A0A087XAP5_POEFO Loading...

mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A087XAP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 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
1M52Low84Confident213 Ų21393.5 Ų93.5100%1.04949%0.493SS*.  0128.10-67.6175.2-16600107.2R9M1-R9 PolarHBondContact O-NH1 2.64Å
2S64.1Low84.5Confident114 Ų11487.3 Ų87.380%0.79746%0.46SS*.PPolyproline II helixtrans-62.4149.5172.946.80000110.1
3A73.9Confident84.6Confident32 Ų3288.5 Ų88.526%0.26447%0.467SS..PPolyproline II helixtrans-61.7154.3171.600000110.3F7 R9 E18A3-F7 HydrophobicContact CB-CB 4.46Å; A3-F7 VanDerWaalsContact CB-O 3.22Å; A3-F7 WeakPolarHBondContact CB-O 3.44Å; A3-R9 HydrophobicContact CB-CG 4.12Å; A3-E18 WeakPolarHBondContact CA-OE1 3.32Å
4R80.5Confident84.7Confident111 Ų11196.1 Ų96.142%0.41949%0.494SS..PPolyproline II helixtrans-58.7144.8171.8-176.5178.9176.61780.1109.7G6 F7 E18 P91 A92R4-G6 PolarHBondContact O-N 2.93Å; R4-F7 HydrophobicContact CB-CB 4.46Å; R4-F7 HydrophobicContact CB-CD2 4.2Å; R4-F7 HydrophobicContact CG-CD2 4.44Å; R4-F7 WeakPolarHBondContact O-CB 3.42Å; R4-F7 PolarHBondContact O-N 3.2Å; R4-E18 PolarHBondContact N-OE1 3.14Å; R4-P91 WeakPolarHBondContact CD-O 3.26Å; R4-A92 PolarHBondContact NH1-O 2.91Å
5P86.8Confident85Confident125 Ų12592.7 Ų92.781%0.81248%0.48SS*.THydrogen-bonded Turntrans-50.5130.1173.5-27.735.1000111.8F7P5-F7 VanDerWaalsContact C-N 3.34Å
6G91.3Very high85.5Confident36 Ų3691.8 Ų91.837%0.37148%0.479SS..THydrogen-bonded Turntrans84.20.7-175.700000115.3R4 P20 E21R4-G6 PolarHBondContact O-N 2.93Å; G6-P20 CarbonylContact O-C 3.57Å; G6-P20 WeakPolarHBondContact O-CA 3.24Å; G6-E21 PolarHBondContact O-N 3.22Å
7F95.8Very high86.1Confident31 Ų3186.6 Ų86.614%0.13645%0.452CS..EExtended strand (participates in β ladder)trans-117152.2172.1-73.2-112000110.5A3 R4 P5 E18 V19 P20 F89 P91A3-F7 HydrophobicContact CB-CB 4.46Å; A3-F7 VanDerWaalsContact CB-O 3.22Å; A3-F7 WeakPolarHBondContact CB-O 3.44Å; R4-F7 HydrophobicContact CB-CB 4.46Å; R4-F7 HydrophobicContact CB-CD2 4.2Å; R4-F7 HydrophobicContact CG-CD2 4.44Å; R4-F7 WeakPolarHBondContact O-CB 3.42Å; R4-F7 PolarHBondContact O-N 3.2Å; P5-F7 VanDerWaalsContact C-N 3.34Å; F7-E18 HydrophobicContact CB-CG 3.96Å; F7-E18 HydrophobicContact CD1-CG 4.08Å; F7-E18 HydrophobicContact CG-CG 4.42Å; F7-V19 CarbonylContact C-O 3.55Å; F7-V19 VanDerWaalsContact CA-O 3.27Å; F7-V19 WeakPolarHBondContact CA-O 3.45Å; F7-P20 HydrophobicContact CD1-CG 4.26Å; F7-P20 HydrophobicContact CE1-CG 3.74Å; F7-P20 HydrophobicContact CE2-CG 4.47Å; F7-P20 HydrophobicContact CZ-CG 3.85Å; F7-F89 AromaticContact CE1-CD2 3.95Å; F7-F89 HydrophobicContact CE1-CD2 3.95Å; F7-F89 HydrophobicContact CE1-CE2 4.43Å; F7-P91 HydrophobicContact CD1-CB 4.27Å; F7-P91 HydrophobicContact CE1-CB 4.28Å
8Y95.9Very high86.6Confident47 Ų4782.7 Ų82.718%0.18443%0.431CS..EExtended strand (participates in β ladder)trans-128.1158.1169.876-85.4000110.9Q10 E18 V19 E21 Y23 L26Y8-Q10 HydrophobicContact CD2-CB 4.47Å; Y8-Q10 HydrophobicContact CE2-CB 4.09Å; Y8-E18 WeakPolarHBondContact O-CA 3.42Å; Y8-V19 HydrophobicContact CD1-CG2 4.05Å; Y8-V19 WeakPolarHBondContact CD1-O 3.16Å; Y8-V19 HydrophobicContact CE1-CG2 3.44Å; Y8-V19 VanDerWaalsContact CE1-CG2 3.44Å; Y8-V19 HydrophobicContact CE2-CG2 4.26Å; Y8-V19 PolarHBondContact N-O 3.06Å; Y8-V19 PolarHBondContact O-N 2.78Å; Y8-V19 VanDerWaalsContact O-N 3.08Å; Y8-E21 HydrophobicContact CD1-CG 4.39Å; Y8-Y23 VanDerWaalsContact CE1-O 3.31Å; Y8-Y23 WeakPolarHBondContact CE1-O 3.42Å; Y8-Y23 PolarHBondContact OH-O 2.71Å; Y8-L26 VanDerWaalsContact OH-CD1 3.3Å; Y8-L26 WeakPolarHBondContact OH-CD1 3.16Å
9R95.2Very high87.1Confident115 Ų11578.4 Ų78.443%0.43441%0.409SS..EExtended strand (participates in β ladder)trans-108.8136.8179.7-72.6176.4179.9-169.8-1.5111.4M1 A3 W17 E18M1-R9 PolarHBondContact O-NH1 2.64Å; A3-R9 HydrophobicContact CB-CG 4.12Å; R9-W17 CarbonylContact C-O 3.58Å; R9-W17 VanDerWaalsContact CA-O 3.24Å; R9-W17 WeakPolarHBondContact CA-O 3.41Å; R9-E18 HydrophobicContact CG-CB 4.03Å; R9-E18 HydrophobicContact CG-CG 3.91Å; R9-E18 IonicContact CZ-OE2 3.17Å; R9-E18 IonicContact NE-OE1 3.81Å; R9-E18 IonicContact NE-OE2 2.78Å; R9-E18 PolarHBondContact NE-OE2 2.95Å; R9-E18 IonicContact NH2-OE1 3.88Å; R9-E18 IonicContact NH2-OE2 2.74Å; R9-E18 PolarHBondContact NH2-OE2 3.41Å
10Q94.5Very high87.6Confident69 Ų6975.6 Ų75.632%0.32240%0.395SS..EExtended strand (participates in β ladder)trans-142.8135.7174.7-171.8179.8-2.800109.6Y8 L12 W17Y8-Q10 HydrophobicContact CD2-CB 4.47Å; Y8-Q10 HydrophobicContact CE2-CB 4.09Å; Q10-L12 HydrophobicContact CG-CD1 4.44Å; Q10-L12 HydrophobicContact CG-CD2 4.3Å; Q10-L12 HydrophobicContact CG-CG 4.06Å; Q10-W17 PolarHBondContact N-O 2.94Å; Q10-W17 PolarHBondContact O-N 2.82Å
11E93.8Very high88.1Confident136 Ų13677.4 Ų77.464%0.63640%0.402SS*.EExtended strand (participates in β ladder)trans-88.1123.2171.9-168.3179.5161.700110T15E11-T15 WeakPolarHBondContact CA-O 3.49Å
12L90.4Very high90.2Very high18 Ų1870.5 Ų70.59%0.09436%0.364CS..EExtended strand (participates in β ladder)trans-134.9127179.8-68.2171.6000109Q10 K14 T15 W17 L26 P28Q10-L12 HydrophobicContact CG-CD1 4.44Å; Q10-L12 HydrophobicContact CG-CD2 4.3Å; Q10-L12 HydrophobicContact CG-CG 4.06Å; L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 3.33Å; L12-T15 PolarHBondContact N-O 3.15Å; L12-T15 PolarHBondContact O-N 2.94Å; L12-T15 VanDerWaalsContact O-O 3.05Å; L12-W17 HydrophobicContact CD1-CG 4.42Å; L12-L26 HydrophobicContact CD1-CB 3.5Å; L12-L26 HydrophobicContact CD1-CD2 3.91Å; L12-L26 HydrophobicContact CD1-CG 4.34Å; L12-P28 HydrophobicContact CB-CG 4.4Å; L12-P28 HydrophobicContact CD2-CG 4.27Å
13N85.4Confident91.8Very high103 Ų10365.1 Ų65.155%0.55133%0.327SS*.THydrogen-bonded Turntrans48.446.1-178-68.6-11.6000113.3T15 P28N13-T15 PolarHBondContact O-N 3.31Å; N13-T15 VanDerWaalsContact O-N 3.17Å; N13-P28 VanDerWaalsContact ND2-CB 3.3Å; N13-P28 WeakPolarHBondContact ND2-CB 3.04Å
14K86.5Confident92.9Very high195 Ų19566.9 Ų66.985%0.84833%0.329SS*.THydrogen-bonded Turntrans62.416.5-179.1-49.2177180178.80114.6L12L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 3.33Å
15T89Confident93.6Very high46 Ų4667.3 Ų67.328%0.28234%0.34SS..EExtended strand (participates in β ladder)trans-118.3131.9175.3-53.10000108.1E11 L12 N13 K53E11-T15 WeakPolarHBondContact CA-O 3.49Å; L12-T15 PolarHBondContact N-O 3.15Å; L12-T15 PolarHBondContact O-N 2.94Å; L12-T15 VanDerWaalsContact O-O 3.05Å; N13-T15 PolarHBondContact O-N 3.31Å; N13-T15 VanDerWaalsContact O-N 3.17Å; T15-K53 HydrophobicContact CG2-CD 4.08Å
16V93Very high94.1Very high77 Ų7761.7 Ų61.747%0.46730%0.303SS..EExtended strand (participates in β ladder)trans-77.9126.7171.8-179.10000108.1K53V16-K53 PolarHBondContact O-NZ 2.71Å
17W95.5Very high94.3Very high4 Ų463.7 Ų63.72%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-105.2133.9172.5-7265.5000108.6R9 Q10 L12 V19 L26 T36 C38 V51 K53 Y102R9-W17 CarbonylContact C-O 3.58Å; R9-W17 VanDerWaalsContact CA-O 3.24Å; R9-W17 WeakPolarHBondContact CA-O 3.41Å; Q10-W17 PolarHBondContact N-O 2.94Å; Q10-W17 PolarHBondContact O-N 2.82Å; L12-W17 HydrophobicContact CD1-CG 4.42Å; W17-V19 HydrophobicContact CB-CG1 4.38Å; W17-V19 HydrophobicContact CE3-CG1 4.05Å; W17-L26 HydrophobicContact CB-CD2 4.44Å; W17-L26 HydrophobicContact CD2-CD2 4.19Å; W17-L26 HydrophobicContact CE3-CD2 3.72Å; W17-L26 HydrophobicContact CG-CD2 4.5Å; W17-L26 HydrophobicContact CZ3-CD2 4.34Å; W17-T36 VanDerWaalsContact CH2-O 3.3Å; W17-T36 WeakPolarHBondContact CH2-O 3.29Å; W17-T36 WeakPolarHBondContact CZ2-OG1 3.49Å; W17-C38 HydrophobicContact CH2-CB 4.04Å; W17-C38 HydrophobicContact CZ2-CB 4.41Å; W17-C38 WeakPolarHBondContact CZ2-SG 3.18Å; W17-C38 HydrophobicContact CZ3-CB 4.27Å; W17-V51 WeakPolarHBondContact CH2-O 3.4Å; W17-V51 HydrophobicContact CZ3-CB 4.21Å; W17-V51 HydrophobicContact CZ3-CG1 3.89Å; W17-K53 HydrophobicContact CD2-CB 4.43Å; W17-K53 HydrophobicContact CD2-CD 4.36Å; W17-K53 HydrophobicContact CE3-CB 4.25Å; W17-K53 HydrophobicContact CH2-CB 3.64Å; W17-K53 HydrophobicContact CZ2-CB 3.85Å; W17-K53 HydrophobicContact CZ3-CB 3.86Å; W17-Y102 HydrophobicContact CD2-CE1 4.16Å; W17-Y102 AromaticContact CE3-CD1 3.96Å; W17-Y102 HydrophobicContact CE3-CD1 3.96Å; W17-Y102 AromaticContact CE3-CE1 3.55Å; W17-Y102 HydrophobicContact CE3-CE1 3.55Å; W17-Y102 AromaticContact CZ3-CD1 4Å; W17-Y102 HydrophobicContact CZ3-CD1 4Å; W17-Y102 HydrophobicContact CZ3-CE1 4Å
18E95.8Very high94.1Very high16 Ų1664.6 Ų64.68%0.07532%0.317CS..EExtended strand (participates in β ladder)trans-121.2106.8170.3-171.8167.5175.900108A3 R4 F7 Y8 R9 P91 Y102A3-E18 WeakPolarHBondContact CA-OE1 3.32Å; R4-E18 PolarHBondContact N-OE1 3.14Å; F7-E18 HydrophobicContact CB-CG 3.96Å; F7-E18 HydrophobicContact CD1-CG 4.08Å; F7-E18 HydrophobicContact CG-CG 4.42Å; Y8-E18 WeakPolarHBondContact O-CA 3.42Å; R9-E18 HydrophobicContact CG-CB 4.03Å; R9-E18 HydrophobicContact CG-CG 3.91Å; R9-E18 IonicContact CZ-OE2 3.17Å; R9-E18 IonicContact NE-OE1 3.81Å; R9-E18 IonicContact NE-OE2 2.78Å; R9-E18 PolarHBondContact NE-OE2 2.95Å; R9-E18 IonicContact NH2-OE1 3.88Å; R9-E18 IonicContact NH2-OE2 2.74Å; R9-E18 PolarHBondContact NH2-OE2 3.41Å; E18-P91 HydrophobicContact CB-CB 4.06Å; E18-P91 HydrophobicContact CB-CG 4.27Å; E18-P91 HydrophobicContact CG-CB 3.77Å; E18-Y102 PolarHBondContact N-OH 2.88Å; E18-Y102 VanDerWaalsContact N-OH 3.17Å
19V96.6Very high93.7Very high1 Ų166.5 Ų66.51%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-129.2152.4-170.4-58.40000111.2F7 Y8 W17 L26 F89 Y102F7-V19 CarbonylContact C-O 3.55Å; F7-V19 VanDerWaalsContact CA-O 3.27Å; F7-V19 WeakPolarHBondContact CA-O 3.45Å; Y8-V19 HydrophobicContact CD1-CG2 4.05Å; Y8-V19 WeakPolarHBondContact CD1-O 3.16Å; Y8-V19 HydrophobicContact CE1-CG2 3.44Å; Y8-V19 VanDerWaalsContact CE1-CG2 3.44Å; Y8-V19 HydrophobicContact CE2-CG2 4.26Å; Y8-V19 PolarHBondContact N-O 3.06Å; Y8-V19 PolarHBondContact O-N 2.78Å; Y8-V19 VanDerWaalsContact O-N 3.08Å; W17-V19 HydrophobicContact CB-CG1 4.38Å; W17-V19 HydrophobicContact CE3-CG1 4.05Å; V19-L26 HydrophobicContact CG1-CD2 4.09Å; V19-L26 HydrophobicContact CG2-CD1 4.05Å; V19-L26 HydrophobicContact CG2-CD2 4.16Å; V19-F89 HydrophobicContact CB-CE2 4.13Å; V19-F89 HydrophobicContact CB-CZ 3.99Å; V19-F89 HydrophobicContact CG1-CE2 3.99Å; V19-F89 HydrophobicContact CG1-CZ 3.84Å; V19-Y102 HydrophobicContact CG1-CD1 4.28Å; V19-Y102 HydrophobicContact CG1-CE1 4.06Å
20P96.9Very high93Very high22 Ų2262.7 Ų62.714%0.14333%0.329CS..EExtended strand (participates in β ladder)trans-56.8145.4174.4-25.632.7000112.4G6 F7 R22 Y23 F89G6-P20 CarbonylContact O-C 3.57Å; G6-P20 WeakPolarHBondContact O-CA 3.24Å; F7-P20 HydrophobicContact CD1-CG 4.26Å; F7-P20 HydrophobicContact CE1-CG 3.74Å; F7-P20 HydrophobicContact CE2-CG 4.47Å; F7-P20 HydrophobicContact CZ-CG 3.85Å; P20-R22 HydrophobicContact CB-CB 4.27Å; P20-R22 PolarHBondContact O-N 3.46Å; P20-Y23 HydrophobicContact CB-CD2 4.17Å; P20-Y23 HydrophobicContact CB-CE2 4.47Å; P20-Y23 HydrophobicContact CG-CD2 4.15Å; P20-Y23 HydrophobicContact CG-CE2 4.23Å; P20-Y23 PolarHBondContact O-N 3.43Å; P20-F89 VanDerWaalsContact CD-CZ 3.48Å; P20-F89 HydrophobicContact CG-CD1 4.16Å; P20-F89 HydrophobicContact CG-CD2 4.05Å; P20-F89 HydrophobicContact CG-CE1 4.36Å; P20-F89 HydrophobicContact CG-CE2 4.27Å; P20-F89 HydrophobicContact CG-CG 4Å; P20-F89 HydrophobicContact CG-CZ 4.41Å
21E96.3Very high91.9Very high115 Ų11564.1 Ų64.154%0.53735%0.347SS..THydrogen-bonded Turntrans-58.8-13.5174.1-69.2177168.700113.4G6 Y8 Y23 Q24G6-E21 PolarHBondContact O-N 3.22Å; Y8-E21 HydrophobicContact CD1-CG 4.39Å; E21-Y23 VanDerWaalsContact C-N 3.3Å; E21-Y23 PolarHBondContact O-N 3.24Å; E21-Q24 PolarHBondContact O-NE2 3.4Å
22R96.8Very high90.6Very high68 Ų6860 Ų6026%0.25734%0.342SS..THydrogen-bonded Turntrans-59.9-36.7169.7173.6176.1179.7-172.4-1.5113.1P20 D42 V43 V44 D87P20-R22 HydrophobicContact CB-CB 4.27Å; P20-R22 PolarHBondContact O-N 3.46Å; R22-D42 WeakPolarHBondContact CG-OD1 3.46Å; R22-D42 IonicContact CZ-OD1 3.41Å; R22-D42 IonicContact CZ-OD2 3.85Å; R22-D42 VanDerWaalsContact NE-CG 3.29Å; R22-D42 IonicContact NE-OD1 3.95Å; R22-D42 PolarHBondContact NE-OD1 2.74Å; R22-D42 IonicContact NE-OD2 3.22Å; R22-D42 PolarHBondContact NE-OD2 3.32Å; R22-D42 IonicContact NH2-OD1 3.17Å; R22-D42 IonicContact NH2-OD2 3.3Å; R22-D42 PolarHBondContact NH2-OD2 3.19Å; R22-V43 WeakPolarHBondContact O-CG2 3.44Å; R22-V43 PolarHBondContact O-N 3.47Å; R22-V44 HydrophobicContact CG-CB 4.42Å; R22-V44 HydrophobicContact CG-CG2 3.87Å; R22-D87 IonicContact NH1-OD2 2.73Å
23Y97.9Very high89.2Confident1 Ų163.1 Ų63.10%0.00437%0.369CS..EExtended strand (participates in β ladder)trans-99.9106.9-174.6-60.8-65.4000109.7Y8 P20 E21 D42 V49 D87 F89 V104Y8-Y23 VanDerWaalsContact CE1-O 3.31Å; Y8-Y23 WeakPolarHBondContact CE1-O 3.42Å; Y8-Y23 PolarHBondContact OH-O 2.71Å; P20-Y23 HydrophobicContact CB-CD2 4.17Å; P20-Y23 HydrophobicContact CB-CE2 4.47Å; P20-Y23 HydrophobicContact CG-CD2 4.15Å; P20-Y23 HydrophobicContact CG-CE2 4.23Å; P20-Y23 PolarHBondContact O-N 3.43Å; E21-Y23 VanDerWaalsContact C-N 3.3Å; E21-Y23 PolarHBondContact O-N 3.24Å; Y23-D42 HydrophobicContact CD1-CB 4.05Å; Y23-D42 HydrophobicContact CE1-CB 3.92Å; Y23-V49 HydrophobicContact CD1-CG2 3.86Å; Y23-V49 HydrophobicContact CE1-CG2 4.01Å; Y23-D87 WeakPolarHBondContact OH-CB 3.35Å; Y23-D87 VanDerWaalsContact OH-CG 3.25Å; Y23-D87 PolarHBondContact OH-OD2 2.9Å; Y23-F89 AromaticContact CD2-CE1 3.84Å; Y23-F89 HydrophobicContact CD2-CE1 3.84Å; Y23-F89 HydrophobicContact CD2-CZ 4.33Å; Y23-F89 AromaticContact CE2-CD1 3.97Å; Y23-F89 HydrophobicContact CE2-CD1 3.97Å; Y23-F89 AromaticContact CE2-CE1 3.6Å; Y23-F89 HydrophobicContact CE2-CE1 3.6Å; Y23-F89 HydrophobicContact CE2-CZ 4.5Å; Y23-V104 HydrophobicContact CE1-CG1 3.9Å; Y23-V104 HydrophobicContact CE1-CG2 4.33Å; Y23-V104 HydrophobicContact CE2-CG2 4.13Å
24Q97.1Very high88.3Confident68 Ų6862.5 Ų62.532%0.31836%0.36SS..EExtended strand (participates in β ladder)trans-108.2163.5-174.1-67.6-65.9-25.400111.8E21 L26 A40 Y41 V43E21-Q24 PolarHBondContact O-NE2 3.4Å; Q24-L26 PolarHBondContact O-N 3.05Å; Q24-A40 WeakPolarHBondContact O-CA 3.41Å; Q24-Y41 PolarHBondContact N-O 3.48Å; Q24-Y41 PolarHBondContact O-N 3.47Å; Q24-V43 HydrophobicContact CB-CG1 4.27Å; Q24-V43 HydrophobicContact CG-CG1 3.77Å
25N95.5Very high87.9Confident121 Ų12153.4 Ų53.465%0.64732%0.321SS*.EExtended strand (participates in β ladder)trans56.845.5172.9-54.4-40.9000114.2T27N25-T27 PolarHBondContact O-N 2.86Å; N25-T27 VanDerWaalsContact O-N 3.17Å; N25-T27 PolarHBondContact O-OG1 2.86Å
26L96.7Very high87.9Confident7 Ų752.3 Ų52.34%0.03732%0.315CS..EExtended strand (participates in β ladder)trans-58.2122.8179.3-91.170000111Y8 L12 W17 V19 Q24 C38 S39 A40Y8-L26 VanDerWaalsContact OH-CD1 3.3Å; Y8-L26 WeakPolarHBondContact OH-CD1 3.16Å; L12-L26 HydrophobicContact CD1-CB 3.5Å; L12-L26 HydrophobicContact CD1-CD2 3.91Å; L12-L26 HydrophobicContact CD1-CG 4.34Å; W17-L26 HydrophobicContact CB-CD2 4.44Å; W17-L26 HydrophobicContact CD2-CD2 4.19Å; W17-L26 HydrophobicContact CE3-CD2 3.72Å; W17-L26 HydrophobicContact CG-CD2 4.5Å; W17-L26 HydrophobicContact CZ3-CD2 4.34Å; V19-L26 HydrophobicContact CG1-CD2 4.09Å; V19-L26 HydrophobicContact CG2-CD1 4.05Å; V19-L26 HydrophobicContact CG2-CD2 4.16Å; Q24-L26 PolarHBondContact O-N 3.05Å; L26-C38 HydrophobicContact CB-CB 4.33Å; L26-C38 HydrophobicContact CD2-CB 4.31Å; L26-C38 HydrophobicContact CG-CB 4.18Å; L26-S39 CarbonylContact C-O 3.58Å; L26-S39 VanDerWaalsContact CA-O 3.27Å; L26-S39 WeakPolarHBondContact CA-O 3.23Å; L26-A40 HydrophobicContact CD1-CB 3.73Å; L26-A40 HydrophobicContact CG-CB 4.16Å
27T94.8Very high87.9Confident78 Ų7850.6 Ų50.648%0.47930%0.304SS..EExtended strand (participates in β ladder)trans-127.3122.8178.5-55.20000109.4N25 V29 C38 S39N25-T27 PolarHBondContact O-N 2.86Å; N25-T27 VanDerWaalsContact O-N 3.17Å; N25-T27 PolarHBondContact O-OG1 2.86Å; T27-V29 PolarHBondContact O-N 3.25Å; T27-C38 CarbonylContact O-C 3.58Å; T27-C38 VanDerWaalsContact O-CA 3.3Å; T27-C38 WeakPolarHBondContact O-CA 3.37Å; T27-S39 PolarHBondContact N-O 2.93Å; T27-S39 PolarHBondContact O-N 2.85Å; T27-S39 PolarHBondContact O-OG 3.06Å
28P93.3Very high87.9Confident50 Ų5050.5 Ų50.533%0.32530%0.304SS..EExtended strand (participates in β ladder)trans-59134.8179.9-23.533.2000112.7L12 N13L12-P28 HydrophobicContact CB-CG 4.4Å; L12-P28 HydrophobicContact CD2-CG 4.27Å; N13-P28 VanDerWaalsContact ND2-CB 3.3Å; N13-P28 WeakPolarHBondContact ND2-CB 3.04Å
29V87.1Confident87.8Confident87 Ų8750.8 Ų50.853%0.52731%0.308SS..EExtended strand (participates in β ladder)trans-114-42.1178.7176.60000111T27 V37 L107T27-V29 PolarHBondContact O-N 3.25Å; V29-V37 PolarHBondContact N-O 3.29Å; V29-L107 HydrophobicContact CG2-CD1 4.45Å
30G79.6Confident87.9Confident34 Ų3450.9 Ų50.935%0.35131%0.309SS..EExtended strand (participates in β ladder)trans-164.5162.3-178.200000113.4V37G30-V37 PolarHBondContact N-O 3.12Å; G30-V37 PolarHBondContact O-N 3.13Å
31S72.1Confident87.9Confident100 Ų10054 Ų5470%0.69932%0.319SS*.EExtended strand (participates in β ladder)trans-132.3136.9171.856.10000109.3
32G67.1Low88Confident50 Ų5048.8 Ų48.852%0.51529%0.294SS..EExtended strand (participates in β ladder)trans-137.3177.9177.600000111.2Y34 G35G32-Y34 PolarHBondContact O-N 2.86Å; G32-G35 PolarHBondContact N-O 3.09Å; G32-G35 PolarHBondContact O-N 3.13Å
33A61.1Low88Confident82 Ų8248.8 Ų48.868%0.67830%0.302SS*.THydrogen-bonded Turntrans-58.1-21.8179.300000113.5
34Y64.8Low87.8Confident91 Ų9153.7 Ų53.736%0.35733%0.331SS..THydrogen-bonded Turntrans-112.41.6-169-46.6-53.1000113.9G32 S55 R66G32-Y34 PolarHBondContact O-N 2.86Å; Y34-S55 PolarHBondContact O-N 2.95Å; Y34-R66 VanDerWaalsContact CG-NH2 3.33Å; Y34-R66 VanDerWaalsContact CZ-CZ 3.46Å; Y34-R66 PolarHBondContact OH-NH1 2.87Å
35G79.7Confident87.6Confident3 Ų352.9 Ų52.93%0.03133%0.333CS..EExtended strand (participates in β ladder)trans158.8173.6-179.500000113.6G32 K53 S55G32-G35 PolarHBondContact N-O 3.09Å; G32-G35 PolarHBondContact O-N 3.13Å; G35-K53 CarbonylContact C-O 3.52Å; G35-K53 WeakPolarHBondContact CA-O 3.24Å; G35-S55 WeakPolarHBondContact CA-OG 3.23Å
36T89.1Confident87.6Confident23 Ų2356.3 Ų56.314%0.14134%0.337CS..EExtended strand (participates in β ladder)trans-110.1140.5171.747.80000108.9W17 K52 K53W17-T36 VanDerWaalsContact CH2-O 3.3Å; W17-T36 WeakPolarHBondContact CH2-O 3.29Å; W17-T36 WeakPolarHBondContact CZ2-OG1 3.49Å; T36-K52 CarbonylContact O-C 3.58Å; T36-K52 WeakPolarHBondContact O-CA 3.33Å; T36-K53 PolarHBondContact N-O 3.46Å; T36-K53 VanDerWaalsContact N-O 3.07Å; T36-K53 PolarHBondContact O-N 3.45Å
37V91.8Very high87.4Confident41 Ų4161.3 Ų61.325%0.24836%0.36CS..EExtended strand (participates in β ladder)trans-118.2127.7-177.4-175.70000109.1V29 G30 A50 V51 K52V29-V37 PolarHBondContact N-O 3.29Å; G30-V37 PolarHBondContact N-O 3.12Å; G30-V37 PolarHBondContact O-N 3.13Å; V37-A50 HydrophobicContact CG1-CB 4.12Å; V37-V51 WeakPolarHBondContact CA-O 3.28Å; V37-K52 HydrophobicContact CG2-CB 4.09Å; V37-K52 HydrophobicContact CG2-CD 4.45Å; V37-K52 HydrophobicContact CG2-CG 3.98Å
38C95.1Very high87.4Confident3 Ų364.8 Ų64.82%0.0237%0.369CS..EExtended strand (participates in β ladder)trans-114.9143.8168.5-65.70000109.5W17 L26 T27 V51W17-C38 HydrophobicContact CH2-CB 4.04Å; W17-C38 HydrophobicContact CZ2-CB 4.41Å; W17-C38 WeakPolarHBondContact CZ2-SG 3.18Å; W17-C38 HydrophobicContact CZ3-CB 4.27Å; L26-C38 HydrophobicContact CB-CB 4.33Å; L26-C38 HydrophobicContact CD2-CB 4.31Å; L26-C38 HydrophobicContact CG-CB 4.18Å; T27-C38 CarbonylContact O-C 3.58Å; T27-C38 VanDerWaalsContact O-CA 3.3Å; T27-C38 WeakPolarHBondContact O-CA 3.37Å; C38-V51 PolarHBondContact N-O 3.06Å; C38-V51 PolarHBondContact O-N 3.15Å
39S95.4Very high87.5Confident21 Ų2162.4 Ų62.415%0.14735%0.353CS..EExtended strand (participates in β ladder)trans-75.5147.2158.562.20000108.9L26 T27 V49L26-S39 CarbonylContact C-O 3.58Å; L26-S39 VanDerWaalsContact CA-O 3.27Å; L26-S39 WeakPolarHBondContact CA-O 3.23Å; T27-S39 PolarHBondContact N-O 2.93Å; T27-S39 PolarHBondContact O-N 2.85Å; T27-S39 PolarHBondContact O-OG 3.06Å; S39-V49 CarbonylContact C-O 3.44Å; S39-V49 VanDerWaalsContact CA-O 3.28Å; S39-V49 WeakPolarHBondContact CA-O 3.49Å
40A97.4Very high87.9Confident3 Ų358.7 Ų58.73%0.02533%0.332CS..EExtended strand (participates in β ladder)trans-143.2159.4172.500000109.6Q24 L26 K48 V49 V51Q24-A40 WeakPolarHBondContact O-CA 3.41Å; L26-A40 HydrophobicContact CD1-CB 3.73Å; L26-A40 HydrophobicContact CG-CB 4.16Å; A40-K48 CarbonylContact O-C 3.59Å; A40-K48 WeakPolarHBondContact O-CA 3.35Å; A40-V49 HydrophobicContact CB-CG2 4.13Å; A40-V49 PolarHBondContact N-O 3.49Å; A40-V49 PolarHBondContact O-N 2.8Å; A40-V51 HydrophobicContact CB-CG2 3.94Å
41Y97.5Very high88.6Confident89 Ų8957.1 Ų57.135%0.34932%0.315SS..EExtended strand (participates in β ladder)trans-96.1116.4168.4-174-105.5000109Q24 V43 R46 K48Q24-Y41 PolarHBondContact N-O 3.48Å; Q24-Y41 PolarHBondContact O-N 3.47Å; Y41-V43 HydrophobicContact CD1-CG1 4.02Å; Y41-V43 HydrophobicContact CE1-CG1 4.33Å; Y41-V43 PolarHBondContact O-N 3.21Å; Y41-R46 WeakPolarHBondContact OH-CA 3.35Å; Y41-R46 WeakPolarHBondContact OH-CB 3.48Å; Y41-R46 PolarHBondContact OH-O 2.65Å; Y41-K48 HydrophobicContact CD2-CG 4.46Å
42D97.4Very high89.7Confident5 Ų554.1 Ų54.13%0.02729%0.29CS..EExtended strand (participates in β ladder)trans-81.3109.6172.41745.8000109.2R22 Y23 V44 S45 R46 Q47 V49R22-D42 WeakPolarHBondContact CG-OD1 3.46Å; R22-D42 IonicContact CZ-OD1 3.41Å; R22-D42 IonicContact CZ-OD2 3.85Å; R22-D42 VanDerWaalsContact NE-CG 3.29Å; R22-D42 IonicContact NE-OD1 3.95Å; R22-D42 PolarHBondContact NE-OD1 2.74Å; R22-D42 IonicContact NE-OD2 3.22Å; R22-D42 PolarHBondContact NE-OD2 3.32Å; R22-D42 IonicContact NH2-OD1 3.17Å; R22-D42 IonicContact NH2-OD2 3.3Å; R22-D42 PolarHBondContact NH2-OD2 3.19Å; Y23-D42 HydrophobicContact CD1-CB 4.05Å; Y23-D42 HydrophobicContact CE1-CB 3.92Å; D42-V44 PolarHBondContact O-N 3.2Å; D42-V44 WeakPolarHBondContact OD1-CB 3.28Å; D42-V44 PolarHBondContact OD1-N 3.45Å; D42-S45 WeakPolarHBondContact CB-OG 3.5Å; D42-S45 PolarHBondContact OD1-N 3Å; D42-S45 VanDerWaalsContact OD2-CB 3.29Å; D42-S45 WeakPolarHBondContact OD2-CB 3.46Å; D42-S45 PolarHBondContact OD2-OG 3.31Å; D42-R46 WeakPolarHBondContact O-CA 3.28Å; D42-R46 PolarHBondContact O-N 2.81Å; D42-Q47 PolarHBondContact N-O 3.4Å; D42-Q47 PolarHBondContact O-N 2.95Å; D42-V49 HydrophobicContact CB-CG1 4.05Å; D42-V49 HydrophobicContact CB-CG2 4.27Å
43V96.8Very high91Very high68 Ų6852.6 Ų52.641%0.41227%0.269SS..THydrogen-bonded Turntrans-69.1-19.4-176.8-56.10000113.5R22 Q24 Y41R22-V43 WeakPolarHBondContact O-CG2 3.44Å; R22-V43 PolarHBondContact O-N 3.47Å; Q24-V43 HydrophobicContact CB-CG1 4.27Å; Q24-V43 HydrophobicContact CG-CG1 3.77Å; Y41-V43 HydrophobicContact CD1-CG1 4.02Å; Y41-V43 HydrophobicContact CE1-CG1 4.33Å; Y41-V43 PolarHBondContact O-N 3.21Å
44V94.6Very high92.4Very high103 Ų10349 Ų4962%0.62424%0.238SC*.THydrogen-bonded Turntrans-82.1-52.5-179.91750000110.3R22 D42 R46R22-V44 HydrophobicContact CG-CB 4.42Å; R22-V44 HydrophobicContact CG-CG2 3.87Å; D42-V44 PolarHBondContact O-N 3.2Å; D42-V44 WeakPolarHBondContact OD1-CB 3.28Å; D42-V44 PolarHBondContact OD1-N 3.45Å; V44-R46 VanDerWaalsContact C-N 3.3Å
45S93Very high93.5Very high51 Ų5147.6 Ų47.636%0.35724%0.241SC..THydrogen-bonded Turntrans-79.3-14.6177.165.10000113.3D42 Q47D42-S45 WeakPolarHBondContact CB-OG 3.5Å; D42-S45 PolarHBondContact OD1-N 3Å; D42-S45 VanDerWaalsContact OD2-CB 3.29Å; D42-S45 WeakPolarHBondContact OD2-CB 3.46Å; D42-S45 PolarHBondContact OD2-OG 3.31Å; S45-Q47 PolarHBondContact O-N 3.47Å
46R94.8Very high93.8Very high194 Ų19455.8 Ų55.873%0.73227%0.272SS*.THydrogen-bonded Turntrans60.330.5-174.3-59.2-176.8176-175.7-1113.6Y41 D42 V44Y41-R46 WeakPolarHBondContact OH-CA 3.35Å; Y41-R46 WeakPolarHBondContact OH-CB 3.48Å; Y41-R46 PolarHBondContact OH-O 2.65Å; D42-R46 WeakPolarHBondContact O-CA 3.28Å; D42-R46 PolarHBondContact O-N 2.81Å; V44-R46 VanDerWaalsContact C-N 3.3Å
47Q93.3Very high93.8Very high111 Ų11154.8 Ų54.852%0.51927%0.266SS..EExtended strand (participates in β ladder)trans-122.8155.9-178.3-68.5-176.9-18.200111.8D42 S45D42-Q47 PolarHBondContact N-O 3.4Å; D42-Q47 PolarHBondContact O-N 2.95Å; S45-Q47 PolarHBondContact O-N 3.47Å
48K94.4Very high93.8Very high151 Ų15153.9 Ų53.966%0.65726%0.258SS*.EExtended strand (participates in β ladder)trans-77.6136.2168-70.9-175.3-180176.40109.6A40 Y41 L107A40-K48 CarbonylContact O-C 3.59Å; A40-K48 WeakPolarHBondContact O-CA 3.35Å; Y41-K48 HydrophobicContact CD2-CG 4.46Å; K48-L107 HydrophobicContact CB-CB 4.35Å; K48-L107 HydrophobicContact CB-CD2 3.76Å; K48-L107 HydrophobicContact CD-CD2 4.06Å
49V95.4Very high93.6Very high0 Ų059.3 Ų59.30%028%0.283CS..EExtended strand (participates in β ladder)trans-129157.8-178.7-62.50000110.7Y23 S39 A40 D42 V51 L86 V104 T105Y23-V49 HydrophobicContact CD1-CG2 3.86Å; Y23-V49 HydrophobicContact CE1-CG2 4.01Å; S39-V49 CarbonylContact C-O 3.44Å; S39-V49 VanDerWaalsContact CA-O 3.28Å; S39-V49 WeakPolarHBondContact CA-O 3.49Å; A40-V49 HydrophobicContact CB-CG2 4.13Å; A40-V49 PolarHBondContact N-O 3.49Å; A40-V49 PolarHBondContact O-N 2.8Å; D42-V49 HydrophobicContact CB-CG1 4.05Å; D42-V49 HydrophobicContact CB-CG2 4.27Å; V49-V51 HydrophobicContact CG2-CG2 4.14Å; V49-L86 HydrophobicContact CG1-CD1 3.9Å; V49-V104 HydrophobicContact CB-CG1 3.76Å; V49-V104 HydrophobicContact CG1-CG1 4.19Å; V49-V104 HydrophobicContact CG2-CG1 3.8Å; V49-T105 WeakPolarHBondContact CA-O 3.31Å; V49-T105 WeakPolarHBondContact CB-O 3.32Å
50A94.7Very high93.3Very high10 Ų1060.2 Ų60.28%0.08329%0.289CS..EExtended strand (participates in β ladder)trans-99.3121.2168.100000109.2V37 V104 T105 L107V37-A50 HydrophobicContact CG1-CB 4.12Å; A50-V104 WeakPolarHBondContact O-CA 3.28Å; A50-T105 PolarHBondContact N-O 2.86Å; A50-T105 PolarHBondContact O-N 3.36Å; A50-L107 HydrophobicContact CB-CD1 4.01Å
51V95.9Very high92.9Very high0 Ų064.3 Ų64.30%031%0.31CS..EExtended strand (participates in β ladder)trans-105.2115.6174.6-170.70000108.3W17 V37 C38 A40 V49 F89 Y102 L103 V104W17-V51 WeakPolarHBondContact CH2-O 3.4Å; W17-V51 HydrophobicContact CZ3-CB 4.21Å; W17-V51 HydrophobicContact CZ3-CG1 3.89Å; V37-V51 WeakPolarHBondContact CA-O 3.28Å; C38-V51 PolarHBondContact N-O 3.06Å; C38-V51 PolarHBondContact O-N 3.15Å; A40-V51 HydrophobicContact CB-CG2 3.94Å; V49-V51 HydrophobicContact CG2-CG2 4.14Å; V51-F89 HydrophobicContact CG1-CE1 4.22Å; V51-F89 HydrophobicContact CG1-CZ 3.98Å; V51-Y102 HydrophobicContact CG1-CD1 4.18Å; V51-L103 CarbonylContact C-O 3.39Å; V51-L103 WeakPolarHBondContact CA-O 3.28Å; V51-V104 HydrophobicContact CG1-CG2 4.33Å; V51-V104 HydrophobicContact CG2-CG1 4.46Å; V51-V104 HydrophobicContact CG2-CG2 4.28Å
52K93.9Very high92.3Very high38 Ų3866.5 Ų66.517%0.16533%0.327CS..EExtended strand (participates in β ladder)trans-102.2117.6177-178.3179.2-179.5-173.80109.9T36 V37 L54 E70 Y102 L103T36-K52 CarbonylContact O-C 3.58Å; T36-K52 WeakPolarHBondContact O-CA 3.33Å; V37-K52 HydrophobicContact CG2-CB 4.09Å; V37-K52 HydrophobicContact CG2-CD 4.45Å; V37-K52 HydrophobicContact CG2-CG 3.98Å; K52-L54 HydrophobicContact CD-CD2 4.16Å; K52-L54 HydrophobicContact CG-CD2 4.32Å; K52-E70 IonicContact NZ-OE1 2.99Å; K52-E70 PolarHBondContact NZ-OE1 3.07Å; K52-E70 IonicContact NZ-OE2 2.64Å; K52-Y102 CarbonylContact O-C 3.59Å; K52-Y102 VanDerWaalsContact O-CA 3.3Å; K52-Y102 WeakPolarHBondContact O-CA 3.39Å; K52-L103 HydrophobicContact CB-CB 4.45Å; K52-L103 PolarHBondContact N-O 3.44Å; K52-L103 PolarHBondContact O-N 2.99Å
