0.224CC..Hα-helixtrans-58.2-49.2-178.6-174.868.2000112.4F24 A42 G47 Q51 A52 E53 M62 W126F24-L49 HydrophobicContact CZ-CD2 4.32Å; A42-L49 HydrophobicContact CB-CD2 3.64Å; G47-L49 PolarHBondContact O-N 2.82Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; L49-Q51 PolarHBondContact O-N 3.2Å; L49-A52 WeakPolarHBondContact O-CB 3.39Å; L49-A52 PolarHBondContact O-N 3.37Å; L49-E53 WeakPolarHBondContact O-CG 3.3Å; L49-E53 PolarHBondContact O-N 3.37Å; L49-M62 HydrophobicContact CD1-CE 4.16Å; L49-M62 HydrophobicContact CD1-SD 3.68Å; L49-W126 HydrophobicContact CD1-CE3 4.3Å; L49-W126 HydrophobicContact CD1-CZ3 4.23Å
50I94.3Very high93.1Very high6 Ų645.2 Ų45.23%0.03124%0.236CC..Hα-helixtrans-66.3-36.1179.8-71.3-176.7000111.5G47 A48 A52 K54G47-I50 PolarHBondContact O-N 3.28Å; A48-I50 PolarHBondContact O-N 2.99Å; I50-A52 VanDerWaalsContact C-N 3.34Å; I50-K54 HydrophobicContact CG2-CD 4.36Å; I50-K54 WeakPolarHBondContact O-CG 3.19Å; I50-K54 PolarHBondContact O-N 2.91Å; I50-K54 VanDerWaalsContact O-N 3.1Å
51Q96.1Very high93.2Very high33 Ų3347 Ų4715%0.15424%0.241CC..Hα-helixtrans-67.9-35.9175.2-64.9-45.9-78.800111.8N45 G47 A48 L49 K54 G55 K56 M57N45-Q51 PolarHBondContact O-NE2 3.06Å; G47-Q51 WeakPolarHBondContact O-CG 3.36Å; G47-Q51 PolarHBondContact O-N 3.48Å; G47-Q51 VanDerWaalsContact O-N 3.11Å; A48-Q51 PolarHBondContact O-N 2.79Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; L49-Q51 PolarHBondContact O-N 3.2Å; Q51-K54 CarbonylContact O-C 3.55Å; Q51-K54 PolarHBondContact O-N 3.32Å; Q51-G55 PolarHBondContact O-N 3.1Å; Q51-K56 HydrophobicContact CB-CB 4.32Å; Q51-K56 WeakPolarHBondContact O-CB 3.03Å; Q51-K56 PolarHBondContact O-N 2.86Å; Q51-M57 HydrophobicContact CB-CE 3.56Å; Q51-M57 HydrophobicContact CB-CG 4.31Å; Q51-M57 HydrophobicContact CB-SD 4.18Å; Q51-M57 HydrophobicContact CG-CE 4.26Å
52A95Very high93.3Very high0 Ų046.9 Ų46.90%024%0.241CC..Hα-helixtrans-68-43.6174.900000112A48 L49 I50 K54 G55 M57 M62 W126A48-A52 WeakPolarHBondContact O-CB 3.38Å; A48-A52 PolarHBondContact O-N 3.33Å; L49-A52 WeakPolarHBondContact O-CB 3.39Å; L49-A52 PolarHBondContact O-N 3.37Å; I50-A52 VanDerWaalsContact C-N 3.34Å; A52-K54 PolarHBondContact O-N 2.9Å; A52-G55 PolarHBondContact O-N 3.29Å; A52-M57 VanDerWaalsContact CA-CG 3.41Å; A52-M57 HydrophobicContact CB-CG 3.52Å; A52-M57 HydrophobicContact CB-SD 4.1Å; A52-M62 HydrophobicContact CB-CB 3.96Å; A52-M62 HydrophobicContact CB-CG 3.76Å; A52-M62 HydrophobicContact CB-SD 3.23Å; A52-M62 WeakPolarHBondContact CB-SD 3.32Å; A52-W126 HydrophobicContact CB-CB 3.98Å
53E94.5Very high93.5Very high13 Ų1347.8 Ų47.86%0.06124%0.244CC..Hα-helixtrans-58.2-28.9172.8-75.1-178.8170.200111.8L49 G55 N124 H125 S153 C154 R159L49-E53 WeakPolarHBondContact O-CG 3.3Å; L49-E53 PolarHBondContact O-N 3.37Å; E53-G55 VanDerWaalsContact C-N 3.33Å; E53-N124 HydrophobicContact CG-CB 4.43Å; E53-H125 WeakPolarHBondContact CA-O 3.31Å; E53-S153 CarbonylContact O-C 3.53Å; E53-S153 WeakPolarHBondContact O-CB 3.46Å; E53-S153 PolarHBondContact O-OG 2.57Å; E53-C154 VanDerWaalsContact O-CA 3.25Å; E53-C154 WeakPolarHBondContact O-CA 3.26Å; E53-C154 PolarHBondContact O-N 2.97Å; E53-R159 IonicContact OE2-CZ 2.64Å; E53-R159 IonicContact OE2-NE 3.34Å; E53-R159 PolarHBondContact OE2-NE 3.42Å; E53-R159 IonicContact OE2-NH2 3.22Å; E53-R159 PolarHBondContact OE2-NH2 3.24Å
54K95.6Very high93.7Very high33 Ų3347.8 Ų47.814%0.14324%0.242CC..THydrogen-bonded Turntrans-90.27.9175.2-68.5-177.6177.5-172.70113.9I50 Q51 A52 K56 E162I50-K54 HydrophobicContact CG2-CD 4.36Å; I50-K54 WeakPolarHBondContact O-CG 3.19Å; I50-K54 PolarHBondContact O-N 2.91Å; I50-K54 VanDerWaalsContact O-N 3.1Å; Q51-K54 CarbonylContact O-C 3.55Å; Q51-K54 PolarHBondContact O-N 3.32Å; A52-K54 PolarHBondContact O-N 2.9Å; K54-K56 VanDerWaalsContact C-N 3.26Å; K54-K56 HydrophobicContact CB-CG 4.46Å; K54-K56 PolarHBondContact O-N 3.19Å; K54-E162 WeakPolarHBondContact CE-OE1 3.24Å; K54-E162 IonicContact NZ-OE1 3.89Å; K54-E162 PolarHBondContact NZ-OE1 3.02Å; K54-E162 IonicContact NZ-OE2 2.64Å
55G95.6Very high93.9Very high26 Ų2646.4 Ų46.427%0.26824%0.242SC..THydrogen-bonded Turntrans72.914.5177.200000114.9Q51 A52 E53 C154Q51-G55 PolarHBondContact O-N 3.1Å; A52-G55 PolarHBondContact O-N 3.29Å; E53-G55 VanDerWaalsContact C-N 3.33Å; G55-C154 VanDerWaalsContact CA-O 3.28Å; G55-C154 WeakPolarHBondContact CA-O 3.4Å
56K96.5Very high94.4Very high141 Ų14141.1 Ų41.161%0.61321%0.214SC*.SBendtrans-86.4-11.4-180-63.6174.2176.5-173.60113.4Q51 K54Q51-K56 HydrophobicContact CB-CB 4.32Å; Q51-K56 WeakPolarHBondContact O-CB 3.03Å; Q51-K56 PolarHBondContact O-N 2.86Å; K54-K56 VanDerWaalsContact C-N 3.26Å; K54-K56 HydrophobicContact CB-CG 4.46Å; K54-K56 PolarHBondContact O-N 3.19Å
57M95.2Very high94.6Very high37 Ų3735.4 Ų35.418%0.18219%0.19CC..SBendtrans-147.1151172.860.9-179.858.700109.7A48 Q51 A52 Q61 M62A48-M57 HydrophobicContact CB-CE 4.46Å; A48-M57 HydrophobicContact CB-SD 3.96Å; Q51-M57 HydrophobicContact CB-CE 3.56Å; Q51-M57 HydrophobicContact CB-CG 4.31Å; Q51-M57 HydrophobicContact CB-SD 4.18Å; Q51-M57 HydrophobicContact CG-CE 4.26Å; A52-M57 VanDerWaalsContact CA-CG 3.41Å; A52-M57 HydrophobicContact CB-CG 3.52Å; A52-M57 HydrophobicContact CB-SD 4.1Å; M57-Q61 VanDerWaalsContact CA-OE1 3.28Å; M57-Q61 HydrophobicContact CB-CB 4.03Å; M57-M62 HydrophobicContact CG-CB 4.26Å; M57-M62 HydrophobicContact SD-CB 3.82Å; M57-M62 HydrophobicContact SD-CG 4.06Å
58T94.1Very high94.6Very high30 Ų3038.1 Ų38.118%0.18421%0.212CC..BIsolated β-bridgetrans-84.3170.5173.469.70000111.4N60 Q61 M62 L127 D129T58-N60 PolarHBondContact O-N 3.41Å; T58-Q61 PolarHBondContact O-N 3.2Å; T58-Q61 VanDerWaalsContact O-N 3.17Å; T58-M62 WeakPolarHBondContact O-CB 3.39Å; T58-M62 PolarHBondContact O-N 3.29Å; T58-L127 HydrophobicContact CG2-CB 4.48Å; T58-D129 VanDerWaalsContact CB-OD1 3.31Å; T58-D129 WeakPolarHBondContact CB-OD1 3.47Å; T58-D129 WeakPolarHBondContact CB-OD2 3.39Å; T58-D129 HydrophobicContact CG2-CB 4.45Å; T58-D129 PolarHBondContact OG1-OD1 3.44Å; T58-D129 PolarHBondContact OG1-OD2 3.21Å
59L91.5Very high94.6Very high0 Ų040 Ų400%022%0.221CC..Hα-helixtrans-57.7-45.3177.8-178.556.7000112.5Q61 M62 I63 L91 L127 D128 D129L59-Q61 PolarHBondContact O-N 3.26Å; L59-M62 HydrophobicContact CD1-CE 3.57Å; L59-M62 PolarHBondContact O-N 3.08Å; L59-I63 HydrophobicContact CD1-CD1 4.12Å; L59-I63 HydrophobicContact CD1-CG1 4.18Å; L59-I63 HydrophobicContact CG-CD1 4.08Å; L59-I63 WeakPolarHBondContact O-CG1 3.13Å; L59-I63 PolarHBondContact O-N 3.11Å; L59-L91 HydrophobicContact CD1-CD1 3.54Å; L59-L127 WeakPolarHBondContact CB-O 3.4Å; L59-L127 PolarHBondContact N-O 2.92Å; L59-D128 HydrophobicContact CD2-CB 4.2Å; L59-D128 VanDerWaalsContact CD2-OD1 3.24Å; L59-D128 WeakPolarHBondContact CD2-OD1 3.43Å; L59-D128 VanDerWaalsContact CD2-OD2 3.31Å; L59-D128 WeakPolarHBondContact CD2-OD2 3.06Å; L59-D129 PolarHBondContact N-OD1 3.31Å
60N92.4Very high94.6Very high80 Ų8039.2 Ų39.243%0.42822%0.217SC..Hα-helixtrans-64-28.8178.3-71.1-36000112.9T58 P64 D129T58-N60 PolarHBondContact O-N 3.41Å; N60-P64 WeakPolarHBondContact O-CD 3.33Å; N60-D129 WeakPolarHBondContact CB-OD1 3.45Å; N60-D129 PolarHBondContact N-OD1 3Å; N60-D129 PolarHBondContact ND2-O 3.33Å; N60-D129 PolarHBondContact ND2-OD1 3.21Å; N60-D129 PolarHBondContact ND2-OD2 2.81Å; N60-D129 VanDerWaalsContact ND2-OD2 3.14Å
61Q95.1Very high94.5Very high111 Ų11141.2 Ų41.252%0.51923%0.234SC..Hα-helixtrans-79.8-37.3173.9-66.9174.3-26.600112M57 T58 L59 P64M57-Q61 VanDerWaalsContact CA-OE1 3.28Å; M57-Q61 HydrophobicContact CB-CB 4.03Å; T58-Q61 PolarHBondContact O-N 3.2Å; T58-Q61 VanDerWaalsContact O-N 3.17Å; L59-Q61 PolarHBondContact O-N 3.26Å; Q61-P64 WeakPolarHBondContact O-CD 3.25Å; Q61-P64 WeakPolarHBondContact O-CG 3.28Å
62M94.8Very high94.4Very high0 Ų046.2 Ų46.20%026%0.255CS..Hα-helixtrans-67-43.1-178.3-176-171.376.600112.2A48 L49 A52 M57 T58 L59 A65 F66 L91A48-M62 HydrophobicContact CB-CG 4.14Å; L49-M62 HydrophobicContact CD1-CE 4.16Å; L49-M62 HydrophobicContact CD1-SD 3.68Å; A52-M62 HydrophobicContact CB-CB 3.96Å; A52-M62 HydrophobicContact CB-CG 3.76Å; A52-M62 HydrophobicContact CB-SD 3.23Å; A52-M62 WeakPolarHBondContact CB-SD 3.32Å; M57-M62 HydrophobicContact CG-CB 4.26Å; M57-M62 HydrophobicContact SD-CB 3.82Å; M57-M62 HydrophobicContact SD-CG 4.06Å; T58-M62 WeakPolarHBondContact O-CB 3.39Å; T58-M62 PolarHBondContact O-N 3.29Å; L59-M62 HydrophobicContact CD1-CE 3.57Å; L59-M62 PolarHBondContact O-N 3.08Å; M62-A65 PolarHBondContact O-N 2.9Å; M62-F66 WeakPolarHBondContact O-CB 3.33Å; M62-F66 PolarHBondContact O-N 2.99Å; M62-L91 HydrophobicContact CE-CD1 3.28Å; M62-L91 HydrophobicContact CE-CD2 3.8Å; M62-L91 HydrophobicContact CE-CG 4.2Å
63I93.5Very high94.4Very high28 Ų2848.3 Ų48.314%0.14427%0.265CS..Hα-helixtrans-51.4-58.7-177.1-73.4163000112.9L59 A65 F66 Q67 V87 L91L59-I63 HydrophobicContact CD1-CD1 4.12Å; L59-I63 HydrophobicContact CD1-CG1 4.18Å; L59-I63 HydrophobicContact CG-CD1 4.08Å; L59-I63 WeakPolarHBondContact O-CG1 3.13Å; L59-I63 PolarHBondContact O-N 3.11Å; I63-A65 VanDerWaalsContact C-N 3.32Å; I63-A65 PolarHBondContact O-N 3.36Å; I63-F66 PolarHBondContact O-N 3.29Å; I63-Q67 WeakPolarHBondContact O-CB 3.42Å; I63-Q67 PolarHBondContact O-N 2.87Å; I63-V87 HydrophobicContact CG1-CG1 4.48Å; I63-V87 HydrophobicContact CG2-CB 4.44Å; I63-V87 HydrophobicContact CG2-CG1 4.31Å; I63-L91 HydrophobicContact CD1-CD1 4.15Å; I63-L91 HydrophobicContact CG1-CD1 3.44Å; I63-L91 VanDerWaalsContact CG1-CD1 3.44Å
64P94.8Very high94.3Very high78 Ų7847.8 Ų47.851%0.50626%0.263SS..Hα-helixtrans-66.8-33.9-178.325.4-34.4000112.4N60 Q61 Q67 A68N60-P64 WeakPolarHBondContact O-CD 3.33Å; Q61-P64 WeakPolarHBondContact O-CD 3.25Å; Q61-P64 WeakPolarHBondContact O-CG 3.28Å; P64-Q67 PolarHBondContact O-N 3.16Å; P64-A68 PolarHBondContact O-N 3.17Å
65A95.6Very high94.2Very high37 Ų3753.8 Ų53.831%0.30629%0.292SS..Hα-helixtrans-66-47.4177.400000111.6A48 M62 I63 Q67 A68 E69A48-A65 HydrophobicContact CB-CB 3.68Å; M62-A65 PolarHBondContact O-N 2.9Å; I63-A65 VanDerWaalsContact C-N 3.32Å; I63-A65 PolarHBondContact O-N 3.36Å; A65-Q67 VanDerWaalsContact C-N 3.3Å; A65-Q67 PolarHBondContact O-N 3.03Å; A65-A68 PolarHBondContact O-N 3.46Å; A65-E69 WeakPolarHBondContact O-CG 3.46Å; A65-E69 PolarHBondContact O-N 3.49Å
66F94.9Very high94Very high1 Ų157.6 Ų57.60%0.00431%0.31CS..Hα-helixtrans-66.3-34.4178.4-170.4-137.3000111.5L38 V41 A42 A48 M62 I63 E69 C70 V87 L90L38-F66 HydrophobicContact CD2-CZ 4.44Å; V41-F66 HydrophobicContact CB-CE2 3.94Å; V41-F66 HydrophobicContact CG1-CD2 4.07Å; V41-F66 HydrophobicContact CG1-CE2 3.61Å; A42-F66 HydrophobicContact CB-CE2 4.35Å; A42-F66 HydrophobicContact CB-CZ 4.14Å; A48-F66 HydrophobicContact CB-CB 3.95Å; M62-F66 WeakPolarHBondContact O-CB 3.33Å; M62-F66 PolarHBondContact O-N 2.99Å; I63-F66 PolarHBondContact O-N 3.29Å; F66-E69 PolarHBondContact O-N 3.04Å; F66-C70 PolarHBondContact O-N 3.31Å; F66-C70 PolarHBondContact O-SG 2.66Å; F66-V87 HydrophobicContact CB-CG1 4.25Å; F66-V87 HydrophobicContact CD1-CG1 3.64Å; F66-V87 HydrophobicContact CD1-CG2 4.08Å; F66-V87 HydrophobicContact CG-CG1 4.41Å; F66-L90 HydrophobicContact CE1-CD2 3.94Å
67Q94.1Very high93.8Very high69 Ų6956.3 Ų56.332%0.32230%0.301SS..Hα-helixtrans-63.4-42.6173.7-174.6153-34.400112.2I63 P64 A65 C70 A71 V87I63-Q67 WeakPolarHBondContact O-CB 3.42Å; I63-Q67 PolarHBondContact O-N 2.87Å; P64-Q67 PolarHBondContact O-N 3.16Å; A65-Q67 VanDerWaalsContact C-N 3.3Å; A65-Q67 PolarHBondContact O-N 3.03Å; Q67-C70 PolarHBondContact O-N 3.17Å; Q67-A71 PolarHBondContact O-N 3.25Å; Q67-V87 HydrophobicContact CB-CB 4.15Å; Q67-V87 HydrophobicContact CB-CG2 3.69Å; Q67-V87 HydrophobicContact CG-CG2 4.25Å
68A94Very high93.7Very high61 Ų6157.9 Ų57.950%0.50433%0.327SS..Hα-helixtrans-65.2-38.3174.700000112.4P64 A65 A71 K72P64-A68 PolarHBondContact O-N 3.17Å; A65-A68 PolarHBondContact O-N 3.46Å; A68-A71 PolarHBondContact O-N 3.18Å; A68-K72 WeakPolarHBondContact O-CB 3.37Å; A68-K72 PolarHBondContact O-N 3.22Å
69E95.4Very high93.5Very high40 Ų4058.9 Ų58.919%0.18733%0.331CS..Hα-helixtrans-62.5-42174.6-71.9171.1176.200112V41 G47 A48 A65 F66 K72 Q73V41-E69 HydrophobicContact CG1-CB 3.64Å; G47-E69 VanDerWaalsContact CA-OE1 3.28Å; G47-E69 WeakPolarHBondContact CA-OE1 3.23Å; A48-E69 VanDerWaalsContact N-CD 3.33Å; A48-E69 PolarHBondContact N-OE1 3.18Å; A48-E69 PolarHBondContact N-OE2 3.12Å; A65-E69 WeakPolarHBondContact O-CG 3.46Å; A65-E69 PolarHBondContact O-N 3.49Å; F66-E69 PolarHBondContact O-N 3.04Å; E69-K72 PolarHBondContact O-N 3.01Å; E69-Q73 WeakPolarHBondContact O-CB 3.48Å; E69-Q73 WeakPolarHBondContact O-CG 3.34Å; E69-Q73 PolarHBondContact O-N 3.42Å
70C93.4Very high93.4Very high0 Ų063.4 Ų63.40%037%0.368CS..Hα-helixtrans-62.6-47.8174.3-66.30000111.4F37 F66 Q67 K72 Q73 A74 W85F37-C70 HydrophobicContact CE1-CB 4.4Å; F37-C70 WeakPolarHBondContact CZ-O 3.4Å; F66-C70 PolarHBondContact O-N 3.31Å; F66-C70 PolarHBondContact O-SG 2.66Å; Q67-C70 PolarHBondContact O-N 3.17Å; C70-K72 VanDerWaalsContact C-N 3.34Å; C70-K72 PolarHBondContact O-N 3.22Å; C70-Q73 PolarHBondContact O-N 2.82Å; C70-A74 WeakPolarHBondContact O-CB 3.47Å; C70-A74 PolarHBondContact O-N 3.42Å; C70-W85 HydrophobicContact CB-CZ2 3.87Å
71A93.1Very high93.2Very high47 Ų4761.7 Ų61.739%0.38836%0.358SS..Hα-helixtrans-59.1-44.9178.400000112.1Q67 A68 Q73 A74 E75 L81Q67-A71 PolarHBondContact O-N 3.25Å; A68-A71 PolarHBondContact O-N 3.18Å; A71-Q73 PolarHBondContact O-N 3.42Å; A71-A74 PolarHBondContact O-N 3.25Å; A71-E75 PolarHBondContact O-N 2.85Å; A71-L81 HydrophobicContact CB-CD1 4.19Å
72K93.9Very high92.7Very high139 Ų13957.9 Ų57.960%0.60434%0.344SS*.Hα-helixtrans-62.3-42176.7-176.1176.8-179.11780112.2A68 E69 C70 E75 V76A68-K72 WeakPolarHBondContact O-CB 3.37Å; A68-K72 PolarHBondContact O-N 3.22Å; E69-K72 PolarHBondContact O-N 3.01Å; C70-K72 VanDerWaalsContact C-N 3.34Å; C70-K72 PolarHBondContact O-N 3.22Å; K72-E75 PolarHBondContact O-N 3.05Å; K72-V76 VanDerWaalsContact O-CG2 3.27Å; K72-V76 WeakPolarHBondContact O-CG2 3.34Å; K72-V76 PolarHBondContact O-N 3.44Å
73Q93.6Very high92.2Very high43 Ų4364.3 Ų64.320%0.20139%0.388CS..Hα-helixtrans-70.2-33.8178-75.9-65.6-32.800112.6F37 V41 E69 C70 A71 R77F37-Q73 HydrophobicContact CE2-CB 3.97Å; F37-Q73 HydrophobicContact CZ-CB 4.25Å; V41-Q73 HydrophobicContact CG2-CB 3.93Å; V41-Q73 HydrophobicContact CG2-CG 3.91Å; E69-Q73 WeakPolarHBondContact O-CB 3.48Å; E69-Q73 WeakPolarHBondContact O-CG 3.34Å; E69-Q73 PolarHBondContact O-N 3.42Å; C70-Q73 PolarHBondContact O-N 2.82Å; A71-Q73 PolarHBondContact O-N 3.42Å; Q73-R77 WeakPolarHBondContact O-CB 3.38Å; Q73-R77 WeakPolarHBondContact O-CG 3.45Å; Q73-R77 PolarHBondContact O-N 2.97Å; Q73-R77 VanDerWaalsContact O-N 3.17Å
74A92.8Very high91.6Very high3 Ų368 Ų683%0.02541%0.409CS..Hα-helixtrans-63.9-46.717300000110.9F37 C70 A71 V76 R77 G78 L79 L81F37-A74 HydrophobicContact CE2-CB 4.34Å; F37-A74 HydrophobicContact CZ-CB 4.1Å; C70-A74 WeakPolarHBondContact O-CB 3.47Å; C70-A74 PolarHBondContact O-N 3.42Å; A71-A74 PolarHBondContact O-N 3.25Å; A74-V76 PolarHBondContact O-N 3.38Å; A74-R77 CarbonylContact O-C 3.49Å; A74-R77 PolarHBondContact O-N 3.01Å; A74-R77 VanDerWaalsContact O-N 3.12Å; A74-G78 PolarHBondContact O-N 3.3Å; A74-L79 CarbonylContact C-O 3.59Å; A74-L79 HydrophobicContact CB-CB 4.16Å; A74-L79 PolarHBondContact O-N 3.48Å; A74-L81 HydrophobicContact CB-CD1 4.11Å; A74-L81 HydrophobicContact CB-CD2 3.98Å; A74-L81 HydrophobicContact CB-CG 3.69Å
75E93.2Very high91.1Very high158 Ų15865.8 Ų65.874%0.73839%0.39SS*.Hα-helixtrans-58-49176.2-174.9-178.1-169.600111.9A71 K72 R77 G78A71-E75 PolarHBondContact O-N 2.85Å; K72-E75 PolarHBondContact O-N 3.05Å; E75-R77 PolarHBondContact O-N 3.37Å; E75-G78 PolarHBondContact O-N 2.95Å
76V92.5Very high90.6Very high107 Ų10766 Ų6665%0.64839%0.389SS*.Hα-helixtrans-58.2-31.9177.8168.70000112.3K72 A74K72-V76 VanDerWaalsContact O-CG2 3.27Å; K72-V76 WeakPolarHBondContact O-CG2 3.34Å; K72-V76 PolarHBondContact O-N 3.44Å; A74-V76 PolarHBondContact O-N 3.38Å
77R92.4Very high90.2Very high113 Ų11366 Ų6643%0.42639%0.389SS..THydrogen-bonded Turntrans-94.71.8-179.7-66.2-177.5-177.6-144.92.7113.6N40 Q73 A74 E75 L79N40-R77 PolarHBondContact ND2-NH2 3.26Å; Q73-R77 WeakPolarHBondContact O-CB 3.38Å; Q73-R77 WeakPolarHBondContact O-CG 3.45Å; Q73-R77 PolarHBondContact O-N 2.97Å; Q73-R77 VanDerWaalsContact O-N 3.17Å; A74-R77 CarbonylContact O-C 3.49Å; A74-R77 PolarHBondContact O-N 3.01Å; A74-R77 VanDerWaalsContact O-N 3.12Å; E75-R77 PolarHBondContact O-N 3.37Å; R77-L79 VanDerWaalsContact C-N 3.26Å; R77-L79 HydrophobicContact CB-CD1 3.73Å; R77-L79 HydrophobicContact CB-CG 3.86Å; R77-L79 PolarHBondContact O-N 2.95Å
78G91.6Very high89.8Confident70 Ų7065 Ų6572%0.72239%0.39SS*.THydrogen-bonded Turntrans64.429.6-176.300000113.6A74 E75A74-G78 PolarHBondContact O-N 3.3Å; E75-G78 PolarHBondContact O-N 2.95Å
79L91.6Very high89.2Confident52 Ų5265.6 Ų65.627%0.27239%0.389SS..PPolyproline II helixtrans-99140-180-60.4168.6000110.1P34 F37 A74 R77P34-L79 HydrophobicContact CG-CD1 3.75Å; P34-L79 HydrophobicContact CG-CD2 3.85Å; P34-L79 HydrophobicContact CG-CG 4.47Å; F37-L79 HydrophobicContact CD2-CD1 4.01Å; F37-L79 HydrophobicContact CE2-CD1 4.15Å; A74-L79 CarbonylContact C-O 3.59Å; A74-L79 HydrophobicContact CB-CB 4.16Å; A74-L79 PolarHBondContact O-N 3.48Å; R77-L79 VanDerWaalsContact C-N 3.26Å; R77-L79 HydrophobicContact CB-CD1 3.73Å; R77-L79 HydrophobicContact CB-CG 3.86Å; R77-L79 PolarHBondContact O-N 2.95Å
80A88.2Confident88.7Confident94 Ų9464 Ų6478%0.77738%0.382SS*.PPolyproline II helixtrans-92.6123.5169.200000109.4
81L88.4Confident88.2Confident44 Ų4464.1 Ų64.123%0.2338%0.383CS..PPolyproline II helixtrans-74.4145.2169.5-67.5176.3000109.9L33 F37 A71 A74 W85L33-L81 HydrophobicContact CD1-CD2 4.28Å; L33-L81 HydrophobicContact CD2-CD2 4.02Å; F37-L81 HydrophobicContact CE1-CD2 4.27Å; F37-L81 HydrophobicContact CZ-CD2 4.34Å; A71-L81 HydrophobicContact CB-CD1 4.19Å; A74-L81 HydrophobicContact CB-CD1 4.11Å; A74-L81 HydrophobicContact CB-CD2 3.98Å; A74-L81 HydrophobicContact CB-CG 3.69Å; L81-W85 HydrophobicContact CB-CB 4.24Å; L81-W85 HydrophobicContact CB-CG 4.22Å; L81-W85 HydrophobicContact CD1-CD2 4.38Å; L81-W85 HydrophobicContact CD1-CG 4.15Å; L81-W85 HydrophobicContact CD2-CD2 4.07Å; L81-W85 HydrophobicContact CD2-CE3 4.27Å; L81-W85 HydrophobicContact CD2-CZ2 4.41Å
82P85.3Confident87.7Confident32 Ų3265.5 Ų65.521%0.20838%0.381CS..PPolyproline II helixtrans-56.1153.1174.5-22.530.3000113.1H31 D84 W85H31-P82 HydrophobicContact CB-CG 3.65Å; H31-P82 WeakPolarHBondContact ND1-CG 3.21Å; P82-D84 WeakPolarHBondContact CB-OD1 3.45Å; P82-D84 PolarHBondContact O-N 3.05Å; P82-W85 WeakPolarHBondContact O-CB 3.31Å; P82-W85 PolarHBondContact O-N 3.47Å; P82-W85 VanDerWaalsContact O-N 3.11Å
83S83.5Confident87.3Confident134 Ų13463 Ų6394%0.93737%0.371SS*.THydrogen-bonded Turntrans-64.7-24.9178.352.80000113.9
84D81.8Confident86.8Confident107 Ų10761.1 Ų61.157%0.57236%0.363SS*.THydrogen-bonded Turntrans-97.111.4177.464.3-29.6000112.9H31 P82 C86H31-D84 IonicContact CE1-OD1 2.71Å; H31-D84 IonicContact CE1-OD2 3.37Å; P82-D84 WeakPolarHBondContact CB-OD1 3.45Å; P82-D84 PolarHBondContact O-N 3.05Å; D84-C86 PolarHBondContact O-N 3.42Å
85W83.8Confident86.4Confident30 Ų3062.5 Ų62.511%0.11437%0.368CS..  trans-57122.8-179.9178.7-98.8000112.1L33 L38 C70 L81 P82L33-W85 HydrophobicContact CD1-CE3 4.28Å; L33-W85 HydrophobicContact CD1-CH2 3.69Å; L33-W85 HydrophobicContact CD1-CZ3 3.4Å; L38-W85 HydrophobicContact CD1-CH2 4.3Å; L38-W85 HydrophobicContact CD2-CH2 3.67Å; L38-W85 HydrophobicContact CD2-CZ2 3.91Å; L38-W85 HydrophobicContact CG-CH2 4.2Å; C70-W85 HydrophobicContact CB-CZ2 3.87Å; L81-W85 HydrophobicContact CB-CB 4.24Å; L81-W85 HydrophobicContact CB-CG 4.22Å; L81-W85 HydrophobicContact CD1-CD2 4.38Å; L81-W85 HydrophobicContact CD1-CG 4.15Å; L81-W85 HydrophobicContact CD2-CD2 4.07Å; L81-W85 HydrophobicContact CD2-CE3 4.27Å; L81-W85 HydrophobicContact CD2-CZ2 4.41Å; P82-W85 WeakPolarHBondContact O-CB 3.31Å; P82-W85 PolarHBondContact O-N 3.47Å; P82-W85 VanDerWaalsContact O-N 3.11Å
86C85.4Confident86Confident42 Ų4260.3 Ų60.328%0.28436%0.356SS..  trans-149.6115.9-174.1-170.40000111.6D84 S88 C89 L90D84-C86 PolarHBondContact O-N 3.42Å; C86-S88 VanDerWaalsContact C-N 3.29Å; C86-S88 PolarHBondContact O-N 2.95Å; C86-S88 PolarHBondContact SG-OG 2.93Å; C86-C89 HydrophobicContact CB-CB 4.19Å; C86-C89 PolarHBondContact O-N 2.98Å; C86-L90 PolarHBondContact O-N 3.47Å
87V86.2Confident85.7Confident1 Ų155.9 Ų55.91%0.00633%0.33CS..Hα-helixtrans-67.5-30.6177.4164.50000112I63 F66 Q67 C89 L90 L91I63-V87 HydrophobicContact CG1-CG1 4.48Å; I63-V87 HydrophobicContact CG2-CB 4.44Å; I63-V87 HydrophobicContact CG2-CG1 4.31Å; F66-V87 HydrophobicContact CB-CG1 4.25Å; F66-V87 HydrophobicContact CD1-CG1 3.64Å; F66-V87 HydrophobicContact CD1-CG2 4.08Å; F66-V87 HydrophobicContact CG-CG1 4.41Å; Q67-V87 HydrophobicContact CB-CB 4.15Å; Q67-V87 HydrophobicContact CB-CG2 3.69Å; Q67-V87 HydrophobicContact CG-CG2 4.25Å; V87-C89 VanDerWaalsContact C-N 3.31Å; V87-C89 PolarHBondContact O-N 2.84Å; V87-L90 WeakPolarHBondContact O-CB 3.42Å; V87-L90 PolarHBondContact O-N 3.34Å; V87-L91 HydrophobicContact CG1-CD1 4.01Å; V87-L91 HydrophobicContact CG1-CG 4.23Å; V87-L91 WeakPolarHBondContact O-CG 3.48Å; V87-L91 PolarHBondContact O-N 3.06Å
88S84.9Confident85.5Confident48 Ų4850.8 Ų50.834%0.33631%0.311SS..Hα-helixtrans-65.9-35.4178.363.60000112.1C86 L91 E92C86-S88 VanDerWaalsContact C-N 3.29Å; C86-S88 PolarHBondContact O-N 2.95Å; C86-S88 PolarHBondContact SG-OG 2.93Å; S88-L91 PolarHBondContact O-N 2.92Å; S88-E92 PolarHBondContact O-N 2.82Å
89C83.3Confident85.3Confident74 Ų7451 Ų5150%0.529%0.294SS..Hα-helixtrans-62.7-42.3172.8-63.30000111.7C86 V87 E92 E93C86-C89 HydrophobicContact CB-CB 4.19Å; C86-C89 PolarHBondContact O-N 2.98Å; V87-C89 VanDerWaalsContact C-N 3.31Å; V87-C89 PolarHBondContact O-N 2.84Å; C89-E92 PolarHBondContact O-N 3.46Å; C89-E93 PolarHBondContact O-N 3.07Å
90L83.1Confident85.2Confident6 Ų652.8 Ų52.83%0.03130%0.304CS..Hα-helixtrans-58.2-48.7173.8160.460.6000111.4V23 F24 L27 L38 F66 C86 V87 E92 E93 V94V23-L90 HydrophobicContact CG1-CD1 4.18Å; F24-L90 HydrophobicContact CD1-CD1 3.57Å; F24-L90 HydrophobicContact CD1-CD2 4.21Å; F24-L90 HydrophobicContact CD1-CG 4.47Å; F24-L90 HydrophobicContact CE1-CD1 3.78Å; F24-L90 HydrophobicContact CE1-CD2 4.1Å; F24-L90 HydrophobicContact CE1-CG 4.36Å; L27-L90 HydrophobicContact CD1-CB 3.75Å; L27-L90 HydrophobicContact CD1-CD1 3.12Å; L27-L90 HydrophobicContact CD1-CG 3.97Å; L38-L90 HydrophobicContact CD1-CD2 4.09Å; L38-L90 HydrophobicContact CD2-CD2 4.25Å; F66-L90 HydrophobicContact CE1-CD2 3.94Å; C86-L90 PolarHBondContact O-N 3.47Å; V87-L90 WeakPolarHBondContact O-CB 3.42Å; V87-L90 PolarHBondContact O-N 3.34Å; L90-E92 VanDerWaalsContact C-N 3.27Å; L90-E92 PolarHBondContact O-N 3.01Å; L90-E93 PolarHBondContact O-N 2.55Å; L90-V94 HydrophobicContact CD1-CG2 4.06Å; L90-V94 WeakPolarHBondContact O-CG2 3.32Å; L90-V94 PolarHBondContact O-N 2.98Å
91L82.9Confident85.4Confident3 Ų349.3 Ų49.32%0.01627%0.273CS..Hα-helixtrans-69.7-25.9-177.5-66.4176.8000113.1L59 M62 I63 V87 S88 V94 R95L59-L91 HydrophobicContact CD1-CD1 3.54Å; M62-L91 HydrophobicContact CE-CD1 3.28Å; M62-L91 HydrophobicContact CE-CD2 3.8Å; M62-L91 HydrophobicContact CE-CG 4.2Å; I63-L91 HydrophobicContact CD1-CD1 4.15Å; I63-L91 HydrophobicContact CG1-CD1 3.44Å; I63-L91 VanDerWaalsContact CG1-CD1 3.44Å; V87-L91 HydrophobicContact CG1-CD1 4.01Å; V87-L91 HydrophobicContact CG1-CG 4.23Å; V87-L91 WeakPolarHBondContact O-CG 3.48Å; V87-L91 PolarHBondContact O-N 3.06Å; S88-L91 PolarHBondContact O-N 2.92Å; L91-V94 PolarHBondContact O-N 3.04Å; L91-R95 WeakPolarHBondContact O-CB 3.37Å; L91-R95 WeakPolarHBondContact O-CG 3.23Å; L91-R95 PolarHBondContact O-N 3.21Å
92E83.8Confident85.6Confident76 Ų7649.4 Ų49.436%0.35527%0.273SS..Hα-helixtrans-65.9-41.9170.8-172.859-155.900111.3S88 C89 L90 V94 R95 K96S88-E92 PolarHBondContact O-N 2.82Å; C89-E92 PolarHBondContact O-N 3.46Å; L90-E92 VanDerWaalsContact C-N 3.27Å; L90-E92 PolarHBondContact O-N 3.01Å; E92-V94 VanDerWaalsContact C-N 3.35Å; E92-R95 WeakPolarHBondContact O-CB 3.36Å; E92-R95 PolarHBondContact O-N 2.91Å; E92-R95 IonicContact OE2-CZ 2.91Å; E92-R95 IonicContact OE2-NE 3.32Å; E92-R95 IonicContact OE2-NH1 3.84Å; E92-R95 PolarHBondContact OE2-NH1 3.04Å; E92-K96 WeakPolarHBondContact O-CG 3.44Å; E92-K96 PolarHBondContact O-N 2.9Å
93E84.6Confident85.7Confident85 Ų8552.1 Ų52.140%0.39729%0.285SS..Hα-helixtrans-66.3-37173.5-66.9-56.412600112.3V23 C89 L90 K96 A97V23-E93 HydrophobicContact CG1-CB 3.95Å; C89-E93 PolarHBondContact O-N 3.07Å; L90-E93 PolarHBondContact O-N 2.55Å; E93-K96 PolarHBondContact O-N 3.39Å; E93-K96 IonicContact OE1-NZ 3.97Å; E93-K96 PolarHBondContact OE1-NZ 3.45Å; E93-A97 WeakPolarHBondContact O-CB 3.36Å; E93-A97 PolarHBondContact O-N 2.92Å
94V84.6Confident86.1Confident4 Ų448.2 Ų48.22%0.02425%0.253CS..Hα-helixtrans-62.5-45.4171.9178.90000110.4W12 V23 F24 L90 L91 E92 K96 A97 M98 W126W12-V94 HydrophobicContact CH2-CG1 3.69Å; W12-V94 HydrophobicContact CZ2-CG1 3.99Å; V23-V94 HydrophobicContact CB-CG2 4.22Å; V23-V94 HydrophobicContact CG1-CG2 3.83Å; F24-V94 HydrophobicContact CE1-CG2 4.3Å; L90-V94 HydrophobicContact CD1-CG2 4.06Å; L90-V94 WeakPolarHBondContact O-CG2 3.32Å; L90-V94 PolarHBondContact O-N 2.98Å; L91-V94 PolarHBondContact O-N 3.04Å; E92-V94 VanDerWaalsContact C-N 3.35Å; V94-K96 PolarHBondContact O-N 2.88Å; V94-A97 WeakPolarHBondContact O-CB 3.3Å; V94-A97 PolarHBondContact O-N 3.05Å; V94-A97 VanDerWaalsContact O-N 3.15Å; V94-M98 VanDerWaalsContact O-CG 3.31Å; V94-M98 WeakPolarHBondContact O-CG 3.4Å; V94-M98 PolarHBondContact O-N 2.91Å; V94-W126 HydrophobicContact CG1-CH2 3.81Å
95R83.6Confident86.7Confident33 Ų3343.1 Ų43.113%0.12523%0.226CC..Hα-helixtrans-58.8-45176.1-83.6-176.8-107.6161.2-22.8112.5L91 E92 A97 M98 M99L91-R95 WeakPolarHBondContact O-CB 3.37Å; L91-R95 WeakPolarHBondContact O-CG 3.23Å; L91-R95 PolarHBondContact O-N 3.21Å; E92-R95 WeakPolarHBondContact O-CB 3.36Å; E92-R95 PolarHBondContact O-N 2.91Å; E92-R95 IonicContact OE2-CZ 2.91Å; E92-R95 IonicContact OE2-NE 3.32Å; E92-R95 IonicContact OE2-NH1 3.84Å; E92-R95 PolarHBondContact OE2-NH1 3.04Å; R95-A97 VanDerWaalsContact C-N 3.31Å; R95-A97 PolarHBondContact O-N 3.11Å; R95-M98 HydrophobicContact CG-SD 4.39Å; R95-M98 WeakPolarHBondContact O-CB 3.26Å; R95-M98 PolarHBondContact O-N 2.6Å; R95-M98 VanDerWaalsContact O-N 3.15Å; R95-M99 PolarHBondContact O-N 3.39Å
96K84.5Confident87Confident112 Ų11242.6 Ų42.649%0.48723%0.226SC..Hα-helixtrans-58.9-43.7174.3-71.4172.7-171.2166.70111.6E92 E93 V94 M98 M99E92-K96 WeakPolarHBondContact O-CG 3.44Å; E92-K96 PolarHBondContact O-N 2.9Å; E93-K96 PolarHBondContact O-N 3.39Å; E93-K96 IonicContact OE1-NZ 3.97Å; E93-K96 PolarHBondContact OE1-NZ 3.45Å; V94-K96 PolarHBondContact O-N 2.88Å; K96-M98 VanDerWaalsContact C-N 3.3Å; K96-M98 PolarHBondContact O-N 3.33Å; K96-M99 PolarHBondContact O-N 3.12Å
97A86.8Confident87.1Confident14 Ų1446.3 Ų46.312%0.11624%0.237CC..Hα-helixtrans-64.1-33.9177.400000112.4V16 V23 E93 V94 R95 M99 D100V16-A97 WeakPolarHBondContact CG1-O 3.43Å; V23-A97 HydrophobicContact CG2-CB 4.09Å; E93-A97 WeakPolarHBondContact O-CB 3.36Å; E93-A97 PolarHBondContact O-N 2.92Å; V94-A97 WeakPolarHBondContact O-CB 3.3Å; V94-A97 PolarHBondContact O-N 3.05Å; V94-A97 VanDerWaalsContact O-N 3.15Å; R95-A97 VanDerWaalsContact C-N 3.31Å; R95-A97 PolarHBondContact O-N 3.11Å; A97-M99 PolarHBondContact O-N 2.83Å; A97-D100 WeakPolarHBondContact O-CB 3.27Å; A97-D100 PolarHBondContact O-N 3.36Å
98M87.8Confident87.4Confident5 Ų546.4 Ų46.43%0.02524%0.237CC..Hα-helixtrans-60.9-26.2175.9-65.7167.558.200113.2F11 W12 V16 V94 R95 K96 D100 H125 W126 L139F11-M98 HydrophobicContact CE1-CB 4.37Å; F11-M98 HydrophobicContact CE1-CE 4.48Å; F11-M98 HydrophobicContact CE1-CG 4.1Å; F11-M98 HydrophobicContact CZ-CB 4.13Å; F11-M98 HydrophobicContact CZ-CG 4.34Å; W12-M98 HydrophobicContact CH2-CB 4.27Å; W12-M98 HydrophobicContact CH2-CG 3.15Å; W12-M98 HydrophobicContact CH2-SD 4.22Å; W12-M98 HydrophobicContact CZ2-CG 3.57Å; W12-M98 HydrophobicContact CZ2-SD 4.18Å; W12-M98 HydrophobicContact CZ3-CG 4.01Å; V16-M98 WeakPolarHBondContact CG2-O 3.38Å; V94-M98 VanDerWaalsContact O-CG 3.31Å; V94-M98 WeakPolarHBondContact O-CG 3.4Å; V94-M98 PolarHBondContact O-N 2.91Å; R95-M98 HydrophobicContact CG-SD 4.39Å; R95-M98 WeakPolarHBondContact O-CB 3.26Å; R95-M98 PolarHBondContact O-N 2.6Å; R95-M98 VanDerWaalsContact O-N 3.15Å; K96-M98 VanDerWaalsContact C-N 3.3Å; K96-M98 PolarHBondContact O-N 3.33Å; M98-D100 VanDerWaalsContact C-N 3.28Å; M98-H125 WeakPolarHBondContact CE-NE2 3.49Å; M98-W126 HydrophobicContact SD-CH2 4.37Å; M98-W126 HydrophobicContact SD-CZ2 4.23Å; M98-L139 HydrophobicContact CB-CD2 3.96Å; M98-L139 HydrophobicContact CE-CD2 3.78Å
99M86.4Confident87.7Confident74 Ų7444.1 Ų44.137%0.36522%0.221SC..THydrogen-bonded Turntrans-79.4-12.1-178.6-64-49.6-40.700113.9R95 K96 A97 V101 D135 L139R95-M99 PolarHBondContact O-N 3.39Å; K96-M99 PolarHBondContact O-N 3.12Å; A97-M99 PolarHBondContact O-N 2.83Å; M99-V101 PolarHBondContact O-N 2.83Å; M99-D135 HydrophobicContact SD-CB 4.36Å; M99-L139 HydrophobicContact CE-CB 3.94Å; M99-L139 HydrophobicContact CE-CD1 4.26Å; M99-L139 HydrophobicContact SD-CB 3.8Å; M99-L139 HydrophobicContact SD-CD2 4.42Å; M99-L139 HydrophobicContact SD-CG 4.48Å
100D90.2Very high87.9Confident90 Ų9041.4 Ų41.448%0.48120%0.204SC..  trans-80.967.6178-170.224.2000110.7P17 A97 M98P17-D100 WeakPolarHBondContact CD-O 3.39Å; P17-D100 VanDerWaalsContact CG-OD2 3.24Å; P17-D100 WeakPolarHBondContact CG-OD2 3.32Å; A97-D100 WeakPolarHBondContact O-CB 3.27Å; A97-D100 PolarHBondContact O-N 3.36Å; M98-D100 VanDerWaalsContact C-N 3.28Å
101V92.1Very high88.1Confident22 Ų2241.1 Ų41.113%0.13320%0.203CC..  trans-79.9128.9179.8-1800000110.2V15 V16 M99 D103 L106 L139 L142 L143V15-V101 HydrophobicContact CG1-CG1 3.9Å; V16-V101 HydrophobicContact CG2-CG2 4.3Å; M99-V101 PolarHBondContact O-N 2.83Å; V101-D103 PolarHBondContact O-N 3.22Å; V101-L106 HydrophobicContact CG1-CD1 3.85Å; V101-L106 HydrophobicContact CG1-CD2 3.82Å; V101-L106 HydrophobicContact CG1-CG 3.85Å; V101-L139 HydrophobicContact CG2-CD1 3.45Å; V101-L139 VanDerWaalsContact CG2-CD1 3.45Å; V101-L142 HydrophobicContact CB-CD2 4.24Å; V101-L142 HydrophobicContact CG1-CD2 4.44Å; V101-L142 HydrophobicContact CG2-CD2 4.17Å; V101-L143 HydrophobicContact CG1-CD2 4.43Å
102Q92.2Very high88.5Confident46 Ų4641 Ų4122%0.21520%0.202CC..  trans-74114.9-176.9-59.6-16877.800111.8V14 V15 P17 I104 V105 L106 L206V14-Q102 PolarHBondContact O-NE2 3.05Å; V15-Q102 WeakPolarHBondContact O-CG 3.21Å; V15-Q102 PolarHBondContact O-N 3.29Å; P17-Q102 HydrophobicContact CB-CG 4.18Å; P17-Q102 HydrophobicContact CG-CG 4.11Å; Q102-I104 VanDerWaalsContact C-N 3.26Å; Q102-I104 HydrophobicContact CB-CG2 4.3Å; Q102-I104 PolarHBondContact O-N 3.5Å; Q102-V105 HydrophobicContact CB-CG2 3.94Å; Q102-V105 WeakPolarHBondContact O-CB 3.13Å; Q102-V105 PolarHBondContact O-N 2.71Å; Q102-L106 PolarHBondContact O-N 2.88Å; Q102-L206 VanDerWaalsContact CD-CD2 3.49Å
103D88.7Confident88.7Confident88 Ų8840.6 Ų40.647%0.47120%0.198SC..Hα-helixtrans-56.2-36.3179.9178.262.4000113.1V101 V105 L106 K107V101-D103 PolarHBondContact O-N 3.22Å; D103-V105 PolarHBondContact O-N 3Å; D103-L106 PolarHBondContact O-N 2.97Å; D103-K107 WeakPolarHBondContact O-CB 3.04Å; D103-K107 WeakPolarHBondContact O-CG 3.28Å; D103-K107 PolarHBondContact O-N 3.42Å; D103-K107 WeakPolarHBondContact OD1-CE 3.43Å; D103-K107 IonicContact OD1-NZ 2.93Å; D103-K107 WeakPolarHBondContact OD2-CD 3.33Å; D103-K107 WeakPolarHBondContact OD2-CE 3.19Å; D103-K107 IonicContact OD2-NZ 3.32Å; D103-K107 PolarHBondContact OD2-NZ 3.42Å
104I91.3Very high88.6Confident53 Ų5342.6 Ų42.627%0.27220%0.202SC..Hα-helixtrans-60.2-34.4176.4-166.8172.8000112.4Q102 T108 L206 E207 L210 V222Q102-I104 VanDerWaalsContact C-N 3.26Å; Q102-I104 HydrophobicContact CB-CG2 4.3Å; Q102-I104 PolarHBondContact O-N 3.5Å; I104-T108 VanDerWaalsContact O-CB 3.24Å; I104-T108 WeakPolarHBondContact O-CB 3.23Å; I104-T108 PolarHBondContact O-N 2.86Å; I104-T108 PolarHBondContact O-OG1 2.88Å; I104-L206 HydrophobicContact CG2-CD2 3.76Å; I104-L206 HydrophobicContact CG2-CG 4.5Å; I104-E207 HydrophobicContact CD1-CB 4.35Å; I104-E207 HydrophobicContact CD1-CG 4.19Å; I104-L210 HydrophobicContact CD1-CD1 4.06Å; I104-L210 HydrophobicContact CG1-CD1 3.83Å; I104-L210 HydrophobicContact CG2-CD1 4.09Å; I104-V222 HydrophobicContact CD1-CG1 4.44Å
105V93.8Very high88.7Confident0 Ų047.2 Ų47.20%022%0.223CC..Hα-helixtrans-74.5-41.3178.6-175.70000110.4F9 V15 Q102 D103 T108 S109 F147 L206 L210F9-V105 HydrophobicContact CD1-CG1 3.98Å; F9-V105 HydrophobicContact CE1-CG1 4.13Å; F9-V105 HydrophobicContact CG-CG1 4.4Å; V15-V105 HydrophobicContact CG2-CG1 4.21Å; Q102-V105 HydrophobicContact CB-CG2 3.94Å; Q102-V105 WeakPolarHBondContact O-CB 3.13Å; Q102-V105 PolarHBondContact O-N 2.71Å; D103-V105 PolarHBondContact O-N 3Å; V105-T108 PolarHBondContact O-N 3.17Å; V105-S109 WeakPolarHBondContact O-CB 3.33Å; V105-S109 PolarHBondContact O-N 3.21Å; V105-F147 HydrophobicContact CG1-CZ 4.09Å; V105-L206 HydrophobicContact CG2-CD1 4.26Å; V105-L206 HydrophobicContact CG2-CD2 3.84Å; V105-L210 HydrophobicContact CG2-CD1 4.44Å
106L90.6Very high88.9Confident19 Ų1948 Ų4810%0.09924%0.242CC..Hα-helixtrans-61.4-48.7175.9-61.1-176.4000111.3V101 Q102 D103 T108 S109 A110 L142 N146 F147V101-L106 HydrophobicContact CG1-CD1 3.85Å; V101-L106 HydrophobicContact CG1-CD2 3.82Å; V101-L106 HydrophobicContact CG1-CG 3.85Å; Q102-L106 PolarHBondContact O-N 2.88Å; D103-L106 PolarHBondContact O-N 2.97Å; L106-T108 PolarHBondContact O-N 3.14Å; L106-S109 PolarHBondContact O-N 3.44Å; L106-A110 WeakPolarHBondContact O-CB 3.35Å; L106-A110 PolarHBondContact O-N 2.99Å; L106-L142 HydrophobicContact CD1-CD1 4.16Å; L106-L142 HydrophobicContact CD1-CD2 4.31Å; L106-L142 HydrophobicContact CD1-CG 4.37Å; L106-N146 HydrophobicContact CD2-CB 3.81Å; L106-F147 HydrophobicContact CD2-CE2 3.83Å; L106-F147 HydrophobicContact CD2-CZ 4.38Å
107K88Confident89.4Confident120 Ų12043.1 Ų43.152%0.52222%0.221SC..Hα-helixtrans-60.3-43.4175.9-73.8174.4173.5166.20112.2D103 A110 S111D103-K107 WeakPolarHBondContact O-CB 3.04Å; D103-K107 WeakPolarHBondContact O-CG 3.28Å; D103-K107 PolarHBondContact O-N 3.42Å; D103-K107 WeakPolarHBondContact OD1-CE 3.43Å; D103-K107 IonicContact OD1-NZ 2.93Å; D103-K107 WeakPolarHBondContact OD2-CD 3.33Å; D103-K107 WeakPolarHBondContact OD2-CE 3.19Å; D103-K107 IonicContact OD2-NZ 3.32Å; D103-K107 PolarHBondContact OD2-NZ 3.42Å; K107-A110 PolarHBondContact O-N 2.87Å; K107-S111 WeakPolarHBondContact O-CB 3.47Å; K107-S111 PolarHBondContact O-N 2.65Å
108T91.6Very high89.9Confident2 Ų243.7 Ų43.71%0.01222%0.222CC..Hα-helixtrans-63.2-44.1176.7-60.20000111I104 V105 L106 S111 L112 L210 L213 A221 V222I104-T108 VanDerWaalsContact O-CB 3.24Å; I104-T108 WeakPolarHBondContact O-CB 3.23Å; I104-T108 PolarHBondContact O-N 2.86Å; I104-T108 PolarHBondContact O-OG1 2.88Å; V105-T108 PolarHBondContact O-N 3.17Å; L106-T108 PolarHBondContact O-N 3.14Å; T108-S111 PolarHBondContact O-N 3.23Å; T108-L112 HydrophobicContact CG2-CD1 4.07Å; T108-L112 HydrophobicContact CG2-CG 4.39Å; T108-L112 WeakPolarHBondContact O-CB 3.49Å; T108-L112 VanDerWaalsContact O-CG 3.27Å; T108-L112 WeakPolarHBondContact O-CG 3.37Å; T108-L112 PolarHBondContact O-N 2.85Å; T108-L210 HydrophobicContact CG2-CD2 4.2Å; T108-L213 HydrophobicContact CG2-CD1 3.99Å; T108-A221 HydrophobicContact CG2-CB 3.83Å; T108-V222 HydrophobicContact CG2-CG2 4.41Å
109S92.2Very high90.3Very high0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-61.1-46.3176.3-178.80000112V105 L106 S111 L112 R113 T119 N146 F147V105-S109 WeakPolarHBondContact O-CB 3.33Å; V105-S109 PolarHBondContact O-N 3.21Å; L106-S109 PolarHBondContact O-N 3.44Å; S109-S111 VanDerWaalsContact C-N 3.34Å; S109-S111 PolarHBondContact O-N 3.45Å; S109-L112 PolarHBondContact O-N 2.8Å; S109-R113 WeakPolarHBondContact O-CB 3.36Å; S109-R113 WeakPolarHBondContact O-CG 3.4Å; S109-R113 PolarHBondContact O-N 2.8Å; S109-T119 WeakPolarHBondContact OG-CB 3.4Å; S109-T119 PolarHBondContact OG-OG1 3.27Å; S109-N146 PolarHBondContact OG-O 3.03Å; S109-F147 VanDerWaalsContact OG-CD1 3.28Å; S109-F147 WeakPolarHBondContact OG-CD1 3.12Å; S109-F147 WeakPolarHBondContact OG-CE1 3.49Å
110A86.6Confident90.8Very high18 Ų1840 Ų4015%0.14920%0.204CC..Hα-helixtrans-59-45.6177.100000111.6L106 K107 R113 Y114L106-A110 WeakPolarHBondContact O-CB 3.35Å; L106-A110 PolarHBondContact O-N 2.99Å; K107-A110 PolarHBondContact O-N 2.87Å; A110-R113 PolarHBondContact O-N 3.26Å; A110-Y114 WeakPolarHBondContact O-CB 3.37Å; A110-Y114 PolarHBondContact O-N 2.83Å
111S87.5Confident91.2Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-63.6-43.9177-176.20000112.5K107 T108 S109 R113 Y114 H115 A221K107-S111 WeakPolarHBondContact O-CB 3.47Å; K107-S111 PolarHBondContact O-N 2.65Å; T108-S111 PolarHBondContact O-N 3.23Å; S109-S111 VanDerWaalsContact C-N 3.34Å; S109-S111 PolarHBondContact O-N 3.45Å; S111-R113 PolarHBondContact O-N 2.88Å; S111-Y114 PolarHBondContact O-N 3Å; S111-H115 PolarHBondContact O-N 3.15Å; S111-H115 PolarHBondContact O-ND1 2.82Å; S111-A221 WeakPolarHBondContact OG-CA 3.37Å; S111-A221 PolarHBondContact OG-O 2.87Å
112L91Very high91.5Very high0 Ų034.6 Ų34.60%018%0.175CC..Hα-helixtrans-59.6-47.6174.9-75.4173.9000111.8V7 F9 T108 S109 Y114 H115 G116 V117 T119 L213 T217 V219 A221V7-L112 HydrophobicContact CB-CD1 4.12Å; V7-L112 HydrophobicContact CG1-CD1 4.43Å; V7-L112 HydrophobicContact CG2-CD1 4Å; F9-L112 HydrophobicContact CZ-CD1 4.34Å; T108-L112 HydrophobicContact CG2-CD1 4.07Å; T108-L112 HydrophobicContact CG2-CG 4.39Å; T108-L112 WeakPolarHBondContact O-CB 3.49Å; T108-L112 VanDerWaalsContact O-CG 3.27Å; T108-L112 WeakPolarHBondContact O-CG 3.37Å; T108-L112 PolarHBondContact O-N 2.85Å; S109-L112 PolarHBondContact O-N 2.8Å; L112-Y114 VanDerWaalsContact C-N 3.34Å; L112-Y114 PolarHBondContact O-N 2.81Å; L112-H115 CarbonylContact O-C 3.12Å; L112-H115 PolarHBondContact O-N 2.89Å; L112-H115 VanDerWaalsContact O-N 3.11Å; L112-G116 PolarHBondContact O-N 3.23Å; L112-V117 CarbonylContact C-O 3.47Å; L112-V117 HydrophobicContact CB-CB 4.03Å; L112-V117 HydrophobicContact CB-CG1 4.34Å; L112-V117 HydrophobicContact CD2-CB 4.2Å; L112-V117 HydrophobicContact CD2-CG1 4.2Å; L112-V117 HydrophobicContact CD2-CG2 4.25Å; L112-V117 WeakPolarHBondContact O-CB 3.2Å; L112-V117 PolarHBondContact O-N 2.83Å; L112-T119 HydrophobicContact CB-CG2 3.77Å; L112-T119 HydrophobicContact CD1-CG2 4.01Å; L112-L213 HydrophobicContact CD1-CD1 4.15Å; L112-T217 HydrophobicContact CD2-CG2 3.98Å; L112-V219 HydrophobicContact CD2-CB 4.21Å; L112-V219 HydrophobicContact CD2-CG1 4.32Å; L112-A221 HydrophobicContact CD2-CB 3.76Å; L112-A221 HydrophobicContact CG-CB 3.74Å
113R88.6Confident91.5Very high68 Ų6832.7 Ų32.726%0.25717%0.166SC..Hα-helixtrans-61.9-41.9178.3-76178.560.4-152.8-0.4112.4S109 A110 S111 H115 G116 V117 T119 S145 N146 N148S109-R113 WeakPolarHBondContact O-CB 3.36Å; S109-R113 WeakPolarHBondContact O-CG 3.4Å; S109-R113 PolarHBondContact O-N 2.8Å; A110-R113 PolarHBondContact O-N 3.26Å; S111-R113 PolarHBondContact O-N 2.88Å; R113-H115 PolarHBondContact O-N 3.02Å; R113-G116 PolarHBondContact O-N 2.89Å; R113-V117 WeakPolarHBondContact CA-O 3.49Å; R113-T119 WeakPolarHBondContact CD-OG1 3.27Å; R113-T119 HydrophobicContact CG-CG2 4.05Å; R113-T119 WeakPolarHBondContact CG-OG1 3.11Å; R113-S145 PolarHBondContact NH1-O 3.26Å; R113-N146 VanDerWaalsContact CD-O 3.24Å; R113-N146 WeakPolarHBondContact CD-O 3.23Å; R113-N146 PolarHBondContact NH1-O 2.84Å; R113-N146 VanDerWaalsContact NH1-O 3.11Å; R113-N148 WeakPolarHBondContact CG-OD1 3.18Å
114Y83.4Confident91.8Very high127 Ų12729.2 Ų29.250%0.49815%0.148SC..Hα-helixtrans-57.6-34.9175.7-177.4-101.1000111.9A110 S111 L112 G116 P227A110-Y114 WeakPolarHBondContact O-CB 3.37Å; A110-Y114 PolarHBondContact O-N 2.83Å; S111-Y114 PolarHBondContact O-N 3Å; L112-Y114 VanDerWaalsContact C-N 3.34Å; L112-Y114 PolarHBondContact O-N 2.81Å; Y114-G116 VanDerWaalsContact C-N 3.32Å; Y114-G116 PolarHBondContact O-N 2.98Å; Y114-P227 HydrophobicContact CD2-CG 3.95Å; Y114-P227 HydrophobicContact CE2-CG 3.74Å
115H86.4Confident91.7Very high100 Ų10027.1 Ų27.146%0.46314%0.137SC..THydrogen-bonded Turntrans-90.313.3176.1-64.391.9000114.1S111 L112 R113 V219S111-H115 PolarHBondContact O-N 3.15Å; S111-H115 PolarHBondContact O-ND1 2.82Å; L112-H115 CarbonylContact O-C 3.12Å; L112-H115 PolarHBondContact O-N 2.89Å; L112-H115 VanDerWaalsContact O-N 3.11Å; R113-H115 PolarHBondContact O-N 3.02Å; H115-V219 HydrophobicContact CB-CB 4.37Å; H115-V219 HydrophobicContact CB-CG1 3.76Å; H115-V219 HydrophobicContact CB-CG2 3.63Å
116G88.4Confident91.5Very high50 Ų5027.6 Ų27.652%0.51514%0.139SC..THydrogen-bonded Turntrans79.513174.200000115.4L112 R113 Y114L112-G116 PolarHBondContact O-N 3.23Å; R113-G116 PolarHBondContact O-N 2.89Å; Y114-G116 VanDerWaalsContact C-N 3.32Å; Y114-G116 PolarHBondContact O-N 2.98Å
117V94Very high91.5Very high9 Ų929.5 Ų29.56%0.05515%0.149CC..  trans-86.1128.8171.1-178.70000108.6K5 V7 L112 R113 T217 V219K5-V117 HydrophobicContact CB-CG1 4.47Å; V7-V117 HydrophobicContact CG2-CG1 3.96Å; L112-V117 CarbonylContact C-O 3.47Å; L112-V117 HydrophobicContact CB-CB 4.03Å; L112-V117 HydrophobicContact CB-CG1 4.34Å; L112-V117 HydrophobicContact CD2-CB 4.2Å; L112-V117 HydrophobicContact CD2-CG1 4.2Å; L112-V117 HydrophobicContact CD2-CG2 4.25Å; L112-V117 WeakPolarHBondContact O-CB 3.2Å; L112-V117 PolarHBondContact O-N 2.83Å; R113-V117 WeakPolarHBondContact CA-O 3.49Å; V117-T217 HydrophobicContact CG1-CG2 4.03Å; V117-T217 HydrophobicContact CG2-CG2 4.34Å; V117-V219 HydrophobicContact CG2-CG2 3.96Å
