A0A061IEF9_CRIGR Loading...

Ribonuclease

Catalytic subunit of RNase HII, an endonuclease that specifically degrades the RNA of RNA:DNA hybrids. Participates in DNA replication, possibly by mediating the removal of lagging-strand Okazaki fragment RNA primers during DNA replication. Mediates the excision of single ribonucleotides from DNA:RNA duplexes. Endonuclease that specifically degrades the RNA of RNA-DNA hybrids.

AlphaFold DB , UniProt , Accession A0A061IEF9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rnaseh2a, Length 302 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
1M61.2Low65.8Low67 Ų6778.5 Ų78.533%0.3337%0.373SS..  0140.40-68.1179.9-134.300109.4L16 F80 L94 V185 A186M1-L16 HydrophobicContact CB-CD1 3.84Å; M1-L16 HydrophobicContact CG-CD1 4.19Å; M1-L16 HydrophobicContact SD-CD1 4.15Å; M1-F80 HydrophobicContact CE-CD2 4.13Å; M1-F80 HydrophobicContact CE-CE2 3.35Å; M1-F80 HydrophobicContact CE-CZ 3.64Å; M1-L94 HydrophobicContact SD-CD1 3.88Å; M1-V185 HydrophobicContact CE-CB 4.49Å; M1-V185 HydrophobicContact CE-CG1 3.88Å; M1-A186 HydrophobicContact CE-CB 3.76Å; M1-A186 HydrophobicContact SD-CB 3.58Å; M1-A186 VanDerWaalsContact SD-CB 3.58Å
2D62.3Low67Low75 Ų7573.7 Ų73.740%0.40136%0.359SS..  trans-91.8102.1178-177.78.9000110.2R4 L16D2-R4 VanDerWaalsContact OD1-CB 3.26Å; D2-R4 WeakPolarHBondContact OD1-CB 3.44Å; D2-R4 WeakPolarHBondContact OD1-CD 3.4Å; D2-R4 WeakPolarHBondContact OD1-CG 3.45Å; D2-R4 IonicContact OD1-CZ 3.59Å; D2-R4 PolarHBondContact OD1-N 3.26Å; D2-R4 IonicContact OD1-NE 2.93Å; D2-R4 PolarHBondContact OD1-NE 2.95Å; D2-R4 IonicContact OD1-NH2 3.19Å; D2-R4 IonicContact OD2-CZ 3.81Å; D2-R4 IonicContact OD2-NE 2.71Å; D2-R4 PolarHBondContact OD2-NE 2.82Å; D2-R4 IonicContact OD2-NH2 2.77Å; D2-R4 PolarHBondContact OD2-NH2 3.37Å; D2-L16 WeakPolarHBondContact O-CD2 3.46Å
3L64.8Low68.8Low16 Ų1677.4 Ų77.48%0.08437%0.367CS..  trans-95.212.4-177.7-60.7175.8000113.2E5 L6 E7 L16 I96 A190L3-E5 PolarHBondContact O-N 3.47Å; L3-L6 HydrophobicContact CD2-CD1 4.13Å; L3-L6 PolarHBondContact O-N 2.81Å; L3-E7 PolarHBondContact O-N 3.33Å; L3-L16 HydrophobicContact CD2-CD1 3.95Å; L3-I96 HydrophobicContact CD2-CD1 3.31Å; L3-A190 HydrophobicContact CD1-CB 3.84Å
4R66.4Low70.4Confident149 Ų14971.9 Ų71.956%0.56234%0.341SS*.Hα-helixtrans-56-24.7-176.4-75.5-179.2-66.6179.1-1.3114D2 E7 K8D2-R4 VanDerWaalsContact OD1-CB 3.26Å; D2-R4 WeakPolarHBondContact OD1-CB 3.44Å; D2-R4 WeakPolarHBondContact OD1-CD 3.4Å; D2-R4 WeakPolarHBondContact OD1-CG 3.45Å; D2-R4 IonicContact OD1-CZ 3.59Å; D2-R4 PolarHBondContact OD1-N 3.26Å; D2-R4 IonicContact OD1-NE 2.93Å; D2-R4 PolarHBondContact OD1-NE 2.95Å; D2-R4 IonicContact OD1-NH2 3.19Å; D2-R4 IonicContact OD2-CZ 3.81Å; D2-R4 IonicContact OD2-NE 2.71Å; D2-R4 PolarHBondContact OD2-NE 2.82Å; D2-R4 IonicContact OD2-NH2 2.77Å; D2-R4 PolarHBondContact OD2-NH2 3.37Å; R4-E7 PolarHBondContact O-N 3.27Å; R4-K8 WeakPolarHBondContact O-CG 3.27Å; R4-K8 PolarHBondContact O-N 2.96Å; R4-K8 VanDerWaalsContact O-N 3.12Å
5E65.1Low71.9Confident115 Ų11572.6 Ų72.654%0.53734%0.339SS..Hα-helixtrans-68.4-40.2175.3-65.6-170.1157.900112.5L3 E7 K8 D9 C14L3-E5 PolarHBondContact O-N 3.47Å; E5-E7 VanDerWaalsContact C-N 3.26Å; E5-E7 PolarHBondContact O-N 2.93Å; E5-K8 PolarHBondContact O-N 2.92Å; E5-D9 PolarHBondContact O-N 3.09Å; E5-C14 HydrophobicContact CB-CB 4.36Å
6L64.3Low73.2Confident10 Ų1069.8 Ų69.85%0.05233%0.326CS..Hα-helixtrans-68-30.4174.8-66.7171.7000112L3 D9 N10 C14 I96L3-L6 HydrophobicContact CD2-CD1 4.13Å; L3-L6 PolarHBondContact O-N 2.81Å; L6-D9 CarbonylContact O-C 3.48Å; L6-N10 PolarHBondContact O-N 2.84Å; L6-C14 HydrophobicContact CD1-CB 3.96Å; L6-C14 HydrophobicContact CD2-CB 3.41Å; L6-C14 VanDerWaalsContact CD2-CB 3.41Å; L6-C14 HydrophobicContact CG-CB 3.36Å; L6-I96 HydrophobicContact CD1-CB 3.99Å; L6-I96 HydrophobicContact CD1-CD1 4.27Å; L6-I96 HydrophobicContact CD1-CG2 3.47Å; L6-I96 VanDerWaalsContact CD1-CG2 3.47Å
7E65.1Low74.5Confident81 Ų8168.4 Ų68.438%0.37933%0.327SS..Hα-helixtrans-69.4-34.8175.6-61.8173.7174.100111.6L3 R4 E5 Q195L3-E7 PolarHBondContact O-N 3.33Å; R4-E7 PolarHBondContact O-N 3.27Å; E5-E7 VanDerWaalsContact C-N 3.26Å; E5-E7 PolarHBondContact O-N 2.93Å; E7-Q195 HydrophobicContact CG-CG 4.37Å; E7-Q195 PolarHBondContact OE1-NE2 2.91Å; E7-Q195 PolarHBondContact OE2-NE2 3.4Å
8K66Low75.6Confident182 Ų18265.4 Ų65.479%0.79131%0.314SS*.Hα-helixtrans-78.7-42.1178.4-73.1174.2-176.4177.50112.8R4 E5R4-K8 WeakPolarHBondContact O-CG 3.27Å; R4-K8 PolarHBondContact O-N 2.96Å; R4-K8 VanDerWaalsContact O-N 3.12Å; E5-K8 PolarHBondContact O-N 2.92Å