53K94.6Very high91.7Very high18 Ų1869.9 Ų69.98%0.07834%0.343CS..EExtended strand (participates in β ladder)trans-87.1118.9167.8-177.9175.4179.7148.40108.8T15 V16 W17 G35 T36 E100 Y102T15-K53 HydrophobicContact CG2-CD 4.08Å; V16-K53 PolarHBondContact O-NZ 2.71Å; W17-K53 HydrophobicContact CD2-CB 4.43Å; W17-K53 HydrophobicContact CD2-CD 4.36Å; W17-K53 HydrophobicContact CE3-CB 4.25Å; W17-K53 HydrophobicContact CH2-CB 3.64Å; W17-K53 HydrophobicContact CZ2-CB 3.85Å; W17-K53 HydrophobicContact CZ3-CB 3.86Å; G35-K53 CarbonylContact C-O 3.52Å; G35-K53 WeakPolarHBondContact CA-O 3.24Å; T36-K53 PolarHBondContact N-O 3.46Å; T36-K53 VanDerWaalsContact N-O 3.07Å; T36-K53 PolarHBondContact O-N 3.45Å; K53-E100 IonicContact NZ-OE1 3.71Å; K53-E100 PolarHBondContact NZ-OE1 3.13Å; K53-E100 IonicContact NZ-OE2 2.76Å; K53-E100 PolarHBondContact NZ-OE2 3.5Å; K53-Y102 HydrophobicContact CB-CD1 3.78Å; K53-Y102 HydrophobicContact CB-CE1 3.64Å; K53-Y102 HydrophobicContact CD-CE1 3.64Å; K53-Y102 WeakPolarHBondContact CD-OH 3.34Å; K53-Y102 WeakPolarHBondContact CE-OH 3.11Å; K53-Y102 HydrophobicContact CG-CD1 4.09Å; K53-Y102 HydrophobicContact CG-CE1 3.6Å; K53-Y102 PolarHBondContact NZ-OH 3Å
54L91.2Very high91.4Very high7 Ų766.7 Ų66.74%0.03732%0.323CS..EExtended strand (participates in β ladder)trans-70135.3176.4-66.3-168.1000111.2K52 R56 P57 L101 L103K52-L54 HydrophobicContact CD-CD2 4.16Å; K52-L54 HydrophobicContact CG-CD2 4.32Å; L54-R56 PolarHBondContact O-N 3.5Å; L54-P57 HydrophobicContact CB-CB 4.16Å; L54-P57 HydrophobicContact CB-CG 4.36Å; L54-P57 HydrophobicContact CD1-CB 4.26Å; L54-L101 HydrophobicContact CD1-CB 4.34Å; L54-L101 HydrophobicContact CD1-CD2 3.78Å; L54-L101 HydrophobicContact CD1-CG 4.29Å; L54-L101 PolarHBondContact N-O 3.31Å; L54-L103 HydrophobicContact CD1-CD1 4.45Å; L54-L103 HydrophobicContact CD2-CD1 4.07Å; L54-L103 HydrophobicContact CG-CD1 4.34Å
55S86.4Confident91.1Very high60 Ų6065.8 Ų65.842%0.4231%0.308SS..SBendtrans-80.1109178.1-71.10000110.6Y34 G35Y34-S55 PolarHBondContact O-N 2.95Å; G35-S55 WeakPolarHBondContact CA-OG 3.23Å
56R86.9Confident90.7Very high176 Ų17665 Ų6566%0.66430%0.298SS*.SBendtrans46.758.4175.2-54.3179.8-178.1168.10.3112.8L54 F58 Q59L54-R56 PolarHBondContact O-N 3.5Å; R56-F58 PolarHBondContact O-N 3.23Å; R56-Q59 HydrophobicContact CB-CB 4.01Å; R56-Q59 WeakPolarHBondContact O-CB 3.46Å; R56-Q59 PolarHBondContact O-N 3.14Å; R56-Q59 VanDerWaalsContact O-N 3.13Å
57P89.7Confident90.4Very high2 Ų256.2 Ų56.21%0.01327%0.266CS..THydrogen-bonded Turntrans-58.5-25-171.123.6-34000113.6L54 H63 S64 S67 L101L54-P57 HydrophobicContact CB-CB 4.16Å; L54-P57 HydrophobicContact CB-CG 4.36Å; L54-P57 HydrophobicContact CD1-CB 4.26Å; P57-H63 CarbonylContact O-C 3.04Å; P57-H63 WeakPolarHBondContact O-CB 3.39Å; P57-S64 VanDerWaalsContact O-CA 3.26Å; P57-S64 WeakPolarHBondContact O-CA 3.26Å; P57-S64 PolarHBondContact O-N 3.36Å; P57-S64 VanDerWaalsContact O-N 3.1Å; P57-S67 WeakPolarHBondContact CA-OG 3.46Å; P57-S67 WeakPolarHBondContact CB-OG 3.46Å; P57-S67 PolarHBondContact O-OG 3.37Å; P57-L101 HydrophobicContact CG-CB 4.41Å
58F92Very high90.4Very high22 Ų2251 Ų5110%0.09624%0.241CC..THydrogen-bonded Turntrans-111.625.6-177-46.3-59.5000113.7R56 S64 F98 L333 K337 V340R56-F58 PolarHBondContact O-N 3.23Å; F58-S64 WeakPolarHBondContact CA-OG 3.23Å; F58-F98 HydrophobicContact CE1-CE1 4.12Å; F58-F98 AromaticContact CE2-CD1 3.78Å; F58-F98 HydrophobicContact CE2-CD1 3.78Å; F58-F98 HydrophobicContact CE2-CD2 4.31Å; F58-F98 AromaticContact CE2-CE1 3.55Å; F58-F98 HydrophobicContact CE2-CE1 3.55Å; F58-F98 HydrophobicContact CE2-CE2 4.08Å; F58-F98 HydrophobicContact CE2-CG 4.17Å; F58-F98 AromaticContact CE2-CZ 3.7Å; F58-F98 HydrophobicContact CE2-CZ 3.7Å; F58-F98 AromaticContact CZ-CD1 3.87Å; F58-F98 HydrophobicContact CZ-CD1 3.87Å; F58-F98 AromaticContact CZ-CE1 3.19Å; F58-F98 HydrophobicContact CZ-CE1 3.19Å; F58-F98 HydrophobicContact CZ-CE2 4.2Å; F58-F98 AromaticContact CZ-CZ 3.39Å; F58-F98 HydrophobicContact CZ-CZ 3.39Å; F58-L333 HydrophobicContact CB-CD2 4.32Å; F58-L333 WeakPolarHBondContact O-CD1 3.39Å; F58-K337 HydrophobicContact CD1-CB 4.08Å; F58-K337 HydrophobicContact CD1-CG 4.18Å; F58-K337 HydrophobicContact CD2-CD 4.21Å; F58-K337 HydrophobicContact CD2-CG 4.26Å; F58-K337 HydrophobicContact CE1-CB 4.32Å; F58-K337 HydrophobicContact CE1-CG 4.29Å; F58-K337 HydrophobicContact CE2-CG 4.35Å; F58-K337 HydrophobicContact CG-CB 4.44Å; F58-K337 HydrophobicContact CG-CD 4.22Å; F58-K337 HydrophobicContact CG-CG 4.19Å; F58-K337 HydrophobicContact CZ-CG 4.39Å; F58-V340 HydrophobicContact CE1-CB 4.17Å; F58-V340 HydrophobicContact CE1-CG1 4.29Å; F58-V340 HydrophobicContact CE1-CG2 4.16Å; F58-V340 HydrophobicContact CZ-CB 4.31Å; F58-V340 HydrophobicContact CZ-CG1 4.05Å
59Q89.6Confident90.1Very high116 Ų11645.2 Ų45.254%0.54222%0.215SC..SBendtrans-70.8-30.9-179.2-173.5176.30.600113.3R56R56-Q59 HydrophobicContact CB-CB 4.01Å; R56-Q59 WeakPolarHBondContact O-CB 3.46Å; R56-Q59 PolarHBondContact O-N 3.14Å; R56-Q59 VanDerWaalsContact O-N 3.13Å
60S89.6Confident89.8Confident40 Ų4045.7 Ų45.728%0.2822%0.218SC..SBendtrans-153.4170.3176.976.20000110.8I62 H63 S64S60-I62 VanDerWaalsContact C-N 3.25Å; S60-I62 PolarHBondContact O-N 2.84Å; S60-H63 PolarHBondContact O-N 3.24Å; S60-H63 VanDerWaalsContact O-N 3.16Å; S60-H63 PolarHBondContact OG-ND1 3.04Å; S60-S64 PolarHBondContact O-N 3.32Å; S60-S64 PolarHBondContact O-OG 3.08Å
61L88.4Confident89.7Confident89 Ų8945.2 Ų45.247%0.46621%0.214SC..Hα-helixtrans-54.4-41.8175.9-67.9176.1000112.5S64 R65 R331 L333L61-S64 PolarHBondContact O-N 2.97Å; L61-R65 WeakPolarHBondContact O-CB 3.47Å; L61-R65 PolarHBondContact O-N 2.81Å; L61-R331 WeakPolarHBondContact CD2-O 3.42Å; L61-L333 HydrophobicContact CD2-CB 3.99Å; L61-L333 VanDerWaalsContact CD2-N 3.33Å
62I84.7Confident89.5Confident135 Ų13547.4 Ų47.469%0.69222%0.222SC*.Hα-helixtrans-63-45.3179.2-60.6173.1000110.8S60 R66S60-I62 VanDerWaalsContact C-N 3.25Å; S60-I62 PolarHBondContact O-N 2.84Å; I62-R66 WeakPolarHBondContact O-CB 3.46Å; I62-R66 PolarHBondContact O-N 3.31Å
63H85.9Confident89.3Confident77 Ų7745.6 Ų45.636%0.35621%0.214SC..Hα-helixtrans-67-39.3178.6-64.693.1000111.7P57 S60 R66 S67P57-H63 CarbonylContact O-C 3.04Å; P57-H63 WeakPolarHBondContact O-CB 3.39Å; S60-H63 PolarHBondContact O-N 3.24Å; S60-H63 VanDerWaalsContact O-N 3.16Å; S60-H63 PolarHBondContact OG-ND1 3.04Å; H63-R66 PolarHBondContact O-N 2.68Å; H63-S67 WeakPolarHBondContact O-CB 3.37Å; H63-S67 PolarHBondContact O-N 3.03Å; H63-S67 PolarHBondContact O-OG 3.45Å
64S90.2Very high89.2Confident0 Ų045.3 Ų45.30%021%0.213CC..Hα-helixtrans-69-49-177.3-49.20000111.1P57 F58 S60 L61 R66 S67 Y68P57-S64 VanDerWaalsContact O-CA 3.26Å; P57-S64 WeakPolarHBondContact O-CA 3.26Å; P57-S64 PolarHBondContact O-N 3.36Å; P57-S64 VanDerWaalsContact O-N 3.1Å; F58-S64 WeakPolarHBondContact CA-OG 3.23Å; S60-S64 PolarHBondContact O-N 3.32Å; S60-S64 PolarHBondContact O-OG 3.08Å; L61-S64 PolarHBondContact O-N 2.97Å; S64-R66 VanDerWaalsContact C-N 3.29Å; S64-R66 PolarHBondContact O-N 3.16Å; S64-S67 PolarHBondContact O-N 3.44Å; S64-Y68 PolarHBondContact O-N 3.47Å
65R87.7Confident89.3Confident84 Ų8447.4 Ų47.432%0.31722%0.222SC..Hα-helixtrans-58.4-42.2174-176.7173.7176.8-178.1-3.5111.5L61 Y68 R69 E327 W336L61-R65 WeakPolarHBondContact O-CB 3.47Å; L61-R65 PolarHBondContact O-N 2.81Å; R65-Y68 PolarHBondContact O-N 3.43Å; R65-R69 WeakPolarHBondContact O-CB 3.36Å; R65-R69 PolarHBondContact O-N 3.47Å; R65-E327 PolarHBondContact NE-O 2.93Å; R65-E327 PolarHBondContact NH2-O 2.99Å; R65-W336 HydrophobicContact CB-CD2 4.24Å; R65-W336 HydrophobicContact CB-CZ2 4.07Å; R65-W336 HydrophobicContact CG-CH2 4.17Å; R65-W336 HydrophobicContact CG-CZ2 3.78Å
66R85.1Confident89.5Confident36 Ų3646.4 Ų46.414%0.13621%0.211CC..Hα-helixtrans-62.9-44.8176.4-178.5-178.8-179.9144.56.5112.3Y34 I62 H63 S64 Y68 R69 E70Y34-R66 VanDerWaalsContact CG-NH2 3.33Å; Y34-R66 VanDerWaalsContact CZ-CZ 3.46Å; Y34-R66 PolarHBondContact OH-NH1 2.87Å; I62-R66 WeakPolarHBondContact O-CB 3.46Å; I62-R66 PolarHBondContact O-N 3.31Å; H63-R66 PolarHBondContact O-N 2.68Å; S64-R66 VanDerWaalsContact C-N 3.29Å; S64-R66 PolarHBondContact O-N 3.16Å; R66-Y68 VanDerWaalsContact C-N 3.34Å; R66-R69 PolarHBondContact O-N 3.03Å; R66-E70 WeakPolarHBondContact O-CB 3.41Å; R66-E70 PolarHBondContact O-N 2.92Å
67S89.4Confident89.8Confident8 Ų838.2 Ų38.26%0.05618%0.18CC..Hα-helixtrans-63.4-42.2-179.9-57.70000111.2P57 H63 S64 L71P57-S67 WeakPolarHBondContact CA-OG 3.46Å; P57-S67 WeakPolarHBondContact CB-OG 3.46Å; P57-S67 PolarHBondContact O-OG 3.37Å; H63-S67 WeakPolarHBondContact O-CB 3.37Å; H63-S67 PolarHBondContact O-N 3.03Å; H63-S67 PolarHBondContact O-OG 3.45Å; S64-S67 PolarHBondContact O-N 3.44Å; S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 PolarHBondContact O-N 3.11Å
68Y91.7Very high90.1Very high1 Ų146.2 Ų46.20%0.00421%0.214CC..Hα-helixtrans-59.4-51.3172.7178.9-101.4000112S64 R65 R66 E70 L71 R72 L326 E327 W336 L339 V340 E343S64-Y68 PolarHBondContact O-N 3.47Å; R65-Y68 PolarHBondContact O-N 3.43Å; R66-Y68 VanDerWaalsContact C-N 3.34Å; Y68-E70 PolarHBondContact O-N 3.25Å; Y68-L71 PolarHBondContact O-N 3.48Å; Y68-R72 HydrophobicContact CD1-CG 4.13Å; Y68-R72 HydrophobicContact CD2-CG 4.23Å; Y68-R72 HydrophobicContact CE1-CG 3.73Å; Y68-R72 HydrophobicContact CE2-CG 3.82Å; Y68-R72 HydrophobicContact CG-CG 4.38Å; Y68-R72 WeakPolarHBondContact O-CB 3.35Å; Y68-R72 VanDerWaalsContact O-CG 3.31Å; Y68-R72 WeakPolarHBondContact O-CG 3.2Å; Y68-R72 PolarHBondContact O-N 3.47Å; Y68-R72 PolarHBondContact OH-NH1 3.19Å; Y68-L326 WeakPolarHBondContact OH-CD1 3.42Å; Y68-E327 HydrophobicContact CD1-CG 4.15Å; Y68-E327 HydrophobicContact CE1-CG 3.96Å; Y68-W336 HydrophobicContact CD1-CE3 4.01Å; Y68-W336 HydrophobicContact CD1-CH2 4.36Å; Y68-W336 AromaticContact CD1-CZ3 3.4Å; Y68-W336 HydrophobicContact CD1-CZ3 3.4Å; Y68-W336 VanDerWaalsContact CD1-CZ3 3.4Å; Y68-W336 AromaticContact CE1-CZ3 3.88Å; Y68-W336 HydrophobicContact CE1-CZ3 3.88Å; Y68-W336 AromaticContact CG-CE3 3.87Å; Y68-W336 HydrophobicContact CG-CE3 3.87Å; Y68-W336 AromaticContact CG-CZ3 3.75Å; Y68-W336 HydrophobicContact CG-CZ3 3.75Å; Y68-L339 HydrophobicContact CD2-CB 3.84Å; Y68-L339 HydrophobicContact CE2-CB 3.67Å; Y68-L339 HydrophobicContact CE2-CD1 4.28Å; Y68-L339 HydrophobicContact CE2-CG 4.48Å; Y68-V340 HydrophobicContact CD2-CG2 3.92Å; Y68-V340 HydrophobicContact CG-CG2 4.28Å; Y68-E343 HydrophobicContact CD2-CG 4.33Å; Y68-E343 HydrophobicContact CE2-CG 3.7Å
69R88.5Confident90.3Very high30 Ų3045.9 Ų45.911%0.11321%0.213CC..Hα-helixtrans-59.5-45.4179-177.717369.7-170.5-1.5112.2R65 R66 L71 R72 L73 G169 A171 E327R65-R69 WeakPolarHBondContact O-CB 3.36Å; R65-R69 PolarHBondContact O-N 3.47Å; R66-R69 PolarHBondContact O-N 3.03Å; R69-L71 PolarHBondContact O-N 3.32Å; R69-R72 PolarHBondContact O-N 3.36Å; R69-L73 HydrophobicContact CG-CD1 3.61Å; R69-L73 HydrophobicContact CG-CG 4.16Å; R69-L73 WeakPolarHBondContact O-CB 3.37Å; R69-L73 VanDerWaalsContact O-CG 3.25Å; R69-L73 WeakPolarHBondContact O-CG 3.37Å; R69-L73 PolarHBondContact O-N 2.9Å; R69-G169 PolarHBondContact NH2-O 2.83Å; R69-A171 VanDerWaalsContact CD-O 3.32Å; R69-A171 WeakPolarHBondContact CD-O 3.31Å; R69-A171 VanDerWaalsContact CZ-O 3.26Å; R69-A171 PolarHBondContact NE-O 2.65Å; R69-A171 PolarHBondContact NH1-O 3.2Å; R69-E327 WeakPolarHBondContact CD-OE2 3.39Å; R69-E327 VanDerWaalsContact CG-OE2 3.31Å; R69-E327 WeakPolarHBondContact CG-OE2 3.43Å
70E89.1Confident90.5Very high11 Ų1146 Ų465%0.05121%0.214CC..Hα-helixtrans-60.2-46.1178.3-174.7171.9176.200111.3K52 R66 Y68 L74 L103K52-E70 IonicContact NZ-OE1 2.99Å; K52-E70 PolarHBondContact NZ-OE1 3.07Å; K52-E70 IonicContact NZ-OE2 2.64Å; R66-E70 WeakPolarHBondContact O-CB 3.41Å; R66-E70 PolarHBondContact O-N 2.92Å; Y68-E70 PolarHBondContact O-N 3.25Å; E70-L74 HydrophobicContact CG-CD1 4.06Å; E70-L74 WeakPolarHBondContact O-CB 3.29Å; E70-L74 VanDerWaalsContact O-CG 3.24Å; E70-L74 WeakPolarHBondContact O-CG 3.46Å; E70-L74 PolarHBondContact O-N 3.32Å; E70-L103 HydrophobicContact CG-CD1 4.2Å
71L92.2Very high90.9Very high0 Ų044.5 Ų44.50%020%0.203CC..Hα-helixtrans-60.6-48.9176.1175.357.3000111.9S67 Y68 R69 L74 K75 L85 V88 L103 V340 E343 V344S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 PolarHBondContact O-N 3.11Å; Y68-L71 PolarHBondContact O-N 3.48Å; R69-L71 PolarHBondContact O-N 3.32Å; L71-L74 PolarHBondContact O-N 3Å; L71-K75 HydrophobicContact CD1-CD 4.03Å; L71-K75 HydrophobicContact CD1-CG 4.23Å; L71-K75 HydrophobicContact CG-CD 4.2Å; L71-K75 WeakPolarHBondContact O-CG 3.38Å; L71-K75 PolarHBondContact O-N 3.1Å; L71-L85 HydrophobicContact CD1-CD2 3.64Å; L71-V88 HydrophobicContact CD1-CB 4.18Å; L71-V88 HydrophobicContact CD1-CG1 4.19Å; L71-V88 HydrophobicContact CD1-CG2 3.88Å; L71-L103 HydrophobicContact CD1-CD2 3.88Å; L71-V340 HydrophobicContact CD2-CG1 4.09Å; L71-E343 HydrophobicContact CD2-CB 3.58Å; L71-E343 HydrophobicContact CG-CB 4.32Å; L71-V344 HydrophobicContact CD2-CG2 4Å
72R91.8Very high91.2Very high46 Ų4640.2 Ų40.217%0.17418%0.18CC..Hα-helixtrans-63.1-43.9-178.8-74.9-76.6-61.1-137.1-8.7112.6Y68 R69 K75 H76 Y322 D323 E343Y68-R72 HydrophobicContact CD1-CG 4.13Å; Y68-R72 HydrophobicContact CD2-CG 4.23Å; Y68-R72 HydrophobicContact CE1-CG 3.73Å; Y68-R72 HydrophobicContact CE2-CG 3.82Å; Y68-R72 HydrophobicContact CG-CG 4.38Å; Y68-R72 WeakPolarHBondContact O-CB 3.35Å; Y68-R72 VanDerWaalsContact O-CG 3.31Å; Y68-R72 WeakPolarHBondContact O-CG 3.2Å; Y68-R72 PolarHBondContact O-N 3.47Å; Y68-R72 PolarHBondContact OH-NH1 3.19Å; R69-R72 PolarHBondContact O-N 3.36Å; R72-K75 PolarHBondContact O-N 3.36Å; R72-H76 WeakPolarHBondContact O-CB 3.23Å; R72-H76 PolarHBondContact O-N 3.29Å; R72-Y322 HydrophobicContact CB-CE2 4.2Å; R72-Y322 WeakPolarHBondContact CB-OH 3.36Å; R72-D323 PolarHBondContact NH2-O 2.96Å; R72-E343 WeakPolarHBondContact CD-OE1 3.42Å; R72-E343 IonicContact CZ-OE1 3.62Å; R72-E343 IonicContact NE-OE1 3.62Å; R72-E343 IonicContact NH1-OE1 2.71Å; R72-E343 PolarHBondContact NH1-OE1 3.35Å
73L90.9Very high91.6Very high0 Ų034.2 Ų34.20%015%0.15CC..Hα-helixtrans-63.5-46.5177.1-71.8174000110.8R69 K75 H76 M77 L145 F168 A171 Y322R69-L73 HydrophobicContact CG-CD1 3.61Å; R69-L73 HydrophobicContact CG-CG 4.16Å; R69-L73 WeakPolarHBondContact O-CB 3.37Å; R69-L73 VanDerWaalsContact O-CG 3.25Å; R69-L73 WeakPolarHBondContact O-CG 3.37Å; R69-L73 PolarHBondContact O-N 2.9Å; L73-K75 VanDerWaalsContact C-N 3.27Å; L73-K75 PolarHBondContact O-N 3.27Å; L73-H76 PolarHBondContact O-N 2.84Å; L73-M77 HydrophobicContact CD2-CE 4.36Å; L73-M77 VanDerWaalsContact O-CG 3.27Å; L73-M77 WeakPolarHBondContact O-CG 3.33Å; L73-M77 PolarHBondContact O-N 2.91Å; L73-L145 HydrophobicContact CD2-CD1 3.44Å; L73-L145 VanDerWaalsContact CD2-CD1 3.44Å; L73-L145 HydrophobicContact CD2-CD2 3.89Å; L73-L145 HydrophobicContact CD2-CG 4.33Å; L73-F168 HydrophobicContact CB-CB 4.1Å; L73-F168 HydrophobicContact CB-CG 4.43Å; L73-F168 HydrophobicContact CD1-CB 3.71Å; L73-F168 HydrophobicContact CD1-CG 4.5Å; L73-A171 HydrophobicContact CD1-CB 4.02Å; L73-Y322 HydrophobicContact CD2-CD1 3.94Å; L73-Y322 HydrophobicContact CD2-CD2 4.11Å; L73-Y322 HydrophobicContact CD2-CE1 3.61Å; L73-Y322 HydrophobicContact CD2-CE2 3.84Å; L73-Y322 HydrophobicContact CD2-CG 4.17Å; L73-Y322 HydrophobicContact CG-CE1 4.34Å; L73-Y322 HydrophobicContact CG-CE2 4.46Å
74L92.7Very high92Very high12 Ų1231.2 Ų31.26%0.06314%0.139CC..Hα-helixtrans-62.3-32.7176.7-70.9170.6000113.1E70 L71 I83 L85 L103E70-L74 HydrophobicContact CG-CD1 4.06Å; E70-L74 WeakPolarHBondContact O-CB 3.29Å; E70-L74 VanDerWaalsContact O-CG 3.24Å; E70-L74 WeakPolarHBondContact O-CG 3.46Å; E70-L74 PolarHBondContact O-N 3.32Å; L71-L74 PolarHBondContact O-N 3Å; L74-I83 HydrophobicContact CD2-CG2 3.72Å; L74-L85 HydrophobicContact CB-CB 4.01Å; L74-L85 HydrophobicContact CB-CD1 4.31Å; L74-L85 HydrophobicContact CD1-CD1 4.32Å; L74-L85 PolarHBondContact O-N 3.01Å; L74-L85 VanDerWaalsContact O-N 3.11Å; L74-L103 HydrophobicContact CD1-CD1 3.82Å
75K92.1Very high92.2Very high50 Ų5031.8 Ų31.822%0.21714%0.142CC..Hα-helixtrans-69.8-35172.9-74.9178.169.2168.90112.6L71 R72 L73 L85 E343 F347L71-K75 HydrophobicContact CD1-CD 4.03Å; L71-K75 HydrophobicContact CD1-CG 4.23Å; L71-K75 HydrophobicContact CG-CD 4.2Å; L71-K75 WeakPolarHBondContact O-CG 3.38Å; L71-K75 PolarHBondContact O-N 3.1Å; R72-K75 PolarHBondContact O-N 3.36Å; L73-K75 VanDerWaalsContact C-N 3.27Å; L73-K75 PolarHBondContact O-N 3.27Å; K75-L85 HydrophobicContact CD-CD2 4.4Å; K75-L85 HydrophobicContact CG-CD2 3.56Å; K75-E343 WeakPolarHBondContact CE-OE2 2.99Å; K75-E343 PolarHBondContact NZ-O 3.4Å; K75-E343 IonicContact NZ-OE2 3.39Å; K75-E343 PolarHBondContact NZ-OE2 2.86Å; K75-F347 HydrophobicContact CD-CD2 4.03Å; K75-F347 HydrophobicContact CG-CD2 3.98Å; K75-F347 HydrophobicContact CG-CE2 4.14Å
76H92.1Very high92.5Very high40 Ų4030 Ų3019%0.18514%0.139CC..Hα-helixtrans-76.6-36.5-178.7-169.182.7000112.8R72 L73 K78 P320 P321 Y322R72-H76 WeakPolarHBondContact O-CB 3.23Å; R72-H76 PolarHBondContact O-N 3.29Å; L73-H76 PolarHBondContact O-N 2.84Å; H76-K78 PolarHBondContact O-N 2.85Å; H76-P320 PolarHBondContact CE1-O 3.38Å; H76-P320 VanDerWaalsContact CE1-O 3.3Å; H76-P320 PolarHBondContact NE2-O 3.06Å; H76-P321 PolarHBondContact CE1-O 2.91Å; H76-Y322 HydrophobicContact CB-CD2 3.88Å; H76-Y322 HydrophobicContact CB-CE2 4.17Å; H76-Y322 AromaticContact CD2-CD2 3.98Å; H76-Y322 AromaticContact CG-CD2 3.63Å; H76-Y322 AromaticContact ND1-CD2 3.78Å
77M93.4Very high93Very high4 Ų429.4 Ų29.42%0.0214%0.138CC..  trans-72.6118.5-176.1-65.9-56.4148.200112.1L73 V82 Y139 I140 L145 F168L73-M77 HydrophobicContact CD2-CE 4.36Å; L73-M77 VanDerWaalsContact O-CG 3.27Å; L73-M77 WeakPolarHBondContact O-CG 3.33Å; L73-M77 PolarHBondContact O-N 2.91Å; M77-V82 HydrophobicContact CB-CG1 3.76Å; M77-V82 HydrophobicContact CG-CG1 3.75Å; M77-V82 HydrophobicContact SD-CG1 4.1Å; M77-Y139 HydrophobicContact SD-CD1 4Å; M77-Y139 HydrophobicContact SD-CE1 3.74Å; M77-I140 HydrophobicContact SD-CG1 4.28Å; M77-L145 HydrophobicContact CE-CD1 3.24Å; M77-F168 HydrophobicContact CG-CE2 4.2Å; M77-F168 HydrophobicContact CG-CZ 4.2Å
78K94.4Very high93.4Very high169 Ų16929.4 Ų29.474%0.73514%0.138SC*.  trans-136.170.9178.9-64.8-178.4-176.6176.30109.7H76 Y139H76-K78 PolarHBondContact O-N 2.85Å; K78-Y139 PolarHBondContact N-OH 2.79Å
79H95.8Very high93.6Very high16 Ų1630 Ų307%0.07414%0.141CC..  trans-144.1146.3-178.4-174.4-86000109.6N81 V82 R135 Y139H79-N81 VanDerWaalsContact C-N 3.34Å; H79-N81 PolarHBondContact CE1-OD1 3.38Å; H79-N81 PolarHBondContact ND1-N 2.92Å; H79-N81 PolarHBondContact O-N 3.41Å; H79-V82 HydrophobicContact CB-CB 4.05Å; H79-V82 HydrophobicContact CB-CG2 3.98Å; H79-V82 PolarHBondContact O-N 3Å; H79-R135 PolarHBondContact CE1-NH1 3.3Å; H79-Y139 HydrophobicContact CB-CD1 3.69Å; H79-Y139 HydrophobicContact CB-CD2 3.93Å; H79-Y139 HydrophobicContact CB-CE1 3.95Å; H79-Y139 HydrophobicContact CB-CE2 4.15Å; H79-Y139 HydrophobicContact CB-CG 3.7Å; H79-Y139 AromaticContact CD2-CD2 3.56Å; H79-Y139 AromaticContact CD2-CG 3.67Å; H79-Y139 AromaticContact CG-CG 3.82Å
80E95.2Very high93.9Very high118 Ų11829.1 Ų29.155%0.55114%0.138SC*.THydrogen-bonded Turntrans-64.4-41.2-176.2-64.8174.1136.200111.9V82 R135 R164E80-V82 VanDerWaalsContact C-N 3.26Å; E80-V82 PolarHBondContact O-N 3.27Å; E80-R135 IonicContact OE2-CZ 2.65Å; E80-R135 IonicContact OE2-NH1 2.81Å; E80-R135 PolarHBondContact OE2-NH1 2.85Å; E80-R135 IonicContact OE2-NH2 3.92Å; E80-R135 PolarHBondContact OE2-NH2 3.43Å; E80-R164 WeakPolarHBondContact O-CG 3.35Å; E80-R164 VanDerWaalsContact O-CZ 3.29Å; E80-R164 PolarHBondContact O-NE 3.42Å; E80-R164 PolarHBondContact O-NH1 3.45Å
81N97Very high94.1Very high8 Ų829.5 Ų29.54%0.04314%0.142CC..THydrogen-bonded Turntrans-86.513.3179.2-49.7112.6000115.1H79 Q132 R135 L163 R164 I165H79-N81 VanDerWaalsContact C-N 3.34Å; H79-N81 PolarHBondContact CE1-OD1 3.38Å; H79-N81 PolarHBondContact ND1-N 2.92Å; H79-N81 PolarHBondContact O-N 3.41Å; N81-Q132 VanDerWaalsContact CB-O 3.23Å; N81-Q132 WeakPolarHBondContact CB-O 3.3Å; N81-Q132 WeakPolarHBondContact ND2-CB 3.35Å; N81-Q132 PolarHBondContact ND2-OE1 3.22Å; N81-Q132 VanDerWaalsContact ND2-OE1 3.07Å; N81-R135 WeakPolarHBondContact OD1-CD 3.42Å; N81-R135 PolarHBondContact OD1-NH1 3.44Å; N81-L163 WeakPolarHBondContact CA-O 3.4Å; N81-L163 HydrophobicContact CB-CD2 4.5Å; N81-L163 PolarHBondContact ND2-O 2.73Å; N81-L163 VanDerWaalsContact ND2-O 3.07Å; N81-R164 WeakPolarHBondContact O-CA 3.48Å; N81-I165 WeakPolarHBondContact O-CG1 3.13Å; N81-I165 PolarHBondContact O-N 2.95Å
82V95.9Very high94.1Very high0 Ų030 Ų300%015%0.146CC..BIsolated β-bridgetrans-126.9139.7175.4-177.60000109M77 H79 E80 G84 Y139 I140 R164 F168M77-V82 HydrophobicContact CB-CG1 3.76Å; M77-V82 HydrophobicContact CG-CG1 3.75Å; M77-V82 HydrophobicContact SD-CG1 4.1Å; H79-V82 HydrophobicContact CB-CB 4.05Å; H79-V82 HydrophobicContact CB-CG2 3.98Å; H79-V82 PolarHBondContact O-N 3Å; E80-V82 VanDerWaalsContact C-N 3.26Å; E80-V82 PolarHBondContact O-N 3.27Å; V82-G84 PolarHBondContact O-N 3.17Å; V82-Y139 HydrophobicContact CG2-CD1 4.49Å; V82-I140 HydrophobicContact CG1-CD1 4.48Å; V82-I140 HydrophobicContact CG2-CD1 3.99Å; V82-I140 HydrophobicContact CG2-CG1 4.02Å; V82-R164 PolarHBondContact O-NH1 2.82Å; V82-R164 VanDerWaalsContact O-NH1 3.08Å; V82-F168 HydrophobicContact CG1-CE2 3.6Å; V82-F168 HydrophobicContact CG1-CZ 3.34Å
83I93.4Very high93.9Very high9 Ų930.1 Ų30.15%0.04616%0.162CC..  trans-68.3129.5174.6-162.165.9000110.3L74 T105 N106 I165 L166 F168L74-I83 HydrophobicContact CD2-CG2 3.72Å; I83-T105 HydrophobicContact CG1-CG2 4.06Å; I83-N106 HydrophobicContact CD1-CB 4.46Å; I83-I165 WeakPolarHBondContact CB-O 3.18Å; I83-I165 VanDerWaalsContact CG2-O 3.28Å; I83-I165 WeakPolarHBondContact CG2-O 3.3Å; I83-I165 PolarHBondContact N-O 3.01Å; I83-L166 HydrophobicContact CB-CD2 3.75Å; I83-L166 HydrophobicContact CD1-CD2 4.19Å; I83-L166 HydrophobicContact CG1-CD2 4.02Å; I83-L166 HydrophobicContact CG2-CD2 4.09Å; I83-F168 HydrophobicContact CG2-CD2 4.35Å; I83-F168 HydrophobicContact CG2-CE2 3.96Å
84G92.6Very high93.9Very high13 Ų1333.2 Ų33.213%0.13418%0.181CC..  trans-119.4164.1176.700000111.5V82 T105V82-G84 PolarHBondContact O-N 3.17Å; G84-T105 WeakPolarHBondContact O-CG2 3.41Å
85L94.4Very high93.8Very high13 Ų1335.3 Ų35.37%0.06819%0.192CC..  trans-83.3124.6178-159.663.4000111.3L71 L74 K75 D87 V88 L103 F347L71-L85 HydrophobicContact CD1-CD2 3.64Å; L74-L85 HydrophobicContact CB-CB 4.01Å; L74-L85 HydrophobicContact CB-CD1 4.31Å; L74-L85 HydrophobicContact CD1-CD1 4.32Å; L74-L85 PolarHBondContact O-N 3.01Å; L74-L85 VanDerWaalsContact O-N 3.11Å; K75-L85 HydrophobicContact CD-CD2 4.4Å; K75-L85 HydrophobicContact CG-CD2 3.56Å; L85-D87 VanDerWaalsContact CD1-O 3.27Å; L85-D87 WeakPolarHBondContact CD1-O 3.42Å; L85-V88 HydrophobicContact CD2-CB 4.01Å; L85-V88 HydrophobicContact CD2-CG1 3.98Å; L85-L103 HydrophobicContact CD1-CB 4.08Å; L85-L103 HydrophobicContact CD1-CD2 4.06Å; L85-F347 HydrophobicContact CB-CE2 4.29Å; L85-F347 HydrophobicContact CB-CZ 4.48Å; L85-F347 HydrophobicContact CD2-CD2 3.96Å; L85-F347 HydrophobicContact CD2-CE2 3.61Å; L85-F347 HydrophobicContact CD2-CZ 4.17Å; L85-F347 HydrophobicContact CG-CE2 4.06Å; L85-F347 HydrophobicContact CG-CZ 4.18Å
86L94.8Very high93.7Very high46 Ų4640.9 Ų40.924%0.24122%0.218CC..SBendtrans-89-41.1170.5-62.5-179000111.4V49 V104 T105V49-L86 HydrophobicContact CG1-CD1 3.9Å; L86-V104 HydrophobicContact CB-CG1 4.36Å; L86-V104 PolarHBondContact N-O 3.43Å; L86-T105 VanDerWaalsContact CD1-C 3.47Å
87D96.1Very high93.6Very high24 Ų2444 Ų4413%0.12824%0.236CC..EExtended strand (participates in β ladder)trans-155159.8178.9-162.617.9000111.1R22 Y23 L85 V104R22-D87 IonicContact NH1-OD2 2.73Å; Y23-D87 WeakPolarHBondContact OH-CB 3.35Å; Y23-D87 VanDerWaalsContact OH-CG 3.25Å; Y23-D87 PolarHBondContact OH-OD2 2.9Å; L85-D87 VanDerWaalsContact CD1-O 3.27Å; L85-D87 WeakPolarHBondContact CD1-O 3.42Å; D87-V104 HydrophobicContact CB-CB 3.76Å; D87-V104 HydrophobicContact CB-CG1 4.41Å; D87-V104 HydrophobicContact CB-CG2 3.88Å; D87-V104 PolarHBondContact N-O 3.44Å; D87-V104 WeakPolarHBondContact O-CB 3.47Å; D87-V104 PolarHBondContact O-N 3.26Å
88V96.7Very high93.6Very high8 Ų843.8 Ų43.85%0.04824%0.235CC..EExtended strand (participates in β ladder)trans-144.8136.2171.954.70000109.2L71 L85 L101 Y102 L103 V344 F347L71-V88 HydrophobicContact CD1-CB 4.18Å; L71-V88 HydrophobicContact CD1-CG1 4.19Å; L71-V88 HydrophobicContact CD1-CG2 3.88Å; L85-V88 HydrophobicContact CD2-CB 4.01Å; L85-V88 HydrophobicContact CD2-CG1 3.98Å; V88-L101 HydrophobicContact CG2-CD1 3.57Å; V88-Y102 WeakPolarHBondContact CA-O 3.42Å; V88-Y102 WeakPolarHBondContact CG2-O 3.35Å; V88-L103 HydrophobicContact CB-CD2 4.42Å; V88-L103 HydrophobicContact CG2-CD2 3.92Å; V88-V344 HydrophobicContact CG2-CG1 4.35Å; V88-V344 HydrophobicContact CG2-CG2 3.77Å; V88-F347 HydrophobicContact CG1-CB 3.54Å; V88-F347 HydrophobicContact CG1-CD1 3.78Å; V88-F347 HydrophobicContact CG1-CD2 3.91Å; V88-F347 HydrophobicContact CG1-CE1 4.49Å; V88-F347 HydrophobicContact CG1-CG 3.45Å; V88-F347 VanDerWaalsContact CG1-CG 3.45Å
89F96Very high93.5Very high14 Ų1440.5 Ų40.56%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-149164.9-179.863.4-96000113F7 V19 P20 Y23 V51 Y102 V104F7-F89 AromaticContact CE1-CD2 3.95Å; F7-F89 HydrophobicContact CE1-CD2 3.95Å; F7-F89 HydrophobicContact CE1-CE2 4.43Å; V19-F89 HydrophobicContact CB-CE2 4.13Å; V19-F89 HydrophobicContact CB-CZ 3.99Å; V19-F89 HydrophobicContact CG1-CE2 3.99Å; V19-F89 HydrophobicContact CG1-CZ 3.84Å; P20-F89 VanDerWaalsContact CD-CZ 3.48Å; P20-F89 HydrophobicContact CG-CD1 4.16Å; P20-F89 HydrophobicContact CG-CD2 4.05Å; P20-F89 HydrophobicContact CG-CE1 4.36Å; P20-F89 HydrophobicContact CG-CE2 4.27Å; P20-F89 HydrophobicContact CG-CG 4Å; P20-F89 HydrophobicContact CG-CZ 4.41Å; Y23-F89 AromaticContact CD2-CE1 3.84Å; Y23-F89 HydrophobicContact CD2-CE1 3.84Å; Y23-F89 HydrophobicContact CD2-CZ 4.33Å; Y23-F89 AromaticContact CE2-CD1 3.97Å; Y23-F89 HydrophobicContact CE2-CD1 3.97Å; Y23-F89 AromaticContact CE2-CE1 3.6Å; Y23-F89 HydrophobicContact CE2-CE1 3.6Å; Y23-F89 HydrophobicContact CE2-CZ 4.5Å; V51-F89 HydrophobicContact CG1-CE1 4.22Å; V51-F89 HydrophobicContact CG1-CZ 3.98Å; F89-Y102 AromaticContact CD2-CD2 3.84Å; F89-Y102 HydrophobicContact CD2-CD2 3.84Å; F89-Y102 AromaticContact CD2-CG 3.95Å; F89-Y102 HydrophobicContact CD2-CG 3.95Å; F89-Y102 AromaticContact CE2-CD1 3.88Å; F89-Y102 HydrophobicContact CE2-CD1 3.88Å; F89-Y102 AromaticContact CE2-CD2 3.51Å; F89-Y102 HydrophobicContact CE2-CD2 3.51Å; F89-Y102 HydrophobicContact CE2-CE2 4.23Å; F89-Y102 AromaticContact CE2-CG 3.3Å; F89-Y102 HydrophobicContact CE2-CG 3.3Å; F89-Y102 AromaticContact CZ-CD1 3.99Å; F89-Y102 HydrophobicContact CZ-CD1 3.99Å; F89-Y102 HydrophobicContact CZ-CD2 4.34Å; F89-Y102 AromaticContact CZ-CG 3.67Å; F89-Y102 HydrophobicContact CZ-CG 3.67Å; F89-Y102 PolarHBondContact N-O 3.41Å; F89-Y102 PolarHBondContact O-N 3.32Å; F89-V104 HydrophobicContact CD1-CG2 4.05Å; F89-V104 HydrophobicContact CE1-CG2 3.61Å
90T95.6Very high93.3Very high11 Ų1142.3 Ų42.37%0.06723%0.234CC..  trans-139.3144.4169-177.20000109.3A92 F98 E100 F341 V344T90-A92 HydrophobicContact CG2-CB 4.13Å; T90-A92 PolarHBondContact O-N 2.99Å; T90-A92 PolarHBondContact OG1-N 3.5Å; T90-F98 HydrophobicContact CG2-CD2 3.89Å; T90-F98 HydrophobicContact CG2-CE2 3.93Å; T90-F98 WeakPolarHBondContact OG1-CD2 3.21Å; T90-E100 WeakPolarHBondContact CB-O 3.4Å; T90-E100 PolarHBondContact OG1-O 2.84Å; T90-F341 HydrophobicContact CG2-CE2 4.39Å; T90-V344 HydrophobicContact CG2-CG1 4.31Å
91P93.5Very high93.4Very high19 Ų1936.7 Ų36.712%0.12321%0.208CC..SBendtrans-67.9-1917128.1-35.5000112.6R4 F7 E18 G93 E100 Y102R4-P91 WeakPolarHBondContact CD-O 3.26Å; F7-P91 HydrophobicContact CD1-CB 4.27Å; F7-P91 HydrophobicContact CE1-CB 4.28Å; E18-P91 HydrophobicContact CB-CB 4.06Å; E18-P91 HydrophobicContact CB-CG 4.27Å; E18-P91 HydrophobicContact CG-CB 3.77Å; P91-G93 PolarHBondContact O-N 3.39Å; P91-E100 HydrophobicContact CG-CB 4.27Å; P91-Y102 HydrophobicContact CG-CE2 4.4Å
92A91.7Very high93.3Very high10 Ų1036.3 Ų36.38%0.08321%0.206CC..  trans-62.9133.9-176.200000112.7R4 T90 D97 F98R4-A92 PolarHBondContact NH1-O 2.91Å; T90-A92 HydrophobicContact CG2-CB 4.13Å; T90-A92 PolarHBondContact O-N 2.99Å; T90-A92 PolarHBondContact OG1-N 3.5Å; A92-D97 HydrophobicContact CB-CB 4.2Å; A92-F98 VanDerWaalsContact CB-CA 3.49Å; A92-F98 HydrophobicContact CB-CB 4Å; A92-F98 HydrophobicContact CB-CD2 4.26Å
93G87.2Confident93.3Very high49 Ų4936.5 Ų36.551%0.50521%0.207SC..SBendtrans-86.4-23.2174.700000113.7P91P91-G93 PolarHBondContact O-N 3.39Å