118L96.5Very high91.5Very high27 Ų2726 Ų2614%0.14114%0.136CC..EExtended strand (participates in β ladder)trans-72.7142.5176.4-63.4173.7000110K5 A6 V7 N148 L173K5-L118 PolarHBondContact O-N 2.98Å; A6-L118 CarbonylContact C-O 3.58Å; A6-L118 WeakPolarHBondContact CA-O 3.5Å; A6-L118 HydrophobicContact CB-CB 3.95Å; V7-L118 PolarHBondContact N-O 3.44Å; L118-N148 WeakPolarHBondContact CA-OD1 3.46Å; L118-N148 HydrophobicContact CD2-CB 4.41Å; L118-L173 HydrophobicContact CB-CD2 4.31Å; L118-L173 HydrophobicContact CD1-CB 4.24Å; L118-L173 HydrophobicContact CD1-CD2 4.39Å
119T96.8Very high91.4Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-128.7143.2177.164.30000111.5V7 F9 S109 L112 R113 N148 L149V7-T119 VanDerWaalsContact O-CA 3.28Å; V7-T119 WeakPolarHBondContact O-CA 3.38Å; F9-T119 HydrophobicContact CE2-CG2 4.47Å; S109-T119 WeakPolarHBondContact OG-CB 3.4Å; S109-T119 PolarHBondContact OG-OG1 3.27Å; L112-T119 HydrophobicContact CB-CG2 3.77Å; L112-T119 HydrophobicContact CD1-CG2 4.01Å; R113-T119 WeakPolarHBondContact CD-OG1 3.27Å; R113-T119 HydrophobicContact CG-CG2 4.05Å; R113-T119 WeakPolarHBondContact CG-OG1 3.11Å; T119-N148 PolarHBondContact N-OD1 3.27Å; T119-N148 WeakPolarHBondContact O-CA 3.3Å; T119-N148 VanDerWaalsContact O-CB 3.3Å; T119-N148 WeakPolarHBondContact O-CB 3.31Å; T119-N148 PolarHBondContact O-N 3.47Å; T119-L149 PolarHBondContact O-N 3.11Å
120A97.9Very high91Very high0 Ų030.5 Ų30.50%016%0.162CC..EExtended strand (participates in β ladder)trans-145.3152.5176.500000113.4V7 L8 F9 L149 L173V7-A120 PolarHBondContact O-N 3.22Å; L8-A120 CarbonylContact C-O 2.92Å; L8-A120 WeakPolarHBondContact CA-O 3.43Å; L8-A120 HydrophobicContact CG-CB 4.18Å; F9-A120 WeakPolarHBondContact CD2-O 3.28Å; F9-A120 PolarHBondContact N-O 3.16Å; A120-L149 CarbonylContact C-O 3.57Å; A120-L149 WeakPolarHBondContact CA-O 3.42Å; A120-L149 HydrophobicContact CB-CB 3.76Å; A120-L149 HydrophobicContact CB-CD2 4.32Å; A120-L149 HydrophobicContact CB-CG 4.26Å; A120-L149 WeakPolarHBondContact CB-O 3.12Å; A120-L173 HydrophobicContact CB-CD1 4.01Å
121V97.9Very high90.6Very high0 Ų035.1 Ų35.10%020%0.2CC..EExtended strand (participates in β ladder)trans-110.8131170.9178.90000108.8F9 F11 V15 F147 L149 L151F9-V121 WeakPolarHBondContact O-CA 3.37Å; F11-V121 HydrophobicContact CB-CG1 3.84Å; F11-V121 HydrophobicContact CD2-CG1 4.04Å; F11-V121 HydrophobicContact CG-CG1 4.42Å; V15-V121 HydrophobicContact CG2-CG1 4.01Å; V15-V121 HydrophobicContact CG2-CG2 3.77Å; V121-F147 HydrophobicContact CG2-CB 4.45Å; V121-F147 HydrophobicContact CG2-CD1 3.6Å; V121-F147 HydrophobicContact CG2-CD2 3.51Å; V121-F147 HydrophobicContact CG2-CE1 3.55Å; V121-F147 HydrophobicContact CG2-CE2 3.48Å; V121-F147 VanDerWaalsContact CG2-CE2 3.48Å; V121-F147 HydrophobicContact CG2-CG 3.59Å; V121-F147 HydrophobicContact CG2-CZ 3.49Å; V121-F147 VanDerWaalsContact CG2-CZ 3.49Å; V121-L149 PolarHBondContact N-O 3.5Å; V121-L151 PolarHBondContact O-N 3.32Å
122L97.2Very high89.5Confident0 Ų037.2 Ų37.20%022%0.215CC..EExtended strand (participates in β ladder)trans-106.9117.2170.7-66.390.1000108L8 F9 N10 F11 L151 V160 M165 F166 A169 W182L8-L122 HydrophobicContact CB-CD1 3.69Å; L8-L122 HydrophobicContact CD2-CD1 3.66Å; L8-L122 HydrophobicContact CG-CD1 3.8Å; F9-L122 PolarHBondContact O-N 3.45Å; N10-L122 PolarHBondContact OD1-O 2.94Å; F11-L122 PolarHBondContact N-O 3.42Å; L122-L151 HydrophobicContact CD2-CD2 4.39Å; L122-V160 HydrophobicContact CB-CG2 4Å; L122-M165 HydrophobicContact CB-CE 3.99Å; L122-M165 HydrophobicContact CD2-CE 4.16Å; L122-M165 HydrophobicContact CD2-CG 3.82Å; L122-M165 HydrophobicContact CD2-SD 4.47Å; L122-M165 HydrophobicContact CG-CE 4.32Å; L122-F166 HydrophobicContact CD2-CD1 4.34Å; L122-A169 HydrophobicContact CD1-CB 4.41Å; L122-A169 HydrophobicContact CD2-CB 3.9Å; L122-A169 HydrophobicContact CG-CB 4.36Å; L122-W182 HydrophobicContact CB-CH2 3.92Å; L122-W182 HydrophobicContact CB-CZ3 4.06Å; L122-W182 HydrophobicContact CD1-CE3 4.18Å; L122-W182 HydrophobicContact CD1-CH2 4.17Å; L122-W182 HydrophobicContact CD1-CZ3 3.44Å; L122-W182 VanDerWaalsContact CD1-CZ3 3.44Å; L122-W182 HydrophobicContact CG-CH2 4.5Å; L122-W182 HydrophobicContact CG-CZ3 4.22Å
123A93.9Very high88.2Confident5 Ų539.7 Ų39.74%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-118.6117.2-172.800000110.8F11 H125 L151 S153F11-A123 HydrophobicContact CB-CB 3.63Å; F11-A123 HydrophobicContact CD1-CB 4.38Å; F11-A123 HydrophobicContact CD2-CB 4.48Å; F11-A123 HydrophobicContact CG-CB 3.91Å; A123-H125 HydrophobicContact CB-CB 4.26Å; A123-H125 PolarHBondContact O-N 3.34Å; A123-H125 VanDerWaalsContact O-N 3.11Å; A123-L151 PolarHBondContact N-O 3.38Å; A123-S153 PolarHBondContact O-N 2.78Å; A123-S153 PolarHBondContact O-OG 2.76Å
124N93.4Very high87.3Confident15 Ų1541.7 Ų41.78%0.0826%0.256CS..  trans-70.7101.4161.3-73.20.3000107.8W12 E53 S153 R159 V160W12-N124 PolarHBondContact NE1-O 3.3Å; E53-N124 HydrophobicContact CG-CB 4.43Å; N124-S153 WeakPolarHBondContact CA-OG 3.11Å; N124-R159 PolarHBondContact ND2-NH2 3.2Å; N124-R159 WeakPolarHBondContact OD1-CA 3.36Å; N124-R159 WeakPolarHBondContact OD1-CB 3.4Å; N124-V160 PolarHBondContact ND2-O 3.35Å; N124-V160 PolarHBondContact OD1-N 3.06Å
125H89.8Confident86.9Confident10 Ų1039.5 Ų39.55%0.04625%0.253CS..  trans-142.6157.4-168.3-161.4-141.8000110.4E53 M98 A123 Q152 S153 C154E53-H125 WeakPolarHBondContact CA-O 3.31Å; M98-H125 WeakPolarHBondContact CE-NE2 3.49Å; A123-H125 HydrophobicContact CB-CB 4.26Å; A123-H125 PolarHBondContact O-N 3.34Å; A123-H125 VanDerWaalsContact O-N 3.11Å; H125-Q152 PolarHBondContact ND1-OE1 3.47Å; H125-S153 PolarHBondContact N-OG 3.18Å; H125-S153 PolarHBondContact O-OG 3.29Å; H125-C154 WeakPolarHBondContact O-CB 3.42Å; H125-C154 PolarHBondContact O-N 2.84Å
126W90.5Very high86.5Confident9 Ų936 Ų363%0.03424%0.239CC..  trans-114.9169.8-17951.679.9000111.4L49 A52 V94 M98 D128L49-W126 HydrophobicContact CD1-CE3 4.3Å; L49-W126 HydrophobicContact CD1-CZ3 4.23Å; A52-W126 HydrophobicContact CB-CB 3.98Å; V94-W126 HydrophobicContact CG1-CH2 3.81Å; M98-W126 HydrophobicContact SD-CH2 4.37Å; M98-W126 HydrophobicContact SD-CZ2 4.23Å; W126-D128 PolarHBondContact O-N 3.12Å
127L90.7Very high85.9Confident60 Ų6036.1 Ų36.131%0.31424%0.236SC..BIsolated β-bridgetrans-81.5109.2171.2-63.9174.5000109.2T58 L59 D129 C154T58-L127 HydrophobicContact CG2-CB 4.48Å; L59-L127 WeakPolarHBondContact CB-O 3.4Å; L59-L127 PolarHBondContact N-O 2.92Å; L127-D129 PolarHBondContact O-N 2.93Å; L127-C154 HydrophobicContact CD2-CB 4.27Å; L127-C154 HydrophobicContact CG-CB 4.07Å
128D87.7Confident85.2Confident46 Ų4642.7 Ų42.725%0.24626%0.259CS..  trans-83.4105.6174.8-162.2-28.8000110.3L59 W126 S130L59-D128 HydrophobicContact CD2-CB 4.2Å; L59-D128 VanDerWaalsContact CD2-OD1 3.24Å; L59-D128 WeakPolarHBondContact CD2-OD1 3.43Å; L59-D128 VanDerWaalsContact CD2-OD2 3.31Å; L59-D128 WeakPolarHBondContact CD2-OD2 3.06Å; W126-D128 PolarHBondContact O-N 3.12Å; D128-S130 VanDerWaalsContact OD1-CB 3.26Å; D128-S130 WeakPolarHBondContact OD1-CB 3.41Å; D128-S130 PolarHBondContact OD1-N 3.08Å; D128-S130 PolarHBondContact OD1-OG 3.41Å
129D88.8Confident84.7Confident70 Ų7041.6 Ų41.637%0.37425%0.253SS..  trans-108.617.3175.566.8-31.2000111.9T58 L59 N60 L127T58-D129 VanDerWaalsContact CB-OD1 3.31Å; T58-D129 WeakPolarHBondContact CB-OD1 3.47Å; T58-D129 WeakPolarHBondContact CB-OD2 3.39Å; T58-D129 HydrophobicContact CG2-CB 4.45Å; T58-D129 PolarHBondContact OG1-OD1 3.44Å; T58-D129 PolarHBondContact OG1-OD2 3.21Å; L59-D129 PolarHBondContact N-OD1 3.31Å; N60-D129 WeakPolarHBondContact CB-OD1 3.45Å; N60-D129 PolarHBondContact N-OD1 3Å; N60-D129 PolarHBondContact ND2-O 3.33Å; N60-D129 PolarHBondContact ND2-OD1 3.21Å; N60-D129 PolarHBondContact ND2-OD2 2.81Å; N60-D129 VanDerWaalsContact ND2-OD2 3.14Å; L127-D129 PolarHBondContact O-N 2.93Å
130S83.3Confident84.1Confident27 Ų2744 Ų4419%0.18927%0.266CS..SBendtrans-77158.817970.40000111.2D128 S132D128-S130 VanDerWaalsContact OD1-CB 3.26Å; D128-S130 WeakPolarHBondContact OD1-CB 3.41Å; D128-S130 PolarHBondContact OD1-N 3.08Å; D128-S130 PolarHBondContact OD1-OG 3.41Å; S130-S132 PolarHBondContact O-N 2.95Å; S130-S132 VanDerWaalsContact O-N 3.08Å; S130-S132 VanDerWaalsContact OG-CB 3.31Å; S130-S132 WeakPolarHBondContact OG-CB 3.34Å; S130-S132 PolarHBondContact OG-N 2.56Å; S130-S132 PolarHBondContact OG-OG 2.68Å
131A78.9Confident83.3Confident115 Ų11548.1 Ų48.195%0.9529%0.294SS*.SBendtrans-74.814.3171.400000112.7
132S63.8Low82.7Confident43 Ų4350.7 Ų50.730%0.30131%0.308SS..  trans-65.7151.7175.567.40000109.7S130S130-S132 PolarHBondContact O-N 2.95Å; S130-S132 VanDerWaalsContact O-N 3.08Å; S130-S132 VanDerWaalsContact OG-CB 3.31Å; S130-S132 WeakPolarHBondContact OG-CB 3.34Å; S130-S132 PolarHBondContact OG-N 2.56Å; S130-S132 PolarHBondContact OG-OG 2.68Å
133G63.2Low82.3Confident53 Ų5350.8 Ų50.855%0.54631%0.308SS..  trans-63.7-171.7-172.500000114D135 P136G133-D135 PolarHBondContact O-N 3.45Å; G133-P136 WeakPolarHBondContact O-CD 3.37Å
134D71.1Confident81.9Confident110 Ų11052.7 Ų52.759%0.58833%0.328SS*.SBendtrans-68.98.5-172.6-60.7-28.6000115.6A137 R138D134-A137 WeakPolarHBondContact O-CB 3.36Å; D134-A137 PolarHBondContact O-N 3.22Å; D134-R138 HydrophobicContact CB-CG 4.46Å; D134-R138 VanDerWaalsContact O-CG 3.28Å; D134-R138 WeakPolarHBondContact O-CG 3.21Å; D134-R138 PolarHBondContact O-N 3.45Å
135D75.3Confident81.3Confident81 Ų8154.5 Ų54.543%0.43334%0.342SS..Hα-helixtrans-64.6-46-169.7-67.8-24.1000114.2M99 G133 A137 R138 L139M99-D135 HydrophobicContact SD-CB 4.36Å; G133-D135 PolarHBondContact O-N 3.45Å; D135-A137 VanDerWaalsContact C-N 3.27Å; D135-A137 PolarHBondContact O-N 3.43Å; D135-R138 WeakPolarHBondContact O-CB 3.49Å; D135-R138 PolarHBondContact O-N 3.38Å; D135-R138 IonicContact OD1-NH1 3.92Å; D135-R138 PolarHBondContact OD1-NH1 3.43Å; D135-L139 PolarHBondContact O-N 3.22Å
136P76.7Confident81.2Confident25 Ų2554.8 Ų54.816%0.16234%0.343CS..Hα-helixtrans-59.9-37.8173.3-23.134.1000112.5G133 L139 L140G133-P136 WeakPolarHBondContact O-CD 3.37Å; P136-L139 PolarHBondContact O-N 2.96Å; P136-L140 WeakPolarHBondContact O-CG 3.33Å; P136-L140 PolarHBondContact O-N 3.27Å; P136-L140 VanDerWaalsContact O-N 3.1Å
137A77.5Confident81.3Confident54 Ų5454.5 Ų54.545%0.44634%0.343SS..Hα-helixtrans-67-41.5176.400000111.4D134 D135 L139 L140 C141D134-A137 WeakPolarHBondContact O-CB 3.36Å; D134-A137 PolarHBondContact O-N 3.22Å; D135-A137 VanDerWaalsContact C-N 3.27Å; D135-A137 PolarHBondContact O-N 3.43Å; A137-L139 PolarHBondContact O-N 3.11Å; A137-L140 PolarHBondContact O-N 2.8Å; A137-C141 PolarHBondContact O-N 3.26Å; A137-C141 PolarHBondContact O-SG 2.91Å; A137-C141 VanDerWaalsContact O-SG 3.35Å
138R79.1Confident81.4Confident147 Ų14755.3 Ų55.356%0.55535%0.347SS*.Hα-helixtrans-60.7-42.8175-74.6168.1174.1-178-4.7112D134 D135 C141 L142D134-R138 HydrophobicContact CB-CG 4.46Å; D134-R138 VanDerWaalsContact O-CG 3.28Å; D134-R138 WeakPolarHBondContact O-CG 3.21Å; D134-R138 PolarHBondContact O-N 3.45Å; D135-R138 WeakPolarHBondContact O-CB 3.49Å; D135-R138 PolarHBondContact O-N 3.38Å; D135-R138 IonicContact OD1-NH1 3.92Å; D135-R138 PolarHBondContact OD1-NH1 3.43Å; R138-C141 PolarHBondContact O-N 3.06Å; R138-L142 WeakPolarHBondContact O-CB 3.45Å; R138-L142 PolarHBondContact O-N 3.01Å
139L84.6Confident81.8Confident3 Ų354.2 Ų54.22%0.01634%0.341CS..Hα-helixtrans-59.4-49.3175177.163.2000111.4F11 M98 M99 V101 D135 P136 A137 C141 L142 L143F11-L139 HydrophobicContact CE2-CD1 4.38Å; F11-L139 HydrophobicContact CE2-CD2 4.18Å; F11-L139 HydrophobicContact CZ-CD2 3.79Å; M98-L139 HydrophobicContact CB-CD2 3.96Å; M98-L139 HydrophobicContact CE-CD2 3.78Å; M99-L139 HydrophobicContact CE-CB 3.94Å; M99-L139 HydrophobicContact CE-CD1 4.26Å; M99-L139 HydrophobicContact SD-CB 3.8Å; M99-L139 HydrophobicContact SD-CD2 4.42Å; M99-L139 HydrophobicContact SD-CG 4.48Å; V101-L139 HydrophobicContact CG2-CD1 3.45Å; V101-L139 VanDerWaalsContact CG2-CD1 3.45Å; D135-L139 PolarHBondContact O-N 3.22Å; P136-L139 PolarHBondContact O-N 2.96Å; A137-L139 PolarHBondContact O-N 3.11Å; L139-C141 VanDerWaalsContact C-N 3.31Å; L139-C141 PolarHBondContact O-N 3.35Å; L139-L142 WeakPolarHBondContact O-CB 3.4Å; L139-L142 PolarHBondContact O-N 3.34Å; L139-L143 HydrophobicContact CD1-CD1 4.21Å; L139-L143 HydrophobicContact CD1-CG 4.21Å; L139-L143 HydrophobicContact CG-CD1 4.22Å; L139-L143 WeakPolarHBondContact O-CG 3.26Å; L139-L143 PolarHBondContact O-N 2.95Å
140L84.5Confident82.2Confident52 Ų5252.3 Ų52.327%0.27233%0.332SS..Hα-helixtrans-62.7-38.5179-69176.6000112P136 A137 L143 G144 V150 Q152P136-L140 WeakPolarHBondContact O-CG 3.33Å; P136-L140 PolarHBondContact O-N 3.27Å; P136-L140 VanDerWaalsContact O-N 3.1Å; A137-L140 PolarHBondContact O-N 2.8Å; L140-L143 PolarHBondContact O-N 2.8Å; L140-G144 PolarHBondContact O-N 3.23Å; L140-V150 HydrophobicContact CD2-CG1 4.32Å; L140-Q152 HydrophobicContact CD2-CG 4.19Å
141C81.3Confident82.7Confident85 Ų8551.5 Ų51.557%0.57433%0.325SS*.Hα-helixtrans-62.8-43.3172.9-73.80000112.3A137 R138 L139 S145A137-C141 PolarHBondContact O-N 3.26Å; A137-C141 PolarHBondContact O-SG 2.91Å; A137-C141 VanDerWaalsContact O-SG 3.35Å; R138-C141 PolarHBondContact O-N 3.06Å; L139-C141 VanDerWaalsContact C-N 3.31Å; L139-C141 PolarHBondContact O-N 3.35Å; C141-S145 WeakPolarHBondContact O-CB 3.31Å; C141-S145 PolarHBondContact O-N 3.17Å; C141-S145 PolarHBondContact O-OG 3.26Å
142L84.6Confident83.5Confident55 Ų5547.4 Ų47.429%0.28829%0.287SS..Hα-helixtrans-60.2-50.6176.6176.764.9000110.7V101 L106 R138 L139 S145 N146V101-L142 HydrophobicContact CB-CD2 4.24Å; V101-L142 HydrophobicContact CG1-CD2 4.44Å; V101-L142 HydrophobicContact CG2-CD2 4.17Å; L106-L142 HydrophobicContact CD1-CD1 4.16Å; L106-L142 HydrophobicContact CD1-CD2 4.31Å; L106-L142 HydrophobicContact CD1-CG 4.37Å; R138-L142 WeakPolarHBondContact O-CB 3.45Å; R138-L142 PolarHBondContact O-N 3.01Å; L139-L142 WeakPolarHBondContact O-CB 3.4Å; L139-L142 PolarHBondContact O-N 3.34Å; L142-S145 PolarHBondContact O-N 3.27Å; L142-N146 PolarHBondContact O-N 2.95Å; L142-N146 PolarHBondContact O-ND2 3.26Å
143L89.9Confident85Confident2 Ų245.3 Ų45.31%0.0127%0.272CS..Hα-helixtrans-65.6-45.8179.3-62.1178.2000111.4F11 V15 V101 L139 L140 S145 N146 F147 V150F11-L143 HydrophobicContact CD2-CD1 4.03Å; F11-L143 HydrophobicContact CE2-CD1 3.83Å; V15-L143 HydrophobicContact CG1-CD2 3.74Å; V101-L143 HydrophobicContact CG1-CD2 4.43Å; L139-L143 HydrophobicContact CD1-CD1 4.21Å; L139-L143 HydrophobicContact CD1-CG 4.21Å; L139-L143 HydrophobicContact CG-CD1 4.22Å; L139-L143 WeakPolarHBondContact O-CG 3.26Å; L139-L143 PolarHBondContact O-N 2.95Å; L140-L143 PolarHBondContact O-N 2.8Å; L143-S145 PolarHBondContact O-N 3.29Å; L143-N146 PolarHBondContact O-N 2.96Å; L143-F147 HydrophobicContact CB-CD2 4.39Å; L143-F147 HydrophobicContact CD2-CD2 4.31Å; L143-F147 HydrophobicContact CD2-CE2 3.91Å; L143-F147 WeakPolarHBondContact O-CD2 3.24Å; L143-F147 PolarHBondContact O-N 3.5Å; L143-V150 HydrophobicContact CB-CG1 4.3Å; L143-V150 HydrophobicContact CB-CG2 3.59Å; L143-V150 HydrophobicContact CD1-CG1 4.22Å
144G86.3Confident86.5Confident45 Ų4543.3 Ų43.346%0.46425%0.25SC..Hα-helixtrans-60.7-28.317900000113.5L140L140-G144 PolarHBondContact O-N 3.23Å
145S80Confident87.6Confident52 Ų5244.1 Ų44.136%0.36425%0.25SC..Hα-helixtrans-76.4-29.6174.7-570000112.6R113 C141 L142 L143 I229R113-S145 PolarHBondContact NH1-O 3.26Å; C141-S145 WeakPolarHBondContact O-CB 3.31Å; C141-S145 PolarHBondContact O-N 3.17Å; C141-S145 PolarHBondContact O-OG 3.26Å; L142-S145 PolarHBondContact O-N 3.27Å; L143-S145 PolarHBondContact O-N 3.29Å; S145-I229 WeakPolarHBondContact O-CD1 3.45Å
146N87.7Confident88.4Confident16 Ų1641.8 Ų41.89%0.08624%0.239CC..Hα-helixtrans-97.1-22.1-172.9-78.6-89.5000114.2L106 S109 R113 L142 L143 I229L106-N146 HydrophobicContact CD2-CB 3.81Å; S109-N146 PolarHBondContact OG-O 3.03Å; R113-N146 VanDerWaalsContact CD-O 3.24Å; R113-N146 WeakPolarHBondContact CD-O 3.23Å; R113-N146 PolarHBondContact NH1-O 2.84Å; R113-N146 VanDerWaalsContact NH1-O 3.11Å; L142-N146 PolarHBondContact O-N 2.95Å; L142-N146 PolarHBondContact O-ND2 3.26Å; L143-N146 PolarHBondContact O-N 2.96Å; N146-I229 HydrophobicContact CB-CD1 4.43Å; N146-I229 VanDerWaalsContact OD1-CD1 3.32Å; N146-I229 WeakPolarHBondContact OD1-CD1 3.45Å
147F92.8Very high89.2Confident4 Ų441.9 Ų41.92%0.01825%0.245CC..SBendtrans-120153.2-177.6-63.1-90.2000111.6F9 V15 V105 L106 S109 V121 L143 L149 V150F9-F147 HydrophobicContact CD2-CD1 4.32Å; F9-F147 AromaticContact CD2-CE1 3.65Å; F9-F147 HydrophobicContact CD2-CE1 3.65Å; F9-F147 AromaticContact CE2-CE1 3.92Å; F9-F147 HydrophobicContact CE2-CE1 3.92Å; F9-F147 HydrophobicContact CG-CE1 4.39Å; V15-F147 HydrophobicContact CG2-CZ 4.37Å; V105-F147 HydrophobicContact CG1-CZ 4.09Å; L106-F147 HydrophobicContact CD2-CE2 3.83Å; L106-F147 HydrophobicContact CD2-CZ 4.38Å; S109-F147 VanDerWaalsContact OG-CD1 3.28Å; S109-F147 WeakPolarHBondContact OG-CD1 3.12Å; S109-F147 WeakPolarHBondContact OG-CE1 3.49Å; V121-F147 HydrophobicContact CG2-CB 4.45Å; V121-F147 HydrophobicContact CG2-CD1 3.6Å; V121-F147 HydrophobicContact CG2-CD2 3.51Å; V121-F147 HydrophobicContact CG2-CE1 3.55Å; V121-F147 HydrophobicContact CG2-CE2 3.48Å; V121-F147 VanDerWaalsContact CG2-CE2 3.48Å; V121-F147 HydrophobicContact CG2-CG 3.59Å; V121-F147 HydrophobicContact CG2-CZ 3.49Å; V121-F147 VanDerWaalsContact CG2-CZ 3.49Å; L143-F147 HydrophobicContact CB-CD2 4.39Å; L143-F147 HydrophobicContact CD2-CD2 4.31Å; L143-F147 HydrophobicContact CD2-CE2 3.91Å; L143-F147 WeakPolarHBondContact O-CD2 3.24Å; L143-F147 PolarHBondContact O-N 3.5Å; F147-L149 VanDerWaalsContact C-N 3.27Å; F147-V150 HydrophobicContact CB-CG2 4.39Å
148N93.3Very high90Very high76 Ų7642.5 Ų42.541%0.40624%0.238SC..SBendtrans-69.9-28.3172.8-6399.9000112.3R113 L118 T119 L173R113-N148 WeakPolarHBondContact CG-OD1 3.18Å; L118-N148 WeakPolarHBondContact CA-OD1 3.46Å; L118-N148 HydrophobicContact CD2-CB 4.41Å; T119-N148 PolarHBondContact N-OD1 3.27Å; T119-N148 WeakPolarHBondContact O-CA 3.3Å; T119-N148 VanDerWaalsContact O-CB 3.3Å; T119-N148 WeakPolarHBondContact O-CB 3.31Å; T119-N148 PolarHBondContact O-N 3.47Å; N148-L173 HydrophobicContact CB-CD2 4.15Å
149L95.6Very high90.8Very high23 Ų2338 Ų3812%0.1222%0.221CC..EExtended strand (participates in β ladder)trans-144.2135.1179.5173.965.2000110.8T119 A120 V121 F147 L151 A169 Q172 L173T119-L149 PolarHBondContact O-N 3.11Å; A120-L149 CarbonylContact C-O 3.57Å; A120-L149 WeakPolarHBondContact CA-O 3.42Å; A120-L149 HydrophobicContact CB-CB 3.76Å; A120-L149 HydrophobicContact CB-CD2 4.32Å; A120-L149 HydrophobicContact CB-CG 4.26Å; A120-L149 WeakPolarHBondContact CB-O 3.12Å; V121-L149 PolarHBondContact N-O 3.5Å; F147-L149 VanDerWaalsContact C-N 3.27Å; L149-L151 HydrophobicContact CD2-CB 4.37Å; L149-L151 HydrophobicContact CG-CB 4.3Å; L149-A169 HydrophobicContact CD2-CB 4.11Å; L149-Q172 VanDerWaalsContact CD1-OE1 3.23Å; L149-Q172 HydrophobicContact CD2-CB 3.99Å; L149-L173 HydrophobicContact CB-CD2 3.94Å; L149-L173 HydrophobicContact CB-CG 4.47Å; L149-L173 HydrophobicContact CD2-CD2 4.42Å; L149-L173 HydrophobicContact CD2-CG 4.07Å
150V96Very high91.2Very high30 Ų3038.1 Ų38.118%0.18222%0.223CC..EExtended strand (participates in β ladder)trans-119.3100.3166.7-177.50000107L140 L143 F147L140-V150 HydrophobicContact CD2-CG1 4.32Å; L143-V150 HydrophobicContact CB-CG1 4.3Å; L143-V150 HydrophobicContact CB-CG2 3.59Å; L143-V150 HydrophobicContact CD1-CG1 4.22Å; F147-V150 HydrophobicContact CB-CG2 4.39Å
151L95.7Very high91.7Very high10 Ų1037.5 Ų37.55%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-93.7110.5-177.3-170.164.2000109.8V121 L122 A123 L149 M165 A169V121-L151 PolarHBondContact O-N 3.32Å; L122-L151 HydrophobicContact CD2-CD2 4.39Å; A123-L151 PolarHBondContact N-O 3.38Å; L149-L151 HydrophobicContact CD2-CB 4.37Å; L149-L151 HydrophobicContact CG-CB 4.3Å; L151-M165 HydrophobicContact CB-CE 4.06Å; L151-M165 HydrophobicContact CD2-CE 3.78Å; L151-M165 HydrophobicContact CD2-SD 3.57Å; L151-M165 VanDerWaalsContact CD2-SD 3.57Å; L151-M165 HydrophobicContact CG-CE 3.66Å; L151-M165 HydrophobicContact CG-SD 3.96Å; L151-M165 VanDerWaalsContact O-CE 3.28Å; L151-M165 WeakPolarHBondContact O-CE 3.42Å; L151-A169 HydrophobicContact CD2-CB 3.85Å
152Q95.2Very high92.3Very high29 Ų2936 Ų3614%0.13621%0.206CC..EExtended strand (participates in β ladder)trans-93.4127.5178.2-62.3179.775.200110.2H125 L140 C154 H155 S156H125-Q152 PolarHBondContact ND1-OE1 3.47Å; L140-Q152 HydrophobicContact CD2-CG 4.19Å; Q152-C154 PolarHBondContact O-N 2.91Å; Q152-H155 PolarHBondContact O-N 3.11Å; Q152-S156 PolarHBondContact O-N 3.11Å
153S95.9Very high92.7Very high0 Ų038.9 Ų38.90%022%0.217CC..Hα-helixtrans-58.6-33-178.162.40000113.2E53 A123 N124 H125 H155 S156 G157 H158E53-S153 CarbonylContact O-C 3.53Å; E53-S153 WeakPolarHBondContact O-CB 3.46Å; E53-S153 PolarHBondContact O-OG 2.57Å; A123-S153 PolarHBondContact O-N 2.78Å; A123-S153 PolarHBondContact O-OG 2.76Å; N124-S153 WeakPolarHBondContact CA-OG 3.11Å; H125-S153 PolarHBondContact N-OG 3.18Å; H125-S153 PolarHBondContact O-OG 3.29Å; S153-H155 PolarHBondContact O-N 2.74Å; S153-S156 WeakPolarHBondContact CA-OG 3.49Å; S153-S156 PolarHBondContact O-N 2.9Å; S153-S156 PolarHBondContact O-OG 2.86Å; S153-G157 WeakPolarHBondContact O-CA 3.36Å; S153-G157 PolarHBondContact O-N 3.26Å; S153-H158 WeakPolarHBondContact CA-O 3.26Å; S153-H158 WeakPolarHBondContact CB-O 3.38Å
154C94.5Very high92.9Very high10 Ų1040.2 Ų40.27%0.06823%0.228CC..Hα-helixtrans-67-23.4179.7550000113.5E53 G55 H125 L127 Q152E53-C154 VanDerWaalsContact O-CA 3.25Å; E53-C154 WeakPolarHBondContact O-CA 3.26Å; E53-C154 PolarHBondContact O-N 2.97Å; G55-C154 VanDerWaalsContact CA-O 3.28Å; G55-C154 WeakPolarHBondContact CA-O 3.4Å; H125-C154 WeakPolarHBondContact O-CB 3.42Å; H125-C154 PolarHBondContact O-N 2.84Å; L127-C154 HydrophobicContact CD2-CB 4.27Å; L127-C154 HydrophobicContact CG-CB 4.07Å; Q152-C154 PolarHBondContact O-N 2.91Å
155H92.9Very high93.3Very high128 Ų12838 Ų3859%0.59321%0.206SC*.Hα-helixtrans-93.1-34.1176.6-66.9102.1000112Q152 S153Q152-H155 PolarHBondContact O-N 3.11Å; S153-H155 PolarHBondContact O-N 2.74Å
156S92.4Very high94.1Very high31 Ų3135.6 Ų35.622%0.21719%0.188CC..Hα-helixtrans-81.9-19.917865.50000113.4Q152 S153 H158 M165Q152-S156 PolarHBondContact O-N 3.11Å; S153-S156 WeakPolarHBondContact CA-OG 3.49Å; S153-S156 PolarHBondContact O-N 2.9Å; S153-S156 PolarHBondContact O-OG 2.86Å; S156-H158 PolarHBondContact O-CD2 2.77Å; S156-H158 VanDerWaalsContact O-CD2 3.22Å; S156-H158 PolarHBondContact O-N 3.19Å; S156-H158 PolarHBondContact OG-N 2.71Å; S156-H158 PolarHBondContact OG-O 3.33Å; S156-H158 VanDerWaalsContact OG-O 3.1Å; S156-M165 PolarHBondContact OG-SD 3.31Å
157G94.4Very high94.4Very high27 Ų2737.1 Ų37.128%0.27820%0.197SC..SBendtrans75.22.3-173.400000114.2S153S153-G157 WeakPolarHBondContact O-CA 3.36Å; S153-G157 PolarHBondContact O-N 3.26Å
158H94.3Very high94.6Very high67 Ų6738.4 Ų38.431%0.3121%0.206SC..  trans-125.1142.3-176.3-60.5-59.4000110.1S153 S156 E162 A164 M165S153-H158 WeakPolarHBondContact CA-O 3.26Å; S153-H158 WeakPolarHBondContact CB-O 3.38Å; S156-H158 PolarHBondContact O-CD2 2.77Å; S156-H158 VanDerWaalsContact O-CD2 3.22Å; S156-H158 PolarHBondContact O-N 3.19Å; S156-H158 PolarHBondContact OG-N 2.71Å; S156-H158 PolarHBondContact OG-O 3.33Å; S156-H158 VanDerWaalsContact OG-O 3.1Å; H158-E162 WeakPolarHBondContact CA-OE2 3.38Å; H158-E162 IonicContact ND1-OE2 3.64Å; H158-A164 HydrophobicContact CB-CB 4.16Å; H158-A164 VanDerWaalsContact CG-CB 3.49Å; H158-M165 HydrophobicContact CB-CB 3.98Å; H158-M165 HydrophobicContact CB-SD 4.44Å
159R94.1Very high94.7Very high52 Ų5234.8 Ų34.820%0.19619%0.187CC..  trans-117154.9-178.165-173.4-61.1-85.91.5110.6E53 N124 E162E53-R159 IonicContact OE2-CZ 2.64Å; E53-R159 IonicContact OE2-NE 3.34Å; E53-R159 PolarHBondContact OE2-NE 3.42Å; E53-R159 IonicContact OE2-NH2 3.22Å; E53-R159 PolarHBondContact OE2-NH2 3.24Å; N124-R159 PolarHBondContact ND2-NH2 3.2Å; N124-R159 WeakPolarHBondContact OD1-CA 3.36Å; N124-R159 WeakPolarHBondContact OD1-CB 3.4Å; R159-E162 HydrophobicContact CG-CG 4.03Å; R159-E162 PolarHBondContact N-OE2 3.39Å; R159-E162 WeakPolarHBondContact O-CA 3.43Å; R159-E162 WeakPolarHBondContact O-CB 3.49Å; R159-E162 VanDerWaalsContact O-CG 3.32Å; R159-E162 WeakPolarHBondContact O-CG 3.45Å; R159-E162 PolarHBondContact O-N 2.98Å
160V94.4Very high94.7Very high7 Ų734.1 Ų34.14%0.04218%0.183CC..THydrogen-bonded Turntrans-64.5132.8162.9176.50000108L122 N124 M165 F166 W182 S189L122-V160 HydrophobicContact CB-CG2 4Å; N124-V160 PolarHBondContact ND2-O 3.35Å; N124-V160 PolarHBondContact OD1-N 3.06Å; V160-M165 HydrophobicContact CG2-CG 4.01Å; V160-F166 HydrophobicContact CG1-CZ 4.38Å; V160-W182 HydrophobicContact CG1-CZ2 3.95Å; V160-W182 HydrophobicContact CG2-CH2 4.16Å; V160-W182 HydrophobicContact CG2-CZ2 4.21Å; V160-S189 WeakPolarHBondContact CG1-OG 3.44Å
161P94Very high94.7Very high39 Ų3938.8 Ų38.825%0.25321%0.207SC..THydrogen-bonded Turncis-102.428.110.440.8-37.3000115.4F163 A192P161-F163 PolarHBondContact O-N 2.75Å; P161-A192 HydrophobicContact CB-CB 3.93Å; P161-A192 VanDerWaalsContact O-CB 3.3Å; P161-A192 WeakPolarHBondContact O-CB 3.27Å
162E94.5Very high94.7Very high54 Ų5444.1 Ų44.125%0.25223%0.232SC..  trans-64.7132.6179.2-59175.5174.400111.6K54 H158 R159 A164 M165K54-E162 WeakPolarHBondContact CE-OE1 3.24Å; K54-E162 IonicContact NZ-OE1 3.89Å; K54-E162 PolarHBondContact NZ-OE1 3.02Å; K54-E162 IonicContact NZ-OE2 2.64Å; H158-E162 WeakPolarHBondContact CA-OE2 3.38Å; H158-E162 IonicContact ND1-OE2 3.64Å; R159-E162 HydrophobicContact CG-CG 4.03Å; R159-E162 PolarHBondContact N-OE2 3.39Å; R159-E162 WeakPolarHBondContact O-CA 3.43Å; R159-E162 WeakPolarHBondContact O-CB 3.49Å; R159-E162 VanDerWaalsContact O-CG 3.32Å; R159-E162 WeakPolarHBondContact O-CG 3.45Å; R159-E162 PolarHBondContact O-N 2.98Å; E162-A164 PolarHBondContact O-N 2.88Å; E162-A164 VanDerWaalsContact O-N 3.08Å; E162-M165 VanDerWaalsContact O-CB 3.31Å; E162-M165 WeakPolarHBondContact O-CB 3.39Å; E162-M165 PolarHBondContact O-N 3.46Å
163F92.4Very high94.7Very high114 Ų11443.9 Ų43.950%0.523%0.232SC..Hα-helixtrans-50.9-37.3179.8178.1-115.8000113.7P161 M165 F166 N167 A196P161-F163 PolarHBondContact O-N 2.75Å; F163-M165 VanDerWaalsContact C-N 3.26Å; F163-M165 PolarHBondContact O-N 2.81Å; F163-F166 PolarHBondContact O-N 3.49Å; F163-N167 WeakPolarHBondContact CD1-ND2 3.28Å; F163-N167 WeakPolarHBondContact CE1-ND2 3.39Å; F163-N167 WeakPolarHBondContact CZ-ND2 3.33Å; F163-N167 WeakPolarHBondContact CZ-OD1 3.47Å; F163-N167 PolarHBondContact O-N 2.93Å; F163-A196 HydrophobicContact CD2-CB 3.55Å; F163-A196 HydrophobicContact CE2-CB 3.45Å; F163-A196 VanDerWaalsContact CE2-CB 3.45Å
164A94.6Very high94.7Very high30 Ų3047.2 Ų47.225%0.24827%0.266CS..Hα-helixtrans-64.4-27.2179.500000113.7H158 E162 S168H158-A164 HydrophobicContact CB-CB 4.16Å; H158-A164 VanDerWaalsContact CG-CB 3.49Å; E162-A164 PolarHBondContact O-N 2.88Å; E162-A164 VanDerWaalsContact O-N 3.08Å; A164-S168 WeakPolarHBondContact O-CB 3.42Å; A164-S168 PolarHBondContact O-N 3.32Å; A164-S168 PolarHBondContact O-OG 3.34Å
165M95.4Very high94.8Very high0 Ų047.3 Ų47.30%027%0.265CS..Hα-helixtrans-69.1-43.4177-173.555.2174.800110.9L122 L151 S156 H158 V160 E162 F163 S168 A169L122-M165 HydrophobicContact CB-CE 3.99Å; L122-M165 HydrophobicContact CD2-CE 4.16Å; L122-M165 HydrophobicContact CD2-CG 3.82Å; L122-M165 HydrophobicContact CD2-SD 4.47Å; L122-M165 HydrophobicContact CG-CE 4.32Å; L151-M165 HydrophobicContact CB-CE 4.06Å; L151-M165 HydrophobicContact CD2-CE 3.78Å; L151-M165 HydrophobicContact CD2-SD 3.57Å; L151-M165 VanDerWaalsContact CD2-SD 3.57Å; L151-M165 HydrophobicContact CG-CE 3.66Å; L151-M165 HydrophobicContact CG-SD 3.96Å; L151-M165 VanDerWaalsContact O-CE 3.28Å; L151-M165 WeakPolarHBondContact O-CE 3.42Å; S156-M165 PolarHBondContact OG-SD 3.31Å; H158-M165 HydrophobicContact CB-CB 3.98Å; H158-M165 HydrophobicContact CB-SD 4.44Å; V160-M165 HydrophobicContact CG2-CG 4.01Å; E162-M165 VanDerWaalsContact O-CB 3.31Å; E162-M165 WeakPolarHBondContact O-CB 3.39Å; E162-M165 PolarHBondContact O-N 3.46Å; F163-M165 VanDerWaalsContact C-N 3.26Å; F163-M165 PolarHBondContact O-N 2.81Å; M165-S168 PolarHBondContact O-N 3.35Å; M165-A169 PolarHBondContact O-N 3.29Å
166F96.7Very high94.9Very high0 Ų044.2 Ų44.20%026%0.257CS..Hα-helixtrans-64.6-47.2175.7-59.8-67.4000111.9L122 V160 F163 S168 A169 L170 W182 A192 A193 M198L122-F166 HydrophobicContact CD2-CD1 4.34Å; V160-F166 HydrophobicContact CG1-CZ 4.38Å; F163-F166 PolarHBondContact O-N 3.49Å; F166-S168 VanDerWaalsContact C-N 3.33Å; F166-S168 PolarHBondContact O-N 3.35Å; F166-A169 PolarHBondContact O-N 3.41Å; F166-A169 VanDerWaalsContact O-N 3.15Å; F166-L170 WeakPolarHBondContact O-CG 3.36Å; F166-L170 PolarHBondContact O-N 3.1Å; F166-W182 AromaticContact CE1-CD2 3.82Å; F166-W182 HydrophobicContact CE1-CD2 3.82Å; F166-W182 AromaticContact CE1-CE2 3.65Å; F166-W182 HydrophobicContact CE1-CE3 4.29Å; F166-W182 HydrophobicContact CE1-CG 4.17Å; F166-W182 HydrophobicContact CE1-CH2 4.41Å; F166-W182 AromaticContact CE1-CZ2 3.96Å; F166-W182 HydrophobicContact CE1-CZ2 3.96Å; F166-W182 AromaticContact CE1-NE1 3.86Å; F166-W182 HydrophobicContact CZ-CZ2 4.41Å; F166-W182 AromaticContact CZ-NE1 4Å; F166-A192 HydrophobicContact CE2-CB 3.99Å; F166-A193 HydrophobicContact CD1-CB 4.5Å; F166-A193 HydrophobicContact CE1-CB 4.1Å; F166-A193 HydrophobicContact CE2-CB 4.48Å; F166-A193 HydrophobicContact CZ-CB 4.08Å; F166-M198 HydrophobicContact CB-SD 4Å; F166-M198 HydrophobicContact CD1-SD 4Å; F166-M198 HydrophobicContact CG-SD 4.2Å
167N94.4Very high95.1Very high49 Ų4943.7 Ų43.726%0.26225%0.253SS..Hα-helixtrans-59.5-43.5178-70.7-15.6000112.2F163 A169 L170 D171F163-N167 WeakPolarHBondContact CD1-ND2 3.28Å; F163-N167 WeakPolarHBondContact CE1-ND2 3.39Å; F163-N167 WeakPolarHBondContact CZ-ND2 3.33Å; F163-N167 WeakPolarHBondContact CZ-OD1 3.47Å; F163-N167 PolarHBondContact O-N 2.93Å; N167-A169 PolarHBondContact O-N 2.93Å; N167-L170 PolarHBondContact O-N 3.48Å; N167-L170 VanDerWaalsContact O-N 3.17Å; N167-D171 WeakPolarHBondContact O-CB 3.23Å; N167-D171 VanDerWaalsContact O-CG 3.27Å; N167-D171 PolarHBondContact O-N 3.45Å
168S95.4Very high95.1Very high31 Ų3148.6 Ų48.622%0.21727%0.269CS..Hα-helixtrans-57.9-39177.6-62.20000112.1A164 M165 F166 Q172A164-S168 WeakPolarHBondContact O-CB 3.42Å; A164-S168 PolarHBondContact O-N 3.32Å; A164-S168 PolarHBondContact O-OG 3.34Å; M165-S168 PolarHBondContact O-N 3.35Å; F166-S168 VanDerWaalsContact C-N 3.33Å; F166-S168 PolarHBondContact O-N 3.35Å; S168-Q172 WeakPolarHBondContact O-CG 3.15Å; S168-Q172 PolarHBondContact O-N 3.42Å
169A96.1Very high95.3Very high0 Ų048.7 Ų48.70%027%0.269CS..Hα-helixtrans-69.6-44.8176.500000112L8 L122 L149 L151 M165 F166 N167 Q172 L173L8-A169 HydrophobicContact CD2-CB 3.95Å; L122-A169 HydrophobicContact CD1-CB 4.41Å; L122-A169 HydrophobicContact CD2-CB 3.9Å; L122-A169 HydrophobicContact CG-CB 4.36Å; L149-A169 HydrophobicContact CD2-CB 4.11Å; L151-A169 HydrophobicContact CD2-CB 3.85Å; M165-A169 PolarHBondContact O-N 3.29Å; F166-A169 PolarHBondContact O-N 3.41Å; F166-A169 VanDerWaalsContact O-N 3.15Å; N167-A169 PolarHBondContact O-N 2.93Å; A169-Q172 PolarHBondContact O-N 2.95Å; A169-L173 WeakPolarHBondContact O-CB 3.19Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.33Å; A169-L173 PolarHBondContact O-N 3.48Å
170L95.9Very high95.4Very high8 Ų846.2 Ų46.24%0.04226%0.26CS..Hα-helixtrans-63.3-41.9179.3-66.5175.2000112.3F166 N167 L173 G174 I175 A180 M198F166-L170 WeakPolarHBondContact O-CG 3.36Å; F166-L170 PolarHBondContact O-N 3.1Å; N167-L170 PolarHBondContact O-N 3.48Å; N167-L170 VanDerWaalsContact O-N 3.17Å; L170-L173 CarbonylContact O-C 3.36Å; L170-L173 PolarHBondContact O-N 2.95Å; L170-G174 PolarHBondContact O-N 3.41Å; L170-I175 HydrophobicContact CD2-CG2 3.97Å; L170-I175 PolarHBondContact O-N 3.47Å; L170-I175 VanDerWaalsContact O-N 3.12Å; L170-A180 HydrophobicContact CD2-CB 3.37Å; L170-M198 HydrophobicContact CD1-CG 4.25Å; L170-M198 HydrophobicContact CD1-SD 4.21Å
171D95.4Very high95.6Very high129 Ų12946.2 Ų46.269%0.6926%0.26SS*.Hα-helixtrans-63.6-45.4177.8-72.4-20.5000111.3N167 L173 G174N167-D171 WeakPolarHBondContact O-CB 3.23Å; N167-D171 VanDerWaalsContact O-CG 3.27Å; N167-D171 PolarHBondContact O-N 3.45Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.15Å; D171-G174 PolarHBondContact O-N 3.15Å; D171-G174 VanDerWaalsContact O-N 3.13Å
172Q95.8Very high95.8Very high122 Ų12244.4 Ų44.457%0.5725%0.248SC*.Hα-helixtrans-66.6-32.8177.3-73.6-176.946.700112.9L149 S168 A169 G174L149-Q172 VanDerWaalsContact CD1-OE1 3.23Å; L149-Q172 HydrophobicContact CD2-CB 3.99Å; S168-Q172 WeakPolarHBondContact O-CG 3.15Å; S168-Q172 PolarHBondContact O-N 3.42Å; A169-Q172 PolarHBondContact O-N 2.95Å; Q172-G174 VanDerWaalsContact C-N 3.31Å
173L95.7Very high95.9Very high24 Ų2441.8 Ų41.813%0.12624%0.236CC..Hα-helixtrans-79.7-13.6174.5-70.2174.4000113A6 L8 L118 A120 N148 L149 A169 L170 D171 I175A6-L173 HydrophobicContact CB-CD1 4.12Å; L8-L173 HydrophobicContact CD1-CD1 4.05Å; L118-L173 HydrophobicContact CB-CD2 4.31Å; L118-L173 HydrophobicContact CD1-CB 4.24Å; L118-L173 HydrophobicContact CD1-CD2 4.39Å; A120-L173 HydrophobicContact CB-CD1 4.01Å; N148-L173 HydrophobicContact CB-CD2 4.15Å; L149-L173 HydrophobicContact CB-CD2 3.94Å; L149-L173 HydrophobicContact CB-CG 4.47Å; L149-L173 HydrophobicContact CD2-CD2 4.42Å; L149-L173 HydrophobicContact CD2-CG 4.07Å; A169-L173 WeakPolarHBondContact O-CB 3.19Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.33Å; A169-L173 PolarHBondContact O-N 3.48Å; L170-L173 CarbonylContact O-C 3.36Å; L170-L173 PolarHBondContact O-N 2.95Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.15Å; L173-I175 HydrophobicContact CB-CG2 3.61Å; L173-I175 HydrophobicContact CD1-CG2 4.42Å
174G95.9Very high96.1Very high70 Ų7036.4 Ų36.472%0.72221%0.212SC*.THydrogen-bonded Turntrans65.240.4-178.900000113.3L170 D171 Q172L170-G174 PolarHBondContact O-N 3.41Å; D171-G174 PolarHBondContact O-N 3.15Å; D171-G174 VanDerWaalsContact O-N 3.13Å; Q172-G174 VanDerWaalsContact C-N 3.31Å
175I95.4Very high96.1Very high11 Ų1135.8 Ų35.86%0.05621%0.206CC..  trans-133.6136.1-172.4-175.1179.9000111.7K4 A6 L170 L173 Q179K4-I175 WeakPolarHBondContact O-CD1 3.49Å; A6-I175 HydrophobicContact CB-CD1 3.47Å; A6-I175 VanDerWaalsContact CB-CD1 3.47Å; A6-I175 HydrophobicContact CB-CG2 4.12Å; L170-I175 HydrophobicContact CD2-CG2 3.97Å; L170-I175 PolarHBondContact O-N 3.47Å; L170-I175 VanDerWaalsContact O-N 3.12Å; L173-I175 HydrophobicContact CB-CG2 3.61Å; L173-I175 HydrophobicContact CD1-CG2 4.42Å; I175-Q179 HydrophobicContact CD1-CB 3.55Å; I175-Q179 VanDerWaalsContact CD1-O 3.23Å; I175-Q179 WeakPolarHBondContact CD1-O 3.38Å; I175-Q179 HydrophobicContact CG1-CB 3.59Å
176P96.1Very high96Very high63 Ų6338.8 Ų38.841%0.40922%0.221SC..  trans-70.3153175.330.6-36.9000111.9Q178 Q179P176-Q178 PolarHBondContact O-N 3.35Å; P176-Q178 VanDerWaalsContact O-N 3.14Å; P176-Q179 HydrophobicContact CG-CB 4.2Å; P176-Q179 HydrophobicContact CG-CG 3.91Å; P176-Q179 PolarHBondContact O-N 3.01Å
177S96.1Very high95.9Very high21 Ų2144.1 Ų44.115%0.14725%0.246CC..G310 helixtrans-56.8-34.7-176.456.50000113.7Q179 A180 A196 G197 M198S177-Q179 PolarHBondContact O-N 3.45Å; S177-Q179 VanDerWaalsContact O-N 3.1Å; S177-A180 PolarHBondContact O-N 3.18Å; S177-A196 WeakPolarHBondContact CB-O 3.41Å; S177-A196 PolarHBondContact OG-O 3.26Å; S177-A196 VanDerWaalsContact OG-O 3.13Å; S177-G197 CarbonylContact C-O 3.58Å; S177-M198 WeakPolarHBondContact O-CA 3.43Å
178Q95.6Very high95.9Very high130 Ų13048.5 Ų48.561%0.60727%0.265SS*.G310 helixtrans-65.9-16179.3-59.178.518.100113.7P176 G197P176-Q178 PolarHBondContact O-N 3.35Å; P176-Q178 VanDerWaalsContact O-N 3.14Å; Q178-G197 PolarHBondContact N-O 3.01Å
179Q96.5Very high95.8Very high68 Ų6847.1 Ų47.132%0.31826%0.255SS..G310 helixtrans-101.67.1176.7-64.6178.4-8.700112.5K4 K5 A6 I175 P176 S177 F216K4-Q179 PolarHBondContact O-OE1 3.34Å; K5-Q179 WeakPolarHBondContact CA-O 3.15Å; A6-Q179 PolarHBondContact N-O 3.4Å; I175-Q179 HydrophobicContact CD1-CB 3.55Å; I175-Q179 VanDerWaalsContact CD1-O 3.23Å; I175-Q179 WeakPolarHBondContact CD1-O 3.38Å; I175-Q179 HydrophobicContact CG1-CB 3.59Å; P176-Q179 HydrophobicContact CG-CB 4.2Å; P176-Q179 HydrophobicContact CG-CG 3.91Å; P176-Q179 PolarHBondContact O-N 3.01Å; S177-Q179 PolarHBondContact O-N 3.45Å; S177-Q179 VanDerWaalsContact O-N 3.1Å; Q179-F216 WeakPolarHBondContact O-CZ 3.46Å
180A97.4Very high95.9Very high0 Ų047.8 Ų47.80%026%0.259CS..EExtended strand (participates in β ladder)trans-111.7144.1176.500000112.6A6 L8 L170 S177 M198 K199A6-A180 HydrophobicContact CB-CB 4.41Å; A6-A180 CarbonylContact O-C 3.53Å; A6-A180 WeakPolarHBondContact O-CA 3.4Å; L8-A180 HydrophobicContact CD1-CB 4.24Å; L170-A180 HydrophobicContact CD2-CB 3.37Å; S177-A180 PolarHBondContact O-N 3.18Å; A180-M198 HydrophobicContact CB-CE 3.81Å; A180-M198 HydrophobicContact CB-CG 4.32Å; A180-K199 PolarHBondContact O-N 3.46Å
181L97.9Very high95.9Very high8 Ų852.7 Ų52.74%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-120.6130.4172.9-176.2152.4000110A6 V7 L8 L183 K199 V201 L213 F216A6-L181 PolarHBondContact O-N 3.27Å; V7-L181 WeakPolarHBondContact CA-O 3.13Å; V7-L181 HydrophobicContact CG1-CD2 4.33Å; L8-L181 PolarHBondContact N-O 3.49Å; L181-L183 HydrophobicContact CD2-CD1 3.35Å; L181-L183 HydrophobicContact CD2-CG 3.92Å; L181-K199 CarbonylContact C-O 3.55Å; L181-K199 VanDerWaalsContact CA-O 3.26Å; L181-K199 WeakPolarHBondContact CA-O 3.39Å; L181-K199 HydrophobicContact CB-CB 4.43Å; L181-K199 HydrophobicContact CD1-CB 4.49Å; L181-K199 HydrophobicContact CG-CB 4.36Å; L181-V201 HydrophobicContact CD1-CG2 4.09Å; L181-V201 HydrophobicContact CD2-CG2 4.03Å; L181-V201 HydrophobicContact CG-CG2 4.28Å; L181-L213 HydrophobicContact CD1-CD2 4.34Å; L181-L213 HydrophobicContact CD2-CD2 3.61Å; L181-F216 HydrophobicContact CB-CD1 3.54Å; L181-F216 HydrophobicContact CB-CE1 3.6Å; L181-F216 HydrophobicContact CB-CG 4.09Å; L181-F216 HydrophobicContact CB-CZ 4.2Å; L181-F216 HydrophobicContact CD1-CB 3.52Å; L181-F216 HydrophobicContact CD1-CD1 3.84Å; L181-F216 HydrophobicContact CD1-CD2 4.36Å; L181-F216 HydrophobicContact CD1-CG 3.64Å; L181-F216 HydrophobicContact CG-CD1 4.35Å
182W98Very high95.9Very high0 Ų047.6 Ų47.60%026%0.257CS..EExtended strand (participates in β ladder)trans-101.7134.3177.5177.7-126.9000111.8L8 N10 L122 V160 F166 D184 S189 A193 M198 K199 A200 V201L8-W182 HydrophobicContact CB-CE3 3.58Å; L8-W182 HydrophobicContact CB-CZ3 4Å; L8-W182 WeakPolarHBondContact O-CA 3.38Å; L8-W182 VanDerWaalsContact O-CE3 3.27Å; N10-W182 HydrophobicContact CB-CH2 3.57Å; N10-W182 HydrophobicContact CB-CZ2 3.72Å; N10-W182 HydrophobicContact CB-CZ3 4.43Å; N10-W182 VanDerWaalsContact N-CH2 3.33Å; N10-W182 VanDerWaalsContact N-CZ3 3.35Å; L122-W182 HydrophobicContact CB-CH2 3.92Å; L122-W182 HydrophobicContact CB-CZ3 4.06Å; L122-W182 HydrophobicContact CD1-CE3 4.18Å; L122-W182 HydrophobicContact CD1-CH2 4.17Å; L122-W182 HydrophobicContact CD1-CZ3 3.44Å; L122-W182 VanDerWaalsContact CD1-CZ3 3.44Å; L122-W182 HydrophobicContact CG-CH2 4.5Å; L122-W182 HydrophobicContact CG-CZ3 4.22Å; V160-W182 HydrophobicContact CG1-CZ2 3.95Å; V160-W182 HydrophobicContact CG2-CH2 4.16Å; V160-W182 HydrophobicContact CG2-CZ2 4.21Å; F166-W182 AromaticContact CE1-CD2 3.82Å; F166-W182 HydrophobicContact CE1-CD2 3.82Å; F166-W182 AromaticContact CE1-CE2 3.65Å; F166-W182 HydrophobicContact CE1-CE3 4.29Å; F166-W182 HydrophobicContact CE1-CG 4.17Å; F166-W182 HydrophobicContact CE1-CH2 4.41Å; F166-W182 AromaticContact CE1-CZ2 3.96Å; F166-W182 HydrophobicContact CE1-CZ2 3.96Å; F166-W182 AromaticContact CE1-NE1 3.86Å; F166-W182 HydrophobicContact CZ-CZ2 4.41Å; F166-W182 AromaticContact CZ-NE1 4Å; W182-D184 HydrophobicContact CZ2-CB 4.03Å; W182-D184 WeakPolarHBondContact CZ2-OD2 3.44Å; W182-S189 PolarHBondContact NE1-OG 2.88Å; W182-A193 HydrophobicContact CB-CB 3.81Å; W182-A193 VanDerWaalsContact CD1-CB 3.41Å; W182-A193 HydrophobicContact CG-CB 3.78Å; W182-M198 HydrophobicContact CB-CE 3.84Å; W182-K199 PolarHBondContact N-O 3.29Å; W182-A200 HydrophobicContact CB-CB 4.15Å; W182-A200 CarbonylContact O-C 3.59Å; W182-A200 VanDerWaalsContact O-CA 3.3Å; W182-A200 WeakPolarHBondContact O-CA 3.42Å; W182-V201 PolarHBondContact O-N 3.1Å
183L97.7Very high95.9Very high0 Ų041.8 Ų41.80%023%0.229CC..EExtended strand (participates in β ladder)trans-114.6122.6171.6-67.589.2000109.7V7 L8 F9 N10 V14 L181 V203 L210 L213V7-L183 HydrophobicContact CG1-CD1 3.28Å; L8-L183 WeakPolarHBondContact O-CD1 3.12Å; L8-L183 PolarHBondContact O-N 2.92Å; F9-L183 HydrophobicContact CD1-CB 4.33Å; F9-L183 HydrophobicContact CD1-CD1 3.98Å; F9-L183 HydrophobicContact CD1-CD2 4.15Å; F9-L183 HydrophobicContact CD1-CG 4.41Å; F9-L183 HydrophobicContact CE1-CD1 3.93Å; F9-L183 HydrophobicContact CE1-CD2 4Å; F9-L183 HydrophobicContact CZ-CD1 4.45Å; N10-L183 PolarHBondContact N-O 3.28Å; V14-L183 HydrophobicContact CG1-CB 4.27Å; L181-L183 HydrophobicContact CD2-CD1 3.35Å; L181-L183 HydrophobicContact CD2-CG 3.92Å; L183-V203 HydrophobicContact CB-CG2 4.01Å; L183-V203 HydrophobicContact CD2-CG2 4.33Å; L183-L210 HydrophobicContact CD2-CD2 3.97Å; L183-L213 HydrophobicContact CD1-CD2 3.91Å; L183-L213 HydrophobicContact CD2-CD2 4.16Å; L183-L213 HydrophobicContact CG-CD2 4.37Å
184D96.8Very high96Very high1 Ų145.7 Ų45.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-149.4154.5175.1-153.2-27.5000110.8N10 W182 D186 S189 V190 V201 L202 V203N10-D184 HydrophobicContact CB-CB 4.25Å; N10-D184 PolarHBondContact ND2-OD1 2.83Å; N10-D184 PolarHBondContact ND2-OD2 3.18Å; W182-D184 HydrophobicContact CZ2-CB 4.03Å; W182-D184 WeakPolarHBondContact CZ2-OD2 3.44Å; D184-D186 PolarHBondContact OD1-N 3.34Å; D184-D186 VanDerWaalsContact OD1-N 3.15Å; D184-S189 WeakPolarHBondContact OD2-CB 3.35Å; D184-S189 PolarHBondContact OD2-OG 3.18Å; D184-V190 HydrophobicContact CB-CG2 4.23Å; D184-V201 PolarHBondContact N-O 3.36Å; D184-L202 CarbonylContact O-C 3.52Å; D184-L202 WeakPolarHBondContact O-CA 3.27Å; D184-V203 PolarHBondContact O-N 2.85Å