9D68.3Low76.7Confident83 Ų8368.1 Ų68.144%0.44434%0.337SS..  trans-140.697.9-179.4-177.47.5000110.8E5 L6 T11E5-D9 PolarHBondContact O-N 3.09Å; L6-D9 CarbonylContact O-C 3.48Å; D9-T11 PolarHBondContact O-N 3.09Å; D9-T11 WeakPolarHBondContact OD1-CB 3.16Å; D9-T11 PolarHBondContact OD1-N 2.93Å; D9-T11 PolarHBondContact OD1-OG1 3.09Å; D9-T11 PolarHBondContact OD2-OG1 3.23Å
10N68.6Low77.6Confident9 Ų966.6 Ų66.65%0.04833%0.332CS..THydrogen-bonded Turntrans-83.94.9179.1-149.7-12.8000112.8L6 S98 N100 W194 V197L6-N10 PolarHBondContact O-N 2.84Å; N10-S98 WeakPolarHBondContact O-CB 3.45Å; N10-S98 PolarHBondContact O-OG 3.49Å; N10-S98 WeakPolarHBondContact OD1-CB 3.32Å; N10-N100 WeakPolarHBondContact O-CB 3.26Å; N10-W194 VanDerWaalsContact ND2-CH2 3.33Å; N10-W194 WeakPolarHBondContact ND2-CH2 3.42Å; N10-W194 WeakPolarHBondContact ND2-CZ2 3.48Å; N10-W194 WeakPolarHBondContact OD1-CH2 3.27Å; N10-V197 HydrophobicContact CB-CG2 4.05Å
11T71.5Confident78.5Confident77 Ų7763.8 Ų63.847%0.47232%0.319SS..THydrogen-bonded Turntrans-86.6-15.1176.7730000113D9D9-T11 PolarHBondContact O-N 3.09Å; D9-T11 WeakPolarHBondContact OD1-CB 3.16Å; D9-T11 PolarHBondContact OD1-N 2.93Å; D9-T11 PolarHBondContact OD1-OG1 3.09Å; D9-T11 PolarHBondContact OD2-OG1 3.23Å
12G80.3Confident80.1Confident20 Ų2064 Ų6421%0.20633%0.33CS..SBendtrans-103.7-156.5-171.600000115.4S98G12-S98 PolarHBondContact O-OG 3.15Å
13R90.4Very high81.7Confident122 Ų12262.7 Ų62.746%0.4633%0.325SS..EExtended strand (participates in β ladder)trans-115.2144.3168.264.1-174.973.5-174.72.6107.8I96 L101R13-I96 WeakPolarHBondContact CA-O 3.37Å; R13-L101 HydrophobicContact CB-CD2 4.15Å
14C91.1Very high83.2Confident0 Ų061.9 Ų61.90%032%0.321CS..EExtended strand (participates in β ladder)trans-109.1127.5170.5173.50000109.4E5 L6 I96E5-C14 HydrophobicContact CB-CB 4.36Å; L6-C14 HydrophobicContact CD1-CB 3.96Å; L6-C14 HydrophobicContact CD2-CB 3.41Å; L6-C14 VanDerWaalsContact CD2-CB 3.41Å; L6-C14 HydrophobicContact CG-CB 3.36Å; C14-I96 PolarHBondContact N-O 3.4Å; C14-I96 PolarHBondContact O-N 2.92Å
15R93.3Very high84.6Confident83 Ų8358.9 Ų58.931%0.31332%0.316SS..EExtended strand (participates in β ladder)trans-103.7126.6178.7-177166.7-67.7174.5-3.8109.8L94 D95 Y128R15-L94 CarbonylContact C-O 3.44Å; R15-L94 VanDerWaalsContact CA-O 3.28Å; R15-L94 WeakPolarHBondContact CA-O 3.43Å; R15-D95 VanDerWaalsContact CB-OD1 3.31Å; R15-D95 WeakPolarHBondContact CB-OD1 3.48Å; R15-D95 WeakPolarHBondContact CG-OD1 3.25Å; R15-D95 IonicContact CZ-OD1 3.68Å; R15-D95 IonicContact CZ-OD2 2.69Å; R15-D95 IonicContact NE-OD1 3.67Å; R15-D95 PolarHBondContact NE-OD1 3.47Å; R15-D95 IonicContact NE-OD2 3.51Å; R15-D95 IonicContact NH2-OD1 2.81Å; R15-D95 PolarHBondContact NH2-OD1 2.96Å; R15-D95 IonicContact NH2-OD2 2.75Å; R15-D95 PolarHBondContact NH2-OD2 2.78Å; R15-Y128 VanDerWaalsContact NH1-CD2 3.29Å
16L93.3Very high86Confident27 Ų2761.6 Ų61.614%0.14133%0.326CS..EExtended strand (participates in β ladder)trans-120.3141172.3-60.1177.7000109M1 D2 L3 W92 A93 L94 I96M1-L16 HydrophobicContact CB-CD1 3.84Å; M1-L16 HydrophobicContact CG-CD1 4.19Å; M1-L16 HydrophobicContact SD-CD1 4.15Å; D2-L16 WeakPolarHBondContact O-CD2 3.46Å; L3-L16 HydrophobicContact CD2-CD1 3.95Å; L16-W92 HydrophobicContact CB-CH2 4.44Å; L16-W92 HydrophobicContact CB-CZ3 4.06Å; L16-A93 CarbonylContact O-C 3.55Å; L16-A93 WeakPolarHBondContact O-CA 3.43Å; L16-L94 HydrophobicContact CB-CB 4.38Å; L16-L94 PolarHBondContact N-O 3.28Å; L16-L94 PolarHBondContact O-N 2.76Å; L16-I96 HydrophobicContact CD1-CD1 4.08Å
17S95.1Very high87.6Confident47 Ų4764.7 Ų64.733%0.32934%0.34SS..EExtended strand (participates in β ladder)trans-149.8153.7176.361.10000112.1W92 Y128S17-W92 WeakPolarHBondContact CA-O 3.28Å; S17-W92 WeakPolarHBondContact CB-O 3.11Å; S17-Y128 PolarHBondContact OG-OH 3.37Å
18S94.4Very high89.1Confident15 Ų1563.5 Ų63.511%0.10534%0.339CS..PPolyproline II helixtrans-71.6159.7165.272.20000110.8G91 W92S18-G91 WeakPolarHBondContact OG-CA 3.44Å; S18-W92 PolarHBondContact N-O 2.89Å; S18-W92 PolarHBondContact OG-N 3.48Å; S18-W92 PolarHBondContact OG-O 3.07Å
19P95.1Very high90.6Very high116 Ų11654.9 Ų54.975%0.75330%0.302SS*.PPolyproline II helixtrans-54.3147159.4-21.733.7000110.6P21P19-P21 WeakPolarHBondContact O-CD 3.46Å