94T91.3Very high93.4Very high65 Ų6536 Ų3640%0.39921%0.205SC..SBendtrans-136.9165.3-177.2640000109.9E96 D97 F98T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 PolarHBondContact O-N 2.87Å; T94-D97 PolarHBondContact O-N 3.35Å; T94-F98 PolarHBondContact O-N 2.76Å
95L91.5Very high93.5Very high56 Ų5636.4 Ų36.429%0.29320%0.204SC..SBendtrans-61.6-35.2174.317967.2000112.4D97 F98 K337 E338 F341L95-D97 VanDerWaalsContact C-N 3.32Å; L95-D97 PolarHBondContact O-N 3.43Å; L95-F98 HydrophobicContact CD1-CD1 4.46Å; L95-F98 WeakPolarHBondContact O-CB 3.23Å; L95-F98 PolarHBondContact O-N 3.5Å; L95-F98 VanDerWaalsContact O-N 3.17Å; L95-K337 HydrophobicContact CD1-CG 4.07Å; L95-K337 WeakPolarHBondContact O-CE 3.41Å; L95-K337 PolarHBondContact O-NZ 3.34Å; L95-K337 VanDerWaalsContact O-NZ 3.15Å; L95-E338 HydrophobicContact CD1-CG 4.07Å; L95-E338 HydrophobicContact CD2-CG 3.42Å; L95-E338 VanDerWaalsContact CD2-CG 3.42Å; L95-E338 HydrophobicContact CG-CG 4.36Å; L95-F341 HydrophobicContact CD1-CB 3.82Å; L95-F341 HydrophobicContact CD1-CD1 4.43Å; L95-F341 HydrophobicContact CD1-CG 4.05Å
96E89.9Confident93.3Very high166 Ų16637.7 Ų37.778%0.77621%0.211SC*.THydrogen-bonded Turntrans-59.2-45.7-179.7-66.3175.7-178.200110.8T94 F98 K337T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 PolarHBondContact O-N 2.87Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 2.77Å; E96-K337 PolarHBondContact O-NZ 3.44Å
97D90.2Very high93.1Very high106 Ų10638 Ų3857%0.56721%0.213SC*.THydrogen-bonded Turntrans-82-3-179.4-65.4-36000113.9A92 T94 L95 N99A92-D97 HydrophobicContact CB-CB 4.2Å; T94-D97 PolarHBondContact O-N 3.35Å; L95-D97 VanDerWaalsContact C-N 3.32Å; L95-D97 PolarHBondContact O-N 3.43Å; D97-N99 PolarHBondContact O-N 3.44Å; D97-N99 PolarHBondContact O-ND2 2.71Å
98F93.4Very high92.7Very high0 Ų038.3 Ų38.30%021%0.214CC..  trans-71.996.3-174.3-179.9-135.8000112.8F58 T90 A92 T94 L95 E96 E100 L101 K337 V340 F341F58-F98 HydrophobicContact CE1-CE1 4.12Å; F58-F98 AromaticContact CE2-CD1 3.78Å; F58-F98 HydrophobicContact CE2-CD1 3.78Å; F58-F98 HydrophobicContact CE2-CD2 4.31Å; F58-F98 AromaticContact CE2-CE1 3.55Å; F58-F98 HydrophobicContact CE2-CE1 3.55Å; F58-F98 HydrophobicContact CE2-CE2 4.08Å; F58-F98 HydrophobicContact CE2-CG 4.17Å; F58-F98 AromaticContact CE2-CZ 3.7Å; F58-F98 HydrophobicContact CE2-CZ 3.7Å; F58-F98 AromaticContact CZ-CD1 3.87Å; F58-F98 HydrophobicContact CZ-CD1 3.87Å; F58-F98 AromaticContact CZ-CE1 3.19Å; F58-F98 HydrophobicContact CZ-CE1 3.19Å; F58-F98 HydrophobicContact CZ-CE2 4.2Å; F58-F98 AromaticContact CZ-CZ 3.39Å; F58-F98 HydrophobicContact CZ-CZ 3.39Å; T90-F98 HydrophobicContact CG2-CD2 3.89Å; T90-F98 HydrophobicContact CG2-CE2 3.93Å; T90-F98 WeakPolarHBondContact OG1-CD2 3.21Å; A92-F98 VanDerWaalsContact CB-CA 3.49Å; A92-F98 HydrophobicContact CB-CB 4Å; A92-F98 HydrophobicContact CB-CD2 4.26Å; T94-F98 PolarHBondContact O-N 2.76Å; L95-F98 HydrophobicContact CD1-CD1 4.46Å; L95-F98 WeakPolarHBondContact O-CB 3.23Å; L95-F98 PolarHBondContact O-N 3.5Å; L95-F98 VanDerWaalsContact O-N 3.17Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 2.77Å; F98-E100 WeakPolarHBondContact CE2-O 3.23Å; F98-L101 HydrophobicContact CZ-CD1 4.39Å; F98-K337 HydrophobicContact CD1-CD 4.46Å; F98-K337 HydrophobicContact CD1-CG 3.67Å; F98-K337 HydrophobicContact CE1-CG 4.24Å; F98-K337 WeakPolarHBondContact O-CE 3.41Å; F98-K337 PolarHBondContact O-NZ 3.01Å; F98-V340 HydrophobicContact CE1-CB 4.03Å; F98-V340 HydrophobicContact CE1-CG1 3.85Å; F98-V340 HydrophobicContact CZ-CB 4.37Å; F98-V340 HydrophobicContact CZ-CG1 3.68Å; F98-F341 HydrophobicContact CB-CD2 3.89Å; F98-F341 HydrophobicContact CB-CE2 4.24Å; F98-F341 HydrophobicContact CD1-CB 3.81Å; F98-F341 AromaticContact CD1-CD2 3.71Å; F98-F341 HydrophobicContact CD1-CD2 3.71Å; F98-F341 HydrophobicContact CD1-CG 4.21Å; F98-F341 HydrophobicContact CD2-CD2 4.07Å; F98-F341 HydrophobicContact CE1-CB 3.86Å; F98-F341 HydrophobicContact CE1-CD2 4.19Å; F98-F341 AromaticContact CG-CD2 3.63Å; F98-F341 HydrophobicContact CG-CD2 3.63Å; F98-F341 HydrophobicContact CG-CE2 4.33Å
99N91.1Very high92.1Very high99 Ų9940.9 Ų40.953%0.52924%0.242SC..  trans-127.4-13.1-177.7-65.9-66.7000113.7D97D97-N99 PolarHBondContact O-N 3.44Å; D97-N99 PolarHBondContact O-ND2 2.71Å
100E92.9Very high91.6Very high55 Ų5542 Ų4226%0.25725%0.254SS..  trans-126.5135.5-175.7-52.7-164.4154.500110.4K53 T90 P91 F98 Y102K53-E100 IonicContact NZ-OE1 3.71Å; K53-E100 PolarHBondContact NZ-OE1 3.13Å; K53-E100 IonicContact NZ-OE2 2.76Å; K53-E100 PolarHBondContact NZ-OE2 3.5Å; T90-E100 WeakPolarHBondContact CB-O 3.4Å; T90-E100 PolarHBondContact OG1-O 2.84Å; P91-E100 HydrophobicContact CG-CB 4.27Å; F98-E100 WeakPolarHBondContact CE2-O 3.23Å; E100-Y102 HydrophobicContact CB-CD2 4.5Å; E100-Y102 HydrophobicContact CB-CE2 3.75Å; E100-Y102 WeakPolarHBondContact OE2-CE2 3.41Å; E100-Y102 PolarHBondContact OE2-OH 3.42Å
101L95.3Very high91.2Very high0 Ų043.1 Ų43.10%026%0.26CS..  trans-127.8130.8175.9-177.461.4000109.3L54 P57 V88 F98 L103 V340 V344L54-L101 HydrophobicContact CD1-CB 4.34Å; L54-L101 HydrophobicContact CD1-CD2 3.78Å; L54-L101 HydrophobicContact CD1-CG 4.29Å; L54-L101 PolarHBondContact N-O 3.31Å; P57-L101 HydrophobicContact CG-CB 4.41Å; V88-L101 HydrophobicContact CG2-CD1 3.57Å; F98-L101 HydrophobicContact CZ-CD1 4.39Å; L101-L103 HydrophobicContact CD2-CD2 4.45Å; L101-L103 HydrophobicContact CG-CD2 4.39Å; L101-V340 HydrophobicContact CD2-CG1 3.74Å; L101-V344 HydrophobicContact CD1-CG2 3.47Å; L101-V344 VanDerWaalsContact CD1-CG2 3.47Å
102Y96.1Very high90.9Very high0 Ų042.3 Ų42.30%025%0.254CS..EExtended strand (participates in β ladder)trans-120129.9178.4-61.6-102.1000109.8W17 E18 V19 V51 K52 K53 V88 F89 P91 E100W17-Y102 HydrophobicContact CD2-CE1 4.16Å; W17-Y102 AromaticContact CE3-CD1 3.96Å; W17-Y102 HydrophobicContact CE3-CD1 3.96Å; W17-Y102 AromaticContact CE3-CE1 3.55Å; W17-Y102 HydrophobicContact CE3-CE1 3.55Å; W17-Y102 AromaticContact CZ3-CD1 4Å; W17-Y102 HydrophobicContact CZ3-CD1 4Å; W17-Y102 HydrophobicContact CZ3-CE1 4Å; E18-Y102 PolarHBondContact N-OH 2.88Å; E18-Y102 VanDerWaalsContact N-OH 3.17Å; V19-Y102 HydrophobicContact CG1-CD1 4.28Å; V19-Y102 HydrophobicContact CG1-CE1 4.06Å; V51-Y102 HydrophobicContact CG1-CD1 4.18Å; K52-Y102 CarbonylContact O-C 3.59Å; K52-Y102 VanDerWaalsContact O-CA 3.3Å; K52-Y102 WeakPolarHBondContact O-CA 3.39Å; K53-Y102 HydrophobicContact CB-CD1 3.78Å; K53-Y102 HydrophobicContact CB-CE1 3.64Å; K53-Y102 HydrophobicContact CD-CE1 3.64Å; K53-Y102 WeakPolarHBondContact CD-OH 3.34Å; K53-Y102 WeakPolarHBondContact CE-OH 3.11Å; K53-Y102 HydrophobicContact CG-CD1 4.09Å; K53-Y102 HydrophobicContact CG-CE1 3.6Å; K53-Y102 PolarHBondContact NZ-OH 3Å; V88-Y102 WeakPolarHBondContact CA-O 3.42Å; V88-Y102 WeakPolarHBondContact CG2-O 3.35Å; F89-Y102 AromaticContact CD2-CD2 3.84Å; F89-Y102 HydrophobicContact CD2-CD2 3.84Å; F89-Y102 AromaticContact CD2-CG 3.95Å; F89-Y102 HydrophobicContact CD2-CG 3.95Å; F89-Y102 AromaticContact CE2-CD1 3.88Å; F89-Y102 HydrophobicContact CE2-CD1 3.88Å; F89-Y102 AromaticContact CE2-CD2 3.51Å; F89-Y102 HydrophobicContact CE2-CD2 3.51Å; F89-Y102 HydrophobicContact CE2-CE2 4.23Å; F89-Y102 AromaticContact CE2-CG 3.3Å; F89-Y102 HydrophobicContact CE2-CG 3.3Å; F89-Y102 AromaticContact CZ-CD1 3.99Å; F89-Y102 HydrophobicContact CZ-CD1 3.99Å; F89-Y102 HydrophobicContact CZ-CD2 4.34Å; F89-Y102 AromaticContact CZ-CG 3.67Å; F89-Y102 HydrophobicContact CZ-CG 3.67Å; F89-Y102 PolarHBondContact N-O 3.41Å; F89-Y102 PolarHBondContact O-N 3.32Å; P91-Y102 HydrophobicContact CG-CE2 4.4Å; E100-Y102 HydrophobicContact CB-CD2 4.5Å; E100-Y102 HydrophobicContact CB-CE2 3.75Å; E100-Y102 WeakPolarHBondContact OE2-CE2 3.41Å; E100-Y102 PolarHBondContact OE2-OH 3.42Å
103L95.4Very high90.6Very high3 Ų344 Ų442%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-111.4129.4178.3-54.7171.6000108.7V51 K52 L54 E70 L71 L74 L85 V88 L101V51-L103 CarbonylContact C-O 3.39Å; V51-L103 WeakPolarHBondContact CA-O 3.28Å; K52-L103 HydrophobicContact CB-CB 4.45Å; K52-L103 PolarHBondContact N-O 3.44Å; K52-L103 PolarHBondContact O-N 2.99Å; L54-L103 HydrophobicContact CD1-CD1 4.45Å; L54-L103 HydrophobicContact CD2-CD1 4.07Å; L54-L103 HydrophobicContact CG-CD1 4.34Å; E70-L103 HydrophobicContact CG-CD1 4.2Å; L71-L103 HydrophobicContact CD1-CD2 3.88Å; L74-L103 HydrophobicContact CD1-CD1 3.82Å; L85-L103 HydrophobicContact CD1-CB 4.08Å; L85-L103 HydrophobicContact CD1-CD2 4.06Å; V88-L103 HydrophobicContact CB-CD2 4.42Å; V88-L103 HydrophobicContact CG2-CD2 3.92Å; L101-L103 HydrophobicContact CD2-CD2 4.45Å; L101-L103 HydrophobicContact CG-CD2 4.39Å
104V95.9Very high90.4Very high0 Ų044.7 Ų44.70%025%0.254CS..EExtended strand (participates in β ladder)trans-111.1128.7179-172.10000109.2Y23 V49 A50 V51 L86 D87 F89Y23-V104 HydrophobicContact CE1-CG1 3.9Å; Y23-V104 HydrophobicContact CE1-CG2 4.33Å; Y23-V104 HydrophobicContact CE2-CG2 4.13Å; V49-V104 HydrophobicContact CB-CG1 3.76Å; V49-V104 HydrophobicContact CG1-CG1 4.19Å; V49-V104 HydrophobicContact CG2-CG1 3.8Å; A50-V104 WeakPolarHBondContact O-CA 3.28Å; V51-V104 HydrophobicContact CG1-CG2 4.33Å; V51-V104 HydrophobicContact CG2-CG1 4.46Å; V51-V104 HydrophobicContact CG2-CG2 4.28Å; L86-V104 HydrophobicContact CB-CG1 4.36Å; L86-V104 PolarHBondContact N-O 3.43Å; D87-V104 HydrophobicContact CB-CB 3.76Å; D87-V104 HydrophobicContact CB-CG1 4.41Å; D87-V104 HydrophobicContact CB-CG2 3.88Å; D87-V104 PolarHBondContact N-O 3.44Å; D87-V104 WeakPolarHBondContact O-CB 3.47Å; D87-V104 PolarHBondContact O-N 3.26Å; F89-V104 HydrophobicContact CD1-CG2 4.05Å; F89-V104 HydrophobicContact CE1-CG2 3.61Å
105T94.1Very high90Very high21 Ų2143.2 Ų43.213%0.12924%0.243CC..EExtended strand (participates in β ladder)trans-139.2172.5-177.161.80000110.3V49 A50 I83 G84 L86 L107V49-T105 WeakPolarHBondContact CA-O 3.31Å; V49-T105 WeakPolarHBondContact CB-O 3.32Å; A50-T105 PolarHBondContact N-O 2.86Å; A50-T105 PolarHBondContact O-N 3.36Å; I83-T105 HydrophobicContact CG1-CG2 4.06Å; G84-T105 WeakPolarHBondContact O-CG2 3.41Å; L86-T105 VanDerWaalsContact CD1-C 3.47Å; T105-L107 PolarHBondContact O-N 2.83Å
106N90.9Very high89.6Confident39 Ų3941.5 Ų41.521%0.20924%0.235CC..EExtended strand (participates in β ladder)trans-58.6135.5171.7-65.389.2000110.6I83 M108I83-N106 HydrophobicContact CD1-CB 4.46Å; N106-M108 PolarHBondContact O-N 3.45Å
107L90.8Very high89.1Confident52 Ų5239.5 Ų39.527%0.27222%0.224SC..PPolyproline II helixtrans-73.3120.3171.8-177.365.9000109.1V29 K48 A50 T105V29-L107 HydrophobicContact CG2-CD1 4.45Å; K48-L107 HydrophobicContact CB-CB 4.35Å; K48-L107 HydrophobicContact CB-CD2 3.76Å; K48-L107 HydrophobicContact CD-CD2 4.06Å; A50-L107 HydrophobicContact CB-CD1 4.01Å; T105-L107 PolarHBondContact O-N 2.83Å
108M88Confident88.6Confident31 Ų3142.5 Ų42.515%0.15323%0.232CC..PPolyproline II helixtrans-95.1151.3171.9-55.5-59.5-67.200110.4N106 A156 R164N106-M108 PolarHBondContact O-N 3.45Å; M108-A156 HydrophobicContact CB-CB 3.57Å; M108-A156 HydrophobicContact CE-CB 4.1Å; M108-A156 WeakPolarHBondContact CE-O 3.48Å; M108-A156 HydrophobicContact CG-CB 3.7Å; M108-R164 HydrophobicContact CE-CB 3.85Å; M108-R164 HydrophobicContact CE-CG 3.76Å; M108-R164 HydrophobicContact SD-CB 4.17Å; M108-R164 HydrophobicContact SD-CG 3.94Å
109G82.6Confident88Confident63 Ų6348.7 Ų48.765%0.64926%0.261SS*.  trans-76.4-64.2-176.300000113.1V157G109-V157 PolarHBondContact N-O 3.36Å
110A85.8Confident87.7Confident37 Ų3755.3 Ų55.331%0.30628%0.279SS..EExtended strand (participates in β ladder)trans-137160.7-179.100000111.2I115 A156 V157A110-I115 HydrophobicContact CB-CD1 4.36Å; A110-I115 HydrophobicContact CB-CG1 4.19Å; A110-A156 CarbonylContact O-C 3.57Å; A110-A156 WeakPolarHBondContact O-CA 3.47Å; A110-V157 PolarHBondContact N-O 2.92Å; A110-V157 PolarHBondContact O-N 3.38Å
111D86.9Confident87.6Confident35 Ų3554.4 Ų54.419%0.18728%0.275CS..EExtended strand (participates in β ladder)trans-91.2155.7165.962.884000111.7N113 N114 I115 V155D111-N113 PolarHBondContact O-N 3.18Å; D111-N113 WeakPolarHBondContact OD1-CA 3.26Å; D111-N113 WeakPolarHBondContact OD1-CB 3.41Å; D111-N113 PolarHBondContact OD1-N 3Å; D111-N113 VanDerWaalsContact OD1-N 3.1Å; D111-N113 PolarHBondContact OD1-ND2 3.43Å; D111-N114 PolarHBondContact O-N 3.21Å; D111-N114 PolarHBondContact OD1-N 3.17Å; D111-N114 PolarHBondContact OD2-ND2 3.37Å; D111-I115 PolarHBondContact O-N 2.79Å; D111-I115 VanDerWaalsContact O-N 3.17Å; D111-V155 WeakPolarHBondContact CA-O 3.31Å
112L86.8Confident87.5Confident1 Ų157 Ų571%0.00529%0.293CS..Hα-helixtrans-57.5-33.1179.1-77.2-174000112.2N114 I115 V116 L129 P152 V155 V157 I211L112-N114 PolarHBondContact O-N 3.07Å; L112-I115 HydrophobicContact CD2-CD1 4.25Å; L112-I115 PolarHBondContact O-N 3.11Å; L112-I115 VanDerWaalsContact O-N 3.17Å; L112-V116 WeakPolarHBondContact O-CG1 3.47Å; L112-V116 WeakPolarHBondContact O-CG2 3.5Å; L112-V116 PolarHBondContact O-N 3.18Å; L112-L129 HydrophobicContact CD2-CD1 3.95Å; L112-L129 HydrophobicContact CD2-CD2 4.36Å; L112-P152 HydrophobicContact CB-CB 3.76Å; L112-P152 PolarHBondContact N-O 3.32Å; L112-P152 VanDerWaalsContact N-O 3.16Å; L112-V155 HydrophobicContact CB-CB 4.46Å; L112-V155 HydrophobicContact CD1-CB 3.79Å; L112-V155 HydrophobicContact CD1-CG1 3.42Å; L112-V155 VanDerWaalsContact CD1-CG1 3.42Å; L112-V155 HydrophobicContact CG-CB 4.03Å; L112-V155 HydrophobicContact CG-CG1 3.77Å; L112-V155 PolarHBondContact N-O 3.36Å; L112-V157 HydrophobicContact CD2-CG2 3.57Å; L112-V157 HydrophobicContact CG-CG2 3.97Å; L112-I211 HydrophobicContact CD1-CG2 4.13Å
113N85.7Confident87.5Confident45 Ų4559.5 Ų59.524%0.24131%0.306CS..Hα-helixtrans-63.8-28.1178150.493.8000112.3D111 K117 P152D111-N113 PolarHBondContact O-N 3.18Å; D111-N113 WeakPolarHBondContact OD1-CA 3.26Å; D111-N113 WeakPolarHBondContact OD1-CB 3.41Å; D111-N113 PolarHBondContact OD1-N 3Å; D111-N113 VanDerWaalsContact OD1-N 3.1Å; D111-N113 PolarHBondContact OD1-ND2 3.43Å; N113-K117 VanDerWaalsContact CG-NZ 3.35Å; N113-K117 PolarHBondContact ND2-NZ 2.87Å; N113-K117 VanDerWaalsContact O-CD 3.24Å; N113-K117 WeakPolarHBondContact O-CD 3.12Å; N113-K117 WeakPolarHBondContact O-CE 3.18Å; N113-K117 VanDerWaalsContact O-CG 3.27Å; N113-K117 WeakPolarHBondContact O-CG 3.46Å; N113-K117 VanDerWaalsContact OD1-CE 3.29Å; N113-K117 WeakPolarHBondContact OD1-CE 3.19Å; N113-K117 PolarHBondContact OD1-NZ 3.25Å; N113-P152 HydrophobicContact CB-CB 3.74Å; N113-P152 PolarHBondContact N-O 3.21Å
114N82.9Confident87.5Confident64 Ų6465 Ų6534%0.34233%0.332SS..Hα-helixtrans-80-41.2171.3-68-27.5000111.6D111 L112 V116 K117 F118D111-N114 PolarHBondContact O-N 3.21Å; D111-N114 PolarHBondContact OD1-N 3.17Å; D111-N114 PolarHBondContact OD2-ND2 3.37Å; L112-N114 PolarHBondContact O-N 3.07Å; N114-V116 PolarHBondContact O-N 2.93Å; N114-K117 PolarHBondContact O-N 3.42Å; N114-F118 WeakPolarHBondContact O-CD2 3.35Å
115I83.2Confident87.4Confident35 Ų3569 Ų6918%0.17935%0.351CS..Hα-helixtrans-59.5-48.9-179.5-66.4169.6000111.3A110 D111 L112 K117 F118 Q119 L121 V157A110-I115 HydrophobicContact CB-CD1 4.36Å; A110-I115 HydrophobicContact CB-CG1 4.19Å; D111-I115 PolarHBondContact O-N 2.79Å; D111-I115 VanDerWaalsContact O-N 3.17Å; L112-I115 HydrophobicContact CD2-CD1 4.25Å; L112-I115 PolarHBondContact O-N 3.11Å; L112-I115 VanDerWaalsContact O-N 3.17Å; I115-K117 PolarHBondContact O-N 3.32Å; I115-F118 PolarHBondContact O-N 3.1Å; I115-Q119 PolarHBondContact O-N 2.81Å; I115-L121 HydrophobicContact CG2-CD2 4.03Å; I115-V157 HydrophobicContact CD1-CB 3.71Å; I115-V157 HydrophobicContact CD1-CG1 4.12Å; I115-V157 HydrophobicContact CD1-CG2 4.11Å
116V82.6Confident87.5Confident19 Ų1968.1 Ų68.112%0.11535%0.345CS..Hα-helixtrans-66.1-22.5-177.7-61.10000114.4L112 N114 L215L112-V116 WeakPolarHBondContact O-CG1 3.47Å; L112-V116 WeakPolarHBondContact O-CG2 3.5Å; L112-V116 PolarHBondContact O-N 3.18Å; N114-V116 PolarHBondContact O-N 2.93Å; V116-L215 HydrophobicContact CG1-CD2 3.26Å; V116-L215 HydrophobicContact CG1-CG 4.43Å
117K80.1Confident87.8Confident125 Ų12566.8 Ų66.854%0.54334%0.338SS..Hα-helixtrans-74.3-30.2178-76.9172.1-172.8159.20112.7N113 N114 I115N113-K117 VanDerWaalsContact CG-NZ 3.35Å; N113-K117 PolarHBondContact ND2-NZ 2.87Å; N113-K117 VanDerWaalsContact O-CD 3.24Å; N113-K117 WeakPolarHBondContact O-CD 3.12Å; N113-K117 WeakPolarHBondContact O-CE 3.18Å; N113-K117 VanDerWaalsContact O-CG 3.27Å; N113-K117 WeakPolarHBondContact O-CG 3.46Å; N113-K117 VanDerWaalsContact OD1-CE 3.29Å; N113-K117 WeakPolarHBondContact OD1-CE 3.19Å; N113-K117 PolarHBondContact OD1-NZ 3.25Å; N114-K117 PolarHBondContact O-N 3.42Å; I115-K117 PolarHBondContact O-N 3.32Å
118F79.2Confident88.1Confident169 Ų16967.3 Ų67.374%0.74134%0.338SS*.Hα-helixtrans-109.1-18.1-171.4-61.3-65000113.3N114 I115N114-F118 WeakPolarHBondContact O-CD2 3.35Å; I115-F118 PolarHBondContact O-N 3.1Å
119Q80.7Confident88.5Confident130 Ų13066.2 Ų66.261%0.60733%0.333SS*.  trans-139.3140.7-173.5-64-177.3-11.900111.9I115I115-Q119 PolarHBondContact O-N 2.81Å
120R84.9Confident89.2Confident238 Ų23863.2 Ų63.290%0.89830%0.302SS*.PPolyproline II helixtrans-86.5128.8162.5-72.5-169.3178.1-1720.4108.3
121L90.7Very high89.8Confident36 Ų3662.1 Ų62.119%0.18829%0.29CS..PPolyproline II helixtrans-87146.4178.8-60.6176.8000110.1I115 H125 V126 L129 L215I115-L121 HydrophobicContact CG2-CD2 4.03Å; L121-H125 HydrophobicContact CB-CB 4.06Å; L121-H125 HydrophobicContact CD2-CB 4.28Å; L121-V126 HydrophobicContact CB-CG2 3.97Å; L121-L129 HydrophobicContact CD1-CD1 3.83Å; L121-L215 HydrophobicContact CD1-CD2 3.56Å
122S94.1Very high90.4Very high53 Ų5360.9 Ų60.937%0.37128%0.283SS..PPolyproline II helixtrans-74.2162.9167.369.50000110.3E124 H125 V126S122-E124 PolarHBondContact O-N 3.49Å; S122-H125 PolarHBondContact O-N 2.95Å; S122-H125 VanDerWaalsContact O-N 3.14Å; S122-H125 PolarHBondContact OG-N 2.93Å; S122-H125 PolarHBondContact OG-ND1 3.24Å; S122-V126 WeakPolarHBondContact O-CG2 3.49Å; S122-V126 PolarHBondContact O-N 3.02Å
123D95.9Very high90.9Very high53 Ų5360.9 Ų60.928%0.28328%0.283SS..Hα-helixtrans-55.5-41.1176-173.354.6000111.9H125 V126 Q127 N277 Y306D123-H125 PolarHBondContact O-N 2.92Å; D123-V126 PolarHBondContact O-N 2.87Å; D123-V126 VanDerWaalsContact O-N 3.15Å; D123-Q127 VanDerWaalsContact O-CB 3.28Å; D123-Q127 WeakPolarHBondContact O-CB 3.07Å; D123-Q127 PolarHBondContact O-N 3.34Å; D123-N277 WeakPolarHBondContact OD1-CB 3.3Å; D123-N277 WeakPolarHBondContact OD2-CB 3.17Å; D123-N277 PolarHBondContact OD2-ND2 2.78Å; D123-Y306 PolarHBondContact O-OH 3.24Å; D123-Y306 WeakPolarHBondContact OD1-CE2 3.36Å; D123-Y306 PolarHBondContact OD1-OH 3.28Å
124E95.7Very high91.6Very high118 Ų11858.8 Ų58.855%0.55127%0.271SS*.Hα-helixtrans-60.1-43176.6-171.3178.2-174.400112.5S122 V126 Q127 F128 Y310S122-E124 PolarHBondContact O-N 3.49Å; E124-V126 PolarHBondContact O-N 3.47Å; E124-Q127 PolarHBondContact O-N 3.38Å; E124-F128 WeakPolarHBondContact O-CB 3.48Å; E124-F128 PolarHBondContact O-N 2.76Å; E124-Y310 WeakPolarHBondContact CG-OH 3.33Å
125H94.4Very high92.3Very high86 Ų8656.2 Ų56.240%0.39826%0.257SS..Hα-helixtrans-64-41.8174.3-69.9106.1000111.5L121 S122 D123 L129L121-H125 HydrophobicContact CB-CB 4.06Å; L121-H125 HydrophobicContact CD2-CB 4.28Å; S122-H125 PolarHBondContact O-N 2.95Å; S122-H125 VanDerWaalsContact O-N 3.14Å; S122-H125 PolarHBondContact OG-N 2.93Å; S122-H125 PolarHBondContact OG-ND1 3.24Å; D123-H125 PolarHBondContact O-N 2.92Å; H125-L129 WeakPolarHBondContact O-CB 3.21Å; H125-L129 WeakPolarHBondContact O-CD1 3.42Å; H125-L129 WeakPolarHBondContact O-CG 3.44Å; H125-L129 PolarHBondContact O-N 2.93Å
126V96Very high93Very high1 Ų154.5 Ų54.51%0.00625%0.248CC..Hα-helixtrans-63.8-46177.2177.80000110.6L121 S122 D123 E124 F128 L129 I130 M212 L215 L216L121-V126 HydrophobicContact CB-CG2 3.97Å; S122-V126 WeakPolarHBondContact O-CG2 3.49Å; S122-V126 PolarHBondContact O-N 3.02Å; D123-V126 PolarHBondContact O-N 2.87Å; D123-V126 VanDerWaalsContact O-N 3.15Å; E124-V126 PolarHBondContact O-N 3.47Å; V126-F128 PolarHBondContact O-N 3.1Å; V126-L129 PolarHBondContact O-N 3.24Å; V126-I130 HydrophobicContact CG1-CG1 4.12Å; V126-I130 WeakPolarHBondContact O-CB 3.49Å; V126-I130 VanDerWaalsContact O-CG1 3.29Å; V126-I130 WeakPolarHBondContact O-CG1 3.36Å; V126-I130 PolarHBondContact O-N 3.25Å; V126-M212 HydrophobicContact CG1-CG 4.36Å; V126-L215 HydrophobicContact CG1-CB 4.22Å; V126-L215 HydrophobicContact CG1-CD1 4.38Å; V126-L215 HydrophobicContact CG2-CB 3.93Å; V126-L216 HydrophobicContact CB-CD2 4.37Å; V126-L216 HydrophobicContact CG1-CD2 4.01Å; V126-L216 HydrophobicContact CG1-CG 4.15Å; V126-L216 HydrophobicContact CG2-CD2 4.24Å
127Q97.4Very high93.7Very high12 Ų1253.6 Ų53.66%0.05624%0.243CC..Hα-helixtrans-56.1-50.1177.7-166.7-171.416.600110.8D123 E124 Y131 Y306 F307 Y310D123-Q127 VanDerWaalsContact O-CB 3.28Å; D123-Q127 WeakPolarHBondContact O-CB 3.07Å; D123-Q127 PolarHBondContact O-N 3.34Å; E124-Q127 PolarHBondContact O-N 3.38Å; Q127-Y131 VanDerWaalsContact O-CB 3.23Å; Q127-Y131 WeakPolarHBondContact O-CB 3.38Å; Q127-Y131 PolarHBondContact O-N 3.38Å; Q127-Y306 HydrophobicContact CB-CE1 4.06Å; Q127-Y306 HydrophobicContact CB-CE2 4.41Å; Q127-Y306 VanDerWaalsContact CD-O 3.28Å; Q127-Y306 HydrophobicContact CG-CD1 4.33Å; Q127-Y306 HydrophobicContact CG-CE1 4.06Å; Q127-Y306 HydrophobicContact CG-CE2 4.28Å; Q127-Y306 WeakPolarHBondContact CG-O 3.43Å; Q127-Y306 PolarHBondContact NE2-O 2.97Å; Q127-F307 HydrophobicContact CG-CD1 3.97Å; Q127-F307 HydrophobicContact CG-CE1 4.36Å; Q127-F307 WeakPolarHBondContact O-CE1 3.22Å; Q127-Y310 HydrophobicContact CB-CE2 4.06Å; Q127-Y310 HydrophobicContact CG-CD2 3.99Å; Q127-Y310 HydrophobicContact CG-CE2 3.64Å
128F96.4Very high94.6Very high63 Ų6348.8 Ų48.828%0.27622%0.222SC..Hα-helixtrans-67.3-41-179.2-172.1-126.4000113.2E124 V126 Q132 C161 Y310E124-F128 WeakPolarHBondContact O-CB 3.48Å; E124-F128 PolarHBondContact O-N 2.76Å; V126-F128 PolarHBondContact O-N 3.1Å; F128-Q132 VanDerWaalsContact CD1-NE2 3.33Å; F128-Q132 HydrophobicContact CE2-CG 4.31Å; F128-Q132 HydrophobicContact CZ-CG 4.42Å; F128-Q132 WeakPolarHBondContact O-CG 3.32Å; F128-Q132 PolarHBondContact O-N 3.45Å; F128-Q132 VanDerWaalsContact O-N 3.11Å; F128-Q132 PolarHBondContact O-NE2 3.01Å; F128-C161 HydrophobicContact CD1-CB 4.13Å; F128-C161 HydrophobicContact CE1-CB 4.11Å; F128-Y310 HydrophobicContact CB-CE2 4.12Å; F128-Y310 AromaticContact CD2-CD1 3.92Å; F128-Y310 HydrophobicContact CD2-CD1 3.92Å; F128-Y310 AromaticContact CD2-CE1 3.77Å; F128-Y310 HydrophobicContact CD2-CE1 3.77Å; F128-Y310 HydrophobicContact CD2-CE2 4.42Å; F128-Y310 HydrophobicContact CD2-CG 4.33Å; F128-Y310 HydrophobicContact CE2-CD1 4.39Å; F128-Y310 HydrophobicContact CE2-CE1 4.43Å; F128-Y310 HydrophobicContact CG-CE1 4.47Å
129L96.7Very high95.5Very high7 Ų741.3 Ų41.34%0.03719%0.189CC..Hα-helixtrans-67.8-43.8177.9-70.9169000112L112 L121 H125 V126 Q132 L133 V157 L163L112-L129 HydrophobicContact CD2-CD1 3.95Å; L112-L129 HydrophobicContact CD2-CD2 4.36Å; L121-L129 HydrophobicContact CD1-CD1 3.83Å; H125-L129 WeakPolarHBondContact O-CB 3.21Å; H125-L129 WeakPolarHBondContact O-CD1 3.42Å; H125-L129 WeakPolarHBondContact O-CG 3.44Å; H125-L129 PolarHBondContact O-N 2.93Å; V126-L129 PolarHBondContact O-N 3.24Å; L129-Q132 PolarHBondContact O-N 3.2Å; L129-L133 WeakPolarHBondContact O-CB 3.1Å; L129-L133 PolarHBondContact O-N 3.04Å; L129-V157 HydrophobicContact CD2-CG1 4.08Å; L129-V157 HydrophobicContact CD2-CG2 3.87Å; L129-L163 HydrophobicContact CB-CD1 4.43Å; L129-L163 HydrophobicContact CD2-CB 4.43Å; L129-L163 HydrophobicContact CD2-CD1 4.14Å; L129-L163 WeakPolarHBondContact O-CD1 3.35Å
130I98.1Very high96.2Very high0 Ų035.1 Ų35.10%016%0.16CC..Hα-helixtrans-70.1-36.2178.8-62.4-58.3000111.1V126 L133 L134 V208 I211 M212 L215 F307V126-I130 HydrophobicContact CG1-CG1 4.12Å; V126-I130 WeakPolarHBondContact O-CB 3.49Å; V126-I130 VanDerWaalsContact O-CG1 3.29Å; V126-I130 WeakPolarHBondContact O-CG1 3.36Å; V126-I130 PolarHBondContact O-N 3.25Å; I130-L133 HydrophobicContact CD1-CD2 4.3Å; I130-L133 PolarHBondContact O-N 2.86Å; I130-L134 HydrophobicContact CG2-CD1 3.9Å; I130-L134 HydrophobicContact CG2-CG 4.25Å; I130-L134 WeakPolarHBondContact O-CB 3.45Å; I130-L134 WeakPolarHBondContact O-CG 3.26Å; I130-L134 PolarHBondContact O-N 3.17Å; I130-V208 HydrophobicContact CD1-CG1 4.45Å; I130-V208 HydrophobicContact CG2-CG1 4.08Å; I130-I211 HydrophobicContact CD1-CG2 4.35Å; I130-M212 HydrophobicContact CD1-CB 3.76Å; I130-M212 HydrophobicContact CD1-CG 4.36Å; I130-M212 HydrophobicContact CG1-CB 3.96Å; I130-M212 HydrophobicContact CG1-CG 4Å; I130-M212 HydrophobicContact CG1-SD 4.4Å; I130-M212 HydrophobicContact CG2-SD 4.24Å; I130-L215 HydrophobicContact CD1-CD1 3.8Å; I130-L215 HydrophobicContact CG1-CD1 4.21Å; I130-F307 HydrophobicContact CB-CE1 4.22Å; I130-F307 HydrophobicContact CB-CZ 4.21Å; I130-F307 HydrophobicContact CG2-CE1 4.18Å; I130-F307 HydrophobicContact CG2-CZ 3.66Å
131Y98.5Very high96.7Very high14 Ų1424.3 Ų24.36%0.05512%0.119CC..Hα-helixtrans-55.5-54.1171.8172.3-105000111.3Q127 L133 L134 R135 L302 F307 Y310Q127-Y131 VanDerWaalsContact O-CB 3.23Å; Q127-Y131 WeakPolarHBondContact O-CB 3.38Å; Q127-Y131 PolarHBondContact O-N 3.38Å; Y131-L133 VanDerWaalsContact C-N 3.31Å; Y131-L133 PolarHBondContact O-N 3.17Å; Y131-L134 PolarHBondContact O-N 2.98Å; Y131-R135 WeakPolarHBondContact O-CB 3.39Å; Y131-R135 PolarHBondContact O-N 3.29Å; Y131-L302 HydrophobicContact CD2-CD2 3.6Å; Y131-L302 HydrophobicContact CE2-CD2 3.58Å; Y131-F307 HydrophobicContact CD2-CB 4.09Å; Y131-F307 HydrophobicContact CD2-CD1 4.42Å; Y131-F307 HydrophobicContact CD2-CG 4.22Å; Y131-Y310 HydrophobicContact CD1-CG 4.43Å; Y131-Y310 VanDerWaalsContact CZ-O 3.27Å; Y131-Y310 PolarHBondContact OH-O 2.84Å; Y131-Y310 VanDerWaalsContact OH-O 3.05Å
132Q98.3Very high96.9Very high10 Ų1024.3 Ų24.35%0.04712%0.123CC..Hα-helixtrans-60.5-39178.5-73.3-179.683.900112.8N81 F128 L129 R135 G136 C161 L163N81-Q132 VanDerWaalsContact CB-O 3.23Å; N81-Q132 WeakPolarHBondContact CB-O 3.3Å; N81-Q132 WeakPolarHBondContact ND2-CB 3.35Å; N81-Q132 PolarHBondContact ND2-OE1 3.22Å; N81-Q132 VanDerWaalsContact ND2-OE1 3.07Å; F128-Q132 VanDerWaalsContact CD1-NE2 3.33Å; F128-Q132 HydrophobicContact CE2-CG 4.31Å; F128-Q132 HydrophobicContact CZ-CG 4.42Å; F128-Q132 WeakPolarHBondContact O-CG 3.32Å; F128-Q132 PolarHBondContact O-N 3.45Å; F128-Q132 VanDerWaalsContact O-N 3.11Å; F128-Q132 PolarHBondContact O-NE2 3.01Å; L129-Q132 PolarHBondContact O-N 3.2Å; Q132-R135 PolarHBondContact O-N 2.78Å; Q132-G136 PolarHBondContact O-N 3.39Å; Q132-C161 PolarHBondContact NE2-O 3.43Å; Q132-L163 HydrophobicContact CB-CB 3.91Å; Q132-L163 HydrophobicContact CB-CD2 4.36Å
133L98.3Very high96.9Very high1 Ų121.9 Ų21.91%0.00511%0.106CC..Hα-helixtrans-63.2-44.8176.3-179.656.1000111.5L129 I130 Y131 L137 L150 V155 L163 I165 V208 I211L129-L133 WeakPolarHBondContact O-CB 3.1Å; L129-L133 PolarHBondContact O-N 3.04Å; I130-L133 HydrophobicContact CD1-CD2 4.3Å; I130-L133 PolarHBondContact O-N 2.86Å; Y131-L133 VanDerWaalsContact C-N 3.31Å; Y131-L133 PolarHBondContact O-N 3.17Å; L133-L137 VanDerWaalsContact O-CB 3.26Å; L133-L137 WeakPolarHBondContact O-CB 3.34Å; L133-L137 PolarHBondContact O-N 3.32Å; L133-L150 HydrophobicContact CD1-CD2 4.4Å; L133-V155 HydrophobicContact CD1-CG2 4.08Å; L133-L163 HydrophobicContact CB-CD1 4.13Å; L133-L163 HydrophobicContact CB-CD2 4.31Å; L133-L163 HydrophobicContact CD1-CD2 4.44Å; L133-I165 HydrophobicContact CD1-CD1 3.82Å; L133-I165 HydrophobicContact CD1-CG1 3.66Å; L133-V208 HydrophobicContact CD2-CB 4.47Å; L133-V208 HydrophobicContact CD2-CG1 4.15Å; L133-V208 HydrophobicContact CD2-CG2 3.92Å; L133-V208 HydrophobicContact CG-CG2 4.04Å; L133-I211 HydrophobicContact CD2-CD1 4.19Å