185V94.5Very high95.9Very high17 Ų1748.3 Ų48.310%0.10325%0.249CC..SBendtrans-91.7-3.9173.5-58.80000112.3G13 V14 R19 V203G13-V185 VanDerWaalsContact O-CG1 3.23Å; G13-V185 WeakPolarHBondContact O-CG1 3.47Å; V14-V185 HydrophobicContact CG2-CG1 3.92Å; R19-V185 VanDerWaalsContact NH2-CB 3.26Å; R19-V185 PolarHBondContact NH2-O 3.22Å; V185-V203 HydrophobicContact CG1-CB 3.89Å; V185-V203 HydrophobicContact CG1-CG1 4.2Å
186D93.3Very high95.7Very high62 Ų6248.2 Ų48.233%0.33225%0.25SS..  trans-104.9123.1-178.2-175.1-91.9000112.2D184 E188 S189 V190D184-D186 PolarHBondContact OD1-N 3.34Å; D184-D186 VanDerWaalsContact OD1-N 3.15Å; D186-E188 PolarHBondContact O-N 3.26Å; D186-E188 WeakPolarHBondContact OD1-CB 3.31Å; D186-E188 PolarHBondContact OD1-N 3.42Å; D186-S189 PolarHBondContact O-N 3Å; D186-S189 PolarHBondContact OD1-N 3.22Å; D186-V190 WeakPolarHBondContact O-CG2 3.48Å; D186-V190 PolarHBondContact O-N 2.91Å
187E94.9Very high95.6Very high112 Ų11246.8 Ų46.852%0.52325%0.246SC..Hα-helixtrans-66-34.3-177.3-72.7-171.6-159.600113.8S189 V190 K191 L202E187-S189 VanDerWaalsContact C-N 3.33Å; E187-V190 PolarHBondContact O-N 2.85Å; E187-K191 VanDerWaalsContact O-CG 3.3Å; E187-K191 WeakPolarHBondContact O-CG 3.42Å; E187-K191 PolarHBondContact O-N 2.98Å; E187-K191 IonicContact OE2-NZ 3.8Å; E187-K191 PolarHBondContact OE2-NZ 3.38Å; E187-L202 HydrophobicContact CG-CD1 4.06Å; E187-L202 HydrophobicContact CG-CD2 3.97Å
188E93.6Very high95.6Very high142 Ų14246.2 Ų46.266%0.66424%0.242SC*.Hα-helixtrans-68.1-40.7-179.8-62.2-172.5169.400110D186 K191 A192D186-E188 PolarHBondContact O-N 3.26Å; D186-E188 WeakPolarHBondContact OD1-CB 3.31Å; D186-E188 PolarHBondContact OD1-N 3.42Å; E188-K191 PolarHBondContact O-N 3.35Å; E188-A192 WeakPolarHBondContact O-CB 3.49Å; E188-A192 PolarHBondContact O-N 3.28Å
189S94.3Very high95.7Very high1 Ų145.6 Ų45.61%0.00724%0.237CC..Hα-helixtrans-62.6-43.4173.5-176.60000113.5V160 W182 D184 D186 E187 A192 A193V160-S189 WeakPolarHBondContact CG1-OG 3.44Å; W182-S189 PolarHBondContact NE1-OG 2.88Å; D184-S189 WeakPolarHBondContact OD2-CB 3.35Å; D184-S189 PolarHBondContact OD2-OG 3.18Å; D186-S189 PolarHBondContact O-N 3Å; D186-S189 PolarHBondContact OD1-N 3.22Å; E187-S189 VanDerWaalsContact C-N 3.33Å; S189-A192 PolarHBondContact O-N 3.37Å; S189-A193 PolarHBondContact O-N 3.37Å
190V96.5Very high95.7Very high14 Ų1443.4 Ų43.49%0.08523%0.23CC..Hα-helixtrans-58.8-49.9174.3168.10000110.7D184 D186 E187 A192 A193 E194 A200 L202D184-V190 HydrophobicContact CB-CG2 4.23Å; D186-V190 WeakPolarHBondContact O-CG2 3.48Å; D186-V190 PolarHBondContact O-N 2.91Å; E187-V190 PolarHBondContact O-N 2.85Å; V190-A192 VanDerWaalsContact C-N 3.3Å; V190-A192 PolarHBondContact O-N 3.01Å; V190-A193 PolarHBondContact O-N 3.21Å; V190-E194 WeakPolarHBondContact O-CG 3.47Å; V190-E194 PolarHBondContact O-N 2.96Å; V190-A200 HydrophobicContact CB-CB 4.34Å; V190-A200 HydrophobicContact CG1-CB 3.74Å; V190-L202 HydrophobicContact CG2-CB 4.23Å; V190-L202 HydrophobicContact CG2-CD1 4.14Å
191K96.6Very high95.6Very high111 Ų11144.9 Ų44.948%0.48324%0.239SC..Hα-helixtrans-61.8-37.6178.1-70.8166.8-169.9157.70112.2E187 E188 E194 T195E187-K191 VanDerWaalsContact O-CG 3.3Å; E187-K191 WeakPolarHBondContact O-CG 3.42Å; E187-K191 PolarHBondContact O-N 2.98Å; E187-K191 IonicContact OE2-NZ 3.8Å; E187-K191 PolarHBondContact OE2-NZ 3.38Å; E188-K191 PolarHBondContact O-N 3.35Å; K191-E194 PolarHBondContact O-N 3.23Å; K191-T195 WeakPolarHBondContact O-CB 3.28Å; K191-T195 PolarHBondContact O-N 3.02Å; K191-T195 PolarHBondContact O-OG1 2.93Å
192A95.7Very high95.6Very high23 Ų2347.4 Ų47.419%0.1925%0.252CS..Hα-helixtrans-65.5-42.217700000112.1P161 F166 E188 S189 V190 T195 A196P161-A192 HydrophobicContact CB-CB 3.93Å; P161-A192 VanDerWaalsContact O-CB 3.3Å; P161-A192 WeakPolarHBondContact O-CB 3.27Å; F166-A192 HydrophobicContact CE2-CB 3.99Å; E188-A192 WeakPolarHBondContact O-CB 3.49Å; E188-A192 PolarHBondContact O-N 3.28Å; S189-A192 PolarHBondContact O-N 3.37Å; V190-A192 VanDerWaalsContact C-N 3.3Å; V190-A192 PolarHBondContact O-N 3.01Å; A192-T195 PolarHBondContact O-N 3.12Å; A192-A196 PolarHBondContact O-N 2.72Å
193A96.4Very high95.4Very high0 Ų047.8 Ų47.80%026%0.255CS..Hα-helixtrans-65.8-39.2175.300000112.3F166 W182 S189 V190 A196 G197 M198 A200F166-A193 HydrophobicContact CD1-CB 4.5Å; F166-A193 HydrophobicContact CE1-CB 4.1Å; F166-A193 HydrophobicContact CE2-CB 4.48Å; F166-A193 HydrophobicContact CZ-CB 4.08Å; W182-A193 HydrophobicContact CB-CB 3.81Å; W182-A193 VanDerWaalsContact CD1-CB 3.41Å; W182-A193 HydrophobicContact CG-CB 3.78Å; S189-A193 PolarHBondContact O-N 3.37Å; V190-A193 PolarHBondContact O-N 3.21Å; A193-A196 CarbonylContact O-C 3.27Å; A193-A196 WeakPolarHBondContact O-CA 3.46Å; A193-A196 VanDerWaalsContact O-CB 3.25Å; A193-A196 WeakPolarHBondContact O-CB 3.45Å; A193-A196 PolarHBondContact O-N 2.78Å; A193-A196 VanDerWaalsContact O-N 3.08Å; A193-G197 PolarHBondContact O-N 3.02Å; A193-M198 HydrophobicContact CB-CB 4.44Å; A193-M198 HydrophobicContact CB-SD 4.3Å; A193-M198 WeakPolarHBondContact O-CB 3.41Å; A193-M198 PolarHBondContact O-N 2.93Å; A193-A200 HydrophobicContact CB-CB 4.17Å
194E96.2Very high95.2Very high106 Ų10655 Ų5550%0.49529%0.293SS..Hα-helixtrans-63.7-41.9173.8-70.2178.2152.200111.9V190 K191 A196 G197 A200V190-E194 WeakPolarHBondContact O-CG 3.47Å; V190-E194 PolarHBondContact O-N 2.96Å; K191-E194 PolarHBondContact O-N 3.23Å; E194-A196 PolarHBondContact O-N 2.71Å; E194-G197 WeakPolarHBondContact O-CA 3.48Å; E194-G197 PolarHBondContact O-N 3.43Å; E194-A200 HydrophobicContact CG-CB 3.93Å
195T93.9Very high95Very high124 Ų12459.3 Ų59.376%0.76132%0.316SS*.Hα-helixtrans-61.8-29.2173.2-55.50000111.3K191 A192 G197K191-T195 WeakPolarHBondContact O-CB 3.28Å; K191-T195 PolarHBondContact O-N 3.02Å; K191-T195 PolarHBondContact O-OG1 2.93Å; A192-T195 PolarHBondContact O-N 3.12Å; T195-G197 PolarHBondContact O-N 3.28Å
196A91.2Very high95Very high10 Ų1059.6 Ų59.68%0.08332%0.317CS..THydrogen-bonded Turntrans-74.9-2.917300000114.5F163 S177 A192 A193 E194 M198F163-A196 HydrophobicContact CD2-CB 3.55Å; F163-A196 HydrophobicContact CE2-CB 3.45Å; F163-A196 VanDerWaalsContact CE2-CB 3.45Å; S177-A196 WeakPolarHBondContact CB-O 3.41Å; S177-A196 PolarHBondContact OG-O 3.26Å; S177-A196 VanDerWaalsContact OG-O 3.13Å; A192-A196 PolarHBondContact O-N 2.72Å; A193-A196 CarbonylContact O-C 3.27Å; A193-A196 WeakPolarHBondContact O-CA 3.46Å; A193-A196 VanDerWaalsContact O-CB 3.25Å; A193-A196 WeakPolarHBondContact O-CB 3.45Å; A193-A196 PolarHBondContact O-N 2.78Å; A193-A196 VanDerWaalsContact O-N 3.08Å; E194-A196 PolarHBondContact O-N 2.71Å; A196-M198 VanDerWaalsContact C-N 3.34Å; A196-M198 HydrophobicContact CB-CG 4.47Å
197G94.2Very high94.9Very high32 Ų3262 Ų6233%0.3333%0.326SS..THydrogen-bonded Turntrans81.312.3-17800000114.1S177 Q178 A193 E194 T195S177-G197 CarbonylContact C-O 3.58Å; Q178-G197 PolarHBondContact N-O 3.01Å; A193-G197 PolarHBondContact O-N 3.02Å; E194-G197 WeakPolarHBondContact O-CA 3.48Å; E194-G197 PolarHBondContact O-N 3.43Å; T195-G197 PolarHBondContact O-N 3.28Å
198M96.8Very high94.8Very high10 Ų1058.7 Ų58.75%0.04932%0.319CS..  trans-84.1158.8172.2-57.8171.762.300110.8L8 F166 L170 S177 A180 W182 A193 A196L8-M198 HydrophobicContact CD2-CE 3.74Å; L8-M198 HydrophobicContact CG-CE 4.49Å; F166-M198 HydrophobicContact CB-SD 4Å; F166-M198 HydrophobicContact CD1-SD 4Å; F166-M198 HydrophobicContact CG-SD 4.2Å; L170-M198 HydrophobicContact CD1-CG 4.25Å; L170-M198 HydrophobicContact CD1-SD 4.21Å; S177-M198 WeakPolarHBondContact O-CA 3.43Å; A180-M198 HydrophobicContact CB-CE 3.81Å; A180-M198 HydrophobicContact CB-CG 4.32Å; W182-M198 HydrophobicContact CB-CE 3.84Å; A193-M198 HydrophobicContact CB-CB 4.44Å; A193-M198 HydrophobicContact CB-SD 4.3Å; A193-M198 WeakPolarHBondContact O-CB 3.41Å; A193-M198 PolarHBondContact O-N 2.93Å; A196-M198 VanDerWaalsContact C-N 3.34Å; A196-M198 HydrophobicContact CB-CG 4.47Å
199K96.7Very high94.8Very high117 Ų11752.2 Ų52.251%0.50929%0.289SS..EExtended strand (participates in β ladder)trans-77.2147.4157.8-68.4-166.2-175.1-178.10108.8A180 L181 W182 F216A180-K199 PolarHBondContact O-N 3.46Å; L181-K199 CarbonylContact C-O 3.55Å; L181-K199 VanDerWaalsContact CA-O 3.26Å; L181-K199 WeakPolarHBondContact CA-O 3.39Å; L181-K199 HydrophobicContact CB-CB 4.43Å; L181-K199 HydrophobicContact CD1-CB 4.49Å; L181-K199 HydrophobicContact CG-CB 4.36Å; W182-K199 PolarHBondContact N-O 3.29Å; K199-F216 HydrophobicContact CD-CD2 3.58Å; K199-F216 HydrophobicContact CD-CE2 3.7Å; K199-F216 HydrophobicContact CG-CE2 4.27Å
200A96.5Very high94.8Very high21 Ų2152.2 Ų52.217%0.17429%0.289CS..EExtended strand (participates in β ladder)trans-137.5151176.200000111.1W182 V190 A193 E194W182-A200 HydrophobicContact CB-CB 4.15Å; W182-A200 CarbonylContact O-C 3.59Å; W182-A200 VanDerWaalsContact O-CA 3.3Å; W182-A200 WeakPolarHBondContact O-CA 3.42Å; V190-A200 HydrophobicContact CB-CB 4.34Å; V190-A200 HydrophobicContact CG1-CB 3.74Å; A193-A200 HydrophobicContact CB-CB 4.17Å; E194-A200 HydrophobicContact CG-CB 3.93Å
201V96.4Very high94.5Very high31 Ų3155 Ų5519%0.18830%0.301CS..EExtended strand (participates in β ladder)trans-127.8118.4178.2177.70000107.8L181 W182 D184 A209L181-V201 HydrophobicContact CD1-CG2 4.09Å; L181-V201 HydrophobicContact CD2-CG2 4.03Å; L181-V201 HydrophobicContact CG-CG2 4.28Å; W182-V201 PolarHBondContact O-N 3.1Å; D184-V201 PolarHBondContact N-O 3.36Å; V201-A209 HydrophobicContact CG1-CB 4.07Å
202L97Very high94.2Very high61 Ų6155.7 Ų55.732%0.31930%0.304SS..EExtended strand (participates in β ladder)trans-71.9124.5166.7-175.866.2000109.1D184 E187 V190D184-L202 CarbonylContact O-C 3.52Å; D184-L202 WeakPolarHBondContact O-CA 3.27Å; E187-L202 HydrophobicContact CG-CD1 4.06Å; E187-L202 HydrophobicContact CG-CD2 3.97Å; V190-L202 HydrophobicContact CG2-CB 4.23Å; V190-L202 HydrophobicContact CG2-CD1 4.14Å
203V95.3Very high94.1Very high8 Ų854.6 Ų54.65%0.04830%0.295CS..  trans-97.696.8-175.1-177.50000109.9V14 L183 D184 V185 L206 A209V14-V203 HydrophobicContact CG2-CB 4.49Å; V14-V203 HydrophobicContact CG2-CG2 4.22Å; L183-V203 HydrophobicContact CB-CG2 4.01Å; L183-V203 HydrophobicContact CD2-CG2 4.33Å; D184-V203 PolarHBondContact O-N 2.85Å; V185-V203 HydrophobicContact CG1-CB 3.89Å; V185-V203 HydrophobicContact CG1-CG1 4.2Å; V203-L206 HydrophobicContact CG1-CB 4.31Å; V203-L206 HydrophobicContact CG1-CD1 4.17Å; V203-A209 HydrophobicContact CB-CB 4.41Å; V203-A209 HydrophobicContact CG1-CB 4.08Å; V203-A209 HydrophobicContact CG2-CB 3.94Å
204D91.5Very high93.9Very high152 Ų15255.8 Ų55.881%0.81330%0.303SS*.SBendtrans-88.6-39.7168.8-60.5-46.6000111.7
205N93.9Very high93.7Very high91 Ų9157.3 Ų57.349%0.48732%0.315SS..SBendtrans-129.2118173.9177-64.5000107.9E207 A208 A209N205-E207 PolarHBondContact O-N 3.2Å; N205-E207 PolarHBondContact OD1-N 3.37Å; N205-E207 VanDerWaalsContact OD1-N 3.16Å; N205-A208 HydrophobicContact CB-CB 4.1Å; N205-A208 PolarHBondContact O-N 2.91Å; N205-A208 PolarHBondContact OD1-N 2.9Å; N205-A209 WeakPolarHBondContact O-CB 3.25Å; N205-A209 PolarHBondContact O-N 3.32Å
206L93.2Very high93.7Very high24 Ų2452.1 Ų52.113%0.12628%0.282CS..Hα-helixtrans-60.3-49.5-173.9179.663.2000112.1V14 Q102 I104 V105 V203 A208 A209 L210V14-L206 HydrophobicContact CG1-CD1 3.93Å; Q102-L206 VanDerWaalsContact CD-CD2 3.49Å; I104-L206 HydrophobicContact CG2-CD2 3.76Å; I104-L206 HydrophobicContact CG2-CG 4.5Å; V105-L206 HydrophobicContact CG2-CD1 4.26Å; V105-L206 HydrophobicContact CG2-CD2 3.84Å; V203-L206 HydrophobicContact CG1-CB 4.31Å; V203-L206 HydrophobicContact CG1-CD1 4.17Å; L206-A208 VanDerWaalsContact C-N 3.35Å; L206-A208 PolarHBondContact O-N 3.08Å; L206-A209 WeakPolarHBondContact O-CB 3.29Å; L206-A209 PolarHBondContact O-N 3.36Å; L206-A209 VanDerWaalsContact O-N 3.12Å; L206-L210 HydrophobicContact CD1-CD1 4.03Å; L206-L210 HydrophobicContact CD1-CD2 4.2Å; L206-L210 HydrophobicContact CD1-CG 3.92Å; L206-L210 HydrophobicContact CD2-CD1 4.48Å; L206-L210 HydrophobicContact CG-CD1 3.88Å; L206-L210 HydrophobicContact CG-CG 4.16Å; L206-L210 VanDerWaalsContact O-CG 3.27Å; L206-L210 WeakPolarHBondContact O-CG 3.47Å; L206-L210 PolarHBondContact O-N 3.29Å
207E91.9Very high93.8Very high111 Ų11152.2 Ų52.252%0.51928%0.281SS..Hα-helixtrans-60.8-44.6-177.2-172.9171.9-167.500111.6I104 N205 A209 L210 H211I104-E207 HydrophobicContact CD1-CB 4.35Å; I104-E207 HydrophobicContact CD1-CG 4.19Å; N205-E207 PolarHBondContact O-N 3.2Å; N205-E207 PolarHBondContact OD1-N 3.37Å; N205-E207 VanDerWaalsContact OD1-N 3.16Å; E207-A209 VanDerWaalsContact C-N 3.33Å; E207-A209 PolarHBondContact O-N 3.36Å; E207-L210 PolarHBondContact O-N 2.84Å; E207-H211 PolarHBondContact O-CD2 3Å; E207-H211 PolarHBondContact O-N 3.12Å
208A92.8Very high93.7Very high44 Ų4454 Ų5436%0.36430%0.3SS..Hα-helixtrans-62.7-38.717500000112.5N205 L206 K212N205-A208 HydrophobicContact CB-CB 4.1Å; N205-A208 PolarHBondContact O-N 2.91Å; N205-A208 PolarHBondContact OD1-N 2.9Å; L206-A208 VanDerWaalsContact C-N 3.35Å; L206-A208 PolarHBondContact O-N 3.08Å; A208-K212 WeakPolarHBondContact O-CG 3.42Å; A208-K212 PolarHBondContact O-N 3.4Å
209A94.1Very high93.3Very high5 Ų554.3 Ų54.34%0.04130%0.302CS..Hα-helixtrans-67.2-41.717600000111.9V201 V203 N205 L206 E207 K212V201-A209 HydrophobicContact CG1-CB 4.07Å; V203-A209 HydrophobicContact CB-CB 4.41Å; V203-A209 HydrophobicContact CG1-CB 4.08Å; V203-A209 HydrophobicContact CG2-CB 3.94Å; N205-A209 WeakPolarHBondContact O-CB 3.25Å; N205-A209 PolarHBondContact O-N 3.32Å; L206-A209 WeakPolarHBondContact O-CB 3.29Å; L206-A209 PolarHBondContact O-N 3.36Å; L206-A209 VanDerWaalsContact O-N 3.12Å; E207-A209 VanDerWaalsContact C-N 3.33Å; E207-A209 PolarHBondContact O-N 3.36Å; A209-K212 PolarHBondContact O-N 2.67Å
210L93.3Very high92.9Very high2 Ų254 Ų541%0.0130%0.302CS..Hα-helixtrans-66.6-36.9177.6-64.4178.2000111.8F9 I104 V105 T108 L183 L206 E207 K212 L213 V222F9-L210 HydrophobicContact CE1-CD2 3.8Å; I104-L210 HydrophobicContact CD1-CD1 4.06Å; I104-L210 HydrophobicContact CG1-CD1 3.83Å; I104-L210 HydrophobicContact CG2-CD1 4.09Å; V105-L210 HydrophobicContact CG2-CD1 4.44Å; T108-L210 HydrophobicContact CG2-CD2 4.2Å; L183-L210 HydrophobicContact CD2-CD2 3.97Å; L206-L210 HydrophobicContact CD1-CD1 4.03Å; L206-L210 HydrophobicContact CD1-CD2 4.2Å; L206-L210 HydrophobicContact CD1-CG 3.92Å; L206-L210 HydrophobicContact CD2-CD1 4.48Å; L206-L210 HydrophobicContact CG-CD1 3.88Å; L206-L210 HydrophobicContact CG-CG 4.16Å; L206-L210 VanDerWaalsContact O-CG 3.27Å; L206-L210 WeakPolarHBondContact O-CG 3.47Å; L206-L210 PolarHBondContact O-N 3.29Å; E207-L210 PolarHBondContact O-N 2.84Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 3.43Å; L210-L213 HydrophobicContact CD2-CD1 3.89Å; L210-L213 VanDerWaalsContact O-CB 3.26Å; L210-L213 WeakPolarHBondContact O-CB 3.24Å; L210-L213 VanDerWaalsContact O-CG 3.25Å; L210-L213 WeakPolarHBondContact O-CG 3.37Å; L210-L213 PolarHBondContact O-N 2.93Å; L210-L213 VanDerWaalsContact O-N 3.17Å; L210-V222 HydrophobicContact CB-CG2 3.44Å; L210-V222 VanDerWaalsContact CB-CG2 3.44Å
211H90.1Very high92.4Very high71 Ų7153.2 Ų53.233%0.32930%0.296SS..Hα-helixtrans-63.3-35.4174-85.4-63.7000113E207 L213 S214E207-H211 PolarHBondContact O-CD2 3Å; E207-H211 PolarHBondContact O-N 3.12Å; H211-L213 PolarHBondContact O-N 3.46Å; H211-S214 PolarHBondContact O-OG 3.5Å; H211-S214 VanDerWaalsContact O-OG 3.12Å
212K91.5Very high91.9Very high126 Ų12652.6 Ų52.655%0.54829%0.292SS..THydrogen-bonded Turntrans-70.2-8.8176.6-71.4173.7-178.4178.40113.6A208 A209 L210 S214 D215A208-K212 WeakPolarHBondContact O-CG 3.42Å; A208-K212 PolarHBondContact O-N 3.4Å; A209-K212 PolarHBondContact O-N 2.67Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 3.43Å; K212-S214 PolarHBondContact O-N 3.16Å; K212-D215 WeakPolarHBondContact O-CB 3.31Å; K212-D215 PolarHBondContact O-N 3.37Å
213L92.9Very high90.7Very high0 Ų053.6 Ų53.60%032%0.318CS..Hα-helixtrans-62.4-30.4176.6-63.1179.8000112.1V7 F9 T108 L112 L181 L183 L210 H211 D215 F216 T217V7-L213 HydrophobicContact CG1-CD1 4.19Å; V7-L213 HydrophobicContact CG1-CD2 4Å; F9-L213 HydrophobicContact CZ-CD1 4.42Å; T108-L213 HydrophobicContact CG2-CD1 3.99Å; L112-L213 HydrophobicContact CD1-CD1 4.15Å; L181-L213 HydrophobicContact CD1-CD2 4.34Å; L181-L213 HydrophobicContact CD2-CD2 3.61Å; L183-L213 HydrophobicContact CD1-CD2 3.91Å; L183-L213 HydrophobicContact CD2-CD2 4.16Å; L183-L213 HydrophobicContact CG-CD2 4.37Å; L210-L213 HydrophobicContact CD2-CD1 3.89Å; L210-L213 VanDerWaalsContact O-CB 3.26Å; L210-L213 WeakPolarHBondContact O-CB 3.24Å; L210-L213 VanDerWaalsContact O-CG 3.25Å; L210-L213 WeakPolarHBondContact O-CG 3.37Å; L210-L213 PolarHBondContact O-N 2.93Å; L210-L213 VanDerWaalsContact O-N 3.17Å; H211-L213 PolarHBondContact O-N 3.46Å; L213-D215 VanDerWaalsContact C-N 3.26Å; L213-D215 PolarHBondContact O-N 3.11Å; L213-F216 PolarHBondContact O-N 2.86Å; L213-T217 WeakPolarHBondContact O-CB 3.47Å; L213-T217 WeakPolarHBondContact O-CG2 3.43Å; L213-T217 PolarHBondContact O-N 3.11Å; L213-T217 PolarHBondContact O-OG1 2.91Å
214S92Very high89.5Confident25 Ų2555.1 Ų55.118%0.17533%0.331CS..Hα-helixtrans-63.4-31.5179.361.70000112.8H211 K212 F216 G218 V219 Q220H211-S214 PolarHBondContact O-OG 3.5Å; H211-S214 VanDerWaalsContact O-OG 3.12Å; K212-S214 PolarHBondContact O-N 3.16Å; S214-F216 PolarHBondContact O-N 3.02Å; S214-G218 VanDerWaalsContact O-CA 3.26Å; S214-G218 WeakPolarHBondContact O-CA 3.35Å; S214-G218 PolarHBondContact O-N 3.3Å; S214-V219 WeakPolarHBondContact CA-O 3.27Å; S214-V219 VanDerWaalsContact CB-O 3.27Å; S214-V219 WeakPolarHBondContact CB-O 3.31Å; S214-Q220 PolarHBondContact OG-OE1 3.47Å
215D92.9Very high88.3Confident139 Ų13955.4 Ų55.474%0.74333%0.327SS*.Hα-helixtrans-59.9-33.8174.2-62.5-23.5000111.7K212 L213K212-D215 WeakPolarHBondContact O-CB 3.31Å; K212-D215 PolarHBondContact O-N 3.37Å; L213-D215 VanDerWaalsContact C-N 3.26Å; L213-D215 PolarHBondContact O-N 3.11Å
216F93.9Very high87.3Confident15 Ų1552.7 Ų52.77%0.06632%0.316CS..Hα-helixtrans-89.8-47.8177.8-179.3-111.9000112.6K5 Q179 L181 K199 L213 S214K5-F216 HydrophobicContact CB-CE1 4.15Å; K5-F216 HydrophobicContact CD-CD1 4.47Å; K5-F216 HydrophobicContact CD-CE1 4.26Å; K5-F216 HydrophobicContact CD-CZ 4.49Å; K5-F216 VanDerWaalsContact CD-O 3.23Å; K5-F216 WeakPolarHBondContact CD-O 3.5Å; K5-F216 VanDerWaalsContact CE-O 3.27Å; K5-F216 WeakPolarHBondContact CE-O 3.49Å; K5-F216 HydrophobicContact CG-CE1 4.36Å; K5-F216 PolarHBondContact NZ-O 3.36Å; Q179-F216 WeakPolarHBondContact O-CZ 3.46Å; L181-F216 HydrophobicContact CB-CD1 3.54Å; L181-F216 HydrophobicContact CB-CE1 3.6Å; L181-F216 HydrophobicContact CB-CG 4.09Å; L181-F216 HydrophobicContact CB-CZ 4.2Å; L181-F216 HydrophobicContact CD1-CB 3.52Å; L181-F216 HydrophobicContact CD1-CD1 3.84Å; L181-F216 HydrophobicContact CD1-CD2 4.36Å; L181-F216 HydrophobicContact CD1-CG 3.64Å; L181-F216 HydrophobicContact CG-CD1 4.35Å; K199-F216 HydrophobicContact CD-CD2 3.58Å; K199-F216 HydrophobicContact CD-CE2 3.7Å; K199-F216 HydrophobicContact CG-CE2 4.27Å; L213-F216 PolarHBondContact O-N 2.86Å; S214-F216 PolarHBondContact O-N 3.02Å
217T93.4Very high86.5Confident12 Ų1253.4 Ų53.47%0.07432%0.322CS..Hα-helixtrans-84.9-30.5-169.663.50000112.3V7 L112 V117 L213 V219V7-T217 HydrophobicContact CG2-CG2 3.65Å; L112-T217 HydrophobicContact CD2-CG2 3.98Å; V117-T217 HydrophobicContact CG1-CG2 4.03Å; V117-T217 HydrophobicContact CG2-CG2 4.34Å; L213-T217 WeakPolarHBondContact O-CB 3.47Å; L213-T217 WeakPolarHBondContact O-CG2 3.43Å; L213-T217 PolarHBondContact O-N 3.11Å; L213-T217 PolarHBondContact O-OG1 2.91Å; T217-V219 VanDerWaalsContact C-N 3.28Å; T217-V219 PolarHBondContact OG1-N 3.43Å; T217-V219 PolarHBondContact OG1-O 3.4Å
218G91.1Very high86.2Confident69 Ų6949.7 Ų49.771%0.71131%0.307SS*.SBendtrans80.47.7-165.400000113.4S214S214-G218 VanDerWaalsContact O-CA 3.26Å; S214-G218 WeakPolarHBondContact O-CA 3.35Å; S214-G218 PolarHBondContact O-N 3.3Å
219V88.4Confident85.8Confident17 Ų1749.7 Ų49.710%0.10330%0.301CS..  trans-116.7119.8-175.7-179.20000109.4L112 H115 V117 S214 T217 A221L112-V219 HydrophobicContact CD2-CB 4.21Å; L112-V219 HydrophobicContact CD2-CG1 4.32Å; H115-V219 HydrophobicContact CB-CB 4.37Å; H115-V219 HydrophobicContact CB-CG1 3.76Å; H115-V219 HydrophobicContact CB-CG2 3.63Å; V117-V219 HydrophobicContact CG2-CG2 3.96Å; S214-V219 WeakPolarHBondContact CA-O 3.27Å; S214-V219 VanDerWaalsContact CB-O 3.27Å; S214-V219 WeakPolarHBondContact CB-O 3.31Å; T217-V219 VanDerWaalsContact C-N 3.28Å; T217-V219 PolarHBondContact OG1-N 3.43Å; T217-V219 PolarHBondContact OG1-O 3.4Å; V219-A221 VanDerWaalsContact C-N 3.32Å; V219-A221 HydrophobicContact CG1-CB 4.31Å; V219-A221 PolarHBondContact O-N 3.45Å
220Q89.1Confident85.6Confident109 Ų10951.1 Ų51.151%0.50931%0.312SS..  trans-77.684.8170.4-166.272.61.900109S214 A224S214-Q220 PolarHBondContact OG-OE1 3.47Å; Q220-A224 VanDerWaalsContact O-CB 3.3Å; Q220-A224 WeakPolarHBondContact O-CB 3.32Å
221A85.1Confident85.3Confident6 Ų651.2 Ų51.25%0.0531%0.313CS..  trans-82.6-33.8-170.500000114.1T108 S111 L112 V219T108-A221 HydrophobicContact CG2-CB 3.83Å; S111-A221 WeakPolarHBondContact OG-CA 3.37Å; S111-A221 PolarHBondContact OG-O 2.87Å; L112-A221 HydrophobicContact CD2-CB 3.76Å; L112-A221 HydrophobicContact CG-CB 3.74Å; V219-A221 VanDerWaalsContact C-N 3.32Å; V219-A221 HydrophobicContact CG1-CB 4.31Å; V219-A221 PolarHBondContact O-N 3.45Å
222V85.9Confident85.3Confident17 Ų1749.2 Ų49.210%0.10331%0.307CS..THydrogen-bonded Turntrans-76.1128.2179.6-175.10000110I104 T108 L210 A224I104-V222 HydrophobicContact CD1-CG1 4.44Å; T108-V222 HydrophobicContact CG2-CG2 4.41Å; L210-V222 HydrophobicContact CB-CG2 3.44Å; L210-V222 VanDerWaalsContact CB-CG2 3.44Å; V222-A224 PolarHBondContact O-N 2.96Å
223G72.8Confident85.3Confident83 Ų8344.9 Ų44.986%0.85629%0.292SS*.THydrogen-bonded Turntrans76.1-3.2179.200000115
224A69.5Low85.1Confident39 Ų3951.5 Ų51.532%0.32233%0.327SS..  trans-73.2131.5171.300000110.4Q220 V222 S226Q220-A224 VanDerWaalsContact O-CB 3.3Å; Q220-A224 WeakPolarHBondContact O-CB 3.32Å; V222-A224 PolarHBondContact O-N 2.96Å; A224-S226 PolarHBondContact O-N 3.39Å; A224-S226 VanDerWaalsContact O-N 3.17Å
225E67.6Low84.8Confident158 Ų15855.5 Ų55.574%0.73834%0.343SS*.  trans-61119166-74.2-167.3-179.400108.5R412E225-R412 IonicContact OE2-CZ 3.69Å; E225-R412 IonicContact OE2-NH1 2.84Å; E225-R412 PolarHBondContact OE2-NH1 3Å; E225-R412 IonicContact OE2-NH2 3.76Å
226S71.4Confident84.7Confident35 Ų3549.6 Ų49.625%0.24531%0.312CS..  trans-120.4141.6168.347.70000108A224A224-S226 PolarHBondContact O-N 3.39Å; A224-S226 VanDerWaalsContact O-N 3.17Å
227P77.1Confident84.9Confident39 Ų3952.3 Ų52.325%0.25333%0.333SS..PPolyproline II helixtrans-61153.3172.627.8-33.3000109Y114 Y275 P534Y114-P227 HydrophobicContact CD2-CG 3.95Å; Y114-P227 HydrophobicContact CE2-CG 3.74Å; P227-Y275 HydrophobicContact CB-CD1 4.48Å; P227-Y275 HydrophobicContact CB-CE1 3.77Å; P227-Y275 HydrophobicContact CG-CE1 4.39Å; P227-P534 HydrophobicContact CB-CG 4.4Å
228P84.7Confident85.1Confident32 Ų3255 Ų5521%0.20835%0.345CS..PPolyproline II helixtrans-51.6164.3169.4-24.734.9000111.6A230 Y275 P534 A535P228-A230 PolarHBondContact O-N 2.89Å; P228-A230 VanDerWaalsContact O-N 3.12Å; P228-Y275 HydrophobicContact CB-CD1 4.37Å; P228-Y275 WeakPolarHBondContact O-CD1 3.49Å; P228-Y275 VanDerWaalsContact O-CE1 3.3Å; P228-Y275 WeakPolarHBondContact O-CE1 3.42Å; P228-P534 VanDerWaalsContact CD-CG 3.48Å; P228-P534 HydrophobicContact CG-CB 3.93Å; P228-P534 HydrophobicContact CG-CG 4.23Å; P228-A535 HydrophobicContact CG-CB 3.86Å
229I84.6Confident85.4Confident45 Ų4552.3 Ų52.323%0.23132%0.316CS..PPolyproline II helixtrans-58.1122.5174.1-64.6162.6000108.7S145 N146 P278S145-I229 WeakPolarHBondContact O-CD1 3.45Å; N146-I229 HydrophobicContact CB-CD1 4.43Å; N146-I229 VanDerWaalsContact OD1-CD1 3.32Å; N146-I229 WeakPolarHBondContact OD1-CD1 3.45Å; I229-P278 HydrophobicContact CG2-CG 4.47Å; I229-P278 WeakPolarHBondContact O-CG 3.24Å
230A89.4Confident85.9Confident34 Ų3455.6 Ų55.628%0.28133%0.33SS..PPolyproline II helixtrans-87.7146.1165.800000109.7P228 R274 Y275P228-A230 PolarHBondContact O-N 2.89Å; P228-A230 VanDerWaalsContact O-N 3.12Å; A230-R274 CarbonylContact C-O 3.52Å; A230-R274 VanDerWaalsContact CA-O 3.28Å; A230-R274 WeakPolarHBondContact CA-O 3.49Å; A230-R274 HydrophobicContact CB-CB 4.33Å; A230-R274 HydrophobicContact CB-CG 4.02Å; A230-Y275 HydrophobicContact CB-CD1 3.81Å; A230-Y275 HydrophobicContact CB-CE1 3.59Å
231C88.6Confident86.4Confident4 Ų451 Ų513%0.02731%0.31CS..PPolyproline II helixtrans-82.9144.7160.761.70000110.9V236 Y271 R274C231-V236 HydrophobicContact CB-CG1 3.76Å; C231-Y271 WeakPolarHBondContact O-CE2 3.11Å; C231-R274 PolarHBondContact N-O 3.24Å
232S88.6Confident87Confident29 Ų2955 Ų5520%0.20333%0.334CS..PPolyproline II helixtrans-92.1158.1163.262.90000110.8D234 Q235S232-D234 WeakPolarHBondContact CB-OD1 3.18Å; S232-D234 PolarHBondContact O-N 2.97Å; S232-D234 PolarHBondContact OG-OD1 3.28Å; S232-Q235 VanDerWaalsContact N-OE1 3.08Å; S232-Q235 WeakPolarHBondContact O-CB 3.3Å; S232-Q235 PolarHBondContact O-N 2.99Å; S232-Q235 WeakPolarHBondContact OG-CG 2.91Å; S232-Q235 PolarHBondContact OG-OE1 2.84Å
233P92.2Very high87.5Confident36 Ų3654.7 Ų54.723%0.23433%0.331CS..G310 helixtrans-55.8-33.7-179.4-2736.3000114.3Q235 V236 H238 W270 Y271 Y452P233-Q235 PolarHBondContact O-N 3.46Å; P233-V236 WeakPolarHBondContact O-CG2 3.5Å; P233-H238 PolarHBondContact O-NE2 3.37Å; P233-W270 HydrophobicContact CB-CH2 4.42Å; P233-W270 HydrophobicContact CB-CZ2 4.13Å; P233-W270 HydrophobicContact CG-CH2 4.45Å; P233-W270 HydrophobicContact CG-CZ2 4.3Å; P233-Y271 HydrophobicContact CG-CD2 4.37Å; P233-Y271 HydrophobicContact CG-CE2 4.05Å; P233-Y452 HydrophobicContact CB-CE2 4.06Å; P233-Y452 HydrophobicContact CG-CD2 3.57Å; P233-Y452 HydrophobicContact CG-CE2 3.44Å; P233-Y452 VanDerWaalsContact CG-CE2 3.44Å
234D88.6Confident88.5Confident139 Ų13953.9 Ų53.974%0.74330%0.302SS*.G310 helixtrans-75-9.817859.8-57.8000114.3S232S232-D234 WeakPolarHBondContact CB-OD1 3.18Å; S232-D234 PolarHBondContact O-N 2.97Å; S232-D234 PolarHBondContact OG-OD1 3.28Å
235Q85Confident89.6Confident108 Ų10858.1 Ų58.151%0.50533%0.327SS..G310 helixtrans-99.5-2.4-177.6-70.1174.3-20.600114S232 P233S232-Q235 VanDerWaalsContact N-OE1 3.08Å; S232-Q235 WeakPolarHBondContact O-CB 3.3Å; S232-Q235 PolarHBondContact O-N 2.99Å; S232-Q235 WeakPolarHBondContact OG-CG 2.91Å; S232-Q235 PolarHBondContact OG-OE1 2.84Å; P233-Q235 PolarHBondContact O-N 3.46Å
236V92.1Very high90.7Very high16 Ų1654 Ų5410%0.09733%0.326CS..SBendtrans-116.3153-178.3-66.40000110.9C231 P233 H238 V252 M254 W270 I277C231-V236 HydrophobicContact CB-CG1 3.76Å; P233-V236 WeakPolarHBondContact O-CG2 3.5Å; V236-H238 PolarHBondContact O-CD2 2.97Å; V236-V252 HydrophobicContact CB-CB 4.06Å; V236-V252 HydrophobicContact CB-CG1 4.49Å; V236-V252 HydrophobicContact CG2-CB 3.82Å; V236-V252 HydrophobicContact CG2-CG1 3.71Å; V236-V252 HydrophobicContact CG2-CG2 4.37Å; V236-M254 HydrophobicContact CG1-CE 3.8Å; V236-W270 HydrophobicContact CG2-CH2 3.6Å; V236-W270 HydrophobicContact CG2-CZ2 4.16Å; V236-W270 HydrophobicContact CG2-CZ3 4.13Å; V236-I277 HydrophobicContact CG1-CG2 4.43Å
237S96.8Very high91.9Very high72 Ų7252.9 Ų52.950%0.50332%0.318SS..EExtended strand (participates in β ladder)trans-77.8124.8173.1-176.50000109.4V252 E253S237-V252 CarbonylContact O-C 3.58Å; S237-V252 WeakPolarHBondContact O-CA 3.14Å; S237-E253 PolarHBondContact N-O 3.41Å; S237-E253 PolarHBondContact O-N 3.07Å
238H98.4Very high92.9Very high69 Ų6956.6 Ų56.632%0.31933%0.327SS..EExtended strand (participates in β ladder)trans-93.9130174-73.6-121.7000110P233 V236 H250 E297P233-H238 PolarHBondContact O-NE2 3.37Å; V236-H238 PolarHBondContact O-CD2 2.97Å; H238-H250 AromaticContact CE1-NE2 3.87Å; H238-H250 AromaticContact CG-NE2 3.66Å; H238-H250 AromaticContact ND1-CE1 3.75Å; H238-H250 AromaticContact ND1-NE2 3.01Å; H238-H250 PolarHBondContact ND1-NE2 2.84Å; H238-E297 IonicContact CE1-OE1 3.1Å; H238-E297 IonicContact ND1-OE1 3.48Å; H238-E297 PolarHBondContact ND1-OE1 3.08Å
239G98.3Very high93.5Very high11 Ų1155.8 Ų55.811%0.11332%0.322CS..EExtended strand (participates in β ladder)trans-127.3153.4175.700000112.6H250 Y251G239-H250 WeakPolarHBondContact O-CA 3.5Å; G239-H250 PolarHBondContact O-CD2 3.41Å; G239-Y251 VanDerWaalsContact C-CE1 3.4Å; G239-Y251 PolarHBondContact N-O 3.01Å; G239-Y251 VanDerWaalsContact O-CD1 3.28Å; G239-Y251 WeakPolarHBondContact O-CD1 3.38Å; G239-Y251 PolarHBondContact O-N 3.32Å
240H98.4Very high94.2Very high86 Ų8653.7 Ų53.740%0.39831%0.311SS..EExtended strand (participates in β ladder)trans-131.3129.7174.2-55.884.1000110.3T249 H250 E297H240-T249 CarbonylContact C-O 3.56Å; H240-T249 WeakPolarHBondContact CA-O 3.28Å; H240-H250 AromaticContact CD2-CD2 3.94Å; H240-H250 AromaticContact CE1-CD2 3.89Å; H240-H250 AromaticContact NE2-CD2 3.47Å; H240-H250 PolarHBondContact NE2-CD2 3.23Å; H240-E297 IonicContact CE1-OE2 3.89Å; H240-E297 PolarHBondContact CE1-OE2 2.95Å; H240-E297 IonicContact NE2-OE2 2.6Å; H240-E297 PolarHBondContact NE2-OE2 2.85Å
241V98.4Very high94.6Very high14 Ų1453.1 Ų53.19%0.08530%0.302CS..EExtended strand (participates in β ladder)trans-116.3120.6175.2174.20000109I243 R248 T249 Y251 F319 K322 M323V241-I243 HydrophobicContact CG1-CG2 3.97Å; V241-I243 PolarHBondContact O-N 2.94Å; V241-R248 CarbonylContact O-C 3.59Å; V241-R248 WeakPolarHBondContact O-CA 3.4Å; V241-T249 PolarHBondContact N-O 3.47Å; V241-T249 PolarHBondContact O-N 3.2Å; V241-Y251 HydrophobicContact CG2-CE1 3.9Å; V241-F319 HydrophobicContact CB-CD2 3.75Å; V241-F319 HydrophobicContact CB-CE2 3.96Å; V241-F319 HydrophobicContact CG1-CD2 4.1Å; V241-F319 HydrophobicContact CG2-CD2 3.91Å; V241-F319 HydrophobicContact CG2-CE2 3.67Å; V241-K322 HydrophobicContact CG1-CB 3.52Å; V241-K322 HydrophobicContact CG1-CG 4Å; V241-M323 HydrophobicContact CG2-CG 3.94Å; V241-M323 HydrophobicContact CG2-SD 3.54Å; V241-M323 VanDerWaalsContact CG2-SD 3.54Å
242T98.3Very high95.1Very high88 Ų8853 Ų5354%0.5430%0.301SS..EExtended strand (participates in β ladder)trans-76.8103.1168.6-59.70000108.8R244T242-R244 VanDerWaalsContact CG2-O 3.29Å; T242-R244 WeakPolarHBondContact CG2-O 3.18Å
243I95.9Very high95.6Very high11 Ų1153.6 Ų53.66%0.05630%0.3CS..EExtended strand (participates in β ladder)trans-80-29.2-176.554.7168.5000112.5V241 V247 D315 F319V241-I243 HydrophobicContact CG1-CG2 3.97Å; V241-I243 PolarHBondContact O-N 2.94Å; I243-V247 HydrophobicContact CD1-CG1 3.82Å; I243-V247 HydrophobicContact CG1-CB 4.21Å; I243-V247 HydrophobicContact CG1-CG1 3.92Å; I243-V247 WeakPolarHBondContact CG1-O 3.29Å; I243-V247 PolarHBondContact N-O 3.18Å; I243-D315 HydrophobicContact CD1-CB 3.5Å; I243-F319 HydrophobicContact CG2-CB 3.83Å
244R94.6Very high95.7Very high66 Ų6654.3 Ų54.325%0.24930%0.301CS..EExtended strand (participates in β ladder)trans-156.7169.2168.969173.9162.7-75.712.5109.9T242 G246 V247 E306 D315T242-R244 VanDerWaalsContact CG2-O 3.29Å; T242-R244 WeakPolarHBondContact CG2-O 3.18Å; R244-G246 PolarHBondContact O-N 2.79Å; R244-G246 VanDerWaalsContact O-N 3.16Å; R244-V247 HydrophobicContact CG-CB 3.82Å; R244-V247 HydrophobicContact CG-CG2 3.97Å; R244-V247 PolarHBondContact N-O 2.96Å; R244-V247 PolarHBondContact O-N 3.21Å; R244-E306 IonicContact CZ-OE2 2.69Å; R244-E306 IonicContact NH2-OE2 2.96Å; R244-E306 PolarHBondContact NH2-OE2 2.86Å; R244-D315 IonicContact CZ-OD1 3.98Å; R244-D315 IonicContact CZ-OD2 3.88Å; R244-D315 IonicContact NH1-OD1 3.21Å; R244-D315 PolarHBondContact NH1-OD1 2.8Å; R244-D315 IonicContact NH1-OD2 3.63Å; R244-D315 PolarHBondContact NH1-OD2 2.53Å; R244-D315 VanDerWaalsContact NH1-OD2 3.1Å; R244-D315 IonicContact NH2-OD1 3.91Å; R244-D315 PolarHBondContact NH2-OD1 3.32Å; R244-D315 IonicContact NH2-OD2 3.64Å; R244-D315 PolarHBondContact NH2-OD2 2.88Å
245P93.3Very high95.9Very high128 Ų12849.7 Ų49.783%0.83129%0.287SS*.THydrogen-bonded Turntrans-51.6124.5178.7-27.636.5000112.2V247P245-V247 VanDerWaalsContact C-N 3.28Å; P245-V247 PolarHBondContact O-N 2.89Å
246G90.2Very high96.1Very high71 Ų7148.6 Ų48.673%0.73229%0.291SS*.THydrogen-bonded Turntrans78-3.1178.600000116.2R244 T299R244-G246 PolarHBondContact O-N 2.79Å; R244-G246 VanDerWaalsContact O-N 3.16Å; G246-T299 WeakPolarHBondContact O-CG2 3.29Å
247V95.8Very high96.2Very high12 Ų1250 Ų507%0.07331%0.308CS..EExtended strand (participates in β ladder)trans-124.7119.5178.4-173.20000110.1I243 R244 P245 P301I243-V247 HydrophobicContact CD1-CG1 3.82Å; I243-V247 HydrophobicContact CG1-CB 4.21Å; I243-V247 HydrophobicContact CG1-CG1 3.92Å; I243-V247 WeakPolarHBondContact CG1-O 3.29Å; I243-V247 PolarHBondContact N-O 3.18Å; R244-V247 HydrophobicContact CG-CB 3.82Å; R244-V247 HydrophobicContact CG-CG2 3.97Å; R244-V247 PolarHBondContact N-O 2.96Å; R244-V247 PolarHBondContact O-N 3.21Å; P245-V247 VanDerWaalsContact C-N 3.28Å; P245-V247 PolarHBondContact O-N 2.89Å; V247-P301 HydrophobicContact CG2-CG 4.42Å
248R97.9Very high96.2Very high118 Ų11848.8 Ų48.845%0.44530%0.299SS..EExtended strand (participates in β ladder)trans-119150174.475.4-177.7-176.1-157.80.5111.3V241 E297 T299V241-R248 CarbonylContact O-C 3.59Å; V241-R248 WeakPolarHBondContact O-CA 3.4Å; R248-E297 PolarHBondContact NE-O 2.61Å; R248-E297 PolarHBondContact NH2-O 2.83Å; R248-T299 PolarHBondContact N-OG1 3.14Å; R248-T299 PolarHBondContact O-N 2.86Å; R248-T299 PolarHBondContact O-OG1 3.01Å
249T98.6Very high96.2Very high15 Ų1546.8 Ų46.89%0.09229%0.292CS..EExtended strand (participates in β ladder)trans-109.5123.8170.3-58.30000108.4H240 V241 L290 S298 F319H240-T249 CarbonylContact C-O 3.56Å; H240-T249 WeakPolarHBondContact CA-O 3.28Å; V241-T249 PolarHBondContact N-O 3.47Å; V241-T249 PolarHBondContact O-N 3.2Å; T249-L290 HydrophobicContact CG2-CD1 4.41Å; T249-L290 HydrophobicContact CG2-CD2 4.25Å; T249-S298 WeakPolarHBondContact CA-OG 3.4Å; T249-F319 HydrophobicContact CG2-CD2 4Å; T249-F319 HydrophobicContact CG2-CE2 4.22Å
250H98.8Very high96.2Very high0 Ų046.3 Ų46.30%029%0.287CS..EExtended strand (participates in β ladder)trans-84.7147.1165.2167.2-97.7000110.3H238 G239 H240 W270 D291 E297 S298H238-H250 AromaticContact CE1-NE2 3.87Å; H238-H250 AromaticContact CG-NE2 3.66Å; H238-H250 AromaticContact ND1-CE1 3.75Å; H238-H250 AromaticContact ND1-NE2 3.01Å; H238-H250 PolarHBondContact ND1-NE2 2.84Å; G239-H250 WeakPolarHBondContact O-CA 3.5Å; G239-H250 PolarHBondContact O-CD2 3.41Å; H240-H250 AromaticContact CD2-CD2 3.94Å; H240-H250 AromaticContact CE1-CD2 3.89Å; H240-H250 AromaticContact NE2-CD2 3.47Å; H240-H250 PolarHBondContact NE2-CD2 3.23Å; H250-W270 AromaticContact CE1-CD1 3.51Å; H250-W270 AromaticContact CE1-NE1 3.58Å; H250-W270 AromaticContact ND1-CD1 3.89Å; H250-D291 HydrophobicContact CB-CB 4.35Å; H250-D291 IonicContact CE1-OD2 2.96Å; H250-D291 IonicContact ND1-OD2 3.28Å; H250-D291 PolarHBondContact ND1-OD2 3.4Å; H250-D291 VanDerWaalsContact ND1-OD2 3.16Å; H250-D291 PolarHBondContact O-N 3.36Å; H250-D291 VanDerWaalsContact O-N 3.08Å; H250-E297 HydrophobicContact CB-CB 3.57Å; H250-E297 IonicContact CD2-OE1 2.91Å; H250-E297 IonicContact CD2-OE2 3.36Å; H250-E297 IonicContact NE2-OE1 3.35Å; H250-S298 PolarHBondContact N-OG 2.93Å
251Y98.8Very high96.3Very high23 Ų2342.2 Ų42.29%0.0927%0.268CS..EExtended strand (participates in β ladder)trans-148.116017166.9-77000110.1G239 V241 E253 L288 A289 L290 F319 M323G239-Y251 VanDerWaalsContact C-CE1 3.4Å; G239-Y251 PolarHBondContact N-O 3.01Å; G239-Y251 VanDerWaalsContact O-CD1 3.28Å; G239-Y251 WeakPolarHBondContact O-CD1 3.38Å; G239-Y251 PolarHBondContact O-N 3.32Å; V241-Y251 HydrophobicContact CG2-CE1 3.9Å; Y251-E253 HydrophobicContact CD2-CB 4.14Å; Y251-E253 HydrophobicContact CE2-CB 3.91Å; Y251-L288 HydrophobicContact CD2-CD2 3.45Å; Y251-L288 VanDerWaalsContact CD2-CD2 3.45Å; Y251-L288 HydrophobicContact CE2-CD2 3.43Å; Y251-L288 VanDerWaalsContact CE2-CD2 3.43Å; Y251-L288 HydrophobicContact CG-CD2 4.46Å; Y251-A289 CarbonylContact C-O 3.6Å; Y251-A289 VanDerWaalsContact CA-O 3.25Å; Y251-A289 WeakPolarHBondContact CA-O 3.32Å; Y251-L290 HydrophobicContact CG-CD2 4.47Å; Y251-F319 AromaticContact CD1-CE2 3.62Å; Y251-F319 HydrophobicContact CD1-CE2 3.62Å; Y251-F319 AromaticContact CD1-CZ 3.84Å; Y251-F319 HydrophobicContact CD1-CZ 3.84Å; Y251-F319 HydrophobicContact CE1-CE2 4.02Å; Y251-F319 HydrophobicContact CE1-CZ 4.23Å; Y251-F319 HydrophobicContact CG-CE2 4.21Å; Y251-F319 HydrophobicContact CG-CZ 4.01Å; Y251-M323 HydrophobicContact CE1-CE 4.3Å; Y251-M323 HydrophobicContact CE1-SD 4.27Å; Y251-M323 HydrophobicContact CE2-CE 3.9Å; Y251-M323 WeakPolarHBondContact OH-CE 3.16Å
252V98.8Very high96.3Very high1 Ų141.5 Ų41.51%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-108.7150.9162.5-56.10000111V236 S237 W270 I277 L288 A289V236-V252 HydrophobicContact CB-CB 4.06Å; V236-V252 HydrophobicContact CB-CG1 4.49Å; V236-V252 HydrophobicContact CG2-CB 3.82Å; V236-V252 HydrophobicContact CG2-CG1 3.71Å; V236-V252 HydrophobicContact CG2-CG2 4.37Å; S237-V252 CarbonylContact O-C 3.58Å; S237-V252 WeakPolarHBondContact O-CA 3.14Å; V252-W270 HydrophobicContact CB-CD2 4.28Å; V252-W270 HydrophobicContact CB-CE3 4.22Å; V252-W270 HydrophobicContact CB-CZ3 4.43Å; V252-W270 HydrophobicContact CG1-CD2 3.6Å; V252-W270 VanDerWaalsContact CG1-CE2 3.47Å; V252-W270 HydrophobicContact CG1-CE3 3.96Å; V252-W270 HydrophobicContact CG1-CG 4.1Å; V252-W270 HydrophobicContact CG1-CH2 4.06Å; V252-W270 HydrophobicContact CG1-CZ2 3.73Å; V252-W270 HydrophobicContact CG1-CZ3 4.17Å; V252-W270 HydrophobicContact CG2-CB 4.46Å; V252-W270 HydrophobicContact CG2-CD2 3.64Å; V252-W270 HydrophobicContact CG2-CE3 3.26Å; V252-W270 HydrophobicContact CG2-CG 4.18Å; V252-W270 HydrophobicContact CG2-CH2 4.38Å; V252-W270 HydrophobicContact CG2-CZ3 3.68Å; V252-I277 HydrophobicContact CG2-CD1 3.87Å; V252-L288 CarbonylContact O-C 3.5Å; V252-L288 WeakPolarHBondContact O-CA 3.43Å; V252-A289 HydrophobicContact CG2-CB 3.79Å; V252-A289 PolarHBondContact N-O 2.86Å; V252-A289 PolarHBondContact O-N 3.16Å
253E98.4Very high96.3Very high42 Ų4237.3 Ų37.320%0.19624%0.238CC..EExtended strand (participates in β ladder)trans-132.7137-175-174.3169.5-141.400112.2S237 Y251 R286 V287 L288S237-E253 PolarHBondContact N-O 3.41Å; S237-E253 PolarHBondContact O-N 3.07Å; Y251-E253 HydrophobicContact CD2-CB 4.14Å; Y251-E253 HydrophobicContact CE2-CB 3.91Å; E253-R286 IonicContact OE1-CZ 3.17Å; E253-R286 IonicContact OE1-NE 2.73Å; E253-R286 PolarHBondContact OE1-NE 3.47Å; E253-R286 IonicContact OE1-NH2 2.74Å; E253-R286 PolarHBondContact OE1-NH2 3.37Å; E253-V287 VanDerWaalsContact CA-O 3.3Å; E253-V287 WeakPolarHBondContact CA-O 3.3Å; E253-L288 HydrophobicContact CB-CD2 4.28Å; E253-L288 HydrophobicContact CG-CD2 4.07Å
254M95.1Very high96.5Very high50 Ų5036.9 Ų36.925%0.24624%0.236CC..EExtended strand (participates in β ladder)trans-150.8144.6174-170.7177.5-86.800110.8V236 I277 P278 A281 V287V236-M254 HydrophobicContact CG1-CE 3.8Å; M254-I277 HydrophobicContact CB-CG2 3.69Å; M254-I277 HydrophobicContact CG-CG2 4.44Å; M254-I277 HydrophobicContact SD-CG2 3.99Å; M254-P278 HydrophobicContact SD-CB 4.08Å; M254-A281 HydrophobicContact CB-CB 4.13Å; M254-A281 HydrophobicContact CG-CB 3.61Å; M254-A281 HydrophobicContact SD-CB 4.05Å; M254-V287 PolarHBondContact N-O 2.86Å; M254-V287 VanDerWaalsContact N-O 3.15Å; M254-V287 PolarHBondContact O-N 2.86Å
255G92Very high96.7Very high43 Ų4333.8 Ų33.844%0.44322%0.224SC..  trans84-178.1175.100000114.5
256S90Very high96.9Very high84 Ų8428.1 Ų28.159%0.58719%0.187SC*.  trans-141.4159.7-179.361.60000109.5G284 F285 R286S256-G284 CarbonylContact O-C 3.58Å; S256-F285 PolarHBondContact N-O 3.15Å; S256-F285 CarbonylContact O-C 3.59Å; S256-F285 WeakPolarHBondContact O-CA 3.47Å; S256-F285 PolarHBondContact O-N 3.02Å; S256-R286 PolarHBondContact O-N 3.49Å
257G93.9Very high97.3Very high45 Ų4524.7 Ų24.746%0.46415%0.152SC..SBendtrans115.9-158.8-176.500000112.9R286G257-R286 VanDerWaalsContact O-CB 3.32Å; G257-R286 WeakPolarHBondContact O-CB 3.46Å
258P97.1Very high97.4Very high47 Ų4724.1 Ų24.131%0.30515%0.148SC..SBendtrans-57.2135.7178.5-23.933.9000111.7V260 F285 R286 H549P258-V260 PolarHBondContact O-N 3.18Å; P258-F285 HydrophobicContact CB-CD1 4.16Å; P258-F285 HydrophobicContact CB-CE1 4.45Å; P258-F285 HydrophobicContact CG-CD1 4.33Å; P258-F285 HydrophobicContact CG-CE1 4.36Å; P258-R286 PolarHBondContact O-N 2.92Å; P258-H549 HydrophobicContact CG-CB 4.34Å
259P98.3Very high97.4Very high28 Ų2818.5 Ų18.518%0.18213%0.127CC..EExtended strand (participates in β ladder)trans-74.6125.3-175.729.1-33.8000111.8R286 L288 I325 Q327 V328 T329P259-R286 CarbonylContact C-O 3.5Å; P259-R286 WeakPolarHBondContact CA-O 3.21Å; P259-L288 HydrophobicContact CB-CD1 4.37Å; P259-I325 HydrophobicContact CB-CD1 4.44Å; P259-I325 HydrophobicContact CB-CG2 4.21Å; P259-I325 HydrophobicContact CG-CG2 3.75Å; P259-Q327 WeakPolarHBondContact CG-O 3.25Å; P259-V328 HydrophobicContact CB-CG1 4.26Å; P259-V328 HydrophobicContact CG-CG1 4.25Å; P259-T329 PolarHBondContact O-N 3.22Å
260V98.9Very high97.4Very high0 Ų017.8 Ų17.80%012%0.123CC..EExtended strand (participates in β ladder)trans-116.5117.7174-177.90000108.2P258 L262 L280 F285 R286 V287 L288 T329 V331 L545P258-V260 PolarHBondContact O-N 3.18Å; V260-L262 HydrophobicContact CG1-CD2 3.83Å; V260-L280 HydrophobicContact CG1-CD1 4.37Å; V260-F285 HydrophobicContact CG2-CB 3.85Å; V260-F285 HydrophobicContact CG2-CD1 3.86Å; V260-F285 HydrophobicContact CG2-CG 3.99Å; V260-R286 PolarHBondContact N-O 3.28Å; V260-V287 WeakPolarHBondContact O-CA 3.44Å; V260-L288 PolarHBondContact O-N 3.07Å; V260-T329 WeakPolarHBondContact CA-O 3.32Å; V260-V331 HydrophobicContact CG1-CG2 3.79Å; V260-L545 HydrophobicContact CG2-CD1 4.23Å; V260-L545 HydrophobicContact CG2-CD2 3.89Å