20V96.4Very high92Very high38 Ų3850.9 Ų50.923%0.2328%0.281CS..PPolyproline II helixtrans-76.7123.7177.3-177.50000109.7A22 C24 L25 Q132 V134V20-A22 PolarHBondContact O-N 3.33Å; V20-C24 HydrophobicContact CG1-CB 4.41Å; V20-L25 HydrophobicContact CG1-CD2 3.71Å; V20-L25 HydrophobicContact CG1-CG 4.14Å; V20-Q132 HydrophobicContact CG2-CB 3.81Å; V20-Q132 HydrophobicContact CG2-CG 4.46Å; V20-V134 HydrophobicContact CG1-CG2 3.78Å; V20-V134 HydrophobicContact CG2-CG2 4.38Å
21P95.3Very high93.4Very high8 Ų850.5 Ų50.55%0.05228%0.278CS..PPolyproline II helixtrans-65.3135.9176.3-16.428.9000111.1P19 V23 C24 G87 D88P19-P21 WeakPolarHBondContact O-CD 3.46Å; P21-V23 PolarHBondContact O-N 3.34Å; P21-V23 VanDerWaalsContact O-N 3.1Å; P21-C24 WeakPolarHBondContact O-CB 3.47Å; P21-C24 PolarHBondContact O-N 2.9Å; P21-G87 WeakPolarHBondContact CG-O 3.36Å; P21-D88 WeakPolarHBondContact CB-O 3.44Å
22A95.2Very high94.7Very high70 Ų7046.8 Ų46.858%0.57926%0.256SS*.G310 helixtrans-60.6-26.7-17500000113.6V20 C24V20-A22 PolarHBondContact O-N 3.33Å; A22-C24 VanDerWaalsContact C-N 3.33Å
23V96.2Very high95.5Very high48 Ų4845.9 Ų45.929%0.29125%0.246SC..G310 helixtrans-66.3-37.5175.9-173.80000110.9P21 L25 K26 E27 P53P21-V23 PolarHBondContact O-N 3.34Å; P21-V23 VanDerWaalsContact O-N 3.1Å; V23-L25 PolarHBondContact O-N 2.6Å; V23-K26 PolarHBondContact O-N 3.29Å; V23-K26 VanDerWaalsContact O-N 3.09Å; V23-E27 HydrophobicContact CG1-CB 4.28Å; V23-E27 HydrophobicContact CG1-CG 4.07Å; V23-E27 WeakPolarHBondContact CG1-OE1 3.48Å; V23-E27 PolarHBondContact O-N 3.37Å; V23-P53 HydrophobicContact CB-CG 4.13Å; V23-P53 HydrophobicContact CG1-CB 4.23Å; V23-P53 HydrophobicContact CG1-CG 3.55Å
24C96Very high95.8Very high0 Ų040.4 Ų40.40%023%0.226CC..G310 helixtrans-69.7-15.1-177.9-60.50000114.1V20 P21 A22 C29 Y51 V134 N135V20-C24 HydrophobicContact CG1-CB 4.41Å; P21-C24 WeakPolarHBondContact O-CB 3.47Å; P21-C24 PolarHBondContact O-N 2.9Å; A22-C24 VanDerWaalsContact C-N 3.33Å; C24-C29 VanDerWaalsContact CA-SG 3.52Å; C24-C29 VanDerWaalsContact CB-SG 3.57Å; C24-Y51 HydrophobicContact CB-CD2 4.32Å; C24-Y51 HydrophobicContact CB-CE2 4.19Å; C24-V134 HydrophobicContact CB-CG1 4.29Å; C24-N135 PolarHBondContact O-N 2.71Å
25L95.8Very high96Very high85 Ų8541.4 Ų41.445%0.44523%0.231SC..G310 helixtrans-81.1-19.6174.3-59.4176.4000112.6V20 V23 G133V20-L25 HydrophobicContact CG1-CD2 3.71Å; V20-L25 HydrophobicContact CG1-CG 4.14Å; V23-L25 PolarHBondContact O-N 2.6Å; L25-G133 VanDerWaalsContact CD2-O 3.26Å; L25-G133 WeakPolarHBondContact CD2-O 3.3Å
26K95.1Very high96.1Very high173 Ų17337.8 Ų37.875%0.75222%0.219SC*.THydrogen-bonded Turntrans-112.4-48.8-173-62.8179.7-177.3176.20111.6V23 N135V23-K26 PolarHBondContact O-N 3.29Å; V23-K26 VanDerWaalsContact O-N 3.09Å; K26-N135 PolarHBondContact O-ND2 3.37Å
27E96.6Very high96.1Very high75 Ų7537 Ų3735%0.3522%0.217SC..SBendtrans-85.7147.9-176.9-70.2-173.7-145.700111.6V23 C29 P53 S55 N135V23-E27 HydrophobicContact CG1-CB 4.28Å; V23-E27 HydrophobicContact CG1-CG 4.07Å; V23-E27 WeakPolarHBondContact CG1-OE1 3.48Å; V23-E27 PolarHBondContact O-N 3.37Å; E27-C29 PolarHBondContact O-N 3.31Å; E27-P53 HydrophobicContact CB-CB 4.16Å; E27-S55 WeakPolarHBondContact OE2-CB 3.36Å; E27-S55 PolarHBondContact OE2-OG 3.23Å; E27-N135 WeakPolarHBondContact O-CB 3.36Å
28P97.4Very high96.1Very high56 Ų5637.4 Ų37.436%0.36421%0.211SC..  trans-64.5127.5175.228.5-35000110.5L54 N135 T137P28-L54 HydrophobicContact CB-CD1 4Å; P28-L54 HydrophobicContact CG-CD1 4.11Å; P28-L54 WeakPolarHBondContact O-CG 3.35Å; P28-L54 PolarHBondContact O-N 2.79Å; P28-N135 CarbonylContact C-O 3.29Å; P28-N135 WeakPolarHBondContact CA-O 3.44Å; P28-T137 HydrophobicContact CB-CG2 3.56Å
29C97.8Very high96Very high0 Ų038.4 Ų38.40%022%0.224CC..EExtended strand (participates in β ladder)trans-104.5147.8-177.7-70.60000112.3C24 E27 C52 V134 N135 T137 Q138C24-C29 VanDerWaalsContact CA-SG 3.52Å; C24-C29 VanDerWaalsContact CB-SG 3.57Å; E27-C29 PolarHBondContact O-N 3.31Å; C29-C52 VanDerWaalsContact CA-O 3.25Å; C29-C52 WeakPolarHBondContact CA-O 3.27Å; C29-C52 WeakPolarHBondContact CB-O 3.3Å; C29-V134 HydrophobicContact CB-CG1 4.1Å; C29-N135 PolarHBondContact N-O 2.93Å; C29-T137 PolarHBondContact O-N 2.96Å; C29-T137 PolarHBondContact O-OG1 2.99Å; C29-Q138 PolarHBondContact O-N 3.45Å
30V97.8Very high96.1Very high0 Ų033 Ų330%019%0.189CC..EExtended strand (participates in β ladder)trans-95.7143.5163.156.90000109Y51 C52 L54 L57 Q138 F140 V175V30-Y51 WeakPolarHBondContact O-CA 3.32Å; V30-Y51 WeakPolarHBondContact O-CB 3.35Å; V30-C52 WeakPolarHBondContact CG1-O 3.35Å; V30-C52 PolarHBondContact N-O 3.38Å; V30-C52 PolarHBondContact O-N 3.02Å; V30-C52 VanDerWaalsContact O-N 3.15Å; V30-L54 HydrophobicContact CB-CD2 3.86Å; V30-L54 HydrophobicContact CG1-CD2 4.27Å; V30-L57 HydrophobicContact CB-CD1 4.44Å; V30-L57 HydrophobicContact CG1-CD1 3.75Å; V30-Q138 CarbonylContact C-O 3.6Å; V30-Q138 WeakPolarHBondContact CA-O 3.37Å; V30-Q138 HydrophobicContact CG2-CB 4.35Å; V30-F140 HydrophobicContact CG2-CD2 3.54Å; V30-F140 HydrophobicContact CG2-CE2 3.47Å; V30-F140 VanDerWaalsContact CG2-CE2 3.47Å; V30-V175 HydrophobicContact CG1-CG1 3.66Å; V30-V175 HydrophobicContact CG2-CG1 4.21Å; V30-V175 HydrophobicContact CG2-CG2 3.89Å