134L98.6Very high96.7Very high0 Ų021 Ų210%011%0.11CC..Hα-helixtrans-67.9-38.6176.9-72.4169.2000112.2I130 Y131 L137 K138 I205 V208 M287 A301 L302 F307I130-L134 HydrophobicContact CG2-CD1 3.9Å; I130-L134 HydrophobicContact CG2-CG 4.25Å; I130-L134 WeakPolarHBondContact O-CB 3.45Å; I130-L134 WeakPolarHBondContact O-CG 3.26Å; I130-L134 PolarHBondContact O-N 3.17Å; Y131-L134 PolarHBondContact O-N 2.98Å; L134-L137 PolarHBondContact O-N 3.3Å; L134-K138 PolarHBondContact O-N 3.36Å; L134-I205 HydrophobicContact CD2-CD1 3.97Å; L134-V208 HydrophobicContact CD2-CG1 4.07Å; L134-V208 HydrophobicContact CG-CG1 4.35Å; L134-M287 HydrophobicContact CD1-CE 3.85Å; L134-M287 HydrophobicContact CD2-CE 4.02Å; L134-M287 HydrophobicContact CG-CE 4.4Å; L134-A301 HydrophobicContact CD1-CB 3.74Å; L134-A301 HydrophobicContact CD2-CB 4Å; L134-A301 HydrophobicContact CG-CB 4.49Å; L134-L302 HydrophobicContact CB-CD2 3.8Å; L134-L302 HydrophobicContact CB-CG 3.97Å; L134-F307 HydrophobicContact CD1-CD2 4.45Å; L134-F307 HydrophobicContact CD1-CE2 3.47Å; L134-F307 VanDerWaalsContact CD1-CE2 3.47Å; L134-F307 HydrophobicContact CD1-CZ 3.7Å
135R98.5Very high96.4Very high10 Ų1015.5 Ų15.54%0.0388%0.084CC..Hα-helixtrans-60.5-49176-172.9-177172.4-113.67.4111.1H79 E80 N81 Y131 Q132 L137 K138 Y139 L302 D315 E316H79-R135 PolarHBondContact CE1-NH1 3.3Å; E80-R135 IonicContact OE2-CZ 2.65Å; E80-R135 IonicContact OE2-NH1 2.81Å; E80-R135 PolarHBondContact OE2-NH1 2.85Å; E80-R135 IonicContact OE2-NH2 3.92Å; E80-R135 PolarHBondContact OE2-NH2 3.43Å; N81-R135 WeakPolarHBondContact OD1-CD 3.42Å; N81-R135 PolarHBondContact OD1-NH1 3.44Å; Y131-R135 WeakPolarHBondContact O-CB 3.39Å; Y131-R135 PolarHBondContact O-N 3.29Å; Q132-R135 PolarHBondContact O-N 2.78Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-L137 PolarHBondContact O-N 3.12Å; R135-K138 PolarHBondContact O-N 2.91Å; R135-Y139 PolarHBondContact O-N 2.91Å; R135-L302 HydrophobicContact CB-CD2 4.21Å; R135-D315 IonicContact CZ-OD1 2.76Å; R135-D315 PolarHBondContact NE-O 3.44Å; R135-D315 VanDerWaalsContact NH2-CG 3.34Å; R135-D315 PolarHBondContact NH2-O 3.41Å; R135-D315 IonicContact NH2-OD1 2.66Å; R135-D315 PolarHBondContact NH2-OD1 3.49Å; R135-D315 IonicContact NH2-OD2 2.66Å; R135-D315 PolarHBondContact NH2-OD2 2.95Å; R135-E316 HydrophobicContact CG-CG 4.28Å
136G97.9Very high96.2Very high0 Ų011.4 Ų11.40%07%0.065CC..Hα-helixtrans-62.7-36.7173.300000113Q132 Y139 I140Q132-G136 PolarHBondContact O-N 3.39Å; G136-Y139 PolarHBondContact O-N 3.14Å; G136-I140 WeakPolarHBondContact O-CG1 3.43Å; G136-I140 PolarHBondContact O-N 2.72Å; G136-I140 VanDerWaalsContact O-N 3.11Å
137L97.8Very high95.9Very high0 Ų011.4 Ų11.40%07%0.065CC..Hα-helixtrans-70-38.7179.7-167.760.6000112.7L133 L134 R135 Y139 I140 H141 L150 D204 I205 V208 A298L133-L137 VanDerWaalsContact O-CB 3.26Å; L133-L137 WeakPolarHBondContact O-CB 3.34Å; L133-L137 PolarHBondContact O-N 3.32Å; L134-L137 PolarHBondContact O-N 3.3Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-L137 PolarHBondContact O-N 3.12Å; L137-Y139 VanDerWaalsContact C-N 3.31Å; L137-Y139 PolarHBondContact O-N 3.05Å; L137-I140 PolarHBondContact O-N 3.06Å; L137-H141 VanDerWaalsContact CD1-NE2 3.3Å; L137-H141 WeakPolarHBondContact CD1-NE2 3.47Å; L137-H141 WeakPolarHBondContact O-CB 3.3Å; L137-H141 VanDerWaalsContact O-CG 3.28Å; L137-H141 PolarHBondContact O-N 2.79Å; L137-L150 HydrophobicContact CD1-CD1 4.05Å; L137-L150 HydrophobicContact CD2-CD1 4.2Å; L137-D204 HydrophobicContact CD1-CB 3.85Å; L137-D204 HydrophobicContact CD2-CB 3.77Å; L137-D204 HydrophobicContact CG-CB 4.36Å; L137-I205 HydrophobicContact CD2-CD1 3.82Å; L137-V208 HydrophobicContact CD2-CG2 3.87Å; L137-A298 HydrophobicContact CB-CB 4.41Å; L137-A298 HydrophobicContact CG-CB 4.44Å
138K98.1Very high95.4Very high24 Ų2411.5 Ų11.510%0.1047%0.065CC..Hα-helixtrans-53.8-48.9170.9176.9-172.7-178.6-173.70110.7L134 R135 I140 H141 S142 A298 L302 E316L134-K138 PolarHBondContact O-N 3.36Å; R135-K138 PolarHBondContact O-N 2.91Å; K138-I140 PolarHBondContact O-N 3.45Å; K138-H141 PolarHBondContact O-N 3.45Å; K138-S142 WeakPolarHBondContact O-CB 3.45Å; K138-S142 PolarHBondContact O-N 2.95Å; K138-A298 HydrophobicContact CB-CB 4.16Å; K138-L302 HydrophobicContact CB-CD1 4Å; K138-L302 HydrophobicContact CD-CD1 3.71Å; K138-L302 HydrophobicContact CG-CD1 4.43Å; K138-E316 HydrophobicContact CD-CB 4.26Å; K138-E316 WeakPolarHBondContact CE-O 3.36Å; K138-E316 VanDerWaalsContact NZ-CB 3.29Å; K138-E316 PolarHBondContact NZ-O 3.48Å; K138-E316 IonicContact NZ-OE2 3.25Å; K138-E316 PolarHBondContact NZ-OE2 2.98Å
139Y97.6Very high94.9Very high12 Ų129 Ų95%0.0475%0.054CC..Hα-helixtrans-60.2-42.8177.9-175.9-87.2000112.5M77 K78 H79 V82 R135 G136 L137 S142 A143 A319M77-Y139 HydrophobicContact SD-CD1 4Å; M77-Y139 HydrophobicContact SD-CE1 3.74Å; K78-Y139 PolarHBondContact N-OH 2.79Å; H79-Y139 HydrophobicContact CB-CD1 3.69Å; H79-Y139 HydrophobicContact CB-CD2 3.93Å; H79-Y139 HydrophobicContact CB-CE1 3.95Å; H79-Y139 HydrophobicContact CB-CE2 4.15Å; H79-Y139 HydrophobicContact CB-CG 3.7Å; H79-Y139 AromaticContact CD2-CD2 3.56Å; H79-Y139 AromaticContact CD2-CG 3.67Å; H79-Y139 AromaticContact CG-CG 3.82Å; V82-Y139 HydrophobicContact CG2-CD1 4.49Å; R135-Y139 PolarHBondContact O-N 2.91Å; G136-Y139 PolarHBondContact O-N 3.14Å; L137-Y139 VanDerWaalsContact C-N 3.31Å; L137-Y139 PolarHBondContact O-N 3.05Å; Y139-S142 PolarHBondContact O-OG 3.43Å; Y139-S142 VanDerWaalsContact O-OG 3.12Å; Y139-A143 PolarHBondContact O-N 3.37Å; Y139-A319 HydrophobicContact CD1-CB 3.83Å; Y139-A319 HydrophobicContact CD2-CB 3.92Å; Y139-A319 HydrophobicContact CE1-CB 3.5Å; Y139-A319 HydrophobicContact CE2-CB 3.62Å; Y139-A319 HydrophobicContact CG-CB 4.02Å; Y139-A319 WeakPolarHBondContact O-CB 3.49Å
140I95.7Very high94.7Very high0 Ų08.8 Ų8.80%05%0.053CC..Hα-helixtrans-65.1-46.4177-66160.7000110.7M77 V82 G136 L137 K138 A143 L145 I165 F168M77-I140 HydrophobicContact SD-CG1 4.28Å; V82-I140 HydrophobicContact CG1-CD1 4.48Å; V82-I140 HydrophobicContact CG2-CD1 3.99Å; V82-I140 HydrophobicContact CG2-CG1 4.02Å; G136-I140 WeakPolarHBondContact O-CG1 3.43Å; G136-I140 PolarHBondContact O-N 2.72Å; G136-I140 VanDerWaalsContact O-N 3.11Å; L137-I140 PolarHBondContact O-N 3.06Å; K138-I140 PolarHBondContact O-N 3.45Å; I140-A143 WeakPolarHBondContact O-CB 3.35Å; I140-A143 PolarHBondContact O-N 3.12Å; I140-L145 HydrophobicContact CG2-CB 3.8Å; I140-L145 WeakPolarHBondContact O-CB 3.48Å; I140-L145 PolarHBondContact O-N 3.43Å; I140-I165 HydrophobicContact CD1-CB 4.44Å; I140-I165 HydrophobicContact CD1-CD1 3.72Å; I140-I165 HydrophobicContact CD1-CG2 4.12Å; I140-F168 HydrophobicContact CD1-CE1 3.69Å; I140-F168 HydrophobicContact CD1-CZ 3.78Å; I140-F168 HydrophobicContact CG1-CE1 3.98Å; I140-F168 HydrophobicContact CG1-CZ 4.17Å; I140-F168 HydrophobicContact CG2-CE1 4.36Å
141H95.5Very high94.4Very high10 Ų1010.1 Ų10.15%0.0466%0.059CC..Hα-helixtrans-65-39.3-177.9-74-174.1000112L137 K138 A143 G144 L145 Q201 D204L137-H141 VanDerWaalsContact CD1-NE2 3.3Å; L137-H141 WeakPolarHBondContact CD1-NE2 3.47Å; L137-H141 WeakPolarHBondContact O-CB 3.3Å; L137-H141 VanDerWaalsContact O-CG 3.28Å; L137-H141 PolarHBondContact O-N 2.79Å; K138-H141 PolarHBondContact O-N 3.45Å; H141-A143 PolarHBondContact O-N 3.3Å; H141-G144 WeakPolarHBondContact O-CA 3.39Å; H141-G144 PolarHBondContact O-N 3.07Å; H141-L145 PolarHBondContact CD2-O 3.25Å; H141-L145 VanDerWaalsContact CD2-O 3.3Å; H141-Q201 PolarHBondContact CE1-O 2.97Å; H141-Q201 PolarHBondContact NE2-O 3.21Å; H141-D204 IonicContact CD2-OD2 2.88Å; H141-D204 IonicContact CE1-OD2 3.32Å; H141-D204 IonicContact NE2-OD2 3.55Å; H141-D204 PolarHBondContact NE2-OD2 3.11Å
142S95.9Very high94.1Very high36 Ų369.7 Ų9.725%0.2526%0.058SC..Hα-helixtrans-66.1-22.9176.881.60000113.1K138 Y139 G144 E318 A319K138-S142 WeakPolarHBondContact O-CB 3.45Å; K138-S142 PolarHBondContact O-N 2.95Å; Y139-S142 PolarHBondContact O-OG 3.43Å; Y139-S142 VanDerWaalsContact O-OG 3.12Å; S142-G144 PolarHBondContact O-N 2.93Å; S142-E318 WeakPolarHBondContact OG-CA 3.2Å; S142-E318 WeakPolarHBondContact OG-CB 3.44Å; S142-A319 PolarHBondContact OG-N 3.19Å; S142-A319 PolarHBondContact OG-O 2.88Å
143A93.9Very high93.6Very high3 Ų311.5 Ų11.53%0.0257%0.071CC..THydrogen-bonded Turntrans-74-4.1170.800000113.4Y139 I140 H141 L145 A319 Y322Y139-A143 PolarHBondContact O-N 3.37Å; I140-A143 WeakPolarHBondContact O-CB 3.35Å; I140-A143 PolarHBondContact O-N 3.12Å; H141-A143 PolarHBondContact O-N 3.3Å; A143-L145 HydrophobicContact CB-CD1 3.94Å; A143-L145 HydrophobicContact CB-CG 4.27Å; A143-A319 HydrophobicContact CB-CB 3.76Å; A143-Y322 PolarHBondContact O-N 2.91Å
144G90.6Very high93.3Very high35 Ų3512 Ų1236%0.3617%0.074SC..THydrogen-bonded Turntrans78.723.7-17300000113.5H141 S142 Q173H141-G144 WeakPolarHBondContact O-CA 3.39Å; H141-G144 PolarHBondContact O-N 3.07Å; S142-G144 PolarHBondContact O-N 2.93Å; G144-Q173 WeakPolarHBondContact O-CG 3.29Å
145L90.4Very high93.1Very high1 Ų112 Ų121%0.0057%0.074CC..  trans-111.1143.5-176-69166.4000111.7L73 M77 I140 H141 A143 Y322L73-L145 HydrophobicContact CD2-CD1 3.44Å; L73-L145 VanDerWaalsContact CD2-CD1 3.44Å; L73-L145 HydrophobicContact CD2-CD2 3.89Å; L73-L145 HydrophobicContact CD2-CG 4.33Å; M77-L145 HydrophobicContact CE-CD1 3.24Å; I140-L145 HydrophobicContact CG2-CB 3.8Å; I140-L145 WeakPolarHBondContact O-CB 3.48Å; I140-L145 PolarHBondContact O-N 3.43Å; H141-L145 PolarHBondContact CD2-O 3.25Å; H141-L145 VanDerWaalsContact CD2-O 3.3Å; A143-L145 HydrophobicContact CB-CD1 3.94Å; A143-L145 HydrophobicContact CB-CG 4.27Å; L145-Y322 HydrophobicContact CD1-CD1 4.2Å; L145-Y322 HydrophobicContact CD1-CG 4.05Å; L145-Y322 HydrophobicContact CD2-CD1 3.71Å; L145-Y322 HydrophobicContact CD2-CE1 4.3Å; L145-Y322 HydrophobicContact CD2-CG 4.36Å; L145-Y322 HydrophobicContact CG-CD1 4.27Å; L145-Y322 HydrophobicContact CG-CG 4.46Å
146I89.6Confident92.8Very high1 Ų111.7 Ų11.71%0.0057%0.074CC..BIsolated β-bridgetrans-112.7132.9169.5-48-178.9000108.4R148 A171 R172 T174 Y199 Q201 V203 D204I146-R148 HydrophobicContact CB-CG 3.82Å; I146-R148 HydrophobicContact CG2-CB 4.5Å; I146-R148 HydrophobicContact CG2-CG 3.39Å; I146-A171 WeakPolarHBondContact O-CA 3.2Å; I146-A171 WeakPolarHBondContact O-CB 3.35Å; I146-R172 PolarHBondContact N-O 3.25Å; I146-R172 VanDerWaalsContact N-O 3.08Å; I146-R172 PolarHBondContact O-N 2.89Å; I146-T174 HydrophobicContact CD1-CG2 3.75Å; I146-T174 HydrophobicContact CG1-CG2 4.21Å; I146-Y199 HydrophobicContact CD1-CD2 4.31Å; I146-Y199 HydrophobicContact CD1-CE2 4.32Å; I146-Q201 HydrophobicContact CG1-CB 4.25Å; I146-V203 HydrophobicContact CG2-CG2 3.39Å; I146-D204 VanDerWaalsContact CG2-OD2 3.28Å; I146-D204 WeakPolarHBondContact CG2-OD2 3.41Å
147H90.9Very high92.5Very high0 Ų012 Ų120%08%0.075CC..  trans-71.5-45.6179.3-173.2-74.5000112.1D149 L150 L166 D204H147-D149 VanDerWaalsContact CE1-C 3.46Å; H147-D149 PolarHBondContact CE1-O 2.86Å; H147-D149 VanDerWaalsContact ND1-C 3.3Å; H147-D149 PolarHBondContact ND1-N 3.31Å; H147-D149 PolarHBondContact O-N 3.07Å; H147-L150 HydrophobicContact CB-CD2 4.44Å; H147-L150 HydrophobicContact CB-CG 4.01Å; H147-L150 PolarHBondContact ND1-N 2.82Å; H147-L150 VanDerWaalsContact ND1-N 3.14Å; H147-L166 PolarHBondContact NE2-O 3.16Å; H147-D204 PolarHBondContact N-OD2 3.32Å
148R86.3Confident91.9Very high15 Ų1513.8 Ų13.86%0.0579%0.085CC..  trans65.8-14.1174.6-56.1-177.5178.8-160.3-2.3117.4I146 R172 Q173 T174 D176 Y199 D204I146-R148 HydrophobicContact CB-CG 3.82Å; I146-R148 HydrophobicContact CG2-CB 4.5Å; I146-R148 HydrophobicContact CG2-CG 3.39Å; R148-R172 VanDerWaalsContact NH1-CG 3.31Å; R148-R172 VanDerWaalsContact NH1-NH1 3.11Å; R148-Q173 PolarHBondContact NH2-O 3.16Å; R148-T174 PolarHBondContact NH2-O 3.06Å; R148-D176 PolarHBondContact NH1-O 3.1Å; R148-D176 VanDerWaalsContact NH1-O 3.16Å; R148-Y199 PolarHBondContact NH1-OH 3.22Å; R148-Y199 PolarHBondContact NH2-OH 3.1Å; R148-D204 PolarHBondContact N-OD1 3.33Å
149D86.3Confident91.1Very high11 Ų1121.9 Ų21.96%0.05912%0.123CC..  trans-129.838.2176.6-164.342.6000112.1H147 K151 N154 L170H147-D149 VanDerWaalsContact CE1-C 3.46Å; H147-D149 PolarHBondContact CE1-O 2.86Å; H147-D149 VanDerWaalsContact ND1-C 3.3Å; H147-D149 PolarHBondContact ND1-N 3.31Å; H147-D149 PolarHBondContact O-N 3.07Å; D149-K151 VanDerWaalsContact CG-NZ 3.31Å; D149-K151 PolarHBondContact O-N 3.16Å; D149-K151 IonicContact OD1-NZ 3.61Å; D149-K151 PolarHBondContact OD1-NZ 3.35Å; D149-K151 IonicContact OD2-NZ 3.78Å; D149-K151 PolarHBondContact OD2-NZ 3.21Å; D149-N154 PolarHBondContact O-ND2 2.9Å; D149-N154 PolarHBondContact OD2-ND2 3.08Å; D149-L170 HydrophobicContact CB-CD1 4.02Å
150L92.4Very high90.5Very high2 Ų227 Ų271%0.0115%0.152CC..  trans-67.2126.8173.5-81.1-177.7000109.8L133 L137 H147 I165 Y187 D204 V208L133-L150 HydrophobicContact CD1-CD2 4.4Å; L137-L150 HydrophobicContact CD1-CD1 4.05Å; L137-L150 HydrophobicContact CD2-CD1 4.2Å; H147-L150 HydrophobicContact CB-CD2 4.44Å; H147-L150 HydrophobicContact CB-CG 4.01Å; H147-L150 PolarHBondContact ND1-N 2.82Å; H147-L150 VanDerWaalsContact ND1-N 3.14Å; L150-I165 HydrophobicContact CD2-CG2 3.9Å; L150-Y187 VanDerWaalsContact O-CB 3.32Å; L150-Y187 WeakPolarHBondContact O-CB 3.43Å; L150-D204 HydrophobicContact CD1-CB 3.88Å; L150-V208 HydrophobicContact CD1-CG2 4.09Å
151K91.4Very high90.1Very high28 Ų2828.8 Ų28.812%0.12216%0.163CC..  trans-161.3161.3177.760.6-171.6175.3-138.50108.4D149 S153 N154 Y187D149-K151 VanDerWaalsContact CG-NZ 3.31Å; D149-K151 PolarHBondContact O-N 3.16Å; D149-K151 IonicContact OD1-NZ 3.61Å; D149-K151 PolarHBondContact OD1-NZ 3.35Å; D149-K151 IonicContact OD2-NZ 3.78Å; D149-K151 PolarHBondContact OD2-NZ 3.21Å; K151-S153 WeakPolarHBondContact CE-OG 3.26Å; K151-S153 WeakPolarHBondContact CG-OG 3.5Å; K151-S153 PolarHBondContact O-N 3.2Å; K151-N154 WeakPolarHBondContact CE-ND2 3.33Å; K151-N154 HydrophobicContact CG-CB 4.21Å; K151-N154 PolarHBondContact O-N 3.44Å; K151-Y187 HydrophobicContact CB-CD2 3.49Å; K151-Y187 VanDerWaalsContact CB-CD2 3.49Å; K151-Y187 HydrophobicContact CB-CE2 3.91Å; K151-Y187 HydrophobicContact CB-CG 3.96Å
152P92.3Very high89.8Confident4 Ų433.1 Ų33.13%0.02618%0.184CC..G310 helixtrans-60.5-25-174.2-23.732.6000114.6L112 N113 N154 V155 Y187 I211L112-P152 HydrophobicContact CB-CB 3.76Å; L112-P152 PolarHBondContact N-O 3.32Å; L112-P152 VanDerWaalsContact N-O 3.16Å; N113-P152 HydrophobicContact CB-CB 3.74Å; N113-P152 PolarHBondContact N-O 3.21Å; P152-N154 VanDerWaalsContact C-N 3.27Å; P152-N154 PolarHBondContact O-N 3.45Å; P152-V155 PolarHBondContact O-N 3.45Å; P152-V155 VanDerWaalsContact O-O 3.12Å; P152-Y187 WeakPolarHBondContact CD-OH 3.17Å; P152-Y187 HydrophobicContact CG-CE1 3.66Å; P152-Y187 HydrophobicContact CG-CE2 4.47Å; P152-Y187 WeakPolarHBondContact CG-OH 3.27Å; P152-I211 HydrophobicContact CG-CG1 4.07Å
153S88.4Confident89.7Confident48 Ų4831.5 Ų31.534%0.33617%0.172SC..G310 helixtrans-72.8-17.517469.50000114.2K151K151-S153 WeakPolarHBondContact CE-OG 3.26Å; K151-S153 WeakPolarHBondContact CG-OG 3.5Å; K151-S153 PolarHBondContact O-N 3.2Å
154N91.7Very high89.8Confident13 Ų1333.7 Ų33.77%0.0718%0.18CC..G310 helixtrans-100.311.7177.5-70.2-0.3000111.5D149 K151 P152 L166D149-N154 PolarHBondContact O-ND2 2.9Å; D149-N154 PolarHBondContact OD2-ND2 3.08Å; K151-N154 WeakPolarHBondContact CE-ND2 3.33Å; K151-N154 HydrophobicContact CG-CB 4.21Å; K151-N154 PolarHBondContact O-N 3.44Å; P152-N154 VanDerWaalsContact C-N 3.27Å; P152-N154 PolarHBondContact O-N 3.45Å; N154-L166 WeakPolarHBondContact O-CB 3.45Å; N154-L166 PolarHBondContact O-N 3.26Å
155V93.4Very high90Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-124.3107.6176.3-177.50000107D111 L112 L133 P152 L163 I211D111-V155 WeakPolarHBondContact CA-O 3.31Å; L112-V155 HydrophobicContact CB-CB 4.46Å; L112-V155 HydrophobicContact CD1-CB 3.79Å; L112-V155 HydrophobicContact CD1-CG1 3.42Å; L112-V155 VanDerWaalsContact CD1-CG1 3.42Å; L112-V155 HydrophobicContact CG-CB 4.03Å; L112-V155 HydrophobicContact CG-CG1 3.77Å; L112-V155 PolarHBondContact N-O 3.36Å; L133-V155 HydrophobicContact CD1-CG2 4.08Å; P152-V155 PolarHBondContact O-N 3.45Å; P152-V155 VanDerWaalsContact O-O 3.12Å; V155-L163 HydrophobicContact CG1-CD1 3.26Å; V155-L163 HydrophobicContact CG1-CD2 3.92Å; V155-L163 HydrophobicContact CG1-CG 3.48Å; V155-L163 VanDerWaalsContact CG1-CG 3.48Å; V155-I211 HydrophobicContact CG2-CD1 4.41Å
156A92.2Very high90Very high3 Ų334 Ų343%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-102.3148-177.300000111.6M108 A110 L163 R164 L166M108-A156 HydrophobicContact CB-CB 3.57Å; M108-A156 HydrophobicContact CE-CB 4.1Å; M108-A156 WeakPolarHBondContact CE-O 3.48Å; M108-A156 HydrophobicContact CG-CB 3.7Å; A110-A156 CarbonylContact O-C 3.57Å; A110-A156 WeakPolarHBondContact O-CA 3.47Å; A156-L163 CarbonylContact O-C 3.59Å; A156-L163 VanDerWaalsContact O-CA 3.26Å; A156-L163 WeakPolarHBondContact O-CA 3.37Å; A156-R164 PolarHBondContact N-O 3.42Å; A156-R164 PolarHBondContact O-N 3.05Å; A156-L166 HydrophobicContact CB-CD1 3.57Å; A156-L166 HydrophobicContact CB-CD2 4.11Å; A156-L166 HydrophobicContact CB-CG 3.88Å
157V91.4Very high89.5Confident5 Ų535.7 Ų35.73%0.0318%0.182CC..EExtended strand (participates in β ladder)trans-136.7140.2-173.5-174.20000109.1G109 A110 L112 I115 L129 E162 L163G109-V157 PolarHBondContact N-O 3.36Å; A110-V157 PolarHBondContact N-O 2.92Å; A110-V157 PolarHBondContact O-N 3.38Å; L112-V157 HydrophobicContact CD2-CG2 3.57Å; L112-V157 HydrophobicContact CG-CG2 3.97Å; I115-V157 HydrophobicContact CD1-CB 3.71Å; I115-V157 HydrophobicContact CD1-CG1 4.12Å; I115-V157 HydrophobicContact CD1-CG2 4.11Å; L129-V157 HydrophobicContact CD2-CG1 4.08Å; L129-V157 HydrophobicContact CD2-CG2 3.87Å; V157-E162 VanDerWaalsContact CA-O 3.28Å; V157-E162 WeakPolarHBondContact CA-O 3.39Å; V157-L163 HydrophobicContact CG2-CB 4.45Å
158N85.7Confident88.4Confident38 Ų3835.8 Ų35.820%0.20318%0.182CC..  trans-98.9-177174.175.5-4000112.2D160 C161 E162N158-D160 PolarHBondContact O-N 3.46Å; N158-D160 PolarHBondContact OD1-N 2.9Å; N158-D160 VanDerWaalsContact OD1-N 3.1Å; N158-C161 PolarHBondContact O-N 3.43Å; N158-C161 VanDerWaalsContact O-N 3.17Å; N158-C161 PolarHBondContact OD1-N 3.09Å; N158-E162 PolarHBondContact N-O 3.3Å; N158-E162 VanDerWaalsContact N-O 3.11Å; N158-E162 PolarHBondContact ND2-OE2 3.17Å; N158-E162 WeakPolarHBondContact OD1-CA 3.34Å; N158-E162 VanDerWaalsContact OD1-CB 3.28Å; N158-E162 WeakPolarHBondContact OD1-CB 3.39Å; N158-E162 PolarHBondContact OD1-N 3.49Å
159E81.8Confident87.2Confident194 Ų19435.1 Ų35.191%0.90718%0.18SC*.THydrogen-bonded Turntrans-64-23.7-178.6-64.5177.3-176.900112.9C161E159-C161 VanDerWaalsContact C-N 3.3Å
160D83.8Confident86.1Confident121 Ų12136.9 Ų36.965%0.64719%0.189SC*.THydrogen-bonded Turntrans-90.110.4178.9-51.4-64.4000113N158 E162N158-D160 PolarHBondContact O-N 3.46Å; N158-D160 PolarHBondContact OD1-N 2.9Å; N158-D160 VanDerWaalsContact OD1-N 3.1Å; D160-E162 HydrophobicContact CB-CG 4.21Å; D160-E162 PolarHBondContact O-N 2.85Å
161C87.1Confident84.5Confident36 Ų3636.8 Ų36.824%0.24319%0.189CC..  trans61.121-174-64.20000114.8F128 Q132 N158 E159F128-C161 HydrophobicContact CD1-CB 4.13Å; F128-C161 HydrophobicContact CE1-CB 4.11Å; Q132-C161 PolarHBondContact NE2-O 3.43Å; N158-C161 PolarHBondContact O-N 3.43Å; N158-C161 VanDerWaalsContact O-N 3.17Å; N158-C161 PolarHBondContact OD1-N 3.09Å; E159-C161 VanDerWaalsContact C-N 3.3Å
162E89.5Confident83.2Confident102 Ų10236.6 Ų36.648%0.47719%0.187SC..  trans-76.8125.7172.3-57.7176.7152.900110.1V157 N158 D160V157-E162 VanDerWaalsContact CA-O 3.28Å; V157-E162 WeakPolarHBondContact CA-O 3.39Å; N158-E162 PolarHBondContact N-O 3.3Å; N158-E162 VanDerWaalsContact N-O 3.11Å; N158-E162 PolarHBondContact ND2-OE2 3.17Å; N158-E162 WeakPolarHBondContact OD1-CA 3.34Å; N158-E162 VanDerWaalsContact OD1-CB 3.28Å; N158-E162 WeakPolarHBondContact OD1-CB 3.39Å; N158-E162 PolarHBondContact OD1-N 3.49Å; D160-E162 HydrophobicContact CB-CG 4.21Å; D160-E162 PolarHBondContact O-N 2.85Å
163L94.9Very high81.6Confident1 Ų140 Ų401%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-101.4139.4-175.9178.3155000111.3N81 L129 Q132 L133 V155 A156 V157 I165N81-L163 WeakPolarHBondContact CA-O 3.4Å; N81-L163 HydrophobicContact CB-CD2 4.5Å; N81-L163 PolarHBondContact ND2-O 2.73Å; N81-L163 VanDerWaalsContact ND2-O 3.07Å; L129-L163 HydrophobicContact CB-CD1 4.43Å; L129-L163 HydrophobicContact CD2-CB 4.43Å; L129-L163 HydrophobicContact CD2-CD1 4.14Å; L129-L163 WeakPolarHBondContact O-CD1 3.35Å; Q132-L163 HydrophobicContact CB-CB 3.91Å; Q132-L163 HydrophobicContact CB-CD2 4.36Å; L133-L163 HydrophobicContact CB-CD1 4.13Å; L133-L163 HydrophobicContact CB-CD2 4.31Å; L133-L163 HydrophobicContact CD1-CD2 4.44Å; V155-L163 HydrophobicContact CG1-CD1 3.26Å; V155-L163 HydrophobicContact CG1-CD2 3.92Å; V155-L163 HydrophobicContact CG1-CG 3.48Å; V155-L163 VanDerWaalsContact CG1-CG 3.48Å; A156-L163 CarbonylContact O-C 3.59Å; A156-L163 VanDerWaalsContact O-CA 3.26Å; A156-L163 WeakPolarHBondContact O-CA 3.37Å; V157-L163 HydrophobicContact CG2-CB 4.45Å; L163-I165 HydrophobicContact CD2-CG1 4.26Å
164R95.2Very high79.9Confident49 Ų4940.2 Ų40.219%0.18520%0.202CC..EExtended strand (participates in β ladder)trans-129.3132.3165.5-63.8-168.2179.1-1182.9112.1E80 N81 V82 M108 A156 L166E80-R164 WeakPolarHBondContact O-CG 3.35Å; E80-R164 VanDerWaalsContact O-CZ 3.29Å; E80-R164 PolarHBondContact O-NE 3.42Å; E80-R164 PolarHBondContact O-NH1 3.45Å; N81-R164 WeakPolarHBondContact O-CA 3.48Å; V82-R164 PolarHBondContact O-NH1 2.82Å; V82-R164 VanDerWaalsContact O-NH1 3.08Å; M108-R164 HydrophobicContact CE-CB 3.85Å; M108-R164 HydrophobicContact CE-CG 3.76Å; M108-R164 HydrophobicContact SD-CB 4.17Å; M108-R164 HydrophobicContact SD-CG 3.94Å; A156-R164 PolarHBondContact N-O 3.42Å; A156-R164 PolarHBondContact O-N 3.05Å; R164-L166 HydrophobicContact CB-CD2 4.39Å
165I95.6Very high77.9Confident0 Ų045.9 Ų45.90%023%0.232CC..EExtended strand (participates in β ladder)trans-71.8131.5168.8-59.2169.7000109N81 I83 L133 I140 L150 L163 F168N81-I165 WeakPolarHBondContact O-CG1 3.13Å; N81-I165 PolarHBondContact O-N 2.95Å; I83-I165 WeakPolarHBondContact CB-O 3.18Å; I83-I165 VanDerWaalsContact CG2-O 3.28Å; I83-I165 WeakPolarHBondContact CG2-O 3.3Å; I83-I165 PolarHBondContact N-O 3.01Å; L133-I165 HydrophobicContact CD1-CD1 3.82Å; L133-I165 HydrophobicContact CD1-CG1 3.66Å; I140-I165 HydrophobicContact CD1-CB 4.44Å; I140-I165 HydrophobicContact CD1-CD1 3.72Å; I140-I165 HydrophobicContact CD1-CG2 4.12Å; L150-I165 HydrophobicContact CD2-CG2 3.9Å; L163-I165 HydrophobicContact CD2-CG1 4.26Å; I165-F168 HydrophobicContact CG2-CZ 4.4Å
166L89.9Confident75.6Confident43 Ų4348.9 Ų48.923%0.22525%0.249CC..  trans-116.3167.2-177-52.5-170.8000112.6I83 H147 N154 A156 R164I83-L166 HydrophobicContact CB-CD2 3.75Å; I83-L166 HydrophobicContact CD1-CD2 4.19Å; I83-L166 HydrophobicContact CG1-CD2 4.02Å; I83-L166 HydrophobicContact CG2-CD2 4.09Å; H147-L166 PolarHBondContact NE2-O 3.16Å; N154-L166 WeakPolarHBondContact O-CB 3.45Å; N154-L166 PolarHBondContact O-N 3.26Å; A156-L166 HydrophobicContact CB-CD1 3.57Å; A156-L166 HydrophobicContact CB-CD2 4.11Å; A156-L166 HydrophobicContact CB-CG 3.88Å; R164-L166 HydrophobicContact CB-CD2 4.39Å
167D78.3Confident73.2Confident37 Ų3757.2 Ų57.220%0.19829%0.287CS..  trans57.377.1168.2-163.24.3000116.1G169D167-G169 PolarHBondContact O-N 2.82Å; D167-G169 PolarHBondContact OD1-N 3.37Å
168F69.3Low71.1Confident2 Ų260.3 Ų60.31%0.00930%0.302CS..  trans-789.4169.5-65.9-77.8000114.2L73 M77 V82 I83 I140 I165 L170 A171L73-F168 HydrophobicContact CB-CB 4.1Å; L73-F168 HydrophobicContact CB-CG 4.43Å; L73-F168 HydrophobicContact CD1-CB 3.71Å; L73-F168 HydrophobicContact CD1-CG 4.5Å; M77-F168 HydrophobicContact CG-CE2 4.2Å; M77-F168 HydrophobicContact CG-CZ 4.2Å; V82-F168 HydrophobicContact CG1-CE2 3.6Å; V82-F168 HydrophobicContact CG1-CZ 3.34Å; I83-F168 HydrophobicContact CG2-CD2 4.35Å; I83-F168 HydrophobicContact CG2-CE2 3.96Å; I140-F168 HydrophobicContact CD1-CE1 3.69Å; I140-F168 HydrophobicContact CD1-CZ 3.78Å; I140-F168 HydrophobicContact CG1-CE1 3.98Å; I140-F168 HydrophobicContact CG1-CZ 4.17Å; I140-F168 HydrophobicContact CG2-CE1 4.36Å; I165-F168 HydrophobicContact CG2-CZ 4.4Å; F168-L170 PolarHBondContact O-N 3.37Å; F168-A171 HydrophobicContact CB-CB 4.17Å; F168-A171 HydrophobicContact CD1-CB 3.99Å; F168-A171 WeakPolarHBondContact O-CB 3.44Å; F168-A171 PolarHBondContact O-N 3.34Å
169G60.1Low68.7Low0 Ų064.7 Ų64.70%033%0.33CS..THydrogen-bonded Turntrans-61.2-13.6-172.500000114.7R69 D167R69-G169 PolarHBondContact NH2-O 2.83Å; D167-G169 PolarHBondContact O-N 2.82Å; D167-G169 PolarHBondContact OD1-N 3.37Å
170L63.7Low66.6Low49 Ų4958.6 Ų58.626%0.25732%0.32SS..THydrogen-bonded Turntrans-118.2-2.1176.4-61.7178.5000114.3D149 F168 R172D149-L170 HydrophobicContact CB-CD1 4.02Å; F168-L170 PolarHBondContact O-N 3.37Å; L170-R172 PolarHBondContact O-NE 3.2Å
171A58.7Low64.8Low0 Ų061.9 Ų61.90%032%0.324CS..  trans-67.8144.9-178.600000111.4R69 L73 I146 F168R69-A171 VanDerWaalsContact CD-O 3.32Å; R69-A171 WeakPolarHBondContact CD-O 3.31Å; R69-A171 VanDerWaalsContact CZ-O 3.26Å; R69-A171 PolarHBondContact NE-O 2.65Å; R69-A171 PolarHBondContact NH1-O 3.2Å; L73-A171 HydrophobicContact CD1-CB 4.02Å; I146-A171 WeakPolarHBondContact O-CA 3.2Å; I146-A171 WeakPolarHBondContact O-CB 3.35Å; F168-A171 HydrophobicContact CB-CB 4.17Å; F168-A171 HydrophobicContact CD1-CB 3.99Å; F168-A171 WeakPolarHBondContact O-CB 3.44Å; F168-A171 PolarHBondContact O-N 3.34Å
172R65.2Low62.7Low24 Ų2465.2 Ų65.29%0.09134%0.343CS..BIsolated β-bridgetrans-165.7167.2-178.657.2-169128.1140.111.2110.9I146 R148 L170 D176 E177 M178I146-R172 PolarHBondContact N-O 3.25Å; I146-R172 VanDerWaalsContact N-O 3.08Å; I146-R172 PolarHBondContact O-N 2.89Å; R148-R172 VanDerWaalsContact NH1-CG 3.31Å; R148-R172 VanDerWaalsContact NH1-NH1 3.11Å; L170-R172 PolarHBondContact O-NE 3.2Å; R172-D176 HydrophobicContact CG-CB 4.2Å; R172-E177 PolarHBondContact NH1-O 3.35Å; R172-M178 PolarHBondContact NH1-SD 2.86Å; R172-M178 PolarHBondContact NH2-SD 2.79Å
173Q57Low61.1Low74 Ų7462.1 Ų62.135%0.34634%0.335SS..  trans-62.8165.2174.4-84.7174.413.900112.2G144 R148 D175 Q324G144-Q173 WeakPolarHBondContact O-CG 3.29Å; R148-Q173 PolarHBondContact NH2-O 3.16Å; Q173-D175 PolarHBondContact O-N 3.43Å; Q173-D175 VanDerWaalsContact O-N 3.15Å; Q173-Q324 VanDerWaalsContact CG-OE1 3.26Å
174T52.6Low59.8Low53 Ų5365.3 Ų65.333%0.32536%0.355SS..THydrogen-bonded Turntrans-55-29.3-176.4460000114.3I146 R148I146-T174 HydrophobicContact CD1-CG2 3.75Å; I146-T174 HydrophobicContact CG1-CG2 4.21Å; R148-T174 PolarHBondContact NH2-O 3.06Å
175D49.8Very low59.3Low132 Ų13265 Ų6571%0.70635%0.354SS*.THydrogen-bonded Turntrans-99.11.9-161.2-58.2-12.5000115.3Q173Q173-D175 PolarHBondContact O-N 3.43Å; Q173-D175 VanDerWaalsContact O-N 3.15Å
176D46.6Very low59.1Low64 Ų6469.1 Ų69.134%0.34237%0.369SS..  trans-86.9120.2-177.1-88.3-11.7000114R148 R172 Y199R148-D176 PolarHBondContact NH1-O 3.1Å; R148-D176 VanDerWaalsContact NH1-O 3.16Å; R172-D176 HydrophobicContact CG-CB 4.2Å; D176-Y199 PolarHBondContact O-OH 3.1Å; D176-Y199 VanDerWaalsContact O-OH 3.09Å
177E40.2Very low59.3Low178 Ų17867.8 Ų67.883%0.83236%0.361SS*.  trans-62.4166.4172.8-80.1-166.7169.300114.2R172R172-E177 PolarHBondContact NH1-O 3.35Å
178M47.4Very low59.9Low70 Ų7067.5 Ų67.535%0.34536%0.357SS..  trans-122.2130.8-155.9-160.569.5-145.900112.7R172R172-M178 PolarHBondContact NH1-SD 2.86Å; R172-M178 PolarHBondContact NH2-SD 2.79Å
179T36.2Very low61Low129 Ų12967.4 Ų67.479%0.79136%0.357SS*.  trans-95.7126.8163.448.10000110.1Y181T179-Y181 PolarHBondContact O-N 3.09Å
180G38Very low62.4Low67 Ų6767.8 Ų67.869%0.69136%0.36SS*.  trans-72.4120.6-177.400000111.8
181Y45.4Very low63.4Low189 Ų18966 Ų6674%0.74135%0.35SS*.  trans-153161.3160.3-137.9-98.7000114.9T179T179-Y181 PolarHBondContact O-N 3.09Å
182V43.2Very low64.4Low107 Ų10767.2 Ų67.265%0.64836%0.356SS*.  trans-70.5107.7-160.6-172.60000112.6
183A55.9Low64.8Low37 Ų3767.1 Ų67.131%0.30636%0.357SS..SBendtrans-146.8174.9164.900000109.4R185A183-R185 PolarHBondContact O-N 3.46Å; A183-R185 VanDerWaalsContact O-N 3.1Å
184T67.9Low65.2Low68 Ų6865 Ų6542%0.41735%0.348SS..  trans-55.8114176-50.50000110.6W186 Y187T184-W186 HydrophobicContact CG2-CB 4.29Å; T184-W186 HydrophobicContact CG2-CD2 3.66Å; T184-W186 HydrophobicContact CG2-CE3 3.64Å; T184-W186 HydrophobicContact CG2-CG 3.95Å; T184-W186 HydrophobicContact CG2-CZ3 4.27Å; T184-Y187 HydrophobicContact CG2-CE2 4.3Å