261L98.8Very high97.4Very high0 Ų018.4 Ų18.40%013%0.125CC..EExtended strand (participates in β ladder)trans-107123.6-177.8-174.3145.6000110.1C263 L288 L290 L316 F319 T329 L330 V331L261-C263 WeakPolarHBondContact CD2-SG 3.41Å; L261-L288 CarbonylContact C-O 3.49Å; L261-L288 VanDerWaalsContact CA-O 3.3Å; L261-L288 WeakPolarHBondContact CA-O 3.36Å; L261-L288 HydrophobicContact CB-CB 4.47Å; L261-L288 HydrophobicContact CD1-CB 4.46Å; L261-L288 HydrophobicContact CG-CB 4.43Å; L261-L290 HydrophobicContact CD1-CD1 4.14Å; L261-L290 HydrophobicContact CD1-CD2 4.11Å; L261-L290 HydrophobicContact CD1-CG 4.27Å; L261-L290 HydrophobicContact CD2-CD1 3.71Å; L261-L290 HydrophobicContact CD2-CG 4.02Å; L261-L290 HydrophobicContact CG-CD1 4.14Å; L261-L290 HydrophobicContact CG-CD2 4.3Å; L261-L290 HydrophobicContact CG-CG 4.05Å; L261-L316 HydrophobicContact CD1-CD1 4.06Å; L261-L316 HydrophobicContact CD2-CD1 3.85Å; L261-L316 HydrophobicContact CD2-CD2 4.4Å; L261-F319 HydrophobicContact CD1-CD1 3.91Å; L261-F319 HydrophobicContact CD1-CE1 3.57Å; L261-T329 PolarHBondContact N-O 2.86Å; L261-L330 HydrophobicContact CB-CD2 3.93Å; L261-L330 HydrophobicContact CD2-CD2 3.52Å; L261-L330 HydrophobicContact CG-CD2 4.29Å; L261-V331 PolarHBondContact O-N 2.66Å
262L98.9Very high97.4Very high0 Ų017.3 Ų17.30%012%0.121CC..EExtended strand (participates in β ladder)trans-102.7122.9-174.4-48.7-177.7000110.4V260 W273 I277 L280 V287 L288 A289 L290 V331V260-L262 HydrophobicContact CG1-CD2 3.83Å; L262-W273 HydrophobicContact CB-CD2 3.89Å; L262-W273 HydrophobicContact CB-CG 3.9Å; L262-W273 HydrophobicContact CD1-CB 3.69Å; L262-W273 HydrophobicContact CD1-CD2 3.88Å; L262-W273 HydrophobicContact CD1-CE3 4.02Å; L262-W273 HydrophobicContact CD1-CG 3.75Å; L262-W273 HydrophobicContact CG-CD2 4.37Å; L262-W273 HydrophobicContact CG-CG 4.45Å; L262-I277 HydrophobicContact CD1-CG1 4.17Å; L262-L280 HydrophobicContact CD1-CD1 4.42Å; L262-L280 HydrophobicContact CD2-CD1 4.12Å; L262-V287 HydrophobicContact CD1-CG1 3.61Å; L262-V287 HydrophobicContact CG-CG1 3.96Å; L262-L288 PolarHBondContact N-O 3.07Å; L262-A289 HydrophobicContact CB-CB 4.14Å; L262-A289 HydrophobicContact CD1-CB 4.18Å; L262-A289 HydrophobicContact CG-CB 4.48Å; L262-L290 PolarHBondContact O-N 3.02Å; L262-L290 VanDerWaalsContact O-N 3.11Å; L262-V331 CarbonylContact C-O 3.53Å; L262-V331 WeakPolarHBondContact CA-O 3.5Å; L262-V331 HydrophobicContact CD2-CB 3.68Å; L262-V331 HydrophobicContact CD2-CG1 4.32Å; L262-V331 HydrophobicContact CD2-CG2 3.97Å
263C98.9Very high97.4Very high0 Ų017.3 Ų17.30%012%0.12CC..EExtended strand (participates in β ladder)trans-113.3110-179.8-62.70000109.8L261 M292 V331 G332 H333 V340L261-C263 WeakPolarHBondContact CD2-SG 3.41Å; C263-M292 HydrophobicContact CB-CE 4.14Å; C263-M292 HydrophobicContact CB-SD 3.82Å; C263-V331 PolarHBondContact N-O 2.7Å; C263-G332 WeakPolarHBondContact O-CA 3.1Å; C263-H333 PolarHBondContact O-N 3.2Å; C263-V340 HydrophobicContact CB-CG1 4.15Å
264H98.9Very high97.4Very high2 Ų215.3 Ų15.31%0.00911%0.111CC..  trans-75.8171.5175.671.376000112.4E268 W270 L290 M292 Y295 H333 G336H264-E268 HydrophobicContact CB-CB 3.96Å; H264-W270 PolarHBondContact CD2-N 2.77Å; H264-L290 PolarHBondContact CD2-O 3.47Å; H264-M292 PolarHBondContact NE2-N 3.26Å; H264-Y295 AromaticContact CE1-CD1 3.69Å; H264-Y295 AromaticContact CE1-CD2 3.62Å; H264-Y295 AromaticContact CE1-CE2 3.96Å; H264-Y295 AromaticContact CE1-CG 3.46Å; H264-Y295 VanDerWaalsContact CE1-CG 3.46Å; H264-Y295 AromaticContact NE2-CG 4Å; H264-H333 CarbonylContact C-O 3.56Å; H264-G336 WeakPolarHBondContact O-CA 3.17Å; H264-G336 PolarHBondContact O-N 2.64Å
265G98.6Very high97.4Very high1 Ų113.9 Ų13.91%0.0110%0.103CC..  trans-105.6-151.8176.600000114.6E268 H333 D334G265-E268 VanDerWaalsContact CA-OE1 3.24Å; G265-E268 WeakPolarHBondContact CA-OE1 3.46Å; G265-E268 PolarHBondContact N-OE1 3.23Å; G265-E268 WeakPolarHBondContact O-CB 3.48Å; G265-E268 PolarHBondContact O-N 2.96Å; G265-H333 WeakPolarHBondContact CA-O 3.3Å; G265-H333 PolarHBondContact N-O 2.88Å; G265-D334 WeakPolarHBondContact CA-OD1 3.46Å
266F98.6Very high97.7Very high8 Ų811.8 Ų11.84%0.0358%0.082CC..THydrogen-bonded Turntrans-106.2138.5-177.8172.9-86.6000112.5Y295 D334 F386 L396 F462 P465 L466 Y469 W528F266-Y295 WeakPolarHBondContact CD2-OH 3.44Å; F266-D334 PolarHBondContact N-OD1 2.72Å; F266-F386 HydrophobicContact CD1-CE2 4.28Å; F266-F386 HydrophobicContact CE1-CD2 4.48Å; F266-F386 AromaticContact CE1-CE2 3.49Å; F266-F386 HydrophobicContact CE1-CE2 3.49Å; F266-F386 VanDerWaalsContact CE1-CE2 3.49Å; F266-F386 AromaticContact CE1-CZ 3.83Å; F266-F386 HydrophobicContact CE1-CZ 3.83Å; F266-F386 AromaticContact CZ-CE2 3.81Å; F266-F386 HydrophobicContact CZ-CE2 3.81Å; F266-F386 HydrophobicContact CZ-CZ 4.09Å; F266-L396 HydrophobicContact CZ-CD1 4.01Å; F266-F462 HydrophobicContact CE2-CD1 4.27Å; F266-F462 HydrophobicContact CZ-CD1 4.23Å; F266-P465 HydrophobicContact CD2-CB 3.69Å; F266-P465 HydrophobicContact CE2-CB 3.66Å; F266-L466 HydrophobicContact CE2-CD2 3.91Å; F266-L466 HydrophobicContact CE2-CG 3.99Å; F266-L466 HydrophobicContact CZ-CD2 3.71Å; F266-L466 HydrophobicContact CZ-CG 4.19Å; F266-Y469 HydrophobicContact CB-CE2 3.92Å; F266-Y469 AromaticContact CD1-CE2 3.67Å; F266-Y469 HydrophobicContact CD1-CE2 3.67Å; F266-Y469 AromaticContact CD1-CZ 3.94Å; F266-Y469 WeakPolarHBondContact CD1-OH 3.15Å; F266-Y469 HydrophobicContact CD2-CD2 4.49Å; F266-Y469 AromaticContact CD2-CE2 3.74Å; F266-Y469 HydrophobicContact CD2-CE2 3.74Å; F266-Y469 HydrophobicContact CE1-CE2 4.1Å; F266-Y469 HydrophobicContact CE2-CE2 4.14Å; F266-Y469 AromaticContact CG-CE2 3.5Å; F266-Y469 HydrophobicContact CG-CE2 3.5Å; F266-Y469 HydrophobicContact CZ-CE2 4.31Å; F266-W528 WeakPolarHBondContact O-CH2 3.27Å
267P97.6Very high98.1Very high0 Ų07.9 Ų7.90%05%0.054CC..THydrogen-bonded Turncis-98.395.7-17.729.9-17.6000109.9F407 F457 F462P267-F407 HydrophobicContact CG-CD2 3.48Å; P267-F407 VanDerWaalsContact CG-CD2 3.48Å; P267-F407 HydrophobicContact CG-CE2 3.38Å; P267-F407 HydrophobicContact CG-CG 4.34Å; P267-F407 HydrophobicContact CG-CZ 4.19Å; P267-F457 HydrophobicContact CB-CE1 3.83Å; P267-F457 HydrophobicContact CB-CZ 3.83Å; P267-F462 HydrophobicContact CB-CD1 4.15Å; P267-F462 HydrophobicContact CB-CE1 3.51Å; P267-F462 HydrophobicContact CB-CZ 4.39Å; P267-F462 HydrophobicContact CG-CE1 3.76Å
268E98.4Very high98.1Very high0 Ų06.5 Ų6.50%04%0.037CC..  trans-118.8-157.5-168.1-64.1-172-84.100113.3H264 G265 S272 Y295 H333 F408 F457 W528H264-E268 HydrophobicContact CB-CB 3.96Å; G265-E268 VanDerWaalsContact CA-OE1 3.24Å; G265-E268 WeakPolarHBondContact CA-OE1 3.46Å; G265-E268 PolarHBondContact N-OE1 3.23Å; G265-E268 WeakPolarHBondContact O-CB 3.48Å; G265-E268 PolarHBondContact O-N 2.96Å; E268-S272 WeakPolarHBondContact CB-OG 3.37Å; E268-S272 WeakPolarHBondContact OE2-CB 3.35Å; E268-S272 PolarHBondContact OE2-OG 3.16Å; E268-Y295 VanDerWaalsContact O-CD1 3.3Å; E268-Y295 WeakPolarHBondContact O-CD1 3.29Å; E268-H333 IonicContact OE1-CE1 3.32Å; E268-H333 PolarHBondContact OE1-CE1 3.2Å; E268-H333 IonicContact OE1-ND1 2.7Å; E268-H333 PolarHBondContact OE1-ND1 2.91Å; E268-H333 IonicContact OE2-ND1 3.09Å; E268-F408 HydrophobicContact CG-CE1 4.22Å; E268-F408 HydrophobicContact CG-CZ 4.33Å; E268-F457 VanDerWaalsContact O-CE2 3.29Å; E268-F457 WeakPolarHBondContact O-CE2 3.31Å; E268-F457 WeakPolarHBondContact O-CZ 3.09Å; E268-W528 HydrophobicContact CG-CE3 4.21Å; E268-W528 HydrophobicContact CG-CZ3 3.65Å
269S98.6Very high97.8Very high0 Ų05.3 Ų5.30%03%0.032CC..  trans-156.2169.4175.3170.80000108.7Y271 S272 D291S269-Y271 PolarHBondContact O-N 3.21Å; S269-Y271 PolarHBondContact OG-N 2.61Å; S269-S272 WeakPolarHBondContact O-CB 3.34Å; S269-S272 PolarHBondContact O-N 3.02Å; S269-D291 PolarHBondContact OG-OD1 3Å
270W98.7Very high97.7Very high0 Ų04 Ų40%02%0.023CC..G310 helixtrans-46-32.1164.176-102.5000112P233 V236 H250 V252 H264 S272 W273 I277 A289 L290 D291 Y452P233-W270 HydrophobicContact CB-CH2 4.42Å; P233-W270 HydrophobicContact CB-CZ2 4.13Å; P233-W270 HydrophobicContact CG-CH2 4.45Å; P233-W270 HydrophobicContact CG-CZ2 4.3Å; V236-W270 HydrophobicContact CG2-CH2 3.6Å; V236-W270 HydrophobicContact CG2-CZ2 4.16Å; V236-W270 HydrophobicContact CG2-CZ3 4.13Å; H250-W270 AromaticContact CE1-CD1 3.51Å; H250-W270 AromaticContact CE1-NE1 3.58Å; H250-W270 AromaticContact ND1-CD1 3.89Å; V252-W270 HydrophobicContact CB-CD2 4.28Å; V252-W270 HydrophobicContact CB-CE3 4.22Å; V252-W270 HydrophobicContact CB-CZ3 4.43Å; V252-W270 HydrophobicContact CG1-CD2 3.6Å; V252-W270 VanDerWaalsContact CG1-CE2 3.47Å; V252-W270 HydrophobicContact CG1-CE3 3.96Å; V252-W270 HydrophobicContact CG1-CG 4.1Å; V252-W270 HydrophobicContact CG1-CH2 4.06Å; V252-W270 HydrophobicContact CG1-CZ2 3.73Å; V252-W270 HydrophobicContact CG1-CZ3 4.17Å; V252-W270 HydrophobicContact CG2-CB 4.46Å; V252-W270 HydrophobicContact CG2-CD2 3.64Å; V252-W270 HydrophobicContact CG2-CE3 3.26Å; V252-W270 HydrophobicContact CG2-CG 4.18Å; V252-W270 HydrophobicContact CG2-CH2 4.38Å; V252-W270 HydrophobicContact CG2-CZ3 3.68Å; H264-W270 PolarHBondContact CD2-N 2.77Å; W270-S272 PolarHBondContact O-N 3.34Å; W270-W273 WeakPolarHBondContact O-CB 3.3Å; W270-W273 PolarHBondContact O-N 3.27Å; W270-I277 HydrophobicContact CE3-CD1 3.69Å; W270-I277 HydrophobicContact CZ3-CD1 3.82Å; W270-A289 HydrophobicContact CB-CB 4.1Å; W270-L290 WeakPolarHBondContact CB-O 3.34Å; W270-D291 VanDerWaalsContact CD1-OD1 3.27Å; W270-D291 PolarHBondContact N-OD1 2.99Å; W270-Y452 VanDerWaalsContact CE2-OH 3.3Å; W270-Y452 AromaticContact NE1-CZ 3.98Å; W270-Y452 PolarHBondContact NE1-OH 3.07Å
271Y98.4Very high97.4Very high13 Ų134.7 Ų4.75%0.0513%0.029CC..G310 helixtrans-67-14.6-178-161.4-116.2000115C231 P233 S269 W273 R274 D449 Y452 Y453C231-Y271 WeakPolarHBondContact O-CE2 3.11Å; P233-Y271 HydrophobicContact CG-CD2 4.37Å; P233-Y271 HydrophobicContact CG-CE2 4.05Å; S269-Y271 PolarHBondContact O-N 3.21Å; S269-Y271 PolarHBondContact OG-N 2.61Å; Y271-W273 PolarHBondContact O-N 3.27Å; Y271-R274 HydrophobicContact CD2-CB 4.06Å; Y271-R274 VanDerWaalsContact CE1-CD 3.48Å; Y271-R274 HydrophobicContact CE2-CB 3.93Å; Y271-R274 VanDerWaalsContact CZ-CD 3.41Å; Y271-R274 VanDerWaalsContact O-CB 3.3Å; Y271-R274 WeakPolarHBondContact O-CB 3.14Å; Y271-R274 WeakPolarHBondContact O-CG 3.28Å; Y271-R274 PolarHBondContact O-N 3.32Å; Y271-R274 PolarHBondContact O-NH1 3.17Å; Y271-D449 HydrophobicContact CE1-CB 4.21Å; Y271-D449 PolarHBondContact OH-OD1 3.2Å; Y271-Y452 AromaticContact CD1-CD1 3.48Å; Y271-Y452 HydrophobicContact CD1-CD1 3.48Å; Y271-Y452 VanDerWaalsContact CD1-CD1 3.48Å; Y271-Y452 AromaticContact CD1-CE1 3.98Å; Y271-Y452 HydrophobicContact CD1-CE1 3.98Å; Y271-Y452 HydrophobicContact CD1-CG 4.01Å; Y271-Y452 HydrophobicContact CD2-CD1 4.47Å; Y271-Y452 HydrophobicContact CD2-CE1 4.34Å; Y271-Y452 HydrophobicContact CE1-CD1 4.22Å; Y271-Y452 HydrophobicContact CE1-CG 4.3Å; Y271-Y452 AromaticContact CG-CD1 3.63Å; Y271-Y452 HydrophobicContact CG-CD1 3.63Å; Y271-Y452 AromaticContact CG-CE1 3.62Å; Y271-Y452 HydrophobicContact CG-CE1 3.62Å; Y271-Y452 HydrophobicContact CG-CG 4.29Å; Y271-Y453 HydrophobicContact CD1-CE2 4.04Å
272S98.6Very high96.8Very high0 Ų08.4 Ų8.40%06%0.06CC..G310 helixtrans-63.5-23.3168.4-70.50000112.2E268 S269 W270 R274 Y453 Q530E268-S272 WeakPolarHBondContact CB-OG 3.37Å; E268-S272 WeakPolarHBondContact OE2-CB 3.35Å; E268-S272 PolarHBondContact OE2-OG 3.16Å; S269-S272 WeakPolarHBondContact O-CB 3.34Å; S269-S272 PolarHBondContact O-N 3.02Å; W270-S272 PolarHBondContact O-N 3.34Å; S272-R274 VanDerWaalsContact C-N 3.34Å; S272-Y453 VanDerWaalsContact CA-OH 3.26Å; S272-Y453 WeakPolarHBondContact CA-OH 3.41Å; S272-Y453 PolarHBondContact N-OH 3.08Å; S272-Y453 PolarHBondContact OG-OH 3.38Å; S272-Q530 VanDerWaalsContact O-CB 3.3Å; S272-Q530 WeakPolarHBondContact O-CB 3.37Å
273W98.8Very high96.2Very high0 Ų09.3 Ų9.30%07%0.067CC..G310 helixtrans-90.411.2176.9-60102.7000114L262 W270 Y271 Y275 Q276 I277 A289 V331 H333 L357 Q530L262-W273 HydrophobicContact CB-CD2 3.89Å; L262-W273 HydrophobicContact CB-CG 3.9Å; L262-W273 HydrophobicContact CD1-CB 3.69Å; L262-W273 HydrophobicContact CD1-CD2 3.88Å; L262-W273 HydrophobicContact CD1-CE3 4.02Å; L262-W273 HydrophobicContact CD1-CG 3.75Å; L262-W273 HydrophobicContact CG-CD2 4.37Å; L262-W273 HydrophobicContact CG-CG 4.45Å; W270-W273 WeakPolarHBondContact O-CB 3.3Å; W270-W273 PolarHBondContact O-N 3.27Å; Y271-W273 PolarHBondContact O-N 3.27Å; W273-Y275 PolarHBondContact O-N 3.04Å; W273-Q276 HydrophobicContact CE3-CB 4.03Å; W273-Q276 HydrophobicContact CE3-CG 3.85Å; W273-Q276 HydrophobicContact CZ3-CG 4.25Å; W273-Q276 PolarHBondContact O-N 3.4Å; W273-I277 HydrophobicContact CB-CD1 4.08Å; W273-I277 HydrophobicContact CB-CG1 4.08Å; W273-I277 WeakPolarHBondContact O-CG1 3.38Å; W273-I277 PolarHBondContact O-N 2.92Å; W273-A289 HydrophobicContact CB-CB 4.49Å; W273-V331 HydrophobicContact CH2-CG1 3.95Å; W273-V331 HydrophobicContact CZ3-CG1 4.24Å; W273-H333 HydrophobicContact CH2-CB 4.06Å; W273-H333 HydrophobicContact CZ2-CB 3.88Å; W273-L357 HydrophobicContact CH2-CD1 3.55Å; W273-L357 HydrophobicContact CH2-CG 4.2Å; W273-L357 HydrophobicContact CZ3-CD1 3.68Å; W273-Q530 HydrophobicContact CD2-CG 4.03Å; W273-Q530 HydrophobicContact CE3-CB 4.42Å; W273-Q530 HydrophobicContact CE3-CG 3.54Å; W273-Q530 HydrophobicContact CH2-CG 3.76Å; W273-Q530 HydrophobicContact CZ2-CG 4.22Å; W273-Q530 HydrophobicContact CZ3-CG 3.4Å
274R97.8Very high95.7Very high0 Ų011 Ų110%08%0.084CC..THydrogen-bonded Turntrans-55.9-26.4-172.865.9-172.3174-77.41.4114.9A230 C231 Y271 S272 P278 M444 D449 Y453 M531A230-R274 CarbonylContact C-O 3.52Å; A230-R274 VanDerWaalsContact CA-O 3.28Å; A230-R274 WeakPolarHBondContact CA-O 3.49Å; A230-R274 HydrophobicContact CB-CB 4.33Å; A230-R274 HydrophobicContact CB-CG 4.02Å; C231-R274 PolarHBondContact N-O 3.24Å; Y271-R274 HydrophobicContact CD2-CB 4.06Å; Y271-R274 VanDerWaalsContact CE1-CD 3.48Å; Y271-R274 HydrophobicContact CE2-CB 3.93Å; Y271-R274 VanDerWaalsContact CZ-CD 3.41Å; Y271-R274 VanDerWaalsContact O-CB 3.3Å; Y271-R274 WeakPolarHBondContact O-CB 3.14Å; Y271-R274 WeakPolarHBondContact O-CG 3.28Å; Y271-R274 PolarHBondContact O-N 3.32Å; Y271-R274 PolarHBondContact O-NH1 3.17Å; S272-R274 VanDerWaalsContact C-N 3.34Å; R274-P278 WeakPolarHBondContact O-CD 3.35Å; R274-M444 PolarHBondContact NH2-O 3Å; R274-D449 IonicContact CZ-OD2 2.91Å; R274-D449 IonicContact NE-OD2 2.86Å; R274-D449 IonicContact NH2-OD2 3.9Å; R274-D449 PolarHBondContact NH2-OD2 3.03Å; R274-Y453 PolarHBondContact NH1-OH 3.42Å; R274-M531 PolarHBondContact NH1-SD 2.96Å; R274-M531 VanDerWaalsContact NH2-CE 3.29Å
275Y96.4Very high95.6Very high20 Ų2011.3 Ų11.38%0.0789%0.085CC..THydrogen-bonded Turntrans-86.3-25.3176.4-63.6-68.4000113.4P227 P228 A230 W273 P534 N538P227-Y275 HydrophobicContact CB-CD1 4.48Å; P227-Y275 HydrophobicContact CB-CE1 3.77Å; P227-Y275 HydrophobicContact CG-CE1 4.39Å; P228-Y275 HydrophobicContact CB-CD1 4.37Å; P228-Y275 WeakPolarHBondContact O-CD1 3.49Å; P228-Y275 VanDerWaalsContact O-CE1 3.3Å; P228-Y275 WeakPolarHBondContact O-CE1 3.42Å; A230-Y275 HydrophobicContact CB-CD1 3.81Å; A230-Y275 HydrophobicContact CB-CE1 3.59Å; W273-Y275 PolarHBondContact O-N 3.04Å; Y275-P534 HydrophobicContact CD1-CB 4.29Å; Y275-P534 HydrophobicContact CD2-CB 3.8Å; Y275-P534 HydrophobicContact CD2-CG 4.32Å; Y275-P534 HydrophobicContact CG-CB 3.64Å; Y275-P534 HydrophobicContact CG-CG 4.34Å; Y275-N538 PolarHBondContact O-ND2 3.31Å; Y275-N538 PolarHBondContact O-OD1 3.34Å
276Q98.4Very high95.5Very high0 Ų014.5 Ų14.50%010%0.097CC..Hα-helixtrans-86.7-39.8-178.3-70.66346.100110.9W273 A279 L280 Q530 T537 N538 L541W273-Q276 HydrophobicContact CE3-CB 4.03Å; W273-Q276 HydrophobicContact CE3-CG 3.85Å; W273-Q276 HydrophobicContact CZ3-CG 4.25Å; W273-Q276 PolarHBondContact O-N 3.4Å; Q276-A279 PolarHBondContact O-N 3.12Å; Q276-L280 HydrophobicContact CB-CD1 4.29Å; Q276-L280 HydrophobicContact CB-CG 4.47Å; Q276-L280 VanDerWaalsContact O-CB 3.32Å; Q276-L280 WeakPolarHBondContact O-CB 3.25Å; Q276-L280 VanDerWaalsContact O-CG 3.24Å; Q276-L280 WeakPolarHBondContact O-CG 3.42Å; Q276-L280 PolarHBondContact O-N 3.22Å; Q276-Q530 PolarHBondContact NE2-O 2.89Å; Q276-Q530 VanDerWaalsContact NE2-O 3.14Å; Q276-T537 HydrophobicContact CG-CG2 4.16Å; Q276-N538 WeakPolarHBondContact CA-OD1 3.25Å; Q276-N538 WeakPolarHBondContact CG-OD1 3.31Å; Q276-N538 PolarHBondContact NE2-OD1 3.14Å; Q276-L541 HydrophobicContact CG-CD1 4.21Å
277I98.1Very high95.5Very high1 Ų114.1 Ų14.11%0.00510%0.095CC..Hα-helixtrans-49.8-58.1-178.6-66.9159.3000112.3V236 V252 M254 L262 W270 W273 A279 A281 V287 A289V236-I277 HydrophobicContact CG1-CG2 4.43Å; V252-I277 HydrophobicContact CG2-CD1 3.87Å; M254-I277 HydrophobicContact CB-CG2 3.69Å; M254-I277 HydrophobicContact CG-CG2 4.44Å; M254-I277 HydrophobicContact SD-CG2 3.99Å; L262-I277 HydrophobicContact CD1-CG1 4.17Å; W270-I277 HydrophobicContact CE3-CD1 3.69Å; W270-I277 HydrophobicContact CZ3-CD1 3.82Å; W273-I277 HydrophobicContact CB-CD1 4.08Å; W273-I277 HydrophobicContact CB-CG1 4.08Å; W273-I277 WeakPolarHBondContact O-CG1 3.38Å; W273-I277 PolarHBondContact O-N 2.92Å; I277-A279 PolarHBondContact O-N 2.91Å; I277-A281 VanDerWaalsContact O-CB 3.27Å; I277-A281 WeakPolarHBondContact O-CB 3.48Å; I277-A281 PolarHBondContact O-N 3.37Å; I277-V287 HydrophobicContact CG1-CG1 4.15Å; I277-A289 HydrophobicContact CD1-CB 3.74Å; I277-A289 HydrophobicContact CG1-CB 3.99Å
278P93.1Very high95.6Very high16 Ų1614.1 Ų14.110%0.10410%0.095CC..Hα-helixtrans-67.2-36179.925.9-34.4000112.9I229 M254 R274 A281 A282I229-P278 HydrophobicContact CG2-CG 4.47Å; I229-P278 WeakPolarHBondContact O-CG 3.24Å; M254-P278 HydrophobicContact SD-CB 4.08Å; R274-P278 WeakPolarHBondContact O-CD 3.35Å; P278-A281 PolarHBondContact O-N 3.28Å; P278-A282 VanDerWaalsContact O-CB 3.25Å; P278-A282 WeakPolarHBondContact O-CB 3.36Å; P278-A282 PolarHBondContact O-N 3.2Å
279A91.9Very high95.6Very high23 Ų2314.1 Ų14.119%0.1910%0.095CC..Hα-helixtrans-68.1-43.3-178.400000112.4Q276 I277 A283 N538 I542Q276-A279 PolarHBondContact O-N 3.12Å; I277-A279 PolarHBondContact O-N 2.91Å; A279-A283 WeakPolarHBondContact O-CB 3.25Å; A279-A283 PolarHBondContact O-N 3.23Å; A279-N538 HydrophobicContact CB-CB 4.19Å; A279-N538 WeakPolarHBondContact CB-ND2 3.45Å; A279-I542 HydrophobicContact CB-CD1 4.16Å
280L95.8Very high95.6Very high0 Ų014.3 Ų14.30%010%0.096CC..Hα-helixtrans-69.4-39.9176.1-65.1-176.3000111.4V260 L262 Q276 A283 G284 F285 V287 L541 I542 L545V260-L280 HydrophobicContact CG1-CD1 4.37Å; L262-L280 HydrophobicContact CD1-CD1 4.42Å; L262-L280 HydrophobicContact CD2-CD1 4.12Å; Q276-L280 HydrophobicContact CB-CD1 4.29Å; Q276-L280 HydrophobicContact CB-CG 4.47Å; Q276-L280 VanDerWaalsContact O-CB 3.32Å; Q276-L280 WeakPolarHBondContact O-CB 3.25Å; Q276-L280 VanDerWaalsContact O-CG 3.24Å; Q276-L280 WeakPolarHBondContact O-CG 3.42Å; Q276-L280 PolarHBondContact O-N 3.22Å; L280-A283 WeakPolarHBondContact O-CB 3.41Å; L280-A283 PolarHBondContact O-N 3.29Å; L280-A283 VanDerWaalsContact O-N 3.14Å; L280-G284 PolarHBondContact O-N 2.89Å; L280-F285 WeakPolarHBondContact O-CD2 3.27Å; L280-F285 PolarHBondContact O-N 3.35Å; L280-V287 HydrophobicContact CB-CG2 3.5Å; L280-V287 VanDerWaalsContact CB-CG2 3.5Å; L280-L541 HydrophobicContact CD2-CB 4.14Å; L280-I542 HydrophobicContact CD2-CG1 3.69Å; L280-L545 HydrophobicContact CD2-CD1 3.6Å
281A92.5Very high95.6Very high15 Ų1514.3 Ų14.312%0.12410%0.096CC..Hα-helixtrans-60.7-46.817400000111.9M254 I277 P278 A283 G284 F285 V287M254-A281 HydrophobicContact CB-CB 4.13Å; M254-A281 HydrophobicContact CG-CB 3.61Å; M254-A281 HydrophobicContact SD-CB 4.05Å; I277-A281 VanDerWaalsContact O-CB 3.27Å; I277-A281 WeakPolarHBondContact O-CB 3.48Å; I277-A281 PolarHBondContact O-N 3.37Å; P278-A281 PolarHBondContact O-N 3.28Å; A281-A283 PolarHBondContact O-N 3.19Å; A281-G284 PolarHBondContact O-N 3.04Å; A281-F285 WeakPolarHBondContact CA-O 3.45Å; A281-V287 HydrophobicContact CB-CG2 4.31Å
282A84.9Confident95.6Very high78 Ų7814.1 Ų14.165%0.64510%0.096SC*.Hα-helixtrans-62.9-26.9175.100000112.8P278 G284P278-A282 VanDerWaalsContact O-CB 3.25Å; P278-A282 WeakPolarHBondContact O-CB 3.36Å; P278-A282 PolarHBondContact O-N 3.2Å; A282-G284 PolarHBondContact O-N 3.41Å
283A87.1Confident95.6Very high19 Ų1914.8 Ų14.816%0.15710%0.099CC..THydrogen-bonded Turntrans-780.7174.400000114.2A279 L280 A281 F285 I542A279-A283 WeakPolarHBondContact O-CB 3.25Å; A279-A283 PolarHBondContact O-N 3.23Å; L280-A283 WeakPolarHBondContact O-CB 3.41Å; L280-A283 PolarHBondContact O-N 3.29Å; L280-A283 VanDerWaalsContact O-N 3.14Å; A281-A283 PolarHBondContact O-N 3.19Å; A283-F285 HydrophobicContact CB-CD2 3.94Å; A283-F285 HydrophobicContact CB-CE2 3.99Å; A283-I542 HydrophobicContact CB-CD1 4.19Å; A283-I542 HydrophobicContact CB-CG1 3.97Å; A283-I542 HydrophobicContact CB-CG2 3.87Å
284G89.5Confident95.6Very high34 Ų3414.8 Ų14.835%0.35110%0.099SC..THydrogen-bonded Turntrans91.629.1175.600000114.4S256 L280 A281 A282S256-G284 CarbonylContact O-C 3.58Å; L280-G284 PolarHBondContact O-N 2.89Å; A281-G284 PolarHBondContact O-N 3.04Å; A282-G284 PolarHBondContact O-N 3.41Å
285F95.3Very high95.6Very high9 Ų914.9 Ų14.94%0.03910%0.099CC..  trans-112.6148175.8-60.8-78000111.8S256 P258 V260 L280 A281 A283 V287 L545 H549S256-F285 PolarHBondContact N-O 3.15Å; S256-F285 CarbonylContact O-C 3.59Å; S256-F285 WeakPolarHBondContact O-CA 3.47Å; S256-F285 PolarHBondContact O-N 3.02Å; P258-F285 HydrophobicContact CB-CD1 4.16Å; P258-F285 HydrophobicContact CB-CE1 4.45Å; P258-F285 HydrophobicContact CG-CD1 4.33Å; P258-F285 HydrophobicContact CG-CE1 4.36Å; V260-F285 HydrophobicContact CG2-CB 3.85Å; V260-F285 HydrophobicContact CG2-CD1 3.86Å; V260-F285 HydrophobicContact CG2-CG 3.99Å; L280-F285 WeakPolarHBondContact O-CD2 3.27Å; L280-F285 PolarHBondContact O-N 3.35Å; A281-F285 WeakPolarHBondContact CA-O 3.45Å; A283-F285 HydrophobicContact CB-CD2 3.94Å; A283-F285 HydrophobicContact CB-CE2 3.99Å; F285-V287 PolarHBondContact O-N 3.3Å; F285-L545 HydrophobicContact CD2-CB 4.45Å; F285-L545 HydrophobicContact CD2-CD1 4.17Å; F285-L545 HydrophobicContact CE1-CB 3.95Å; F285-L545 HydrophobicContact CE1-CD2 4.44Å; F285-L545 HydrophobicContact CE2-CB 3.69Å; F285-L545 HydrophobicContact CE2-CD1 4.19Å; F285-L545 HydrophobicContact CG-CD1 4.47Å; F285-L545 HydrophobicContact CZ-CB 3.43Å; F285-L545 VanDerWaalsContact CZ-CB 3.43Å; F285-L545 HydrophobicContact CZ-CG 4.43Å; F285-H549 HydrophobicContact CE1-CB 4.12Å; F285-H549 AromaticContact CE1-CD2 3.73Å
286R97.6Very high95.6Very high68 Ų6814.7 Ų14.726%0.25710%0.104SC..EExtended strand (participates in β ladder)trans-86.4103.4169.6178.3-171.9178.2-167.50.6108.2E253 S256 G257 P258 P259 V260E253-R286 IonicContact OE1-CZ 3.17Å; E253-R286 IonicContact OE1-NE 2.73Å; E253-R286 PolarHBondContact OE1-NE 3.47Å; E253-R286 IonicContact OE1-NH2 2.74Å; E253-R286 PolarHBondContact OE1-NH2 3.37Å; S256-R286 PolarHBondContact O-N 3.49Å; G257-R286 VanDerWaalsContact O-CB 3.32Å; G257-R286 WeakPolarHBondContact O-CB 3.46Å; P258-R286 PolarHBondContact O-N 2.92Å; P259-R286 CarbonylContact C-O 3.5Å; P259-R286 WeakPolarHBondContact CA-O 3.21Å; V260-R286 PolarHBondContact N-O 3.28Å
287V98.7Very high95.6Very high0 Ų017.6 Ų17.60%012%0.117CC..EExtended strand (participates in β ladder)trans-91.5129.8-175-171.40000110.4E253 M254 V260 L262 I277 L280 A281 F285E253-V287 VanDerWaalsContact CA-O 3.3Å; E253-V287 WeakPolarHBondContact CA-O 3.3Å; M254-V287 PolarHBondContact N-O 2.86Å; M254-V287 VanDerWaalsContact N-O 3.15Å; M254-V287 PolarHBondContact O-N 2.86Å; V260-V287 WeakPolarHBondContact O-CA 3.44Å; L262-V287 HydrophobicContact CD1-CG1 3.61Å; L262-V287 HydrophobicContact CG-CG1 3.96Å; I277-V287 HydrophobicContact CG1-CG1 4.15Å; L280-V287 HydrophobicContact CB-CG2 3.5Å; L280-V287 VanDerWaalsContact CB-CG2 3.5Å; A281-V287 HydrophobicContact CB-CG2 4.31Å; F285-V287 PolarHBondContact O-N 3.3Å
288L98.8Very high95.6Very high0 Ų017.9 Ų17.90%012%0.119CC..EExtended strand (participates in β ladder)trans-122.898.8175.2-65.7151.9000108.2Y251 V252 E253 P259 V260 L261 L262 M323 I325Y251-L288 HydrophobicContact CD2-CD2 3.45Å; Y251-L288 VanDerWaalsContact CD2-CD2 3.45Å; Y251-L288 HydrophobicContact CE2-CD2 3.43Å; Y251-L288 VanDerWaalsContact CE2-CD2 3.43Å; Y251-L288 HydrophobicContact CG-CD2 4.46Å; V252-L288 CarbonylContact O-C 3.5Å; V252-L288 WeakPolarHBondContact O-CA 3.43Å; E253-L288 HydrophobicContact CB-CD2 4.28Å; E253-L288 HydrophobicContact CG-CD2 4.07Å; P259-L288 HydrophobicContact CB-CD1 4.37Å; V260-L288 PolarHBondContact O-N 3.07Å; L261-L288 CarbonylContact C-O 3.49Å; L261-L288 VanDerWaalsContact CA-O 3.3Å; L261-L288 WeakPolarHBondContact CA-O 3.36Å; L261-L288 HydrophobicContact CB-CB 4.47Å; L261-L288 HydrophobicContact CD1-CB 4.46Å; L261-L288 HydrophobicContact CG-CB 4.43Å; L262-L288 PolarHBondContact N-O 3.07Å; L288-M323 HydrophobicContact CD2-CE 4.04Å; L288-I325 HydrophobicContact CD1-CD1 3.59Å
289A98.9Very high95.8Very high0 Ų018.8 Ų18.80%013%0.125CC..EExtended strand (participates in β ladder)trans-95.9116.8177.800000109.8Y251 V252 L262 W270 W273 I277Y251-A289 CarbonylContact C-O 3.6Å; Y251-A289 VanDerWaalsContact CA-O 3.25Å; Y251-A289 WeakPolarHBondContact CA-O 3.32Å; V252-A289 HydrophobicContact CG2-CB 3.79Å; V252-A289 PolarHBondContact N-O 2.86Å; V252-A289 PolarHBondContact O-N 3.16Å; L262-A289 HydrophobicContact CB-CB 4.14Å; L262-A289 HydrophobicContact CD1-CB 4.18Å; L262-A289 HydrophobicContact CG-CB 4.48Å; W270-A289 HydrophobicContact CB-CB 4.1Å; W273-A289 HydrophobicContact CB-CB 4.49Å; I277-A289 HydrophobicContact CD1-CB 3.74Å; I277-A289 HydrophobicContact CG1-CB 3.99Å
290L98.8Very high96.1Very high4 Ų419.6 Ų19.62%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-85.9143.4-174.5-55.4-170000111T249 Y251 L261 L262 H264 W270 M292 L316 F319T249-L290 HydrophobicContact CG2-CD1 4.41Å; T249-L290 HydrophobicContact CG2-CD2 4.25Å; Y251-L290 HydrophobicContact CG-CD2 4.47Å; L261-L290 HydrophobicContact CD1-CD1 4.14Å; L261-L290 HydrophobicContact CD1-CD2 4.11Å; L261-L290 HydrophobicContact CD1-CG 4.27Å; L261-L290 HydrophobicContact CD2-CD1 3.71Å; L261-L290 HydrophobicContact CD2-CG 4.02Å; L261-L290 HydrophobicContact CG-CD1 4.14Å; L261-L290 HydrophobicContact CG-CD2 4.3Å; L261-L290 HydrophobicContact CG-CG 4.05Å; L262-L290 PolarHBondContact O-N 3.02Å; L262-L290 VanDerWaalsContact O-N 3.11Å; H264-L290 PolarHBondContact CD2-O 3.47Å; W270-L290 WeakPolarHBondContact CB-O 3.34Å; L290-M292 HydrophobicContact CB-SD 3.83Å; L290-M292 HydrophobicContact CD1-SD 4.03Å; L290-M292 HydrophobicContact CG-SD 4.48Å; L290-M292 PolarHBondContact O-N 2.88Å; L290-L316 HydrophobicContact CD1-CD1 3.61Å; L290-F319 HydrophobicContact CD2-CE1 4.02Å; L290-F319 HydrophobicContact CD2-CE2 4.2Å; L290-F319 HydrophobicContact CD2-CZ 3.77Å
291D98.8Very high96.1Very high0 Ų020.5 Ų20.50%014%0.137CC..  trans-77.5113.5145.9-89.9-22.1000106.8H250 S269 W270 G296 E297 S298H250-D291 HydrophobicContact CB-CB 4.35Å; H250-D291 IonicContact CE1-OD2 2.96Å; H250-D291 IonicContact ND1-OD2 3.28Å; H250-D291 PolarHBondContact ND1-OD2 3.4Å; H250-D291 VanDerWaalsContact ND1-OD2 3.16Å; H250-D291 PolarHBondContact O-N 3.36Å; H250-D291 VanDerWaalsContact O-N 3.08Å; S269-D291 PolarHBondContact OG-OD1 3Å; W270-D291 VanDerWaalsContact CD1-OD1 3.27Å; W270-D291 PolarHBondContact N-OD1 2.99Å; D291-G296 WeakPolarHBondContact OD2-CA 3.47Å; D291-E297 PolarHBondContact OD2-N 3.44Å; D291-S298 WeakPolarHBondContact O-CB 3.49Å; D291-S298 PolarHBondContact O-OG 3.02Å
292M98.7Very high96.3Very high10 Ų1023.2 Ų23.25%0.04915%0.154CC..  trans-62.7158.1179.9-60.5-53.4-66.900110.2C263 H264 L290 G294 Y295 L339 W468C263-M292 HydrophobicContact CB-CE 4.14Å; C263-M292 HydrophobicContact CB-SD 3.82Å; H264-M292 PolarHBondContact NE2-N 3.26Å; L290-M292 HydrophobicContact CB-SD 3.83Å; L290-M292 HydrophobicContact CD1-SD 4.03Å; L290-M292 HydrophobicContact CG-SD 4.48Å; L290-M292 PolarHBondContact O-N 2.88Å; M292-G294 PolarHBondContact O-N 3.04Å; M292-Y295 HydrophobicContact CB-CD2 3.9Å; M292-Y295 HydrophobicContact CB-CE2 4.28Å; M292-Y295 WeakPolarHBondContact O-CB 3.33Å; M292-Y295 WeakPolarHBondContact O-CD2 3.42Å; M292-Y295 PolarHBondContact O-N 2.9Å; M292-L339 HydrophobicContact CE-CD2 3.3Å; M292-W468 HydrophobicContact CB-CH2 4.25Å; M292-W468 HydrophobicContact CB-CZ2 3.87Å; M292-W468 HydrophobicContact CE-CH2 3.74Å; M292-W468 HydrophobicContact CE-CZ2 4.37Å
293K98.3Very high96.9Very high14 Ų1424 Ų246%0.06115%0.146CC..THydrogen-bonded Turntrans-54131.3179-171.6-178.8-174.3175.10110.7Y295 E306 Y307 L312 D315 W468K293-Y295 WeakPolarHBondContact O-CD2 3.21Å; K293-E306 PolarHBondContact NZ-O 3.18Å; K293-E306 IonicContact NZ-OE2 3.92Å; K293-E306 PolarHBondContact NZ-OE2 3.44Å; K293-Y307 HydrophobicContact CB-CE1 4.4Å; K293-Y307 HydrophobicContact CD-CE1 4.36Å; K293-Y307 HydrophobicContact CG-CD1 4.49Å; K293-Y307 HydrophobicContact CG-CE1 3.96Å; K293-Y307 WeakPolarHBondContact O-CE1 3.42Å; K293-L312 HydrophobicContact CB-CD2 3.93Å; K293-L312 HydrophobicContact CD-CD2 3.99Å; K293-D315 IonicContact NZ-OD2 2.72Å; K293-D315 PolarHBondContact NZ-OD2 3.47Å; K293-W468 PolarHBondContact O-NE1 2.94Å
294G98.1Very high97.5Very high0 Ų025 Ų250%015%0.149CC..THydrogen-bonded Turntrans93.8-7.2-173.700000115.5M292 T299 P465M292-G294 PolarHBondContact O-N 3.04Å; G294-T299 PolarHBondContact N-O 3.28Å; G294-T299 VanDerWaalsContact N-O 3.11Å; G294-P465 VanDerWaalsContact O-CD 3.29Å; G294-P465 WeakPolarHBondContact O-CD 3.27Å
295Y98.6Very high97.9Very high2 Ų228.8 Ų28.81%0.00816%0.158CC..SBendtrans-119151.9-174.1-60.7-96.4000112.2H264 F266 E268 M292 K293 E297 S298 F457 P465 W468H264-Y295 AromaticContact CE1-CD1 3.69Å; H264-Y295 AromaticContact CE1-CD2 3.62Å; H264-Y295 AromaticContact CE1-CE2 3.96Å; H264-Y295 AromaticContact CE1-CG 3.46Å; H264-Y295 VanDerWaalsContact CE1-CG 3.46Å; H264-Y295 AromaticContact NE2-CG 4Å; F266-Y295 WeakPolarHBondContact CD2-OH 3.44Å; E268-Y295 VanDerWaalsContact O-CD1 3.3Å; E268-Y295 WeakPolarHBondContact O-CD1 3.29Å; M292-Y295 HydrophobicContact CB-CD2 3.9Å; M292-Y295 HydrophobicContact CB-CE2 4.28Å; M292-Y295 WeakPolarHBondContact O-CB 3.33Å; M292-Y295 WeakPolarHBondContact O-CD2 3.42Å; M292-Y295 PolarHBondContact O-N 2.9Å; K293-Y295 WeakPolarHBondContact O-CD2 3.21Å; Y295-E297 PolarHBondContact O-N 2.95Å; Y295-S298 WeakPolarHBondContact O-CB 3.29Å; Y295-S298 PolarHBondContact O-N 3.5Å; Y295-S298 VanDerWaalsContact O-N 3.07Å; Y295-F457 HydrophobicContact CD1-CE1 4.21Å; Y295-F457 HydrophobicContact CD1-CE2 4.4Å; Y295-F457 AromaticContact CD1-CZ 3.63Å; Y295-F457 HydrophobicContact CD1-CZ 3.63Å; Y295-F457 HydrophobicContact CE1-CE1 4.26Å; Y295-F457 AromaticContact CE1-CZ 3.86Å; Y295-F457 HydrophobicContact CE1-CZ 3.86Å; Y295-P465 HydrophobicContact CD1-CB 4.33Å; Y295-P465 HydrophobicContact CD1-CG 3.74Å; Y295-P465 HydrophobicContact CD2-CG 4.47Å; Y295-P465 HydrophobicContact CE1-CB 3.5Å; Y295-P465 VanDerWaalsContact CE1-CB 3.5Å; Y295-P465 HydrophobicContact CE1-CG 3.42Å; Y295-P465 VanDerWaalsContact CE1-CG 3.42Å; Y295-P465 HydrophobicContact CE2-CB 4.26Å; Y295-P465 HydrophobicContact CE2-CG 4.23Å; Y295-P465 HydrophobicContact CG-CG 4.26Å; Y295-P465 VanDerWaalsContact CZ-CB 3.47Å; Y295-P465 WeakPolarHBondContact OH-CA 3.25Å; Y295-P465 WeakPolarHBondContact OH-CB 3.49Å; Y295-W468 AromaticContact CE2-NE1 3.58Å
296G96.8Very high98Very high16 Ų1629.8 Ų29.817%0.16516%0.163CC..THydrogen-bonded Turntrans45.7-121.3171.200000114.3D291D291-G296 WeakPolarHBondContact OD2-CA 3.47Å
297E97.4Very high98Very high60 Ų6026.6 Ų26.628%0.2815%0.15SC..THydrogen-bonded Turntrans-88.3-7.3-176.5-64.1-175.1-130.200114.4H238 H240 R248 H250 D291 Y295H238-E297 IonicContact CE1-OE1 3.1Å; H238-E297 IonicContact ND1-OE1 3.48Å; H238-E297 PolarHBondContact ND1-OE1 3.08Å; H240-E297 IonicContact CE1-OE2 3.89Å; H240-E297 PolarHBondContact CE1-OE2 2.95Å; H240-E297 IonicContact NE2-OE2 2.6Å; H240-E297 PolarHBondContact NE2-OE2 2.85Å; R248-E297 PolarHBondContact NE-O 2.61Å; R248-E297 PolarHBondContact NH2-O 2.83Å; H250-E297 HydrophobicContact CB-CB 3.57Å; H250-E297 IonicContact CD2-OE1 2.91Å; H250-E297 IonicContact CD2-OE2 3.36Å; H250-E297 IonicContact NE2-OE1 3.35Å; D291-E297 PolarHBondContact OD2-N 3.44Å; Y295-E297 PolarHBondContact O-N 2.95Å
298S98.4Very high98Very high7 Ų727 Ų275%0.04915%0.153CC..SBendtrans-71.7151.1172.9-79.10000111.4T249 H250 D291 Y295 A300T249-S298 WeakPolarHBondContact CA-OG 3.4Å; H250-S298 PolarHBondContact N-OG 2.93Å; D291-S298 WeakPolarHBondContact O-CB 3.49Å; D291-S298 PolarHBondContact O-OG 3.02Å; Y295-S298 WeakPolarHBondContact O-CB 3.29Å; Y295-S298 PolarHBondContact O-N 3.5Å; Y295-S298 VanDerWaalsContact O-N 3.07Å; S298-A300 PolarHBondContact O-N 3.23Å
299T97.8Very high97.9Very high36 Ų3627.3 Ų27.322%0.22116%0.155CC..  trans-62138.7177.9-570000110.8G246 R248 G294 P301G246-T299 WeakPolarHBondContact O-CG2 3.29Å; R248-T299 PolarHBondContact N-OG1 3.14Å; R248-T299 PolarHBondContact O-N 2.86Å; R248-T299 PolarHBondContact O-OG1 3.01Å; G294-T299 PolarHBondContact N-O 3.28Å; G294-T299 VanDerWaalsContact N-O 3.11Å; T299-P301 HydrophobicContact CG2-CG 4.03Å; T299-P301 WeakPolarHBondContact O-CD 3.35Å
300A97.5Very high97.8Very high40 Ų4030.2 Ų30.233%0.33117%0.168SC..  trans-117.777.4175.600000111.7S298 Y307S298-A300 PolarHBondContact O-N 3.23Å; A300-Y307 WeakPolarHBondContact CA-OH 3.45Å
301P96.8Very high97.8Very high19 Ų1933.2 Ų33.212%0.12318%0.181CC..  trans-59.2144.3175.4-21.935.2000111.4V247 T299 D303 E306 Y307V247-P301 HydrophobicContact CG2-CG 4.42Å; T299-P301 HydrophobicContact CG2-CG 4.03Å; T299-P301 WeakPolarHBondContact O-CD 3.35Å; P301-D303 VanDerWaalsContact C-N 3.34Å; P301-D303 PolarHBondContact O-N 3.43Å; P301-E306 HydrophobicContact CB-CB 4.11Å; P301-E306 HydrophobicContact CB-CG 3.84Å; P301-E306 HydrophobicContact CG-CB 4.44Å; P301-E306 HydrophobicContact CG-CG 4.32Å; P301-Y307 WeakPolarHBondContact CD-OH 3.44Å; P301-Y307 WeakPolarHBondContact O-CE2 3.3Å; P301-Y307 PolarHBondContact O-OH 3.37Å
302P96.6Very high97.8Very high72 Ų7233.5 Ų33.547%0.46818%0.183SC..SBendtrans-77.2-19.8-176.230.5-35.6000113.7R463 N467P302-R463 VanDerWaalsContact O-CZ 3.25Å; P302-R463 PolarHBondContact O-NE 3.25Å; P302-R463 PolarHBondContact O-NH2 3.26Å; P302-N467 PolarHBondContact O-ND2 3.38Å
303D97.8Very high97.7Very high93 Ų9333 Ų3350%0.49718%0.18SC..  trans-72.3136.8-172.7-58.6-37.9000111.3P301 E305 E306 Y307 N467P301-D303 VanDerWaalsContact C-N 3.34Å; P301-D303 PolarHBondContact O-N 3.43Å; D303-E305 VanDerWaalsContact C-N 3.32Å; D303-E305 PolarHBondContact O-N 3.45Å; D303-E306 HydrophobicContact CB-CG 4.09Å; D303-E306 WeakPolarHBondContact O-CB 3.07Å; D303-E306 PolarHBondContact O-N 2.91Å; D303-Y307 VanDerWaalsContact O-CD2 3.29Å; D303-Y307 WeakPolarHBondContact O-CD2 3.4Å; D303-Y307 WeakPolarHBondContact O-CE2 3.28Å; D303-N467 PolarHBondContact O-ND2 3.46Å
304I98.4Very high97.7Very high41 Ų4137.1 Ų37.121%0.2120%0.198CC..G310 helixtrans-64.7-43.2-175.8-71.1169.3000110E306 Y307 P389 R470 N471I304-E306 PolarHBondContact O-N 3.02Å; I304-E306 VanDerWaalsContact O-N 3.08Å; I304-Y307 PolarHBondContact O-N 2.85Å; I304-P389 HydrophobicContact CD1-CG 4.14Å; I304-R470 HydrophobicContact CD1-CB 4.49Å; I304-R470 HydrophobicContact CG1-CB 4.46Å; I304-R470 HydrophobicContact CG2-CB 3.55Å; I304-R470 WeakPolarHBondContact CG2-O 3.48Å; I304-N471 PolarHBondContact O-ND2 3.33Å; I304-N471 PolarHBondContact O-OD1 2.84Å
305E97.7Very high97.7Very high114 Ų11437.8 Ų37.853%0.53320%0.202SC..G310 helixtrans-64.8-16.6-174.9-59.474.5-167.100112.2D303 Y307 K311D303-E305 VanDerWaalsContact C-N 3.32Å; D303-E305 PolarHBondContact O-N 3.45Å; E305-Y307 PolarHBondContact O-N 3.03Å; E305-K311 WeakPolarHBondContact O-CD 3.19Å; E305-K311 WeakPolarHBondContact O-CE 3.27Å; E305-K311 PolarHBondContact O-NZ 2.95Å; E305-K311 VanDerWaalsContact O-NZ 3.08Å
306E97.8Very high97.7Very high30 Ų3038.1 Ų38.114%0.1420%0.204CC..G310 helixtrans-66.5-14.7173.6-76.9-62.7110.900113.2R244 K293 P301 D303 I304 K311R244-E306 IonicContact CZ-OE2 2.69Å; R244-E306 IonicContact NH2-OE2 2.96Å; R244-E306 PolarHBondContact NH2-OE2 2.86Å; K293-E306 PolarHBondContact NZ-O 3.18Å; K293-E306 IonicContact NZ-OE2 3.92Å; K293-E306 PolarHBondContact NZ-OE2 3.44Å; P301-E306 HydrophobicContact CB-CB 4.11Å; P301-E306 HydrophobicContact CB-CG 3.84Å; P301-E306 HydrophobicContact CG-CB 4.44Å; P301-E306 HydrophobicContact CG-CG 4.32Å; D303-E306 HydrophobicContact CB-CG 4.09Å; D303-E306 WeakPolarHBondContact O-CB 3.07Å; D303-E306 PolarHBondContact O-N 2.91Å; I304-E306 PolarHBondContact O-N 3.02Å; I304-E306 VanDerWaalsContact O-N 3.08Å; E306-K311 WeakPolarHBondContact OE1-CD 3.4Å; E306-K311 IonicContact OE1-NZ 2.64Å; E306-K311 PolarHBondContact OE1-NZ 3.45Å
307Y98.4Very high97.8Very high1 Ų138.6 Ų38.60%0.00420%0.202CC..G310 helixtrans-113.417.6-175.2-58.7-92.6000112.8K293 A300 P301 D303 I304 E305 L312 G464 N467 W468 N471K293-Y307 HydrophobicContact CB-CE1 4.4Å; K293-Y307 HydrophobicContact CD-CE1 4.36Å; K293-Y307 HydrophobicContact CG-CD1 4.49Å; K293-Y307 HydrophobicContact CG-CE1 3.96Å; K293-Y307 WeakPolarHBondContact O-CE1 3.42Å; A300-Y307 WeakPolarHBondContact CA-OH 3.45Å; P301-Y307 WeakPolarHBondContact CD-OH 3.44Å; P301-Y307 WeakPolarHBondContact O-CE2 3.3Å; P301-Y307 PolarHBondContact O-OH 3.37Å; D303-Y307 VanDerWaalsContact O-CD2 3.29Å; D303-Y307 WeakPolarHBondContact O-CD2 3.4Å; D303-Y307 WeakPolarHBondContact O-CE2 3.28Å; I304-Y307 PolarHBondContact O-N 2.85Å; E305-Y307 PolarHBondContact O-N 3.03Å; Y307-L312 WeakPolarHBondContact O-CD1 3.47Å; Y307-G464 WeakPolarHBondContact CE1-O 3.5Å; Y307-G464 VanDerWaalsContact CZ-CA 3.49Å; Y307-G464 VanDerWaalsContact OH-CA 3.25Å; Y307-G464 WeakPolarHBondContact OH-CA 3.47Å; Y307-N467 HydrophobicContact CD1-CB 4.37Å; Y307-N467 HydrophobicContact CD2-CB 3.29Å; Y307-N467 HydrophobicContact CE2-CB 3.83Å; Y307-N467 HydrophobicContact CG-CB 3.6Å; Y307-W468 AromaticContact CD1-CD1 3.54Å; Y307-W468 HydrophobicContact CD1-CG 4.4Å; Y307-W468 AromaticContact CD1-NE1 3.38Å; Y307-W468 AromaticContact CE1-NE1 3.85Å; Y307-N471 PolarHBondContact O-ND2 2.84Å
308S98.1Very high97.8Very high9 Ų937.6 Ų37.66%0.06320%0.202CC..SBendtrans-67.9148.8169.273.70000110.5E310 K311 L312 N475S308-E310 PolarHBondContact O-N 3.16Å; S308-K311 PolarHBondContact O-N 3.42Å; S308-K311 VanDerWaalsContact O-N 3.08Å; S308-K311 PolarHBondContact OG-N 3.45Å; S308-L312 VanDerWaalsContact O-CG 3.31Å; S308-L312 WeakPolarHBondContact O-CG 2.99Å; S308-L312 PolarHBondContact O-N 3.05Å; S308-N475 WeakPolarHBondContact CA-OD1 3.24Å
309Q96.4Very high97.8Very high6 Ų637.2 Ų37.23%0.02820%0.199CC..Hα-helixtrans-55.2-40.3178.7-75.7-69.1-25.800111.5K311 L312 C313 T342 N475 W478Q309-K311 PolarHBondContact O-N 3.3Å; Q309-L312 PolarHBondContact O-N 3Å; Q309-C313 WeakPolarHBondContact O-CB 3.03Å; Q309-C313 PolarHBondContact O-N 3.42Å; Q309-C313 PolarHBondContact O-SG 3.41Å; Q309-T342 HydrophobicContact CB-CG2 4.34Å; Q309-T342 PolarHBondContact OE1-OG1 3.03Å; Q309-N475 HydrophobicContact CG-CB 4.37Å; Q309-N475 PolarHBondContact N-OD1 3.26Å; Q309-W478 HydrophobicContact CB-CE3 4.42Å; Q309-W478 HydrophobicContact CB-CZ3 4.16Å
310E97Very high97.9Very high61 Ų6135.5 Ų35.529%0.28519%0.189SC..Hα-helixtrans-56.5-50.4175.3-179.3178.1-173.300112.4S308 K314 W478S308-E310 PolarHBondContact O-N 3.16Å; E310-K314 HydrophobicContact CG-CD 4.16Å; E310-K314 WeakPolarHBondContact O-CG 3.41Å; E310-K314 PolarHBondContact O-N 3.27Å; E310-K314 IonicContact OE1-NZ 2.7Å; E310-K314 PolarHBondContact OE1-NZ 3.2Å; E310-W478 HydrophobicContact CB-CD2 3.68Å; E310-W478 HydrophobicContact CB-CE3 4.25Å; E310-W478 HydrophobicContact CB-CG 3.79Å; E310-W478 HydrophobicContact CB-CZ2 4.21Å; E310-W478 HydrophobicContact CG-CD2 4.22Å; E310-W478 HydrophobicContact CG-CG 4.19Å; E310-W478 HydrophobicContact CG-CZ2 4.29Å; E310-W478 VanDerWaalsContact OE2-CD1 3.28Å
311K97.9Very high97.9Very high66 Ų6637.7 Ų37.729%0.28720%0.195SC..Hα-helixtrans-68.7-42.1-178.8-72.1-165-1661680110.9E305 E306 S308 Q309 C313 K314 D315E305-K311 WeakPolarHBondContact O-CD 3.19Å; E305-K311 WeakPolarHBondContact O-CE 3.27Å; E305-K311 PolarHBondContact O-NZ 2.95Å; E305-K311 VanDerWaalsContact O-NZ 3.08Å; E306-K311 WeakPolarHBondContact OE1-CD 3.4Å; E306-K311 IonicContact OE1-NZ 2.64Å; E306-K311 PolarHBondContact OE1-NZ 3.45Å; S308-K311 PolarHBondContact O-N 3.42Å; S308-K311 VanDerWaalsContact O-N 3.08Å; S308-K311 PolarHBondContact OG-N 3.45Å; Q309-K311 PolarHBondContact O-N 3.3Å; K311-C313 VanDerWaalsContact C-N 3.32Å; K311-C313 PolarHBondContact O-N 3.3Å; K311-K314 PolarHBondContact O-N 2.68Å; K311-D315 VanDerWaalsContact O-CB 3.27Å; K311-D315 WeakPolarHBondContact O-CB 3.29Å; K311-D315 PolarHBondContact O-N 3.12Å
312L98.4Very high98Very high7 Ų743.6 Ų43.64%0.03722%0.218CC..Hα-helixtrans-60.4-41.4177.6-67.8167.4000112K293 Y307 S308 Q309 D315 L316 L339 W468K293-L312 HydrophobicContact CB-CD2 3.93Å; K293-L312 HydrophobicContact CD-CD2 3.99Å; Y307-L312 WeakPolarHBondContact O-CD1 3.47Å; S308-L312 VanDerWaalsContact O-CG 3.31Å; S308-L312 WeakPolarHBondContact O-CG 2.99Å; S308-L312 PolarHBondContact O-N 3.05Å; Q309-L312 PolarHBondContact O-N 3Å; L312-D315 PolarHBondContact O-N 3.05Å; L312-L316 PolarHBondContact O-N 3.35Å; L312-L339 HydrophobicContact CB-CD1 3.87Å; L312-W468 HydrophobicContact CD1-CD2 3.94Å; L312-W468 HydrophobicContact CD1-CE3 3.61Å; L312-W468 HydrophobicContact CD1-CH2 3.57Å; L312-W468 HydrophobicContact CD1-CZ2 3.88Å; L312-W468 HydrophobicContact CD1-CZ3 3.45Å; L312-W468 VanDerWaalsContact CD1-CZ3 3.45Å; L312-W468 HydrophobicContact CD2-CH2 3.79Å; L312-W468 HydrophobicContact CD2-CZ2 3.57Å; L312-W468 HydrophobicContact CG-CH2 4.2Å; L312-W468 HydrophobicContact CG-CZ2 4.35Å