31L98.3Very high96.1Very high0 Ų031.2 Ų31.20%018%0.178CC..EExtended strand (participates in β ladder)trans-127.1130.7178.5-172.7154.9000110.2V33 I49 C50 I126 A129 V136 Q138 V139 F140L31-V33 HydrophobicContact CD2-CG2 3.43Å; L31-V33 VanDerWaalsContact CD2-CG2 3.43Å; L31-I49 HydrophobicContact CD1-CD1 4.1Å; L31-I49 HydrophobicContact CD2-CB 4.12Å; L31-I49 HydrophobicContact CD2-CG2 4.04Å; L31-I49 HydrophobicContact CG-CB 4.4Å; L31-C50 CarbonylContact C-O 3.58Å; L31-C50 WeakPolarHBondContact CA-O 3.34Å; L31-I126 HydrophobicContact CD2-CG1 4.14Å; L31-A129 HydrophobicContact CD1-CB 3.86Å; L31-V136 HydrophobicContact CB-CG1 3.83Å; L31-V136 HydrophobicContact CD1-CG1 4.28Å; L31-V136 HydrophobicContact CD1-CG2 3.94Å; L31-Q138 PolarHBondContact N-O 3.11Å; L31-V139 HydrophobicContact CB-CG2 4.33Å; L31-V139 HydrophobicContact CD2-CG1 4.04Å; L31-V139 CarbonylContact O-C 3.56Å; L31-V139 WeakPolarHBondContact O-CA 3.27Å; L31-F140 PolarHBondContact O-N 3.15Å
32G97.7Very high96Very high0 Ų030.8 Ų30.80%018%0.175CC..EExtended strand (participates in β ladder)trans-107140.8172.300000111.2I49 C50 F140G32-I49 CarbonylContact O-C 3.57Å; G32-I49 VanDerWaalsContact O-CA 3.22Å; G32-I49 WeakPolarHBondContact O-CA 3.46Å; G32-C50 PolarHBondContact N-O 2.84Å; G32-C50 PolarHBondContact O-N 2.89Å; G32-F140 CarbonylContact C-O 3.59Å; G32-F140 WeakPolarHBondContact CA-O 3.28Å
33V97.6Very high96Very high1 Ų127.5 Ų27.51%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-125.6130.9177.5-170.40000109.8L31 Y47 A48 I49 A122 I126 V139 F140 V141 D142L31-V33 HydrophobicContact CD2-CG2 3.43Å; L31-V33 VanDerWaalsContact CD2-CG2 3.43Å; V33-Y47 HydrophobicContact CG1-CD1 4.35Å; V33-A48 WeakPolarHBondContact CA-O 3.22Å; V33-I49 HydrophobicContact CB-CG2 4.36Å; V33-I49 HydrophobicContact CG1-CG2 4.16Å; V33-I49 HydrophobicContact CG2-CG2 3.87Å; V33-A122 HydrophobicContact CG1-CB 4.02Å; V33-I126 HydrophobicContact CG2-CD1 4.12Å; V33-I126 HydrophobicContact CG2-CG1 4.02Å; V33-V139 HydrophobicContact CG2-CG1 4.16Å; V33-F140 PolarHBondContact N-O 2.79Å; V33-V141 HydrophobicContact CB-CB 4.31Å; V33-V141 HydrophobicContact CB-CG1 4.06Å; V33-V141 HydrophobicContact CB-CG2 4.02Å; V33-V141 HydrophobicContact CG1-CG1 4.36Å; V33-V141 HydrophobicContact CG2-CG2 3.88Å; V33-D142 PolarHBondContact O-N 2.83Å; V33-D142 VanDerWaalsContact O-N 3.09Å
34D96.8Very high95.9Very high6 Ų625.2 Ų25.23%0.03213%0.134CC..EExtended strand (participates in β ladder)trans-149.3169.7175.2-150.2-43.5000110.3A48 V176 A179 S180D34-A48 PolarHBondContact N-O 3.43Å; D34-A48 VanDerWaalsContact N-O 3.13Å; D34-A48 PolarHBondContact O-N 3.47Å; D34-V176 HydrophobicContact CB-CG1 4.16Å; D34-A179 HydrophobicContact CB-CB 3.94Å; D34-S180 WeakPolarHBondContact OD2-CB 3.41Å
35E95.4Very high95.9Very high21 Ų2125.2 Ų25.210%0.09813%0.134CC..EExtended strand (participates in β ladder)trans-131.7164.2177.883.1-101-178.500114.3R38 V46 Y47E35-R38 HydrophobicContact CG-CB 4.32Å; E35-V46 CarbonylContact C-O 3.6Å; E35-V46 VanDerWaalsContact CA-O 3.22Å; E35-V46 WeakPolarHBondContact CA-O 3.46Å; E35-V46 WeakPolarHBondContact CB-O 3.31Å; E35-Y47 HydrophobicContact CB-CD1 3.97Å; E35-Y47 HydrophobicContact CB-CD2 4.11Å; E35-Y47 HydrophobicContact CB-CE1 3.69Å; E35-Y47 HydrophobicContact CB-CE2 3.86Å; E35-Y47 HydrophobicContact CB-CG 4.14Å; E35-Y47 HydrophobicContact CG-CE1 4.45Å; E35-Y47 HydrophobicContact CG-CE2 4.43Å; E35-Y47 WeakPolarHBondContact OE2-CE1 3.39Å; E35-Y47 PolarHBondContact OE2-OH 2.8Å
36A94.5Very high95.9Very high8 Ų821.1 Ų21.17%0.06611%0.113CC..EExtended strand (participates in β ladder)trans-138.9147.5169.700000111V46 A183 K184 R187A36-V46 PolarHBondContact N-O 2.96Å; A36-V46 PolarHBondContact O-N 3.45Å; A36-A183 VanDerWaalsContact CB-C 3.48Å; A36-A183 HydrophobicContact CB-CB 3.73Å; A36-A183 WeakPolarHBondContact CB-O 3.27Å; A36-K184 HydrophobicContact CB-CB 4.3Å; A36-K184 HydrophobicContact CB-CG 3.77Å; A36-R187 HydrophobicContact CB-CB 3.97Å; A36-R187 HydrophobicContact CB-CG 4.38Å