185R84.1Confident65.9Low41 Ų4166.7 Ų66.716%0.15536%0.355CS..  trans-90.8-5.8-173.766.4-171.869.484.6-2.9114.6A183 Y187 R188 G224 T225 Q230A183-R185 PolarHBondContact O-N 3.46Å; A183-R185 VanDerWaalsContact O-N 3.1Å; R185-Y187 PolarHBondContact O-N 3.15Å; R185-Y187 VanDerWaalsContact O-N 3.09Å; R185-R188 PolarHBondContact O-N 3.09Å; R185-R188 VanDerWaalsContact O-N 3.09Å; R185-G224 PolarHBondContact NH1-O 2.88Å; R185-T225 VanDerWaalsContact NH1-C 3.34Å; R185-T225 PolarHBondContact NH1-O 2.84Å; R185-Q230 HydrophobicContact CG-CB 4.34Å; R185-Q230 HydrophobicContact CG-CG 4.11Å
186W92.4Very high66.6Low87 Ų8761.8 Ų61.833%0.3333%0.326SS..THydrogen-bonded Turntrans-61.1-24-167.4-57.5-24.8000115.3T184 V220 F222 G224 Q230T184-W186 HydrophobicContact CG2-CB 4.29Å; T184-W186 HydrophobicContact CG2-CD2 3.66Å; T184-W186 HydrophobicContact CG2-CE3 3.64Å; T184-W186 HydrophobicContact CG2-CG 3.95Å; T184-W186 HydrophobicContact CG2-CZ3 4.27Å; W186-V220 HydrophobicContact CB-CG1 3.8Å; W186-V220 HydrophobicContact CD2-CG1 3.82Å; W186-V220 HydrophobicContact CE3-CB 4.28Å; W186-V220 HydrophobicContact CE3-CG1 3.66Å; W186-V220 HydrophobicContact CE3-CG2 3.68Å; W186-V220 HydrophobicContact CG-CG1 3.92Å; W186-V220 HydrophobicContact CZ3-CG1 4.44Å; W186-V220 HydrophobicContact CZ3-CG2 3.75Å; W186-F222 WeakPolarHBondContact CB-O 3.36Å; W186-F222 VanDerWaalsContact CD1-O 3.23Å; W186-G224 PolarHBondContact NE1-O 3.04Å; W186-G224 VanDerWaalsContact NE1-O 3.13Å; W186-Q230 PolarHBondContact O-NE2 3.06Å
187Y93.6Very high67.1Low15 Ų1560.2 Ų60.26%0.05932%0.317CS..THydrogen-bonded Turntrans-108.2-0.7-177.9-48-86.7000112.9L150 K151 P152 T184 R185 S207 C210 I211 E214L150-Y187 VanDerWaalsContact O-CB 3.32Å; L150-Y187 WeakPolarHBondContact O-CB 3.43Å; K151-Y187 HydrophobicContact CB-CD2 3.49Å; K151-Y187 VanDerWaalsContact CB-CD2 3.49Å; K151-Y187 HydrophobicContact CB-CE2 3.91Å; K151-Y187 HydrophobicContact CB-CG 3.96Å; P152-Y187 WeakPolarHBondContact CD-OH 3.17Å; P152-Y187 HydrophobicContact CG-CE1 3.66Å; P152-Y187 HydrophobicContact CG-CE2 4.47Å; P152-Y187 WeakPolarHBondContact CG-OH 3.27Å; T184-Y187 HydrophobicContact CG2-CE2 4.3Å; R185-Y187 PolarHBondContact O-N 3.15Å; R185-Y187 VanDerWaalsContact O-N 3.09Å; Y187-S207 VanDerWaalsContact O-CA 3.31Å; Y187-S207 WeakPolarHBondContact O-CA 3.44Å; Y187-S207 WeakPolarHBondContact O-CB 3.38Å; Y187-S207 PolarHBondContact O-OG 3.42Å; Y187-C210 HydrophobicContact CD1-CB 3.73Å; Y187-C210 HydrophobicContact CG-CB 4.49Å; Y187-I211 HydrophobicContact CD1-CG1 3.95Å; Y187-I211 HydrophobicContact CE1-CG1 4.27Å; Y187-E214 WeakPolarHBondContact CE1-OE2 3.24Å; Y187-E214 PolarHBondContact OH-OE2 3.26Å
188R90.7Very high68.3Low31 Ų3160 Ų6012%0.11732%0.316CS..SBendtrans-77.4139.7-178.8-67.9-176.1178.1179.7-2110.3R185 M193 W206R185-R188 PolarHBondContact O-N 3.09Å; R185-R188 VanDerWaalsContact O-N 3.09Å; R188-M193 HydrophobicContact CB-CG 3.93Å; R188-M193 HydrophobicContact CB-SD 4.47Å; R188-W206 PolarHBondContact O-NE1 3.35Å
189A91.3Very high69.4Low0 Ų057.7 Ų57.70%030%0.304CS..  trans-62.4143.9173.300000111.2E191 I192 M193 V203 W206A189-E191 VanDerWaalsContact C-N 3.27Å; A189-E191 VanDerWaalsContact CB-CD 3.46Å; A189-E191 HydrophobicContact CB-CG 4.29Å; A189-E191 WeakPolarHBondContact CB-OE1 3.49Å; A189-E191 WeakPolarHBondContact CB-OE2 3.48Å; A189-E191 PolarHBondContact O-N 2.96Å; A189-I192 HydrophobicContact CB-CG1 4.47Å; A189-I192 PolarHBondContact O-N 3.31Å; A189-I192 VanDerWaalsContact O-N 3.13Å; A189-M193 PolarHBondContact O-N 3.29Å; A189-V203 HydrophobicContact CB-CB 3.99Å; A189-V203 HydrophobicContact CB-CG1 4.13Å; A189-W206 HydrophobicContact CB-CB 3.74Å; A189-W206 HydrophobicContact CB-CG 3.82Å
190P89.6Confident71.6Confident8 Ų853.6 Ų53.65%0.05228%0.277CS..Hα-helixtrans-58-39.7-178.121.5-31.3000111.6I192 M193 L194 W206 L231 I234 L290P190-I192 VanDerWaalsContact C-N 3.29Å; P190-I192 PolarHBondContact O-N 2.88Å; P190-M193 PolarHBondContact O-N 3.5Å; P190-L194 HydrophobicContact CB-CD1 4.28Å; P190-L194 WeakPolarHBondContact O-CB 3.36Å; P190-L194 WeakPolarHBondContact O-CD1 3.35Å; P190-L194 WeakPolarHBondContact O-CG 3.29Å; P190-L194 PolarHBondContact O-N 3.41Å; P190-W206 HydrophobicContact CG-CH2 4.3Å; P190-W206 HydrophobicContact CG-CZ2 4.41Å; P190-W206 HydrophobicContact CG-CZ3 4.35Å; P190-L231 HydrophobicContact CB-CD1 4.38Å; P190-I234 HydrophobicContact CB-CD1 4.46Å; P190-L290 HydrophobicContact CG-CD2 3.88Å
191E85.8Confident74.1Confident13 Ų1353.5 Ų53.56%0.06126%0.259CS..Hα-helixtrans-60.5-33.7178.262.5-85.9-156.700113.6A189 N195 V203 C292 R295A189-E191 VanDerWaalsContact C-N 3.27Å; A189-E191 VanDerWaalsContact CB-CD 3.46Å; A189-E191 HydrophobicContact CB-CG 4.29Å; A189-E191 WeakPolarHBondContact CB-OE1 3.49Å; A189-E191 WeakPolarHBondContact CB-OE2 3.48Å; A189-E191 PolarHBondContact O-N 2.96Å; E191-N195 PolarHBondContact O-N 3.05Å; E191-V203 HydrophobicContact CG-CG1 3.95Å; E191-V203 WeakPolarHBondContact OE1-CG1 3.36Å; E191-C292 WeakPolarHBondContact OE1-CB 3.32Å; E191-R295 IonicContact OE1-CZ 2.79Å; E191-R295 IonicContact OE1-NH1 2.79Å; E191-R295 PolarHBondContact OE1-NH1 3.06Å; E191-R295 IonicContact OE1-NH2 3.06Å; E191-R295 PolarHBondContact OE1-NH2 2.86Å; E191-R295 VanDerWaalsContact OE1-NH2 3.17Å; E191-R295 IonicContact OE2-NH2 2.72Å; E191-R295 PolarHBondContact OE2-NH2 2.73Å
192I79.9Confident76.3Confident25 Ų2545.2 Ų45.213%0.12823%0.227CC..Hα-helixtrans-71.9-45.7175.1-68.8-177.8000111.1A189 P190 L194 N195 Y199 V203A189-I192 HydrophobicContact CB-CG1 4.47Å; A189-I192 PolarHBondContact O-N 3.31Å; A189-I192 VanDerWaalsContact O-N 3.13Å; P190-I192 VanDerWaalsContact C-N 3.29Å; P190-I192 PolarHBondContact O-N 2.88Å; I192-L194 PolarHBondContact O-N 3Å; I192-L194 VanDerWaalsContact O-N 3.09Å; I192-N195 PolarHBondContact O-N 3.2Å; I192-Y199 HydrophobicContact CG1-CG 4.5Å; I192-V203 HydrophobicContact CD1-CB 3.54Å; I192-V203 HydrophobicContact CD1-CG1 3.73Å; I192-V203 HydrophobicContact CD1-CG2 3.82Å; I192-V203 HydrophobicContact CG1-CB 4.14Å; I192-V203 HydrophobicContact CG1-CG1 3.76Å
193M72.6Confident78.7Confident21 Ų2140.1 Ų40.110%0.10320%0.196CC..Hα-helixtrans-60.8-25.1-176.4-72.2172.746.300112.8R188 A189 P190 Y227 Q230 I234R188-M193 HydrophobicContact CB-CG 3.93Å; R188-M193 HydrophobicContact CB-SD 4.47Å; A189-M193 PolarHBondContact O-N 3.29Å; P190-M193 PolarHBondContact O-N 3.5Å; M193-Y227 HydrophobicContact CB-CD1 4.22Å; M193-Y227 HydrophobicContact CE-CD1 4.05Å; M193-Y227 HydrophobicContact CG-CD1 4.42Å; M193-Q230 HydrophobicContact CE-CB 3.46Å; M193-Q230 VanDerWaalsContact CE-CB 3.46Å; M193-Q230 HydrophobicContact CE-CG 3.21Å; M193-Q230 HydrophobicContact SD-CB 4.43Å; M193-Q230 HydrophobicContact SD-CG 3.52Å; M193-Q230 VanDerWaalsContact SD-CG 3.52Å; M193-I234 HydrophobicContact SD-CD1 4.37Å
194L66.7Low80.6Confident29 Ų2938.4 Ų38.415%0.15218%0.182CC..Hα-helixtrans-106.8-25.4-166.2-68.6179.2000110P190 I192 W196 L231P190-L194 HydrophobicContact CB-CD1 4.28Å; P190-L194 WeakPolarHBondContact O-CB 3.36Å; P190-L194 WeakPolarHBondContact O-CD1 3.35Å; P190-L194 WeakPolarHBondContact O-CG 3.29Å; P190-L194 PolarHBondContact O-N 3.41Å; I192-L194 PolarHBondContact O-N 3Å; I192-L194 VanDerWaalsContact O-N 3.09Å; L194-W196 VanDerWaalsContact C-N 3.31Å; L194-W196 HydrophobicContact CB-CB 4.4Å; L194-W196 HydrophobicContact CB-CD2 3.3Å; L194-W196 HydrophobicContact CB-CE3 3.57Å; L194-W196 HydrophobicContact CB-CG 3.69Å; L194-W196 HydrophobicContact CB-CH2 4.01Å; L194-W196 HydrophobicContact CB-CZ2 3.72Å; L194-W196 HydrophobicContact CB-CZ3 3.91Å; L194-W196 HydrophobicContact CD1-CD2 4.08Å; L194-W196 HydrophobicContact CD1-CE3 3.4Å; L194-W196 HydrophobicContact CD1-CH2 3.41Å; L194-W196 VanDerWaalsContact CD1-CH2 3.41Å; L194-W196 HydrophobicContact CD1-CZ2 4.03Å; L194-W196 HydrophobicContact CD1-CZ3 3.01Å; L194-W196 HydrophobicContact CD2-CH2 3.44Å; L194-W196 VanDerWaalsContact CD2-CH2 3.44Å; L194-W196 HydrophobicContact CD2-CZ2 3.41Å; L194-W196 VanDerWaalsContact CD2-CZ2 3.41Å; L194-W196 HydrophobicContact CD2-CZ3 4.02Å; L194-W196 HydrophobicContact CG-CD2 4.1Å; L194-W196 HydrophobicContact CG-CE3 3.94Å; L194-W196 HydrophobicContact CG-CH2 3.71Å; L194-W196 HydrophobicContact CG-CZ2 3.8Å; L194-W196 HydrophobicContact CG-CZ3 3.73Å; L194-W196 PolarHBondContact O-NE1 3.04Å; L194-L231 HydrophobicContact CD1-CD1 3.63Å; L194-L231 HydrophobicContact CD1-CD2 3.92Å; L194-L231 HydrophobicContact CD1-CG 4.36Å; L194-L231 HydrophobicContact CD2-CD2 4.03Å
195N66.3Low82Confident89 Ų8935.1 Ų35.148%0.47616%0.162SC..THydrogen-bonded Turntrans60.542.5-179-158.964.6000111.2E191 I192E191-N195 PolarHBondContact O-N 3.05Å; I192-N195 PolarHBondContact O-N 3.2Å
196W64.1Low82.7Confident29 Ų2933.2 Ų33.211%0.1116%0.155CC..  trans-106.7-8.6-166.7-68.3-7.2000114.7L194 L231 I249 C250 A254 I258L194-W196 VanDerWaalsContact C-N 3.31Å; L194-W196 HydrophobicContact CB-CB 4.4Å; L194-W196 HydrophobicContact CB-CD2 3.3Å; L194-W196 HydrophobicContact CB-CE3 3.57Å; L194-W196 HydrophobicContact CB-CG 3.69Å; L194-W196 HydrophobicContact CB-CH2 4.01Å; L194-W196 HydrophobicContact CB-CZ2 3.72Å; L194-W196 HydrophobicContact CB-CZ3 3.91Å; L194-W196 HydrophobicContact CD1-CD2 4.08Å; L194-W196 HydrophobicContact CD1-CE3 3.4Å; L194-W196 HydrophobicContact CD1-CH2 3.41Å; L194-W196 VanDerWaalsContact CD1-CH2 3.41Å; L194-W196 HydrophobicContact CD1-CZ2 4.03Å; L194-W196 HydrophobicContact CD1-CZ3 3.01Å; L194-W196 HydrophobicContact CD2-CH2 3.44Å; L194-W196 VanDerWaalsContact CD2-CH2 3.44Å; L194-W196 HydrophobicContact CD2-CZ2 3.41Å; L194-W196 VanDerWaalsContact CD2-CZ2 3.41Å; L194-W196 HydrophobicContact CD2-CZ3 4.02Å; L194-W196 HydrophobicContact CG-CD2 4.1Å; L194-W196 HydrophobicContact CG-CE3 3.94Å; L194-W196 HydrophobicContact CG-CH2 3.71Å; L194-W196 HydrophobicContact CG-CZ2 3.8Å; L194-W196 HydrophobicContact CG-CZ3 3.73Å; L194-W196 PolarHBondContact O-NE1 3.04Å; W196-L231 HydrophobicContact CH2-CD2 3.94Å; W196-L231 HydrophobicContact CZ3-CD2 4.32Å; W196-I249 HydrophobicContact CB-CB 4.39Å; W196-I249 HydrophobicContact CB-CG2 3.65Å; W196-I249 HydrophobicContact CD2-CG2 3.79Å; W196-I249 HydrophobicContact CE3-CD1 3.99Å; W196-I249 HydrophobicContact CE3-CG1 4.45Å; W196-I249 HydrophobicContact CE3-CG2 3.8Å; W196-I249 HydrophobicContact CG-CG2 3.74Å; W196-I249 HydrophobicContact CZ3-CD1 4.48Å; W196-I249 CarbonylContact O-C 3.49Å; W196-I249 WeakPolarHBondContact O-CA 3.49Å; W196-C250 WeakPolarHBondContact O-CB 3.47Å; W196-C250 PolarHBondContact O-N 2.87Å; W196-A254 HydrophobicContact CD2-CB 3.04Å; W196-A254 HydrophobicContact CE3-CB 3.54Å; W196-A254 HydrophobicContact CG-CB 3.69Å; W196-A254 HydrophobicContact CH2-CB 3.56Å; W196-A254 VanDerWaalsContact CZ2-CA 3.45Å; W196-A254 HydrophobicContact CZ2-CB 3.11Å; W196-A254 HydrophobicContact CZ3-CB 3.76Å; W196-A254 VanDerWaalsContact NE1-CB 3.28Å; W196-I258 HydrophobicContact CE3-CD1 3.98Å; W196-I258 HydrophobicContact CH2-CD1 3.99Å; W196-I258 HydrophobicContact CH2-CG1 4.1Å; W196-I258 HydrophobicContact CZ3-CD1 3.24Å; W196-I258 HydrophobicContact CZ3-CG1 3.85Å
197M58.7Low82.9Confident31 Ų3129.2 Ų29.215%0.15314%0.14CC..SBendtrans-149.7162.3175.2-59.6-167.9-160.200110.9Y199 L245 K248 I249M197-Y199 PolarHBondContact O-N 3.2Å; M197-L245 HydrophobicContact CE-CD1 3.83Å; M197-K248 VanDerWaalsContact CE-C 3.4Å; M197-K248 HydrophobicContact CE-CB 3.23Å; M197-K248 HydrophobicContact CE-CD 4.49Å; M197-K248 HydrophobicContact CE-CG 4.48Å; M197-K248 VanDerWaalsContact CG-O 3.28Å; M197-K248 WeakPolarHBondContact CG-O 3.41Å; M197-K248 HydrophobicContact SD-CB 3.47Å; M197-K248 WeakPolarHBondContact SD-CB 3.21Å; M197-K248 HydrophobicContact SD-CD 4.39Å; M197-I249 HydrophobicContact CE-CB 4.33Å; M197-I249 HydrophobicContact CE-CG1 3.52Å
198H65.5Low83.1Confident173 Ų17328.5 Ų28.580%0.80114%0.137SC*.  trans-56.7122.3153-67.8-69.9000107.6
199Y69.6Low83.5Confident23 Ų2327 Ų279%0.0913%0.132CC..  trans-107.7150.5177.353.3-88000109.3I146 R148 D176 I192 M197 V203I146-Y199 HydrophobicContact CD1-CD2 4.31Å; I146-Y199 HydrophobicContact CD1-CE2 4.32Å; R148-Y199 PolarHBondContact NH1-OH 3.22Å; R148-Y199 PolarHBondContact NH2-OH 3.1Å; D176-Y199 PolarHBondContact O-OH 3.1Å; D176-Y199 VanDerWaalsContact O-OH 3.09Å; I192-Y199 HydrophobicContact CG1-CG 4.5Å; M197-Y199 PolarHBondContact O-N 3.2Å; Y199-V203 HydrophobicContact CD2-CG1 3.85Å; Y199-V203 HydrophobicContact CD2-CG2 4.43Å; Y199-V203 HydrophobicContact CG-CG1 4Å
200N82.8Confident83.8Confident43 Ų4327.1 Ų27.123%0.2313%0.132CC..  trans-104.9-171.9177.66328.2000109.7N202 V203N200-N202 PolarHBondContact O-N 3.22Å; N200-N202 VanDerWaalsContact O-N 3.16Å; N200-N202 WeakPolarHBondContact OD1-CA 3.28Å; N200-N202 WeakPolarHBondContact OD1-CB 3.43Å; N200-N202 PolarHBondContact OD1-N 3.41Å; N200-V203 WeakPolarHBondContact O-CG2 3.27Å; N200-V203 PolarHBondContact O-N 2.83Å
201Q89.4Confident84.2Confident65 Ų6526.8 Ų26.830%0.30413%0.13SC..THydrogen-bonded Turntrans-61.5-17.8178.169.5-164.29.900114.5H141 I146 V203 D204H141-Q201 PolarHBondContact CE1-O 2.97Å; H141-Q201 PolarHBondContact NE2-O 3.21Å; I146-Q201 HydrophobicContact CG1-CB 4.25Å; Q201-V203 PolarHBondContact O-N 3.43Å; Q201-D204 PolarHBondContact O-N 3.19Å; Q201-D204 VanDerWaalsContact O-N 3.1Å
202N93.1Very high84.7Confident14 Ų1426.1 Ų26.18%0.07513%0.127CC..THydrogen-bonded Turntrans-68.5-8-178.8-61.9-15.7000113.2N200 D204 I205 W206 C292 R295N200-N202 PolarHBondContact O-N 3.22Å; N200-N202 VanDerWaalsContact O-N 3.16Å; N200-N202 WeakPolarHBondContact OD1-CA 3.28Å; N200-N202 WeakPolarHBondContact OD1-CB 3.43Å; N200-N202 PolarHBondContact OD1-N 3.41Å; N202-D204 PolarHBondContact O-N 3.21Å; N202-I205 HydrophobicContact CB-CG1 4.49Å; N202-I205 WeakPolarHBondContact O-CB 3.28Å; N202-I205 PolarHBondContact O-N 3.06Å; N202-I205 VanDerWaalsContact O-N 3.07Å; N202-W206 PolarHBondContact O-N 2.93Å; N202-C292 PolarHBondContact ND2-O 3.49Å; N202-R295 HydrophobicContact CB-CB 4.17Å; N202-R295 PolarHBondContact ND2-O 3.3Å; N202-R295 VanDerWaalsContact ND2-O 3.14Å; N202-R295 WeakPolarHBondContact O-CD 3.28Å; N202-R295 PolarHBondContact O-NH1 2.92Å
203V93.1Very high85.5Confident1 Ų125 Ų251%0.00612%0.121CC..Hα-helixtrans-57-33.8167.7-63.70000112.3I146 A189 E191 I192 Y199 N200 Q201 I205 W206 S207I146-V203 HydrophobicContact CG2-CG2 3.39Å; A189-V203 HydrophobicContact CB-CB 3.99Å; A189-V203 HydrophobicContact CB-CG1 4.13Å; E191-V203 HydrophobicContact CG-CG1 3.95Å; E191-V203 WeakPolarHBondContact OE1-CG1 3.36Å; I192-V203 HydrophobicContact CD1-CB 3.54Å; I192-V203 HydrophobicContact CD1-CG1 3.73Å; I192-V203 HydrophobicContact CD1-CG2 3.82Å; I192-V203 HydrophobicContact CG1-CB 4.14Å; I192-V203 HydrophobicContact CG1-CG1 3.76Å; Y199-V203 HydrophobicContact CD2-CG1 3.85Å; Y199-V203 HydrophobicContact CD2-CG2 4.43Å; Y199-V203 HydrophobicContact CG-CG1 4Å; N200-V203 WeakPolarHBondContact O-CG2 3.27Å; N200-V203 PolarHBondContact O-N 2.83Å; Q201-V203 PolarHBondContact O-N 3.43Å; V203-I205 VanDerWaalsContact C-N 3.33Å; V203-W206 WeakPolarHBondContact O-CB 3.42Å; V203-W206 PolarHBondContact O-N 3.38Å; V203-S207 PolarHBondContact O-N 2.85Å; V203-S207 PolarHBondContact O-OG 3.33Å
204D95.4Very high86.6Confident0 Ų024.6 Ų24.60%012%0.119CC..Hα-helixtrans-72.3-30.9177-69-30.6000111L137 H141 I146 H147 R148 L150 Q201 N202 W206 S207 V208L137-D204 HydrophobicContact CD1-CB 3.85Å; L137-D204 HydrophobicContact CD2-CB 3.77Å; L137-D204 HydrophobicContact CG-CB 4.36Å; H141-D204 IonicContact CD2-OD2 2.88Å; H141-D204 IonicContact CE1-OD2 3.32Å; H141-D204 IonicContact NE2-OD2 3.55Å; H141-D204 PolarHBondContact NE2-OD2 3.11Å; I146-D204 VanDerWaalsContact CG2-OD2 3.28Å; I146-D204 WeakPolarHBondContact CG2-OD2 3.41Å; H147-D204 PolarHBondContact N-OD2 3.32Å; R148-D204 PolarHBondContact N-OD1 3.33Å; L150-D204 HydrophobicContact CD1-CB 3.88Å; Q201-D204 PolarHBondContact O-N 3.19Å; Q201-D204 VanDerWaalsContact O-N 3.1Å; N202-D204 PolarHBondContact O-N 3.21Å; D204-W206 VanDerWaalsContact C-N 3.32Å; D204-W206 PolarHBondContact O-N 2.86Å; D204-S207 WeakPolarHBondContact O-CA 3.46Å; D204-S207 VanDerWaalsContact O-CB 3.3Å; D204-S207 WeakPolarHBondContact O-CB 3.29Å; D204-S207 PolarHBondContact O-N 2.88Å; D204-S207 VanDerWaalsContact O-N 3.09Å; D204-V208 WeakPolarHBondContact O-CG2 3.26Å; D204-V208 PolarHBondContact O-N 3.34Å
205I98.2Very high88Confident0 Ų023.7 Ų23.70%011%0.114CC..Hα-helixtrans-65.8-36.4175.9-58.3-66.4000111.3L134 L137 N202 V203 S207 V208 G209 M287 R295 I296 A298L134-I205 HydrophobicContact CD2-CD1 3.97Å; L137-I205 HydrophobicContact CD2-CD1 3.82Å; N202-I205 HydrophobicContact CB-CG1 4.49Å; N202-I205 WeakPolarHBondContact O-CB 3.28Å; N202-I205 PolarHBondContact O-N 3.06Å; N202-I205 VanDerWaalsContact O-N 3.07Å; V203-I205 VanDerWaalsContact C-N 3.33Å; I205-S207 VanDerWaalsContact C-N 3.28Å; I205-S207 PolarHBondContact O-N 2.91Å; I205-V208 PolarHBondContact O-N 3.26Å; I205-G209 PolarHBondContact O-N 3.19Å; I205-M287 HydrophobicContact CG2-CB 3.95Å; I205-M287 HydrophobicContact CG2-CG 3.72Å; I205-R295 HydrophobicContact CB-CG 4.34Å; I205-R295 HydrophobicContact CG2-CG 3.98Å; I205-I296 WeakPolarHBondContact CG1-O 3.27Å; I205-I296 HydrophobicContact CG2-CG2 4.05Å; I205-I296 WeakPolarHBondContact CG2-O 3.38Å; I205-A298 HydrophobicContact CD1-CB 4Å
206W97.4Very high89.3Confident0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-58.8-44.1170.7179.4-83.7000111.3R188 A189 P190 N202 V203 D204 G209 C210 F222 I234 V238 L288 L290R188-W206 PolarHBondContact O-NE1 3.35Å; A189-W206 HydrophobicContact CB-CB 3.74Å; A189-W206 HydrophobicContact CB-CG 3.82Å; P190-W206 HydrophobicContact CG-CH2 4.3Å; P190-W206 HydrophobicContact CG-CZ2 4.41Å; P190-W206 HydrophobicContact CG-CZ3 4.35Å; N202-W206 PolarHBondContact O-N 2.93Å; V203-W206 WeakPolarHBondContact O-CB 3.42Å; V203-W206 PolarHBondContact O-N 3.38Å; D204-W206 VanDerWaalsContact C-N 3.32Å; D204-W206 PolarHBondContact O-N 2.86Å; W206-G209 PolarHBondContact O-N 2.82Å; W206-C210 VanDerWaalsContact CD1-SG 3.58Å; W206-C210 PolarHBondContact NE1-SG 3.21Å; W206-C210 PolarHBondContact O-N 3.17Å; W206-C210 PolarHBondContact O-SG 3.34Å; W206-F222 HydrophobicContact CZ2-CD2 4.4Å; W206-F222 AromaticContact CZ2-CE2 3.8Å; W206-F222 HydrophobicContact CZ2-CE2 3.8Å; W206-F222 HydrophobicContact CZ2-CZ 4.31Å; W206-I234 HydrophobicContact CH2-CG2 3.51Å; W206-I234 HydrophobicContact CZ2-CB 4.43Å; W206-I234 HydrophobicContact CZ2-CD1 3.88Å; W206-I234 HydrophobicContact CZ2-CG1 3.92Å; W206-I234 HydrophobicContact CZ2-CG2 3.66Å; W206-V238 HydrophobicContact CH2-CG1 4.21Å; W206-V238 HydrophobicContact CH2-CG2 4.43Å; W206-L288 HydrophobicContact CD2-CD2 4.21Å; W206-L288 HydrophobicContact CE3-CD2 4.21Å; W206-L288 HydrophobicContact CH2-CD2 4.42Å; W206-L288 HydrophobicContact CZ2-CD2 4.42Å; W206-L288 HydrophobicContact CZ3-CB 4.38Å; W206-L288 HydrophobicContact CZ3-CD2 4.33Å; W206-L290 HydrophobicContact CH2-CD2 4.34Å; W206-L290 HydrophobicContact CZ3-CD2 4.47Å
207S96.9Very high90.6Very high4 Ų423.6 Ų23.63%0.02811%0.112CC..Hα-helixtrans-62.1-42.5176.5-56.30000111.7Y187 V203 D204 I205 G209 C210 I211Y187-S207 VanDerWaalsContact O-CA 3.31Å; Y187-S207 WeakPolarHBondContact O-CA 3.44Å; Y187-S207 WeakPolarHBondContact O-CB 3.38Å; Y187-S207 PolarHBondContact O-OG 3.42Å; V203-S207 PolarHBondContact O-N 2.85Å; V203-S207 PolarHBondContact O-OG 3.33Å; D204-S207 WeakPolarHBondContact O-CA 3.46Å; D204-S207 VanDerWaalsContact O-CB 3.3Å; D204-S207 WeakPolarHBondContact O-CB 3.29Å; D204-S207 PolarHBondContact O-N 2.88Å; D204-S207 VanDerWaalsContact O-N 3.09Å; I205-S207 VanDerWaalsContact C-N 3.28Å; I205-S207 PolarHBondContact O-N 2.91Å; S207-G209 PolarHBondContact O-N 3.08Å; S207-C210 WeakPolarHBondContact O-CB 3.43Å; S207-C210 PolarHBondContact O-N 3.49Å; S207-I211 VanDerWaalsContact O-CG1 3.26Å; S207-I211 WeakPolarHBondContact O-CG1 3.14Å; S207-I211 PolarHBondContact O-N 2.96Å
208V98.4Very high92.1Very high0 Ų024.3 Ų24.30%013%0.127CC..Hα-helixtrans-59.5-44.9173.4177.30000111I130 L133 L134 L137 L150 D204 I205 C210 I211 M212 M287I130-V208 HydrophobicContact CD1-CG1 4.45Å; I130-V208 HydrophobicContact CG2-CG1 4.08Å; L133-V208 HydrophobicContact CD2-CB 4.47Å; L133-V208 HydrophobicContact CD2-CG1 4.15Å; L133-V208 HydrophobicContact CD2-CG2 3.92Å; L133-V208 HydrophobicContact CG-CG2 4.04Å; L134-V208 HydrophobicContact CD2-CG1 4.07Å; L134-V208 HydrophobicContact CG-CG1 4.35Å; L137-V208 HydrophobicContact CD2-CG2 3.87Å; L150-V208 HydrophobicContact CD1-CG2 4.09Å; D204-V208 WeakPolarHBondContact O-CG2 3.26Å; D204-V208 PolarHBondContact O-N 3.34Å; I205-V208 PolarHBondContact O-N 3.26Å; V208-C210 VanDerWaalsContact C-N 3.34Å; V208-C210 PolarHBondContact O-N 2.95Å; V208-I211 PolarHBondContact O-N 2.94Å; V208-M212 WeakPolarHBondContact O-CB 3.35Å; V208-M212 PolarHBondContact O-N 3.32Å; V208-M287 HydrophobicContact CG1-CE 3.9Å; V208-M287 HydrophobicContact CG1-SD 4.01Å
209G98.3Very high93.3Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-60.3-40.5175.500000113I205 W206 S207 G213 L284I205-G209 PolarHBondContact O-N 3.19Å; W206-G209 PolarHBondContact O-N 2.82Å; S207-G209 PolarHBondContact O-N 3.08Å; G209-G213 PolarHBondContact O-N 3.28Å; G209-L284 VanDerWaalsContact O-CD2 3.23Å; G209-L284 WeakPolarHBondContact O-CD2 3.39Å
210C97.9Very high94.5Very high1 Ų122.3 Ų22.31%0.00712%0.119CC..Hα-helixtrans-62.7-44.6173.6-64.70000112.1Y187 W206 S207 V208 G213 E214Y187-C210 HydrophobicContact CD1-CB 3.73Å; Y187-C210 HydrophobicContact CG-CB 4.49Å; W206-C210 VanDerWaalsContact CD1-SG 3.58Å; W206-C210 PolarHBondContact NE1-SG 3.21Å; W206-C210 PolarHBondContact O-N 3.17Å; W206-C210 PolarHBondContact O-SG 3.34Å; S207-C210 WeakPolarHBondContact O-CB 3.43Å; S207-C210 PolarHBondContact O-N 3.49Å; V208-C210 VanDerWaalsContact C-N 3.34Å; V208-C210 PolarHBondContact O-N 2.95Å; C210-G213 PolarHBondContact O-N 3.13Å; C210-E214 WeakPolarHBondContact O-CB 3.5Å; C210-E214 PolarHBondContact O-N 3.42Å
211I97.3Very high95Very high1 Ų120.8 Ų20.81%0.00511%0.111CC..Hα-helixtrans-63.7-50.5178.2-67.1165.9000110L112 I130 L133 P152 V155 Y187 S207 V208 G213 E214 L215L112-I211 HydrophobicContact CD1-CG2 4.13Å; I130-I211 HydrophobicContact CD1-CG2 4.35Å; L133-I211 HydrophobicContact CD2-CD1 4.19Å; P152-I211 HydrophobicContact CG-CG1 4.07Å; V155-I211 HydrophobicContact CG2-CD1 4.41Å; Y187-I211 HydrophobicContact CD1-CG1 3.95Å; Y187-I211 HydrophobicContact CE1-CG1 4.27Å; S207-I211 VanDerWaalsContact O-CG1 3.26Å; S207-I211 WeakPolarHBondContact O-CG1 3.14Å; S207-I211 PolarHBondContact O-N 2.96Å; V208-I211 PolarHBondContact O-N 2.94Å; I211-G213 VanDerWaalsContact C-N 3.33Å; I211-G213 PolarHBondContact O-N 3.29Å; I211-E214 WeakPolarHBondContact O-CB 3.49Å; I211-E214 PolarHBondContact O-N 3.14Å; I211-E214 VanDerWaalsContact O-N 3.1Å; I211-L215 HydrophobicContact CG2-CD1 4.07Å; I211-L215 HydrophobicContact CG2-CG 4.34Å; I211-L215 WeakPolarHBondContact O-CG 3.32Å; I211-L215 PolarHBondContact O-N 2.93Å
212M97.9Very high95.3Very high0 Ų017.8 Ų17.80%010%0.097CC..Hα-helixtrans-57.9-44.7177.7-179.5175.5178.300111.7V126 I130 V208 E214 L215 L216 A280 L283 L284 M287 Y306V126-M212 HydrophobicContact CG1-CG 4.36Å; I130-M212 HydrophobicContact CD1-CB 3.76Å; I130-M212 HydrophobicContact CD1-CG 4.36Å; I130-M212 HydrophobicContact CG1-CB 3.96Å; I130-M212 HydrophobicContact CG1-CG 4Å; I130-M212 HydrophobicContact CG1-SD 4.4Å; I130-M212 HydrophobicContact CG2-SD 4.24Å; V208-M212 WeakPolarHBondContact O-CB 3.35Å; V208-M212 PolarHBondContact O-N 3.32Å; M212-E214 VanDerWaalsContact C-N 3.3Å; M212-E214 PolarHBondContact O-N 2.78Å; M212-L215 PolarHBondContact O-N 3.29Å; M212-L216 HydrophobicContact CE-CD1 4.09Å; M212-L216 HydrophobicContact CG-CD1 4.04Å; M212-L216 WeakPolarHBondContact O-CG 3.17Å; M212-L216 PolarHBondContact O-N 2.89Å; M212-A280 HydrophobicContact CE-CB 3.61Å; M212-A280 WeakPolarHBondContact CE-O 3.24Å; M212-L283 HydrophobicContact CE-CB 4.38Å; M212-L283 HydrophobicContact CE-CD2 4.1Å; M212-L283 HydrophobicContact SD-CD2 3.99Å; M212-L283 HydrophobicContact SD-CG 4.36Å; M212-L284 HydrophobicContact CB-CD2 3.93Å; M212-L284 HydrophobicContact CE-CG 4.29Å; M212-L284 HydrophobicContact CG-CD2 3.91Å; M212-L284 HydrophobicContact CG-CG 4.22Å; M212-L284 HydrophobicContact SD-CD2 4.04Å; M212-L284 HydrophobicContact SD-CG 4.05Å; M212-M287 HydrophobicContact SD-SD 4.36Å; M212-Y306 HydrophobicContact CE-CD1 3.99Å; M212-Y306 HydrophobicContact CE-CE1 3.55Å
213G96.5Very high95.3Very high0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-61.7-38.217600000112.6G209 C210 I211 K217 F273G209-G213 PolarHBondContact O-N 3.28Å; C210-G213 PolarHBondContact O-N 3.13Å; I211-G213 VanDerWaalsContact C-N 3.33Å; I211-G213 PolarHBondContact O-N 3.29Å; G213-K217 WeakPolarHBondContact O-CB 3.18Å; G213-K217 PolarHBondContact O-N 3.31Å; G213-F273 WeakPolarHBondContact O-CE1 3.3Å
214E95.5Very high95.2Very high13 Ų1319.3 Ų19.36%0.06111%0.108CC..Hα-helixtrans-67.4-42.3174.4177.1162.8171.100112.6Y187 C210 I211 M212 L216 K217 G218 K219 V220Y187-E214 WeakPolarHBondContact CE1-OE2 3.24Å; Y187-E214 PolarHBondContact OH-OE2 3.26Å; C210-E214 WeakPolarHBondContact O-CB 3.5Å; C210-E214 PolarHBondContact O-N 3.42Å; I211-E214 WeakPolarHBondContact O-CB 3.49Å; I211-E214 PolarHBondContact O-N 3.14Å; I211-E214 VanDerWaalsContact O-N 3.1Å; M212-E214 VanDerWaalsContact C-N 3.3Å; M212-E214 PolarHBondContact O-N 2.78Å; E214-L216 VanDerWaalsContact C-N 3.33Å; E214-L216 PolarHBondContact O-N 2.62Å; E214-K217 PolarHBondContact O-N 2.86Å; E214-G218 VanDerWaalsContact O-CA 3.3Å; E214-G218 WeakPolarHBondContact O-CA 3.02Å; E214-G218 PolarHBondContact O-N 3.41Å; E214-K219 PolarHBondContact O-N 3.34Å; E214-V220 WeakPolarHBondContact OE2-CA 3.48Å
215L94.8Very high94.9Very high11 Ų1124.5 Ų24.56%0.05814%0.14CC..Hα-helixtrans-60.4-42.4176.6-64.9171.1000111.5V116 L121 V126 I130 I211 M212V116-L215 HydrophobicContact CG1-CD2 3.26Å; V116-L215 HydrophobicContact CG1-CG 4.43Å; L121-L215 HydrophobicContact CD1-CD2 3.56Å; V126-L215 HydrophobicContact CG1-CB 4.22Å; V126-L215 HydrophobicContact CG1-CD1 4.38Å; V126-L215 HydrophobicContact CG2-CB 3.93Å; I130-L215 HydrophobicContact CD1-CD1 3.8Å; I130-L215 HydrophobicContact CG1-CD1 4.21Å; I211-L215 HydrophobicContact CG2-CD1 4.07Å; I211-L215 HydrophobicContact CG2-CG 4.34Å; I211-L215 WeakPolarHBondContact O-CG 3.32Å; I211-L215 PolarHBondContact O-N 2.93Å; M212-L215 PolarHBondContact O-N 3.29Å
216L94.6Very high94.3Very high44 Ų4428.1 Ų28.123%0.2316%0.159CC..Hα-helixtrans-71.9-37.1178.9-68168.2000112.8V126 M212 E214 F273 A276 A280 L284V126-L216 HydrophobicContact CB-CD2 4.37Å; V126-L216 HydrophobicContact CG1-CD2 4.01Å; V126-L216 HydrophobicContact CG1-CG 4.15Å; V126-L216 HydrophobicContact CG2-CD2 4.24Å; M212-L216 HydrophobicContact CE-CD1 4.09Å; M212-L216 HydrophobicContact CG-CD1 4.04Å; M212-L216 WeakPolarHBondContact O-CG 3.17Å; M212-L216 PolarHBondContact O-N 2.89Å; E214-L216 VanDerWaalsContact C-N 3.33Å; E214-L216 PolarHBondContact O-N 2.62Å; L216-F273 HydrophobicContact CB-CD1 4.17Å; L216-A276 HydrophobicContact CD2-CB 4.47Å; L216-A280 HydrophobicContact CD1-CB 4.12Å; L216-L284 HydrophobicContact CD1-CD1 3.73Å
217K91.6Very high93.5Very high72 Ų7232 Ų3231%0.31317%0.174SC..Hα-helixtrans-91.8-19.1-174-159.5-177.4-167.4177.70113.4G213 E214 K219 L221 F273G213-K217 WeakPolarHBondContact O-CB 3.18Å; G213-K217 PolarHBondContact O-N 3.31Å; E214-K217 PolarHBondContact O-N 2.86Å; K217-K219 HydrophobicContact CB-CG 4.47Å; K217-K219 HydrophobicContact CD-CD 4.49Å; K217-K219 HydrophobicContact CD-CG 3.86Å; K217-K219 HydrophobicContact CG-CG 3.93Å; K217-K219 PolarHBondContact O-N 3.06Å; K217-L221 HydrophobicContact CD-CD1 4.49Å; K217-F273 HydrophobicContact CB-CD1 4.41Å; K217-F273 HydrophobicContact CB-CE1 4.19Å
218G90.6Very high93Very high45 Ų4535.2 Ų35.246%0.46419%0.19SC..THydrogen-bonded Turntrans69.216.2-17200000114.4E214E214-G218 VanDerWaalsContact O-CA 3.3Å; E214-G218 WeakPolarHBondContact O-CA 3.02Å; E214-G218 PolarHBondContact O-N 3.41Å
219K90.9Very high92.6Very high126 Ų12637.2 Ų37.255%0.54820%0.201SC..SBendtrans-155.4149.8176.965.1-177.9179.2-178.60111.2E214 K217 L221E214-K219 PolarHBondContact O-N 3.34Å; K217-K219 HydrophobicContact CB-CG 4.47Å; K217-K219 HydrophobicContact CD-CD 4.49Å; K217-K219 HydrophobicContact CD-CG 3.86Å; K217-K219 HydrophobicContact CG-CG 3.93Å; K217-K219 PolarHBondContact O-N 3.06Å; K219-L221 PolarHBondContact O-N 3.43Å