313C98.3Very high98.1Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-63-47.4173.5-71.50000112.2Q309 K311 D315 L316 I317 M343 F347Q309-C313 WeakPolarHBondContact O-CB 3.03Å; Q309-C313 PolarHBondContact O-N 3.42Å; Q309-C313 PolarHBondContact O-SG 3.41Å; K311-C313 VanDerWaalsContact C-N 3.32Å; K311-C313 PolarHBondContact O-N 3.3Å; C313-D315 VanDerWaalsContact C-N 3.27Å; C313-D315 PolarHBondContact O-N 3.33Å; C313-L316 PolarHBondContact O-N 2.9Å; C313-I317 WeakPolarHBondContact O-CG1 3.45Å; C313-I317 PolarHBondContact O-N 3.38Å; C313-M343 VanDerWaalsContact CA-SD 3.58Å; C313-M343 HydrophobicContact CB-SD 3.53Å; C313-M343 VanDerWaalsContact CB-SD 3.53Å; C313-F347 HydrophobicContact CB-CD2 4.04Å; C313-F347 HydrophobicContact CB-CE2 3.49Å; C313-F347 VanDerWaalsContact CB-CE2 3.49Å; C313-F347 HydrophobicContact CB-CZ 4.35Å
314K97.9Very high98.1Very high99 Ų9942.3 Ų42.343%0.4322%0.215SC..Hα-helixtrans-61.9-35.7177.2-74.2173.1173.5174.20112.5E310 K311 I317 S318E310-K314 HydrophobicContact CG-CD 4.16Å; E310-K314 WeakPolarHBondContact O-CG 3.41Å; E310-K314 PolarHBondContact O-N 3.27Å; E310-K314 IonicContact OE1-NZ 2.7Å; E310-K314 PolarHBondContact OE1-NZ 3.2Å; K311-K314 PolarHBondContact O-N 2.68Å; K314-I317 PolarHBondContact O-N 3.2Å; K314-S318 WeakPolarHBondContact O-CB 3.43Å; K314-S318 PolarHBondContact O-N 3.34Å; K314-S318 PolarHBondContact O-OG 3.21Å
315D98.1Very high98Very high15 Ų1540.6 Ų40.68%0.0821%0.207CC..Hα-helixtrans-65.4-43.7176.4-71.66000110.2I243 R244 K293 K311 L312 C313 S318 F319I243-D315 HydrophobicContact CD1-CB 3.5Å; R244-D315 IonicContact CZ-OD1 3.98Å; R244-D315 IonicContact CZ-OD2 3.88Å; R244-D315 IonicContact NH1-OD1 3.21Å; R244-D315 PolarHBondContact NH1-OD1 2.8Å; R244-D315 IonicContact NH1-OD2 3.63Å; R244-D315 PolarHBondContact NH1-OD2 2.53Å; R244-D315 VanDerWaalsContact NH1-OD2 3.1Å; R244-D315 IonicContact NH2-OD1 3.91Å; R244-D315 PolarHBondContact NH2-OD1 3.32Å; R244-D315 IonicContact NH2-OD2 3.64Å; R244-D315 PolarHBondContact NH2-OD2 2.88Å; K293-D315 IonicContact NZ-OD2 2.72Å; K293-D315 PolarHBondContact NZ-OD2 3.47Å; K311-D315 VanDerWaalsContact O-CB 3.27Å; K311-D315 WeakPolarHBondContact O-CB 3.29Å; K311-D315 PolarHBondContact O-N 3.12Å; L312-D315 PolarHBondContact O-N 3.05Å; C313-D315 VanDerWaalsContact C-N 3.27Å; C313-D315 PolarHBondContact O-N 3.33Å; D315-S318 PolarHBondContact O-N 3.07Å; D315-F319 PolarHBondContact O-N 3.24Å
316L98.4Very high98Very high9 Ų939.9 Ų39.95%0.04721%0.212CC..Hα-helixtrans-68.4-38.9176.6-169.963.5000112.6L261 L290 L312 C313 S318 F319 M320 L330 M343L261-L316 HydrophobicContact CD1-CD1 4.06Å; L261-L316 HydrophobicContact CD2-CD1 3.85Å; L261-L316 HydrophobicContact CD2-CD2 4.4Å; L290-L316 HydrophobicContact CD1-CD1 3.61Å; L312-L316 PolarHBondContact O-N 3.35Å; C313-L316 PolarHBondContact O-N 2.9Å; L316-S318 VanDerWaalsContact C-N 3.33Å; L316-S318 PolarHBondContact O-N 2.87Å; L316-F319 HydrophobicContact CD1-CD1 4.42Å; L316-F319 WeakPolarHBondContact O-CB 3.26Å; L316-F319 PolarHBondContact O-N 3.45Å; L316-M320 VanDerWaalsContact O-CG 3.27Å; L316-M320 WeakPolarHBondContact O-CG 3.3Å; L316-M320 PolarHBondContact O-N 2.93Å; L316-L330 HydrophobicContact CD2-CD1 4.23Å; L316-L330 HydrophobicContact CD2-CD2 4.17Å; L316-M343 HydrophobicContact CB-SD 4.46Å; L316-M343 HydrophobicContact CD2-CE 4.04Å; L316-M343 HydrophobicContact CD2-CG 4.03Å; L316-M343 HydrophobicContact CD2-SD 4.15Å; L316-M343 HydrophobicContact CG-CE 4.42Å
317I98.5Very high98Very high26 Ų2642.2 Ų42.213%0.13322%0.223CC..Hα-helixtrans-58.5-46.9171.6-73.2166.3000110.7C313 K314 F319 M320 D321 M343 F347C313-I317 WeakPolarHBondContact O-CG1 3.45Å; C313-I317 PolarHBondContact O-N 3.38Å; K314-I317 PolarHBondContact O-N 3.2Å; I317-F319 VanDerWaalsContact C-N 3.3Å; I317-F319 PolarHBondContact O-N 3.48Å; I317-M320 WeakPolarHBondContact O-CB 3.34Å; I317-M320 PolarHBondContact O-N 3.28Å; I317-M320 VanDerWaalsContact O-N 3.16Å; I317-D321 VanDerWaalsContact O-CG 3.23Å; I317-D321 PolarHBondContact O-N 3.05Å; I317-M343 HydrophobicContact CG1-CE 4.02Å; I317-F347 HydrophobicContact CD1-CB 4.26Å; I317-F347 HydrophobicContact CD1-CD1 3.26Å; I317-F347 HydrophobicContact CD1-CD2 3.92Å; I317-F347 HydrophobicContact CD1-CE1 3.38Å; I317-F347 HydrophobicContact CD1-CE2 4.05Å; I317-F347 HydrophobicContact CD1-CG 3.53Å; I317-F347 HydrophobicContact CD1-CZ 3.78Å
318S98.5Very high98Very high38 Ų3842.2 Ų42.227%0.26622%0.223SC..Hα-helixtrans-62.9-39.1178.4-580000111.4K314 D315 L316 D321 K322K314-S318 WeakPolarHBondContact O-CB 3.43Å; K314-S318 PolarHBondContact O-N 3.34Å; K314-S318 PolarHBondContact O-OG 3.21Å; D315-S318 PolarHBondContact O-N 3.07Å; L316-S318 VanDerWaalsContact C-N 3.33Å; L316-S318 PolarHBondContact O-N 2.87Å; S318-D321 PolarHBondContact O-N 2.91Å; S318-K322 WeakPolarHBondContact O-CB 3.3Å; S318-K322 WeakPolarHBondContact O-CG 3.33Å; S318-K322 PolarHBondContact O-N 3.11Å
319F98.7Very high98Very high0 Ų041.9 Ų41.90%022%0.22CC..Hα-helixtrans-58.3-50.8171.9174.5-92.4000111.3V241 I243 T249 Y251 L261 L290 D315 L316 I317 D321 K322 M323V241-F319 HydrophobicContact CB-CD2 3.75Å; V241-F319 HydrophobicContact CB-CE2 3.96Å; V241-F319 HydrophobicContact CG1-CD2 4.1Å; V241-F319 HydrophobicContact CG2-CD2 3.91Å; V241-F319 HydrophobicContact CG2-CE2 3.67Å; I243-F319 HydrophobicContact CG2-CB 3.83Å; T249-F319 HydrophobicContact CG2-CD2 4Å; T249-F319 HydrophobicContact CG2-CE2 4.22Å; Y251-F319 AromaticContact CD1-CE2 3.62Å; Y251-F319 HydrophobicContact CD1-CE2 3.62Å; Y251-F319 AromaticContact CD1-CZ 3.84Å; Y251-F319 HydrophobicContact CD1-CZ 3.84Å; Y251-F319 HydrophobicContact CE1-CE2 4.02Å; Y251-F319 HydrophobicContact CE1-CZ 4.23Å; Y251-F319 HydrophobicContact CG-CE2 4.21Å; Y251-F319 HydrophobicContact CG-CZ 4.01Å; L261-F319 HydrophobicContact CD1-CD1 3.91Å; L261-F319 HydrophobicContact CD1-CE1 3.57Å; L290-F319 HydrophobicContact CD2-CE1 4.02Å; L290-F319 HydrophobicContact CD2-CE2 4.2Å; L290-F319 HydrophobicContact CD2-CZ 3.77Å; D315-F319 PolarHBondContact O-N 3.24Å; L316-F319 HydrophobicContact CD1-CD1 4.42Å; L316-F319 WeakPolarHBondContact O-CB 3.26Å; L316-F319 PolarHBondContact O-N 3.45Å; I317-F319 VanDerWaalsContact C-N 3.3Å; I317-F319 PolarHBondContact O-N 3.48Å; F319-D321 VanDerWaalsContact C-N 3.35Å; F319-D321 PolarHBondContact O-N 2.72Å; F319-K322 PolarHBondContact O-N 2.93Å; F319-M323 HydrophobicContact CD1-CG 4.31Å; F319-M323 HydrophobicContact CD2-CG 4.44Å; F319-M323 HydrophobicContact CE1-CG 3.92Å; F319-M323 HydrophobicContact CE2-CG 4.07Å; F319-M323 HydrophobicContact CZ-CG 3.8Å; F319-M323 WeakPolarHBondContact O-CB 3.06Å; F319-M323 VanDerWaalsContact O-CG 3.29Å; F319-M323 WeakPolarHBondContact O-CG 3.46Å; F319-M323 PolarHBondContact O-N 3.24Å
320M98.5Very high98.1Very high0 Ų041.6 Ų41.60%022%0.219CC..Hα-helixtrans-59.9-43.3179.4-68.7171.459.900112.1L316 I317 M323 S324 I325 V328 R350L316-M320 VanDerWaalsContact O-CG 3.27Å; L316-M320 WeakPolarHBondContact O-CG 3.3Å; L316-M320 PolarHBondContact O-N 2.93Å; I317-M320 WeakPolarHBondContact O-CB 3.34Å; I317-M320 PolarHBondContact O-N 3.28Å; I317-M320 VanDerWaalsContact O-N 3.16Å; M320-M323 CarbonylContact O-C 3.48Å; M320-M323 PolarHBondContact O-N 3.22Å; M320-S324 PolarHBondContact O-N 3.47Å; M320-I325 PolarHBondContact O-N 2.64Å; M320-V328 HydrophobicContact CE-CB 4.41Å; M320-V328 HydrophobicContact CE-CG1 4.01Å; M320-V328 HydrophobicContact CE-CG2 3.73Å; M320-V328 HydrophobicContact CG-CG1 4.48Å; M320-V328 HydrophobicContact SD-CG2 3.93Å; M320-R350 HydrophobicContact CE-CB 3.84Å; M320-R350 WeakPolarHBondContact CE-O 3.47Å
321D98.4Very high98.2Very high86 Ų8638.7 Ų38.746%0.4621%0.205SC..Hα-helixtrans-62.4-45.4178.1-66.5-15.5000111.7I317 S318 F319 M323 S324 R350I317-D321 VanDerWaalsContact O-CG 3.23Å; I317-D321 PolarHBondContact O-N 3.05Å; S318-D321 PolarHBondContact O-N 2.91Å; F319-D321 VanDerWaalsContact C-N 3.35Å; F319-D321 PolarHBondContact O-N 2.72Å; D321-M323 VanDerWaalsContact C-N 3.29Å; D321-M323 PolarHBondContact O-N 3.34Å; D321-S324 WeakPolarHBondContact O-CA 3.24Å; D321-S324 PolarHBondContact O-N 3.17Å; D321-R350 IonicContact OD1-CZ 3.81Å; D321-R350 IonicContact OD1-NH1 2.79Å; D321-R350 PolarHBondContact OD1-NH1 3.2Å; D321-R350 IonicContact OD1-NH2 3.82Å; D321-R350 PolarHBondContact OD1-NH2 3.19Å; D321-R350 IonicContact OD2-NH1 3.92Å
322K98.3Very high98.3Very high142 Ų14235.5 Ų35.562%0.61719%0.192SC*.Hα-helixtrans-66.1-32.5177.9-68.5-67.9-178-174.90112.6V241 S318 F319 S324V241-K322 HydrophobicContact CG1-CB 3.52Å; V241-K322 HydrophobicContact CG1-CG 4Å; S318-K322 WeakPolarHBondContact O-CB 3.3Å; S318-K322 WeakPolarHBondContact O-CG 3.33Å; S318-K322 PolarHBondContact O-N 3.11Å; F319-K322 PolarHBondContact O-N 2.93Å; K322-S324 PolarHBondContact O-N 3.21Å
323M97.8Very high98.3Very high32 Ų3235.2 Ų35.216%0.15819%0.19CC..THydrogen-bonded Turntrans-79.8-2.4173.3-68.3-64.6-74.200113V241 Y251 L288 F319 M320 D321 I325V241-M323 HydrophobicContact CG2-CG 3.94Å; V241-M323 HydrophobicContact CG2-SD 3.54Å; V241-M323 VanDerWaalsContact CG2-SD 3.54Å; Y251-M323 HydrophobicContact CE1-CE 4.3Å; Y251-M323 HydrophobicContact CE1-SD 4.27Å; Y251-M323 HydrophobicContact CE2-CE 3.9Å; Y251-M323 WeakPolarHBondContact OH-CE 3.16Å; L288-M323 HydrophobicContact CD2-CE 4.04Å; F319-M323 HydrophobicContact CD1-CG 4.31Å; F319-M323 HydrophobicContact CD2-CG 4.44Å; F319-M323 HydrophobicContact CE1-CG 3.92Å; F319-M323 HydrophobicContact CE2-CG 4.07Å; F319-M323 HydrophobicContact CZ-CG 3.8Å; F319-M323 WeakPolarHBondContact O-CB 3.06Å; F319-M323 VanDerWaalsContact O-CG 3.29Å; F319-M323 WeakPolarHBondContact O-CG 3.46Å; F319-M323 PolarHBondContact O-N 3.24Å; M320-M323 CarbonylContact O-C 3.48Å; M320-M323 PolarHBondContact O-N 3.22Å; D321-M323 VanDerWaalsContact C-N 3.29Å; D321-M323 PolarHBondContact O-N 3.34Å; M323-I325 HydrophobicContact CB-CD1 3.71Å; M323-I325 HydrophobicContact CB-CG1 3.81Å; M323-I325 PolarHBondContact O-N 2.9Å
324S97.7Very high98.3Very high106 Ų10635.8 Ų35.874%0.74119%0.193SC*.THydrogen-bonded Turntrans54.939.3-174.9-60.40000112.7M320 D321 K322 P326M320-S324 PolarHBondContact O-N 3.47Å; D321-S324 WeakPolarHBondContact O-CA 3.24Å; D321-S324 PolarHBondContact O-N 3.17Å; K322-S324 PolarHBondContact O-N 3.21Å; S324-P326 WeakPolarHBondContact O-CD 3.29Å
325I97.9Very high98.4Very high6 Ų632.6 Ų32.63%0.03118%0.178CC..  trans-103.8105.3177.7-56.6173.3000108.8P259 L288 M320 M323 Q327 V328 R350P259-I325 HydrophobicContact CB-CD1 4.44Å; P259-I325 HydrophobicContact CB-CG2 4.21Å; P259-I325 HydrophobicContact CG-CG2 3.75Å; L288-I325 HydrophobicContact CD1-CD1 3.59Å; M320-I325 PolarHBondContact O-N 2.64Å; M323-I325 HydrophobicContact CB-CD1 3.71Å; M323-I325 HydrophobicContact CB-CG1 3.81Å; M323-I325 PolarHBondContact O-N 2.9Å; I325-Q327 WeakPolarHBondContact CG2-O 3.38Å; I325-V328 HydrophobicContact CB-CG1 4.41Å; I325-V328 HydrophobicContact CG2-CG1 3.38Å; I325-R350 PolarHBondContact O-NH2 2.73Å
326P97.3Very high98.4Very high99 Ų9931.9 Ų31.964%0.64317%0.174SC*.SBendtrans-68.8-43.1-178.425.4-32.5000111.6S324 R350S324-P326 WeakPolarHBondContact O-CD 3.29Å; P326-R350 PolarHBondContact O-NE 2.96Å
327Q97.6Very high98.4Very high79 Ų7931.4 Ų31.437%0.36917%0.172SC..  trans-137.4149.6178.1-63.4-170.7-4400111.9P259 I325 E349 R350 R352P259-Q327 WeakPolarHBondContact CG-O 3.25Å; I325-Q327 WeakPolarHBondContact CG2-O 3.38Å; Q327-E349 WeakPolarHBondContact CG-O 3.36Å; Q327-E349 PolarHBondContact NE2-O 3.41Å; Q327-R350 VanDerWaalsContact CA-O 3.23Å; Q327-R350 WeakPolarHBondContact CA-O 3.4Å; Q327-R352 HydrophobicContact CB-CB 4.19Å
328V98.3Very high98.4Very high1 Ų131.2 Ų31.21%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-131.3154.9177.2-67.70000111.7P259 M320 I325 L330 R350 I351 R352P259-V328 HydrophobicContact CB-CG1 4.26Å; P259-V328 HydrophobicContact CG-CG1 4.25Å; M320-V328 HydrophobicContact CE-CB 4.41Å; M320-V328 HydrophobicContact CE-CG1 4.01Å; M320-V328 HydrophobicContact CE-CG2 3.73Å; M320-V328 HydrophobicContact CG-CG1 4.48Å; M320-V328 HydrophobicContact SD-CG2 3.93Å; I325-V328 HydrophobicContact CB-CG1 4.41Å; I325-V328 HydrophobicContact CG2-CG1 3.38Å; V328-L330 HydrophobicContact CB-CD2 4.47Å; V328-L330 HydrophobicContact CG2-CD2 3.49Å; V328-L330 VanDerWaalsContact CG2-CD2 3.49Å; V328-L330 HydrophobicContact CG2-CG 3.75Å; V328-R350 PolarHBondContact N-O 3.33Å; V328-R350 VanDerWaalsContact N-O 3.13Å; V328-I351 HydrophobicContact CG2-CD1 4.23Å; V328-R352 WeakPolarHBondContact O-CB 3.36Å; V328-R352 PolarHBondContact O-N 3.31Å
329T98.8Very high98.4Very high1 Ų129.5 Ų29.51%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-83122.6152.8-65.90000108.8P259 V260 L261 V331 A353 W544 L545 H549P259-T329 PolarHBondContact O-N 3.22Å; V260-T329 WeakPolarHBondContact CA-O 3.32Å; L261-T329 PolarHBondContact N-O 2.86Å; T329-V331 HydrophobicContact CG2-CG2 4.4Å; T329-A353 VanDerWaalsContact CA-O 3.3Å; T329-A353 WeakPolarHBondContact CA-O 3.19Å; T329-A353 HydrophobicContact CG2-CB 4.08Å; T329-W544 HydrophobicContact CG2-CH2 3.7Å; T329-W544 HydrophobicContact CG2-CZ3 3.63Å; T329-L545 HydrophobicContact CG2-CD2 3.67Å; T329-H549 PolarHBondContact OG1-CE1 2.92Å; T329-H549 PolarHBondContact OG1-NE2 3.43Å
330L98.8Very high98.4Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-96.3132.8175.5-70.9-174.4000110.7L261 L316 V328 V340 M343 I351 A353 V354 A355L261-L330 HydrophobicContact CB-CD2 3.93Å; L261-L330 HydrophobicContact CD2-CD2 3.52Å; L261-L330 HydrophobicContact CG-CD2 4.29Å; L316-L330 HydrophobicContact CD2-CD1 4.23Å; L316-L330 HydrophobicContact CD2-CD2 4.17Å; V328-L330 HydrophobicContact CB-CD2 4.47Å; V328-L330 HydrophobicContact CG2-CD2 3.49Å; V328-L330 VanDerWaalsContact CG2-CD2 3.49Å; V328-L330 HydrophobicContact CG2-CG 3.75Å; L330-V340 HydrophobicContact CB-CB 3.83Å; L330-V340 HydrophobicContact CB-CG1 3.64Å; L330-V340 HydrophobicContact CD1-CB 4.13Å; L330-V340 HydrophobicContact CD1-CG1 4.05Å; L330-V340 HydrophobicContact CG-CG1 4.32Å; L330-M343 HydrophobicContact CD1-CB 3.55Å; L330-M343 HydrophobicContact CD1-CE 4.49Å; L330-M343 HydrophobicContact CD1-CG 3.86Å; L330-I351 HydrophobicContact CD1-CD1 3.37Å; L330-I351 HydrophobicContact CD1-CG1 4.35Å; L330-I351 HydrophobicContact CG-CD1 3.82Å; L330-A353 PolarHBondContact N-O 3.23Å; L330-V354 CarbonylContact O-C 3.54Å; L330-V354 WeakPolarHBondContact O-CA 3.4Å; L330-A355 PolarHBondContact O-N 3.47Å
331V98.9Very high98.4Very high0 Ų029.7 Ų29.70%016%0.163CC..EExtended strand (participates in β ladder)trans-124.5122.6171.3-172.70000108.2V260 L261 L262 C263 W273 T329 A355 L541V260-V331 HydrophobicContact CG1-CG2 3.79Å; L261-V331 PolarHBondContact O-N 2.66Å; L262-V331 CarbonylContact C-O 3.53Å; L262-V331 WeakPolarHBondContact CA-O 3.5Å; L262-V331 HydrophobicContact CD2-CB 3.68Å; L262-V331 HydrophobicContact CD2-CG1 4.32Å; L262-V331 HydrophobicContact CD2-CG2 3.97Å; C263-V331 PolarHBondContact N-O 2.7Å; W273-V331 HydrophobicContact CH2-CG1 3.95Å; W273-V331 HydrophobicContact CZ3-CG1 4.24Å; T329-V331 HydrophobicContact CG2-CG2 4.4Å; V331-A355 CarbonylContact C-O 3.4Å; V331-A355 WeakPolarHBondContact CA-O 3.24Å; V331-A355 HydrophobicContact CB-CB 4.44Å; V331-A355 HydrophobicContact CG1-CB 4.13Å; V331-A355 HydrophobicContact CG2-CB 4.15Å; V331-L541 HydrophobicContact CG1-CD1 4.3Å; V331-L541 HydrophobicContact CG1-CD2 4Å
332G98.9Very high98.3Very high0 Ų026.3 Ų26.30%015%0.145CC..EExtended strand (participates in β ladder)trans-123.8153.2-177.500000112.8C263 A355 S356 L357C263-G332 WeakPolarHBondContact O-CA 3.1Å; G332-A355 PolarHBondContact N-O 3.01Å; G332-S356 CarbonylContact O-C 3.36Å; G332-S356 WeakPolarHBondContact O-CA 3.32Å; G332-L357 PolarHBondContact O-N 3.26Å
333H98.9Very high98.3Very high0 Ų019.5 Ų19.50%012%0.116CC..EExtended strand (participates in β ladder)trans-132.8145.6169.5165.3-101.2000110.1C263 H264 G265 E268 W273 W335 G336 G337 L357 H527 Q530C263-H333 PolarHBondContact O-N 3.2Å; H264-H333 CarbonylContact C-O 3.56Å; G265-H333 WeakPolarHBondContact CA-O 3.3Å; G265-H333 PolarHBondContact N-O 2.88Å; E268-H333 IonicContact OE1-CE1 3.32Å; E268-H333 PolarHBondContact OE1-CE1 3.2Å; E268-H333 IonicContact OE1-ND1 2.7Å; E268-H333 PolarHBondContact OE1-ND1 2.91Å; E268-H333 IonicContact OE2-ND1 3.09Å; W273-H333 HydrophobicContact CH2-CB 4.06Å; W273-H333 HydrophobicContact CZ2-CB 3.88Å; H333-W335 PolarHBondContact O-N 2.82Å; H333-G336 VanDerWaalsContact O-CA 3.25Å; H333-G336 WeakPolarHBondContact O-CA 3.49Å; H333-G336 PolarHBondContact O-N 2.99Å; H333-G337 VanDerWaalsContact C-N 3.35Å; H333-G337 VanDerWaalsContact N-N 3.19Å; H333-G337 PolarHBondContact O-N 3.14Å; H333-G337 VanDerWaalsContact O-N 3.07Å; H333-L357 HydrophobicContact CB-CB 4.07Å; H333-L357 HydrophobicContact CB-CD1 4.48Å; H333-H527 PolarHBondContact NE2-O 3.08Å; H333-Q530 PolarHBondContact ND1-NE2 2.95Å; H333-Q530 VanDerWaalsContact ND1-NE2 3.13Å
334D98.6Very high98.3Very high13 Ų1318.1 Ų18.17%0.0711%0.109CC..Hα-helixtrans48-118.7-175.7171.1-101.7000111.6G265 F266 G336 G337 A338 T359 H527G265-D334 WeakPolarHBondContact CA-OD1 3.46Å; F266-D334 PolarHBondContact N-OD1 2.72Å; D334-G336 VanDerWaalsContact C-N 3.3Å; D334-G336 PolarHBondContact O-N 3.18Å; D334-G337 VanDerWaalsContact O-CA 3.31Å; D334-G337 WeakPolarHBondContact O-CA 3.18Å; D334-G337 PolarHBondContact O-N 3.46Å; D334-A338 PolarHBondContact O-N 2.99Å; D334-T359 VanDerWaalsContact C-OG1 3.26Å; D334-T359 WeakPolarHBondContact CA-OG1 3.37Å; D334-T359 PolarHBondContact N-OG1 3.32Å; D334-T359 WeakPolarHBondContact O-CB 3.18Å; D334-T359 PolarHBondContact O-OG1 3.38Å; D334-H527 IonicContact OD2-CE1 2.83Å; D334-H527 IonicContact OD2-NE2 2.61Å
335W98.7Very high98.1Very high31 Ų3114.3 Ų14.312%0.1178%0.079CC..Hα-helixtrans-64.6-32.1175.9-88109.9000113.5H333 G337 A338 L339 W468 Y469H333-W335 PolarHBondContact O-N 2.82Å; W335-G337 VanDerWaalsContact C-N 3.27Å; W335-A338 HydrophobicContact CE3-CB 4.14Å; W335-A338 PolarHBondContact O-N 2.96Å; W335-L339 PolarHBondContact O-N 3.11Å; W335-W468 HydrophobicContact CB-CE3 3.82Å; W335-W468 HydrophobicContact CB-CZ3 4.22Å; W335-W468 HydrophobicContact CD2-CB 4.19Å; W335-W468 HydrophobicContact CD2-CE3 4.23Å; W335-W468 HydrophobicContact CE3-CE3 4.17Å; W335-W468 HydrophobicContact CG-CB 4.34Å; W335-W468 HydrophobicContact CG-CE3 4.12Å; W335-W468 WeakPolarHBondContact CH2-O 3.16Å; W335-Y469 AromaticContact CD1-CE2 3.85Å; W335-Y469 AromaticContact CD1-CZ 3.63Å; W335-Y469 AromaticContact CE2-CD1 3.81Å; W335-Y469 AromaticContact CE2-CE1 3.71Å; W335-Y469 AromaticContact CE2-CZ 3.96Å; W335-Y469 AromaticContact CZ2-CD1 3.48Å; W335-Y469 HydrophobicContact CZ2-CD1 3.48Å; W335-Y469 VanDerWaalsContact CZ2-CD1 3.48Å; W335-Y469 HydrophobicContact CZ2-CD2 4.47Å; W335-Y469 AromaticContact CZ2-CE1 3.8Å; W335-Y469 HydrophobicContact CZ2-CE1 3.8Å; W335-Y469 AromaticContact CZ2-CG 3.85Å; W335-Y469 HydrophobicContact CZ2-CG 3.85Å; W335-Y469 AromaticContact NE1-CD1 3.53Å; W335-Y469 AromaticContact NE1-CD2 3.59Å; W335-Y469 AromaticContact NE1-CE1 3.06Å; W335-Y469 AromaticContact NE1-CE2 3.17Å; W335-Y469 AromaticContact NE1-CG 3.77Å; W335-Y469 AromaticContact NE1-CZ 2.88Å; W335-Y469 PolarHBondContact NE1-OH 2.66Å
336G98.8Very high98Very high0 Ų015 Ų150%08%0.081CC..Hα-helixtrans-60.2-40.9167.900000110.8H264 H333 D334 L339 V340H264-G336 WeakPolarHBondContact O-CA 3.17Å; H264-G336 PolarHBondContact O-N 2.64Å; H333-G336 VanDerWaalsContact O-CA 3.25Å; H333-G336 WeakPolarHBondContact O-CA 3.49Å; H333-G336 PolarHBondContact O-N 2.99Å; D334-G336 VanDerWaalsContact C-N 3.3Å; D334-G336 PolarHBondContact O-N 3.18Å; G336-L339 WeakPolarHBondContact O-CB 3.39Å; G336-L339 PolarHBondContact O-N 3.25Å; G336-V340 WeakPolarHBondContact O-CG1 3.41Å; G336-V340 PolarHBondContact O-N 2.87Å
337G98.6Very high98Very high0 Ų012 Ų120%06%0.058CC..Hα-helixtrans-59.2-45.5173.500000112.8H333 D334 W335 L339 V340 W341 S356H333-G337 VanDerWaalsContact C-N 3.35Å; H333-G337 VanDerWaalsContact N-N 3.19Å; H333-G337 PolarHBondContact O-N 3.14Å; H333-G337 VanDerWaalsContact O-N 3.07Å; D334-G337 VanDerWaalsContact O-CA 3.31Å; D334-G337 WeakPolarHBondContact O-CA 3.18Å; D334-G337 PolarHBondContact O-N 3.46Å; W335-G337 VanDerWaalsContact C-N 3.27Å; G337-L339 VanDerWaalsContact C-N 3.33Å; G337-L339 PolarHBondContact O-N 3Å; G337-V340 VanDerWaalsContact O-CG2 3.25Å; G337-V340 WeakPolarHBondContact O-CG2 3.39Å; G337-V340 PolarHBondContact O-N 2.76Å; G337-W341 VanDerWaalsContact O-CD1 3.22Å; G337-W341 PolarHBondContact O-N 2.82Å; G337-S356 WeakPolarHBondContact CA-OG 3.47Å
338A98.1Very high97.9Very high22 Ų2211.1 Ų11.118%0.1826%0.059CC..Hα-helixtrans-62.5-40.3174.900000112.2D334 W335 T342 T359D334-A338 PolarHBondContact O-N 2.99Å; W335-A338 HydrophobicContact CE3-CB 4.14Å; W335-A338 PolarHBondContact O-N 2.96Å; A338-T342 WeakPolarHBondContact O-CB 3.44Å; A338-T342 PolarHBondContact O-N 3.46Å; A338-T342 VanDerWaalsContact O-N 3.09Å; A338-T342 PolarHBondContact O-OG1 2.95Å; A338-T359 HydrophobicContact CB-CG2 4.16Å
339L98.7Very high97.8Very high1 Ų116.2 Ų16.21%0.0058%0.083CC..Hα-helixtrans-65.4-45.7178.1177.465.5000111.8M292 L312 W335 G336 G337 W341 T342 M343 W468M292-L339 HydrophobicContact CE-CD2 3.3Å; L312-L339 HydrophobicContact CB-CD1 3.87Å; W335-L339 PolarHBondContact O-N 3.11Å; G336-L339 WeakPolarHBondContact O-CB 3.39Å; G336-L339 PolarHBondContact O-N 3.25Å; G337-L339 VanDerWaalsContact C-N 3.33Å; G337-L339 PolarHBondContact O-N 3Å; L339-W341 VanDerWaalsContact C-N 3.34Å; L339-W341 PolarHBondContact O-N 3.49Å; L339-T342 WeakPolarHBondContact O-CB 3.38Å; L339-T342 PolarHBondContact O-N 3.11Å; L339-T342 VanDerWaalsContact O-N 3.13Å; L339-M343 HydrophobicContact CD1-CG 4.38Å; L339-M343 HydrophobicContact CG-CG 4.43Å; L339-M343 WeakPolarHBondContact O-CG 3.47Å; L339-M343 PolarHBondContact O-N 2.94Å; L339-W468 HydrophobicContact CD2-CH2 4.22Å
340V98.7Very high97.8Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-67.8-35.1-177.2-58.70000111.9C263 L330 G336 G337 T342 M343 A344 V354 A355C263-V340 HydrophobicContact CB-CG1 4.15Å; L330-V340 HydrophobicContact CB-CB 3.83Å; L330-V340 HydrophobicContact CB-CG1 3.64Å; L330-V340 HydrophobicContact CD1-CB 4.13Å; L330-V340 HydrophobicContact CD1-CG1 4.05Å; L330-V340 HydrophobicContact CG-CG1 4.32Å; G336-V340 WeakPolarHBondContact O-CG1 3.41Å; G336-V340 PolarHBondContact O-N 2.87Å; G337-V340 VanDerWaalsContact O-CG2 3.25Å; G337-V340 WeakPolarHBondContact O-CG2 3.39Å; G337-V340 PolarHBondContact O-N 2.76Å; V340-T342 VanDerWaalsContact C-N 3.34Å; V340-M343 PolarHBondContact O-N 3.35Å; V340-A344 WeakPolarHBondContact O-CB 3.3Å; V340-A344 PolarHBondContact O-N 3.45Å; V340-V354 HydrophobicContact CB-CG2 3.91Å; V340-V354 HydrophobicContact CG2-CG2 3.83Å; V340-A355 WeakPolarHBondContact CG2-O 3.44Å
341W98.3Very high97.8Very high4 Ų417.8 Ų17.82%0.0159%0.089CC..Hα-helixtrans-62.9-41.6170.1-77.5134.9000112.5G337 L339 A344 R345 V354 S356 T359 L361 I487 A491 M493 M510 L517G337-W341 VanDerWaalsContact O-CD1 3.22Å; G337-W341 PolarHBondContact O-N 2.82Å; L339-W341 VanDerWaalsContact C-N 3.34Å; L339-W341 PolarHBondContact O-N 3.49Å; W341-A344 PolarHBondContact O-N 3Å; W341-R345 WeakPolarHBondContact O-CB 3.37Å; W341-R345 PolarHBondContact O-N 2.73Å; W341-V354 HydrophobicContact CE3-CG1 4.05Å; W341-V354 HydrophobicContact CE3-CG2 4.01Å; W341-V354 HydrophobicContact CH2-CG1 4.25Å; W341-V354 HydrophobicContact CZ3-CB 4.41Å; W341-V354 HydrophobicContact CZ3-CG1 3.48Å; W341-V354 VanDerWaalsContact CZ3-CG1 3.48Å; W341-V354 HydrophobicContact CZ3-CG2 4.04Å; W341-S356 PolarHBondContact NE1-OG 2.85Å; W341-T359 PolarHBondContact NE1-O 3.12Å; W341-L361 HydrophobicContact CB-CD1 3.76Å; W341-L361 HydrophobicContact CD2-CB 4.26Å; W341-L361 HydrophobicContact CD2-CD1 4.34Å; W341-L361 HydrophobicContact CG-CB 4.3Å; W341-L361 HydrophobicContact CG-CD1 3.99Å; W341-I487 HydrophobicContact CE3-CD1 3.87Å; W341-I487 HydrophobicContact CZ3-CD1 4.34Å; W341-A491 HydrophobicContact CH2-CB 4.09Å; W341-A491 HydrophobicContact CZ3-CB 4.06Å; W341-M493 HydrophobicContact CZ2-SD 4.39Å; W341-M510 HydrophobicContact CH2-CE 4.1Å; W341-M510 HydrophobicContact CZ2-CE 3.64Å; W341-L517 HydrophobicContact CH2-CD1 4.29Å
342T96.9Very high97.8Very high15 Ų1523.6 Ų23.69%0.09211%0.111CC..Hα-helixtrans-62.8-45.9176.4-59.10000110.7Q309 A338 L339 V340 A344 R345 Y346 W478Q309-T342 HydrophobicContact CB-CG2 4.34Å; Q309-T342 PolarHBondContact OE1-OG1 3.03Å; A338-T342 WeakPolarHBondContact O-CB 3.44Å; A338-T342 PolarHBondContact O-N 3.46Å; A338-T342 VanDerWaalsContact O-N 3.09Å; A338-T342 PolarHBondContact O-OG1 2.95Å; L339-T342 WeakPolarHBondContact O-CB 3.38Å; L339-T342 PolarHBondContact O-N 3.11Å; L339-T342 VanDerWaalsContact O-N 3.13Å; V340-T342 VanDerWaalsContact C-N 3.34Å; T342-A344 PolarHBondContact O-N 2.6Å; T342-R345 PolarHBondContact O-N 2.78Å; T342-Y346 HydrophobicContact CG2-CD2 3.67Å; T342-Y346 HydrophobicContact CG2-CE2 4.04Å; T342-Y346 VanDerWaalsContact O-CD2 3.25Å; T342-Y346 WeakPolarHBondContact O-CD2 3.2Å; T342-Y346 PolarHBondContact O-N 3.16Å; T342-W478 HydrophobicContact CG2-CH2 3.71Å; T342-W478 HydrophobicContact CG2-CZ3 3.5Å; T342-W478 VanDerWaalsContact CG2-CZ3 3.5Å
343M97.9Very high97.8Very high0 Ų023.6 Ų23.60%011%0.111CC..Hα-helixtrans-57.5-47.7174.6-74.6-68.7-61.800112.2C313 L316 I317 L330 L339 V340 R345 Y346 F347 I351C313-M343 VanDerWaalsContact CA-SD 3.58Å; C313-M343 HydrophobicContact CB-SD 3.53Å; C313-M343 VanDerWaalsContact CB-SD 3.53Å; L316-M343 HydrophobicContact CB-SD 4.46Å; L316-M343 HydrophobicContact CD2-CE 4.04Å; L316-M343 HydrophobicContact CD2-CG 4.03Å; L316-M343 HydrophobicContact CD2-SD 4.15Å; L316-M343 HydrophobicContact CG-CE 4.42Å; I317-M343 HydrophobicContact CG1-CE 4.02Å; L330-M343 HydrophobicContact CD1-CB 3.55Å; L330-M343 HydrophobicContact CD1-CE 4.49Å; L330-M343 HydrophobicContact CD1-CG 3.86Å; L339-M343 HydrophobicContact CD1-CG 4.38Å; L339-M343 HydrophobicContact CG-CG 4.43Å; L339-M343 WeakPolarHBondContact O-CG 3.47Å; L339-M343 PolarHBondContact O-N 2.94Å; V340-M343 PolarHBondContact O-N 3.35Å; M343-R345 PolarHBondContact O-N 2.91Å; M343-Y346 PolarHBondContact O-N 3.1Å; M343-F347 HydrophobicContact CE-CB 4.38Å; M343-F347 CarbonylContact O-C 3.59Å; M343-F347 WeakPolarHBondContact O-CA 3.27Å; M343-F347 PolarHBondContact O-N 2.88Å; M343-F347 HydrophobicContact SD-CD2 4.02Å; M343-I351 HydrophobicContact CB-CD1 4.12Å; M343-I351 HydrophobicContact CB-CG1 4.34Å; M343-I351 HydrophobicContact CE-CD1 4.02Å
344A97.4Very high97.7Very high2 Ų223.6 Ų23.62%0.01711%0.111CC..Hα-helixtrans-63.4-31.2179.500000113V340 W341 T342 I351 V354 I487 M489V340-A344 WeakPolarHBondContact O-CB 3.3Å; V340-A344 PolarHBondContact O-N 3.45Å; W341-A344 PolarHBondContact O-N 3Å; T342-A344 PolarHBondContact O-N 2.6Å; A344-I351 HydrophobicContact CB-CG2 4.38Å; A344-V354 HydrophobicContact CB-CB 4.02Å; A344-V354 HydrophobicContact CB-CG1 3.79Å; A344-V354 HydrophobicContact CB-CG2 4.16Å; A344-I487 HydrophobicContact CB-CD1 4.3Å; A344-I487 HydrophobicContact CB-CG2 4.1Å; A344-M489 HydrophobicContact CB-SD 4.19Å
345R95.3Very high97.8Very high27 Ų2723 Ų2310%0.10211%0.107CC..Hα-helixtrans-79.1-42.6179179.3172.6-83.9168.2-6.7113.3W341 T342 M343 F362 S363 T484 I487W341-R345 WeakPolarHBondContact O-CB 3.37Å; W341-R345 PolarHBondContact O-N 2.73Å; T342-R345 PolarHBondContact O-N 2.78Å; M343-R345 PolarHBondContact O-N 2.91Å; R345-F362 PolarHBondContact NH1-O 3.28Å; R345-S363 PolarHBondContact NH2-OG 2.93Å; R345-S363 VanDerWaalsContact NH2-OG 3.08Å; R345-T484 HydrophobicContact CG-CG2 4.23Å; R345-I487 HydrophobicContact CB-CD1 4.37Å; R345-I487 HydrophobicContact CB-CG1 4.48Å
346Y94.9Very high97.8Very high21 Ų2121.5 Ų21.58%0.08210%0.102CC..Hα-helixtrans-104.4-17.1-170.1-64.2-74.5000114.4T342 M343 P348 W478 M479 Q482 T484T342-Y346 HydrophobicContact CG2-CD2 3.67Å; T342-Y346 HydrophobicContact CG2-CE2 4.04Å; T342-Y346 VanDerWaalsContact O-CD2 3.25Å; T342-Y346 WeakPolarHBondContact O-CD2 3.2Å; T342-Y346 PolarHBondContact O-N 3.16Å; M343-Y346 PolarHBondContact O-N 3.1Å; Y346-P348 VanDerWaalsContact C-CD 3.41Å; Y346-W478 HydrophobicContact CD1-CH2 4.48Å; Y346-W478 AromaticContact CD2-CH2 3.56Å; Y346-W478 HydrophobicContact CD2-CH2 3.56Å; Y346-W478 HydrophobicContact CD2-CZ2 4.42Å; Y346-W478 AromaticContact CD2-CZ3 3.85Å; Y346-W478 HydrophobicContact CD2-CZ3 3.85Å; Y346-W478 HydrophobicContact CE2-CH2 4.12Å; Y346-W478 AromaticContact CE2-CZ3 3.94Å; Y346-W478 HydrophobicContact CE2-CZ3 3.94Å; Y346-W478 AromaticContact CG-CH2 3.78Å; Y346-W478 HydrophobicContact CG-CH2 3.78Å; Y346-W478 HydrophobicContact CG-CZ2 4.22Å; Y346-W478 HydrophobicContact CG-CZ3 4.43Å; Y346-M479 HydrophobicContact CE2-CG 3.98Å; Y346-M479 WeakPolarHBondContact OH-CA 3.38Å; Y346-M479 VanDerWaalsContact OH-CB 3.25Å; Y346-M479 WeakPolarHBondContact OH-CB 3.39Å; Y346-M479 PolarHBondContact OH-O 3.17Å; Y346-Q482 HydrophobicContact CD1-CB 4.25Å; Y346-Q482 HydrophobicContact CE1-CB 3.97Å; Y346-T484 HydrophobicContact CE1-CG2 3.86Å; Y346-T484 WeakPolarHBondContact OH-CG2 3.37Å
347F96.4Very high97.8Very high35 Ų3521.5 Ų21.515%0.15410%0.102CC..  trans-133.449.9178.5-55.7-79.7000111.5C313 I317 M343 E349 R350 W478C313-F347 HydrophobicContact CB-CD2 4.04Å; C313-F347 HydrophobicContact CB-CE2 3.49Å; C313-F347 VanDerWaalsContact CB-CE2 3.49Å; C313-F347 HydrophobicContact CB-CZ 4.35Å; I317-F347 HydrophobicContact CD1-CB 4.26Å; I317-F347 HydrophobicContact CD1-CD1 3.26Å; I317-F347 HydrophobicContact CD1-CD2 3.92Å; I317-F347 HydrophobicContact CD1-CE1 3.38Å; I317-F347 HydrophobicContact CD1-CE2 4.05Å; I317-F347 HydrophobicContact CD1-CG 3.53Å; I317-F347 HydrophobicContact CD1-CZ 3.78Å; M343-F347 HydrophobicContact CE-CB 4.38Å; M343-F347 CarbonylContact O-C 3.59Å; M343-F347 WeakPolarHBondContact O-CA 3.27Å; M343-F347 PolarHBondContact O-N 2.88Å; M343-F347 HydrophobicContact SD-CD2 4.02Å; F347-E349 WeakPolarHBondContact CA-OE2 3.48Å; F347-E349 PolarHBondContact O-N 3.26Å; F347-E349 VanDerWaalsContact O-N 3.11Å; F347-R350 HydrophobicContact CB-CG 4.33Å; F347-R350 WeakPolarHBondContact O-CB 3.42Å; F347-R350 PolarHBondContact O-N 2.93Å; F347-W478 HydrophobicContact CE2-CH2 4.42Å; F347-W478 HydrophobicContact CE2-CZ2 4.27Å; F347-W478 HydrophobicContact CZ-CZ2 4.49Å
348P96.6Very high97.8Very high61 Ų6121.6 Ų21.640%0.39610%0.103SC..G310 helixtrans-58.4-28.7-172.527.7-37.7000113.2Y346 R350 I351 M489Y346-P348 VanDerWaalsContact C-CD 3.41Å; P348-R350 PolarHBondContact O-N 3.48Å; P348-I351 PolarHBondContact O-N 2.74Å; P348-I351 VanDerWaalsContact O-N 3.13Å; P348-M489 HydrophobicContact CB-CE 3.45Å; P348-M489 VanDerWaalsContact CB-CE 3.45Å
349E96.8Very high97.8Very high108 Ų10820.8 Ų20.851%0.50510%0.095SC..G310 helixtrans-63.8-21.9177.674.8-69.3168.100113.4Q327 F347Q327-E349 WeakPolarHBondContact CG-O 3.36Å; Q327-E349 PolarHBondContact NE2-O 3.41Å; F347-E349 WeakPolarHBondContact CA-OE2 3.48Å; F347-E349 PolarHBondContact O-N 3.26Å; F347-E349 VanDerWaalsContact O-N 3.11Å
350R98.1Very high97.7Very high30 Ų3020.9 Ų20.911%0.11310%0.096CC..G310 helixtrans-92.5-10.4178.1-55.9-51.1-60.7-91.81.7112.8M320 D321 I325 P326 Q327 V328 F347 P348M320-R350 HydrophobicContact CE-CB 3.84Å; M320-R350 WeakPolarHBondContact CE-O 3.47Å; D321-R350 IonicContact OD1-CZ 3.81Å; D321-R350 IonicContact OD1-NH1 2.79Å; D321-R350 PolarHBondContact OD1-NH1 3.2Å; D321-R350 IonicContact OD1-NH2 3.82Å; D321-R350 PolarHBondContact OD1-NH2 3.19Å; D321-R350 IonicContact OD2-NH1 3.92Å; I325-R350 PolarHBondContact O-NH2 2.73Å; P326-R350 PolarHBondContact O-NE 2.96Å; Q327-R350 VanDerWaalsContact CA-O 3.23Å; Q327-R350 WeakPolarHBondContact CA-O 3.4Å; V328-R350 PolarHBondContact N-O 3.33Å; V328-R350 VanDerWaalsContact N-O 3.13Å; F347-R350 HydrophobicContact CB-CG 4.33Å; F347-R350 WeakPolarHBondContact O-CB 3.42Å; F347-R350 PolarHBondContact O-N 2.93Å; P348-R350 PolarHBondContact O-N 3.48Å
351I98.3Very high97.6Very high3 Ų321.7 Ų21.72%0.01510%0.1CC..EExtended strand (participates in β ladder)trans-112.3111.9-169.6-52.5-47.6000109.9V328 L330 M343 A344 P348 A353 V354 M489V328-I351 HydrophobicContact CG2-CD1 4.23Å; L330-I351 HydrophobicContact CD1-CD1 3.37Å; L330-I351 HydrophobicContact CD1-CG1 4.35Å; L330-I351 HydrophobicContact CG-CD1 3.82Å; M343-I351 HydrophobicContact CB-CD1 4.12Å; M343-I351 HydrophobicContact CB-CG1 4.34Å; M343-I351 HydrophobicContact CE-CD1 4.02Å; A344-I351 HydrophobicContact CB-CG2 4.38Å; P348-I351 PolarHBondContact O-N 2.74Å; P348-I351 VanDerWaalsContact O-N 3.13Å; I351-A353 VanDerWaalsContact CG2-O 3.27Å; I351-A353 WeakPolarHBondContact CG2-O 3.26Å; I351-V354 HydrophobicContact CG2-CB 4.18Å; I351-M489 HydrophobicContact CB-CE 4.26Å; I351-M489 HydrophobicContact CG2-CG 4.33Å
352R98.3Very high97.1Very high122 Ų12226.4 Ų26.446%0.4612%0.121SC..EExtended strand (participates in β ladder)trans-70.9-42.7173.4175.459-177.4-165.54.5111.1Q327 V328Q327-R352 HydrophobicContact CB-CB 4.19Å; V328-R352 WeakPolarHBondContact O-CB 3.36Å; V328-R352 PolarHBondContact O-N 3.31Å
353A98.8Very high96.4Very high0 Ų028.5 Ų28.50%014%0.136CC..EExtended strand (participates in β ladder)trans-160.4161.2176.700000110T329 L330 I351 P490 W544 T548T329-A353 VanDerWaalsContact CA-O 3.3Å; T329-A353 WeakPolarHBondContact CA-O 3.19Å; T329-A353 HydrophobicContact CG2-CB 4.08Å; L330-A353 PolarHBondContact N-O 3.23Å; I351-A353 VanDerWaalsContact CG2-O 3.27Å; I351-A353 WeakPolarHBondContact CG2-O 3.26Å; A353-P490 VanDerWaalsContact CA-O 3.26Å; A353-P490 WeakPolarHBondContact CA-O 3.38Å; A353-P490 HydrophobicContact CB-CB 4.11Å; A353-P490 WeakPolarHBondContact CB-O 3.36Å; A353-W544 HydrophobicContact CB-CH2 3.57Å; A353-W544 HydrophobicContact CB-CZ2 3.75Å; A353-T548 HydrophobicContact CB-CG2 3.65Å
354V98.9Very high95.7Very high0 Ų029.7 Ų29.70%014%0.144CC..EExtended strand (participates in β ladder)trans-135.6136.5-178.358.20000111.8L330 V340 W341 A344 I351 I487 M489 P490 A491 L492L330-V354 CarbonylContact O-C 3.54Å; L330-V354 WeakPolarHBondContact O-CA 3.4Å; V340-V354 HydrophobicContact CB-CG2 3.91Å; V340-V354 HydrophobicContact CG2-CG2 3.83Å; W341-V354 HydrophobicContact CE3-CG1 4.05Å; W341-V354 HydrophobicContact CE3-CG2 4.01Å; W341-V354 HydrophobicContact CH2-CG1 4.25Å; W341-V354 HydrophobicContact CZ3-CB 4.41Å; W341-V354 HydrophobicContact CZ3-CG1 3.48Å; W341-V354 VanDerWaalsContact CZ3-CG1 3.48Å; W341-V354 HydrophobicContact CZ3-CG2 4.04Å; A344-V354 HydrophobicContact CB-CB 4.02Å; A344-V354 HydrophobicContact CB-CG1 3.79Å; A344-V354 HydrophobicContact CB-CG2 4.16Å; I351-V354 HydrophobicContact CG2-CB 4.18Å; V354-I487 HydrophobicContact CG1-CG2 4.28Å; V354-M489 HydrophobicContact CG1-CG 4.46Å; V354-P490 PolarHBondContact N-O 2.73Å; V354-A491 HydrophobicContact CG1-CB 3.85Å; V354-A491 CarbonylContact O-C 3.49Å; V354-A491 WeakPolarHBondContact O-CA 3.38Å; V354-L492 PolarHBondContact O-N 3.44Å
355A98.9Very high95.2Very high0 Ų031.3 Ų31.30%015%0.152CC..EExtended strand (participates in β ladder)trans-130.3141172.900000110.5L330 V331 G332 V340 L492 L541 W544L330-A355 PolarHBondContact O-N 3.47Å; V331-A355 CarbonylContact C-O 3.4Å; V331-A355 WeakPolarHBondContact CA-O 3.24Å; V331-A355 HydrophobicContact CB-CB 4.44Å; V331-A355 HydrophobicContact CG1-CB 4.13Å; V331-A355 HydrophobicContact CG2-CB 4.15Å; G332-A355 PolarHBondContact N-O 3.01Å; V340-A355 WeakPolarHBondContact CG2-O 3.44Å; A355-L492 CarbonylContact C-O 3.52Å; A355-L492 VanDerWaalsContact CA-O 3.27Å; A355-L492 WeakPolarHBondContact CA-O 3.39Å; A355-L492 HydrophobicContact CB-CB 3.84Å; A355-L492 HydrophobicContact CB-CD2 4.08Å; A355-L492 HydrophobicContact CB-CG 4.32Å; A355-L541 HydrophobicContact CB-CD2 4.36Å; A355-W544 HydrophobicContact CB-CE3 4.38Å; A355-W544 HydrophobicContact CB-CH2 4Å; A355-W544 HydrophobicContact CB-CZ3 3.84Å
356S98.9Very high94.7Very high0 Ų034.9 Ų34.90%018%0.179CC..EExtended strand (participates in β ladder)trans-127.4132.6173-173.30000110.8G332 G337 W341 T359 L492 V494G332-S356 CarbonylContact O-C 3.36Å; G332-S356 WeakPolarHBondContact O-CA 3.32Å; G337-S356 WeakPolarHBondContact CA-OG 3.47Å; W341-S356 PolarHBondContact NE1-OG 2.85Å; S356-T359 WeakPolarHBondContact CB-O 3.17Å; S356-T359 PolarHBondContact OG-O 3.25Å; S356-L492 PolarHBondContact N-O 2.89Å; S356-V494 PolarHBondContact O-N 3.04Å
357L98.9Very high94.2Very high1 Ų138.5 Ų38.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-95.2124.6168.8-47.7-173.9000108.3W273 G332 H333 T359 V494 T529 Q530 T537 L541W273-L357 HydrophobicContact CH2-CD1 3.55Å; W273-L357 HydrophobicContact CH2-CG 4.2Å; W273-L357 HydrophobicContact CZ3-CD1 3.68Å; G332-L357 PolarHBondContact O-N 3.26Å; H333-L357 HydrophobicContact CB-CB 4.07Å; H333-L357 HydrophobicContact CB-CD1 4.48Å; L357-T359 PolarHBondContact O-N 3.01Å; L357-V494 HydrophobicContact CD2-CB 3.57Å; L357-V494 HydrophobicContact CD2-CG1 4.12Å; L357-V494 HydrophobicContact CD2-CG2 3.58Å; L357-T529 HydrophobicContact CD1-CG2 4.35Å; L357-Q530 HydrophobicContact CD1-CG 3.88Å; L357-T537 HydrophobicContact CD1-CG2 3.95Å; L357-L541 HydrophobicContact CD2-CD2 4.39Å
358N98.7Very high93.6Very high2 Ų240.8 Ų40.81%0.01122%0.217CC..SBendtrans71.6-49.8176.1-51.248.2000113.7P360 M493 V494 D499 L502 H527 T529N358-P360 VanDerWaalsContact O-CD 3.27Å; N358-P360 WeakPolarHBondContact O-CD 3.31Å; N358-M493 VanDerWaalsContact O-CE 3.24Å; N358-M493 WeakPolarHBondContact O-CE 3.23Å; N358-V494 PolarHBondContact N-O 3.4Å; N358-D499 PolarHBondContact ND2-OD2 3.48Å; N358-L502 HydrophobicContact CB-CB 4.24Å; N358-L502 HydrophobicContact CB-CD1 3.92Å; N358-H527 PolarHBondContact ND2-O 3.07Å; N358-T529 VanDerWaalsContact CG-OG1 3.22Å; N358-T529 PolarHBondContact ND2-OG1 2.7Å; N358-T529 WeakPolarHBondContact OD1-CB 3.39Å; N358-T529 PolarHBondContact OD1-OG1 2.98Å
359T98.4Very high92.7Very high5 Ų538.7 Ų38.73%0.03120%0.203CC..  trans-75.8114.9-173.4-51.90000112D334 A338 W341 S356 L357 F362 L502D334-T359 VanDerWaalsContact C-OG1 3.26Å; D334-T359 WeakPolarHBondContact CA-OG1 3.37Å; D334-T359 PolarHBondContact N-OG1 3.32Å; D334-T359 WeakPolarHBondContact O-CB 3.18Å; D334-T359 PolarHBondContact O-OG1 3.38Å; A338-T359 HydrophobicContact CB-CG2 4.16Å; W341-T359 PolarHBondContact NE1-O 3.12Å; S356-T359 WeakPolarHBondContact CB-O 3.17Å; S356-T359 PolarHBondContact OG-O 3.25Å; L357-T359 PolarHBondContact O-N 3.01Å; T359-F362 HydrophobicContact CG2-CE2 4.16Å; T359-L502 WeakPolarHBondContact OG1-CD1 3.42Å
360P97.4Very high91.7Very high2 Ų235.4 Ų35.41%0.01319%0.192CC..  trans-76.5169.4175.435-37.2000111.5N358 F362 M493 M506 M510N358-P360 VanDerWaalsContact O-CD 3.27Å; N358-P360 WeakPolarHBondContact O-CD 3.31Å; P360-F362 HydrophobicContact CG-CD1 4.41Å; P360-F362 HydrophobicContact CG-CE1 3.7Å; P360-F362 HydrophobicContact CG-CE2 3.84Å; P360-F362 HydrophobicContact CG-CZ 3.38Å; P360-F362 PolarHBondContact O-N 3.2Å; P360-F362 VanDerWaalsContact O-N 3.17Å; P360-M493 HydrophobicContact CB-CE 4.2Å; P360-M506 HydrophobicContact CG-CB 3.88Å; P360-M510 HydrophobicContact CB-SD 3.72Å
361L95.3Very high90.5Very high17 Ų1735.7 Ų35.79%0.08920%0.198CC..  trans-73.6105171.6177.264.9000110.3W341 I487 M510 L513 V514W341-L361 HydrophobicContact CB-CD1 3.76Å; W341-L361 HydrophobicContact CD2-CB 4.26Å; W341-L361 HydrophobicContact CD2-CD1 4.34Å; W341-L361 HydrophobicContact CG-CB 4.3Å; W341-L361 HydrophobicContact CG-CD1 3.99Å; L361-I487 HydrophobicContact CD1-CD1 4.06Å; L361-I487 HydrophobicContact CD2-CD1 3.8Å; L361-M510 HydrophobicContact CB-CE 3.78Å; L361-M510 HydrophobicContact CB-CG 4.3Å; L361-M510 HydrophobicContact CB-SD 4.3Å; L361-L513 HydrophobicContact CD2-CB 4.01Å; L361-L513 HydrophobicContact CD2-CD1 4.28Å; L361-V514 HydrophobicContact CD2-CG2 3.59Å
362F87.9Confident89.3Confident104 Ų10441 Ų4146%0.45622%0.223SC..PPolyproline II helixtrans-83.7122.4170.7-63.2-64.9000110.9R345 T359 P360 L502 M506R345-F362 PolarHBondContact NH1-O 3.28Å; T359-F362 HydrophobicContact CG2-CE2 4.16Å; P360-F362 HydrophobicContact CG-CD1 4.41Å; P360-F362 HydrophobicContact CG-CE1 3.7Å; P360-F362 HydrophobicContact CG-CE2 3.84Å; P360-F362 HydrophobicContact CG-CZ 3.38Å; P360-F362 PolarHBondContact O-N 3.2Å; P360-F362 VanDerWaalsContact O-N 3.17Å; F362-L502 HydrophobicContact CZ-CD2 4.49Å; F362-M506 HydrophobicContact CE1-CE 3.65Å; F362-M506 HydrophobicContact CZ-CE 3.61Å
363S82.6Confident88Confident58 Ų5839.6 Ų39.641%0.40622%0.22SC..PPolyproline II helixtrans-86.9132.8173.4-71.80000111.4R345 D365 L513R345-S363 PolarHBondContact NH2-OG 2.93Å; R345-S363 VanDerWaalsContact NH2-OG 3.08Å; S363-D365 PolarHBondContact O-N 3.35Å; S363-L513 WeakPolarHBondContact OG-CD1 3.33Å
364P84Confident86.6Confident25 Ų2540.8 Ų40.816%0.16223%0.226CC..PPolyproline II helixtrans-64.6134175.430.7-36.8000109.2P366 M479P364-P366 WeakPolarHBondContact O-CD 3.46Å; P364-M479 HydrophobicContact CB-CB 3.95Å; P364-M479 HydrophobicContact CB-CE 4.49Å; P364-M479 HydrophobicContact CG-CB 4.02Å
365D85Confident85.3Confident37 Ų3748.1 Ų48.120%0.19826%0.258CS..  trans-94110.3174.3-174.4-23.3000108.4S363 S367 K368 K373 W476S363-D365 PolarHBondContact O-N 3.35Å; D365-S367 PolarHBondContact O-N 3.27Å; D365-S367 VanDerWaalsContact O-N 3.16Å; D365-S367 WeakPolarHBondContact OD1-CB 3.48Å; D365-S367 PolarHBondContact OD1-N 2.58Å; D365-S367 PolarHBondContact OD1-OG 3.12Å; D365-K368 HydrophobicContact CB-CG 4.31Å; D365-K368 PolarHBondContact O-N 2.63Å; D365-K368 WeakPolarHBondContact OD2-CE 3.46Å; D365-K373 WeakPolarHBondContact OD2-CE 3.48Å; D365-K373 IonicContact OD2-NZ 3.89Å; D365-K373 PolarHBondContact OD2-NZ 3.32Å; D365-W476 PolarHBondContact O-NE1 2.88Å
366P85.6Confident84Confident102 Ų10251.8 Ų51.866%0.66229%0.288SS*.THydrogen-bonded Turntrans-67.4-16-176.227.9-34.6000112.9P364P364-P366 WeakPolarHBondContact O-CD 3.46Å
367S84.9Confident83.1Confident96 Ų9655.7 Ų55.767%0.67131%0.309SS*.THydrogen-bonded Turntrans-82.3-22.4-179.772.10000113.8D365D365-S367 PolarHBondContact O-N 3.27Å; D365-S367 VanDerWaalsContact O-N 3.16Å; D365-S367 WeakPolarHBondContact OD1-CB 3.48Å; D365-S367 PolarHBondContact OD1-N 2.58Å; D365-S367 PolarHBondContact OD1-OG 3.12Å
368K82.8Confident82.4Confident83 Ų8360 Ų6036%0.36134%0.337SS..SBendtrans-156.7142.7-174.655-173.3153.4-175.20113.3D365 W476D365-K368 HydrophobicContact CB-CG 4.31Å; D365-K368 PolarHBondContact O-N 2.63Å; D365-K368 WeakPolarHBondContact OD2-CE 3.46Å; K368-W476 PolarHBondContact O-NE1 3.37Å