37G93.5Very high96Very high10 Ų1013 Ų1310%0.1038%0.078CC..  trans77.327.7176.900000114.2R236G37-R236 VanDerWaalsContact O-CZ 3.31Å; G37-R236 PolarHBondContact O-NH1 3.47Å; G37-R236 PolarHBondContact O-NH2 2.86Å
38R94.4Very high96.1Very high55 Ų559.5 Ų9.521%0.2086%0.061CC..SBendtrans-65.5-43.3174.2-174.9-178.1169.9104.66.1113.3E35 M45 L114 N115 S118 R236 W239E35-R38 HydrophobicContact CG-CB 4.32Å; R38-M45 HydrophobicContact CB-SD 4.19Å; R38-M45 HydrophobicContact CG-SD 4.24Å; R38-L114 HydrophobicContact CG-CD2 4.15Å; R38-N115 PolarHBondContact NH2-OD1 2.9Å; R38-S118 PolarHBondContact NH1-OG 3.31Å; R38-S118 VanDerWaalsContact NH1-OG 3.15Å; R38-R236 PolarHBondContact O-NH1 3.07Å; R38-W239 WeakPolarHBondContact O-CZ2 3.37Å
39G93.4Very high96.1Very high36 Ų366.8 Ų6.837%0.3714%0.044SC..SBendtrans-83.6-32-173.500000118.7W239G39-W239 PolarHBondContact O-NE1 3.41Å
40P96Very high96.1Very high3 Ų36.8 Ų6.82%0.0194%0.044CC..  trans-53.9144.5-179-3137.7000114.3L42 G210 Y211 R236 W239P40-L42 VanDerWaalsContact C-N 3.34Å; P40-L42 WeakPolarHBondContact CB-O 3.35Å; P40-G210 CarbonylContact C-O 3.51Å; P40-G210 VanDerWaalsContact CA-O 3.27Å; P40-G210 WeakPolarHBondContact CA-O 3.34Å; P40-G210 WeakPolarHBondContact CB-O 3.3Å; P40-Y211 HydrophobicContact CG-CD1 4.29Å; P40-Y211 HydrophobicContact CG-CD2 4.2Å; P40-Y211 HydrophobicContact CG-CE1 3.93Å; P40-Y211 HydrophobicContact CG-CE2 3.83Å; P40-Y211 HydrophobicContact CG-CG 4.42Å; P40-R236 WeakPolarHBondContact O-CD 3.24Å; P40-R236 PolarHBondContact O-NE 3.01Å; P40-R236 PolarHBondContact O-NH1 3Å; P40-W239 WeakPolarHBondContact O-CZ2 3.48Å; P40-W239 PolarHBondContact O-NE1 2.97Å
41V96.7Very high96.1Very high0 Ų07.1 Ų7.10%05%0.045CC..SBendtrans-82.3-17.7169.460.60000111.6G210 P212 T217 L221 V235 R236 W239 A242V41-G210 WeakPolarHBondContact CG1-O 3Å; V41-G210 PolarHBondContact N-O 3.2Å; V41-P212 HydrophobicContact CG1-CB 4.42Å; V41-T217 HydrophobicContact CG1-CG2 3.8Å; V41-L221 HydrophobicContact CG1-CD1 4.02Å; V41-L221 HydrophobicContact CG2-CD1 4.42Å; V41-V235 HydrophobicContact CG2-CG1 4.34Å; V41-R236 WeakPolarHBondContact O-CB 3.47Å; V41-R236 WeakPolarHBondContact O-CG 3.18Å; V41-R236 PolarHBondContact O-N 3.17Å; V41-W239 HydrophobicContact CB-CB 4.33Å; V41-W239 HydrophobicContact CB-CG 4.11Å; V41-W239 HydrophobicContact CG2-CB 3.74Å; V41-W239 HydrophobicContact CG2-CG 4.02Å; V41-A242 HydrophobicContact CG2-CB 4.19Å
42L94.6Very high96Very high0 Ų07.1 Ų7.10%05%0.045CC..BIsolated β-bridgetrans-109.9147.3177.5-58.4-175.3000111.9P40 R187 Y207 G210 T217 W220 L221 F234 V235P40-L42 VanDerWaalsContact C-N 3.34Å; P40-L42 WeakPolarHBondContact CB-O 3.35Å; L42-R187 PolarHBondContact O-NH2 3.12Å; L42-Y207 HydrophobicContact CD1-CD2 3.92Å; L42-Y207 HydrophobicContact CD1-CG 3.86Å; L42-G210 PolarHBondContact N-O 3.43Å; L42-T217 HydrophobicContact CD1-CG2 3.79Å; L42-T217 HydrophobicContact CG-CG2 4.05Å; L42-W220 HydrophobicContact CD1-CE3 4.02Å; L42-W220 HydrophobicContact CD1-CZ3 4.31Å; L42-W220 HydrophobicContact CD2-CE3 4.26Å; L42-W220 HydrophobicContact CD2-CZ3 3.92Å; L42-L221 HydrophobicContact CD2-CD2 3.9Å; L42-F234 HydrophobicContact CB-CD1 4.16Å; L42-F234 HydrophobicContact CB-CE1 3.8Å; L42-F234 HydrophobicContact CB-CZ 4.32Å; L42-F234 HydrophobicContact CD1-CE1 4.24Å; L42-F234 HydrophobicContact CD2-CD1 4.37Å; L42-F234 HydrophobicContact CG-CE1 4.48Å; L42-V235 HydrophobicContact CD2-CB 4.18Å; L42-V235 HydrophobicContact CD2-CG1 4.24Å; L42-V235 HydrophobicContact CD2-CG2 3.63Å
43G93.6Very high96Very high0 Ų07.1 Ų7.10%05%0.045CC..SBendtrans78.2172.8169.200000116F234 R236G43-F234 PolarHBondContact N-O 3.38Å; G43-R236 VanDerWaalsContact O-CZ 3.25Å; G43-R236 PolarHBondContact O-NE 2.89Å; G43-R236 PolarHBondContact O-NH2 3.42Å
44P94.7Very high95.9Very high0 Ų09.9 Ų9.90%06%0.059CC..  trans-62.2164.7179.624.3-35.2000116.4I96 L97 R187 A190 W194 R236P44-I96 HydrophobicContact CB-CG2 3.69Å; P44-I96 HydrophobicContact CG-CG2 4.11Å; P44-L97 CarbonylContact C-O 3.59Å; P44-L97 WeakPolarHBondContact CA-O 3.47Å; P44-L97 WeakPolarHBondContact CB-O 3.31Å; P44-R187 PolarHBondContact O-NH1 3.27Å; P44-A190 HydrophobicContact CG-CB 3.96Å; P44-W194 HydrophobicContact CB-CZ3 4.46Å; P44-W194 VanDerWaalsContact CD-CZ3 3.5Å; P44-W194 HydrophobicContact CG-CE3 4.34Å; P44-W194 HydrophobicContact CG-CZ3 3.91Å; P44-R236 PolarHBondContact O-NH2 3.3Å