220V93.6Very high92.2Very high29 Ų2937.2 Ų37.218%0.17620%0.201CC..  trans-45.6129.9176.1-177.90000111.3W186 E214 P223W186-V220 HydrophobicContact CB-CG1 3.8Å; W186-V220 HydrophobicContact CD2-CG1 3.82Å; W186-V220 HydrophobicContact CE3-CB 4.28Å; W186-V220 HydrophobicContact CE3-CG1 3.66Å; W186-V220 HydrophobicContact CE3-CG2 3.68Å; W186-V220 HydrophobicContact CG-CG1 3.92Å; W186-V220 HydrophobicContact CZ3-CG1 4.44Å; W186-V220 HydrophobicContact CZ3-CG2 3.75Å; E214-V220 WeakPolarHBondContact OE2-CA 3.48Å; V220-P223 HydrophobicContact CB-CB 4.28Å; V220-P223 HydrophobicContact CG1-CB 4.02Å
221L94.2Very high91.8Very high11 Ų1137.5 Ų37.56%0.05820%0.202CC..SBendtrans-71.2-45.6-175.9-170.858.1000112.1K217 K219 P223 F273 L288K217-L221 HydrophobicContact CD-CD1 4.49Å; K219-L221 PolarHBondContact O-N 3.43Å; L221-P223 WeakPolarHBondContact O-CD 3.14Å; L221-F273 HydrophobicContact CD1-CE1 4.38Å; L221-F273 HydrophobicContact CD1-CZ 3.8Å; L221-F273 HydrophobicContact CD2-CZ 4.46Å; L221-L288 HydrophobicContact CD2-CD1 3.61Å
222F95.4Very high91.5Very high2 Ų241 Ų411%0.00922%0.218CC..  trans-126.479.8-178.2-51-62.8000111.4W186 W206 G224 Q230 I234 V237 L288W186-F222 WeakPolarHBondContact CB-O 3.36Å; W186-F222 VanDerWaalsContact CD1-O 3.23Å; W206-F222 HydrophobicContact CZ2-CD2 4.4Å; W206-F222 AromaticContact CZ2-CE2 3.8Å; W206-F222 HydrophobicContact CZ2-CE2 3.8Å; W206-F222 HydrophobicContact CZ2-CZ 4.31Å; F222-G224 PolarHBondContact O-N 3.36Å; F222-G224 VanDerWaalsContact O-N 3.1Å; F222-Q230 PolarHBondContact O-NE2 3.02Å; F222-Q230 PolarHBondContact O-OE1 3.24Å; F222-I234 HydrophobicContact CB-CG1 4.28Å; F222-I234 HydrophobicContact CD1-CG1 3.97Å; F222-I234 HydrophobicContact CD2-CG1 4.07Å; F222-I234 HydrophobicContact CE1-CG1 4.29Å; F222-I234 HydrophobicContact CE2-CG1 4.38Å; F222-I234 HydrophobicContact CG-CG1 3.85Å; F222-I234 HydrophobicContact CZ-CG1 4.49Å; F222-V237 HydrophobicContact CE1-CB 3.88Å; F222-V237 HydrophobicContact CE1-CG1 4.29Å; F222-V237 HydrophobicContact CE1-CG2 3.84Å; F222-V237 HydrophobicContact CZ-CB 4.49Å; F222-L288 HydrophobicContact CE2-CD2 4.26Å
223P93.5Very high91.3Very high45 Ų4545 Ų4529%0.29223%0.233SC..  trans-86.768.8-177.634.5-35.7000112V220 L221 R233V220-P223 HydrophobicContact CB-CB 4.28Å; V220-P223 HydrophobicContact CG1-CB 4.02Å; L221-P223 WeakPolarHBondContact O-CD 3.14Å; P223-R233 PolarHBondContact O-NE 3.44Å
224G90.8Very high91.3Very high2 Ų245 Ų452%0.02123%0.233CC..  trans-77.4137.5179.600000114R185 W186 F222 D229R185-G224 PolarHBondContact NH1-O 2.88Å; W186-G224 PolarHBondContact NE1-O 3.04Å; W186-G224 VanDerWaalsContact NE1-O 3.13Å; F222-G224 PolarHBondContact O-N 3.36Å; F222-G224 VanDerWaalsContact O-N 3.1Å; G224-D229 VanDerWaalsContact CA-OD2 3.27Å; G224-D229 WeakPolarHBondContact CA-OD2 3.42Å
225T88.1Confident91.2Very high109 Ų10944.4 Ų44.467%0.66923%0.23SC*.SBendtrans-75.6-34.7179.554.50000112.6R185 D229R185-T225 VanDerWaalsContact NH1-C 3.34Å; R185-T225 PolarHBondContact NH1-O 2.84Å; T225-D229 PolarHBondContact N-OD2 3.37Å; T225-D229 PolarHBondContact OG1-OD2 3.21Å
226D85.6Confident91.1Very high75 Ų7548.3 Ų48.340%0.40125%0.248SC..SBendtrans-140.3-177.117563.150.1000111.2I228 D229 Q230D226-I228 VanDerWaalsContact C-N 3.29Å; D226-I228 PolarHBondContact O-N 3.41Å; D226-I228 WeakPolarHBondContact OD1-CA 3.36Å; D226-I228 WeakPolarHBondContact OD1-CB 3.45Å; D226-I228 PolarHBondContact OD1-N 3.09Å; D226-D229 PolarHBondContact OD1-N 3.27Å; D226-Q230 WeakPolarHBondContact O-CB 3.28Å; D226-Q230 PolarHBondContact O-N 3.44Å
227Y82.1Confident91.1Very high83 Ų8347 Ų4733%0.32524%0.241SC..Hα-helixtrans-64.2-33.9-178.4-71.3-69.7000113.3M193 L231M193-Y227 HydrophobicContact CB-CD1 4.22Å; M193-Y227 HydrophobicContact CE-CD1 4.05Å; M193-Y227 HydrophobicContact CG-CD1 4.42Å; Y227-L231 WeakPolarHBondContact O-CB 3.48Å; Y227-L231 PolarHBondContact O-N 2.86Å; Y227-L231 VanDerWaalsContact O-N 3.12Å
228I85.1Confident91.3Very high71 Ų7144.2 Ų44.236%0.36423%0.231SC..Hα-helixtrans-75.3-47.6-178-65.6-59.1000110.1D226 Q230 L231 K232 Y257D226-I228 VanDerWaalsContact C-N 3.29Å; D226-I228 PolarHBondContact O-N 3.41Å; D226-I228 WeakPolarHBondContact OD1-CA 3.36Å; D226-I228 WeakPolarHBondContact OD1-CB 3.45Å; D226-I228 PolarHBondContact OD1-N 3.09Å; I228-Q230 VanDerWaalsContact C-N 3.33Å; I228-Q230 PolarHBondContact O-N 3.22Å; I228-L231 PolarHBondContact O-N 2.62Å; I228-K232 HydrophobicContact CG2-CD 4.49Å; I228-K232 WeakPolarHBondContact O-CG 3.15Å; I228-K232 PolarHBondContact O-N 3.05Å; I228-Y257 HydrophobicContact CD1-CD1 4.4Å; I228-Y257 HydrophobicContact CD1-CE1 3.9Å; I228-Y257 HydrophobicContact CD1-CE2 4.17Å; I228-Y257 WeakPolarHBondContact CG2-OH 3.39Å
229D89.4Confident91.4Very high42 Ų4242.3 Ų42.323%0.22521%0.211CC..Hα-helixtrans-61-42.8174.9-17452.6000111.3G224 T225 D226 L231 K232 R233G224-D229 VanDerWaalsContact CA-OD2 3.27Å; G224-D229 WeakPolarHBondContact CA-OD2 3.42Å; T225-D229 PolarHBondContact N-OD2 3.37Å; T225-D229 PolarHBondContact OG1-OD2 3.21Å; D226-D229 PolarHBondContact OD1-N 3.27Å; D229-L231 PolarHBondContact O-N 3.12Å; D229-K232 PolarHBondContact O-N 2.89Å; D229-R233 WeakPolarHBondContact O-CB 3.46Å; D229-R233 VanDerWaalsContact O-CG 3.29Å; D229-R233 WeakPolarHBondContact O-CG 3.15Å; D229-R233 PolarHBondContact O-N 2.81Å; D229-R233 IonicContact OD1-NE 3.93Å; D229-R233 IonicContact OD2-NE 2.93Å; D229-R233 PolarHBondContact OD2-NE 3.1Å
230Q91.4Very high91.5Very high0 Ų037.5 Ų37.50%019%0.192CC..Hα-helixtrans-58.2-46.5176-176.970.725.100111.8R185 W186 M193 F222 D226 I228 R233 I234R185-Q230 HydrophobicContact CG-CB 4.34Å; R185-Q230 HydrophobicContact CG-CG 4.11Å; W186-Q230 PolarHBondContact O-NE2 3.06Å; M193-Q230 HydrophobicContact CE-CB 3.46Å; M193-Q230 VanDerWaalsContact CE-CB 3.46Å; M193-Q230 HydrophobicContact CE-CG 3.21Å; M193-Q230 HydrophobicContact SD-CB 4.43Å; M193-Q230 HydrophobicContact SD-CG 3.52Å; M193-Q230 VanDerWaalsContact SD-CG 3.52Å; F222-Q230 PolarHBondContact O-NE2 3.02Å; F222-Q230 PolarHBondContact O-OE1 3.24Å; D226-Q230 WeakPolarHBondContact O-CB 3.28Å; D226-Q230 PolarHBondContact O-N 3.44Å; I228-Q230 VanDerWaalsContact C-N 3.33Å; I228-Q230 PolarHBondContact O-N 3.22Å; Q230-R233 PolarHBondContact O-N 2.88Å; Q230-I234 HydrophobicContact CG-CD1 4.25Å; Q230-I234 VanDerWaalsContact O-CG1 3.31Å; Q230-I234 WeakPolarHBondContact O-CG1 3.07Å; Q230-I234 PolarHBondContact O-N 2.86Å; Q230-I234 VanDerWaalsContact O-N 3.09Å
231L89.8Confident91.4Very high6 Ų637 Ų373%0.03119%0.19CC..Hα-helixtrans-64-43.4179-177.760.3000111.8P190 L194 W196 Y227 I228 D229 R233 I234 M235 Y257P190-L231 HydrophobicContact CB-CD1 4.38Å; L194-L231 HydrophobicContact CD1-CD1 3.63Å; L194-L231 HydrophobicContact CD1-CD2 3.92Å; L194-L231 HydrophobicContact CD1-CG 4.36Å; L194-L231 HydrophobicContact CD2-CD2 4.03Å; W196-L231 HydrophobicContact CH2-CD2 3.94Å; W196-L231 HydrophobicContact CZ3-CD2 4.32Å; Y227-L231 WeakPolarHBondContact O-CB 3.48Å; Y227-L231 PolarHBondContact O-N 2.86Å; Y227-L231 VanDerWaalsContact O-N 3.12Å; I228-L231 PolarHBondContact O-N 2.62Å; D229-L231 PolarHBondContact O-N 3.12Å; L231-R233 PolarHBondContact O-N 2.84Å; L231-I234 WeakPolarHBondContact O-CB 3.48Å; L231-I234 PolarHBondContact O-N 3.12Å; L231-M235 HydrophobicContact CD1-CE 4.38Å; L231-M235 HydrophobicContact CD2-CE 4.31Å; L231-M235 HydrophobicContact CG-CE 3.73Å; L231-M235 HydrophobicContact CG-SD 4.44Å; L231-M235 PolarHBondContact O-N 3.49Å; L231-Y257 HydrophobicContact CD2-CD1 4.25Å; L231-Y257 HydrophobicContact CD2-CE1 4.03Å
232K90.8Very high91.2Very high76 Ų7640.4 Ų40.433%0.3321%0.211SC..Hα-helixtrans-58.4-48.7175.9-72.9176.7-178.4179.60111.6I228 D229 I234 M235 E236 Y257I228-K232 HydrophobicContact CG2-CD 4.49Å; I228-K232 WeakPolarHBondContact O-CG 3.15Å; I228-K232 PolarHBondContact O-N 3.05Å; D229-K232 PolarHBondContact O-N 2.89Å; K232-I234 PolarHBondContact O-N 3.43Å; K232-M235 PolarHBondContact O-N 3.21Å; K232-M235 VanDerWaalsContact O-N 3.15Å; K232-E236 WeakPolarHBondContact O-CG 3.24Å; K232-E236 PolarHBondContact O-N 3.13Å; K232-Y257 VanDerWaalsContact CE-OH 3.24Å; K232-Y257 WeakPolarHBondContact CE-OH 3.37Å
233R94Very high90.9Very high83 Ų8344.8 Ų44.831%0.31324%0.239SC..Hα-helixtrans-59-35.6177.9-73.8175.3163.5-75.1-0.2113.4P223 D229 Q230 L231P223-R233 PolarHBondContact O-NE 3.44Å; D229-R233 WeakPolarHBondContact O-CB 3.46Å; D229-R233 VanDerWaalsContact O-CG 3.29Å; D229-R233 WeakPolarHBondContact O-CG 3.15Å; D229-R233 PolarHBondContact O-N 2.81Å; D229-R233 IonicContact OD1-NE 3.93Å; D229-R233 IonicContact OD2-NE 2.93Å; D229-R233 PolarHBondContact OD2-NE 3.1Å; Q230-R233 PolarHBondContact O-N 2.88Å; L231-R233 PolarHBondContact O-N 2.84Å
234I95.1Very high90.7Very high0 Ų047.5 Ų47.50%025%0.252CS..Hα-helixtrans-64.1-56.6173.8-71.3168.5000109.2P190 M193 W206 F222 Q230 L231 K232 E236 V237 V238 L290P190-I234 HydrophobicContact CB-CD1 4.46Å; M193-I234 HydrophobicContact SD-CD1 4.37Å; W206-I234 HydrophobicContact CH2-CG2 3.51Å; W206-I234 HydrophobicContact CZ2-CB 4.43Å; W206-I234 HydrophobicContact CZ2-CD1 3.88Å; W206-I234 HydrophobicContact CZ2-CG1 3.92Å; W206-I234 HydrophobicContact CZ2-CG2 3.66Å; F222-I234 HydrophobicContact CB-CG1 4.28Å; F222-I234 HydrophobicContact CD1-CG1 3.97Å; F222-I234 HydrophobicContact CD2-CG1 4.07Å; F222-I234 HydrophobicContact CE1-CG1 4.29Å; F222-I234 HydrophobicContact CE2-CG1 4.38Å; F222-I234 HydrophobicContact CG-CG1 3.85Å; F222-I234 HydrophobicContact CZ-CG1 4.49Å; Q230-I234 HydrophobicContact CG-CD1 4.25Å; Q230-I234 VanDerWaalsContact O-CG1 3.31Å; Q230-I234 WeakPolarHBondContact O-CG1 3.07Å; Q230-I234 PolarHBondContact O-N 2.86Å; Q230-I234 VanDerWaalsContact O-N 3.09Å; L231-I234 WeakPolarHBondContact O-CB 3.48Å; L231-I234 PolarHBondContact O-N 3.12Å; K232-I234 PolarHBondContact O-N 3.43Å; I234-E236 VanDerWaalsContact C-N 3.25Å; I234-E236 PolarHBondContact O-N 3.32Å; I234-V237 PolarHBondContact O-N 2.98Å; I234-V238 HydrophobicContact CG2-CG2 3.7Å; I234-V238 WeakPolarHBondContact O-CG2 3.42Å; I234-V238 PolarHBondContact O-N 3.36Å; I234-L290 HydrophobicContact CG2-CD2 3.92Å
235M93.6Very high90.6Very high0 Ų048 Ų480%025%0.254CS..Hα-helixtrans-63.6-27.7-177.4-68.7-179-61.800113.6L231 K232 V237 G239 T240 I258 L261 M264L231-M235 HydrophobicContact CD1-CE 4.38Å; L231-M235 HydrophobicContact CD2-CE 4.31Å; L231-M235 HydrophobicContact CG-CE 3.73Å; L231-M235 HydrophobicContact CG-SD 4.44Å; L231-M235 PolarHBondContact O-N 3.49Å; K232-M235 PolarHBondContact O-N 3.21Å; K232-M235 VanDerWaalsContact O-N 3.15Å; M235-V237 PolarHBondContact O-N 3.36Å; M235-G239 WeakPolarHBondContact CA-O 3.37Å; M235-G239 CarbonylContact O-C 3.56Å; M235-G239 WeakPolarHBondContact O-CA 3.27Å; M235-G239 PolarHBondContact O-N 2.81Å; M235-T240 HydrophobicContact SD-CG2 4.16Å; M235-I258 HydrophobicContact SD-CG2 4.39Å; M235-L261 HydrophobicContact CE-CD1 3.21Å; M235-L261 HydrophobicContact SD-CD1 4.32Å; M235-M264 HydrophobicContact CB-SD 3.95Å
236E93.8Very high90.5Very high94 Ų9444 Ų4444%0.43923%0.228SC..Hα-helixtrans-59.7-27.3171.6-78.9173.6177.500112.6K232 I234 M264 Q267K232-E236 WeakPolarHBondContact O-CG 3.24Å; K232-E236 PolarHBondContact O-N 3.13Å; I234-E236 VanDerWaalsContact C-N 3.25Å; I234-E236 PolarHBondContact O-N 3.32Å; E236-M264 HydrophobicContact CG-SD 3.99Å; E236-Q267 WeakPolarHBondContact O-CG 3.45Å; E236-Q267 PolarHBondContact O-NE2 3.4Å
237V94.3Very high90.6Very high15 Ų1547.5 Ų47.59%0.09124%0.239CC..Hα-helixtrans-99.2-51.7-179.6174.40000111.3F222 I234 M235 Q267 M269 I272F222-V237 HydrophobicContact CE1-CB 3.88Å; F222-V237 HydrophobicContact CE1-CG1 4.29Å; F222-V237 HydrophobicContact CE1-CG2 3.84Å; F222-V237 HydrophobicContact CZ-CB 4.49Å; I234-V237 PolarHBondContact O-N 2.98Å; M235-V237 PolarHBondContact O-N 3.36Å; V237-Q267 PolarHBondContact O-N 2.96Å; V237-M269 HydrophobicContact CG1-CE 3.5Å; V237-M269 VanDerWaalsContact CG1-CE 3.5Å; V237-M269 HydrophobicContact CG1-SD 3.9Å; V237-I272 HydrophobicContact CG1-CD1 3.76Å; V237-I272 HydrophobicContact CG2-CD1 4.33Å
238V94.6Very high90.7Very high15 Ų1547.3 Ų47.39%0.09124%0.24CC..Hα-helixtrans-91.4-6.4-172.9-540000113.6W206 I234 M269 L288 L290W206-V238 HydrophobicContact CH2-CG1 4.21Å; W206-V238 HydrophobicContact CH2-CG2 4.43Å; I234-V238 HydrophobicContact CG2-CG2 3.7Å; I234-V238 WeakPolarHBondContact O-CG2 3.42Å; I234-V238 PolarHBondContact O-N 3.36Å; V238-M269 HydrophobicContact CG1-CE 4.25Å; V238-L288 HydrophobicContact CG1-CB 4.17Å; V238-L288 WeakPolarHBondContact CG1-O 3.37Å; V238-L290 HydrophobicContact CB-CG 4.43Å; V238-L290 HydrophobicContact CG2-CD1 3.87Å; V238-L290 HydrophobicContact CG2-CD2 3.5Å; V238-L290 HydrophobicContact CG2-CG 3.48Å; V238-L290 VanDerWaalsContact CG2-CG 3.48Å
239G93.9Very high90.6Very high4 Ų444.3 Ų44.34%0.04123%0.225CC..  trans88.8167.4-175.900000113.4M235 M264 L290M235-G239 WeakPolarHBondContact CA-O 3.37Å; M235-G239 CarbonylContact O-C 3.56Å; M235-G239 WeakPolarHBondContact O-CA 3.27Å; M235-G239 PolarHBondContact O-N 2.81Å; G239-M264 CarbonylContact C-O 3.51Å; G239-M264 WeakPolarHBondContact CA-O 3.45Å; G239-L290 WeakPolarHBondContact O-CD1 3.4Å
240T92.2Very high90.1Very high25 Ų2547 Ų4715%0.15325%0.246CC..SBendtrans-74.2146.7172.743.30000111.7M235 F263 M264M235-T240 HydrophobicContact SD-CG2 4.16Å; T240-F263 WeakPolarHBondContact OG1-CD2 3.4Å; T240-M264 HydrophobicContact CG2-CB 4.02Å; T240-M264 HydrophobicContact CG2-CG 4.06Å; T240-M264 PolarHBondContact N-O 3.22Å; T240-M264 PolarHBondContact OG1-N 3.44Å; T240-M264 PolarHBondContact OG1-O 2.73Å
241P91.1Very high89.6Confident20 Ų2048.7 Ų48.713%0.1326%0.258CS..PPolyproline II helixtrans-51141.4176.3-29.435.4000113.9L245 L246 I258 L290P241-L245 HydrophobicContact CB-CB 4.35Å; P241-L245 HydrophobicContact CB-CD2 3.93Å; P241-L245 HydrophobicContact CB-CG 4.22Å; P241-L246 HydrophobicContact CB-CD2 3.9Å; P241-L246 HydrophobicContact CB-CG 4Å; P241-L246 HydrophobicContact CG-CD2 4.39Å; P241-I258 HydrophobicContact CG-CD1 4.24Å; P241-I258 HydrophobicContact CG-CG2 3.95Å; P241-L290 HydrophobicContact CG-CD1 4.02Å
242T90.4Very high89.3Confident81 Ų8154.7 Ų54.750%0.49729%0.286SS..PPolyproline II helixtrans-68158.8171.763.10000110.8D244 L245 L246T242-D244 PolarHBondContact O-N 3.41Å; T242-L245 PolarHBondContact O-N 3.31Å; T242-L245 VanDerWaalsContact O-N 3.16Å; T242-L245 WeakPolarHBondContact OG1-CB 3.33Å; T242-L245 PolarHBondContact OG1-N 3.3Å; T242-L246 WeakPolarHBondContact O-CG 3.25Å; T242-L246 PolarHBondContact O-N 2.99Å
243P89.1Confident88.9Confident94 Ų9458.4 Ų58.461%0.6130%0.304SS*.Hα-helixtrans-55.6-33.1174.9-27.536000113.9K247P243-K247 WeakPolarHBondContact O-CG 3.35Å; P243-K247 PolarHBondContact O-N 3.47Å
244D89.1Confident88.3Confident103 Ų10354.4 Ų54.455%0.55129%0.289SS*.Hα-helixtrans-74.5-39.5178.1-65.7-35.4000111.9T242 L246 K247 K248T242-D244 PolarHBondContact O-N 3.41Å; D244-L246 VanDerWaalsContact C-N 3.31Å; D244-L246 PolarHBondContact O-N 3.15Å; D244-K247 PolarHBondContact O-N 3.47Å; D244-K247 IonicContact OD1-NZ 2.73Å; D244-K247 PolarHBondContact OD1-NZ 2.97Å; D244-K248 PolarHBondContact O-N 3.06Å
245L88.2Confident87.8Confident13 Ų1356.9 Ų56.97%0.06830%0.301CS..Hα-helixtrans-63.3-38.8171.7-177.759.6000111.5M197 P241 T242 K247 K248 L290 D291M197-L245 HydrophobicContact CE-CD1 3.83Å; P241-L245 HydrophobicContact CB-CB 4.35Å; P241-L245 HydrophobicContact CB-CD2 3.93Å; P241-L245 HydrophobicContact CB-CG 4.22Å; T242-L245 PolarHBondContact O-N 3.31Å; T242-L245 VanDerWaalsContact O-N 3.16Å; T242-L245 WeakPolarHBondContact OG1-CB 3.33Å; T242-L245 PolarHBondContact OG1-N 3.3Å; L245-K247 VanDerWaalsContact C-N 3.27Å; L245-K247 PolarHBondContact O-N 2.98Å; L245-K248 HydrophobicContact CD1-CD 4.38Å; L245-K248 PolarHBondContact O-N 3.03Å; L245-K248 VanDerWaalsContact O-N 3.17Å; L245-L290 HydrophobicContact CD2-CB 3.54Å; L245-L290 HydrophobicContact CD2-CD1 4.41Å; L245-D291 HydrophobicContact CD1-CB 3.83Å; L245-D291 HydrophobicContact CD2-CB 4.39Å
246L87.7Confident87.5Confident23 Ų2363 Ų6312%0.1233%0.327CS..Hα-helixtrans-60.1-34.9175.4-74.3176.2000112.7P241 T242 D244 K248 I249 Q255 I258 Q259P241-L246 HydrophobicContact CB-CD2 3.9Å; P241-L246 HydrophobicContact CB-CG 4Å; P241-L246 HydrophobicContact CG-CD2 4.39Å; T242-L246 WeakPolarHBondContact O-CG 3.25Å; T242-L246 PolarHBondContact O-N 2.99Å; D244-L246 VanDerWaalsContact C-N 3.31Å; D244-L246 PolarHBondContact O-N 3.15Å; L246-K248 VanDerWaalsContact C-N 3.31Å; L246-K248 PolarHBondContact O-N 2.89Å; L246-I249 HydrophobicContact CD2-CD1 3.83Å; L246-I249 WeakPolarHBondContact O-CB 3.49Å; L246-I249 PolarHBondContact O-N 3.23Å; L246-Q255 PolarHBondContact O-NE2 3.11Å; L246-I258 HydrophobicContact CD2-CB 4.03Å; L246-I258 HydrophobicContact CD2-CD1 3.9Å; L246-I258 HydrophobicContact CD2-CG2 3.78Å; L246-Q259 HydrophobicContact CD1-CG 4.09Å
247K86.8Confident87.2Confident149 Ų14960.8 Ų60.865%0.64832%0.315SS*.Hα-helixtrans-68.5-30.3177.7-69.4167.7-166.1158.90112.7P243 D244 L245 I249P243-K247 WeakPolarHBondContact O-CG 3.35Å; P243-K247 PolarHBondContact O-N 3.47Å; D244-K247 PolarHBondContact O-N 3.47Å; D244-K247 IonicContact OD1-NZ 2.73Å; D244-K247 PolarHBondContact OD1-NZ 2.97Å; L245-K247 VanDerWaalsContact C-N 3.27Å; L245-K247 PolarHBondContact O-N 2.98Å; K247-I249 PolarHBondContact O-N 3.4Å
248K85.4Confident86.8Confident79 Ų7960.6 Ų60.634%0.34331%0.313SS..Hα-helixtrans-69.1-20.9177.4-65.2-176.8178.6-174.60111.8M197 D244 L245 L246 C250 D291 D293M197-K248 VanDerWaalsContact CE-C 3.4Å; M197-K248 HydrophobicContact CE-CB 3.23Å; M197-K248 HydrophobicContact CE-CD 4.49Å; M197-K248 HydrophobicContact CE-CG 4.48Å; M197-K248 VanDerWaalsContact CG-O 3.28Å; M197-K248 WeakPolarHBondContact CG-O 3.41Å; M197-K248 HydrophobicContact SD-CB 3.47Å; M197-K248 WeakPolarHBondContact SD-CB 3.21Å; M197-K248 HydrophobicContact SD-CD 4.39Å; D244-K248 PolarHBondContact O-N 3.06Å; L245-K248 HydrophobicContact CD1-CD 4.38Å; L245-K248 PolarHBondContact O-N 3.03Å; L245-K248 VanDerWaalsContact O-N 3.17Å; L246-K248 VanDerWaalsContact C-N 3.31Å; L246-K248 PolarHBondContact O-N 2.89Å; K248-C250 PolarHBondContact O-N 3.09Å; K248-D291 WeakPolarHBondContact CE-OD2 3.42Å; K248-D291 VanDerWaalsContact NZ-CG 3.29Å; K248-D291 IonicContact NZ-OD1 3.47Å; K248-D291 PolarHBondContact NZ-OD1 2.69Å; K248-D291 IonicContact NZ-OD2 3.44Å; K248-D291 PolarHBondContact NZ-OD2 3.33Å; K248-D293 IonicContact NZ-OD2 3.65Å; K248-D293 PolarHBondContact NZ-OD2 3.19Å
249I82.4Confident86.5Confident8 Ų865.6 Ų65.64%0.04134%0.336CS..  trans-72.7109.4-176.1-63.9177.7000108.8W196 M197 L246 K247 S251 A254 Q255 I258W196-I249 HydrophobicContact CB-CB 4.39Å; W196-I249 HydrophobicContact CB-CG2 3.65Å; W196-I249 HydrophobicContact CD2-CG2 3.79Å; W196-I249 HydrophobicContact CE3-CD1 3.99Å; W196-I249 HydrophobicContact CE3-CG1 4.45Å; W196-I249 HydrophobicContact CE3-CG2 3.8Å; W196-I249 HydrophobicContact CG-CG2 3.74Å; W196-I249 HydrophobicContact CZ3-CD1 4.48Å; W196-I249 CarbonylContact O-C 3.49Å; W196-I249 WeakPolarHBondContact O-CA 3.49Å; M197-I249 HydrophobicContact CE-CB 4.33Å; M197-I249 HydrophobicContact CE-CG1 3.52Å; L246-I249 HydrophobicContact CD2-CD1 3.83Å; L246-I249 WeakPolarHBondContact O-CB 3.49Å; L246-I249 PolarHBondContact O-N 3.23Å; K247-I249 PolarHBondContact O-N 3.4Å; I249-S251 VanDerWaalsContact C-N 3.3Å; I249-S251 PolarHBondContact O-N 3.16Å; I249-A254 HydrophobicContact CG2-CB 3.6Å; I249-Q255 HydrophobicContact CB-CG 3.92Å; I249-Q255 HydrophobicContact CG2-CG 3.72Å; I249-Q255 PolarHBondContact O-NE2 2.64Å; I249-I258 HydrophobicContact CD1-CD1 3.51Å
250C79.1Confident86.4Confident98 Ų9869.5 Ų69.566%0.66236%0.363SS*.  trans-68.1-24.1-178-54.50000114.1W196 K248W196-C250 WeakPolarHBondContact O-CB 3.47Å; W196-C250 PolarHBondContact O-N 2.87Å; K248-C250 PolarHBondContact O-N 3.09Å
251S80.6Confident86.2Confident37 Ų3769.7 Ų69.726%0.25936%0.362SS..  trans-83.7118.4-179178.70000111.7I249 H253 A254 Q255I249-S251 VanDerWaalsContact C-N 3.3Å; I249-S251 PolarHBondContact O-N 3.16Å; S251-H253 VanDerWaalsContact C-N 3.33Å; S251-H253 PolarHBondContact O-N 3.25Å; S251-A254 WeakPolarHBondContact O-CB 3.45Å; S251-A254 PolarHBondContact O-N 3.34Å; S251-Q255 WeakPolarHBondContact O-CG 3.1Å; S251-Q255 PolarHBondContact O-N 2.67Å
252E83.3Confident86.2Confident132 Ų13273.1 Ų73.162%0.61739%0.385SS*.Hα-helixtrans-66.1-36176.4-67.5-171-175.200113.2A254 Q255 K256E252-A254 VanDerWaalsContact C-N 3.25Å; E252-A254 PolarHBondContact O-N 3.22Å; E252-Q255 PolarHBondContact O-N 2.67Å; E252-K256 WeakPolarHBondContact O-CG 3.27Å; E252-K256 PolarHBondContact O-N 2.56Å; E252-K256 VanDerWaalsContact O-N 3.11Å; E252-K256 IonicContact OE2-NZ 3.73Å
253H82.1Confident86.3Confident153 Ų15377.1 Ų77.171%0.70840%0.395SS*.Hα-helixtrans-62.3-40.1-179.5-177.170.8000110.8S251 Y257S251-H253 VanDerWaalsContact C-N 3.33Å; S251-H253 PolarHBondContact O-N 3.25Å; H253-Y257 WeakPolarHBondContact O-CB 3.17Å; H253-Y257 PolarHBondContact O-N 2.81Å
254A81.3Confident86.6Confident0 Ų074.1 Ų74.10%037%0.374CS..Hα-helixtrans-58.6-52173.600000115W196 I249 S251 E252 K256 Y257 I258W196-A254 HydrophobicContact CD2-CB 3.04Å; W196-A254 HydrophobicContact CE3-CB 3.54Å; W196-A254 HydrophobicContact CG-CB 3.69Å; W196-A254 HydrophobicContact CH2-CB 3.56Å; W196-A254 VanDerWaalsContact CZ2-CA 3.45Å; W196-A254 HydrophobicContact CZ2-CB 3.11Å; W196-A254 HydrophobicContact CZ3-CB 3.76Å; W196-A254 VanDerWaalsContact NE1-CB 3.28Å; I249-A254 HydrophobicContact CG2-CB 3.6Å; S251-A254 WeakPolarHBondContact O-CB 3.45Å; S251-A254 PolarHBondContact O-N 3.34Å; E252-A254 VanDerWaalsContact C-N 3.25Å; E252-A254 PolarHBondContact O-N 3.22Å; A254-K256 VanDerWaalsContact C-N 3.28Å; A254-K256 PolarHBondContact O-N 3.27Å; A254-Y257 WeakPolarHBondContact O-CB 3.48Å; A254-Y257 PolarHBondContact O-N 2.8Å; A254-Y257 VanDerWaalsContact O-N 3.13Å; A254-I258 WeakPolarHBondContact O-CG1 3.45Å; A254-I258 PolarHBondContact O-N 3.01Å
255Q85.8Confident86.7Confident52 Ų5273.5 Ų73.524%0.24338%0.375CS..Hα-helixtrans-59.1-47.8-177.4-70.7-178.43.100108.9L246 I249 S251 E252 Y257 I258 Q259L246-Q255 PolarHBondContact O-NE2 3.11Å; I249-Q255 HydrophobicContact CB-CG 3.92Å; I249-Q255 HydrophobicContact CG2-CG 3.72Å; I249-Q255 PolarHBondContact O-NE2 2.64Å; S251-Q255 WeakPolarHBondContact O-CG 3.1Å; S251-Q255 PolarHBondContact O-N 2.67Å; E252-Q255 PolarHBondContact O-N 2.67Å; Q255-Y257 VanDerWaalsContact C-N 3.32Å; Q255-Y257 PolarHBondContact O-N 2.71Å; Q255-I258 PolarHBondContact O-N 3.29Å; Q255-Q259 VanDerWaalsContact O-CB 3.26Å; Q255-Q259 WeakPolarHBondContact O-CB 3.24Å; Q255-Q259 WeakPolarHBondContact O-CG 3.42Å; Q255-Q259 PolarHBondContact O-N 2.76Å
256K87.3Confident86.9Confident127 Ų12778.4 Ų78.455%0.55240%0.398SS*.Hα-helixtrans-59.8-42.6176.6-71.4171.6-177.7160.30111.7E252 A254 S260E252-K256 WeakPolarHBondContact O-CG 3.27Å; E252-K256 PolarHBondContact O-N 2.56Å; E252-K256 VanDerWaalsContact O-N 3.11Å; E252-K256 IonicContact OE2-NZ 3.73Å; A254-K256 VanDerWaalsContact C-N 3.28Å; A254-K256 PolarHBondContact O-N 3.27Å; K256-S260 WeakPolarHBondContact O-CB 3.42Å; K256-S260 PolarHBondContact O-N 3.09Å
257Y85.8Confident87.2Confident49 Ų4981.8 Ų81.819%0.19241%0.413CS..Hα-helixtrans-61.6-52.1176.7178.6-102.4000111.8I228 L231 K232 H253 A254 Q255 Q259 S260 L261I228-Y257 HydrophobicContact CD1-CD1 4.4Å; I228-Y257 HydrophobicContact CD1-CE1 3.9Å; I228-Y257 HydrophobicContact CD1-CE2 4.17Å; I228-Y257 WeakPolarHBondContact CG2-OH 3.39Å; L231-Y257 HydrophobicContact CD2-CD1 4.25Å; L231-Y257 HydrophobicContact CD2-CE1 4.03Å; K232-Y257 VanDerWaalsContact CE-OH 3.24Å; K232-Y257 WeakPolarHBondContact CE-OH 3.37Å; H253-Y257 WeakPolarHBondContact O-CB 3.17Å; H253-Y257 PolarHBondContact O-N 2.81Å; A254-Y257 WeakPolarHBondContact O-CB 3.48Å; A254-Y257 PolarHBondContact O-N 2.8Å; A254-Y257 VanDerWaalsContact O-N 3.13Å; Q255-Y257 VanDerWaalsContact C-N 3.32Å; Q255-Y257 PolarHBondContact O-N 2.71Å; Y257-Q259 VanDerWaalsContact C-N 3.35Å; Y257-Q259 PolarHBondContact O-N 2.95Å; Y257-S260 WeakPolarHBondContact O-CB 3.41Å; Y257-S260 PolarHBondContact O-N 2.98Å; Y257-S260 VanDerWaalsContact O-N 3.12Å; Y257-S260 PolarHBondContact O-OG 2.92Å; Y257-L261 HydrophobicContact CE1-CD1 3.86Å; Y257-L261 HydrophobicContact CE1-CG 4.41Å
258I86.6Confident87.6Confident10 Ų1077.7 Ų77.75%0.05140%0.398CS..Hα-helixtrans-62-43.1179.2-62.6164.9000111.2W196 M235 P241 L246 I249 A254 Q255 S260 L261W196-I258 HydrophobicContact CE3-CD1 3.98Å; W196-I258 HydrophobicContact CH2-CD1 3.99Å; W196-I258 HydrophobicContact CH2-CG1 4.1Å; W196-I258 HydrophobicContact CZ3-CD1 3.24Å; W196-I258 HydrophobicContact CZ3-CG1 3.85Å; M235-I258 HydrophobicContact SD-CG2 4.39Å; P241-I258 HydrophobicContact CG-CD1 4.24Å; P241-I258 HydrophobicContact CG-CG2 3.95Å; L246-I258 HydrophobicContact CD2-CB 4.03Å; L246-I258 HydrophobicContact CD2-CD1 3.9Å; L246-I258 HydrophobicContact CD2-CG2 3.78Å; I249-I258 HydrophobicContact CD1-CD1 3.51Å; A254-I258 WeakPolarHBondContact O-CG1 3.45Å; A254-I258 PolarHBondContact O-N 3.01Å; Q255-I258 PolarHBondContact O-N 3.29Å; I258-S260 PolarHBondContact O-N 3.26Å; I258-L261 WeakPolarHBondContact O-CB 3.45Å; I258-L261 PolarHBondContact O-N 3.41Å
259Q89.2Confident88Confident120 Ų12074 Ų7456%0.56138%0.382SS*.Hα-helixtrans-63.2-24.8178-73.7170.2-5.700112.8L246 Q255 Y257 L261L246-Q259 HydrophobicContact CD1-CG 4.09Å; Q255-Q259 VanDerWaalsContact O-CB 3.26Å; Q255-Q259 WeakPolarHBondContact O-CB 3.24Å; Q255-Q259 WeakPolarHBondContact O-CG 3.42Å; Q255-Q259 PolarHBondContact O-N 2.76Å; Y257-Q259 VanDerWaalsContact C-N 3.35Å; Y257-Q259 PolarHBondContact O-N 2.95Å; Q259-L261 VanDerWaalsContact C-N 3.28Å
260S90.3Very high88.6Confident87 Ų8777.9 Ų77.961%0.60840%0.4SS*.THydrogen-bonded Turntrans-77.3-14.5175.678.50000113.4K256 Y257 I258K256-S260 WeakPolarHBondContact O-CB 3.42Å; K256-S260 PolarHBondContact O-N 3.09Å; Y257-S260 WeakPolarHBondContact O-CB 3.41Å; Y257-S260 PolarHBondContact O-N 2.98Å; Y257-S260 VanDerWaalsContact O-N 3.12Å; Y257-S260 PolarHBondContact O-OG 2.92Å; I258-S260 PolarHBondContact O-N 3.26Å
261L88.5Confident89.3Confident28 Ų2879.6 Ų79.615%0.14740%0.397CS..SBendtrans-81.2148.6179.1-63.1175.6000110.7M235 Y257 I258 Q259M235-L261 HydrophobicContact CE-CD1 3.21Å; M235-L261 HydrophobicContact SD-CD1 4.32Å; Y257-L261 HydrophobicContact CE1-CD1 3.86Å; Y257-L261 HydrophobicContact CE1-CG 4.41Å; I258-L261 WeakPolarHBondContact O-CB 3.45Å; I258-L261 PolarHBondContact O-N 3.41Å; Q259-L261 VanDerWaalsContact C-N 3.28Å
262P91.4Very high89.9Confident92 Ų9279.4 Ų79.460%0.59739%0.392SS*.PPolyproline II helixtrans-62.7146172.728.3-34.4000110.1M264P262-M264 HydrophobicContact CG-CE 4.17Å; P262-M264 PolarHBondContact O-N 3Å
263F92.9Very high90.5Very high165 Ų16573.5 Ų73.572%0.72436%0.364SS*.PPolyproline II helixtrans-58.5131.2172.4174.9-100.2000110.4T240 P265T240-F263 WeakPolarHBondContact OG1-CD2 3.4Å; F263-P265 HydrophobicContact CE1-CB 4.21Å
264M94.2Very high91Very high32 Ų3275.9 Ų75.916%0.15837%0.367CS..  trans-119.9118.6177.1-56.4176.1-164.900108.4M235 E236 G239 T240 P262M235-M264 HydrophobicContact CB-SD 3.95Å; E236-M264 HydrophobicContact CG-SD 3.99Å; G239-M264 CarbonylContact C-O 3.51Å; G239-M264 WeakPolarHBondContact CA-O 3.45Å; T240-M264 HydrophobicContact CG2-CB 4.02Å; T240-M264 HydrophobicContact CG2-CG 4.06Å; T240-M264 PolarHBondContact N-O 3.22Å; T240-M264 PolarHBondContact OG1-N 3.44Å; T240-M264 PolarHBondContact OG1-O 2.73Å; P262-M264 HydrophobicContact CG-CE 4.17Å; P262-M264 PolarHBondContact O-N 3Å
265P92.6Very high91.6Very high90 Ų9080.2 Ų80.258%0.58441%0.411SS*.PPolyproline II helixtrans-69.9147.7172.830.1-33.6000110.1F263 Q267F263-P265 HydrophobicContact CE1-CB 4.21Å; P265-Q267 PolarHBondContact O-N 3.42Å
266Q92.7Very high92.1Very high116 Ų11679 Ų7954%0.54241%0.41SS..PPolyproline II helixtrans-57.2132.7172.4-175178.19.800110.1
267Q93.6Very high92.5Very high93 Ų9375.2 Ų75.244%0.43540%0.396SS..PPolyproline II helixtrans-76.1151.9176.6-76.3-172.716.400111.8E236 V237 P265 M269 I272E236-Q267 WeakPolarHBondContact O-CG 3.45Å; E236-Q267 PolarHBondContact O-NE2 3.4Å; V237-Q267 PolarHBondContact O-N 2.96Å; P265-Q267 PolarHBondContact O-N 3.42Å; Q267-M269 PolarHBondContact O-N 3.42Å; Q267-M269 VanDerWaalsContact O-N 3.13Å; Q267-I272 HydrophobicContact CB-CD1 3.89Å