369P79.1Confident81.7Confident17 Ų1761.1 Ų61.111%0.1135%0.347CS..  trans-69.1152.3178.329.3-34.7000112S371 E372 W476P369-S371 PolarHBondContact O-N 2.91Å; P369-S371 VanDerWaalsContact O-N 3.13Å; P369-E372 HydrophobicContact CG-CG 4.22Å; P369-E372 PolarHBondContact O-N 3.46Å; P369-E372 VanDerWaalsContact O-N 3.13Å; P369-W476 HydrophobicContact CB-CD2 4.15Å; P369-W476 HydrophobicContact CB-CE3 4.35Å; P369-W476 HydrophobicContact CB-CG 4.37Å
370P75.3Confident81.2Confident40 Ų4061.5 Ų61.526%0.2635%0.348SS..Hα-helixtrans-56.7-31.7179.9-25.633.8000113.6E372 K373 L374 W476P370-E372 PolarHBondContact O-N 3.31Å; P370-E372 VanDerWaalsContact O-N 3.12Å; P370-K373 PolarHBondContact O-N 3.22Å; P370-L374 WeakPolarHBondContact O-CG 3.44Å; P370-L374 PolarHBondContact O-N 3.41Å; P370-W476 HydrophobicContact CG-CB 4.21Å
371S72.7Confident80.9Confident36 Ų3662.9 Ų62.925%0.25236%0.355SS..Hα-helixtrans-57.5-26.9179.552.10000113.7P369 K375P369-S371 PolarHBondContact O-N 2.91Å; P369-S371 VanDerWaalsContact O-N 3.13Å; S371-K375 VanDerWaalsContact O-CG 3.29Å; S371-K375 WeakPolarHBondContact O-CG 3.25Å; S371-K375 PolarHBondContact O-N 2.93Å
372E73.8Confident80.8Confident114 Ų11463 Ų6353%0.53336%0.355SS..Hα-helixtrans-77.8-37.1175.3-70.8179.6-14900112.3P369 P370P369-E372 HydrophobicContact CG-CG 4.22Å; P369-E372 PolarHBondContact O-N 3.46Å; P369-E372 VanDerWaalsContact O-N 3.13Å; P370-E372 PolarHBondContact O-N 3.31Å; P370-E372 VanDerWaalsContact O-N 3.12Å
373K70.2Confident81.1Confident92 Ų9258.9 Ų58.940%0.434%0.337SS..Hα-helixtrans-70-40.4174.3-70.3-173.7-178.5177.90111.7D365 P370 K375 A376D365-K373 WeakPolarHBondContact OD2-CE 3.48Å; D365-K373 IonicContact OD2-NZ 3.89Å; D365-K373 PolarHBondContact OD2-NZ 3.32Å; P370-K373 PolarHBondContact O-N 3.22Å; K373-K375 VanDerWaalsContact C-N 3.29Å; K373-K375 PolarHBondContact O-N 2.82Å; K373-A376 WeakPolarHBondContact O-CB 3.35Å; K373-A376 PolarHBondContact O-N 3.46Å
374L70.1Confident81.6Confident26 Ų2658.6 Ų58.614%0.13633%0.331CS..Hα-helixtrans-62.3-35.8179.2-70170.2000112P370 A376 L377 F380P370-L374 WeakPolarHBondContact O-CG 3.44Å; P370-L374 PolarHBondContact O-N 3.41Å; L374-A376 PolarHBondContact O-N 2.94Å; L374-L377 PolarHBondContact O-N 3.17Å; L374-F380 HydrophobicContact CD2-CB 3.84Å; L374-F380 HydrophobicContact CD2-CD1 3.73Å; L374-F380 HydrophobicContact CD2-CD2 4.27Å; L374-F380 HydrophobicContact CD2-CE1 4.36Å; L374-F380 HydrophobicContact CD2-CG 3.67Å
375K71.1Confident82.1Confident153 Ų15358.8 Ų58.867%0.66533%0.328SS*.THydrogen-bonded Turntrans-61.9-25.2173.2-76.2173.7-176.7-177.90113.7S371 K373S371-K375 VanDerWaalsContact O-CG 3.29Å; S371-K375 WeakPolarHBondContact O-CG 3.25Å; S371-K375 PolarHBondContact O-N 2.93Å; K373-K375 VanDerWaalsContact C-N 3.29Å; K373-K375 PolarHBondContact O-N 2.82Å
376A71.7Confident82.7Confident77 Ų7757 Ų5764%0.63632%0.319SS*.THydrogen-bonded Turntrans-85.4-10.8-179.500000113.2K373 L374K373-A376 WeakPolarHBondContact O-CB 3.35Å; K373-A376 PolarHBondContact O-N 3.46Å; L374-A376 PolarHBondContact O-N 2.94Å
377L79.8Confident83.1Confident82 Ų8255.2 Ų55.243%0.42930%0.302SS..  trans-110.1108.6-177.9-64.3176.6000110.3L374 A379 F380L374-L377 PolarHBondContact O-N 3.17Å; L377-A379 PolarHBondContact O-N 3.13Å; L377-A379 VanDerWaalsContact O-N 3.16Å; L377-F380 HydrophobicContact CB-CD2 3.67Å; L377-F380 HydrophobicContact CB-CE2 4.48Å; L377-F380 HydrophobicContact CD1-CD2 3.74Å; L377-F380 HydrophobicContact CD1-CE2 3.85Å; L377-F380 HydrophobicContact CG-CD2 4.38Å; L377-F380 PolarHBondContact O-N 3.45Å
378P84.6Confident83.7Confident91 Ų9157.7 Ų57.759%0.59130%0.3SS*.G310 helixtrans-54.4-39.1-176.7-28.735.6000113.8F380 D381 S423P378-F380 PolarHBondContact O-N 2.84Å; P378-F380 VanDerWaalsContact O-N 3.07Å; P378-D381 WeakPolarHBondContact O-CB 3.38Å; P378-D381 PolarHBondContact O-N 3.36Å; P378-D381 VanDerWaalsContact O-N 3.08Å; P378-S423 VanDerWaalsContact C-OG 3.27Å; P378-S423 VanDerWaalsContact O-CA 3.27Å; P378-S423 WeakPolarHBondContact O-CA 3.3Å; P378-S423 PolarHBondContact O-OG 3.13Å
379A84.6Confident84.4Confident27 Ų2756.9 Ų56.922%0.22330%0.304CS..G310 helixtrans-62.7-16.5-178.200000114.3L377 Y382 T422 S423L377-A379 PolarHBondContact O-N 3.13Å; L377-A379 VanDerWaalsContact O-N 3.16Å; A379-Y382 VanDerWaalsContact O-CD1 3.32Å; A379-Y382 WeakPolarHBondContact O-CD1 3.36Å; A379-Y382 WeakPolarHBondContact O-CE1 3.24Å; A379-T422 VanDerWaalsContact O-CB 3.32Å; A379-T422 WeakPolarHBondContact O-CB 3.36Å; A379-T422 PolarHBondContact O-OG1 3.2Å; A379-T422 VanDerWaalsContact O-OG1 3.07Å; A379-S423 PolarHBondContact N-OG 2.81Å
380F86.4Confident85.3Confident13 Ų1357.9 Ų57.96%0.05732%0.317CS..G310 helixtrans-98.54.8179.1-73-79.8000113.6L374 L377 P378 Y382 Q383 V501 L502 M506L374-F380 HydrophobicContact CD2-CB 3.84Å; L374-F380 HydrophobicContact CD2-CD1 3.73Å; L374-F380 HydrophobicContact CD2-CD2 4.27Å; L374-F380 HydrophobicContact CD2-CE1 4.36Å; L374-F380 HydrophobicContact CD2-CG 3.67Å; L377-F380 HydrophobicContact CB-CD2 3.67Å; L377-F380 HydrophobicContact CB-CE2 4.48Å; L377-F380 HydrophobicContact CD1-CD2 3.74Å; L377-F380 HydrophobicContact CD1-CE2 3.85Å; L377-F380 HydrophobicContact CG-CD2 4.38Å; L377-F380 PolarHBondContact O-N 3.45Å; P378-F380 PolarHBondContact O-N 2.84Å; P378-F380 VanDerWaalsContact O-N 3.07Å; F380-Y382 HydrophobicContact CD1-CE1 4.23Å; F380-Y382 PolarHBondContact O-N 2.96Å; F380-Q383 HydrophobicContact CD1-CG 4.26Å; F380-Q383 VanDerWaalsContact CD1-NE2 3.3Å; F380-Q383 WeakPolarHBondContact O-CB 3.24Å; F380-Q383 PolarHBondContact O-N 2.81Å; F380-V501 HydrophobicContact CD1-CG1 4.26Å; F380-V501 HydrophobicContact CE1-CG1 3.69Å; F380-V501 HydrophobicContact CE2-CG1 4.45Å; F380-V501 HydrophobicContact CZ-CG1 3.8Å; F380-L502 HydrophobicContact CZ-CD2 4.46Å; F380-M506 HydrophobicContact CE2-CE 3.85Å; F380-M506 HydrophobicContact CZ-CE 3.83Å
381D91.3Very high86.4Confident31 Ų3158.4 Ų58.417%0.16632%0.32CS..Hα-helixtrans-60.8-30.1-177.8-170.849000113P378 Q383 N384 Y385 G424 V425 C426P378-D381 WeakPolarHBondContact O-CB 3.38Å; P378-D381 PolarHBondContact O-N 3.36Å; P378-D381 VanDerWaalsContact O-N 3.08Å; D381-Q383 PolarHBondContact O-N 3.47Å; D381-N384 WeakPolarHBondContact O-CB 3.4Å; D381-N384 PolarHBondContact O-N 2.86Å; D381-N384 PolarHBondContact OD1-ND2 2.81Å; D381-Y385 PolarHBondContact O-N 3.13Å; D381-G424 VanDerWaalsContact OD2-C 3.23Å; D381-G424 VanDerWaalsContact OD2-CA 3.26Å; D381-G424 WeakPolarHBondContact OD2-CA 3.41Å; D381-G424 PolarHBondContact OD2-N 3.29Å; D381-V425 PolarHBondContact OD2-N 2.89Å; D381-C426 PolarHBondContact OD1-SG 3.29Å; D381-C426 PolarHBondContact OD2-N 3.1Å
382Y93.9Very high87.6Confident20 Ų2056.7 Ų56.78%0.07831%0.308CS..Hα-helixtrans-56.4-31.5171.681.8-79000113.5A379 F380 N384 Y385 F386 T422 Y469 V501A379-Y382 VanDerWaalsContact O-CD1 3.32Å; A379-Y382 WeakPolarHBondContact O-CD1 3.36Å; A379-Y382 WeakPolarHBondContact O-CE1 3.24Å; F380-Y382 HydrophobicContact CD1-CE1 4.23Å; F380-Y382 PolarHBondContact O-N 2.96Å; Y382-N384 VanDerWaalsContact C-N 3.29Å; Y382-N384 PolarHBondContact O-N 2.72Å; Y382-Y385 WeakPolarHBondContact O-CB 3.31Å; Y382-Y385 PolarHBondContact O-N 3.4Å; Y382-F386 AromaticContact CD2-CD2 3.97Å; Y382-F386 HydrophobicContact CD2-CD2 3.97Å; Y382-F386 AromaticContact CD2-CE2 3.5Å; Y382-F386 HydrophobicContact CD2-CE2 3.5Å; Y382-F386 AromaticContact CD2-CZ 3.84Å; Y382-F386 HydrophobicContact CD2-CZ 3.84Å; Y382-F386 HydrophobicContact CE2-CD2 4.23Å; Y382-F386 AromaticContact CE2-CE2 3.77Å; Y382-F386 HydrophobicContact CE2-CE2 3.77Å; Y382-F386 HydrophobicContact CE2-CZ 4.47Å; Y382-F386 WeakPolarHBondContact O-CD1 3.5Å; Y382-F386 WeakPolarHBondContact O-CG 3.42Å; Y382-F386 PolarHBondContact O-N 3.11Å; Y382-T422 HydrophobicContact CD1-CG2 4.17Å; Y382-T422 HydrophobicContact CG-CG2 4.46Å; Y382-T422 PolarHBondContact N-O 2.91Å; Y382-T422 VanDerWaalsContact N-O 3.17Å; Y382-Y469 AromaticContact CE2-CE1 3.93Å; Y382-Y469 HydrophobicContact CE2-CE1 3.93Å; Y382-V501 HydrophobicContact CE1-CG1 4.27Å
383Q94Very high88.8Confident17 Ų1751.8 Ų51.88%0.07929%0.285CS..Hα-helixtrans-69.4-29.9177.5-59.4-164.30.600111.9F380 D381 F386 Q387 Y469F380-Q383 HydrophobicContact CD1-CG 4.26Å; F380-Q383 VanDerWaalsContact CD1-NE2 3.3Å; F380-Q383 WeakPolarHBondContact O-CB 3.24Å; F380-Q383 PolarHBondContact O-N 2.81Å; D381-Q383 PolarHBondContact O-N 3.47Å; Q383-F386 PolarHBondContact O-N 3.29Å; Q383-Q387 WeakPolarHBondContact O-CG 3.42Å; Q383-Q387 PolarHBondContact O-NE2 2.77Å; Q383-Y469 HydrophobicContact CB-CD1 4.24Å; Q383-Y469 HydrophobicContact CG-CD1 3.77Å; Q383-Y469 HydrophobicContact CG-CE1 3.85Å
384N91.9Very high90.2Very high52 Ų5250.4 Ų50.428%0.27829%0.291SS..Hα-helixtrans-67.5-42.4172.1-63.4-43.7000110.4D381 Y382 F386 Q387D381-N384 WeakPolarHBondContact O-CB 3.4Å; D381-N384 PolarHBondContact O-N 2.86Å; D381-N384 PolarHBondContact OD1-ND2 2.81Å; Y382-N384 VanDerWaalsContact C-N 3.29Å; Y382-N384 PolarHBondContact O-N 2.72Å; N384-F386 PolarHBondContact O-N 2.98Å; N384-Q387 WeakPolarHBondContact O-CB 3.36Å; N384-Q387 WeakPolarHBondContact O-CG 3.42Å; N384-Q387 PolarHBondContact O-N 3.29Å; N384-Q387 VanDerWaalsContact O-N 3.11Å
385Y95.3Very high91.5Very high28 Ų2851 Ų5111%0.1129%0.292CS..Hα-helixtrans-59.5-36.9175.4176.3-108.6000112D381 Y382 Q387 V391 A392 E395 V425 C426 L431D381-Y385 PolarHBondContact O-N 3.13Å; Y382-Y385 WeakPolarHBondContact O-CB 3.31Å; Y382-Y385 PolarHBondContact O-N 3.4Å; Y385-Q387 VanDerWaalsContact C-N 3.25Å; Y385-Q387 PolarHBondContact O-N 2.96Å; Y385-V391 HydrophobicContact CD2-CG1 4.32Å; Y385-V391 HydrophobicContact CE2-CG1 3.51Å; Y385-A392 HydrophobicContact CD1-CB 4.28Å; Y385-A392 HydrophobicContact CE1-CB 3.94Å; Y385-E395 WeakPolarHBondContact CE1-OE2 3.34Å; Y385-E395 PolarHBondContact OH-OE2 2.79Å; Y385-V425 HydrophobicContact CD1-CG1 3.78Å; Y385-V425 HydrophobicContact CD2-CG1 4.18Å; Y385-V425 HydrophobicContact CE1-CG1 4.49Å; Y385-V425 HydrophobicContact CG-CG1 3.6Å; Y385-C426 PolarHBondContact N-SG 3.05Å; Y385-L431 HydrophobicContact CD1-CB 4.48Å; Y385-L431 HydrophobicContact CE1-CB 4.27Å
386F97.1Very high92.8Very high1 Ų143.7 Ų43.70%0.00426%0.261CS..THydrogen-bonded Turntrans-70.2-13.9177.4-68.8-5000114.8F266 Y382 Q383 N384 K388 A392 L431 L466 Y469 R470F266-F386 HydrophobicContact CD1-CE2 4.28Å; F266-F386 HydrophobicContact CE1-CD2 4.48Å; F266-F386 AromaticContact CE1-CE2 3.49Å; F266-F386 HydrophobicContact CE1-CE2 3.49Å; F266-F386 VanDerWaalsContact CE1-CE2 3.49Å; F266-F386 AromaticContact CE1-CZ 3.83Å; F266-F386 HydrophobicContact CE1-CZ 3.83Å; F266-F386 AromaticContact CZ-CE2 3.81Å; F266-F386 HydrophobicContact CZ-CE2 3.81Å; F266-F386 HydrophobicContact CZ-CZ 4.09Å; Y382-F386 AromaticContact CD2-CD2 3.97Å; Y382-F386 HydrophobicContact CD2-CD2 3.97Å; Y382-F386 AromaticContact CD2-CE2 3.5Å; Y382-F386 HydrophobicContact CD2-CE2 3.5Å; Y382-F386 AromaticContact CD2-CZ 3.84Å; Y382-F386 HydrophobicContact CD2-CZ 3.84Å; Y382-F386 HydrophobicContact CE2-CD2 4.23Å; Y382-F386 AromaticContact CE2-CE2 3.77Å; Y382-F386 HydrophobicContact CE2-CE2 3.77Å; Y382-F386 HydrophobicContact CE2-CZ 4.47Å; Y382-F386 WeakPolarHBondContact O-CD1 3.5Å; Y382-F386 WeakPolarHBondContact O-CG 3.42Å; Y382-F386 PolarHBondContact O-N 3.11Å; Q383-F386 PolarHBondContact O-N 3.29Å; N384-F386 PolarHBondContact O-N 2.98Å; F386-K388 PolarHBondContact O-N 3.49Å; F386-A392 HydrophobicContact CD1-CB 3.55Å; F386-A392 HydrophobicContact CE1-CB 4.01Å; F386-A392 HydrophobicContact CG-CB 4.43Å; F386-L431 HydrophobicContact CE1-CD2 4.08Å; F386-L431 HydrophobicContact CZ-CD2 3.94Å; F386-L466 HydrophobicContact CB-CD2 3.83Å; F386-L466 HydrophobicContact CD1-CD2 3.73Å; F386-L466 HydrophobicContact CD2-CD2 3.63Å; F386-L466 HydrophobicContact CE1-CD2 4.12Å; F386-L466 HydrophobicContact CE2-CD2 4.02Å; F386-L466 HydrophobicContact CG-CD2 3.46Å; F386-L466 VanDerWaalsContact CG-CD2 3.46Å; F386-L466 HydrophobicContact CZ-CD2 4.25Å; F386-Y469 HydrophobicContact CD2-CD1 4.28Å; F386-Y469 AromaticContact CD2-CD2 3.79Å; F386-Y469 HydrophobicContact CD2-CD2 3.79Å; F386-Y469 HydrophobicContact CD2-CE1 4.36Å; F386-Y469 AromaticContact CD2-CE2 3.83Å; F386-Y469 HydrophobicContact CD2-CE2 3.83Å; F386-Y469 HydrophobicContact CD2-CG 4.02Å; F386-Y469 HydrophobicContact CE2-CD2 4.43Å; F386-Y469 HydrophobicContact CE2-CE2 4.01Å; F386-R470 PolarHBondContact O-NE 3.48Å; F386-R470 PolarHBondContact O-NH2 2.85Å; F386-R470 VanDerWaalsContact O-NH2 3.1Å
387Q95.1Very high94.1Very high64 Ų6443.9 Ų43.930%0.29925%0.249SC..THydrogen-bonded Turntrans-67.2-38.4-174.2-64.5-56.1-64.500113.4Q383 N384 Y385 P389 Y469Q383-Q387 WeakPolarHBondContact O-CG 3.42Å; Q383-Q387 PolarHBondContact O-NE2 2.77Å; N384-Q387 WeakPolarHBondContact O-CB 3.36Å; N384-Q387 WeakPolarHBondContact O-CG 3.42Å; N384-Q387 PolarHBondContact O-N 3.29Å; N384-Q387 VanDerWaalsContact O-N 3.11Å; Y385-Q387 VanDerWaalsContact C-N 3.25Å; Y385-Q387 PolarHBondContact O-N 2.96Å; Q387-P389 VanDerWaalsContact O-CD 3.22Å; Q387-P389 WeakPolarHBondContact O-CD 3.41Å; Q387-Y469 PolarHBondContact NE2-O 2.95Å
388K96.8Very high95Very high147 Ų14746.2 Ų46.264%0.63926%0.262SS*.SBendtrans-78.9114.4-174.6-173.9170.9167.7-173.20110.3F386 G390 V391F386-K388 PolarHBondContact O-N 3.49Å; K388-G390 PolarHBondContact O-N 3.01Å; K388-V391 HydrophobicContact CB-CB 4.44Å; K388-V391 HydrophobicContact CB-CG2 3.99Å; K388-V391 HydrophobicContact CD-CG2 3.68Å; K388-V391 HydrophobicContact CG-CG2 3.72Å; K388-V391 PolarHBondContact O-N 2.84Å
389P98.3Very high95.6Very high66 Ų6644.6 Ų44.643%0.42925%0.248SC..THydrogen-bonded Turntrans-59136.7-179.7-24.336.3000112.3I304 Q387 V391I304-P389 HydrophobicContact CD1-CG 4.14Å; Q387-P389 VanDerWaalsContact O-CD 3.22Å; Q387-P389 WeakPolarHBondContact O-CD 3.41Å; P389-V391 VanDerWaalsContact C-N 3.32Å; P389-V391 PolarHBondContact O-N 2.93Å
390G97.8Very high96.3Very high39 Ų3944.2 Ų44.240%0.40224%0.242SC..THydrogen-bonded Turntrans87.6-17.3178.500000114.9K388 E393 A394K388-G390 PolarHBondContact O-N 3.01Å; G390-E393 WeakPolarHBondContact CA-OE2 3.43Å; G390-E393 VanDerWaalsContact N-CD 3.25Å; G390-E393 PolarHBondContact N-OE1 3.32Å; G390-E393 PolarHBondContact N-OE2 2.92Å; G390-A394 VanDerWaalsContact O-CB 3.23Å; G390-A394 WeakPolarHBondContact O-CB 3.35Å; G390-A394 PolarHBondContact O-N 3.36Å
391V98.4Very high96.8Very high51 Ų5147.5 Ų47.531%0.30926%0.258SS..Hα-helixtrans-77.5-59-178.2175.70000110.9Y385 K388 P389 E393 A394 E395Y385-V391 HydrophobicContact CD2-CG1 4.32Å; Y385-V391 HydrophobicContact CE2-CG1 3.51Å; K388-V391 HydrophobicContact CB-CB 4.44Å; K388-V391 HydrophobicContact CB-CG2 3.99Å; K388-V391 HydrophobicContact CD-CG2 3.68Å; K388-V391 HydrophobicContact CG-CG2 3.72Å; K388-V391 PolarHBondContact O-N 2.84Å; P389-V391 VanDerWaalsContact C-N 3.32Å; P389-V391 PolarHBondContact O-N 2.93Å; V391-E393 VanDerWaalsContact C-N 3.33Å; V391-A394 PolarHBondContact O-N 3.03Å; V391-E395 PolarHBondContact O-N 3.42Å
392A98.4Very high97.1Very high0 Ų047.6 Ų47.60%026%0.255CS..Hα-helixtrans-69-35178.600000111.3Y385 F386 A394 E395 L396 L466Y385-A392 HydrophobicContact CD1-CB 4.28Å; Y385-A392 HydrophobicContact CE1-CB 3.94Å; F386-A392 HydrophobicContact CD1-CB 3.55Å; F386-A392 HydrophobicContact CE1-CB 4.01Å; F386-A392 HydrophobicContact CG-CB 4.43Å; A392-A394 VanDerWaalsContact C-N 3.33Å; A392-A394 PolarHBondContact O-N 3.36Å; A392-E395 PolarHBondContact O-N 3.32Å; A392-L396 WeakPolarHBondContact O-CB 3.32Å; A392-L396 WeakPolarHBondContact O-CG 3.47Å; A392-L396 PolarHBondContact O-N 3.27Å; A392-L466 HydrophobicContact CB-CD1 3.73Å; A392-L466 HydrophobicContact CB-CD2 3.89Å
393E98.7Very high97.3Very high11 Ų1146.7 Ų46.75%0.05125%0.252CS..Hα-helixtrans-52.6-51.6171.3-69.186.8150.400110.9G390 V391 E395 L396 E397 R463 L466 R470G390-E393 WeakPolarHBondContact CA-OE2 3.43Å; G390-E393 VanDerWaalsContact N-CD 3.25Å; G390-E393 PolarHBondContact N-OE1 3.32Å; G390-E393 PolarHBondContact N-OE2 2.92Å; V391-E393 VanDerWaalsContact C-N 3.33Å; E393-E395 VanDerWaalsContact C-N 3.33Å; E393-E395 PolarHBondContact O-N 3.34Å; E393-L396 PolarHBondContact O-N 3.25Å; E393-E397 WeakPolarHBondContact O-CB 3.35Å; E393-E397 VanDerWaalsContact O-CG 3.27Å; E393-E397 WeakPolarHBondContact O-CG 3.42Å; E393-E397 PolarHBondContact O-N 3.48Å; E393-R463 HydrophobicContact CG-CB 4.18Å; E393-L466 HydrophobicContact CB-CD1 4.39Å; E393-L466 VanDerWaalsContact CD-CD1 3.49Å; E393-L466 HydrophobicContact CG-CD1 3.67Å; E393-L466 WeakPolarHBondContact OE2-CD1 3.36Å; E393-R470 VanDerWaalsContact CD-NH2 3.26Å; E393-R470 IonicContact OE1-CZ 3.57Å; E393-R470 VanDerWaalsContact OE1-CZ 3.28Å; E393-R470 IonicContact OE1-NH1 3Å; E393-R470 PolarHBondContact OE1-NH1 3.26Å; E393-R470 IonicContact OE1-NH2 3.18Å; E393-R470 PolarHBondContact OE1-NH2 3.39Å; E393-R470 IonicContact OE2-CZ 2.66Å; E393-R470 IonicContact OE2-NH2 2.59Å; E393-R470 PolarHBondContact OE2-NH2 3.11Å
394A98.4Very high97.5Very high63 Ų6345.9 Ų45.952%0.52125%0.248SC..Hα-helixtrans-61.5-38.8-178.400000112.8G390 V391 A392 N398G390-A394 VanDerWaalsContact O-CB 3.23Å; G390-A394 WeakPolarHBondContact O-CB 3.35Å; G390-A394 PolarHBondContact O-N 3.36Å; V391-A394 PolarHBondContact O-N 3.03Å; A392-A394 VanDerWaalsContact C-N 3.33Å; A392-A394 PolarHBondContact O-N 3.36Å; A394-N398 VanDerWaalsContact O-CB 3.28Å; A394-N398 WeakPolarHBondContact O-CB 3.29Å; A394-N398 PolarHBondContact O-N 3.48Å
395E98.6Very high97.7Very high37 Ų3744.7 Ų44.717%0.17324%0.241CC..Hα-helixtrans-70.3-46.1177.3-176.7177.6-146.700112.4Y385 V391 A392 E393 L431 F432Y385-E395 WeakPolarHBondContact CE1-OE2 3.34Å; Y385-E395 PolarHBondContact OH-OE2 2.79Å; V391-E395 PolarHBondContact O-N 3.42Å; A392-E395 PolarHBondContact O-N 3.32Å; E393-E395 VanDerWaalsContact C-N 3.33Å; E393-E395 PolarHBondContact O-N 3.34Å; E395-L431 VanDerWaalsContact CD-N 3.34Å; E395-L431 PolarHBondContact OE1-N 3.01Å; E395-L431 PolarHBondContact OE2-N 2.75Å; E395-F432 HydrophobicContact CG-CD2 3.79Å; E395-F432 HydrophobicContact CG-CE2 4.35Å; E395-F432 HydrophobicContact CG-CG 4.36Å; E395-F432 WeakPolarHBondContact OE1-CB 3.47Å; E395-F432 PolarHBondContact OE1-N 3.1Å
396L98.4Very high97.7Very high0 Ų044.1 Ų44.10%024%0.239CC..Hα-helixtrans-73.7-33.5-174.4-61.6177.6000112.4F266 A392 E393 T403 F407 L431 F432 F462 L466F266-L396 HydrophobicContact CZ-CD1 4.01Å; A392-L396 WeakPolarHBondContact O-CB 3.32Å; A392-L396 WeakPolarHBondContact O-CG 3.47Å; A392-L396 PolarHBondContact O-N 3.27Å; E393-L396 PolarHBondContact O-N 3.25Å; L396-T403 HydrophobicContact CB-CG2 4.37Å; L396-T403 HydrophobicContact CD2-CG2 4.11Å; L396-T403 PolarHBondContact O-OG1 2.87Å; L396-F407 HydrophobicContact CD2-CE2 3.88Å; L396-F407 HydrophobicContact CD2-CZ 3.73Å; L396-L431 HydrophobicContact CD2-CD2 4.5Å; L396-F432 HydrophobicContact CD2-CE1 4.22Å; L396-F432 HydrophobicContact CD2-CE2 3.57Å; L396-F432 HydrophobicContact CD2-CZ 3.31Å; L396-F462 HydrophobicContact CB-CB 4.47Å; L396-F462 HydrophobicContact CB-CD1 3.87Å; L396-F462 HydrophobicContact CB-CD2 3.93Å; L396-F462 HydrophobicContact CB-CE1 3.98Å; L396-F462 HydrophobicContact CB-CE2 4.05Å; L396-F462 HydrophobicContact CB-CG 3.82Å; L396-F462 HydrophobicContact CB-CZ 4.08Å; L396-F462 HydrophobicContact CD1-CB 4.38Å; L396-F462 HydrophobicContact CD1-CD1 3.42Å; L396-F462 VanDerWaalsContact CD1-CD1 3.42Å; L396-F462 HydrophobicContact CD1-CE1 3.83Å; L396-F462 HydrophobicContact CD1-CG 4Å; L396-F462 HydrophobicContact CG-CD1 4.25Å; L396-F462 HydrophobicContact CG-CE1 4.41Å; L396-L466 HydrophobicContact CD1-CD1 4.3Å; L396-L466 HydrophobicContact CD1-CD2 4.26Å
397E98.4Very high97.6Very high82 Ų8244.9 Ų44.938%0.38324%0.243SC..Hα-helixtrans-85.6-17.4-178.6-66.4171.9-167.900113.3E393 D399 G461 F462E393-E397 WeakPolarHBondContact O-CB 3.35Å; E393-E397 VanDerWaalsContact O-CG 3.27Å; E393-E397 WeakPolarHBondContact O-CG 3.42Å; E393-E397 PolarHBondContact O-N 3.48Å; E397-D399 VanDerWaalsContact C-N 3.25Å; E397-D399 PolarHBondContact O-N 3.06Å; E397-G461 WeakPolarHBondContact OE1-CA 3.25Å; E397-F462 HydrophobicContact CG-CB 4.31Å; E397-F462 HydrophobicContact CG-CD2 3.57Å; E397-F462 HydrophobicContact CG-CE2 4.38Å; E397-F462 HydrophobicContact CG-CG 4.37Å; E397-F462 PolarHBondContact OE1-N 3.03Å
398N97.9Very high97.6Very high131 Ų13141.9 Ų41.970%0.70123%0.229SC*.THydrogen-bonded Turntrans-58.4-37.7-178.4178.681.7000112.6A394A394-N398 VanDerWaalsContact O-CB 3.28Å; A394-N398 WeakPolarHBondContact O-CB 3.29Å; A394-N398 PolarHBondContact O-N 3.48Å
399D98.1Very high97.4Very high56 Ų5636.3 Ų36.330%0.29921%0.208SC..THydrogen-bonded Turntrans-148.291.3174.3-175.2-18.2000109.7E397 E401 R402 T403E397-D399 VanDerWaalsContact C-N 3.25Å; E397-D399 PolarHBondContact O-N 3.06Å; D399-E401 VanDerWaalsContact C-N 3.26Å; D399-E401 PolarHBondContact O-N 3.3Å; D399-E401 PolarHBondContact OD1-N 2.97Å; D399-R402 HydrophobicContact CB-CB 3.81Å; D399-R402 PolarHBondContact O-N 3.49Å; D399-R402 WeakPolarHBondContact OD1-CB 3.41Å; D399-R402 PolarHBondContact OD1-N 2.85Å; D399-R402 WeakPolarHBondContact OD2-CB 3.29Å; D399-T403 WeakPolarHBondContact O-CB 3.45Å; D399-T403 PolarHBondContact O-N 3.39Å; D399-T403 PolarHBondContact O-OG1 3.48Å; D399-T403 VanDerWaalsContact O-OG1 3.07Å
400L98.2Very high96.9Very high20 Ų2033.5 Ų33.511%0.10519%0.19CC..Hα-helixtrans-57.6-39.1-178.3-64.3177.3000112.5T403 F404 V454 F457 R458 F462L400-T403 WeakPolarHBondContact O-CB 3.35Å; L400-T403 PolarHBondContact O-N 3.45Å; L400-F404 HydrophobicContact CB-CE2 4.5Å; L400-F404 WeakPolarHBondContact O-CD2 3.43Å; L400-F404 PolarHBondContact O-N 3.35Å; L400-V454 HydrophobicContact CB-CB 4.47Å; L400-V454 HydrophobicContact CB-CG1 4.07Å; L400-V454 HydrophobicContact CB-CG2 4.13Å; L400-V454 HydrophobicContact CD1-CG1 4.26Å; L400-F457 HydrophobicContact CD2-CB 4.18Å; L400-R458 HydrophobicContact CD1-CB 3.96Å; L400-F462 HydrophobicContact CD2-CD2 4.35Å; L400-F462 HydrophobicContact CD2-CE2 3.58Å
401E97.8Very high96.3Very high82 Ų8232.4 Ų32.438%0.38318%0.177SC..Hα-helixtrans-65.8-46-179-167.7-176.6144.100110.1D399 F404 K405 L450 V454D399-E401 VanDerWaalsContact C-N 3.26Å; D399-E401 PolarHBondContact O-N 3.3Å; D399-E401 PolarHBondContact OD1-N 2.97Å; E401-F404 PolarHBondContact O-N 3.42Å; E401-K405 VanDerWaalsContact O-CG 3.3Å; E401-K405 WeakPolarHBondContact O-CG 3.23Å; E401-K405 PolarHBondContact O-N 3.04Å; E401-K405 WeakPolarHBondContact OE1-CE 3.3Å; E401-K405 IonicContact OE1-NZ 3.87Å; E401-K405 PolarHBondContact OE1-NZ 3.03Å; E401-L450 HydrophobicContact CG-CD1 4.3Å; E401-L450 HydrophobicContact CG-CD2 3.74Å; E401-L450 HydrophobicContact CG-CG 4.18Å; E401-V454 HydrophobicContact CB-CG2 4.23Å
402R97.4Very high95.7Very high32 Ų3236.1 Ų36.112%0.12119%0.185CC..Hα-helixtrans-60.3-45.3173.5-178.2177.6-178.8-100.21.3111.5D399 F404 K405 I406 L435 P436 Q437 I439D399-R402 HydrophobicContact CB-CB 3.81Å; D399-R402 PolarHBondContact O-N 3.49Å; D399-R402 WeakPolarHBondContact OD1-CB 3.41Å; D399-R402 PolarHBondContact OD1-N 2.85Å; D399-R402 WeakPolarHBondContact OD2-CB 3.29Å; R402-F404 PolarHBondContact O-N 2.96Å; R402-K405 PolarHBondContact O-N 2.83Å; R402-I406 HydrophobicContact CG-CD1 3.76Å; R402-I406 HydrophobicContact CG-CG1 4.4Å; R402-I406 VanDerWaalsContact O-CG1 3.26Å; R402-I406 WeakPolarHBondContact O-CG1 3.43Å; R402-I406 PolarHBondContact O-N 2.9Å; R402-L435 PolarHBondContact NH2-O 2.85Å; R402-P436 PolarHBondContact NE-O 3.29Å; R402-P436 PolarHBondContact NH2-O 3.03Å; R402-Q437 VanDerWaalsContact CD-O 3.29Å; R402-Q437 WeakPolarHBondContact CD-O 3.32Å; R402-Q437 PolarHBondContact NE-O 3.44Å; R402-I439 HydrophobicContact CG-CG1 4.26Å
403T98.1Very high95.2Very high1 Ų138.5 Ų38.51%0.00620%0.196CC..Hα-helixtrans-54.6-51.4178.1-68.50000111.7L396 D399 L400 I406 F407 F432 F462L396-T403 HydrophobicContact CB-CG2 4.37Å; L396-T403 HydrophobicContact CD2-CG2 4.11Å; L396-T403 PolarHBondContact O-OG1 2.87Å; D399-T403 WeakPolarHBondContact O-CB 3.45Å; D399-T403 PolarHBondContact O-N 3.39Å; D399-T403 PolarHBondContact O-OG1 3.48Å; D399-T403 VanDerWaalsContact O-OG1 3.07Å; L400-T403 WeakPolarHBondContact O-CB 3.35Å; L400-T403 PolarHBondContact O-N 3.45Å; T403-I406 PolarHBondContact O-N 2.92Å; T403-F407 HydrophobicContact CG2-CD2 3.64Å; T403-F407 HydrophobicContact CG2-CE2 3.46Å; T403-F407 VanDerWaalsContact CG2-CE2 3.46Å; T403-F407 WeakPolarHBondContact O-CD2 3.32Å; T403-F407 PolarHBondContact O-N 3.45Å; T403-F432 HydrophobicContact CG2-CE2 4.32Å; T403-F432 HydrophobicContact CG2-CZ 4.07Å; T403-F432 WeakPolarHBondContact OG1-CE2 3.43Å; T403-F462 HydrophobicContact CG2-CE1 4.29Å; T403-F462 HydrophobicContact CG2-CE2 4.5Å; T403-F462 HydrophobicContact CG2-CZ 3.72Å
404F97.6Very high94.4Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-71.2-31.2-179.7-70.4-59.9000113.8L400 E401 R402 I406 F408 L450 Y453 V454 F457 F462L400-F404 HydrophobicContact CB-CE2 4.5Å; L400-F404 WeakPolarHBondContact O-CD2 3.43Å; L400-F404 PolarHBondContact O-N 3.35Å; E401-F404 PolarHBondContact O-N 3.42Å; R402-F404 PolarHBondContact O-N 2.96Å; F404-I406 VanDerWaalsContact C-N 3.31Å; F404-F408 HydrophobicContact CB-CD2 4.21Å; F404-F408 HydrophobicContact CB-CE2 4.41Å; F404-F408 AromaticContact CD1-CD2 4Å; F404-F408 HydrophobicContact CD1-CD2 4Å; F404-F408 AromaticContact CD1-CE2 3.41Å; F404-F408 HydrophobicContact CD1-CE2 3.41Å; F404-F408 VanDerWaalsContact CD1-CE2 3.41Å; F404-F408 AromaticContact CD1-CZ 3.95Å; F404-F408 HydrophobicContact CD1-CZ 3.95Å; F404-F408 HydrophobicContact CE1-CE2 4.08Å; F404-F408 HydrophobicContact CE1-CZ 4.29Å; F404-F408 HydrophobicContact CG-CE2 4.23Å; F404-F408 WeakPolarHBondContact O-CB 3.15Å; F404-F408 PolarHBondContact O-N 3.49Å; F404-L450 HydrophobicContact CB-CD1 3.65Å; F404-Y453 HydrophobicContact CD1-CG 4.49Å; F404-Y453 HydrophobicContact CE1-CD1 4.46Å; F404-V454 HydrophobicContact CD2-CG2 3.91Å; F404-V454 HydrophobicContact CE2-CG2 4.5Å; F404-F457 HydrophobicContact CE1-CD2 4.22Å; F404-F457 HydrophobicContact CE1-CE2 4.12Å; F404-F457 HydrophobicContact CE1-CZ 4.42Å; F404-F457 HydrophobicContact CE2-CB 4.05Å; F404-F457 HydrophobicContact CE2-CD2 4.1Å; F404-F457 HydrophobicContact CE2-CG 4.12Å; F404-F457 HydrophobicContact CZ-CB 3.96Å; F404-F457 HydrophobicContact CZ-CD1 4.03Å; F404-F457 AromaticContact CZ-CD2 3.36Å; F404-F457 HydrophobicContact CZ-CD2 3.36Å; F404-F457 HydrophobicContact CZ-CE1 4.32Å; F404-F457 AromaticContact CZ-CE2 3.7Å; F404-F457 HydrophobicContact CZ-CE2 3.7Å; F404-F457 AromaticContact CZ-CG 3.51Å; F404-F457 HydrophobicContact CZ-CG 3.51Å; F404-F457 HydrophobicContact CZ-CZ 4.17Å; F404-F462 HydrophobicContact CZ-CZ 4.06Å
405K96.5Very high93.6Very high28 Ų2843.2 Ų43.212%0.12224%0.237CC..Hα-helixtrans-68.9-28.7172-70.7-177.2-170.1165.60113.1E401 R402 R417 I439 R441 L450E401-K405 VanDerWaalsContact O-CG 3.3Å; E401-K405 WeakPolarHBondContact O-CG 3.23Å; E401-K405 PolarHBondContact O-N 3.04Å; E401-K405 WeakPolarHBondContact OE1-CE 3.3Å; E401-K405 IonicContact OE1-NZ 3.87Å; E401-K405 PolarHBondContact OE1-NZ 3.03Å; R402-K405 PolarHBondContact O-N 2.83Å; K405-R417 PolarHBondContact O-NH2 2.82Å; K405-R417 VanDerWaalsContact O-NH2 3.12Å; K405-I439 HydrophobicContact CB-CB 4.15Å; K405-I439 HydrophobicContact CB-CG2 3.8Å; K405-I439 WeakPolarHBondContact CD-O 3.4Å; K405-R441 HydrophobicContact CD-CB 4.44Å; K405-L450 HydrophobicContact CD-CD2 4.33Å; K405-L450 VanDerWaalsContact CE-CD2 3.41Å; K405-L450 HydrophobicContact CG-CD1 4.27Å; K405-L450 HydrophobicContact CG-CD2 4.01Å
406I95.8Very high92.7Very high15 Ų1544.9 Ų44.98%0.07726%0.264CS..Hα-helixtrans-73.8-49.5173.3-69.8167.1000110R402 T403 F404 L420 F432 L435 I439R402-I406 HydrophobicContact CG-CD1 3.76Å; R402-I406 HydrophobicContact CG-CG1 4.4Å; R402-I406 VanDerWaalsContact O-CG1 3.26Å; R402-I406 WeakPolarHBondContact O-CG1 3.43Å; R402-I406 PolarHBondContact O-N 2.9Å; T403-I406 PolarHBondContact O-N 2.92Å; F404-I406 VanDerWaalsContact C-N 3.31Å; I406-L420 HydrophobicContact CG2-CB 4.46Å; I406-L420 HydrophobicContact CG2-CD1 4.06Å; I406-L420 HydrophobicContact CG2-CD2 4.2Å; I406-L420 HydrophobicContact CG2-CG 4.47Å; I406-F432 HydrophobicContact CB-CE1 4.24Å; I406-F432 HydrophobicContact CD1-CB 4.27Å; I406-F432 HydrophobicContact CD1-CD1 3.77Å; I406-F432 HydrophobicContact CD1-CD2 4.05Å; I406-F432 HydrophobicContact CD1-CE1 4.05Å; I406-F432 HydrophobicContact CD1-CE2 4.29Å; I406-F432 HydrophobicContact CD1-CG 3.78Å; I406-F432 HydrophobicContact CD1-CZ 4.28Å; I406-F432 HydrophobicContact CG2-CD1 3.93Å; I406-F432 HydrophobicContact CG2-CE1 3.66Å; I406-F432 HydrophobicContact CG2-CZ 4.46Å; I406-L435 HydrophobicContact CD1-CD1 3.94Å; I406-L435 HydrophobicContact CG1-CD1 4.18Å; I406-L435 HydrophobicContact CG2-CD1 3.85Å; I406-I439 HydrophobicContact CD1-CG1 4.2Å; I406-I439 HydrophobicContact CG1-CB 4.41Å; I406-I439 HydrophobicContact CG1-CD1 4.02Å; I406-I439 HydrophobicContact CG1-CG1 3.71Å; I406-I439 HydrophobicContact CG1-CG2 4.25Å
407F95.8Very high92.2Very high18 Ų1846.3 Ų46.38%0.07927%0.27CS..Hα-helixtrans-65.2-63.4-178.7-74.9-42000111.3P267 L396 T403 S409 L420 L431 F432 F462 W528P267-F407 HydrophobicContact CG-CD2 3.48Å; P267-F407 VanDerWaalsContact CG-CD2 3.48Å; P267-F407 HydrophobicContact CG-CE2 3.38Å; P267-F407 HydrophobicContact CG-CG 4.34Å; P267-F407 HydrophobicContact CG-CZ 4.19Å; L396-F407 HydrophobicContact CD2-CE2 3.88Å; L396-F407 HydrophobicContact CD2-CZ 3.73Å; T403-F407 HydrophobicContact CG2-CD2 3.64Å; T403-F407 HydrophobicContact CG2-CE2 3.46Å; T403-F407 VanDerWaalsContact CG2-CE2 3.46Å; T403-F407 WeakPolarHBondContact O-CD2 3.32Å; T403-F407 PolarHBondContact O-N 3.45Å; F407-S409 VanDerWaalsContact C-N 3.35Å; F407-S409 PolarHBondContact O-N 3.26Å; F407-L420 HydrophobicContact CD1-CD2 4.21Å; F407-L420 HydrophobicContact CE1-CD2 4.25Å; F407-L431 HydrophobicContact CE1-CD2 3.85Å; F407-L431 HydrophobicContact CZ-CD2 3.93Å; F407-F432 HydrophobicContact CE1-CE1 4.29Å; F407-F432 HydrophobicContact CE2-CZ 4.25Å; F407-F432 HydrophobicContact CZ-CE1 4.24Å; F407-F432 HydrophobicContact CZ-CZ 4.04Å; F407-F462 HydrophobicContact CE2-CE1 4.47Å; F407-W528 HydrophobicContact CB-CH2 4.35Å; F407-W528 HydrophobicContact CB-CZ2 3.71Å; F407-W528 HydrophobicContact CD1-CZ2 4.38Å; F407-W528 HydrophobicContact CG-CZ2 4.3Å; F407-W528 PolarHBondContact O-NE1 2.69Å
408F95.3Very high91.5Very high0 Ų045.1 Ų45.10%027%0.269CS..SBendtrans-79.281-171.3-57.6-35.3000112.1E268 F404 S442 M444 L445 Y453 W528 M531E268-F408 HydrophobicContact CG-CE1 4.22Å; E268-F408 HydrophobicContact CG-CZ 4.33Å; F404-F408 HydrophobicContact CB-CD2 4.21Å; F404-F408 HydrophobicContact CB-CE2 4.41Å; F404-F408 AromaticContact CD1-CD2 4Å; F404-F408 HydrophobicContact CD1-CD2 4Å; F404-F408 AromaticContact CD1-CE2 3.41Å; F404-F408 HydrophobicContact CD1-CE2 3.41Å; F404-F408 VanDerWaalsContact CD1-CE2 3.41Å; F404-F408 AromaticContact CD1-CZ 3.95Å; F404-F408 HydrophobicContact CD1-CZ 3.95Å; F404-F408 HydrophobicContact CE1-CE2 4.08Å; F404-F408 HydrophobicContact CE1-CZ 4.29Å; F404-F408 HydrophobicContact CG-CE2 4.23Å; F404-F408 WeakPolarHBondContact O-CB 3.15Å; F404-F408 PolarHBondContact O-N 3.49Å; F408-S442 WeakPolarHBondContact O-CB 3.41Å; F408-M444 HydrophobicContact CB-SD 4.15Å; F408-L445 HydrophobicContact CB-CD1 3.81Å; F408-L445 HydrophobicContact CB-CD2 4.27Å; F408-L445 HydrophobicContact CB-CG 4.01Å; F408-L445 HydrophobicContact CD2-CD1 3.95Å; F408-L445 HydrophobicContact CD2-CD2 3.97Å; F408-L445 HydrophobicContact CD2-CG 4.4Å; F408-L445 HydrophobicContact CG-CD1 4.39Å; F408-L445 HydrophobicContact CG-CD2 4.45Å; F408-Y453 HydrophobicContact CD2-CD2 4.27Å; F408-Y453 HydrophobicContact CD2-CE2 4.31Å; F408-Y453 AromaticContact CE2-CD1 3.71Å; F408-Y453 HydrophobicContact CE2-CD1 3.71Å; F408-Y453 AromaticContact CE2-CD2 3.74Å; F408-Y453 HydrophobicContact CE2-CD2 3.74Å; F408-Y453 AromaticContact CE2-CE1 3.74Å; F408-Y453 HydrophobicContact CE2-CE1 3.74Å; F408-Y453 AromaticContact CE2-CE2 3.81Å; F408-Y453 HydrophobicContact CE2-CE2 3.81Å; F408-Y453 AromaticContact CE2-CG 3.72Å; F408-Y453 HydrophobicContact CE2-CG 3.72Å; F408-Y453 AromaticContact CE2-CZ 3.79Å; F408-Y453 HydrophobicContact CZ-CD1 4.08Å; F408-Y453 AromaticContact CZ-CE1 3.84Å; F408-Y453 HydrophobicContact CZ-CE1 3.84Å; F408-W528 AromaticContact CD1-CD2 3.54Å; F408-W528 HydrophobicContact CD1-CD2 3.54Å; F408-W528 AromaticContact CD1-CE2 3.64Å; F408-W528 AromaticContact CD1-CE3 3.79Å; F408-W528 HydrophobicContact CD1-CE3 3.79Å; F408-W528 HydrophobicContact CD1-CG 4Å; F408-W528 HydrophobicContact CD1-CH2 4.19Å; F408-W528 AromaticContact CD1-CZ2 3.96Å; F408-W528 HydrophobicContact CD1-CZ2 3.96Å; F408-W528 HydrophobicContact CD1-CZ3 4.12Å; F408-W528 AromaticContact CE1-CD2 3.85Å; F408-W528 HydrophobicContact CE1-CD2 3.85Å; F408-W528 AromaticContact CE1-CE3 3.57Å; F408-W528 HydrophobicContact CE1-CE3 3.57Å; F408-W528 AromaticContact CE1-CH2 3.81Å; F408-W528 HydrophobicContact CE1-CH2 3.81Å; F408-W528 HydrophobicContact CE1-CZ2 4.06Å; F408-W528 AromaticContact CE1-CZ3 3.57Å; F408-W528 HydrophobicContact CE1-CZ3 3.57Å; F408-M531 HydrophobicContact CG-CE 4.37Å
409S91Very high90.8Very high31 Ų3143 Ų4322%0.21727%0.269CS..  trans-116.9132.9175.9-177.50000110.3F407 R417F407-S409 VanDerWaalsContact C-N 3.35Å; F407-S409 PolarHBondContact O-N 3.26Å; S409-R417 WeakPolarHBondContact OG-CD 3.31Å; S409-R417 PolarHBondContact OG-NE 2.81Å; S409-R417 VanDerWaalsContact OG-NE 3.12Å
410S89.1Confident90.4Very high6 Ų643 Ų434%0.04227%0.269CS..  trans-71.8142.4170.9174.30000110.4R412 E413 S442 D532S410-R412 PolarHBondContact O-N 3.08Å; S410-R412 WeakPolarHBondContact OG-CB 3.21Å; S410-R412 PolarHBondContact OG-N 2.89Å; S410-R412 VanDerWaalsContact OG-N 3.12Å; S410-E413 PolarHBondContact O-N 3.37Å; S410-S442 PolarHBondContact N-OG 3.47Å; S410-D532 VanDerWaalsContact CB-OD1 3.31Å; S410-D532 WeakPolarHBondContact CB-OD1 3.48Å; S410-D532 PolarHBondContact OG-OD1 2.83Å
411S85.4Confident90.1Very high17 Ų1744.7 Ų44.712%0.11928%0.282CS..G310 helixtrans-64-25.8171.558.30000112.6E413 A414 D524 G526 D532S411-E413 PolarHBondContact O-N 2.92Å; S411-A414 WeakPolarHBondContact O-CB 3.16Å; S411-A414 PolarHBondContact O-N 2.86Å; S411-D524 PolarHBondContact OG-O 3.41Å; S411-G526 PolarHBondContact OG-N 3.41Å; S411-D532 WeakPolarHBondContact CB-OD2 3.3Å; S411-D532 PolarHBondContact N-OD2 2.7Å; S411-D532 VanDerWaalsContact N-OD2 3.1Å; S411-D532 PolarHBondContact OG-OD2 3Å
412R85.3Confident89.9Confident128 Ų12841.9 Ų41.948%0.48327%0.271SS..G310 helixtrans-65.3-24.8175.1-57.4-176.7-171.4-161.4-0.8112.5E225 S410E225-R412 IonicContact OE2-CZ 3.69Å; E225-R412 IonicContact OE2-NH1 2.84Å; E225-R412 PolarHBondContact OE2-NH1 3Å; E225-R412 IonicContact OE2-NH2 3.76Å; S410-R412 PolarHBondContact O-N 3.08Å; S410-R412 WeakPolarHBondContact OG-CB 3.21Å; S410-R412 PolarHBondContact OG-N 2.89Å; S410-R412 VanDerWaalsContact OG-N 3.12Å
413E87.1Confident89.6Confident50 Ų5042.2 Ų42.223%0.23428%0.278CS..G310 helixtrans-99.50.2-178.7-59.5-178.317300113.3S410 S411 A415 G416 R417 S442 S443S410-E413 PolarHBondContact O-N 3.37Å; S411-E413 PolarHBondContact O-N 2.92Å; E413-A415 VanDerWaalsContact C-N 3.27Å; E413-A415 PolarHBondContact O-N 3.35Å; E413-A415 VanDerWaalsContact O-N 3.16Å; E413-G416 PolarHBondContact O-N 3.31Å; E413-R417 HydrophobicContact CB-CG 4.22Å; E413-R417 WeakPolarHBondContact O-CG 3.27Å; E413-R417 PolarHBondContact O-N 2.91Å; E413-R417 WeakPolarHBondContact OE2-CD 3.5Å; E413-R417 IonicContact OE2-CZ 2.72Å; E413-R417 IonicContact OE2-NE 3.4Å; E413-R417 IonicContact OE2-NH1 3.96Å; E413-R417 PolarHBondContact OE2-NH1 3.37Å; E413-S442 WeakPolarHBondContact OE2-CA 3.37Å; E413-S442 PolarHBondContact OE2-OG 2.96Å; E413-S443 WeakPolarHBondContact OE1-CB 3.43Å; E413-S443 PolarHBondContact OE1-N 3.22Å; E413-S443 PolarHBondContact OE1-OG 2.79Å
414A81.3Confident89.4Confident60 Ų6043.6 Ų43.650%0.49629%0.292SS..G310 helixtrans-56.6-37.6-169.100000113.5S411 G416 R417S411-A414 WeakPolarHBondContact O-CB 3.16Å; S411-A414 PolarHBondContact O-N 2.86Å; A414-G416 VanDerWaalsContact C-N 3.25Å; A414-G416 PolarHBondContact O-N 3.45Å; A414-R417 PolarHBondContact O-N 3.4Å
415A81.6Confident89.2Confident113 Ų11343.6 Ų43.693%0.93429%0.292SS*.G310 helixtrans-66.5-23.4-178.900000114.1E413E413-A415 VanDerWaalsContact C-N 3.27Å; E413-A415 PolarHBondContact O-N 3.35Å; E413-A415 VanDerWaalsContact O-N 3.16Å
416G81.2Confident89.1Confident73 Ų7345 Ų4575%0.75331%0.306SS*.G310 helixtrans-104.34.3-177.800000114.3E413 A414E413-G416 PolarHBondContact O-N 3.31Å; A414-G416 VanDerWaalsContact C-N 3.25Å; A414-G416 PolarHBondContact O-N 3.45Å
417R86.9Confident89Confident30 Ų3048.9 Ų48.911%0.11334%0.34CS..SBendtrans-123150.2-172.2-66.817872.8867.7111.6K405 S409 E413 A414 A419 P440 R441K405-R417 PolarHBondContact O-NH2 2.82Å; K405-R417 VanDerWaalsContact O-NH2 3.12Å; S409-R417 WeakPolarHBondContact OG-CD 3.31Å; S409-R417 PolarHBondContact OG-NE 2.81Å; S409-R417 VanDerWaalsContact OG-NE 3.12Å; E413-R417 HydrophobicContact CB-CG 4.22Å; E413-R417 WeakPolarHBondContact O-CG 3.27Å; E413-R417 PolarHBondContact O-N 2.91Å; E413-R417 WeakPolarHBondContact OE2-CD 3.5Å; E413-R417 IonicContact OE2-CZ 2.72Å; E413-R417 IonicContact OE2-NE 3.4Å; E413-R417 IonicContact OE2-NH1 3.96Å; E413-R417 PolarHBondContact OE2-NH1 3.37Å; A414-R417 PolarHBondContact O-N 3.4Å; R417-A419 PolarHBondContact O-N 2.84Å; R417-P440 PolarHBondContact NH1-O 3.35Å; R417-P440 PolarHBondContact NH2-O 3.43Å; R417-R441 PolarHBondContact NH1-O 3.41Å
418P84.8Confident89Confident57 Ų5752.5 Ų52.537%0.3735%0.353SS..PPolyproline II helixtrans-58.2121.9170.8-23.334.4000110.8L420 L435 P436 I439P418-L420 PolarHBondContact O-N 3.22Å; P418-L435 HydrophobicContact CB-CD2 3.84Å; P418-P436 HydrophobicContact CB-CG 4.21Å; P418-P436 HydrophobicContact CG-CG 3.58Å; P418-I439 HydrophobicContact CB-CD1 4.4Å; P418-I439 HydrophobicContact CG-CD1 4.11Å
419A82.6Confident89Confident85 Ų8555 Ų5570%0.70238%0.379SS*.PPolyproline II helixtrans-76.2124.1-178.800000111.1R417 S421R417-A419 PolarHBondContact O-N 2.84Å; A419-S421 PolarHBondContact O-N 3.48Å
420L90.2Very high89.2Confident58 Ų5853.6 Ų53.630%0.30437%0.369SS..PPolyproline II helixtrans-73.2124.3169179.865.7000109.5I406 F407 P418 L431 F432 L435I406-L420 HydrophobicContact CG2-CB 4.46Å; I406-L420 HydrophobicContact CG2-CD1 4.06Å; I406-L420 HydrophobicContact CG2-CD2 4.2Å; I406-L420 HydrophobicContact CG2-CG 4.47Å; F407-L420 HydrophobicContact CD1-CD2 4.21Å; F407-L420 HydrophobicContact CE1-CD2 4.25Å; P418-L420 PolarHBondContact O-N 3.22Å; L420-L431 HydrophobicContact CD1-CD1 3.89Å; L420-L431 HydrophobicContact CD1-CG 3.94Å; L420-L431 WeakPolarHBondContact CD1-O 3.23Å; L420-L431 HydrophobicContact CG-CD1 4.45Å; L420-F432 HydrophobicContact CD1-CD1 4.21Å; L420-F432 HydrophobicContact CD1-CE1 4.48Å; L420-L435 HydrophobicContact CD1-CD1 3.96Å
421S91.9Very high89.6Confident54 Ų5453.5 Ų53.538%0.37837%0.368SS..  trans-104.2116.9175.4-177.20000110.9A419 S423 V425 R428A419-S421 PolarHBondContact O-N 3.48Å; S421-S423 VanDerWaalsContact C-N 3.33Å; S421-S423 PolarHBondContact OG-O 3.07Å; S421-V425 WeakPolarHBondContact O-CG2 3.27Å; S421-R428 PolarHBondContact O-NH2 3.24Å
422T92.4Very high90.2Very high23 Ų2352.9 Ų52.914%0.14136%0.363CS..  trans-83.1-9.4176.156.50000113.7A379 Y382 V425 V501A379-T422 VanDerWaalsContact O-CB 3.32Å; A379-T422 WeakPolarHBondContact O-CB 3.36Å; A379-T422 PolarHBondContact O-OG1 3.2Å; A379-T422 VanDerWaalsContact O-OG1 3.07Å; Y382-T422 HydrophobicContact CD1-CG2 4.17Å; Y382-T422 HydrophobicContact CG-CG2 4.46Å; Y382-T422 PolarHBondContact N-O 2.91Å; Y382-T422 VanDerWaalsContact N-O 3.17Å; T422-V425 WeakPolarHBondContact O-CG2 3.34Å; T422-V501 HydrophobicContact CG2-CG2 3.93Å
423S92.4Very high90.7Very high40 Ų4050.3 Ų50.328%0.2836%0.361SS..SBendtrans-90.3142.2176.5-60.70000111.7P378 A379 S421 V425 R428P378-S423 VanDerWaalsContact C-OG 3.27Å; P378-S423 VanDerWaalsContact O-CA 3.27Å; P378-S423 WeakPolarHBondContact O-CA 3.3Å; P378-S423 PolarHBondContact O-OG 3.13Å; A379-S423 PolarHBondContact N-OG 2.81Å; S421-S423 VanDerWaalsContact C-N 3.33Å; S421-S423 PolarHBondContact OG-O 3.07Å; S423-V425 PolarHBondContact O-N 2.85Å; S423-R428 PolarHBondContact O-NH1 3.29Å
424G93Very high91Very high29 Ų2951.7 Ų51.730%0.29939%0.389SS..SBendtrans65.519.7174.900000114.7D381 C426 A427 R428D381-G424 VanDerWaalsContact OD2-C 3.23Å; D381-G424 VanDerWaalsContact OD2-CA 3.26Å; D381-G424 WeakPolarHBondContact OD2-CA 3.41Å; D381-G424 PolarHBondContact OD2-N 3.29Å; G424-C426 VanDerWaalsContact C-N 3.32Å; G424-C426 PolarHBondContact O-N 3.21Å; G424-A427 PolarHBondContact O-N 3.16Å; G424-R428 WeakPolarHBondContact O-CG 3.45Å; G424-R428 PolarHBondContact O-N 3.49Å
425V94.8Very high91.7Very high0 Ų050.1 Ų50.10%037%0.372CS..Hα-helixtrans-59.2-43.3-179.7174.10000111D381 Y385 S421 T422 S423 A427 R428 G429 G430 L431D381-V425 PolarHBondContact OD2-N 2.89Å; Y385-V425 HydrophobicContact CD1-CG1 3.78Å; Y385-V425 HydrophobicContact CD2-CG1 4.18Å; Y385-V425 HydrophobicContact CE1-CG1 4.49Å; Y385-V425 HydrophobicContact CG-CG1 3.6Å; S421-V425 WeakPolarHBondContact O-CG2 3.27Å; T422-V425 WeakPolarHBondContact O-CG2 3.34Å; S423-V425 PolarHBondContact O-N 2.85Å; V425-A427 PolarHBondContact O-N 3.34Å; V425-R428 PolarHBondContact O-N 3.49Å; V425-G429 PolarHBondContact O-N 2.65Å; V425-G430 PolarHBondContact O-N 2.89Å; V425-L431 HydrophobicContact CG1-CB 4.22Å; V425-L431 HydrophobicContact CG1-CD1 4.37Å; V425-L431 HydrophobicContact CG2-CD1 3.86Å
426C92.5Very high92.3Very high59 Ų5947.6 Ų47.640%0.39935%0.346SS..Hα-helixtrans-63.7-42.5-179.6-63.30000111.6D381 Y385 G424 G429D381-C426 PolarHBondContact OD1-SG 3.29Å; D381-C426 PolarHBondContact OD2-N 3.1Å; Y385-C426 PolarHBondContact N-SG 3.05Å; G424-C426 VanDerWaalsContact C-N 3.32Å; G424-C426 PolarHBondContact O-N 3.21Å; C426-G429 PolarHBondContact O-N 2.79Å
427A94.3Very high92.8Very high96 Ų9649.5 Ų49.579%0.79334%0.335SS*.Hα-helixtrans-69.7-36.1179.900000112.4G424 V425 G429G424-A427 PolarHBondContact O-N 3.16Å; V425-A427 PolarHBondContact O-N 3.34Å; A427-G429 VanDerWaalsContact C-N 3.27Å
428R95.9Very high93.1Very high94 Ų9455.6 Ų55.636%0.35537%0.365SS..Hα-helixtrans-76-13.5174.6-66.2-164.3-49.6-91.4-6.2113.5S421 S423 G424 V425 V433S421-R428 PolarHBondContact O-NH2 3.24Å; S423-R428 PolarHBondContact O-NH1 3.29Å; G424-R428 WeakPolarHBondContact O-CG 3.45Å; G424-R428 PolarHBondContact O-N 3.49Å; V425-R428 PolarHBondContact O-N 3.49Å; R428-V433 WeakPolarHBondContact O-CG1 3.37Å