45M95.9Very high95.9Very high0 Ų013.2 Ų13.20%08%0.083CC..EExtended strand (participates in β ladder)trans-108.6137.4163.7-176.5171.865.100107.7R38 Y47 L97 I102 L114 L117R38-M45 HydrophobicContact CB-SD 4.19Å; R38-M45 HydrophobicContact CG-SD 4.24Å; M45-Y47 HydrophobicContact CE-CD2 4.42Å; M45-Y47 HydrophobicContact CE-CE2 3.88Å; M45-Y47 HydrophobicContact CG-CE2 4.47Å; M45-Y47 HydrophobicContact SD-CE2 4.2Å; M45-L97 HydrophobicContact CB-CB 4.49Å; M45-L97 HydrophobicContact CE-CD1 4.49Å; M45-L97 HydrophobicContact CE-CD2 4.03Å; M45-L97 PolarHBondContact N-O 3.09Å; M45-L97 WeakPolarHBondContact O-CB 3.43Å; M45-L97 VanDerWaalsContact O-CD1 3.24Å; M45-L97 WeakPolarHBondContact O-CD1 3.35Å; M45-L97 PolarHBondContact O-N 3.48Å; M45-I102 HydrophobicContact CB-CD1 3.67Å; M45-L114 HydrophobicContact CE-CD1 3.94Å; M45-L114 HydrophobicContact SD-CD1 4.2Å; M45-L117 HydrophobicContact CE-CD2 4.45Å
46V96.4Very high95.8Very high0 Ų016.3 Ų16.30%09%0.094CC..EExtended strand (participates in β ladder)trans-118126.7-177.1-174.60000109.5E35 A36 L94 D95 I96 A183 A186 R187E35-V46 CarbonylContact C-O 3.6Å; E35-V46 VanDerWaalsContact CA-O 3.22Å; E35-V46 WeakPolarHBondContact CA-O 3.46Å; E35-V46 WeakPolarHBondContact CB-O 3.31Å; A36-V46 PolarHBondContact N-O 2.96Å; A36-V46 PolarHBondContact O-N 3.45Å; V46-L94 HydrophobicContact CG1-CD2 4.36Å; V46-D95 WeakPolarHBondContact CA-O 3.36Å; V46-I96 HydrophobicContact CG1-CG1 4.07Å; V46-I96 HydrophobicContact CG2-CB 4.43Å; V46-I96 HydrophobicContact CG2-CG1 4.06Å; V46-I96 HydrophobicContact CG2-CG2 4.1Å; V46-A183 HydrophobicContact CG1-CB 4.4Å; V46-A186 HydrophobicContact CG1-CB 4.03Å; V46-R187 HydrophobicContact CB-CB 4.4Å; V46-R187 HydrophobicContact CG2-CB 3.84Å
47Y97.5Very high95.7Very high3 Ų318.4 Ų18.41%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-102.4142.2166.4-92.2-91000109.6V33 E35 M45 L94 D95 L97 S118 T121 A122V33-Y47 HydrophobicContact CG1-CD1 4.35Å; E35-Y47 HydrophobicContact CB-CD1 3.97Å; E35-Y47 HydrophobicContact CB-CD2 4.11Å; E35-Y47 HydrophobicContact CB-CE1 3.69Å; E35-Y47 HydrophobicContact CB-CE2 3.86Å; E35-Y47 HydrophobicContact CB-CG 4.14Å; E35-Y47 HydrophobicContact CG-CE1 4.45Å; E35-Y47 HydrophobicContact CG-CE2 4.43Å; E35-Y47 WeakPolarHBondContact OE2-CE1 3.39Å; E35-Y47 PolarHBondContact OE2-OH 2.8Å; M45-Y47 HydrophobicContact CE-CD2 4.42Å; M45-Y47 HydrophobicContact CE-CE2 3.88Å; M45-Y47 HydrophobicContact CG-CE2 4.47Å; M45-Y47 HydrophobicContact SD-CE2 4.2Å; Y47-L94 CarbonylContact O-C 3.48Å; Y47-L94 VanDerWaalsContact O-CA 3.25Å; Y47-L94 WeakPolarHBondContact O-CA 3.41Å; Y47-D95 PolarHBondContact N-O 3.27Å; Y47-D95 PolarHBondContact O-N 2.85Å; Y47-L97 HydrophobicContact CD2-CD1 4.11Å; Y47-S118 WeakPolarHBondContact OH-CB 3.49Å; Y47-S118 PolarHBondContact OH-OG 3.26Å; Y47-T121 HydrophobicContact CD2-CG2 3.88Å; Y47-T121 HydrophobicContact CG-CG2 3.94Å; Y47-A122 HydrophobicContact CD1-CB 4.12Å; Y47-A122 HydrophobicContact CE1-CB 4.04Å
48A97.5Very high95.5Very high0 Ų021 Ų210%013%0.125CC..EExtended strand (participates in β ladder)trans-130.3147.2177.800000111.2V33 D34 A93 L94 A179 F182 A183V33-A48 WeakPolarHBondContact CA-O 3.22Å; D34-A48 PolarHBondContact N-O 3.43Å; D34-A48 VanDerWaalsContact N-O 3.13Å; D34-A48 PolarHBondContact O-N 3.47Å; A48-A93 CarbonylContact C-O 3.54Å; A48-A93 WeakPolarHBondContact CA-O 3.47Å; A48-L94 HydrophobicContact CB-CD2 3.23Å; A48-A179 HydrophobicContact CB-CB 4.23Å; A48-A179 WeakPolarHBondContact CB-O 3.42Å; A48-F182 HydrophobicContact CB-CB 4.04Å; A48-A183 HydrophobicContact CB-CB 3.69Å
49I98.2Very high95.4Very high0 Ų021.8 Ų21.80%013%0.133CC..EExtended strand (participates in β ladder)trans-122.4143.5162.662164000110.1L31 G32 V33 Y51 W92 A93 L125 A129L31-I49 HydrophobicContact CD1-CD1 4.1Å; L31-I49 HydrophobicContact CD2-CB 4.12Å; L31-I49 HydrophobicContact CD2-CG2 4.04Å; L31-I49 HydrophobicContact CG-CB 4.4Å; G32-I49 CarbonylContact O-C 3.57Å; G32-I49 VanDerWaalsContact O-CA 3.22Å; G32-I49 WeakPolarHBondContact O-CA 3.46Å; V33-I49 HydrophobicContact CB-CG2 4.36Å; V33-I49 HydrophobicContact CG1-CG2 4.16Å; V33-I49 HydrophobicContact CG2-CG2 3.87Å; I49-Y51 HydrophobicContact CD1-CD1 4.45Å; I49-W92 VanDerWaalsContact O-CA 3.23Å; I49-W92 WeakPolarHBondContact O-CA 3.44Å; I49-W92 WeakPolarHBondContact O-CB 3.22Å; I49-A93 HydrophobicContact CD1-CB 3.96Å; I49-A93 HydrophobicContact CG1-CB 3.69Å; I49-A93 WeakPolarHBondContact CG1-O 3.48Å; I49-A93 PolarHBondContact N-O 3.28Å; I49-A93 PolarHBondContact O-N 3.12Å; I49-L125 HydrophobicContact CD1-CB 4.24Å; I49-L125 WeakPolarHBondContact CD1-O 3.47Å; I49-L125 HydrophobicContact CG1-CB 4.28Å; I49-L125 HydrophobicContact CG2-CB 3.63Å; I49-L125 HydrophobicContact CG2-CD1 4.08Å; I49-L125 HydrophobicContact CG2-CG 4.47Å; I49-A129 HydrophobicContact CD1-CB 3.85Å