268D93.9Very high93.1Very high63 Ų6377.7 Ų77.734%0.33742%0.418SS..  trans-70.6100.8171.7-178.9-13.4000109.5E270 K271 I272D268-E270 PolarHBondContact O-N 2.8Å; D268-E270 VanDerWaalsContact OD1-CB 3.32Å; D268-E270 WeakPolarHBondContact OD1-CB 3.43Å; D268-E270 PolarHBondContact OD1-N 3.44Å; D268-E270 VanDerWaalsContact OD1-OE2 3.11Å; D268-K271 HydrophobicContact CB-CB 4.36Å; D268-K271 HydrophobicContact CB-CD 4.03Å; D268-K271 HydrophobicContact CB-CG 4.21Å; D268-K271 WeakPolarHBondContact O-CB 3.38Å; D268-K271 PolarHBondContact O-N 3.25Å; D268-K271 PolarHBondContact OD1-N 3.27Å; D268-K271 WeakPolarHBondContact OD2-CD 3.34Å; D268-K271 WeakPolarHBondContact OD2-CE 3.31Å; D268-K271 IonicContact OD2-NZ 3.29Å; D268-K271 PolarHBondContact OD2-NZ 3.11Å; D268-I272 PolarHBondContact O-N 3.13Å
269M94.1Very high93.7Very high1 Ų180.6 Ų80.61%0.00543%0.434CS..Hα-helixtrans-60.6-29.1-176.4-69.3-76.7-170.700111.8V237 V238 Q267 K271 I272 F273 I281 K285 L288V237-M269 HydrophobicContact CG1-CE 3.5Å; V237-M269 VanDerWaalsContact CG1-CE 3.5Å; V237-M269 HydrophobicContact CG1-SD 3.9Å; V238-M269 HydrophobicContact CG1-CE 4.25Å; Q267-M269 PolarHBondContact O-N 3.42Å; Q267-M269 VanDerWaalsContact O-N 3.13Å; M269-K271 PolarHBondContact O-N 3.35Å; M269-I272 WeakPolarHBondContact O-CB 3.34Å; M269-I272 PolarHBondContact O-N 2.9Å; M269-I272 HydrophobicContact SD-CD1 4.06Å; M269-F273 HydrophobicContact CB-CD2 4.33Å; M269-F273 WeakPolarHBondContact O-CD2 3.27Å; M269-F273 PolarHBondContact O-N 2.96Å; M269-F273 HydrophobicContact SD-CD2 4.38Å; M269-F273 HydrophobicContact SD-CE2 3.79Å; M269-I281 HydrophobicContact CB-CG2 3.71Å; M269-K285 HydrophobicContact CB-CG 4.36Å; M269-K285 HydrophobicContact CG-CG 3.96Å; M269-L288 HydrophobicContact CE-CB 4.48Å; M269-L288 HydrophobicContact CE-CD1 4.23Å
270E94.8Very high94.1Very high91 Ų9174.9 Ų74.943%0.42541%0.407SS..Hα-helixtrans-63.6-31.2174.9-63.383.3153.600112.1D268 R274 I281 K285D268-E270 PolarHBondContact O-N 2.8Å; D268-E270 VanDerWaalsContact OD1-CB 3.32Å; D268-E270 WeakPolarHBondContact OD1-CB 3.43Å; D268-E270 PolarHBondContact OD1-N 3.44Å; D268-E270 VanDerWaalsContact OD1-OE2 3.11Å; E270-R274 PolarHBondContact O-N 2.66Å; E270-I281 HydrophobicContact CB-CD1 4.48Å; E270-I281 HydrophobicContact CG-CD1 4.15Å; E270-I281 HydrophobicContact CG-CG2 4.19Å; E270-K285 IonicContact OE1-NZ 2.81Å; E270-K285 PolarHBondContact OE1-NZ 2.73Å; E270-K285 VanDerWaalsContact OE2-CE 3.28Å; E270-K285 WeakPolarHBondContact OE2-CE 3.31Å; E270-K285 IonicContact OE2-NZ 2.85Å; E270-K285 PolarHBondContact OE2-NZ 3.28Å
271K94.3Very high94.5Very high134 Ų13471 Ų7158%0.58338%0.379SS*.Hα-helixtrans-77.8-26.5171.8-70.1178-174.11260113.2D268 M269 R274D268-K271 HydrophobicContact CB-CB 4.36Å; D268-K271 HydrophobicContact CB-CD 4.03Å; D268-K271 HydrophobicContact CB-CG 4.21Å; D268-K271 WeakPolarHBondContact O-CB 3.38Å; D268-K271 PolarHBondContact O-N 3.25Å; D268-K271 PolarHBondContact OD1-N 3.27Å; D268-K271 WeakPolarHBondContact OD2-CD 3.34Å; D268-K271 WeakPolarHBondContact OD2-CE 3.31Å; D268-K271 IonicContact OD2-NZ 3.29Å; D268-K271 PolarHBondContact OD2-NZ 3.11Å; M269-K271 PolarHBondContact O-N 3.35Å; K271-R274 VanDerWaalsContact O-CG 3.24Å; K271-R274 WeakPolarHBondContact O-CG 3.44Å; K271-R274 PolarHBondContact O-NE 2.75Å
272I94Very high95Very high32 Ų3272.4 Ų72.416%0.16439%0.387CS..Hα-helixtrans-76.3-44.5176.8-61.2176.2000110.2V237 Q267 D268 M269V237-I272 HydrophobicContact CG1-CD1 3.76Å; V237-I272 HydrophobicContact CG2-CD1 4.33Å; Q267-I272 HydrophobicContact CB-CD1 3.89Å; D268-I272 PolarHBondContact O-N 3.13Å; M269-I272 WeakPolarHBondContact O-CB 3.34Å; M269-I272 PolarHBondContact O-N 2.9Å; M269-I272 HydrophobicContact SD-CD1 4.06Å
273F95.1Very high95.3Very high8 Ų868 Ų684%0.03536%0.358CS..SBendtrans-106.253.5-177.2-58.4-76.5000111.1G213 L216 K217 L221 M269 G275 A276 I281 L284G213-F273 WeakPolarHBondContact O-CE1 3.3Å; L216-F273 HydrophobicContact CB-CD1 4.17Å; K217-F273 HydrophobicContact CB-CD1 4.41Å; K217-F273 HydrophobicContact CB-CE1 4.19Å; L221-F273 HydrophobicContact CD1-CE1 4.38Å; L221-F273 HydrophobicContact CD1-CZ 3.8Å; L221-F273 HydrophobicContact CD2-CZ 4.46Å; M269-F273 HydrophobicContact CB-CD2 4.33Å; M269-F273 WeakPolarHBondContact O-CD2 3.27Å; M269-F273 PolarHBondContact O-N 2.96Å; M269-F273 HydrophobicContact SD-CD2 4.38Å; M269-F273 HydrophobicContact SD-CE2 3.79Å; F273-G275 PolarHBondContact O-N 3.48Å; F273-A276 HydrophobicContact CB-CB 3.95Å; F273-A276 VanDerWaalsContact O-CB 3.31Å; F273-A276 WeakPolarHBondContact O-CB 3.3Å; F273-A276 PolarHBondContact O-N 2.96Å; F273-I281 HydrophobicContact CB-CD1 4.21Å; F273-I281 HydrophobicContact CB-CG1 4.2Å; F273-L284 HydrophobicContact CD1-CD1 4.39Å; F273-L284 HydrophobicContact CD2-CD1 4Å; F273-L284 HydrophobicContact CE1-CD1 4.09Å; F273-L284 HydrophobicContact CE2-CD1 3.67Å; F273-L284 HydrophobicContact CG-CD1 4.35Å; F273-L284 HydrophobicContact CZ-CD1 3.72Å
274R93.4Very high95.6Very high204 Ų20460.2 Ų60.277%0.7732%0.324SS*.THydrogen-bonded Turntrans-58.4126.2-177.2-62.4-171.6-172.9-172.3-1.7111.3E270 K271 A276E270-R274 PolarHBondContact O-N 2.66Å; K271-R274 VanDerWaalsContact O-CG 3.24Å; K271-R274 WeakPolarHBondContact O-CG 3.44Å; K271-R274 PolarHBondContact O-NE 2.75Å; R274-A276 VanDerWaalsContact C-N 3.29Å
275G92.4Very high95.7Very high90 Ų9061.7 Ų61.793%0.92833%0.33SS*.THydrogen-bonded Turntrans81.91.417900000114.6F273F273-G275 PolarHBondContact O-N 3.48Å
276A96.3Very high96Very high26 Ų2663.3 Ų63.322%0.21532%0.324CS..SBendtrans-74.1157.9169.700000111.1L216 F273 R274 I281L216-A276 HydrophobicContact CD2-CB 4.47Å; F273-A276 HydrophobicContact CB-CB 3.95Å; F273-A276 VanDerWaalsContact O-CB 3.31Å; F273-A276 WeakPolarHBondContact O-CB 3.3Å; F273-A276 PolarHBondContact O-N 2.96Å; R274-A276 VanDerWaalsContact C-N 3.29Å; A276-I281 HydrophobicContact CB-CD1 4.19Å; A276-I281 HydrophobicContact CB-CG1 4.18Å
277N97.6Very high96.3Very high49 Ų4957.8 Ų57.826%0.26230%0.298SS..  trans-58.9128.3176.5-176.9-25.6000110.4D123 L279 A280 I281 Y306D123-N277 WeakPolarHBondContact OD1-CB 3.3Å; D123-N277 WeakPolarHBondContact OD2-CB 3.17Å; D123-N277 PolarHBondContact OD2-ND2 2.78Å; N277-L279 PolarHBondContact O-N 3.41Å; N277-L279 VanDerWaalsContact O-N 3.15Å; N277-L279 WeakPolarHBondContact OD1-CB 3.15Å; N277-L279 PolarHBondContact OD1-N 2.87Å; N277-A280 HydrophobicContact CB-CB 4.05Å; N277-A280 WeakPolarHBondContact O-CA 3.26Å; N277-A280 VanDerWaalsContact O-CB 3.29Å; N277-A280 WeakPolarHBondContact O-CB 3.43Å; N277-A280 PolarHBondContact O-N 2.97Å; N277-I281 PolarHBondContact O-N 2.91Å; N277-I281 VanDerWaalsContact O-N 3.14Å; N277-Y306 HydrophobicContact CB-CE2 4.29Å
278P98.1Very high96.4Very high100 Ų10053.5 Ų53.565%0.64928%0.278SS*.Hα-helixtrans-54.3-33.4178.2-27.835.6000114I281 D282P278-I281 PolarHBondContact O-N 2.85Å; P278-D282 PolarHBondContact O-N 3.43Å
279L98.5Very high96.5Very high72 Ų7252.1 Ų52.138%0.37727%0.272SS..Hα-helixtrans-70.1-34.2176.4-62.5179.5000112.2N277 I281 D282 L283 H304 P305 Y306N277-L279 PolarHBondContact O-N 3.41Å; N277-L279 VanDerWaalsContact O-N 3.15Å; N277-L279 WeakPolarHBondContact OD1-CB 3.15Å; N277-L279 PolarHBondContact OD1-N 2.87Å; L279-I281 VanDerWaalsContact C-N 3.3Å; L279-D282 PolarHBondContact O-N 3.17Å; L279-L283 PolarHBondContact O-N 2.88Å; L279-H304 PolarHBondContact O-CE1 3.23Å; L279-H304 VanDerWaalsContact O-CE1 3.29Å; L279-P305 HydrophobicContact CD1-CB 4.35Å; L279-P305 HydrophobicContact CD2-CB 4.29Å; L279-Y306 HydrophobicContact CB-CD2 3.85Å; L279-Y306 HydrophobicContact CB-CG 4.35Å
280A98.3Very high96.4Very high0 Ų053.5 Ų53.50%028%0.279CS..Hα-helixtrans-64.7-39.4173.200000110.9M212 L216 N277 L283 L284 Y306M212-A280 HydrophobicContact CE-CB 3.61Å; M212-A280 WeakPolarHBondContact CE-O 3.24Å; L216-A280 HydrophobicContact CD1-CB 4.12Å; N277-A280 HydrophobicContact CB-CB 4.05Å; N277-A280 WeakPolarHBondContact O-CA 3.26Å; N277-A280 VanDerWaalsContact O-CB 3.29Å; N277-A280 WeakPolarHBondContact O-CB 3.43Å; N277-A280 PolarHBondContact O-N 2.97Å; A280-L283 PolarHBondContact O-N 2.83Å; A280-L284 WeakPolarHBondContact O-CG 3.43Å; A280-L284 PolarHBondContact O-N 2.87Å; A280-Y306 HydrophobicContact CB-CD2 4.09Å; A280-Y306 HydrophobicContact CB-CE1 4.2Å; A280-Y306 HydrophobicContact CB-CE2 3.58Å
281I98.2Very high96.2Very high6 Ų649.7 Ų49.73%0.03126%0.262CS..Hα-helixtrans-69.5-41.3178.4-58.3173.9000110.9M269 E270 F273 A276 N277 P278 L279 L283 L284 K285M269-I281 HydrophobicContact CB-CG2 3.71Å; E270-I281 HydrophobicContact CB-CD1 4.48Å; E270-I281 HydrophobicContact CG-CD1 4.15Å; E270-I281 HydrophobicContact CG-CG2 4.19Å; F273-I281 HydrophobicContact CB-CD1 4.21Å; F273-I281 HydrophobicContact CB-CG1 4.2Å; A276-I281 HydrophobicContact CB-CD1 4.19Å; A276-I281 HydrophobicContact CB-CG1 4.18Å; N277-I281 PolarHBondContact O-N 2.91Å; N277-I281 VanDerWaalsContact O-N 3.14Å; P278-I281 PolarHBondContact O-N 2.85Å; L279-I281 VanDerWaalsContact C-N 3.3Å; I281-L283 VanDerWaalsContact C-N 3.33Å; I281-L283 PolarHBondContact O-N 3.31Å; I281-L284 PolarHBondContact O-N 3.23Å; I281-K285 WeakPolarHBondContact O-CG 3.15Å; I281-K285 PolarHBondContact O-N 2.8Å
282D98.4Very high96Very high57 Ų5743.5 Ų43.531%0.30524%0.235SC..Hα-helixtrans-59.2-45.4174.3-166.667.3000111.2P278 L279 L284 K285 R286 H304P278-D282 PolarHBondContact O-N 3.43Å; L279-D282 PolarHBondContact O-N 3.17Å; D282-L284 PolarHBondContact O-N 2.91Å; D282-K285 WeakPolarHBondContact O-CB 3.34Å; D282-K285 PolarHBondContact O-N 3.28Å; D282-R286 WeakPolarHBondContact O-CG 3.32Å; D282-R286 PolarHBondContact O-N 3.44Å; D282-R286 IonicContact OD2-CZ 3.13Å; D282-R286 IonicContact OD2-NE 3.12Å; D282-R286 PolarHBondContact OD2-NE 3.23Å; D282-R286 IonicContact OD2-NH2 3.43Å; D282-R286 PolarHBondContact OD2-NH2 3.42Å; D282-R286 VanDerWaalsContact OD2-NH2 3.12Å; D282-H304 IonicContact OD2-NE2 3.83Å; D282-H304 PolarHBondContact OD2-NE2 3.08Å; D282-H304 VanDerWaalsContact OD2-NE2 3.13Å
283L98.6Very high95.7Very high0 Ų046.8 Ų46.80%025%0.253CS..Hα-helixtrans-60.8-45.3176.7-174.559.8000111.9M212 L279 A280 I281 K285 R286 M287 I296 A301 H304 Y306 F307M212-L283 HydrophobicContact CE-CB 4.38Å; M212-L283 HydrophobicContact CE-CD2 4.1Å; M212-L283 HydrophobicContact SD-CD2 3.99Å; M212-L283 HydrophobicContact SD-CG 4.36Å; L279-L283 PolarHBondContact O-N 2.88Å; A280-L283 PolarHBondContact O-N 2.83Å; I281-L283 VanDerWaalsContact C-N 3.33Å; I281-L283 PolarHBondContact O-N 3.31Å; L283-K285 VanDerWaalsContact C-N 3.3Å; L283-K285 PolarHBondContact O-N 2.68Å; L283-R286 PolarHBondContact O-N 2.89Å; L283-R286 VanDerWaalsContact O-N 3.1Å; L283-M287 HydrophobicContact CD1-CE 3.82Å; L283-M287 HydrophobicContact CD2-CE 3.83Å; L283-M287 HydrophobicContact CG-CE 3.69Å; L283-M287 HydrophobicContact CG-SD 4.21Å; L283-M287 WeakPolarHBondContact O-CG 3.31Å; L283-M287 PolarHBondContact O-N 3.34Å; L283-I296 HydrophobicContact CD1-CD1 4.39Å; L283-A301 HydrophobicContact CD1-CB 4.23Å; L283-H304 HydrophobicContact CD1-CB 4Å; L283-Y306 HydrophobicContact CD2-CD1 3.81Å; L283-F307 HydrophobicContact CD2-CE1 4.45Å; L283-F307 HydrophobicContact CD2-CE2 3.4Å; L283-F307 HydrophobicContact CD2-CZ 3.34Å
284L98.1Very high95.6Very high0 Ų053.2 Ų53.20%028%0.283CS..Hα-helixtrans-58.4-40175.7-83.2176.2000112.7G209 M212 L216 F273 A280 I281 D282 R286 M287 L288G209-L284 VanDerWaalsContact O-CD2 3.23Å; G209-L284 WeakPolarHBondContact O-CD2 3.39Å; M212-L284 HydrophobicContact CB-CD2 3.93Å; M212-L284 HydrophobicContact CE-CG 4.29Å; M212-L284 HydrophobicContact CG-CD2 3.91Å; M212-L284 HydrophobicContact CG-CG 4.22Å; M212-L284 HydrophobicContact SD-CD2 4.04Å; M212-L284 HydrophobicContact SD-CG 4.05Å; L216-L284 HydrophobicContact CD1-CD1 3.73Å; F273-L284 HydrophobicContact CD1-CD1 4.39Å; F273-L284 HydrophobicContact CD2-CD1 4Å; F273-L284 HydrophobicContact CE1-CD1 4.09Å; F273-L284 HydrophobicContact CE2-CD1 3.67Å; F273-L284 HydrophobicContact CG-CD1 4.35Å; F273-L284 HydrophobicContact CZ-CD1 3.72Å; A280-L284 WeakPolarHBondContact O-CG 3.43Å; A280-L284 PolarHBondContact O-N 2.87Å; I281-L284 PolarHBondContact O-N 3.23Å; D282-L284 PolarHBondContact O-N 2.91Å; L284-R286 VanDerWaalsContact C-N 3.26Å; L284-R286 PolarHBondContact O-N 3.49Å; L284-M287 PolarHBondContact O-N 3.36Å; L284-L288 HydrophobicContact CD2-CD1 4.24Å; L284-L288 WeakPolarHBondContact O-CB 3.12Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 2.66Å
285K97.5Very high95.7Very high64 Ų6443.7 Ų43.728%0.27825%0.248SC..Hα-helixtrans-62.1-35.2176.8-73.9174-179.7178.70112M269 E270 I281 D282 L283 V289M269-K285 HydrophobicContact CB-CG 4.36Å; M269-K285 HydrophobicContact CG-CG 3.96Å; E270-K285 IonicContact OE1-NZ 2.81Å; E270-K285 PolarHBondContact OE1-NZ 2.73Å; E270-K285 VanDerWaalsContact OE2-CE 3.28Å; E270-K285 WeakPolarHBondContact OE2-CE 3.31Å; E270-K285 IonicContact OE2-NZ 2.85Å; E270-K285 PolarHBondContact OE2-NZ 3.28Å; I281-K285 WeakPolarHBondContact O-CG 3.15Å; I281-K285 PolarHBondContact O-N 2.8Å; D282-K285 WeakPolarHBondContact O-CB 3.34Å; D282-K285 PolarHBondContact O-N 3.28Å; L283-K285 VanDerWaalsContact C-N 3.3Å; L283-K285 PolarHBondContact O-N 2.68Å; K285-V289 VanDerWaalsContact O-CG2 3.23Å; K285-V289 WeakPolarHBondContact O-CG2 3.45Å
286R98.2Very high96Very high124 Ų12440.2 Ų40.247%0.46821%0.207SC..Hα-helixtrans-78-26.6177.9-63.2173.9-173.3-109.50.6113.4D282 L283 L284 I296D282-R286 WeakPolarHBondContact O-CG 3.32Å; D282-R286 PolarHBondContact O-N 3.44Å; D282-R286 IonicContact OD2-CZ 3.13Å; D282-R286 IonicContact OD2-NE 3.12Å; D282-R286 PolarHBondContact OD2-NE 3.23Å; D282-R286 IonicContact OD2-NH2 3.43Å; D282-R286 PolarHBondContact OD2-NH2 3.42Å; D282-R286 VanDerWaalsContact OD2-NH2 3.12Å; L283-R286 PolarHBondContact O-N 2.89Å; L283-R286 VanDerWaalsContact O-N 3.1Å; L284-R286 VanDerWaalsContact C-N 3.26Å; L284-R286 PolarHBondContact O-N 3.49Å; R286-I296 HydrophobicContact CB-CB 4.06Å; R286-I296 HydrophobicContact CB-CD1 4.33Å; R286-I296 HydrophobicContact CB-CG2 3.96Å; R286-I296 WeakPolarHBondContact O-CG2 3.3Å; R286-I296 PolarHBondContact O-N 3.29Å
287M98.3Very high96.1Very high0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-83.3-39.4175.3-67.1179.7170.800112.9L134 I205 V208 M212 L283 L284 V289 R295 I296 A301L134-M287 HydrophobicContact CD1-CE 3.85Å; L134-M287 HydrophobicContact CD2-CE 4.02Å; L134-M287 HydrophobicContact CG-CE 4.4Å; I205-M287 HydrophobicContact CG2-CB 3.95Å; I205-M287 HydrophobicContact CG2-CG 3.72Å; V208-M287 HydrophobicContact CG1-CE 3.9Å; V208-M287 HydrophobicContact CG1-SD 4.01Å; M212-M287 HydrophobicContact SD-SD 4.36Å; L283-M287 HydrophobicContact CD1-CE 3.82Å; L283-M287 HydrophobicContact CD2-CE 3.83Å; L283-M287 HydrophobicContact CG-CE 3.69Å; L283-M287 HydrophobicContact CG-SD 4.21Å; L283-M287 WeakPolarHBondContact O-CG 3.31Å; L283-M287 PolarHBondContact O-N 3.34Å; L284-M287 PolarHBondContact O-N 3.36Å; M287-V289 VanDerWaalsContact C-N 3.25Å; M287-V289 PolarHBondContact O-N 2.53Å; M287-V289 VanDerWaalsContact O-N 3.17Å; M287-R295 WeakPolarHBondContact O-CD 3.41Å; M287-R295 VanDerWaalsContact O-CG 3.26Å; M287-R295 WeakPolarHBondContact O-CG 3.47Å; M287-R295 PolarHBondContact O-NE 2.91Å; M287-I296 HydrophobicContact CG-CG2 3.89Å; M287-A301 HydrophobicContact CE-CB 4.2Å
288L97.4Very high96.1Very high3 Ų337.8 Ų37.82%0.01619%0.193CC..SBendtrans-92.150-175.7-61.9177.2000111.9W206 L221 F222 V238 M269 L284W206-L288 HydrophobicContact CD2-CD2 4.21Å; W206-L288 HydrophobicContact CE3-CD2 4.21Å; W206-L288 HydrophobicContact CH2-CD2 4.42Å; W206-L288 HydrophobicContact CZ2-CD2 4.42Å; W206-L288 HydrophobicContact CZ3-CB 4.38Å; W206-L288 HydrophobicContact CZ3-CD2 4.33Å; L221-L288 HydrophobicContact CD2-CD1 3.61Å; F222-L288 HydrophobicContact CE2-CD2 4.26Å; V238-L288 HydrophobicContact CG1-CB 4.17Å; V238-L288 WeakPolarHBondContact CG1-O 3.37Å; M269-L288 HydrophobicContact CE-CB 4.48Å; M269-L288 HydrophobicContact CE-CD1 4.23Å; L284-L288 HydrophobicContact CD2-CD1 4.24Å; L284-L288 WeakPolarHBondContact O-CB 3.12Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 2.66Å
289V95.3Very high96.1Very high34 Ų3435.6 Ų35.621%0.20618%0.18CC..  trans-96.7133.2174.7-176.70000109.3K285 M287 D291 E294 R295K285-V289 VanDerWaalsContact O-CG2 3.23Å; K285-V289 WeakPolarHBondContact O-CG2 3.45Å; M287-V289 VanDerWaalsContact C-N 3.25Å; M287-V289 PolarHBondContact O-N 2.53Å; M287-V289 VanDerWaalsContact O-N 3.17Å; V289-D291 HydrophobicContact CG1-CB 4.42Å; V289-E294 HydrophobicContact CG1-CB 4.01Å; V289-R295 HydrophobicContact CB-CB 4.45Å; V289-R295 PolarHBondContact O-NE 3.07Å; V289-R295 PolarHBondContact O-NH2 2.88Å
290L92.1Very high96Very high29 Ų2937.7 Ų37.715%0.15219%0.188CC..SBendtrans-67.9-40.2-179.7-74.2178.9000112.6P190 W206 I234 V238 G239 P241 L245 C292P190-L290 HydrophobicContact CG-CD2 3.88Å; W206-L290 HydrophobicContact CH2-CD2 4.34Å; W206-L290 HydrophobicContact CZ3-CD2 4.47Å; I234-L290 HydrophobicContact CG2-CD2 3.92Å; V238-L290 HydrophobicContact CB-CG 4.43Å; V238-L290 HydrophobicContact CG2-CD1 3.87Å; V238-L290 HydrophobicContact CG2-CD2 3.5Å; V238-L290 HydrophobicContact CG2-CG 3.48Å; V238-L290 VanDerWaalsContact CG2-CG 3.48Å; G239-L290 WeakPolarHBondContact O-CD1 3.4Å; P241-L290 HydrophobicContact CG-CD1 4.02Å; L245-L290 HydrophobicContact CD2-CB 3.54Å; L245-L290 HydrophobicContact CD2-CD1 4.41Å; L290-C292 PolarHBondContact O-N 3.48Å
291D90.3Very high96.1Very high12 Ų1237.7 Ų37.76%0.06419%0.188CC..SBendtrans-73.3115.5173.4-162.6-30.9000109.2L245 K248 V289 D293 E294 R295L245-D291 HydrophobicContact CD1-CB 3.83Å; L245-D291 HydrophobicContact CD2-CB 4.39Å; K248-D291 WeakPolarHBondContact CE-OD2 3.42Å; K248-D291 VanDerWaalsContact NZ-CG 3.29Å; K248-D291 IonicContact NZ-OD1 3.47Å; K248-D291 PolarHBondContact NZ-OD1 2.69Å; K248-D291 IonicContact NZ-OD2 3.44Å; K248-D291 PolarHBondContact NZ-OD2 3.33Å; V289-D291 HydrophobicContact CG1-CB 4.42Å; D291-D293 PolarHBondContact O-N 3.44Å; D291-D293 WeakPolarHBondContact OD1-CB 3.3Å; D291-D293 PolarHBondContact OD1-N 3.29Å; D291-E294 HydrophobicContact CB-CB 4.17Å; D291-E294 HydrophobicContact CB-CG 4.02Å; D291-E294 PolarHBondContact O-N 3.29Å; D291-R295 PolarHBondContact O-N 3Å
292C88.9Confident96.1Very high3 Ų337.4 Ų37.42%0.0219%0.186CC..THydrogen-bonded Turntrans-69.7-20.8-178.358.80000112.9E191 N202 L290E191-C292 WeakPolarHBondContact OE1-CB 3.32Å; N202-C292 PolarHBondContact ND2-O 3.49Å; L290-C292 PolarHBondContact O-N 3.48Å
293D88.9Confident96Very high101 Ų10137.6 Ų37.654%0.5420%0.196SC..THydrogen-bonded Turntrans-77.5-27176.6-60.7-37.3000112K248 D291K248-D293 IonicContact NZ-OD2 3.65Å; K248-D293 PolarHBondContact NZ-OD2 3.19Å; D291-D293 PolarHBondContact O-N 3.44Å; D291-D293 WeakPolarHBondContact OD1-CB 3.3Å; D291-D293 PolarHBondContact OD1-N 3.29Å
294E93.2Very high96.1Very high143 Ų14338.1 Ų38.167%0.66820%0.198SC*.THydrogen-bonded Turntrans-92.1-7.7178.6-61.2-173.7164.800112.8V289 D291V289-E294 HydrophobicContact CG1-CB 4.01Å; D291-E294 HydrophobicContact CB-CB 4.17Å; D291-E294 HydrophobicContact CB-CG 4.02Å; D291-E294 PolarHBondContact O-N 3.29Å
295R96Very high96.1Very high5 Ų541.7 Ų41.72%0.01922%0.221CC..SBendtrans-72.5135.3-179.7-162.6178.2-61.2140.63.8109.8E191 N202 I205 M287 V289 D291 S297E191-R295 IonicContact OE1-CZ 2.79Å; E191-R295 IonicContact OE1-NH1 2.79Å; E191-R295 PolarHBondContact OE1-NH1 3.06Å; E191-R295 IonicContact OE1-NH2 3.06Å; E191-R295 PolarHBondContact OE1-NH2 2.86Å; E191-R295 VanDerWaalsContact OE1-NH2 3.17Å; E191-R295 IonicContact OE2-NH2 2.72Å; E191-R295 PolarHBondContact OE2-NH2 2.73Å; N202-R295 HydrophobicContact CB-CB 4.17Å; N202-R295 PolarHBondContact ND2-O 3.3Å; N202-R295 VanDerWaalsContact ND2-O 3.14Å; N202-R295 WeakPolarHBondContact O-CD 3.28Å; N202-R295 PolarHBondContact O-NH1 2.92Å; I205-R295 HydrophobicContact CB-CG 4.34Å; I205-R295 HydrophobicContact CG2-CG 3.98Å; M287-R295 WeakPolarHBondContact O-CD 3.41Å; M287-R295 VanDerWaalsContact O-CG 3.26Å; M287-R295 WeakPolarHBondContact O-CG 3.47Å; M287-R295 PolarHBondContact O-NE 2.91Å; V289-R295 HydrophobicContact CB-CB 4.45Å; V289-R295 PolarHBondContact O-NE 3.07Å; V289-R295 PolarHBondContact O-NH2 2.88Å; D291-R295 PolarHBondContact O-N 3Å; R295-S297 PolarHBondContact O-N 2.96Å
296I98.3Very high96.1Very high17 Ų1738.7 Ų38.79%0.08721%0.208CC..PPolyproline II helixtrans-56.1138.7176.9-164.9169.2000110.9I205 L283 R286 M287 E300 A301I205-I296 WeakPolarHBondContact CG1-O 3.27Å; I205-I296 HydrophobicContact CG2-CG2 4.05Å; I205-I296 WeakPolarHBondContact CG2-O 3.38Å; L283-I296 HydrophobicContact CD1-CD1 4.39Å; R286-I296 HydrophobicContact CB-CB 4.06Å; R286-I296 HydrophobicContact CB-CD1 4.33Å; R286-I296 HydrophobicContact CB-CG2 3.96Å; R286-I296 WeakPolarHBondContact O-CG2 3.3Å; R286-I296 PolarHBondContact O-N 3.29Å; M287-I296 HydrophobicContact CG-CG2 3.89Å; I296-E300 HydrophobicContact CD1-CB 4.03Å; I296-E300 HydrophobicContact CG1-CB 3.47Å; I296-E300 VanDerWaalsContact CG1-CB 3.47Å; I296-A301 HydrophobicContact CD1-CB 3.97Å; I296-A301 HydrophobicContact CG1-CB 4.17Å; I296-A301 HydrophobicContact CG2-CB 4.29Å
297S97.9Very high96.1Very high21 Ų2132.8 Ų32.815%0.14719%0.186CC..PPolyproline II helixtrans-79.2168.2173.264.80000112.1R295 S299 E300 A301R295-S297 PolarHBondContact O-N 2.96Å; S297-S299 VanDerWaalsContact C-N 3.33Å; S297-S299 PolarHBondContact O-N 2.88Å; S297-E300 WeakPolarHBondContact CB-OE2 3.21Å; S297-E300 PolarHBondContact N-OE2 2.88Å; S297-E300 PolarHBondContact O-N 3.34Å; S297-E300 WeakPolarHBondContact OG-CB 3.08Å; S297-E300 VanDerWaalsContact OG-CD 3.24Å; S297-E300 VanDerWaalsContact OG-CG 3.24Å; S297-E300 WeakPolarHBondContact OG-CG 3.38Å; S297-E300 PolarHBondContact OG-N 3.41Å; S297-E300 PolarHBondContact OG-OE2 3.07Å; S297-A301 VanDerWaalsContact O-CB 3.23Å; S297-A301 WeakPolarHBondContact O-CB 3.28Å; S297-A301 PolarHBondContact O-N 3.38Å
298A97.8Very high96Very high2 Ų237.1 Ų37.12%0.01722%0.216CC..Hα-helixtrans-59.2-43.917500000111.9L137 K138 I205 A301 L302L137-A298 HydrophobicContact CB-CB 4.41Å; L137-A298 HydrophobicContact CG-CB 4.44Å; K138-A298 HydrophobicContact CB-CB 4.16Å; I205-A298 HydrophobicContact CD1-CB 4Å; A298-A301 PolarHBondContact O-N 3.42Å; A298-L302 WeakPolarHBondContact O-CG 3.37Å; A298-L302 PolarHBondContact O-N 3.03Å
299S97.1Very high95.9Very high55 Ų5543.5 Ų43.539%0.38525%0.246SC..Hα-helixtrans-63.5-44.1179-55.70000112.5S297 A301 L302S297-S299 VanDerWaalsContact C-N 3.33Å; S297-S299 PolarHBondContact O-N 2.88Å; S299-A301 VanDerWaalsContact C-N 3.34Å; S299-L302 PolarHBondContact O-N 2.64Å
300E98.1Very high95.9Very high116 Ų11644.4 Ų44.454%0.54225%0.246SC..Hα-helixtrans-68.8-35.1176.7-69163.6140.100111.9I296 S297 A303 H304I296-E300 HydrophobicContact CD1-CB 4.03Å; I296-E300 HydrophobicContact CG1-CB 3.47Å; I296-E300 VanDerWaalsContact CG1-CB 3.47Å; S297-E300 WeakPolarHBondContact CB-OE2 3.21Å; S297-E300 PolarHBondContact N-OE2 2.88Å; S297-E300 PolarHBondContact O-N 3.34Å; S297-E300 WeakPolarHBondContact OG-CB 3.08Å; S297-E300 VanDerWaalsContact OG-CD 3.24Å; S297-E300 VanDerWaalsContact OG-CG 3.24Å; S297-E300 WeakPolarHBondContact OG-CG 3.38Å; S297-E300 PolarHBondContact OG-N 3.41Å; S297-E300 PolarHBondContact OG-OE2 3.07Å; E300-A303 PolarHBondContact O-N 2.88Å; E300-H304 PolarHBondContact O-N 2.93Å
301A98.5Very high96Very high0 Ų046.1 Ų46.10%025%0.253CS..Hα-helixtrans-67.3-36.1178.100000112.1L134 L283 M287 I296 S297 A298 S299 A303 H304 F307L134-A301 HydrophobicContact CD1-CB 3.74Å; L134-A301 HydrophobicContact CD2-CB 4Å; L134-A301 HydrophobicContact CG-CB 4.49Å; L283-A301 HydrophobicContact CD1-CB 4.23Å; M287-A301 HydrophobicContact CE-CB 4.2Å; I296-A301 HydrophobicContact CD1-CB 3.97Å; I296-A301 HydrophobicContact CG1-CB 4.17Å; I296-A301 HydrophobicContact CG2-CB 4.29Å; S297-A301 VanDerWaalsContact O-CB 3.23Å; S297-A301 WeakPolarHBondContact O-CB 3.28Å; S297-A301 PolarHBondContact O-N 3.38Å; A298-A301 PolarHBondContact O-N 3.42Å; S299-A301 VanDerWaalsContact C-N 3.34Å; A301-A303 VanDerWaalsContact C-N 3.3Å; A301-A303 PolarHBondContact O-N 2.96Å; A301-H304 WeakPolarHBondContact O-CB 3.42Å; A301-H304 PolarHBondContact O-N 3.24Å; A301-H304 VanDerWaalsContact O-N 3.09Å; A301-F307 WeakPolarHBondContact O-CD2 3.48Å; A301-F307 VanDerWaalsContact O-CE2 3.26Å; A301-F307 WeakPolarHBondContact O-CE2 3.35Å
302L98.4Very high96.3Very high0 Ų049.1 Ų49.10%027%0.269CS..Hα-helixtrans-61.9-37.7175-75.4162.1000112.3Y131 L134 R135 K138 A298 S299 H304 H311 E316Y131-L302 HydrophobicContact CD2-CD2 3.6Å; Y131-L302 HydrophobicContact CE2-CD2 3.58Å; L134-L302 HydrophobicContact CB-CD2 3.8Å; L134-L302 HydrophobicContact CB-CG 3.97Å; R135-L302 HydrophobicContact CB-CD2 4.21Å; K138-L302 HydrophobicContact CB-CD1 4Å; K138-L302 HydrophobicContact CD-CD1 3.71Å; K138-L302 HydrophobicContact CG-CD1 4.43Å; A298-L302 WeakPolarHBondContact O-CG 3.37Å; A298-L302 PolarHBondContact O-N 3.03Å; S299-L302 PolarHBondContact O-N 2.64Å; L302-H304 PolarHBondContact O-N 2.97Å; L302-H311 PolarHBondContact O-ND1 3.1Å; L302-E316 HydrophobicContact CD1-CG 4.38Å
303A98.1Very high96.5Very high61 Ų6152.8 Ų52.850%0.50429%0.293SS..THydrogen-bonded Turntrans-75.80.1175.400000114.1E300 A301E300-A303 PolarHBondContact O-N 2.88Å; A301-A303 VanDerWaalsContact C-N 3.3Å; A301-A303 PolarHBondContact O-N 2.96Å
304H98.7Very high96.7Very high11 Ų1155.8 Ų55.85%0.05131%0.309CS..SBendtrans-67.7142.4-179.2-171.7-94.8000111.3L279 D282 L283 E300 A301 L302 Y306 F307L279-H304 PolarHBondContact O-CE1 3.23Å; L279-H304 VanDerWaalsContact O-CE1 3.29Å; D282-H304 IonicContact OD2-NE2 3.83Å; D282-H304 PolarHBondContact OD2-NE2 3.08Å; D282-H304 VanDerWaalsContact OD2-NE2 3.13Å; L283-H304 HydrophobicContact CD1-CB 4Å; E300-H304 PolarHBondContact O-N 2.93Å; A301-H304 WeakPolarHBondContact O-CB 3.42Å; A301-H304 PolarHBondContact O-N 3.24Å; A301-H304 VanDerWaalsContact O-N 3.09Å; L302-H304 PolarHBondContact O-N 2.97Å; H304-Y306 WeakPolarHBondContact ND1-CB 3.49Å; H304-Y306 PolarHBondContact ND1-N 2.79Å; H304-Y306 VanDerWaalsContact ND1-N 3.13Å; H304-Y306 PolarHBondContact O-N 2.88Å; H304-F307 HydrophobicContact CB-CD2 4.4Å; H304-F307 PolarHBondContact O-N 3.41Å
305P98.4Very high96.8Very high75 Ų7552.7 Ų52.749%0.48730%0.297SS..G310 helixtrans-56.5-23.4-178.9-28.135.5000115.1L279 F307 S308L279-P305 HydrophobicContact CD1-CB 4.35Å; L279-P305 HydrophobicContact CD2-CB 4.29Å; P305-F307 PolarHBondContact O-N 3.38Å; P305-S308 WeakPolarHBondContact O-CB 3.25Å; P305-S308 PolarHBondContact O-N 3.28Å; P305-S308 PolarHBondContact O-OG 3.18Å
306Y98.6Very high96.9Very high1 Ų152.9 Ų52.90%0.00430%0.298CS..G310 helixtrans-59.7-20.3172.6-171.4-122.6000112.8D123 Q127 M212 N277 L279 A280 L283 H304D123-Y306 PolarHBondContact O-OH 3.24Å; D123-Y306 WeakPolarHBondContact OD1-CE2 3.36Å; D123-Y306 PolarHBondContact OD1-OH 3.28Å; Q127-Y306 HydrophobicContact CB-CE1 4.06Å; Q127-Y306 HydrophobicContact CB-CE2 4.41Å; Q127-Y306 VanDerWaalsContact CD-O 3.28Å; Q127-Y306 HydrophobicContact CG-CD1 4.33Å; Q127-Y306 HydrophobicContact CG-CE1 4.06Å; Q127-Y306 HydrophobicContact CG-CE2 4.28Å; Q127-Y306 WeakPolarHBondContact CG-O 3.43Å; Q127-Y306 PolarHBondContact NE2-O 2.97Å; M212-Y306 HydrophobicContact CE-CD1 3.99Å; M212-Y306 HydrophobicContact CE-CE1 3.55Å; N277-Y306 HydrophobicContact CB-CE2 4.29Å; L279-Y306 HydrophobicContact CB-CD2 3.85Å; L279-Y306 HydrophobicContact CB-CG 4.35Å; A280-Y306 HydrophobicContact CB-CD2 4.09Å; A280-Y306 HydrophobicContact CB-CE1 4.2Å; A280-Y306 HydrophobicContact CB-CE2 3.58Å; L283-Y306 HydrophobicContact CD2-CD1 3.81Å; H304-Y306 WeakPolarHBondContact ND1-CB 3.49Å; H304-Y306 PolarHBondContact ND1-N 2.79Å; H304-Y306 VanDerWaalsContact ND1-N 3.13Å; H304-Y306 PolarHBondContact O-N 2.88Å