429G95.2Very high93.5Very high53 Ų5353.4 Ų53.455%0.54635%0.35SS..THydrogen-bonded Turntrans82.714.717500000115.3V425 C426 A427V425-G429 PolarHBondContact O-N 2.65Å; C426-G429 PolarHBondContact O-N 2.79Å; A427-G429 VanDerWaalsContact C-N 3.27Å
430G96.1Very high94Very high0 Ų052.7 Ų52.70%034%0.338CS..SBendtrans168.6156.1177.500000113V425 F432V425-G430 PolarHBondContact O-N 2.89Å; G430-F432 VanDerWaalsContact C-N 3.35Å
431L96.7Very high94.1Very high4 Ų454.8 Ų54.82%0.02134%0.342CS..SBendtrans-70.8-33.8-178.9-175.859.3000111.6Y385 F386 E395 L396 F407 L420 V425Y385-L431 HydrophobicContact CD1-CB 4.48Å; Y385-L431 HydrophobicContact CE1-CB 4.27Å; F386-L431 HydrophobicContact CE1-CD2 4.08Å; F386-L431 HydrophobicContact CZ-CD2 3.94Å; E395-L431 VanDerWaalsContact CD-N 3.34Å; E395-L431 PolarHBondContact OE1-N 3.01Å; E395-L431 PolarHBondContact OE2-N 2.75Å; L396-L431 HydrophobicContact CD2-CD2 4.5Å; F407-L431 HydrophobicContact CE1-CD2 3.85Å; F407-L431 HydrophobicContact CZ-CD2 3.93Å; L420-L431 HydrophobicContact CD1-CD1 3.89Å; L420-L431 HydrophobicContact CD1-CG 3.94Å; L420-L431 WeakPolarHBondContact CD1-O 3.23Å; L420-L431 HydrophobicContact CG-CD1 4.45Å; V425-L431 HydrophobicContact CG1-CB 4.22Å; V425-L431 HydrophobicContact CG1-CD1 4.37Å; V425-L431 HydrophobicContact CG2-CD1 3.86Å
432F97.2Very high94.2Very high5 Ų552.3 Ų52.32%0.02233%0.325CS..SBendtrans-102.32.3-176.1-53.9-27.8000113.8E395 L396 T403 I406 F407 L420 G430 G434 L435E395-F432 HydrophobicContact CG-CD2 3.79Å; E395-F432 HydrophobicContact CG-CE2 4.35Å; E395-F432 HydrophobicContact CG-CG 4.36Å; E395-F432 WeakPolarHBondContact OE1-CB 3.47Å; E395-F432 PolarHBondContact OE1-N 3.1Å; L396-F432 HydrophobicContact CD2-CE1 4.22Å; L396-F432 HydrophobicContact CD2-CE2 3.57Å; L396-F432 HydrophobicContact CD2-CZ 3.31Å; T403-F432 HydrophobicContact CG2-CE2 4.32Å; T403-F432 HydrophobicContact CG2-CZ 4.07Å; T403-F432 WeakPolarHBondContact OG1-CE2 3.43Å; I406-F432 HydrophobicContact CB-CE1 4.24Å; I406-F432 HydrophobicContact CD1-CB 4.27Å; I406-F432 HydrophobicContact CD1-CD1 3.77Å; I406-F432 HydrophobicContact CD1-CD2 4.05Å; I406-F432 HydrophobicContact CD1-CE1 4.05Å; I406-F432 HydrophobicContact CD1-CE2 4.29Å; I406-F432 HydrophobicContact CD1-CG 3.78Å; I406-F432 HydrophobicContact CD1-CZ 4.28Å; I406-F432 HydrophobicContact CG2-CD1 3.93Å; I406-F432 HydrophobicContact CG2-CE1 3.66Å; I406-F432 HydrophobicContact CG2-CZ 4.46Å; F407-F432 HydrophobicContact CE1-CE1 4.29Å; F407-F432 HydrophobicContact CE2-CZ 4.25Å; F407-F432 HydrophobicContact CZ-CE1 4.24Å; F407-F432 HydrophobicContact CZ-CZ 4.04Å; L420-F432 HydrophobicContact CD1-CD1 4.21Å; L420-F432 HydrophobicContact CD1-CE1 4.48Å; G430-F432 VanDerWaalsContact C-N 3.35Å; F432-G434 PolarHBondContact O-N 2.8Å; F432-L435 HydrophobicContact CB-CD1 4.41Å; F432-L435 HydrophobicContact CD1-CD1 4.26Å; F432-L435 WeakPolarHBondContact O-CB 3.48Å; F432-L435 PolarHBondContact O-N 3.27Å; F432-L435 VanDerWaalsContact O-N 3.1Å
433V95.9Very high94Very high73 Ų7355 Ų5544%0.44235%0.345SS..THydrogen-bonded Turntrans-63.5125.9176.6176.40000109.9R428R428-V433 WeakPolarHBondContact O-CG1 3.37Å
434G93.8Very high93.8Very high79 Ų7953.6 Ų53.681%0.81433%0.334SS*.THydrogen-bonded Turntrans93-8.8-176.500000114.5F432F432-G434 PolarHBondContact O-N 2.8Å
435L95.6Very high93.7Very high28 Ų2852.3 Ų52.315%0.14732%0.32CS..SBendtrans-84.2146.9171.8-62.2-179.1000110.9R402 I406 P418 L420 F432R402-L435 PolarHBondContact NH2-O 2.85Å; I406-L435 HydrophobicContact CD1-CD1 3.94Å; I406-L435 HydrophobicContact CG1-CD1 4.18Å; I406-L435 HydrophobicContact CG2-CD1 3.85Å; P418-L435 HydrophobicContact CB-CD2 3.84Å; L420-L435 HydrophobicContact CD1-CD1 3.96Å; F432-L435 HydrophobicContact CB-CD1 4.41Å; F432-L435 HydrophobicContact CD1-CD1 4.26Å; F432-L435 WeakPolarHBondContact O-CB 3.48Å; F432-L435 PolarHBondContact O-N 3.27Å; F432-L435 VanDerWaalsContact O-N 3.1Å
436P94.3Very high93.6Very high60 Ų6054.7 Ų54.739%0.3934%0.335SS..  trans-62.3156176.825.9-32.2000111.3R402 P418 I439R402-P436 PolarHBondContact NE-O 3.29Å; R402-P436 PolarHBondContact NH2-O 3.03Å; P418-P436 HydrophobicContact CB-CG 4.21Å; P418-P436 HydrophobicContact CG-CG 3.58Å; P436-I439 HydrophobicContact CG-CD1 3.73Å
437Q92.6Very high93.6Very high112 Ų11255 Ų5552%0.52333%0.33SS..SBendtrans-66.7-43.6177.1-173.260.828.600110.8R402R402-Q437 VanDerWaalsContact CD-O 3.29Å; R402-Q437 WeakPolarHBondContact CD-O 3.32Å; R402-Q437 PolarHBondContact NE-O 3.44Å
438Q93Very high93.5Very high158 Ų15853.5 Ų53.574%0.73832%0.318SS*.  trans-91119.8176.1-64-63.5-8.200110
439I93.7Very high93.5Very high11 Ų1149.4 Ų49.46%0.05630%0.303CS..  trans-113.8126.6176.9-59.3-76.2000106.9R402 K405 I406 P418 P436R402-I439 HydrophobicContact CG-CG1 4.26Å; K405-I439 HydrophobicContact CB-CB 4.15Å; K405-I439 HydrophobicContact CB-CG2 3.8Å; K405-I439 WeakPolarHBondContact CD-O 3.4Å; I406-I439 HydrophobicContact CD1-CG1 4.2Å; I406-I439 HydrophobicContact CG1-CB 4.41Å; I406-I439 HydrophobicContact CG1-CD1 4.02Å; I406-I439 HydrophobicContact CG1-CG1 3.71Å; I406-I439 HydrophobicContact CG1-CG2 4.25Å; P418-I439 HydrophobicContact CB-CD1 4.4Å; P418-I439 HydrophobicContact CG-CD1 4.11Å; P436-I439 HydrophobicContact CG-CD1 3.73Å
440P92.6Very high93.6Very high70 Ų7046.9 Ų46.946%0.45528%0.277SS..PPolyproline II helixtrans-64.4149.7175.626.2-32.7000110.3R417R417-P440 PolarHBondContact NH1-O 3.35Å; R417-P440 PolarHBondContact NH2-O 3.43Å
441R93.1Very high93.7Very high103 Ų10354.8 Ų54.839%0.38931%0.307SS..PPolyproline II helixtrans-70.6141.2172.5-163.817973-142.5-0.3109.5K405 R417 L445 E447 L450K405-R441 HydrophobicContact CD-CB 4.44Å; R417-R441 PolarHBondContact NH1-O 3.41Å; R441-L445 WeakPolarHBondContact CD-O 3.08Å; R441-L445 HydrophobicContact CG-CB 4.04Å; R441-L445 PolarHBondContact NE-O 2.81Å; R441-E447 VanDerWaalsContact CZ-N 3.32Å; R441-E447 IonicContact CZ-OE2 2.94Å; R441-E447 IonicContact NH1-OE2 3.75Å; R441-E447 PolarHBondContact NH1-OE2 3.22Å; R441-L450 HydrophobicContact CG-CD2 4.29Å
442S93.1Very high93.7Very high1 Ų156.2 Ų56.21%0.00731%0.312CS..PPolyproline II helixtrans-74.1150.4172174.10000110.5F408 S410 E413 M444 L445F408-S442 WeakPolarHBondContact O-CB 3.41Å; S410-S442 PolarHBondContact N-OG 3.47Å; E413-S442 WeakPolarHBondContact OE2-CA 3.37Å; E413-S442 PolarHBondContact OE2-OG 2.96Å; S442-M444 PolarHBondContact O-N 3.09Å; S442-M444 VanDerWaalsContact OG-CB 3.24Å; S442-M444 WeakPolarHBondContact OG-CB 2.91Å; S442-M444 PolarHBondContact OG-N 2.88Å; S442-L445 PolarHBondContact O-N 3.1Å; S442-L445 VanDerWaalsContact O-N 3.11Å; S442-L445 VanDerWaalsContact O-O 3.09Å
443S87.5Confident93.7Very high81 Ų8156 Ų5657%0.56631%0.311SS*.THydrogen-bonded Turntrans-62.1-18.9170.358.80000113.2E413 L445E413-S443 WeakPolarHBondContact OE1-CB 3.43Å; E413-S443 PolarHBondContact OE1-N 3.22Å; E413-S443 PolarHBondContact OE1-OG 2.79Å; S443-L445 PolarHBondContact O-N 2.76Å
444M89Confident93.8Very high10 Ų1053.2 Ų53.25%0.04929%0.294CS..THydrogen-bonded Turntrans-60.4-22.5172.1-172.7-171.2-78.100113.5R274 F408 S442 W528 M531 D532R274-M444 PolarHBondContact NH2-O 3Å; F408-M444 HydrophobicContact CB-SD 4.15Å; S442-M444 PolarHBondContact O-N 3.09Å; S442-M444 VanDerWaalsContact OG-CB 3.24Å; S442-M444 WeakPolarHBondContact OG-CB 2.91Å; S442-M444 PolarHBondContact OG-N 2.88Å; M444-W528 HydrophobicContact CE-CB 3.87Å; M444-W528 HydrophobicContact CE-CG 4.48Å; M444-W528 HydrophobicContact SD-CB 3.78Å; M444-W528 HydrophobicContact SD-CG 4.22Å; M444-M531 HydrophobicContact CG-CB 3.59Å; M444-M531 HydrophobicContact CG-CE 3.59Å; M444-M531 HydrophobicContact SD-CB 3.87Å; M444-M531 HydrophobicContact SD-CE 3.73Å; M444-D532 HydrophobicContact CE-CB 3.59Å
445L91.3Very high94Very high2 Ų251.3 Ų51.31%0.0128%0.275CS..  trans-118.6128.2178.7-64.8178.3000110.5F408 R441 S442 S443 D449 L450 Y453 M531F408-L445 HydrophobicContact CB-CD1 3.81Å; F408-L445 HydrophobicContact CB-CD2 4.27Å; F408-L445 HydrophobicContact CB-CG 4.01Å; F408-L445 HydrophobicContact CD2-CD1 3.95Å; F408-L445 HydrophobicContact CD2-CD2 3.97Å; F408-L445 HydrophobicContact CD2-CG 4.4Å; F408-L445 HydrophobicContact CG-CD1 4.39Å; F408-L445 HydrophobicContact CG-CD2 4.45Å; R441-L445 WeakPolarHBondContact CD-O 3.08Å; R441-L445 HydrophobicContact CG-CB 4.04Å; R441-L445 PolarHBondContact NE-O 2.81Å; S442-L445 PolarHBondContact O-N 3.1Å; S442-L445 VanDerWaalsContact O-N 3.11Å; S442-L445 VanDerWaalsContact O-O 3.09Å; S443-L445 PolarHBondContact O-N 2.76Å; L445-D449 HydrophobicContact CB-CB 4.37Å; L445-D449 HydrophobicContact CD2-CB 3.84Å; L445-L450 HydrophobicContact CD1-CB 4.31Å; L445-L450 HydrophobicContact CD1-CD1 4.19Å; L445-Y453 HydrophobicContact CD2-CD2 4.38Å; L445-Y453 HydrophobicContact CD2-CE2 4.09Å; L445-M531 HydrophobicContact CD2-CE 3.56Å; L445-M531 HydrophobicContact CG-CE 4.49Å
446T91.9Very high94.1Very high50 Ų5051.8 Ų51.831%0.30728%0.277SS..  trans-72170.3157.178.50000110.6A448 D449 L450T446-A448 VanDerWaalsContact C-N 3.25Å; T446-A448 PolarHBondContact O-N 2.86Å; T446-A448 PolarHBondContact OG1-N 3.43Å; T446-D449 PolarHBondContact N-OD2 3.49Å; T446-D449 PolarHBondContact O-N 3.18Å; T446-D449 PolarHBondContact OG1-N 3.05Å; T446-D449 VanDerWaalsContact OG1-N 3.08Å; T446-D449 PolarHBondContact OG1-OD1 2.77Å; T446-D449 PolarHBondContact OG1-OD2 3.07Å; T446-L450 PolarHBondContact O-N 2.58Å; T446-L450 VanDerWaalsContact O-N 3.16Å
447E92.9Very high94.2Very high64 Ų6449 Ų4930%0.29926%0.259SS..Hα-helixtrans-63-36.8172.4-174.857.2-165.100111.7R441 R451R441-E447 VanDerWaalsContact CZ-N 3.32Å; R441-E447 IonicContact CZ-OE2 2.94Å; R441-E447 IonicContact NH1-OE2 3.75Å; R441-E447 PolarHBondContact NH1-OE2 3.22Å; E447-R451 VanDerWaalsContact O-CG 3.29Å; E447-R451 WeakPolarHBondContact O-CG 3.45Å; E447-R451 PolarHBondContact O-N 3.28Å; E447-R451 VanDerWaalsContact O-N 3.1Å; E447-R451 IonicContact OE1-CZ 2.76Å; E447-R451 IonicContact OE1-NE 2.73Å; E447-R451 PolarHBondContact OE1-NE 3.04Å; E447-R451 IonicContact OE1-NH2 2.79Å; E447-R451 PolarHBondContact OE1-NH2 3.28Å
448A92.9Very high94.4Very high65 Ų6552.7 Ų52.754%0.53727%0.268SS..Hα-helixtrans-67.2-42.3178.300000110.8T446 L450 R451 Y452T446-A448 VanDerWaalsContact C-N 3.25Å; T446-A448 PolarHBondContact O-N 2.86Å; T446-A448 PolarHBondContact OG1-N 3.43Å; A448-L450 PolarHBondContact O-N 2.82Å; A448-R451 PolarHBondContact O-N 2.97Å; A448-Y452 WeakPolarHBondContact O-CB 3.43Å; A448-Y452 PolarHBondContact O-N 2.84Å
449D95.3Very high94.1Very high8 Ų848.7 Ų48.74%0.04327%0.269CS..Hα-helixtrans-59.5-49.4177.9-54.3-9.5000110.5Y271 R274 L445 T446 R451 Y452 Y453Y271-D449 HydrophobicContact CE1-CB 4.21Å; Y271-D449 PolarHBondContact OH-OD1 3.2Å; R274-D449 IonicContact CZ-OD2 2.91Å; R274-D449 IonicContact NE-OD2 2.86Å; R274-D449 IonicContact NH2-OD2 3.9Å; R274-D449 PolarHBondContact NH2-OD2 3.03Å; L445-D449 HydrophobicContact CB-CB 4.37Å; L445-D449 HydrophobicContact CD2-CB 3.84Å; T446-D449 PolarHBondContact N-OD2 3.49Å; T446-D449 PolarHBondContact O-N 3.18Å; T446-D449 PolarHBondContact OG1-N 3.05Å; T446-D449 VanDerWaalsContact OG1-N 3.08Å; T446-D449 PolarHBondContact OG1-OD1 2.77Å; T446-D449 PolarHBondContact OG1-OD2 3.07Å; D449-R451 VanDerWaalsContact C-N 3.34Å; D449-R451 PolarHBondContact O-N 2.71Å; D449-Y452 VanDerWaalsContact O-CB 3.31Å; D449-Y452 WeakPolarHBondContact O-CB 3.34Å; D449-Y452 PolarHBondContact O-N 2.68Å; D449-Y452 VanDerWaalsContact O-N 3.11Å; D449-Y453 WeakPolarHBondContact O-CD2 3.41Å; D449-Y453 PolarHBondContact O-N 2.82Å; D449-Y453 VanDerWaalsContact O-N 3.14Å
450L97.1Very high93.8Very high1 Ų149.4 Ų49.41%0.00527%0.274CS..Hα-helixtrans-58.9-46.2178.9176.760000111.8E401 F404 K405 R441 L445 T446 A448 Y452 Y453 V454E401-L450 HydrophobicContact CG-CD1 4.3Å; E401-L450 HydrophobicContact CG-CD2 3.74Å; E401-L450 HydrophobicContact CG-CG 4.18Å; F404-L450 HydrophobicContact CB-CD1 3.65Å; K405-L450 HydrophobicContact CD-CD2 4.33Å; K405-L450 VanDerWaalsContact CE-CD2 3.41Å; K405-L450 HydrophobicContact CG-CD1 4.27Å; K405-L450 HydrophobicContact CG-CD2 4.01Å; R441-L450 HydrophobicContact CG-CD2 4.29Å; L445-L450 HydrophobicContact CD1-CB 4.31Å; L445-L450 HydrophobicContact CD1-CD1 4.19Å; T446-L450 PolarHBondContact O-N 2.58Å; T446-L450 VanDerWaalsContact O-N 3.16Å; A448-L450 PolarHBondContact O-N 2.82Å; L450-Y452 PolarHBondContact O-N 3.45Å; L450-Y453 PolarHBondContact O-N 2.79Å; L450-V454 HydrophobicContact CD1-CG2 4.22Å; L450-V454 WeakPolarHBondContact O-CG2 3.49Å; L450-V454 PolarHBondContact O-N 2.79Å
451R97.4Very high94Very high166 Ų16646.6 Ų46.663%0.62626%0.259SS*.Hα-helixtrans-61.8-35177-73.5175.9-169.91774112.3E447 A448 D449 G455E447-R451 VanDerWaalsContact O-CG 3.29Å; E447-R451 WeakPolarHBondContact O-CG 3.45Å; E447-R451 PolarHBondContact O-N 3.28Å; E447-R451 VanDerWaalsContact O-N 3.1Å; E447-R451 IonicContact OE1-CZ 2.76Å; E447-R451 IonicContact OE1-NE 2.73Å; E447-R451 PolarHBondContact OE1-NE 3.04Å; E447-R451 IonicContact OE1-NH2 2.79Å; E447-R451 PolarHBondContact OE1-NH2 3.28Å; A448-R451 PolarHBondContact O-N 2.97Å; D449-R451 VanDerWaalsContact C-N 3.34Å; D449-R451 PolarHBondContact O-N 2.71Å; R451-G455 PolarHBondContact O-N 3.45Å
452Y97.1Very high94.2Very high33 Ų3341.7 Ų41.713%0.12924%0.24CC..Hα-helixtrans-60.9-54.7175.8-179.2-89.9000110.9P233 W270 Y271 A448 D449 L450 V454 G455 Q456P233-Y452 HydrophobicContact CB-CE2 4.06Å; P233-Y452 HydrophobicContact CG-CD2 3.57Å; P233-Y452 HydrophobicContact CG-CE2 3.44Å; P233-Y452 VanDerWaalsContact CG-CE2 3.44Å; W270-Y452 VanDerWaalsContact CE2-OH 3.3Å; W270-Y452 AromaticContact NE1-CZ 3.98Å; W270-Y452 PolarHBondContact NE1-OH 3.07Å; Y271-Y452 AromaticContact CD1-CD1 3.48Å; Y271-Y452 HydrophobicContact CD1-CD1 3.48Å; Y271-Y452 VanDerWaalsContact CD1-CD1 3.48Å; Y271-Y452 AromaticContact CD1-CE1 3.98Å; Y271-Y452 HydrophobicContact CD1-CE1 3.98Å; Y271-Y452 HydrophobicContact CD1-CG 4.01Å; Y271-Y452 HydrophobicContact CD2-CD1 4.47Å; Y271-Y452 HydrophobicContact CD2-CE1 4.34Å; Y271-Y452 HydrophobicContact CE1-CD1 4.22Å; Y271-Y452 HydrophobicContact CE1-CG 4.3Å; Y271-Y452 AromaticContact CG-CD1 3.63Å; Y271-Y452 HydrophobicContact CG-CD1 3.63Å; Y271-Y452 AromaticContact CG-CE1 3.62Å; Y271-Y452 HydrophobicContact CG-CE1 3.62Å; Y271-Y452 HydrophobicContact CG-CG 4.29Å; A448-Y452 WeakPolarHBondContact O-CB 3.43Å; A448-Y452 PolarHBondContact O-N 2.84Å; D449-Y452 VanDerWaalsContact O-CB 3.31Å; D449-Y452 WeakPolarHBondContact O-CB 3.34Å; D449-Y452 PolarHBondContact O-N 2.68Å; D449-Y452 VanDerWaalsContact O-N 3.11Å; L450-Y452 PolarHBondContact O-N 3.45Å; Y452-V454 PolarHBondContact O-N 3.44Å; Y452-G455 PolarHBondContact O-N 3.22Å; Y452-G455 VanDerWaalsContact O-N 3.11Å; Y452-Q456 HydrophobicContact CD1-CG 4.15Å; Y452-Q456 HydrophobicContact CE1-CG 3.64Å; Y452-Q456 HydrophobicContact CE2-CG 4.36Å; Y452-Q456 WeakPolarHBondContact O-CG 3.22Å; Y452-Q456 PolarHBondContact O-N 2.93Å
453Y98.1Very high94.5Very high0 Ų046.5 Ų46.50%026%0.258CS..Hα-helixtrans-60.5-44.1178.5-71.2-79.7000112.4Y271 S272 R274 F404 F408 L445 D449 L450 G455 Q456 F457 M531Y271-Y453 HydrophobicContact CD1-CE2 4.04Å; S272-Y453 VanDerWaalsContact CA-OH 3.26Å; S272-Y453 WeakPolarHBondContact CA-OH 3.41Å; S272-Y453 PolarHBondContact N-OH 3.08Å; S272-Y453 PolarHBondContact OG-OH 3.38Å; R274-Y453 PolarHBondContact NH1-OH 3.42Å; F404-Y453 HydrophobicContact CD1-CG 4.49Å; F404-Y453 HydrophobicContact CE1-CD1 4.46Å; F408-Y453 HydrophobicContact CD2-CD2 4.27Å; F408-Y453 HydrophobicContact CD2-CE2 4.31Å; F408-Y453 AromaticContact CE2-CD1 3.71Å; F408-Y453 HydrophobicContact CE2-CD1 3.71Å; F408-Y453 AromaticContact CE2-CD2 3.74Å; F408-Y453 HydrophobicContact CE2-CD2 3.74Å; F408-Y453 AromaticContact CE2-CE1 3.74Å; F408-Y453 HydrophobicContact CE2-CE1 3.74Å; F408-Y453 AromaticContact CE2-CE2 3.81Å; F408-Y453 HydrophobicContact CE2-CE2 3.81Å; F408-Y453 AromaticContact CE2-CG 3.72Å; F408-Y453 HydrophobicContact CE2-CG 3.72Å; F408-Y453 AromaticContact CE2-CZ 3.79Å; F408-Y453 HydrophobicContact CZ-CD1 4.08Å; F408-Y453 AromaticContact CZ-CE1 3.84Å; F408-Y453 HydrophobicContact CZ-CE1 3.84Å; L445-Y453 HydrophobicContact CD2-CD2 4.38Å; L445-Y453 HydrophobicContact CD2-CE2 4.09Å; D449-Y453 WeakPolarHBondContact O-CD2 3.41Å; D449-Y453 PolarHBondContact O-N 2.82Å; D449-Y453 VanDerWaalsContact O-N 3.14Å; L450-Y453 PolarHBondContact O-N 2.79Å; Y453-G455 VanDerWaalsContact C-N 3.29Å; Y453-G455 PolarHBondContact O-N 3.32Å; Y453-Q456 PolarHBondContact O-N 2.86Å; Y453-F457 WeakPolarHBondContact O-CD2 3.42Å; Y453-F457 PolarHBondContact O-N 3.09Å; Y453-M531 PolarHBondContact OH-SD 3.43Å
454V98.3Very high95Very high15 Ų1542.8 Ų42.89%0.09123%0.233CC..Hα-helixtrans-58.4-42.5174.8170.50000111.2L400 E401 F404 L450 Y452 R458L400-V454 HydrophobicContact CB-CB 4.47Å; L400-V454 HydrophobicContact CB-CG1 4.07Å; L400-V454 HydrophobicContact CB-CG2 4.13Å; L400-V454 HydrophobicContact CD1-CG1 4.26Å; E401-V454 HydrophobicContact CB-CG2 4.23Å; F404-V454 HydrophobicContact CD2-CG2 3.91Å; F404-V454 HydrophobicContact CE2-CG2 4.5Å; L450-V454 HydrophobicContact CD1-CG2 4.22Å; L450-V454 WeakPolarHBondContact O-CG2 3.49Å; L450-V454 PolarHBondContact O-N 2.79Å; Y452-V454 PolarHBondContact O-N 3.44Å; V454-R458 VanDerWaalsContact O-CB 3.31Å; V454-R458 WeakPolarHBondContact O-CB 3.39Å; V454-R458 PolarHBondContact O-N 2.95Å
455G97.4Very high95.5Very high40 Ų4042.3 Ų42.341%0.41223%0.23SC..Hα-helixtrans-62.2-46.8177.900000112.7R451 Y452 Y453 R458R451-G455 PolarHBondContact O-N 3.45Å; Y452-G455 PolarHBondContact O-N 3.22Å; Y452-G455 VanDerWaalsContact O-N 3.11Å; Y453-G455 VanDerWaalsContact C-N 3.29Å; Y453-G455 PolarHBondContact O-N 3.32Å; G455-R458 PolarHBondContact O-N 3.45Å
456Q96.8Very high95.8Very high37 Ų3742.2 Ų42.217%0.17323%0.23CC..Hα-helixtrans-61.8-50178.9-66.6-56.5-43.600111.6Y452 Y453 R458 G459 S460Y452-Q456 HydrophobicContact CD1-CG 4.15Å; Y452-Q456 HydrophobicContact CE1-CG 3.64Å; Y452-Q456 HydrophobicContact CE2-CG 4.36Å; Y452-Q456 WeakPolarHBondContact O-CG 3.22Å; Y452-Q456 PolarHBondContact O-N 2.93Å; Y453-Q456 PolarHBondContact O-N 2.86Å; Q456-R458 VanDerWaalsContact C-N 3.3Å; Q456-R458 PolarHBondContact O-N 3.19Å; Q456-G459 PolarHBondContact O-N 2.92Å; Q456-S460 PolarHBondContact O-N 3.24Å
457F97.7Very high96.1Very high3 Ų339.9 Ų39.91%0.01322%0.215CC..Hα-helixtrans-76-17-176.3-80.1-106.8000113.9P267 E268 Y295 L400 F404 Y453 G459 G461 F462 P465P267-F457 HydrophobicContact CB-CE1 3.83Å; P267-F457 HydrophobicContact CB-CZ 3.83Å; E268-F457 VanDerWaalsContact O-CE2 3.29Å; E268-F457 WeakPolarHBondContact O-CE2 3.31Å; E268-F457 WeakPolarHBondContact O-CZ 3.09Å; Y295-F457 HydrophobicContact CD1-CE1 4.21Å; Y295-F457 HydrophobicContact CD1-CE2 4.4Å; Y295-F457 AromaticContact CD1-CZ 3.63Å; Y295-F457 HydrophobicContact CD1-CZ 3.63Å; Y295-F457 HydrophobicContact CE1-CE1 4.26Å; Y295-F457 AromaticContact CE1-CZ 3.86Å; Y295-F457 HydrophobicContact CE1-CZ 3.86Å; L400-F457 HydrophobicContact CD2-CB 4.18Å; F404-F457 HydrophobicContact CE1-CD2 4.22Å; F404-F457 HydrophobicContact CE1-CE2 4.12Å; F404-F457 HydrophobicContact CE1-CZ 4.42Å; F404-F457 HydrophobicContact CE2-CB 4.05Å; F404-F457 HydrophobicContact CE2-CD2 4.1Å; F404-F457 HydrophobicContact CE2-CG 4.12Å; F404-F457 HydrophobicContact CZ-CB 3.96Å; F404-F457 HydrophobicContact CZ-CD1 4.03Å; F404-F457 AromaticContact CZ-CD2 3.36Å; F404-F457 HydrophobicContact CZ-CD2 3.36Å; F404-F457 HydrophobicContact CZ-CE1 4.32Å; F404-F457 AromaticContact CZ-CE2 3.7Å; F404-F457 HydrophobicContact CZ-CE2 3.7Å; F404-F457 AromaticContact CZ-CG 3.51Å; F404-F457 HydrophobicContact CZ-CG 3.51Å; F404-F457 HydrophobicContact CZ-CZ 4.17Å; Y453-F457 WeakPolarHBondContact O-CD2 3.42Å; Y453-F457 PolarHBondContact O-N 3.09Å; F457-G459 PolarHBondContact O-N 2.77Å; F457-G461 VanDerWaalsContact O-CA 3.29Å; F457-G461 WeakPolarHBondContact O-CA 3.34Å; F457-G461 PolarHBondContact O-N 3.39Å; F457-F462 HydrophobicContact CB-CE2 4.25Å; F457-F462 HydrophobicContact CD1-CD1 4.29Å; F457-F462 AromaticContact CD1-CD2 3.86Å; F457-F462 HydrophobicContact CD1-CD2 3.86Å; F457-F462 AromaticContact CD1-CE1 4Å; F457-F462 HydrophobicContact CD1-CE1 4Å; F457-F462 AromaticContact CD1-CE2 3.52Å; F457-F462 HydrophobicContact CD1-CE2 3.52Å; F457-F462 HydrophobicContact CD1-CG 4.24Å; F457-F462 AromaticContact CD1-CZ 3.6Å; F457-F462 HydrophobicContact CD1-CZ 3.6Å; F457-F462 HydrophobicContact CE1-CD1 4.15Å; F457-F462 AromaticContact CE1-CE1 3.86Å; F457-F462 HydrophobicContact CE1-CE1 3.86Å; F457-F462 HydrophobicContact CE1-CE2 4.23Å; F457-F462 HydrophobicContact CE1-CG 4.48Å; F457-F462 AromaticContact CE1-CZ 3.9Å; F457-F462 HydrophobicContact CE1-CZ 3.9Å; F457-F462 HydrophobicContact CG-CE2 4.23Å; F457-F462 HydrophobicContact CG-CZ 4.36Å; F457-P465 HydrophobicContact CE1-CG 3.97Å
458R95.6Very high96.4Very high189 Ų18936.9 Ų36.971%0.71320%0.201SC*.Hα-helixtrans-64.8-28167.7-171.1177.3-69.3163.3-1.4111.9L400 V454 G455 Q456L400-R458 HydrophobicContact CD1-CB 3.96Å; V454-R458 VanDerWaalsContact O-CB 3.31Å; V454-R458 WeakPolarHBondContact O-CB 3.39Å; V454-R458 PolarHBondContact O-N 2.95Å; G455-R458 PolarHBondContact O-N 3.45Å; Q456-R458 VanDerWaalsContact C-N 3.3Å; Q456-R458 PolarHBondContact O-N 3.19Å
459G87.5Confident96.6Very high74 Ų7434 Ų3476%0.76318%0.176SC*.Hα-helixtrans-82.8-44.4177.600000113.8Q456 F457Q456-G459 PolarHBondContact O-N 2.92Å; F457-G459 PolarHBondContact O-N 2.77Å
460S86.6Confident96.7Very high25 Ų2534.6 Ų34.618%0.17518%0.178CC..Hα-helixtrans-101-20-17262.80000115.1Q456Q456-S460 PolarHBondContact O-N 3.24Å
461G96.5Very high96.6Very high12 Ų1234.9 Ų34.912%0.12418%0.18CC..THydrogen-bonded Turntrans61.4-164.2-170.200000113.3E397 F457E397-G461 WeakPolarHBondContact OE1-CA 3.25Å; F457-G461 VanDerWaalsContact O-CA 3.29Å; F457-G461 WeakPolarHBondContact O-CA 3.34Å; F457-G461 PolarHBondContact O-N 3.39Å
462F98.7Very high96.3Very high0 Ų028.2 Ų28.20%016%0.157CC..THydrogen-bonded Turntrans-106.6-6.9-178-79.3-99.6000113.7F266 P267 L396 E397 L400 T403 F404 F407 F457 G464 P465 L466F266-F462 HydrophobicContact CE2-CD1 4.27Å; F266-F462 HydrophobicContact CZ-CD1 4.23Å; P267-F462 HydrophobicContact CB-CD1 4.15Å; P267-F462 HydrophobicContact CB-CE1 3.51Å; P267-F462 HydrophobicContact CB-CZ 4.39Å; P267-F462 HydrophobicContact CG-CE1 3.76Å; L396-F462 HydrophobicContact CB-CB 4.47Å; L396-F462 HydrophobicContact CB-CD1 3.87Å; L396-F462 HydrophobicContact CB-CD2 3.93Å; L396-F462 HydrophobicContact CB-CE1 3.98Å; L396-F462 HydrophobicContact CB-CE2 4.05Å; L396-F462 HydrophobicContact CB-CG 3.82Å; L396-F462 HydrophobicContact CB-CZ 4.08Å; L396-F462 HydrophobicContact CD1-CB 4.38Å; L396-F462 HydrophobicContact CD1-CD1 3.42Å; L396-F462 VanDerWaalsContact CD1-CD1 3.42Å; L396-F462 HydrophobicContact CD1-CE1 3.83Å; L396-F462 HydrophobicContact CD1-CG 4Å; L396-F462 HydrophobicContact CG-CD1 4.25Å; L396-F462 HydrophobicContact CG-CE1 4.41Å; E397-F462 HydrophobicContact CG-CB 4.31Å; E397-F462 HydrophobicContact CG-CD2 3.57Å; E397-F462 HydrophobicContact CG-CE2 4.38Å; E397-F462 HydrophobicContact CG-CG 4.37Å; E397-F462 PolarHBondContact OE1-N 3.03Å; L400-F462 HydrophobicContact CD2-CD2 4.35Å; L400-F462 HydrophobicContact CD2-CE2 3.58Å; T403-F462 HydrophobicContact CG2-CE1 4.29Å; T403-F462 HydrophobicContact CG2-CE2 4.5Å; T403-F462 HydrophobicContact CG2-CZ 3.72Å; F404-F462 HydrophobicContact CZ-CZ 4.06Å; F407-F462 HydrophobicContact CE2-CE1 4.47Å; F457-F462 HydrophobicContact CB-CE2 4.25Å; F457-F462 HydrophobicContact CD1-CD1 4.29Å; F457-F462 AromaticContact CD1-CD2 3.86Å; F457-F462 HydrophobicContact CD1-CD2 3.86Å; F457-F462 AromaticContact CD1-CE1 4Å; F457-F462 HydrophobicContact CD1-CE1 4Å; F457-F462 AromaticContact CD1-CE2 3.52Å; F457-F462 HydrophobicContact CD1-CE2 3.52Å; F457-F462 HydrophobicContact CD1-CG 4.24Å; F457-F462 AromaticContact CD1-CZ 3.6Å; F457-F462 HydrophobicContact CD1-CZ 3.6Å; F457-F462 HydrophobicContact CE1-CD1 4.15Å; F457-F462 AromaticContact CE1-CE1 3.86Å; F457-F462 HydrophobicContact CE1-CE1 3.86Å; F457-F462 HydrophobicContact CE1-CE2 4.23Å; F457-F462 HydrophobicContact CE1-CG 4.48Å; F457-F462 AromaticContact CE1-CZ 3.9Å; F457-F462 HydrophobicContact CE1-CZ 3.9Å; F457-F462 HydrophobicContact CG-CE2 4.23Å; F457-F462 HydrophobicContact CG-CZ 4.36Å; F462-G464 PolarHBondContact O-N 3.44Å; F462-P465 WeakPolarHBondContact O-CD 3.38Å; F462-L466 HydrophobicContact CB-CD1 3.9Å; F462-L466 HydrophobicContact CB-CG 4.34Å; F462-L466 VanDerWaalsContact O-CB 3.24Å; F462-L466 WeakPolarHBondContact O-CB 3.34Å; F462-L466 WeakPolarHBondContact O-CD1 3.37Å; F462-L466 VanDerWaalsContact O-CG 3.25Å; F462-L466 WeakPolarHBondContact O-CG 3.4Å; F462-L466 PolarHBondContact O-N 3.08Å
463R98.6Very high96Very high102 Ų10230.9 Ų30.939%0.38517%0.17SC..Hα-helixtrans-56.6-53.9-179.9-177.5-179.4176.797.70.7112.6P302 E393 L466 N467P302-R463 VanDerWaalsContact O-CZ 3.25Å; P302-R463 PolarHBondContact O-NE 3.25Å; P302-R463 PolarHBondContact O-NH2 3.26Å; E393-R463 HydrophobicContact CG-CB 4.18Å; R463-L466 PolarHBondContact O-N 2.83Å; R463-N467 PolarHBondContact O-N 3.13Å; R463-N467 PolarHBondContact O-OD1 3.02Å
464G98.3Very high95.8Very high3 Ų333 Ų333%0.03119%0.188CC..Hα-helixtrans-58.8-53176.900000112.3Y307 F462 L466 N467Y307-G464 WeakPolarHBondContact CE1-O 3.5Å; Y307-G464 VanDerWaalsContact CZ-CA 3.49Å; Y307-G464 VanDerWaalsContact OH-CA 3.25Å; Y307-G464 WeakPolarHBondContact OH-CA 3.47Å; F462-G464 PolarHBondContact O-N 3.44Å; G464-L466 PolarHBondContact O-N 3.4Å; G464-N467 WeakPolarHBondContact O-CB 3.36Å; G464-N467 PolarHBondContact O-N 3.45Å; G464-N467 VanDerWaalsContact O-N 3.11Å
465P98.6Very high95.7Very high0 Ų032.8 Ų32.80%019%0.186CC..Hα-helixtrans-50.8-47.8173.6-33.640000114.1F266 G294 Y295 F457 F462 N467 W468F266-P465 HydrophobicContact CD2-CB 3.69Å; F266-P465 HydrophobicContact CE2-CB 3.66Å; G294-P465 VanDerWaalsContact O-CD 3.29Å; G294-P465 WeakPolarHBondContact O-CD 3.27Å; Y295-P465 HydrophobicContact CD1-CB 4.33Å; Y295-P465 HydrophobicContact CD1-CG 3.74Å; Y295-P465 HydrophobicContact CD2-CG 4.47Å; Y295-P465 HydrophobicContact CE1-CB 3.5Å; Y295-P465 VanDerWaalsContact CE1-CB 3.5Å; Y295-P465 HydrophobicContact CE1-CG 3.42Å; Y295-P465 VanDerWaalsContact CE1-CG 3.42Å; Y295-P465 HydrophobicContact CE2-CB 4.26Å; Y295-P465 HydrophobicContact CE2-CG 4.23Å; Y295-P465 HydrophobicContact CG-CG 4.26Å; Y295-P465 VanDerWaalsContact CZ-CB 3.47Å; Y295-P465 WeakPolarHBondContact OH-CA 3.25Å; Y295-P465 WeakPolarHBondContact OH-CB 3.49Å; F457-P465 HydrophobicContact CE1-CG 3.97Å; F462-P465 WeakPolarHBondContact O-CD 3.38Å; P465-N467 VanDerWaalsContact C-N 3.31Å; P465-N467 PolarHBondContact O-N 3.5Å; P465-W468 WeakPolarHBondContact O-CB 3.34Å; P465-W468 VanDerWaalsContact O-CD1 3.31Å; P465-W468 PolarHBondContact O-N 2.82Å
466L98.8Very high95.5Very high0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-68.7-27179.8-74.5163.9000113F266 F386 A392 E393 L396 F462 R463 G464 W468 Y469F266-L466 HydrophobicContact CE2-CD2 3.91Å; F266-L466 HydrophobicContact CE2-CG 3.99Å; F266-L466 HydrophobicContact CZ-CD2 3.71Å; F266-L466 HydrophobicContact CZ-CG 4.19Å; F386-L466 HydrophobicContact CB-CD2 3.83Å; F386-L466 HydrophobicContact CD1-CD2 3.73Å; F386-L466 HydrophobicContact CD2-CD2 3.63Å; F386-L466 HydrophobicContact CE1-CD2 4.12Å; F386-L466 HydrophobicContact CE2-CD2 4.02Å; F386-L466 HydrophobicContact CG-CD2 3.46Å; F386-L466 VanDerWaalsContact CG-CD2 3.46Å; F386-L466 HydrophobicContact CZ-CD2 4.25Å; A392-L466 HydrophobicContact CB-CD1 3.73Å; A392-L466 HydrophobicContact CB-CD2 3.89Å; E393-L466 HydrophobicContact CB-CD1 4.39Å; E393-L466 VanDerWaalsContact CD-CD1 3.49Å; E393-L466 HydrophobicContact CG-CD1 3.67Å; E393-L466 WeakPolarHBondContact OE2-CD1 3.36Å; L396-L466 HydrophobicContact CD1-CD1 4.3Å; L396-L466 HydrophobicContact CD1-CD2 4.26Å; F462-L466 HydrophobicContact CB-CD1 3.9Å; F462-L466 HydrophobicContact CB-CG 4.34Å; F462-L466 VanDerWaalsContact O-CB 3.24Å; F462-L466 WeakPolarHBondContact O-CB 3.34Å; F462-L466 WeakPolarHBondContact O-CD1 3.37Å; F462-L466 VanDerWaalsContact O-CG 3.25Å; F462-L466 WeakPolarHBondContact O-CG 3.4Å; F462-L466 PolarHBondContact O-N 3.08Å; R463-L466 PolarHBondContact O-N 2.83Å; G464-L466 PolarHBondContact O-N 3.4Å; L466-W468 PolarHBondContact O-N 2.76Å; L466-Y469 PolarHBondContact O-N 2.91Å
467N98.7Very high95.3Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-64.4-20.1177.4-73.6-11.2000113.2P302 D303 Y307 R463 G464 P465 Y469 R470 N471P302-N467 PolarHBondContact O-ND2 3.38Å; D303-N467 PolarHBondContact O-ND2 3.46Å; Y307-N467 HydrophobicContact CD1-CB 4.37Å; Y307-N467 HydrophobicContact CD2-CB 3.29Å; Y307-N467 HydrophobicContact CE2-CB 3.83Å; Y307-N467 HydrophobicContact CG-CB 3.6Å; R463-N467 PolarHBondContact O-N 3.13Å; R463-N467 PolarHBondContact O-OD1 3.02Å; G464-N467 WeakPolarHBondContact O-CB 3.36Å; G464-N467 PolarHBondContact O-N 3.45Å; G464-N467 VanDerWaalsContact O-N 3.11Å; P465-N467 VanDerWaalsContact C-N 3.31Å; P465-N467 PolarHBondContact O-N 3.5Å; N467-Y469 PolarHBondContact O-N 3.06Å; N467-R470 PolarHBondContact O-N 2.98Å; N467-R470 WeakPolarHBondContact OD1-CD 3.45Å; N467-R470 PolarHBondContact OD1-NH1 3.11Å; N467-N471 PolarHBondContact O-ND2 2.95Å
468W98.4Very high95.2Very high2 Ų237.7 Ų37.71%0.00819%0.194CC..G310 helixtrans-57.7-34.4170.2-72.371000112.1M292 K293 Y295 Y307 L312 W335 L339 P465 L466M292-W468 HydrophobicContact CB-CH2 4.25Å; M292-W468 HydrophobicContact CB-CZ2 3.87Å; M292-W468 HydrophobicContact CE-CH2 3.74Å; M292-W468 HydrophobicContact CE-CZ2 4.37Å; K293-W468 PolarHBondContact O-NE1 2.94Å; Y295-W468 AromaticContact CE2-NE1 3.58Å; Y307-W468 AromaticContact CD1-CD1 3.54Å; Y307-W468 HydrophobicContact CD1-CG 4.4Å; Y307-W468 AromaticContact CD1-NE1 3.38Å; Y307-W468 AromaticContact CE1-NE1 3.85Å; L312-W468 HydrophobicContact CD1-CD2 3.94Å; L312-W468 HydrophobicContact CD1-CE3 3.61Å; L312-W468 HydrophobicContact CD1-CH2 3.57Å; L312-W468 HydrophobicContact CD1-CZ2 3.88Å; L312-W468 HydrophobicContact CD1-CZ3 3.45Å; L312-W468 VanDerWaalsContact CD1-CZ3 3.45Å; L312-W468 HydrophobicContact CD2-CH2 3.79Å; L312-W468 HydrophobicContact CD2-CZ2 3.57Å; L312-W468 HydrophobicContact CG-CH2 4.2Å; L312-W468 HydrophobicContact CG-CZ2 4.35Å; W335-W468 HydrophobicContact CB-CE3 3.82Å; W335-W468 HydrophobicContact CB-CZ3 4.22Å; W335-W468 HydrophobicContact CD2-CB 4.19Å; W335-W468 HydrophobicContact CD2-CE3 4.23Å; W335-W468 HydrophobicContact CE3-CE3 4.17Å; W335-W468 HydrophobicContact CG-CB 4.34Å; W335-W468 HydrophobicContact CG-CE3 4.12Å; W335-W468 WeakPolarHBondContact CH2-O 3.16Å; L339-W468 HydrophobicContact CD2-CH2 4.22Å; P465-W468 WeakPolarHBondContact O-CB 3.34Å; P465-W468 VanDerWaalsContact O-CD1 3.31Å; P465-W468 PolarHBondContact O-N 2.82Å; L466-W468 PolarHBondContact O-N 2.76Å
469Y97Very high95Very high3 Ų330 Ų301%0.01217%0.167CC..G310 helixtrans-81.8-11.4177.5-65.2-90.4000114.1F266 W335 Y382 Q383 F386 Q387 L466 N467 N472F266-Y469 HydrophobicContact CB-CE2 3.92Å; F266-Y469 AromaticContact CD1-CE2 3.67Å; F266-Y469 HydrophobicContact CD1-CE2 3.67Å; F266-Y469 AromaticContact CD1-CZ 3.94Å; F266-Y469 WeakPolarHBondContact CD1-OH 3.15Å; F266-Y469 HydrophobicContact CD2-CD2 4.49Å; F266-Y469 AromaticContact CD2-CE2 3.74Å; F266-Y469 HydrophobicContact CD2-CE2 3.74Å; F266-Y469 HydrophobicContact CE1-CE2 4.1Å; F266-Y469 HydrophobicContact CE2-CE2 4.14Å; F266-Y469 AromaticContact CG-CE2 3.5Å; F266-Y469 HydrophobicContact CG-CE2 3.5Å; F266-Y469 HydrophobicContact CZ-CE2 4.31Å; W335-Y469 AromaticContact CD1-CE2 3.85Å; W335-Y469 AromaticContact CD1-CZ 3.63Å; W335-Y469 AromaticContact CE2-CD1 3.81Å; W335-Y469 AromaticContact CE2-CE1 3.71Å; W335-Y469 AromaticContact CE2-CZ 3.96Å; W335-Y469 AromaticContact CZ2-CD1 3.48Å; W335-Y469 HydrophobicContact CZ2-CD1 3.48Å; W335-Y469 VanDerWaalsContact CZ2-CD1 3.48Å; W335-Y469 HydrophobicContact CZ2-CD2 4.47Å; W335-Y469 AromaticContact CZ2-CE1 3.8Å; W335-Y469 HydrophobicContact CZ2-CE1 3.8Å; W335-Y469 AromaticContact CZ2-CG 3.85Å; W335-Y469 HydrophobicContact CZ2-CG 3.85Å; W335-Y469 AromaticContact NE1-CD1 3.53Å; W335-Y469 AromaticContact NE1-CD2 3.59Å; W335-Y469 AromaticContact NE1-CE1 3.06Å; W335-Y469 AromaticContact NE1-CE2 3.17Å; W335-Y469 AromaticContact NE1-CG 3.77Å; W335-Y469 AromaticContact NE1-CZ 2.88Å; W335-Y469 PolarHBondContact NE1-OH 2.66Å; Y382-Y469 AromaticContact CE2-CE1 3.93Å; Y382-Y469 HydrophobicContact CE2-CE1 3.93Å; Q383-Y469 HydrophobicContact CB-CD1 4.24Å; Q383-Y469 HydrophobicContact CG-CD1 3.77Å; Q383-Y469 HydrophobicContact CG-CE1 3.85Å; F386-Y469 HydrophobicContact CD2-CD1 4.28Å; F386-Y469 AromaticContact CD2-CD2 3.79Å; F386-Y469 HydrophobicContact CD2-CD2 3.79Å; F386-Y469 HydrophobicContact CD2-CE1 4.36Å; F386-Y469 AromaticContact CD2-CE2 3.83Å; F386-Y469 HydrophobicContact CD2-CE2 3.83Å; F386-Y469 HydrophobicContact CD2-CG 4.02Å; F386-Y469 HydrophobicContact CE2-CD2 4.43Å; F386-Y469 HydrophobicContact CE2-CE2 4.01Å; Q387-Y469 PolarHBondContact NE2-O 2.95Å; L466-Y469 PolarHBondContact O-N 2.91Å; N467-Y469 PolarHBondContact O-N 3.06Å; Y469-N472 PolarHBondContact O-ND2 3Å
470R97.1Very high95.2Very high21 Ų2128.8 Ų28.88%0.07915%0.146CC..G310 helixtrans-98.49.9-167.9-66.1175-176.8158.8-4.2114.1I304 F386 E393 N467I304-R470 HydrophobicContact CD1-CB 4.49Å; I304-R470 HydrophobicContact CG1-CB 4.46Å; I304-R470 HydrophobicContact CG2-CB 3.55Å; I304-R470 WeakPolarHBondContact CG2-O 3.48Å; F386-R470 PolarHBondContact O-NE 3.48Å; F386-R470 PolarHBondContact O-NH2 2.85Å; F386-R470 VanDerWaalsContact O-NH2 3.1Å; E393-R470 VanDerWaalsContact CD-NH2 3.26Å; E393-R470 IonicContact OE1-CZ 3.57Å; E393-R470 VanDerWaalsContact OE1-CZ 3.28Å; E393-R470 IonicContact OE1-NH1 3Å; E393-R470 PolarHBondContact OE1-NH1 3.26Å; E393-R470 IonicContact OE1-NH2 3.18Å; E393-R470 PolarHBondContact OE1-NH2 3.39Å; E393-R470 IonicContact OE2-CZ 2.66Å; E393-R470 IonicContact OE2-NH2 2.59Å; E393-R470 PolarHBondContact OE2-NH2 3.11Å; N467-R470 PolarHBondContact O-N 2.98Å; N467-R470 WeakPolarHBondContact OD1-CD 3.45Å; N467-R470 PolarHBondContact OD1-NH1 3.11Å
471N95.9Very high95.4Very high7 Ų731.7 Ų31.74%0.03717%0.166CC..  trans-11015.9-175.4-76.9-83.1000114.3I304 Y307 N467 Q473 A474 N475I304-N471 PolarHBondContact O-ND2 3.33Å; I304-N471 PolarHBondContact O-OD1 2.84Å; Y307-N471 PolarHBondContact O-ND2 2.84Å; N467-N471 PolarHBondContact O-ND2 2.95Å; N471-Q473 PolarHBondContact O-N 3.31Å; N471-A474 PolarHBondContact O-N 3.47Å; N471-A474 VanDerWaalsContact O-N 3.09Å; N471-N475 WeakPolarHBondContact O-CB 3.27Å; N471-N475 PolarHBondContact O-N 3.13Å; N471-N475 PolarHBondContact O-ND2 3.23Å
472N91.3Very high94.9Very high27 Ų2734.6 Ų34.614%0.14418%0.176CC..Hα-helixtrans-47.9-50.1-173-71.8-33.2000114.3Y469 W476Y469-N472 PolarHBondContact O-ND2 3Å; N472-W476 WeakPolarHBondContact O-CB 3.26Å; N472-W476 PolarHBondContact O-N 3.28Å
473Q91.3Very high93.9Very high88 Ų8840.8 Ų40.841%0.41122%0.217SC..Hα-helixtrans-68.9-41.6-178.5-169.967.111.600112.4N471 K477N471-Q473 PolarHBondContact O-N 3.31Å; Q473-K477 WeakPolarHBondContact O-CB 3.36Å; Q473-K477 WeakPolarHBondContact O-CG 3.49Å; Q473-K477 PolarHBondContact O-N 3.45Å
474A93.8Very high92.8Very high46 Ų4639.3 Ų39.338%0.3822%0.219SC..Hα-helixtrans-66.8-45.7179.300000110.9N471 W476 K477 W478N471-A474 PolarHBondContact O-N 3.47Å; N471-A474 VanDerWaalsContact O-N 3.09Å; A474-W476 PolarHBondContact O-N 3.02Å; A474-K477 PolarHBondContact O-N 3.36Å; A474-W478 WeakPolarHBondContact O-CB 3.4Å; A474-W478 PolarHBondContact O-N 2.87Å
475N94.7Very high92.1Very high9 Ų941.6 Ų41.65%0.04824%0.242CC..Hα-helixtrans-59.8-47177.3-67.1-13.2000110.9S308 Q309 N471 W478 M479S308-N475 WeakPolarHBondContact CA-OD1 3.24Å; Q309-N475 HydrophobicContact CG-CB 4.37Å; Q309-N475 PolarHBondContact N-OD1 3.26Å; N471-N475 WeakPolarHBondContact O-CB 3.27Å; N471-N475 PolarHBondContact O-N 3.13Å; N471-N475 PolarHBondContact O-ND2 3.23Å; N475-W478 PolarHBondContact O-N 3.45Å; N475-M479 HydrophobicContact CB-CE 4.17Å; N475-M479 VanDerWaalsContact O-CB 3.31Å; N475-M479 WeakPolarHBondContact O-CB 3.42Å; N475-M479 WeakPolarHBondContact O-CE 3.45Å; N475-M479 VanDerWaalsContact O-CG 3.25Å; N475-M479 WeakPolarHBondContact O-CG 3.38Å; N475-M479 PolarHBondContact O-N 3.24Å
476W92.8Very high91.9Very high43 Ų4348 Ų4816%0.16327%0.27CS..Hα-helixtrans-60.6-50.3177.2175.172.3000112.5D365 K368 P369 P370 N472 A474 W478 M479 C480D365-W476 PolarHBondContact O-NE1 2.88Å; K368-W476 PolarHBondContact O-NE1 3.37Å; P369-W476 HydrophobicContact CB-CD2 4.15Å; P369-W476 HydrophobicContact CB-CE3 4.35Å; P369-W476 HydrophobicContact CB-CG 4.37Å; P370-W476 HydrophobicContact CG-CB 4.21Å; N472-W476 WeakPolarHBondContact O-CB 3.26Å; N472-W476 PolarHBondContact O-N 3.28Å; A474-W476 PolarHBondContact O-N 3.02Å; W476-W478 VanDerWaalsContact C-N 3.31Å; W476-W478 PolarHBondContact O-N 2.87Å; W476-M479 PolarHBondContact O-N 2.66Å; W476-C480 WeakPolarHBondContact O-CB 3.24Å; W476-C480 PolarHBondContact O-N 3.39Å; W476-C480 PolarHBondContact O-SG 2.59Å
477K93.6Very high91.8Very high124 Ų12448 Ų4854%0.53927%0.271SS..Hα-helixtrans-57.8-44.1178.8-76.8-179179.3-178.60112.2Q473 A474 S481Q473-K477 WeakPolarHBondContact O-CB 3.36Å; Q473-K477 WeakPolarHBondContact O-CG 3.49Å; Q473-K477 PolarHBondContact O-N 3.45Å; A474-K477 PolarHBondContact O-N 3.36Å; K477-S481 WeakPolarHBondContact O-CB 3.32Å; K477-S481 PolarHBondContact O-N 3.02Å; K477-S481 VanDerWaalsContact O-N 3.15Å
478W94.9Very high91.6Very high17 Ų1751 Ų516%0.06430%0.295CS..Hα-helixtrans-68-45.8179.4173.978.7000111.8Q309 E310 T342 Y346 F347 A474 N475 W476 C480 S481Q309-W478 HydrophobicContact CB-CE3 4.42Å; Q309-W478 HydrophobicContact CB-CZ3 4.16Å; E310-W478 HydrophobicContact CB-CD2 3.68Å; E310-W478 HydrophobicContact CB-CE3 4.25Å; E310-W478 HydrophobicContact CB-CG 3.79Å; E310-W478 HydrophobicContact CB-CZ2 4.21Å; E310-W478 HydrophobicContact CG-CD2 4.22Å; E310-W478 HydrophobicContact CG-CG 4.19Å; E310-W478 HydrophobicContact CG-CZ2 4.29Å; E310-W478 VanDerWaalsContact OE2-CD1 3.28Å; T342-W478 HydrophobicContact CG2-CH2 3.71Å; T342-W478 HydrophobicContact CG2-CZ3 3.5Å; T342-W478 VanDerWaalsContact CG2-CZ3 3.5Å; Y346-W478 HydrophobicContact CD1-CH2 4.48Å; Y346-W478 AromaticContact CD2-CH2 3.56Å; Y346-W478 HydrophobicContact CD2-CH2 3.56Å; Y346-W478 HydrophobicContact CD2-CZ2 4.42Å; Y346-W478 AromaticContact CD2-CZ3 3.85Å; Y346-W478 HydrophobicContact CD2-CZ3 3.85Å; Y346-W478 HydrophobicContact CE2-CH2 4.12Å; Y346-W478 AromaticContact CE2-CZ3 3.94Å; Y346-W478 HydrophobicContact CE2-CZ3 3.94Å; Y346-W478 AromaticContact CG-CH2 3.78Å; Y346-W478 HydrophobicContact CG-CH2 3.78Å; Y346-W478 HydrophobicContact CG-CZ2 4.22Å; Y346-W478 HydrophobicContact CG-CZ3 4.43Å; F347-W478 HydrophobicContact CE2-CH2 4.42Å; F347-W478 HydrophobicContact CE2-CZ2 4.27Å; F347-W478 HydrophobicContact CZ-CZ2 4.49Å; A474-W478 WeakPolarHBondContact O-CB 3.4Å; A474-W478 PolarHBondContact O-N 2.87Å; N475-W478 PolarHBondContact O-N 3.45Å; W476-W478 VanDerWaalsContact C-N 3.31Å; W476-W478 PolarHBondContact O-N 2.87Å; W478-C480 VanDerWaalsContact C-N 3.3Å; W478-C480 PolarHBondContact O-N 3.07Å; W478-S481 PolarHBondContact O-N 2.79Å; W478-S481 PolarHBondContact O-OG 3.48Å
479M92.3Very high91.6Very high28 Ų2852.1 Ų52.114%0.13830%0.301CS..Hα-helixtrans-63.2-35.8179.2-75.6-170.2-7200112.8Y346 P364 N475 W476Y346-M479 HydrophobicContact CE2-CG 3.98Å; Y346-M479 WeakPolarHBondContact OH-CA 3.38Å; Y346-M479 VanDerWaalsContact OH-CB 3.25Å; Y346-M479 WeakPolarHBondContact OH-CB 3.39Å; Y346-M479 PolarHBondContact OH-O 3.17Å; P364-M479 HydrophobicContact CB-CB 3.95Å; P364-M479 HydrophobicContact CB-CE 4.49Å; P364-M479 HydrophobicContact CG-CB 4.02Å; N475-M479 HydrophobicContact CB-CE 4.17Å; N475-M479 VanDerWaalsContact O-CB 3.31Å; N475-M479 WeakPolarHBondContact O-CB 3.42Å; N475-M479 WeakPolarHBondContact O-CE 3.45Å; N475-M479 VanDerWaalsContact O-CG 3.25Å; N475-M479 WeakPolarHBondContact O-CG 3.38Å; N475-M479 PolarHBondContact O-N 3.24Å; W476-M479 PolarHBondContact O-N 2.66Å
480C91.7Very high91.7Very high47 Ų4754.3 Ų54.332%0.31832%0.316SS..Hα-helixtrans-80-14.6177.6-70.30000114.1W476 W478 Q482W476-C480 WeakPolarHBondContact O-CB 3.24Å; W476-C480 PolarHBondContact O-N 3.39Å; W476-C480 PolarHBondContact O-SG 2.59Å; W478-C480 VanDerWaalsContact C-N 3.3Å; W478-C480 PolarHBondContact O-N 3.07Å; C480-Q482 VanDerWaalsContact C-N 3.26Å; C480-Q482 PolarHBondContact O-N 3.48Å
481S91.3Very high91.8Very high86 Ų8653.3 Ų53.360%0.60131%0.312SS*.THydrogen-bonded Turntrans-80.9-7-178.173.40000113.6K477 W478K477-S481 WeakPolarHBondContact O-CB 3.32Å; K477-S481 PolarHBondContact O-N 3.02Å; K477-S481 VanDerWaalsContact O-N 3.15Å; W478-S481 PolarHBondContact O-N 2.79Å; W478-S481 PolarHBondContact O-OG 3.48Å
482Q84.6Confident91.9Very high73 Ų7353.2 Ų53.234%0.34131%0.311SS..SBendtrans-123.5143-176.2-53.3-167.47.400110.8Y346 C480 T484Y346-Q482 HydrophobicContact CD1-CB 4.25Å; Y346-Q482 HydrophobicContact CE1-CB 3.97Å; C480-Q482 VanDerWaalsContact C-N 3.26Å; C480-Q482 PolarHBondContact O-N 3.48Å; Q482-T484 PolarHBondContact O-N 3.21Å
483P79.1Confident92.3Very high131 Ų13152 Ų5285%0.85130%0.304SS*.  trans-64.7129.3174.127.5-32.8000109.7
484T75.8Confident92.6Very high70 Ų7047.8 Ų47.843%0.42929%0.285SS..  trans-103.7118177.858.80000110.2R345 Y346 Q482R345-T484 HydrophobicContact CG-CG2 4.23Å; Y346-T484 HydrophobicContact CE1-CG2 3.86Å; Y346-T484 WeakPolarHBondContact OH-CG2 3.37Å; Q482-T484 PolarHBondContact O-N 3.21Å
485G82.5Confident92.9Very high51 Ų5146.2 Ų46.253%0.52627%0.27SS..  trans-87.8-174170.500000113
486K93.8Very high93Very high134 Ų13445.8 Ų45.858%0.58327%0.268SS*.  trans-74.3147.8168.7-64.5-169.1177.5-1530110.6A488 D512 L513 P515K486-A488 PolarHBondContact O-N 3.26Å; K486-D512 WeakPolarHBondContact CE-O 3.46Å; K486-D512 PolarHBondContact NZ-O 2.77Å; K486-L513 CarbonylContact C-O 3.45Å; K486-L513 VanDerWaalsContact CA-O 3.25Å; K486-L513 WeakPolarHBondContact CA-O 3.37Å; K486-L513 WeakPolarHBondContact CB-O 3.32Å; K486-P515 HydrophobicContact CB-CG 4.47Å; K486-P515 HydrophobicContact CD-CG 4.26Å