50C97.5Very high95.1Very high0 Ų020.1 Ų20.10%012%0.115CC..EExtended strand (participates in β ladder)trans-128.1136.9169.8176.90000108.1L31 G32 G91 A178 A179 F182L31-C50 CarbonylContact C-O 3.58Å; L31-C50 WeakPolarHBondContact CA-O 3.34Å; G32-C50 PolarHBondContact N-O 2.84Å; G32-C50 PolarHBondContact O-N 2.89Å; C50-G91 CarbonylContact C-O 3.48Å; C50-G91 WeakPolarHBondContact CA-O 3.45Å; C50-A178 HydrophobicContact CB-CB 3.92Å; C50-A178 VanDerWaalsContact SG-CB 3.56Å; C50-A179 HydrophobicContact CB-CB 4.17Å; C50-F182 HydrophobicContact CB-CD2 4.04Å; C50-F182 HydrophobicContact CB-CE2 3.97Å
51Y97.6Very high94.6Very high7 Ų725.7 Ų25.73%0.02714%0.141CC..EExtended strand (participates in β ladder)trans-139147.1178.158.1-90.1000111.5C24 V30 I49 G91 V134C24-Y51 HydrophobicContact CB-CD2 4.32Å; C24-Y51 HydrophobicContact CB-CE2 4.19Å; V30-Y51 WeakPolarHBondContact O-CA 3.32Å; V30-Y51 WeakPolarHBondContact O-CB 3.35Å; I49-Y51 HydrophobicContact CD1-CD1 4.45Å; Y51-G91 WeakPolarHBondContact CD1-O 3.49Å; Y51-G91 VanDerWaalsContact CE1-C 3.5Å; Y51-G91 PolarHBondContact N-O 2.98Å; Y51-G91 PolarHBondContact O-N 2.84Å; Y51-V134 HydrophobicContact CD2-CG1 3.65Å; Y51-V134 HydrophobicContact CD2-CG2 4.17Å; Y51-V134 HydrophobicContact CE1-CG2 4.48Å; Y51-V134 HydrophobicContact CE2-CB 4.48Å; Y51-V134 HydrophobicContact CE2-CG1 3.95Å; Y51-V134 HydrophobicContact CE2-CG2 3.62Å; Y51-V134 HydrophobicContact CG-CG1 4.18Å
52C97Very high94.1Very high0 Ų029.2 Ų29.20%017%0.17CC..EExtended strand (participates in β ladder)trans-151.3160.9174.470.90000110.5C29 V30 F89C29-C52 VanDerWaalsContact CA-O 3.25Å; C29-C52 WeakPolarHBondContact CA-O 3.27Å; C29-C52 WeakPolarHBondContact CB-O 3.3Å; V30-C52 WeakPolarHBondContact CG1-O 3.35Å; V30-C52 PolarHBondContact N-O 3.38Å; V30-C52 PolarHBondContact O-N 3.02Å; V30-C52 VanDerWaalsContact O-N 3.15Å; C52-F89 HydrophobicContact CB-CD2 4.28Å
53P97.6Very high93.3Very high0 Ų030 Ų300%018%0.175CC..EExtended strand (participates in β ladder)trans-59.7142.2173.3-2233.7000111.5V23 E27 S55 R56 L57 F89V23-P53 HydrophobicContact CB-CG 4.13Å; V23-P53 HydrophobicContact CG1-CB 4.23Å; V23-P53 HydrophobicContact CG1-CG 3.55Å; E27-P53 HydrophobicContact CB-CB 4.16Å; P53-S55 PolarHBondContact O-N 3.46Å; P53-R56 HydrophobicContact CB-CG 4.22Å; P53-R56 HydrophobicContact CG-CG 4.34Å; P53-R56 PolarHBondContact O-N 3.42Å; P53-L57 PolarHBondContact O-N 3.26Å; P53-F89 WeakPolarHBondContact CD-O 3.45Å
54L95.5Very high92.2Very high58 Ų5838.6 Ų38.630%0.30421%0.212SC..G310 helixtrans-57-33.2176.2-77.2170.4000112.2P28 V30 R56 L57P28-L54 HydrophobicContact CB-CD1 4Å; P28-L54 HydrophobicContact CG-CD1 4.11Å; P28-L54 WeakPolarHBondContact O-CG 3.35Å; P28-L54 PolarHBondContact O-N 2.79Å; V30-L54 HydrophobicContact CB-CD2 3.86Å; V30-L54 HydrophobicContact CG1-CD2 4.27Å; L54-R56 PolarHBondContact O-N 2.88Å; L54-L57 WeakPolarHBondContact O-CB 3.35Å; L54-L57 PolarHBondContact O-N 3.41Å
55S95.7Very high90.7Very high77 Ų7738.6 Ų38.654%0.53821%0.212SC..G310 helixtrans-63.4-2417759.10000113.6E27 P53E27-S55 WeakPolarHBondContact OE2-CB 3.36Å; E27-S55 PolarHBondContact OE2-OG 3.23Å; P53-S55 PolarHBondContact O-N 3.46Å
56R94.6Very high88.9Confident86 Ų8641.2 Ų41.233%0.32523%0.233SC..G310 helixtrans-108.39.4-175.7-54.7-61.4-60.3-71-9.3113.2P53 L54 A58 D59 L60 F89P53-R56 HydrophobicContact CB-CG 4.22Å; P53-R56 HydrophobicContact CG-CG 4.34Å; P53-R56 PolarHBondContact O-N 3.42Å; L54-R56 PolarHBondContact O-N 2.88Å; R56-A58 VanDerWaalsContact C-N 3.28Å; R56-A58 PolarHBondContact O-N 2.88Å; R56-D59 IonicContact CZ-OD2 3.14Å; R56-D59 IonicContact NE-OD2 2.65Å; R56-D59 PolarHBondContact NE-OD2 2.99Å; R56-D59 IonicContact NH2-OD2 3.89Å; R56-D59 PolarHBondContact NH2-OD2 3.13Å; R56-D59 WeakPolarHBondContact O-CB 3.49Å; R56-D59 PolarHBondContact O-N 3.06Å; R56-D59 VanDerWaalsContact O-N 3.09Å; R56-L60 PolarHBondContact O-N 3.4Å; R56-F89 HydrophobicContact CB-CD2 3.64Å; R56-F89 HydrophobicContact CB-CE2 4.06Å; R56-F89 HydrophobicContact CB-CG 4.36Å; R56-F89 HydrophobicContact CG-CB 4.4Å; R56-F89 HydrophobicContact CG-CD2 4.19Å; R56-F89 HydrophobicContact CG-CG 4.45Å
57L91.1Very high87.1Confident51 Ų5145.4 Ų45.427%0.26726%0.256SS..Hα-helixtrans-61.4-36.5-177.4-168.2147.6000112.5V30 P53 L54 D59 L60 E61V30-L57 HydrophobicContact CB-CD1 4.44Å; V30-L57 HydrophobicContact CG1-CD1 3.75Å; P53-L57 PolarHBondContact O-N 3.26Å; L54-L57 WeakPolarHBondContact O-CB 3.35Å; L54-L57 PolarHBondContact O-N 3.41Å; L57-D59 VanDerWaalsContact C-N 3.29Å; L57-D59 PolarHBondContact O-N 3.19Å; L57-L60 PolarHBondContact O-N 3.38Å; L57-E61 PolarHBondContact O-N 3.47Å