307F98.4Very high96.8Very high0 Ų054.8 Ų54.80%031%0.312CS..G310 helixtrans-110.815.4177.5-54.2-60.5000113.9Q127 I130 Y131 L134 L283 A301 H304 P305 Q309 Y310 H311Q127-F307 HydrophobicContact CG-CD1 3.97Å; Q127-F307 HydrophobicContact CG-CE1 4.36Å; Q127-F307 WeakPolarHBondContact O-CE1 3.22Å; I130-F307 HydrophobicContact CB-CE1 4.22Å; I130-F307 HydrophobicContact CB-CZ 4.21Å; I130-F307 HydrophobicContact CG2-CE1 4.18Å; I130-F307 HydrophobicContact CG2-CZ 3.66Å; Y131-F307 HydrophobicContact CD2-CB 4.09Å; Y131-F307 HydrophobicContact CD2-CD1 4.42Å; Y131-F307 HydrophobicContact CD2-CG 4.22Å; L134-F307 HydrophobicContact CD1-CD2 4.45Å; L134-F307 HydrophobicContact CD1-CE2 3.47Å; L134-F307 VanDerWaalsContact CD1-CE2 3.47Å; L134-F307 HydrophobicContact CD1-CZ 3.7Å; L283-F307 HydrophobicContact CD2-CE1 4.45Å; L283-F307 HydrophobicContact CD2-CE2 3.4Å; L283-F307 HydrophobicContact CD2-CZ 3.34Å; A301-F307 WeakPolarHBondContact O-CD2 3.48Å; A301-F307 VanDerWaalsContact O-CE2 3.26Å; A301-F307 WeakPolarHBondContact O-CE2 3.35Å; H304-F307 HydrophobicContact CB-CD2 4.4Å; H304-F307 PolarHBondContact O-N 3.41Å; P305-F307 PolarHBondContact O-N 3.38Å; F307-Q309 PolarHBondContact O-N 3.23Å; F307-Y310 PolarHBondContact O-N 3.03Å; F307-H311 HydrophobicContact CB-CB 4.5Å; F307-H311 WeakPolarHBondContact O-CB 3.43Å; F307-H311 PolarHBondContact O-N 3.4Å
308S96.2Very high96.8Very high90 Ų9060 Ų6063%0.62933%0.334SS*.THydrogen-bonded Turntrans-53.2-21.6-175.949.80000116.1P305P305-S308 WeakPolarHBondContact O-CB 3.25Å; P305-S308 PolarHBondContact O-N 3.28Å; P305-S308 PolarHBondContact O-OG 3.18Å
309Q95Very high96.7Very high138 Ų13860.3 Ų60.365%0.64534%0.337SS*.THydrogen-bonded Turntrans-84-21.8176.9-61.7-178.913.600113.9F307F307-Q309 PolarHBondContact O-N 3.23Å
310Y94.8Very high96.5Very high53 Ų5361.5 Ų61.521%0.20834%0.343CS..THydrogen-bonded Turntrans-116.8-26.2-173.1-55.4-62.4000113.4E124 Q127 F128 Y131 F307 D312E124-Y310 WeakPolarHBondContact CG-OH 3.33Å; Q127-Y310 HydrophobicContact CB-CE2 4.06Å; Q127-Y310 HydrophobicContact CG-CD2 3.99Å; Q127-Y310 HydrophobicContact CG-CE2 3.64Å; F128-Y310 HydrophobicContact CB-CE2 4.12Å; F128-Y310 AromaticContact CD2-CD1 3.92Å; F128-Y310 HydrophobicContact CD2-CD1 3.92Å; F128-Y310 AromaticContact CD2-CE1 3.77Å; F128-Y310 HydrophobicContact CD2-CE1 3.77Å; F128-Y310 HydrophobicContact CD2-CE2 4.42Å; F128-Y310 HydrophobicContact CD2-CG 4.33Å; F128-Y310 HydrophobicContact CE2-CD1 4.39Å; F128-Y310 HydrophobicContact CE2-CE1 4.43Å; F128-Y310 HydrophobicContact CG-CE1 4.47Å; Y131-Y310 HydrophobicContact CD1-CG 4.43Å; Y131-Y310 VanDerWaalsContact CZ-O 3.27Å; Y131-Y310 PolarHBondContact OH-O 2.84Å; Y131-Y310 VanDerWaalsContact OH-O 3.05Å; F307-Y310 PolarHBondContact O-N 3.03Å; Y310-D312 PolarHBondContact O-N 2.98Å
311H95Very high96.2Very high65 Ų6561.3 Ų61.330%0.30135%0.351SS..  trans-59.6118-176.9177.952.4000111.1L302 F307 E316L302-H311 PolarHBondContact O-ND1 3.1Å; F307-H311 HydrophobicContact CB-CB 4.5Å; F307-H311 WeakPolarHBondContact O-CB 3.43Å; F307-H311 PolarHBondContact O-N 3.4Å; H311-E316 IonicContact CE1-OE1 3.63Å; H311-E316 PolarHBondContact CE1-OE1 3.46Å; H311-E316 IonicContact CE1-OE2 2.74Å; H311-E316 IonicContact CG-OE1 2.71Å; H311-E316 IonicContact ND1-OE1 3.72Å; H311-E316 PolarHBondContact ND1-OE1 2.94Å; H311-E316 IonicContact ND1-OE2 3.43Å
312D95.1Very high95.8Very high74 Ų7461.7 Ų61.740%0.39635%0.353SS..  trans-136101.7173.8-174.9-9.5000108.9Y310 D314 D315 E316Y310-D312 PolarHBondContact O-N 2.98Å; D312-D314 PolarHBondContact O-N 3.25Å; D312-D314 VanDerWaalsContact O-N 3.16Å; D312-D314 PolarHBondContact OD1-N 2.97Å; D312-D314 VanDerWaalsContact OD1-N 3.08Å; D312-D315 HydrophobicContact CB-CB 4.13Å; D312-D315 CarbonylContact O-C 3.47Å; D312-D315 PolarHBondContact O-N 2.8Å; D312-E316 VanDerWaalsContact O-CG 3.28Å; D312-E316 WeakPolarHBondContact O-CG 3.18Å; D312-E316 PolarHBondContact O-N 3.32Å
313P93.8Very high95.3Very high81 Ų8165.5 Ų65.553%0.52637%0.374SS..G310 helixtrans-56.3-30.1-179.4-25.333.2000114.4D315P313-D315 VanDerWaalsContact C-N 3.31Å
314D94.2Very high94.4Very high163 Ų16363.4 Ų63.487%0.87235%0.353SS*.G310 helixtrans-78.6-20.2-178.8-68.9-34.2000111.8D312D312-D314 PolarHBondContact O-N 3.25Å; D312-D314 VanDerWaalsContact O-N 3.16Å; D312-D314 PolarHBondContact OD1-N 2.97Å; D312-D314 VanDerWaalsContact OD1-N 3.08Å
315D94.8Very high93.7Very high78 Ų7866.8 Ų66.842%0.41738%0.375SS..G310 helixtrans-106.824.4174.6-169.332.7000112.5R135 D312 P313 P317R135-D315 IonicContact CZ-OD1 2.76Å; R135-D315 PolarHBondContact NE-O 3.44Å; R135-D315 VanDerWaalsContact NH2-CG 3.34Å; R135-D315 PolarHBondContact NH2-O 3.41Å; R135-D315 IonicContact NH2-OD1 2.66Å; R135-D315 PolarHBondContact NH2-OD1 3.49Å; R135-D315 IonicContact NH2-OD2 2.66Å; R135-D315 PolarHBondContact NH2-OD2 2.95Å; D312-D315 HydrophobicContact CB-CB 4.13Å; D312-D315 CarbonylContact O-C 3.47Å; D312-D315 PolarHBondContact O-N 2.8Å; P313-D315 VanDerWaalsContact C-N 3.31Å; D315-P317 VanDerWaalsContact C-CD 3.47Å; D315-P317 WeakPolarHBondContact O-CD 3.22Å
316E96.9Very high92.7Very high9 Ų965.5 Ų65.54%0.04236%0.364CS..  trans-119.271.9174-72.5172-17500111R135 K138 L302 H311 D312R135-E316 HydrophobicContact CG-CG 4.28Å; K138-E316 HydrophobicContact CD-CB 4.26Å; K138-E316 WeakPolarHBondContact CE-O 3.36Å; K138-E316 VanDerWaalsContact NZ-CB 3.29Å; K138-E316 PolarHBondContact NZ-O 3.48Å; K138-E316 IonicContact NZ-OE2 3.25Å; K138-E316 PolarHBondContact NZ-OE2 2.98Å; L302-E316 HydrophobicContact CD1-CG 4.38Å; H311-E316 IonicContact CE1-OE1 3.63Å; H311-E316 PolarHBondContact CE1-OE1 3.46Å; H311-E316 IonicContact CE1-OE2 2.74Å; H311-E316 IonicContact CG-OE1 2.71Å; H311-E316 IonicContact ND1-OE1 3.72Å; H311-E316 PolarHBondContact ND1-OE1 2.94Å; H311-E316 IonicContact ND1-OE2 3.43Å; D312-E316 VanDerWaalsContact O-CG 3.28Å; D312-E316 WeakPolarHBondContact O-CG 3.18Å; D312-E316 PolarHBondContact O-N 3.32Å
317P97.4Very high91.7Very high58 Ų5865.7 Ų65.738%0.37737%0.365SS..  trans-73158.6-169.430.9-37000113.3D315D315-P317 VanDerWaalsContact C-CD 3.47Å; D315-P317 WeakPolarHBondContact O-CD 3.22Å
318E97.1Very high90.6Very high130 Ų13069.9 Ų69.961%0.60739%0.394SS*.  trans-104.8150.8171.8-69.7-175.7177.700111S142S142-E318 WeakPolarHBondContact OG-CA 3.2Å; S142-E318 WeakPolarHBondContact OG-CB 3.44Å
319A95.4Very high90Very high9 Ų971.3 Ų71.37%0.07439%0.388CS..PPolyproline II helixtrans-83.7151.8173.300000112.7Y139 S142 A143Y139-A319 HydrophobicContact CD1-CB 3.83Å; Y139-A319 HydrophobicContact CD2-CB 3.92Å; Y139-A319 HydrophobicContact CE1-CB 3.5Å; Y139-A319 HydrophobicContact CE2-CB 3.62Å; Y139-A319 HydrophobicContact CG-CB 4.02Å; Y139-A319 WeakPolarHBondContact O-CB 3.49Å; S142-A319 PolarHBondContact OG-N 3.19Å; S142-A319 PolarHBondContact OG-O 2.88Å; A143-A319 HydrophobicContact CB-CB 3.76Å
320P94.1Very high89.5Confident79 Ų7972.4 Ų72.451%0.51340%0.399SS..PPolyproline II helixtrans-63.5152162.728.2-33000110.8H76 Y322H76-P320 PolarHBondContact CE1-O 3.38Å; H76-P320 VanDerWaalsContact CE1-O 3.3Å; H76-P320 PolarHBondContact NE2-O 3.06Å; P320-Y322 PolarHBondContact O-N 3.41Å
321P91.5Very high89.4Confident112 Ų11272.3 Ų72.373%0.72740%0.398SS*.PPolyproline II helixtrans-55.4139.6176.7-25.534.2000112.3H76H76-P321 PolarHBondContact CE1-O 2.91Å
322Y90.2Very high89.3Confident8 Ų872.4 Ų72.43%0.03140%0.404CS..PPolyproline II helixtrans-90.3120.4177.9178.2-107000111.6R72 L73 H76 A143 L145 P320 Q324 E327R72-Y322 HydrophobicContact CB-CE2 4.2Å; R72-Y322 WeakPolarHBondContact CB-OH 3.36Å; L73-Y322 HydrophobicContact CD2-CD1 3.94Å; L73-Y322 HydrophobicContact CD2-CD2 4.11Å; L73-Y322 HydrophobicContact CD2-CE1 3.61Å; L73-Y322 HydrophobicContact CD2-CE2 3.84Å; L73-Y322 HydrophobicContact CD2-CG 4.17Å; L73-Y322 HydrophobicContact CG-CE1 4.34Å; L73-Y322 HydrophobicContact CG-CE2 4.46Å; H76-Y322 HydrophobicContact CB-CD2 3.88Å; H76-Y322 HydrophobicContact CB-CE2 4.17Å; H76-Y322 AromaticContact CD2-CD2 3.98Å; H76-Y322 AromaticContact CG-CD2 3.63Å; H76-Y322 AromaticContact ND1-CD2 3.78Å; A143-Y322 PolarHBondContact O-N 2.91Å; L145-Y322 HydrophobicContact CD1-CD1 4.2Å; L145-Y322 HydrophobicContact CD1-CG 4.05Å; L145-Y322 HydrophobicContact CD2-CD1 3.71Å; L145-Y322 HydrophobicContact CD2-CE1 4.3Å; L145-Y322 HydrophobicContact CD2-CG 4.36Å; L145-Y322 HydrophobicContact CG-CD1 4.27Å; L145-Y322 HydrophobicContact CG-CG 4.46Å; P320-Y322 PolarHBondContact O-N 3.41Å; Y322-Q324 HydrophobicContact CD1-CG 3.36Å; Y322-Q324 VanDerWaalsContact CD1-NE2 3.31Å; Y322-Q324 HydrophobicContact CE1-CG 3.22Å; Y322-Q324 PolarHBondContact O-N 3.26Å; Y322-E327 VanDerWaalsContact CE1-OE1 3.24Å; Y322-E327 WeakPolarHBondContact CE1-OE1 3.22Å; Y322-E327 VanDerWaalsContact CZ-OE1 3.28Å; Y322-E327 PolarHBondContact OH-OE1 3.39Å
323D87.8Confident89.1Confident81 Ų8171 Ų7143%0.43340%0.396SS..  trans-80.4111.4179178.915.1000112.1R72 T325R72-D323 PolarHBondContact NH2-O 2.96Å; D323-T325 VanDerWaalsContact OD1-CB 3.26Å; D323-T325 WeakPolarHBondContact OD1-CB 3.44Å; D323-T325 WeakPolarHBondContact OD1-CG2 3.43Å; D323-T325 PolarHBondContact OD1-N 2.97Å; D323-T325 PolarHBondContact OD1-OG1 2.64Å; D323-T325 PolarHBondContact OD2-OG1 2.78Å
324Q79.8Confident89.1Confident17 Ų1772.7 Ų72.78%0.07940%0.396CS..  trans-102.86.4176.8-72.5-176.7900113.9Q173 Y322 L326 E327 S328Q173-Q324 VanDerWaalsContact CG-OE1 3.26Å; Y322-Q324 HydrophobicContact CD1-CG 3.36Å; Y322-Q324 VanDerWaalsContact CD1-NE2 3.31Å; Y322-Q324 HydrophobicContact CE1-CG 3.22Å; Y322-Q324 PolarHBondContact O-N 3.26Å; Q324-L326 PolarHBondContact O-N 3.38Å; Q324-L326 VanDerWaalsContact O-N 3.08Å; Q324-E327 HydrophobicContact CB-CB 4.38Å; Q324-E327 WeakPolarHBondContact O-CA 3.24Å; Q324-E327 WeakPolarHBondContact O-CB 3.49Å; Q324-E327 PolarHBondContact O-N 2.6Å; Q324-S328 PolarHBondContact O-N 2.76Å
325T83.1Confident89.1Confident81 Ų8168.7 Ų68.750%0.49737%0.373SS..THydrogen-bonded Turntrans-58.7-27.7-176.456.90000113.3D323 S328D323-T325 VanDerWaalsContact OD1-CB 3.26Å; D323-T325 WeakPolarHBondContact OD1-CB 3.44Å; D323-T325 WeakPolarHBondContact OD1-CG2 3.43Å; D323-T325 PolarHBondContact OD1-N 2.97Å; D323-T325 PolarHBondContact OD1-OG1 2.64Å; D323-T325 PolarHBondContact OD2-OG1 2.78Å; T325-S328 PolarHBondContact O-OG 2.69Å
326L78Confident89.1Confident49 Ų4965.3 Ų65.326%0.25735%0.354SS..THydrogen-bonded Turntrans-76.9-27.9174.8-63.9174.8000112.7Y68 Q324 R331 W336Y68-L326 WeakPolarHBondContact OH-CD1 3.42Å; Q324-L326 PolarHBondContact O-N 3.38Å; Q324-L326 VanDerWaalsContact O-N 3.08Å; L326-R331 VanDerWaalsContact CD2-NH2 3.31Å; L326-R331 PolarHBondContact O-NE 3.08Å; L326-R331 VanDerWaalsContact O-NE 3.1Å; L326-R331 PolarHBondContact O-NH2 3.17Å; L326-W336 WeakPolarHBondContact O-CH2 3.48Å
327E76.8Confident89Confident5 Ų566.3 Ų66.32%0.02336%0.358CS..THydrogen-bonded Turntrans-77.8-29.7-179.5-66.9-173.1-133.300113.8R65 Y68 R69 Y322 Q324 K329R65-E327 PolarHBondContact NE-O 2.93Å; R65-E327 PolarHBondContact NH2-O 2.99Å; Y68-E327 HydrophobicContact CD1-CG 4.15Å; Y68-E327 HydrophobicContact CE1-CG 3.96Å; R69-E327 WeakPolarHBondContact CD-OE2 3.39Å; R69-E327 VanDerWaalsContact CG-OE2 3.31Å; R69-E327 WeakPolarHBondContact CG-OE2 3.43Å; Y322-E327 VanDerWaalsContact CE1-OE1 3.24Å; Y322-E327 WeakPolarHBondContact CE1-OE1 3.22Å; Y322-E327 VanDerWaalsContact CZ-OE1 3.28Å; Y322-E327 PolarHBondContact OH-OE1 3.39Å; Q324-E327 HydrophobicContact CB-CB 4.38Å; Q324-E327 WeakPolarHBondContact O-CA 3.24Å; Q324-E327 WeakPolarHBondContact O-CB 3.49Å; Q324-E327 PolarHBondContact O-N 2.6Å; E327-K329 VanDerWaalsContact C-N 3.31Å
328S75.5Confident88.9Confident88 Ų8867.7 Ų67.762%0.61536%0.36SS*.SBendtrans-80.8-9.1-178.1590000114.1Q324 T325Q324-S328 PolarHBondContact O-N 2.76Å; T325-S328 PolarHBondContact O-OG 2.69Å
329K83Confident88.8Confident119 Ų11962.4 Ų62.452%0.51734%0.336SS..SBendtrans-82.8133.7177.1-65.7-178.7-176.5-178.60110.7E327 R331E327-K329 VanDerWaalsContact C-N 3.31Å; K329-R331 HydrophobicContact CB-CG 4.42Å; K329-R331 PolarHBondContact O-N 3.34Å
330D85.9Confident88.7Confident162 Ų16262 Ų6287%0.86633%0.332SS*.  trans-63.1130.5165.1-72.2-32.3000109.2
331R91.2Very high88.8Confident51 Ų5160.2 Ų60.219%0.19232%0.316CS..  trans-142.6152.4-174.8-70177.1-171.1-91.54.8110.8L61 L326 K329 E335 W336L61-R331 WeakPolarHBondContact CD2-O 3.42Å; L326-R331 VanDerWaalsContact CD2-NH2 3.31Å; L326-R331 PolarHBondContact O-NE 3.08Å; L326-R331 VanDerWaalsContact O-NE 3.1Å; L326-R331 PolarHBondContact O-NH2 3.17Å; K329-R331 HydrophobicContact CB-CG 4.42Å; K329-R331 PolarHBondContact O-N 3.34Å; R331-E335 WeakPolarHBondContact CA-OE2 3.33Å; R331-E335 HydrophobicContact CB-CB 4.08Å; R331-E335 WeakPolarHBondContact CB-OE2 3.33Å; R331-E335 HydrophobicContact CG-CB 4.46Å; R331-W336 HydrophobicContact CB-CD2 4.39Å; R331-W336 HydrophobicContact CB-CG 4.45Å; R331-W336 HydrophobicContact CB-CZ2 4.16Å; R331-W336 HydrophobicContact CG-CZ2 4.27Å
332T93.7Very high88.9Confident67 Ų6760.5 Ų60.541%0.41131%0.308SS..  trans-73.6170.8170.970.90000111.1E334 E335 W336T332-E334 VanDerWaalsContact C-N 3.32Å; T332-E335 PolarHBondContact N-OE2 2.8Å; T332-E335 VanDerWaalsContact OG1-CG 3.27Å; T332-E335 WeakPolarHBondContact OG1-CG 3.33Å; T332-E335 PolarHBondContact OG1-N 2.95Å; T332-W336 PolarHBondContact O-N 3.17Å; T332-W336 VanDerWaalsContact O-N 3.17Å
333L91.7Very high89.1Confident44 Ų4461.4 Ų61.423%0.2331%0.313CS..Hα-helixtrans-67.8-39.4179-171.9150.1000110.5F58 L61 W336 K337F58-L333 HydrophobicContact CB-CD2 4.32Å; F58-L333 WeakPolarHBondContact O-CD1 3.39Å; L61-L333 HydrophobicContact CD2-CB 3.99Å; L61-L333 VanDerWaalsContact CD2-N 3.33Å; L333-W336 PolarHBondContact O-N 3.43Å; L333-K337 WeakPolarHBondContact O-CB 3.26Å; L333-K337 PolarHBondContact O-N 3.05Å
334E92.8Very high89.4Confident116 Ų11658.4 Ų58.454%0.54230%0.297SS..Hα-helixtrans-62.5-45.8177.2-66.768.6-152.500110.9T332 W336 K337 E338T332-E334 VanDerWaalsContact C-N 3.32Å; E334-W336 PolarHBondContact O-N 2.88Å; E334-K337 WeakPolarHBondContact O-CB 3.32Å; E334-K337 PolarHBondContact O-N 2.95Å; E334-K337 VanDerWaalsContact O-N 3.12Å; E334-E338 WeakPolarHBondContact O-CG 3.48Å; E334-E338 PolarHBondContact O-N 3.38Å
335E94.4Very high89.9Confident79 Ų7961.5 Ų61.537%0.36932%0.321SS..Hα-helixtrans-62.7-39.6176.7-73171.5157.900112.2R331 T332 K337 L339R331-E335 WeakPolarHBondContact CA-OE2 3.33Å; R331-E335 HydrophobicContact CB-CB 4.08Å; R331-E335 WeakPolarHBondContact CB-OE2 3.33Å; R331-E335 HydrophobicContact CG-CB 4.46Å; T332-E335 PolarHBondContact N-OE2 2.8Å; T332-E335 VanDerWaalsContact OG1-CG 3.27Å; T332-E335 WeakPolarHBondContact OG1-CG 3.33Å; T332-E335 PolarHBondContact OG1-N 2.95Å; E335-K337 VanDerWaalsContact C-N 3.35Å; E335-L339 WeakPolarHBondContact O-CG 3.36Å; E335-L339 PolarHBondContact O-N 2.84Å; E335-L339 VanDerWaalsContact O-N 3.08Å
336W94.6Very high90.3Very high7 Ų761 Ų613%0.02732%0.321CS..Hα-helixtrans-63.7-42.8173-80.7118.6000111.9R65 Y68 L326 R331 T332 L333 E334 E338 L339 V340R65-W336 HydrophobicContact CB-CD2 4.24Å; R65-W336 HydrophobicContact CB-CZ2 4.07Å; R65-W336 HydrophobicContact CG-CH2 4.17Å; R65-W336 HydrophobicContact CG-CZ2 3.78Å; Y68-W336 HydrophobicContact CD1-CE3 4.01Å; Y68-W336 HydrophobicContact CD1-CH2 4.36Å; Y68-W336 AromaticContact CD1-CZ3 3.4Å; Y68-W336 HydrophobicContact CD1-CZ3 3.4Å; Y68-W336 VanDerWaalsContact CD1-CZ3 3.4Å; Y68-W336 AromaticContact CE1-CZ3 3.88Å; Y68-W336 HydrophobicContact CE1-CZ3 3.88Å; Y68-W336 AromaticContact CG-CE3 3.87Å; Y68-W336 HydrophobicContact CG-CE3 3.87Å; Y68-W336 AromaticContact CG-CZ3 3.75Å; Y68-W336 HydrophobicContact CG-CZ3 3.75Å; L326-W336 WeakPolarHBondContact O-CH2 3.48Å; R331-W336 HydrophobicContact CB-CD2 4.39Å; R331-W336 HydrophobicContact CB-CG 4.45Å; R331-W336 HydrophobicContact CB-CZ2 4.16Å; R331-W336 HydrophobicContact CG-CZ2 4.27Å; T332-W336 PolarHBondContact O-N 3.17Å; T332-W336 VanDerWaalsContact O-N 3.17Å; L333-W336 PolarHBondContact O-N 3.43Å; E334-W336 PolarHBondContact O-N 2.88Å; W336-E338 VanDerWaalsContact C-N 3.35Å; W336-L339 HydrophobicContact CE3-CD1 3.95Å; W336-L339 HydrophobicContact CZ3-CD1 3.82Å; W336-L339 PolarHBondContact O-N 3.12Å; W336-V340 WeakPolarHBondContact O-CG2 3.48Å; W336-V340 PolarHBondContact O-N 3.36Å
337K94.8Very high91Very high30 Ų3060.6 Ų60.613%0.1332%0.317CS..Hα-helixtrans-64.7-40.2-179.9-178.3174.6157169.40111.3F58 L95 E96 F98 L333 E334 E335 V340 F341F58-K337 HydrophobicContact CD1-CB 4.08Å; F58-K337 HydrophobicContact CD1-CG 4.18Å; F58-K337 HydrophobicContact CD2-CD 4.21Å; F58-K337 HydrophobicContact CD2-CG 4.26Å; F58-K337 HydrophobicContact CE1-CB 4.32Å; F58-K337 HydrophobicContact CE1-CG 4.29Å; F58-K337 HydrophobicContact CE2-CG 4.35Å; F58-K337 HydrophobicContact CG-CB 4.44Å; F58-K337 HydrophobicContact CG-CD 4.22Å; F58-K337 HydrophobicContact CG-CG 4.19Å; F58-K337 HydrophobicContact CZ-CG 4.39Å; L95-K337 HydrophobicContact CD1-CG 4.07Å; L95-K337 WeakPolarHBondContact O-CE 3.41Å; L95-K337 PolarHBondContact O-NZ 3.34Å; L95-K337 VanDerWaalsContact O-NZ 3.15Å; E96-K337 PolarHBondContact O-NZ 3.44Å; F98-K337 HydrophobicContact CD1-CD 4.46Å; F98-K337 HydrophobicContact CD1-CG 3.67Å; F98-K337 HydrophobicContact CE1-CG 4.24Å; F98-K337 WeakPolarHBondContact O-CE 3.41Å; F98-K337 PolarHBondContact O-NZ 3.01Å; L333-K337 WeakPolarHBondContact O-CB 3.26Å; L333-K337 PolarHBondContact O-N 3.05Å; E334-K337 WeakPolarHBondContact O-CB 3.32Å; E334-K337 PolarHBondContact O-N 2.95Å; E334-K337 VanDerWaalsContact O-N 3.12Å; E335-K337 VanDerWaalsContact C-N 3.35Å; K337-V340 PolarHBondContact O-N 3.42Å; K337-F341 WeakPolarHBondContact O-CB 3.11Å; K337-F341 PolarHBondContact O-N 3.49Å
338E94.9Very high91.3Very high87 Ų8768.9 Ų68.941%0.40735%0.353SS..Hα-helixtrans-57.6-52.8171.9-78.3171.8-173.100111.6L95 E334 W336 V340 F341 E342L95-E338 HydrophobicContact CD1-CG 4.07Å; L95-E338 HydrophobicContact CD2-CG 3.42Å; L95-E338 VanDerWaalsContact CD2-CG 3.42Å; L95-E338 HydrophobicContact CG-CG 4.36Å; E334-E338 WeakPolarHBondContact O-CG 3.48Å; E334-E338 PolarHBondContact O-N 3.38Å; W336-E338 VanDerWaalsContact C-N 3.35Å; E338-V340 VanDerWaalsContact C-N 3.32Å; E338-V340 PolarHBondContact O-N 3.08Å; E338-F341 WeakPolarHBondContact O-CB 3.27Å; E338-F341 PolarHBondContact O-N 2.93Å; E338-E342 WeakPolarHBondContact O-CG 3.39Å; E338-E342 PolarHBondContact O-N 3.1Å
339L94.9Very high91.3Very high20 Ų2066.1 Ų66.111%0.10534%0.335CS..Hα-helixtrans-58.4-43.5178.7-74.9178.7000112.6Y68 E335 W336 F341 E342 E343Y68-L339 HydrophobicContact CD2-CB 3.84Å; Y68-L339 HydrophobicContact CE2-CB 3.67Å; Y68-L339 HydrophobicContact CE2-CD1 4.28Å; Y68-L339 HydrophobicContact CE2-CG 4.48Å; E335-L339 WeakPolarHBondContact O-CG 3.36Å; E335-L339 PolarHBondContact O-N 2.84Å; E335-L339 VanDerWaalsContact O-N 3.08Å; W336-L339 HydrophobicContact CE3-CD1 3.95Å; W336-L339 HydrophobicContact CZ3-CD1 3.82Å; W336-L339 PolarHBondContact O-N 3.12Å; L339-F341 VanDerWaalsContact C-N 3.32Å; L339-F341 PolarHBondContact O-N 2.96Å; L339-E342 PolarHBondContact O-N 3.17Å; L339-E343 WeakPolarHBondContact O-CB 3.47Å; L339-E343 VanDerWaalsContact O-CG 3.25Å; L339-E343 WeakPolarHBondContact O-CG 3.37Å; L339-E343 PolarHBondContact O-N 3.3Å
340V95Very high90.1Very high0 Ų065.3 Ų65.30%035%0.345CS..Hα-helixtrans-63.1-43176.3178.40000110.2F58 Y68 L71 F98 L101 W336 K337 E338 E342 E343 V344F58-V340 HydrophobicContact CE1-CB 4.17Å; F58-V340 HydrophobicContact CE1-CG1 4.29Å; F58-V340 HydrophobicContact CE1-CG2 4.16Å; F58-V340 HydrophobicContact CZ-CB 4.31Å; F58-V340 HydrophobicContact CZ-CG1 4.05Å; Y68-V340 HydrophobicContact CD2-CG2 3.92Å; Y68-V340 HydrophobicContact CG-CG2 4.28Å; L71-V340 HydrophobicContact CD2-CG1 4.09Å; F98-V340 HydrophobicContact CE1-CB 4.03Å; F98-V340 HydrophobicContact CE1-CG1 3.85Å; F98-V340 HydrophobicContact CZ-CB 4.37Å; F98-V340 HydrophobicContact CZ-CG1 3.68Å; L101-V340 HydrophobicContact CD2-CG1 3.74Å; W336-V340 WeakPolarHBondContact O-CG2 3.48Å; W336-V340 PolarHBondContact O-N 3.36Å; K337-V340 PolarHBondContact O-N 3.42Å; E338-V340 VanDerWaalsContact C-N 3.32Å; E338-V340 PolarHBondContact O-N 3.08Å; V340-E342 VanDerWaalsContact C-N 3.33Å; V340-E342 PolarHBondContact O-N 3.01Å; V340-E343 PolarHBondContact O-N 3.3Å; V340-V344 HydrophobicContact CG1-CG2 4.39Å; V340-V344 WeakPolarHBondContact O-CG2 3.33Å; V340-V344 PolarHBondContact O-N 2.98Å
341F94.9Very high88.4Confident41 Ų4161 Ų6118%0.1834%0.339CS..Hα-helixtrans-62.6-39.4179.2-169.3-100.6000112.4T90 L95 F98 K337 E338 L339 V344 S345T90-F341 HydrophobicContact CG2-CE2 4.39Å; L95-F341 HydrophobicContact CD1-CB 3.82Å; L95-F341 HydrophobicContact CD1-CD1 4.43Å; L95-F341 HydrophobicContact CD1-CG 4.05Å; F98-F341 HydrophobicContact CB-CD2 3.89Å; F98-F341 HydrophobicContact CB-CE2 4.24Å; F98-F341 HydrophobicContact CD1-CB 3.81Å; F98-F341 AromaticContact CD1-CD2 3.71Å; F98-F341 HydrophobicContact CD1-CD2 3.71Å; F98-F341 HydrophobicContact CD1-CG 4.21Å; F98-F341 HydrophobicContact CD2-CD2 4.07Å; F98-F341 HydrophobicContact CE1-CB 3.86Å; F98-F341 HydrophobicContact CE1-CD2 4.19Å; F98-F341 AromaticContact CG-CD2 3.63Å; F98-F341 HydrophobicContact CG-CD2 3.63Å; F98-F341 HydrophobicContact CG-CE2 4.33Å; K337-F341 WeakPolarHBondContact O-CB 3.11Å; K337-F341 PolarHBondContact O-N 3.49Å; E338-F341 WeakPolarHBondContact O-CB 3.27Å; E338-F341 PolarHBondContact O-N 2.93Å; L339-F341 VanDerWaalsContact C-N 3.32Å; L339-F341 PolarHBondContact O-N 2.96Å; F341-V344 PolarHBondContact O-N 3.13Å; F341-S345 WeakPolarHBondContact O-CB 2.89Å; F341-S345 PolarHBondContact O-N 3.01Å; F341-S345 PolarHBondContact O-OG 2.8Å
342E93.9Very high85.8Confident118 Ų11862.3 Ų62.355%0.55136%0.355SS*.Hα-helixtrans-64.7-43.4173.4-71.1178.617200112.1E338 L339 V340 V344 S345 S346E338-E342 WeakPolarHBondContact O-CG 3.39Å; E338-E342 PolarHBondContact O-N 3.1Å; L339-E342 PolarHBondContact O-N 3.17Å; V340-E342 VanDerWaalsContact C-N 3.33Å; V340-E342 PolarHBondContact O-N 3.01Å; E342-V344 VanDerWaalsContact C-N 3.3Å; E342-V344 PolarHBondContact O-N 2.92Å; E342-S345 PolarHBondContact O-N 3.34Å; E342-S346 VanDerWaalsContact O-CB 3.28Å; E342-S346 WeakPolarHBondContact O-CB 3.38Å; E342-S346 PolarHBondContact O-N 2.8Å; E342-S346 PolarHBondContact O-OG 2.74Å
343E93.6Very high82.9Confident28 Ų2868.8 Ų68.813%0.13138%0.378CS..Hα-helixtrans-63.6-35.2177.4-73.3-66.5166.200112.7Y68 L71 R72 K75 L339 V340 S346 F347Y68-E343 HydrophobicContact CD2-CG 4.33Å; Y68-E343 HydrophobicContact CE2-CG 3.7Å; L71-E343 HydrophobicContact CD2-CB 3.58Å; L71-E343 HydrophobicContact CG-CB 4.32Å; R72-E343 WeakPolarHBondContact CD-OE1 3.42Å; R72-E343 IonicContact CZ-OE1 3.62Å; R72-E343 IonicContact NE-OE1 3.62Å; R72-E343 IonicContact NH1-OE1 2.71Å; R72-E343 PolarHBondContact NH1-OE1 3.35Å; K75-E343 WeakPolarHBondContact CE-OE2 2.99Å; K75-E343 PolarHBondContact NZ-O 3.4Å; K75-E343 IonicContact NZ-OE2 3.39Å; K75-E343 PolarHBondContact NZ-OE2 2.86Å; L339-E343 WeakPolarHBondContact O-CB 3.47Å; L339-E343 VanDerWaalsContact O-CG 3.25Å; L339-E343 WeakPolarHBondContact O-CG 3.37Å; L339-E343 PolarHBondContact O-N 3.3Å; V340-E343 PolarHBondContact O-N 3.3Å; E343-S346 PolarHBondContact O-OG 2.78Å; E343-F347 PolarHBondContact O-N 3.06Å
344V94.5Very high80.2Confident17 Ų1772.2 Ų72.210%0.10340%0.401CS..Hα-helixtrans-69.1-48.4173.2175.40000110.3L71 V88 T90 L101 V340 F341 E342 S346 F347L71-V344 HydrophobicContact CD2-CG2 4Å; V88-V344 HydrophobicContact CG2-CG1 4.35Å; V88-V344 HydrophobicContact CG2-CG2 3.77Å; T90-V344 HydrophobicContact CG2-CG1 4.31Å; L101-V344 HydrophobicContact CD1-CG2 3.47Å; L101-V344 VanDerWaalsContact CD1-CG2 3.47Å; V340-V344 HydrophobicContact CG1-CG2 4.39Å; V340-V344 WeakPolarHBondContact O-CG2 3.33Å; V340-V344 PolarHBondContact O-N 2.98Å; F341-V344 PolarHBondContact O-N 3.13Å; E342-V344 VanDerWaalsContact C-N 3.3Å; E342-V344 PolarHBondContact O-N 2.92Å; V344-S346 VanDerWaalsContact C-N 3.3Å; V344-S346 PolarHBondContact O-N 3.16Å; V344-F347 WeakPolarHBondContact O-CB 3.49Å; V344-F347 PolarHBondContact O-N 3.01Å
345S90.8Very high77.3Confident83 Ų8374 Ų7458%0.5841%0.414SS*.Hα-helixtrans-67.4-30.5-176.5-58.40000113.1F341 E342F341-S345 WeakPolarHBondContact O-CB 2.89Å; F341-S345 PolarHBondContact O-N 3.01Å; F341-S345 PolarHBondContact O-OG 2.8Å; E342-S345 PolarHBondContact O-N 3.34Å
346S91.6Very high74.3Confident71 Ų7175.2 Ų75.250%0.49743%0.431SS..THydrogen-bonded Turntrans-85.7-8.1178.260.70000113.9E342 E343 V344 K348E342-S346 VanDerWaalsContact O-CB 3.28Å; E342-S346 WeakPolarHBondContact O-CB 3.38Å; E342-S346 PolarHBondContact O-N 2.8Å; E342-S346 PolarHBondContact O-OG 2.74Å; E343-S346 PolarHBondContact O-OG 2.78Å; V344-S346 VanDerWaalsContact C-N 3.3Å; V344-S346 PolarHBondContact O-N 3.16Å; S346-K348 PolarHBondContact O-N 2.8Å
347F91.6Very high71.3Confident39 Ų3982.5 Ų82.517%0.17147%0.47CS..  trans-66.9126.5-177.2-175.5-96.3000111.2K75 L85 V88 E343 V344 A349K75-F347 HydrophobicContact CD-CD2 4.03Å; K75-F347 HydrophobicContact CG-CD2 3.98Å; K75-F347 HydrophobicContact CG-CE2 4.14Å; L85-F347 HydrophobicContact CB-CE2 4.29Å; L85-F347 HydrophobicContact CB-CZ 4.48Å; L85-F347 HydrophobicContact CD2-CD2 3.96Å; L85-F347 HydrophobicContact CD2-CE2 3.61Å; L85-F347 HydrophobicContact CD2-CZ 4.17Å; L85-F347 HydrophobicContact CG-CE2 4.06Å; L85-F347 HydrophobicContact CG-CZ 4.18Å; V88-F347 HydrophobicContact CG1-CB 3.54Å; V88-F347 HydrophobicContact CG1-CD1 3.78Å; V88-F347 HydrophobicContact CG1-CD2 3.91Å; V88-F347 HydrophobicContact CG1-CE1 4.49Å; V88-F347 HydrophobicContact CG1-CG 3.45Å; V88-F347 VanDerWaalsContact CG1-CG 3.45Å; E343-F347 PolarHBondContact O-N 3.06Å; V344-F347 WeakPolarHBondContact O-CB 3.49Å; V344-F347 PolarHBondContact O-N 3.01Å; F347-A349 HydrophobicContact CE1-CB 4.07Å
348K84.2Confident68.3Low180 Ų18089.3 Ų89.378%0.78350%0.502SS*.  trans-111.3117.2171.2-64.8-176.5-179.1-178.70108.2S346 S350S346-K348 PolarHBondContact O-N 2.8Å; K348-S350 PolarHBondContact O-N 3.19Å
349A74.5Confident65.4Low30 Ų3091.2 Ų91.225%0.24852%0.519CS..  trans-60.5133.8177.900000110.7F347 G351 S352F347-A349 HydrophobicContact CE1-CB 4.07Å; A349-G351 VanDerWaalsContact C-N 3.29Å; A349-G351 PolarHBondContact O-N 3.43Å; A349-S352 PolarHBondContact O-N 3.41Å
350S59.3Low62.4Low102 Ų10298.7 Ų98.771%0.71355%0.554SS**THydrogen-bonded Turntrans-65.688.2171.535.10000109.2K348K348-S350 PolarHBondContact O-N 3.19Å
351G49.2Very low59.6Low72 Ų72111 Ų11174%0.74261%0.611SS**THydrogen-bonded Turntrans154.6-8.9-17600000115.4A349 K353A349-G351 VanDerWaalsContact C-N 3.29Å; A349-G351 PolarHBondContact O-N 3.43Å; G351-K353 PolarHBondContact O-N 3.35Å
352S37.2Very low57.8Low78 Ų78114.6 Ų114.655%0.54563%0.633SS.*  trans-74.478.717072.60000110.3A349 T354A349-S352 PolarHBondContact O-N 3.41Å; S352-T354 PolarHBondContact O-N 3.42Å
353K33.4Very low55.9Low203 Ų203114.4 Ų114.488%0.88364%0.637SS**  trans-68.779.8156.7-80.7-171.1177.8-177.90108.1G351G351-K353 PolarHBondContact O-N 3.35Å
354T34Very low53.8Low116 Ų116119.2 Ų119.271%0.71267%0.665SS**  trans-119.456.5154.5420000107.1S352 S356S352-T354 PolarHBondContact O-N 3.42Å; T354-S356 VanDerWaalsContact C-N 3.27Å; T354-S356 PolarHBondContact O-N 3.15Å
355D32.1Very low51.4Low153 Ų153125.2 Ų125.282%0.81870%0.699SS**  trans-75.796.5151.4-79.5-28.6000105.4L357D355-L357 VanDerWaalsContact C-N 3.33Å; D355-L357 PolarHBondContact O-N 2.8Å
356S31.4Very low48.9Very low104 Ų104127.8 Ų127.873%0.72771%0.706SS**  trans-55.199.2165.242.10000108.2T354 Q358T354-S356 VanDerWaalsContact C-N 3.27Å; T354-S356 PolarHBondContact O-N 3.15Å; S356-Q358 VanDerWaalsContact C-N 3.28Å; S356-Q358 PolarHBondContact O-N 3.4Å
357L32.6Very low46.1Very low160 Ų160131.6 Ų131.684%0.83872%0.72SS**  trans-58.598.9157.5-77.3161.5000106.4D355 V359D355-L357 VanDerWaalsContact C-N 3.33Å; D355-L357 PolarHBondContact O-N 2.8Å; L357-V359 PolarHBondContact O-N 3.17Å
358Q31.5Very low42.8Very low174 Ų174138.2 Ų138.281%0.81376%0.759SS**  trans-61.3106.7160-76.2-178.9-17.800106.3S356 E360S356-Q358 VanDerWaalsContact C-N 3.28Å; S356-Q358 PolarHBondContact O-N 3.4Å; Q358-E360 PolarHBondContact O-N 2.99Å
359V33.3Very low39.7Very low126 Ų126135 Ų13576%0.76476%0.757SS**  trans-7399.9162.1177.80000105.2L357 Q361L357-V359 PolarHBondContact O-N 3.17Å; V359-Q361 PolarHBondContact O-N 3.38Å
360E32.4Very low36.8Very low178 Ų178143.8 Ų143.883%0.83280%0.8SS**  trans-65.6122159.6-75.8-176.4154.900107.6Q358Q358-E360 PolarHBondContact O-N 2.99Å
361Q34.8Very low34.7Very low259 Ų259147.5 Ų147.5100%1.2181%0.808SS**  trans-83.40164.2-78.9-175.30.100110.1V359V359-Q361 PolarHBondContact O-N 3.38Å

Retrieved 361 of 361 residues in 73.1 ms (Link to these results)

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