487I96.5Very high93.3Very high2 Ų248 Ų481%0.0128%0.28CS..  trans-82.599.9172.3-61.8-176.8000107.4W341 A344 R345 V354 L361 M489 L513 V514 P515W341-I487 HydrophobicContact CE3-CD1 3.87Å; W341-I487 HydrophobicContact CZ3-CD1 4.34Å; A344-I487 HydrophobicContact CB-CD1 4.3Å; A344-I487 HydrophobicContact CB-CG2 4.1Å; R345-I487 HydrophobicContact CB-CD1 4.37Å; R345-I487 HydrophobicContact CB-CG1 4.48Å; V354-I487 HydrophobicContact CG1-CG2 4.28Å; L361-I487 HydrophobicContact CD1-CD1 4.06Å; L361-I487 HydrophobicContact CD2-CD1 3.8Å; I487-M489 HydrophobicContact CB-SD 4.34Å; I487-M489 HydrophobicContact CG2-CG 4.46Å; I487-M489 HydrophobicContact CG2-SD 3.27Å; I487-M489 WeakPolarHBondContact CG2-SD 3.07Å; I487-L513 PolarHBondContact N-O 2.95Å; I487-V514 HydrophobicContact CB-CB 4.47Å; I487-V514 HydrophobicContact CB-CG1 4.13Å; I487-V514 HydrophobicContact CB-CG2 4.07Å; I487-V514 HydrophobicContact CD1-CG2 4.24Å; I487-V514 HydrophobicContact CG1-CG2 4.47Å; I487-V514 HydrophobicContact CG2-CG1 4.11Å; I487-P515 WeakPolarHBondContact O-CD 3.27Å
488A96.2Very high93.4Very high63 Ų6346.7 Ų46.752%0.52128%0.275SS..  trans-94.6-17.4-168.800000114.8K486 N516K486-A488 PolarHBondContact O-N 3.26Å; A488-N516 PolarHBondContact O-ND2 3.22Å
489M97.7Very high93.4Very high25 Ų2546 Ų4612%0.12327%0.272CS..SBendtrans-68.8162.5173.965.5-72-73.200111.2A344 P348 I351 V354 I487 A491A344-M489 HydrophobicContact CB-SD 4.19Å; P348-M489 HydrophobicContact CB-CE 3.45Å; P348-M489 VanDerWaalsContact CB-CE 3.45Å; I351-M489 HydrophobicContact CB-CE 4.26Å; I351-M489 HydrophobicContact CG2-CG 4.33Å; V354-M489 HydrophobicContact CG1-CG 4.46Å; I487-M489 HydrophobicContact CB-SD 4.34Å; I487-M489 HydrophobicContact CG2-CG 4.46Å; I487-M489 HydrophobicContact CG2-SD 3.27Å; I487-M489 WeakPolarHBondContact CG2-SD 3.07Å; M489-A491 PolarHBondContact O-N 2.93Å
490P98.6Very high93.4Very high49 Ų4948.7 Ų48.732%0.31829%0.292SS..  trans-52.9128.9172.4-2736.4000111.3A353 V354 T548A353-P490 VanDerWaalsContact CA-O 3.26Å; A353-P490 WeakPolarHBondContact CA-O 3.38Å; A353-P490 HydrophobicContact CB-CB 4.11Å; A353-P490 WeakPolarHBondContact CB-O 3.36Å; V354-P490 PolarHBondContact N-O 2.73Å; P490-T548 HydrophobicContact CB-CG2 3.93Å; P490-T548 HydrophobicContact CG-CG2 4.13Å
491A98.8Very high93.4Very high0 Ų047 Ų470%028%0.28CS..EExtended strand (participates in β ladder)trans-132.3145.5-175.800000111.1W341 V354 M489 V514 N516 L517 S518W341-A491 HydrophobicContact CH2-CB 4.09Å; W341-A491 HydrophobicContact CZ3-CB 4.06Å; V354-A491 HydrophobicContact CG1-CB 3.85Å; V354-A491 CarbonylContact O-C 3.49Å; V354-A491 WeakPolarHBondContact O-CA 3.38Å; M489-A491 PolarHBondContact O-N 2.93Å; A491-V514 HydrophobicContact CB-CG1 3.37Å; A491-N516 PolarHBondContact N-O 2.89Å; A491-L517 HydrophobicContact CB-CD1 4.07Å; A491-S518 PolarHBondContact O-N 2.97Å
492L98.9Very high93.6Very high4 Ų443.4 Ų43.42%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-128.4128.2176174.967.1000110.6V354 A355 S356 V494 S518 I540 L541 W544V354-L492 PolarHBondContact O-N 3.44Å; A355-L492 CarbonylContact C-O 3.52Å; A355-L492 VanDerWaalsContact CA-O 3.27Å; A355-L492 WeakPolarHBondContact CA-O 3.39Å; A355-L492 HydrophobicContact CB-CB 3.84Å; A355-L492 HydrophobicContact CB-CD2 4.08Å; A355-L492 HydrophobicContact CB-CG 4.32Å; S356-L492 PolarHBondContact N-O 2.89Å; L492-V494 HydrophobicContact CD1-CG2 4.21Å; L492-V494 HydrophobicContact CD2-CG2 3.76Å; L492-V494 HydrophobicContact CG-CG2 3.79Å; L492-S518 WeakPolarHBondContact CA-O 3.43Å; L492-I540 HydrophobicContact CD1-CG2 4.46Å; L492-I540 HydrophobicContact CD2-CG2 3.98Å; L492-L541 HydrophobicContact CD2-CD2 4.03Å; L492-W544 HydrophobicContact CB-CD2 3.83Å; L492-W544 HydrophobicContact CB-CE3 4.39Å; L492-W544 HydrophobicContact CB-CG 4.09Å; L492-W544 HydrophobicContact CB-CZ2 4.03Å; L492-W544 HydrophobicContact CD1-CG 4.48Å; L492-W544 HydrophobicContact CD2-CB 3.98Å; L492-W544 HydrophobicContact CD2-CD2 3.87Å; L492-W544 HydrophobicContact CD2-CE3 4.05Å; L492-W544 HydrophobicContact CD2-CG 3.82Å; L492-W544 HydrophobicContact CG-CD2 4.43Å; L492-W544 HydrophobicContact CG-CG 4.35Å
493M98.9Very high94.1Very high1 Ų144.1 Ų44.11%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-109.4115.8167.5178.463.4-162.100109.6W341 N358 P360 T495 M510 L517 S518 R519 G520W341-M493 HydrophobicContact CZ2-SD 4.39Å; N358-M493 VanDerWaalsContact O-CE 3.24Å; N358-M493 WeakPolarHBondContact O-CE 3.23Å; P360-M493 HydrophobicContact CB-CE 4.2Å; M493-T495 HydrophobicContact CE-CG2 3.7Å; M493-T495 HydrophobicContact CG-CG2 4.25Å; M493-M510 HydrophobicContact CB-CE 4.01Å; M493-M510 HydrophobicContact CB-SD 4.48Å; M493-M510 HydrophobicContact CG-CE 4.11Å; M493-M510 HydrophobicContact CG-SD 4.01Å; M493-M510 HydrophobicContact SD-CE 4.1Å; M493-M510 HydrophobicContact SD-SD 4.1Å; M493-L517 HydrophobicContact CB-CD1 3.87Å; M493-L517 HydrophobicContact CB-CD2 4.46Å; M493-S518 PolarHBondContact N-O 3.38Å; M493-R519 WeakPolarHBondContact O-CA 3.4Å; M493-G520 PolarHBondContact O-N 3.28Å
494V98.9Very high95Very high1 Ų139.3 Ų39.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-103.2121.3173.3-1720000109.1S356 L357 N358 L492 G520 I522 I540S356-V494 PolarHBondContact O-N 3.04Å; L357-V494 HydrophobicContact CD2-CB 3.57Å; L357-V494 HydrophobicContact CD2-CG1 4.12Å; L357-V494 HydrophobicContact CD2-CG2 3.58Å; N358-V494 PolarHBondContact N-O 3.4Å; L492-V494 HydrophobicContact CD1-CG2 4.21Å; L492-V494 HydrophobicContact CD2-CG2 3.76Å; L492-V494 HydrophobicContact CG-CG2 3.79Å; V494-G520 WeakPolarHBondContact CA-O 3.42Å; V494-I522 HydrophobicContact CG1-CD1 3.91Å; V494-I522 HydrophobicContact CG1-CG1 4Å; V494-I540 HydrophobicContact CG1-CD1 4.27Å; V494-I540 HydrophobicContact CG2-CG2 3.8Å
495T98.8Very high96Very high12 Ų1238.8 Ų38.87%0.07423%0.231CC..EExtended strand (participates in β ladder)trans-103.5143.8178.151.80000110.9M493 P504 G520 H521 I522M493-T495 HydrophobicContact CE-CG2 3.7Å; M493-T495 HydrophobicContact CG-CG2 4.25Å; T495-P504 HydrophobicContact CG2-CB 4.13Å; T495-G520 PolarHBondContact N-O 3.19Å; T495-G520 PolarHBondContact OG1-O 3.03Å; T495-H521 WeakPolarHBondContact O-CA 3.44Å; T495-H521 PolarHBondContact OG1-ND1 2.97Å; T495-I522 PolarHBondContact O-N 3.21Å
496A98.4Very high96.6Very high0 Ų039.1 Ų39.10%022%0.22CC..EExtended strand (participates in β ladder)trans-111.2122.3175.600000109.1K498 D499 P504 C525 G526A496-K498 VanDerWaalsContact C-N 3.31Å; A496-K498 PolarHBondContact O-N 2.87Å; A496-D499 HydrophobicContact CB-CB 4.32Å; A496-D499 PolarHBondContact O-N 2.81Å; A496-P504 WeakPolarHBondContact O-CG 3.33Å; A496-C525 HydrophobicContact CB-CB 3.88Å; A496-G526 WeakPolarHBondContact CB-O 3.26Å
497E97.8Very high96.7Very high89 Ų8932.8 Ų32.842%0.41619%0.193SC..THydrogen-bonded Turntrans-57-41.8-170.2-173.2-167.6-169.400113.7I522 D524E497-I522 PolarHBondContact N-O 2.75Å; E497-D524 PolarHBondContact OE2-N 3.32Å
498K95.9Very high96.7Very high97 Ų9739.1 Ų39.142%0.42222%0.222SC..THydrogen-bonded Turntrans-105.819.7-172.6-59.1-174.3179.9172.30112.8A496 P500 D524 C525A496-K498 VanDerWaalsContact C-N 3.31Å; A496-K498 PolarHBondContact O-N 2.87Å; K498-P500 VanDerWaalsContact O-CD 3.32Å; K498-P500 WeakPolarHBondContact O-CD 3.32Å; K498-D524 WeakPolarHBondContact CE-OD1 3.27Å; K498-D524 IonicContact NZ-OD1 3.66Å; K498-D524 PolarHBondContact NZ-OD1 3.32Å; K498-C525 CarbonylContact C-O 3.55Å; K498-C525 VanDerWaalsContact CA-O 3.27Å; K498-C525 WeakPolarHBondContact CA-O 3.32Å; K498-C525 WeakPolarHBondContact CB-O 3.49Å; K498-C525 PolarHBondContact N-O 3.45Å
499D95.9Very high96.7Very high2 Ų238 Ų381%0.01122%0.216CC..  trans-62.6118.7168-169.6-44.9000109N358 A496 V501 L502 L503 C525 H527N358-D499 PolarHBondContact ND2-OD2 3.48Å; A496-D499 HydrophobicContact CB-CB 4.32Å; A496-D499 PolarHBondContact O-N 2.81Å; D499-V501 PolarHBondContact O-N 3.29Å; D499-V501 PolarHBondContact OD1-N 3.05Å; D499-L502 PolarHBondContact OD1-N 3.36Å; D499-L503 WeakPolarHBondContact O-CD2 3.35Å; D499-C525 PolarHBondContact N-O 3.26Å; D499-H527 IonicContact OD1-ND1 2.8Å; D499-H527 IonicContact OD2-CE1 3.78Å; D499-H527 IonicContact OD2-CG 2.72Å; D499-H527 IonicContact OD2-ND1 3.28Å; D499-H527 PolarHBondContact OD2-ND1 3.16Å
500P91.3Very high96.6Very high85 Ų8537.1 Ų37.155%0.55221%0.212SC*.SBendtrans-76.4-9.6-174.231.4-35.4000113.7K498K498-P500 VanDerWaalsContact O-CD 3.32Å; K498-P500 WeakPolarHBondContact O-CD 3.32Å
501V92.6Very high96.6Very high13 Ų1338.6 Ų38.68%0.07921%0.214CC..SBendtrans-121.6-52.6-174.5176.50000111F380 Y382 T422 D499 L503 M506F380-V501 HydrophobicContact CD1-CG1 4.26Å; F380-V501 HydrophobicContact CE1-CG1 3.69Å; F380-V501 HydrophobicContact CE2-CG1 4.45Å; F380-V501 HydrophobicContact CZ-CG1 3.8Å; Y382-V501 HydrophobicContact CE1-CG1 4.27Å; T422-V501 HydrophobicContact CG2-CG2 3.93Å; D499-V501 PolarHBondContact O-N 3.29Å; D499-V501 PolarHBondContact OD1-N 3.05Å; V501-L503 VanDerWaalsContact C-N 3.34Å; V501-L503 PolarHBondContact O-N 3.11Å; V501-M506 VanDerWaalsContact O-SD 3.4Å
502L94.6Very high96.4Very high9 Ų944.1 Ų44.15%0.04724%0.244CC..SBendtrans-93.966.6-177.4-59.2173.9000110.1N358 T359 F362 F380 D499N358-L502 HydrophobicContact CB-CB 4.24Å; N358-L502 HydrophobicContact CB-CD1 3.92Å; T359-L502 WeakPolarHBondContact OG1-CD1 3.42Å; F362-L502 HydrophobicContact CZ-CD2 4.49Å; F380-L502 HydrophobicContact CZ-CD2 4.46Å; D499-L502 PolarHBondContact OD1-N 3.36Å
503L95.6Very high96.2Very high88 Ų8846.8 Ų46.846%0.46126%0.258SS..  trans-58141.4-175.2-57173.1000111.2D499 V501 A505 M506D499-L503 WeakPolarHBondContact O-CD2 3.35Å; V501-L503 VanDerWaalsContact C-N 3.34Å; V501-L503 PolarHBondContact O-N 3.11Å; L503-A505 PolarHBondContact O-N 2.91Å; L503-M506 HydrophobicContact CB-CG 4.2Å; L503-M506 HydrophobicContact CB-SD 4.43Å; L503-M506 VanDerWaalsContact O-CB 3.3Å; L503-M506 WeakPolarHBondContact O-CB 3.37Å; L503-M506 WeakPolarHBondContact O-CG 3.47Å; L503-M506 PolarHBondContact O-N 2.94Å
504P97.6Very high96.2Very high30 Ų3046.8 Ų46.820%0.19526%0.258CS..G310 helixtrans-50.6-37176.5-29.534.7000113.9T495 A496 M506 S507T495-P504 HydrophobicContact CG2-CB 4.13Å; A496-P504 WeakPolarHBondContact O-CG 3.33Å; P504-M506 PolarHBondContact O-N 3.45Å; P504-M506 VanDerWaalsContact O-N 3.15Å; P504-S507 WeakPolarHBondContact O-CB 3.44Å; P504-S507 PolarHBondContact O-N 2.96Å; P504-S507 PolarHBondContact O-OG 2.82Å
505A96.3Very high96Very high59 Ų5950 Ų5049%0.48828%0.279SS..G310 helixtrans-60.4-22.9178.600000114.1L503 S507 H508L503-A505 PolarHBondContact O-N 2.91Å; A505-S507 PolarHBondContact O-N 2.85Å; A505-H508 WeakPolarHBondContact O-CB 3.4Å; A505-H508 PolarHBondContact O-N 3.33Å
506M94.9Very high96Very high58 Ų5853.9 Ų53.929%0.28630%0.299SS..G310 helixtrans-69.9-14.6175.6-60177.778.900112.6P360 F362 F380 V501 L503 P504P360-M506 HydrophobicContact CG-CB 3.88Å; F362-M506 HydrophobicContact CE1-CE 3.65Å; F362-M506 HydrophobicContact CZ-CE 3.61Å; F380-M506 HydrophobicContact CE2-CE 3.85Å; F380-M506 HydrophobicContact CZ-CE 3.83Å; V501-M506 VanDerWaalsContact O-SD 3.4Å; L503-M506 HydrophobicContact CB-CG 4.2Å; L503-M506 HydrophobicContact CB-SD 4.43Å; L503-M506 VanDerWaalsContact O-CB 3.3Å; L503-M506 WeakPolarHBondContact O-CB 3.37Å; L503-M506 WeakPolarHBondContact O-CG 3.47Å; L503-M506 PolarHBondContact O-N 2.94Å; P504-M506 PolarHBondContact O-N 3.45Å; P504-M506 VanDerWaalsContact O-N 3.15Å
507S96.8Very high96Very high2 Ų255.1 Ų55.11%0.01431%0.306CS..G310 helixtrans-92.1-1.5176.678.20000114.1P504 A505 M510 R519P504-S507 WeakPolarHBondContact O-CB 3.44Å; P504-S507 PolarHBondContact O-N 2.96Å; P504-S507 PolarHBondContact O-OG 2.82Å; A505-S507 PolarHBondContact O-N 2.85Å; S507-M510 VanDerWaalsContact O-CG 3.25Å; S507-M510 WeakPolarHBondContact O-CG 3.27Å; S507-M510 PolarHBondContact O-N 3.17Å; S507-R519 PolarHBondContact O-NH2 2.98Å; S507-R519 PolarHBondContact OG-NH1 2.89Å
508H95.9Very high96Very high135 Ų13553.1 Ų53.163%0.62530%0.302SS*.THydrogen-bonded Turntrans-64.9135.5179.8-68.7175.7000111.1A505 M510A505-H508 WeakPolarHBondContact O-CB 3.4Å; A505-H508 PolarHBondContact O-N 3.33Å; H508-M510 VanDerWaalsContact C-N 3.33Å
509G95.5Very high96.1Very high38 Ų3853 Ų5339%0.39230%0.298SS..THydrogen-bonded Turntrans80.57.4179.400000114.8E511 D512G509-E511 PolarHBondContact O-N 3Å; G509-D512 WeakPolarHBondContact O-CB 3.24Å; G509-D512 PolarHBondContact O-N 3.18Å
510M97.3Very high96.3Very high7 Ų753.3 Ų53.33%0.03430%0.302CS..G310 helixtrans-58.8-28.2175.5-80179.556.100112.8W341 P360 L361 M493 S507 H508 D512 L513 V514 L517W341-M510 HydrophobicContact CH2-CE 4.1Å; W341-M510 HydrophobicContact CZ2-CE 3.64Å; P360-M510 HydrophobicContact CB-SD 3.72Å; L361-M510 HydrophobicContact CB-CE 3.78Å; L361-M510 HydrophobicContact CB-CG 4.3Å; L361-M510 HydrophobicContact CB-SD 4.3Å; M493-M510 HydrophobicContact CB-CE 4.01Å; M493-M510 HydrophobicContact CB-SD 4.48Å; M493-M510 HydrophobicContact CG-CE 4.11Å; M493-M510 HydrophobicContact CG-SD 4.01Å; M493-M510 HydrophobicContact SD-CE 4.1Å; M493-M510 HydrophobicContact SD-SD 4.1Å; S507-M510 VanDerWaalsContact O-CG 3.25Å; S507-M510 WeakPolarHBondContact O-CG 3.27Å; S507-M510 PolarHBondContact O-N 3.17Å; H508-M510 VanDerWaalsContact C-N 3.33Å; M510-D512 PolarHBondContact O-N 2.83Å; M510-L513 PolarHBondContact O-N 3.09Å; M510-V514 PolarHBondContact O-N 3.45Å; M510-L517 HydrophobicContact CB-CD2 3.64Å; M510-L517 HydrophobicContact CE-CD1 4.28Å; M510-L517 HydrophobicContact CE-CD2 4.24Å
511E97.1Very high96.6Very high80 Ų8053.4 Ų53.437%0.37430%0.295SS..G310 helixtrans-56.8-28.9178.2-67.879.9-179.800113G509 L513 V514 L517 R519G509-E511 PolarHBondContact O-N 3Å; E511-L513 PolarHBondContact O-N 3.09Å; E511-V514 CarbonylContact O-C 3.49Å; E511-V514 PolarHBondContact O-N 2.78Å; E511-L517 HydrophobicContact CG-CD2 4.35Å; E511-R519 VanDerWaalsContact CD-NH2 3.29Å; E511-R519 IonicContact OE1-CZ 3.16Å; E511-R519 IonicContact OE1-NE 3.92Å; E511-R519 PolarHBondContact OE1-NE 3.48Å; E511-R519 IonicContact OE1-NH2 3.33Å; E511-R519 PolarHBondContact OE1-NH2 3.05Å; E511-R519 IonicContact OE2-NH2 3.85Å; E511-R519 PolarHBondContact OE2-NH2 3.2Å
512D95.1Very high96.9Very high117 Ų11753 Ų5363%0.62629%0.292SS*.G310 helixtrans-61.7-33.3177.6-69.3-25000111.7K486 G509 M510K486-D512 WeakPolarHBondContact CE-O 3.46Å; K486-D512 PolarHBondContact NZ-O 2.77Å; G509-D512 WeakPolarHBondContact O-CB 3.24Å; G509-D512 PolarHBondContact O-N 3.18Å; M510-D512 PolarHBondContact O-N 2.83Å
513L95.4Very high97Very high60 Ų6058.4 Ų58.431%0.31432%0.318SS..THydrogen-bonded Turntrans-105-19.5-177.1-61.2175.2000113L361 S363 K486 I487 M510 E511L361-L513 HydrophobicContact CD2-CB 4.01Å; L361-L513 HydrophobicContact CD2-CD1 4.28Å; S363-L513 WeakPolarHBondContact OG-CD1 3.33Å; K486-L513 CarbonylContact C-O 3.45Å; K486-L513 VanDerWaalsContact CA-O 3.25Å; K486-L513 WeakPolarHBondContact CA-O 3.37Å; K486-L513 WeakPolarHBondContact CB-O 3.32Å; I487-L513 PolarHBondContact N-O 2.95Å; M510-L513 PolarHBondContact O-N 3.09Å; E511-L513 PolarHBondContact O-N 3.09Å
514V97.7Very high96.9Very high0 Ų057.6 Ų57.60%031%0.314CS..  trans-129.880.5-176.8-165.70000108.5L361 I487 A491 M510 E511 N516 L517L361-V514 HydrophobicContact CD2-CG2 3.59Å; I487-V514 HydrophobicContact CB-CB 4.47Å; I487-V514 HydrophobicContact CB-CG1 4.13Å; I487-V514 HydrophobicContact CB-CG2 4.07Å; I487-V514 HydrophobicContact CD1-CG2 4.24Å; I487-V514 HydrophobicContact CG1-CG2 4.47Å; I487-V514 HydrophobicContact CG2-CG1 4.11Å; A491-V514 HydrophobicContact CB-CG1 3.37Å; M510-V514 PolarHBondContact O-N 3.45Å; E511-V514 CarbonylContact O-C 3.49Å; E511-V514 PolarHBondContact O-N 2.78Å; V514-N516 PolarHBondContact O-N 2.8Å; V514-L517 HydrophobicContact CB-CB 4.08Å; V514-L517 HydrophobicContact CB-CD1 4.49Å; V514-L517 HydrophobicContact CG1-CB 3.91Å; V514-L517 HydrophobicContact CG1-CD1 4.08Å; V514-L517 VanDerWaalsContact O-CB 3.24Å; V514-L517 WeakPolarHBondContact O-CB 3.35Å; V514-L517 PolarHBondContact O-N 3.06Å
515P96.4Very high96.9Very high69 Ų6956.2 Ų56.245%0.44830%0.304SS..THydrogen-bonded Turntrans-63.8-25.2-172.723.1-34.7000114K486 I487K486-P515 HydrophobicContact CB-CG 4.47Å; K486-P515 HydrophobicContact CD-CG 4.26Å; I487-P515 WeakPolarHBondContact O-CD 3.27Å
516N97.1Very high96.9Very high93 Ų9353.6 Ų53.650%0.49728%0.284SS..THydrogen-bonded Turntrans-104.440.8179.1-63.5-33.9000111.5A488 A491 V514A488-N516 PolarHBondContact O-ND2 3.22Å; A491-N516 PolarHBondContact N-O 2.89Å; V514-N516 PolarHBondContact O-N 2.8Å
517L98.5Very high97Very high27 Ų2752.3 Ų52.314%0.14128%0.277CS..EExtended strand (participates in β ladder)trans-83.2118.1-179.3-17567000111.6W341 A491 M493 M510 E511 V514W341-L517 HydrophobicContact CH2-CD1 4.29Å; A491-L517 HydrophobicContact CB-CD1 4.07Å; M493-L517 HydrophobicContact CB-CD1 3.87Å; M493-L517 HydrophobicContact CB-CD2 4.46Å; M510-L517 HydrophobicContact CB-CD2 3.64Å; M510-L517 HydrophobicContact CE-CD1 4.28Å; M510-L517 HydrophobicContact CE-CD2 4.24Å; E511-L517 HydrophobicContact CG-CD2 4.35Å; V514-L517 HydrophobicContact CB-CB 4.08Å; V514-L517 HydrophobicContact CB-CD1 4.49Å; V514-L517 HydrophobicContact CG1-CB 3.91Å; V514-L517 HydrophobicContact CG1-CD1 4.08Å; V514-L517 VanDerWaalsContact O-CB 3.24Å; V514-L517 WeakPolarHBondContact O-CB 3.35Å; V514-L517 PolarHBondContact O-N 3.06Å
518S98.6Very high97Very high47 Ų4753 Ų5333%0.32928%0.279SS..EExtended strand (participates in β ladder)trans-87.1154.2160.9-59.50000110.2A491 L492 M493A491-S518 PolarHBondContact O-N 2.97Å; L492-S518 WeakPolarHBondContact CA-O 3.43Å; M493-S518 PolarHBondContact N-O 3.38Å
519R98.5Very high97.1Very high93 Ų9346.6 Ų46.635%0.35125%0.25SC..EExtended strand (participates in β ladder)trans-123.9139.3177-71.3-177175.8-88.30.7111.7M493 S507 E511M493-R519 WeakPolarHBondContact O-CA 3.4Å; S507-R519 PolarHBondContact O-NH2 2.98Å; S507-R519 PolarHBondContact OG-NH1 2.89Å; E511-R519 VanDerWaalsContact CD-NH2 3.29Å; E511-R519 IonicContact OE1-CZ 3.16Å; E511-R519 IonicContact OE1-NE 3.92Å; E511-R519 PolarHBondContact OE1-NE 3.48Å; E511-R519 IonicContact OE1-NH2 3.33Å; E511-R519 PolarHBondContact OE1-NH2 3.05Å; E511-R519 IonicContact OE2-NH2 3.85Å; E511-R519 PolarHBondContact OE2-NH2 3.2Å
520G98.5Very high97.2Very high9 Ų944.8 Ų44.89%0.09323%0.231CC..EExtended strand (participates in β ladder)trans-115.2149.216000000109.6M493 V494 T495M493-G520 PolarHBondContact O-N 3.28Å; V494-G520 WeakPolarHBondContact CA-O 3.42Å; T495-G520 PolarHBondContact N-O 3.19Å; T495-G520 PolarHBondContact OG1-O 3.03Å
521H98.5Very high97.1Very high87 Ų8744.9 Ų44.940%0.40323%0.231SC..EExtended strand (participates in β ladder)trans-135.1136.4171-17565000108.8T495T495-H521 WeakPolarHBondContact O-CA 3.44Å; T495-H521 PolarHBondContact OG1-ND1 2.97Å
522I98.3Very high97.1Very high5 Ų541.6 Ų41.63%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-122.4109.6178.1-49.4179.4000108.3V494 T495 E497 C525 T529 K533 E536 I540V494-I522 HydrophobicContact CG1-CD1 3.91Å; V494-I522 HydrophobicContact CG1-CG1 4Å; T495-I522 PolarHBondContact O-N 3.21Å; E497-I522 PolarHBondContact N-O 2.75Å; I522-C525 HydrophobicContact CB-CB 3.88Å; I522-C525 HydrophobicContact CG2-CB 3.66Å; I522-C525 WeakPolarHBondContact O-CB 3.25Å; I522-T529 HydrophobicContact CD1-CG2 3.75Å; I522-K533 HydrophobicContact CG2-CB 3.63Å; I522-K533 HydrophobicContact CG2-CD 4.46Å; I522-K533 HydrophobicContact CG2-CG 3.65Å; I522-E536 HydrophobicContact CD1-CB 4.32Å; I522-E536 HydrophobicContact CG1-CB 4.48Å; I522-E536 HydrophobicContact CG2-CB 3.99Å; I522-E536 HydrophobicContact CG2-CG 4.41Å; I522-I540 HydrophobicContact CD1-CD1 4.01Å; I522-I540 HydrophobicContact CG1-CD1 3.64Å
523E96.8Very high97Very high123 Ų12336.9 Ų36.958%0.57519%0.19SC*.THydrogen-bonded Turntrans-67.1151.5174-64180178.300110.9C525 K533E523-C525 PolarHBondContact O-N 3.31Å; E523-C525 VanDerWaalsContact O-N 3.09Å; E523-K533 WeakPolarHBondContact O-CE 3.25Å
524D94.8Very high97Very high71 Ų7134.6 Ų34.638%0.3818%0.179SC..THydrogen-bonded Turntrans49.837.7-179.9-66.2-49.2000113S411 E497 K498 K533S411-D524 PolarHBondContact OG-O 3.41Å; E497-D524 PolarHBondContact OE2-N 3.32Å; K498-D524 WeakPolarHBondContact CE-OD1 3.27Å; K498-D524 IonicContact NZ-OD1 3.66Å; K498-D524 PolarHBondContact NZ-OD1 3.32Å; D524-K533 WeakPolarHBondContact O-CE 3.33Å
525C96.7Very high96.7Very high0 Ų036.4 Ų36.40%019%0.194CC..  trans-115.9128.4-178.6-169.90000110.9A496 K498 D499 I522 E523 K533A496-C525 HydrophobicContact CB-CB 3.88Å; K498-C525 CarbonylContact C-O 3.55Å; K498-C525 VanDerWaalsContact CA-O 3.27Å; K498-C525 WeakPolarHBondContact CA-O 3.32Å; K498-C525 WeakPolarHBondContact CB-O 3.49Å; K498-C525 PolarHBondContact N-O 3.45Å; D499-C525 PolarHBondContact N-O 3.26Å; I522-C525 HydrophobicContact CB-CB 3.88Å; I522-C525 HydrophobicContact CG2-CB 3.66Å; I522-C525 WeakPolarHBondContact O-CB 3.25Å; E523-C525 PolarHBondContact O-N 3.31Å; E523-C525 VanDerWaalsContact O-N 3.09Å; C525-K533 HydrophobicContact CB-CG 3.77Å
526G95.9Very high96.7Very high5 Ų536.3 Ų36.35%0.05219%0.187CC..  trans-84.4-160.2174.100000113S411 A496 T529 D532S411-G526 PolarHBondContact OG-N 3.41Å; A496-G526 WeakPolarHBondContact CB-O 3.26Å; G526-T529 PolarHBondContact O-OG1 3.28Å; G526-D532 PolarHBondContact N-OD2 3.42Å
527H97.2Very high96.7Very high30 Ų3031.9 Ų31.914%0.13916%0.164CC..SBendtrans-66.9-37.6-177.5-173.167.5000113.6H333 D334 N358 D499 T529H333-H527 PolarHBondContact NE2-O 3.08Å; D334-H527 IonicContact OD2-CE1 2.83Å; D334-H527 IonicContact OD2-NE2 2.61Å; N358-H527 PolarHBondContact ND2-O 3.07Å; D499-H527 IonicContact OD1-ND1 2.8Å; D499-H527 IonicContact OD2-CE1 3.78Å; D499-H527 IonicContact OD2-CG 2.72Å; D499-H527 IonicContact OD2-ND1 3.28Å; D499-H527 PolarHBondContact OD2-ND1 3.16Å; H527-T529 PolarHBondContact O-N 2.9Å; H527-T529 PolarHBondContact O-OG1 3.06Å
528W97.7Very high96.7Very high18 Ų1831 Ų317%0.06816%0.159CC..  trans-85.855.8-173.6-48.3107.4000112.4F266 E268 F407 F408 M444 Q530 M531 D532F266-W528 WeakPolarHBondContact O-CH2 3.27Å; E268-W528 HydrophobicContact CG-CE3 4.21Å; E268-W528 HydrophobicContact CG-CZ3 3.65Å; F407-W528 HydrophobicContact CB-CH2 4.35Å; F407-W528 HydrophobicContact CB-CZ2 3.71Å; F407-W528 HydrophobicContact CD1-CZ2 4.38Å; F407-W528 HydrophobicContact CG-CZ2 4.3Å; F407-W528 PolarHBondContact O-NE1 2.69Å; F408-W528 AromaticContact CD1-CD2 3.54Å; F408-W528 HydrophobicContact CD1-CD2 3.54Å; F408-W528 AromaticContact CD1-CE2 3.64Å; F408-W528 AromaticContact CD1-CE3 3.79Å; F408-W528 HydrophobicContact CD1-CE3 3.79Å; F408-W528 HydrophobicContact CD1-CG 4Å; F408-W528 HydrophobicContact CD1-CH2 4.19Å; F408-W528 AromaticContact CD1-CZ2 3.96Å; F408-W528 HydrophobicContact CD1-CZ2 3.96Å; F408-W528 HydrophobicContact CD1-CZ3 4.12Å; F408-W528 AromaticContact CE1-CD2 3.85Å; F408-W528 HydrophobicContact CE1-CD2 3.85Å; F408-W528 AromaticContact CE1-CE3 3.57Å; F408-W528 HydrophobicContact CE1-CE3 3.57Å; F408-W528 AromaticContact CE1-CH2 3.81Å; F408-W528 HydrophobicContact CE1-CH2 3.81Å; F408-W528 HydrophobicContact CE1-CZ2 4.06Å; F408-W528 AromaticContact CE1-CZ3 3.57Å; F408-W528 HydrophobicContact CE1-CZ3 3.57Å; M444-W528 HydrophobicContact CE-CB 3.87Å; M444-W528 HydrophobicContact CE-CG 4.48Å; M444-W528 HydrophobicContact SD-CB 3.78Å; M444-W528 HydrophobicContact SD-CG 4.22Å; W528-Q530 VanDerWaalsContact C-N 3.31Å; W528-Q530 PolarHBondContact O-N 3.21Å; W528-Q530 VanDerWaalsContact O-N 3.17Å; W528-M531 CarbonylContact O-C 3.35Å; W528-M531 PolarHBondContact O-N 3.15Å; W528-D532 PolarHBondContact O-N 2.86Å
529T98.3Very high96.6Very high0 Ų034.1 Ų34.10%017%0.172CC..Hα-helixtrans-50.2-44.4-165.8-600000114.5L357 N358 I522 G526 H527 M531 D532 K533 T537L357-T529 HydrophobicContact CD1-CG2 4.35Å; N358-T529 VanDerWaalsContact CG-OG1 3.22Å; N358-T529 PolarHBondContact ND2-OG1 2.7Å; N358-T529 WeakPolarHBondContact OD1-CB 3.39Å; N358-T529 PolarHBondContact OD1-OG1 2.98Å; I522-T529 HydrophobicContact CD1-CG2 3.75Å; G526-T529 PolarHBondContact O-OG1 3.28Å; H527-T529 PolarHBondContact O-N 2.9Å; H527-T529 PolarHBondContact O-OG1 3.06Å; T529-M531 PolarHBondContact O-N 3.13Å; T529-M531 VanDerWaalsContact O-N 3.11Å; T529-D532 PolarHBondContact O-N 3Å; T529-K533 PolarHBondContact O-N 3.36Å; T529-K533 VanDerWaalsContact O-N 3.13Å; T529-T537 PolarHBondContact O-OG1 3.06Å
530Q97.7Very high96.6Very high0 Ų031.5 Ų31.50%017%0.165CC..Hα-helixtrans-58.1-28.4-179.6-54.295.6-44.900113.1S272 W273 Q276 H333 L357 W528 P534S272-Q530 VanDerWaalsContact O-CB 3.3Å; S272-Q530 WeakPolarHBondContact O-CB 3.37Å; W273-Q530 HydrophobicContact CD2-CG 4.03Å; W273-Q530 HydrophobicContact CE3-CB 4.42Å; W273-Q530 HydrophobicContact CE3-CG 3.54Å; W273-Q530 HydrophobicContact CH2-CG 3.76Å; W273-Q530 HydrophobicContact CZ2-CG 4.22Å; W273-Q530 HydrophobicContact CZ3-CG 3.4Å; Q276-Q530 PolarHBondContact NE2-O 2.89Å; Q276-Q530 VanDerWaalsContact NE2-O 3.14Å; H333-Q530 PolarHBondContact ND1-NE2 2.95Å; H333-Q530 VanDerWaalsContact ND1-NE2 3.13Å; L357-Q530 HydrophobicContact CD1-CG 3.88Å; W528-Q530 VanDerWaalsContact C-N 3.31Å; W528-Q530 PolarHBondContact O-N 3.21Å; W528-Q530 VanDerWaalsContact O-N 3.17Å; Q530-P534 WeakPolarHBondContact O-CA 3.38Å; Q530-P534 WeakPolarHBondContact O-CB 3.37Å
531M95.4Very high96.6Very high9 Ų931 Ų314%0.04416%0.16CC..Hα-helixtrans-111.6-26.2-174.4-63.3170.139.800113R274 F408 M444 L445 Y453 W528 T529R274-M531 PolarHBondContact NH1-SD 2.96Å; R274-M531 VanDerWaalsContact NH2-CE 3.29Å; F408-M531 HydrophobicContact CG-CE 4.37Å; M444-M531 HydrophobicContact CG-CB 3.59Å; M444-M531 HydrophobicContact CG-CE 3.59Å; M444-M531 HydrophobicContact SD-CB 3.87Å; M444-M531 HydrophobicContact SD-CE 3.73Å; L445-M531 HydrophobicContact CD2-CE 3.56Å; L445-M531 HydrophobicContact CG-CE 4.49Å; Y453-M531 PolarHBondContact OH-SD 3.43Å; W528-M531 CarbonylContact O-C 3.35Å; W528-M531 PolarHBondContact O-N 3.15Å; T529-M531 PolarHBondContact O-N 3.13Å; T529-M531 VanDerWaalsContact O-N 3.11Å
532D95.1Very high96.5Very high10 Ų1028 Ų285%0.05315%0.147CC..Hα-helixtrans-75.3-44.4177.6-156.34.2000110.9S410 S411 M444 G526 W528 T529 P534S410-D532 VanDerWaalsContact CB-OD1 3.31Å; S410-D532 WeakPolarHBondContact CB-OD1 3.48Å; S410-D532 PolarHBondContact OG-OD1 2.83Å; S411-D532 WeakPolarHBondContact CB-OD2 3.3Å; S411-D532 PolarHBondContact N-OD2 2.7Å; S411-D532 VanDerWaalsContact N-OD2 3.1Å; S411-D532 PolarHBondContact OG-OD2 3Å; M444-D532 HydrophobicContact CE-CB 3.59Å; G526-D532 PolarHBondContact N-OD2 3.42Å; W528-D532 PolarHBondContact O-N 2.86Å; T529-D532 PolarHBondContact O-N 3Å; D532-P534 VanDerWaalsContact C-CD 3.43Å
533K94.9Very high96.5Very high18 Ų1830.8 Ų30.88%0.07817%0.167CC..SBendtrans-132.261.3-177.7-63.1-67.5-164.6149.50110.9I522 E523 D524 C525 T529 A535 E536 T537I522-K533 HydrophobicContact CG2-CB 3.63Å; I522-K533 HydrophobicContact CG2-CD 4.46Å; I522-K533 HydrophobicContact CG2-CG 3.65Å; E523-K533 WeakPolarHBondContact O-CE 3.25Å; D524-K533 WeakPolarHBondContact O-CE 3.33Å; C525-K533 HydrophobicContact CB-CG 3.77Å; T529-K533 PolarHBondContact O-N 3.36Å; T529-K533 VanDerWaalsContact O-N 3.13Å; K533-A535 VanDerWaalsContact C-N 3.34Å; K533-A535 PolarHBondContact O-N 3.31Å; K533-E536 WeakPolarHBondContact CA-OE2 3.38Å; K533-E536 HydrophobicContact CB-CB 4.29Å; K533-E536 WeakPolarHBondContact CB-OE2 3.47Å; K533-E536 IonicContact NZ-OE1 3.26Å; K533-E536 PolarHBondContact O-N 3.45Å; K533-T537 VanDerWaalsContact O-CB 3.31Å; K533-T537 WeakPolarHBondContact O-CB 3.48Å; K533-T537 PolarHBondContact O-N 3.27Å; K533-T537 PolarHBondContact O-OG1 3.45Å
534P94.8Very high96.6Very high12 Ų1225.3 Ų25.38%0.07814%0.141CC..Hα-helixtrans-63.3-36.6-172.423.2-33.8000113.1P227 P228 Y275 Q530 D532 N538P227-P534 HydrophobicContact CB-CG 4.4Å; P228-P534 VanDerWaalsContact CD-CG 3.48Å; P228-P534 HydrophobicContact CG-CB 3.93Å; P228-P534 HydrophobicContact CG-CG 4.23Å; Y275-P534 HydrophobicContact CD1-CB 4.29Å; Y275-P534 HydrophobicContact CD2-CB 3.8Å; Y275-P534 HydrophobicContact CD2-CG 4.32Å; Y275-P534 HydrophobicContact CG-CB 3.64Å; Y275-P534 HydrophobicContact CG-CG 4.34Å; Q530-P534 WeakPolarHBondContact O-CA 3.38Å; Q530-P534 WeakPolarHBondContact O-CB 3.37Å; D532-P534 VanDerWaalsContact C-CD 3.43Å; P534-N538 WeakPolarHBondContact O-CB 3.24Å; P534-N538 PolarHBondContact O-N 3.04Å; P534-N538 PolarHBondContact O-ND2 3.44Å; P534-N538 PolarHBondContact O-OD1 2.96Å
535A91.8Very high96.7Very high39 Ų3922 Ų2232%0.32212%0.123SC..Hα-helixtrans-68.9-47.1-178.600000111.4P228 K533 N538 N539P228-A535 HydrophobicContact CG-CB 3.86Å; K533-A535 VanDerWaalsContact C-N 3.34Å; K533-A535 PolarHBondContact O-N 3.31Å; A535-N538 PolarHBondContact O-N 3.18Å; A535-N539 WeakPolarHBondContact O-CB 3.25Å; A535-N539 PolarHBondContact O-N 2.9Å; A535-N539 PolarHBondContact O-ND2 3.08Å
536E95.5Very high96.6Very high66 Ų6629.2 Ų29.231%0.30815%0.15SC..Hα-helixtrans-63.1-43.6176.9-60.189.3152.900110.8I522 K533 N538 N539 I540I522-E536 HydrophobicContact CD1-CB 4.32Å; I522-E536 HydrophobicContact CG1-CB 4.48Å; I522-E536 HydrophobicContact CG2-CB 3.99Å; I522-E536 HydrophobicContact CG2-CG 4.41Å; K533-E536 WeakPolarHBondContact CA-OE2 3.38Å; K533-E536 HydrophobicContact CB-CB 4.29Å; K533-E536 WeakPolarHBondContact CB-OE2 3.47Å; K533-E536 IonicContact NZ-OE1 3.26Å; K533-E536 PolarHBondContact O-N 3.45Å; E536-N538 PolarHBondContact O-N 3.35Å; E536-N539 PolarHBondContact O-N 3.46Å; E536-I540 WeakPolarHBondContact O-CG1 3.34Å; E536-I540 PolarHBondContact O-N 2.85Å
537T98.2Very high96.6Very high1 Ų135.2 Ų35.21%0.00618%0.177CC..Hα-helixtrans-58.1-48.1173.8-590000111.3Q276 L357 T529 K533 N539 I540 L541Q276-T537 HydrophobicContact CG-CG2 4.16Å; L357-T537 HydrophobicContact CD1-CG2 3.95Å; T529-T537 PolarHBondContact O-OG1 3.06Å; K533-T537 VanDerWaalsContact O-CB 3.31Å; K533-T537 WeakPolarHBondContact O-CB 3.48Å; K533-T537 PolarHBondContact O-N 3.27Å; K533-T537 PolarHBondContact O-OG1 3.45Å; T537-N539 PolarHBondContact O-N 3.2Å; T537-I540 PolarHBondContact O-N 2.91Å; T537-L541 HydrophobicContact CG2-CD1 3.94Å; T537-L541 HydrophobicContact CG2-CG 4.45Å; T537-L541 WeakPolarHBondContact O-CB 3.25Å; T537-L541 WeakPolarHBondContact O-CG 3.4Å; T537-L541 PolarHBondContact O-N 3.15Å
538N97.5Very high96.5Very high7 Ų734.8 Ų34.84%0.03718%0.176CC..Hα-helixtrans-60.8-46.2178.3-71.8-4.1000111.4Y275 Q276 A279 P534 A535 E536 I540 L541 I542Y275-N538 PolarHBondContact O-ND2 3.31Å; Y275-N538 PolarHBondContact O-OD1 3.34Å; Q276-N538 WeakPolarHBondContact CA-OD1 3.25Å; Q276-N538 WeakPolarHBondContact CG-OD1 3.31Å; Q276-N538 PolarHBondContact NE2-OD1 3.14Å; A279-N538 HydrophobicContact CB-CB 4.19Å; A279-N538 WeakPolarHBondContact CB-ND2 3.45Å; P534-N538 WeakPolarHBondContact O-CB 3.24Å; P534-N538 PolarHBondContact O-N 3.04Å; P534-N538 PolarHBondContact O-ND2 3.44Å; P534-N538 PolarHBondContact O-OD1 2.96Å; A535-N538 PolarHBondContact O-N 3.18Å; E536-N538 PolarHBondContact O-N 3.35Å; N538-I540 PolarHBondContact O-N 3.32Å; N538-L541 PolarHBondContact O-N 3.28Å; N538-I542 HydrophobicContact CB-CD1 4.39Å; N538-I542 VanDerWaalsContact O-CB 3.29Å; N538-I542 WeakPolarHBondContact O-CB 3.4Å; N538-I542 WeakPolarHBondContact O-CD1 3.4Å; N538-I542 WeakPolarHBondContact O-CG1 3.29Å; N538-I542 PolarHBondContact O-N 2.85Å
539N95.6Very high96.2Very high113 Ų11336.1 Ų36.160%0.60418%0.183SC*.Hα-helixtrans-60.8-47.2-179-71.3-19.5000111.9A535 E536 T537 S543A535-N539 WeakPolarHBondContact O-CB 3.25Å; A535-N539 PolarHBondContact O-N 2.9Å; A535-N539 PolarHBondContact O-ND2 3.08Å; E536-N539 PolarHBondContact O-N 3.46Å; T537-N539 PolarHBondContact O-N 3.2Å; N539-S543 WeakPolarHBondContact O-CB 3.2Å; N539-S543 PolarHBondContact O-N 3.36Å
540I98.6Very high95.3Very high38 Ų3837.8 Ų37.820%0.19520%0.201CC..Hα-helixtrans-61-50.2178.4-70.3167.9000110.5L492 V494 I522 E536 T537 N538 W544L492-I540 HydrophobicContact CD1-CG2 4.46Å; L492-I540 HydrophobicContact CD2-CG2 3.98Å; V494-I540 HydrophobicContact CG1-CD1 4.27Å; V494-I540 HydrophobicContact CG2-CG2 3.8Å; I522-I540 HydrophobicContact CD1-CD1 4.01Å; I522-I540 HydrophobicContact CG1-CD1 3.64Å; E536-I540 WeakPolarHBondContact O-CG1 3.34Å; E536-I540 PolarHBondContact O-N 2.85Å; T537-I540 PolarHBondContact O-N 2.91Å; N538-I540 PolarHBondContact O-N 3.32Å; I540-W544 WeakPolarHBondContact O-CB 3.42Å; I540-W544 PolarHBondContact O-N 3.2Å; I540-W544 VanDerWaalsContact O-N 3.09Å
541L98.7Very high93.4Very high0 Ų043.9 Ų43.90%024%0.24CC..Hα-helixtrans-64.4-44.9-178.3-69.1178.1000111.9Q276 L280 V331 A355 L357 L492 T537 N538 W544 L545Q276-L541 HydrophobicContact CG-CD1 4.21Å; L280-L541 HydrophobicContact CD2-CB 4.14Å; V331-L541 HydrophobicContact CG1-CD1 4.3Å; V331-L541 HydrophobicContact CG1-CD2 4Å; A355-L541 HydrophobicContact CB-CD2 4.36Å; L357-L541 HydrophobicContact CD2-CD2 4.39Å; L492-L541 HydrophobicContact CD2-CD2 4.03Å; T537-L541 HydrophobicContact CG2-CD1 3.94Å; T537-L541 HydrophobicContact CG2-CG 4.45Å; T537-L541 WeakPolarHBondContact O-CB 3.25Å; T537-L541 WeakPolarHBondContact O-CG 3.4Å; T537-L541 PolarHBondContact O-N 3.15Å; N538-L541 PolarHBondContact O-N 3.28Å; L541-W544 PolarHBondContact O-N 3.2Å; L541-L545 VanDerWaalsContact O-CB 3.23Å; L541-L545 WeakPolarHBondContact O-CB 3.47Å; L541-L545 WeakPolarHBondContact O-CD1 3.13Å; L541-L545 WeakPolarHBondContact O-CG 2.98Å; L541-L545 PolarHBondContact O-N 3.02Å
542I97.6Very high91Very high24 Ų2449 Ų4912%0.12328%0.284CS..Hα-helixtrans-65.2-44.2-179.3-69.2167.6000110.8A279 L280 A283 N538 L545 R546A279-I542 HydrophobicContact CB-CD1 4.16Å; L280-I542 HydrophobicContact CD2-CG1 3.69Å; A283-I542 HydrophobicContact CB-CD1 4.19Å; A283-I542 HydrophobicContact CB-CG1 3.97Å; A283-I542 HydrophobicContact CB-CG2 3.87Å; N538-I542 HydrophobicContact CB-CD1 4.39Å; N538-I542 VanDerWaalsContact O-CB 3.29Å; N538-I542 WeakPolarHBondContact O-CB 3.4Å; N538-I542 WeakPolarHBondContact O-CD1 3.4Å; N538-I542 WeakPolarHBondContact O-CG1 3.29Å; N538-I542 PolarHBondContact O-N 2.85Å; I542-L545 PolarHBondContact O-N 2.88Å; I542-R546 HydrophobicContact CG2-CG 4.38Å; I542-R546 WeakPolarHBondContact O-CB 3.36Å; I542-R546 VanDerWaalsContact O-CG 3.3Å; I542-R546 WeakPolarHBondContact O-CG 3.41Å; I542-R546 PolarHBondContact O-N 3.41Å
543S97.2Very high88.3Confident62 Ų6252.4 Ų52.443%0.43432%0.321SS..Hα-helixtrans-58.9-52.4178.1-163.20000110.4N539 L545 R546 E547N539-S543 WeakPolarHBondContact O-CB 3.2Å; N539-S543 PolarHBondContact O-N 3.36Å; S543-L545 PolarHBondContact O-N 3.29Å; S543-R546 PolarHBondContact O-N 3.38Å; S543-E547 WeakPolarHBondContact O-CG 3.45Å; S543-E547 PolarHBondContact O-N 3.25Å; S543-E547 PolarHBondContact OG-OE1 3.3Å
544W98.5Very high85.3Confident9 Ų955 Ų553%0.03435%0.353CS..Hα-helixtrans-63.2-41-17917475.6000112.8T329 A353 A355 L492 I540 L541 E547 T548T329-W544 HydrophobicContact CG2-CH2 3.7Å; T329-W544 HydrophobicContact CG2-CZ3 3.63Å; A353-W544 HydrophobicContact CB-CH2 3.57Å; A353-W544 HydrophobicContact CB-CZ2 3.75Å; A355-W544 HydrophobicContact CB-CE3 4.38Å; A355-W544 HydrophobicContact CB-CH2 4Å; A355-W544 HydrophobicContact CB-CZ3 3.84Å; L492-W544 HydrophobicContact CB-CD2 3.83Å; L492-W544 HydrophobicContact CB-CE3 4.39Å; L492-W544 HydrophobicContact CB-CG 4.09Å; L492-W544 HydrophobicContact CB-CZ2 4.03Å; L492-W544 HydrophobicContact CD1-CG 4.48Å; L492-W544 HydrophobicContact CD2-CB 3.98Å; L492-W544 HydrophobicContact CD2-CD2 3.87Å; L492-W544 HydrophobicContact CD2-CE3 4.05Å; L492-W544 HydrophobicContact CD2-CG 3.82Å; L492-W544 HydrophobicContact CG-CD2 4.43Å; L492-W544 HydrophobicContact CG-CG 4.35Å; I540-W544 WeakPolarHBondContact O-CB 3.42Å; I540-W544 PolarHBondContact O-N 3.2Å; I540-W544 VanDerWaalsContact O-N 3.09Å; L541-W544 PolarHBondContact O-N 3.2Å; W544-E547 PolarHBondContact O-N 3.12Å; W544-T548 VanDerWaalsContact O-CB 3.24Å; W544-T548 WeakPolarHBondContact O-CB 3.01Å; W544-T548 PolarHBondContact O-N 3.16Å; W544-T548 PolarHBondContact O-OG1 3.32Å
545L98.1Very high82.2Confident0 Ų057.5 Ų57.50%038%0.381CS..Hα-helixtrans-65-40.7177.6-76.8167.7000111.8V260 L280 F285 T329 L541 I542 S543 T548 H549V260-L545 HydrophobicContact CG2-CD1 4.23Å; V260-L545 HydrophobicContact CG2-CD2 3.89Å; L280-L545 HydrophobicContact CD2-CD1 3.6Å; F285-L545 HydrophobicContact CD2-CB 4.45Å; F285-L545 HydrophobicContact CD2-CD1 4.17Å; F285-L545 HydrophobicContact CE1-CB 3.95Å; F285-L545 HydrophobicContact CE1-CD2 4.44Å; F285-L545 HydrophobicContact CE2-CB 3.69Å; F285-L545 HydrophobicContact CE2-CD1 4.19Å; F285-L545 HydrophobicContact CG-CD1 4.47Å; F285-L545 HydrophobicContact CZ-CB 3.43Å; F285-L545 VanDerWaalsContact CZ-CB 3.43Å; F285-L545 HydrophobicContact CZ-CG 4.43Å; T329-L545 HydrophobicContact CG2-CD2 3.67Å; L541-L545 VanDerWaalsContact O-CB 3.23Å; L541-L545 WeakPolarHBondContact O-CB 3.47Å; L541-L545 WeakPolarHBondContact O-CD1 3.13Å; L541-L545 WeakPolarHBondContact O-CG 2.98Å; L541-L545 PolarHBondContact O-N 3.02Å; I542-L545 PolarHBondContact O-N 2.88Å; S543-L545 PolarHBondContact O-N 3.29Å; L545-T548 PolarHBondContact O-N 3.29Å; L545-H549 WeakPolarHBondContact O-CB 3.46Å; L545-H549 PolarHBondContact O-CD2 2.79Å; L545-H549 PolarHBondContact O-N 3Å
546R95.3Very high79.5Confident152 Ų15262 Ų6257%0.57441%0.407SS*.Hα-helixtrans-64.5-40.8176.3-76.7175.9174.8171.4-0.4112I542 S543 G550I542-R546 HydrophobicContact CG2-CG 4.38Å; I542-R546 WeakPolarHBondContact O-CB 3.36Å; I542-R546 VanDerWaalsContact O-CG 3.3Å; I542-R546 WeakPolarHBondContact O-CG 3.41Å; I542-R546 PolarHBondContact O-N 3.41Å; S543-R546 PolarHBondContact O-N 3.38Å; R546-G550 VanDerWaalsContact O-CA 3.27Å; R546-G550 WeakPolarHBondContact O-CA 3.2Å; R546-G550 PolarHBondContact O-N 3.13Å
547E95.1Very high76.6Confident132 Ų13263.7 Ų63.762%0.61743%0.432SS*.Hα-helixtrans-64.5-42173.9-71.1165.6-152.600111.5S543 W544S543-E547 WeakPolarHBondContact O-CG 3.45Å; S543-E547 PolarHBondContact O-N 3.25Å; S543-E547 PolarHBondContact OG-OE1 3.3Å; W544-E547 PolarHBondContact O-N 3.12Å
548T94.1Very high73.4Confident20 Ų2067.6 Ų67.612%0.12347%0.473CS..Hα-helixtrans-71.7-33.3-176.5-62.90000113.5A353 P490 W544 L545A353-T548 HydrophobicContact CB-CG2 3.65Å; P490-T548 HydrophobicContact CB-CG2 3.93Å; P490-T548 HydrophobicContact CG-CG2 4.13Å; W544-T548 VanDerWaalsContact O-CB 3.24Å; W544-T548 WeakPolarHBondContact O-CB 3.01Å; W544-T548 PolarHBondContact O-N 3.16Å; W544-T548 PolarHBondContact O-OG1 3.32Å; L545-T548 PolarHBondContact O-N 3.29Å
549H92.5Very high70.1Confident46 Ų4670.4 Ų70.421%0.21350%0.504CS..Hα-helixtrans-109.7-2-176.8-68.2-84.7000114P258 F285 T329 L545P258-H549 HydrophobicContact CG-CB 4.34Å; F285-H549 HydrophobicContact CE1-CB 4.12Å; F285-H549 AromaticContact CE1-CD2 3.73Å; T329-H549 PolarHBondContact OG1-CE1 2.92Å; T329-H549 PolarHBondContact OG1-NE2 3.43Å; L545-H549 WeakPolarHBondContact O-CB 3.46Å; L545-H549 PolarHBondContact O-CD2 2.79Å; L545-H549 PolarHBondContact O-N 3Å
550G80Confident66.9Low36 Ų3673.5 Ų73.537%0.37151%0.514SS..SBendtrans-67159.4176.400000112.8R546 A552R546-G550 VanDerWaalsContact O-CA 3.27Å; R546-G550 WeakPolarHBondContact O-CA 3.2Å; R546-G550 PolarHBondContact O-N 3.13Å; G550-A552 PolarHBondContact O-N 3.03Å
551P56.9Low63.9Low128 Ų12879.7 Ų79.783%0.83155%0.547SS*.  trans-60.5127.317623.5-30.9000110.3G553P551-G553 PolarHBondContact O-N 3.18Å
552A45Very low60.6Low116 Ų11686.8 Ų86.896%0.95958%0.584SS**THydrogen-bonded Turntrans-65.294.9178.300000110G550G550-A552 PolarHBondContact O-N 3.03Å
553G38.4Very low57.2Low81 Ų8189.5 Ų89.584%0.83561%0.611SS**THydrogen-bonded Turntrans170.51.7-178.700000118.8P551P551-G553 PolarHBondContact O-N 3.18Å
554G30.8Very low54Low72 Ų7291.6 Ų91.674%0.74262%0.623SS**  trans-109.4109.1169.600000110.2
555G30.8Very low50.7Low66 Ų66101 Ų10168%0.6866%0.664SS**  trans-56.3162.6167.800000111.4A557G555-A557 PolarHBondContact O-N 2.88Å
556P34.7Very low47.7Very low132 Ų132112.3 Ų112.386%0.85772%0.723SS**  trans-59.8118.3-173.225.2-31.9000109.7G558P556-G558 VanDerWaalsContact C-N 3.34Å; P556-G558 PolarHBondContact O-N 3.21Å
557A34Very low45.3Very low102 Ų102110.4 Ų110.484%0.84373%0.731SS**  trans-64.5105.7153.700000105.1G555 G559G555-A557 PolarHBondContact O-N 2.88Å; A557-G559 PolarHBondContact O-N 3.2Å
558G32.4Very low42.7Very low84 Ų84109.2 Ų109.287%0.86674%0.737SS**  trans-54.3102.5-17500000111.7P556P556-G558 VanDerWaalsContact C-N 3.34Å; P556-G558 PolarHBondContact O-N 3.21Å
559G28.6Very low39.8Very low66 Ų66114.2 Ų114.268%0.6877%0.771SS**  trans-112.6105.3154.300000106.2A557 L561A557-G559 PolarHBondContact O-N 3.2Å; G559-L561 PolarHBondContact O-N 3.26Å
560E28.1Very low36.7Very low177 Ų177118.2 Ų118.283%0.82780%0.804SS**  trans-54.9108.7169.5-74.4176.7145.500108.7L562E560-L562 PolarHBondContact O-N 2.99Å
561L34.5Very low34Very low168 Ų168123.3 Ų123.388%0.8883%0.831SS**  trans-62.896.3152.4-85.5157000105.7G559 A563G559-L561 PolarHBondContact O-N 3.26Å; L561-A563 VanDerWaalsContact C-N 3.34Å; L561-A563 PolarHBondContact O-N 2.8Å
562L30.4Very low32.5Very low149 Ų149123 Ų12378%0.7883%0.83SS**  trans-58.5101.1169.6-79.7163.6000107.7E560 P564E560-L562 PolarHBondContact O-N 2.99Å; L562-P564 WeakPolarHBondContact O-CD 3.39Å
563A26.7Very low31.6Very low82 Ų82123.5 Ų123.568%0.67882%0.821SS**PPolyproline II helixtrans-59.7125.1164.100000108.1L561 K565L561-A563 VanDerWaalsContact C-N 3.34Å; L561-A563 PolarHBondContact O-N 2.8Å; A563-K565 PolarHBondContact O-N 2.59Å
564P29.2Very low31.1Very low106 Ų106126.8 Ų126.869%0.68882%0.82SS**PPolyproline II helixtrans-63.5121.1161.1-417.9000106.5L562 L566L562-P564 WeakPolarHBondContact O-CD 3.39Å; P564-L566 PolarHBondContact O-N 2.99Å
565K29.9Very low31.1Very low206 Ų206131.3 Ų131.390%0.89683%0.827SS**PPolyproline II helixtrans-59.7125.6164.8-75178.9176.1176.40107.3A563A563-K565 PolarHBondContact O-N 2.59Å
566L33.9Very low31.1Very low238 Ų238137.3 Ų137.3100%1.24684%0.84SS**  trans-46.10168.7-76.4162.1000112.6P564P564-L566 PolarHBondContact O-N 2.99Å

Retrieved 566 of 566 residues in 185 ms (Link to these results)

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