58A90.6Very high85.4Confident66 Ų6645.5 Ų45.555%0.54526%0.257SS..Hα-helixtrans-64.8-32.1176.400000112.8R56 E61 A62R56-A58 VanDerWaalsContact C-N 3.28Å; R56-A58 PolarHBondContact O-N 2.88Å; A58-E61 PolarHBondContact O-N 3.47Å; A58-A62 WeakPolarHBondContact O-CB 3.34Å; A58-A62 PolarHBondContact O-N 3.21Å
59D90.9Very high83.9Confident71 Ų7151.3 Ų51.338%0.3828%0.282SS..Hα-helixtrans-69.8-41176.9-63.8-19.8000110.6R56 L57 E61 A62 L63 F89R56-D59 IonicContact CZ-OD2 3.14Å; R56-D59 IonicContact NE-OD2 2.65Å; R56-D59 PolarHBondContact NE-OD2 2.99Å; R56-D59 IonicContact NH2-OD2 3.89Å; R56-D59 PolarHBondContact NH2-OD2 3.13Å; R56-D59 WeakPolarHBondContact O-CB 3.49Å; R56-D59 PolarHBondContact O-N 3.06Å; R56-D59 VanDerWaalsContact O-N 3.09Å; L57-D59 VanDerWaalsContact C-N 3.29Å; L57-D59 PolarHBondContact O-N 3.19Å; D59-E61 VanDerWaalsContact C-N 3.31Å; D59-E61 PolarHBondContact O-N 3.24Å; D59-A62 WeakPolarHBondContact O-CB 3.42Å; D59-A62 PolarHBondContact O-N 3.08Å; D59-L63 WeakPolarHBondContact O-CG 3.46Å; D59-L63 PolarHBondContact O-N 3.39Å; D59-F89 HydrophobicContact CB-CE2 4.27Å; D59-F89 HydrophobicContact CB-CZ 4.12Å
60L87.9Confident82.5Confident0 Ų056 Ų560%031%0.311CS..Hα-helixtrans-61.9-39.4173.4-174.666.3000111.5R56 L57 L63 V65 V90 P174 V175 A178R56-L60 PolarHBondContact O-N 3.4Å; L57-L60 PolarHBondContact O-N 3.38Å; L60-L63 HydrophobicContact CD1-CD1 4.11Å; L60-L63 WeakPolarHBondContact O-CB 3.12Å; L60-L63 PolarHBondContact O-N 2.92Å; L60-V65 HydrophobicContact CD1-CG2 4.49Å; L60-V90 HydrophobicContact CD1-CG2 4.32Å; L60-P174 HydrophobicContact CD2-CB 4.25Å; L60-P174 HydrophobicContact CG-CB 4.23Å; L60-V175 HydrophobicContact CD2-CB 4.29Å; L60-V175 HydrophobicContact CD2-CG1 3.47Å; L60-V175 VanDerWaalsContact CD2-CG1 3.47Å; L60-A178 HydrophobicContact CD1-CB 4.43Å
61E86.5Confident81.6Confident120 Ų12057.9 Ų57.956%0.56132%0.321SS*.Hα-helixtrans-64.8-39.8174.6-169173.3-170.100112L57 A58 D59 L63 K64 P174L57-E61 PolarHBondContact O-N 3.47Å; A58-E61 PolarHBondContact O-N 3.47Å; D59-E61 VanDerWaalsContact C-N 3.31Å; D59-E61 PolarHBondContact O-N 3.24Å; E61-L63 PolarHBondContact O-N 2.95Å; E61-L63 VanDerWaalsContact O-N 3.16Å; E61-K64 PolarHBondContact O-N 3.1Å; E61-P174 HydrophobicContact CB-CB 4.43Å; E61-P174 HydrophobicContact CB-CG 3.92Å; E61-P174 HydrophobicContact CG-CG 4Å
62A85.7Confident81.1Confident74 Ų7461.2 Ų61.261%0.61234%0.342SS*.Hα-helixtrans-63-20176.400000113.4A58 D59 K64A58-A62 WeakPolarHBondContact O-CB 3.34Å; A58-A62 PolarHBondContact O-N 3.21Å; D59-A62 WeakPolarHBondContact O-CB 3.42Å; D59-A62 PolarHBondContact O-N 3.08Å; A62-K64 PolarHBondContact O-N 2.95Å
63L76.8Confident80.6Confident18 Ų1863.9 Ų63.99%0.09435%0.354CS..THydrogen-bonded Turntrans-68.8-5.7171.5-59.6-179.7000113.4D59 L60 E61 V65 K82 M83 D86D59-L63 WeakPolarHBondContact O-CG 3.46Å; D59-L63 PolarHBondContact O-N 3.39Å; L60-L63 HydrophobicContact CD1-CD1 4.11Å; L60-L63 WeakPolarHBondContact O-CB 3.12Å; L60-L63 PolarHBondContact O-N 2.92Å; E61-L63 PolarHBondContact O-N 2.95Å; E61-L63 VanDerWaalsContact O-N 3.16Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 HydrophobicContact CB-CG2 3.7Å; L63-V65 PolarHBondContact O-N 3.4Å; L63-K82 HydrophobicContact CD2-CD 3.8Å; L63-K82 HydrophobicContact CD2-CG 4.27Å; L63-M83 HydrophobicContact CD1-CG 4.14Å; L63-D86 WeakPolarHBondContact CD1-OD2 3.43Å; L63-D86 WeakPolarHBondContact CD2-OD2 3.44Å
64K70.9Confident80.2Confident179 Ų17969.7 Ų69.778%0.77839%0.385SS*.THydrogen-bonded Turntrans56.843179.5-62.6-172.3178-175.70113.4E61 A62 A66E61-K64 PolarHBondContact O-N 3.1Å; A62-K64 PolarHBondContact O-N 2.95Å; K64-A66 PolarHBondContact O-N 2.95Å
65V64.2Low79.8Confident1 Ų170.9 Ų70.91%0.00639%0.389CS..G310 helixtrans-73.4-17.2-177.8-163.90000112.5L60 L63 D67 M83 S177 A178 I181L60-V65 HydrophobicContact CD1-CG2 4.49Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 HydrophobicContact CB-CG2 3.7Å; L63-V65 PolarHBondContact O-N 3.4Å; V65-D67 PolarHBondContact O-N 3.02Å; V65-D67 VanDerWaalsContact O-N 3.16Å; V65-M83 HydrophobicContact CG1-SD 4.41Å; V65-M83 HydrophobicContact CG2-SD 4.45Å; V65-S177 WeakPolarHBondContact O-CB 3.49Å; V65-S177 PolarHBondContact O-OG 2.72Å; V65-A178 VanDerWaalsContact CG1-CA 3.5Å; V65-A178 HydrophobicContact CG1-CB 3.97Å; V65-I181 HydrophobicContact CG1-CD1 3.51Å; V65-I181 HydrophobicContact CG1-CG1 4.32Å
66A57.3Low79.5Confident55 Ų5568.8 Ų68.846%0.45537%0.37SS..G310 helixtrans-65.9-17.3-161.200000118.1K64 S177K64-A66 PolarHBondContact O-N 2.95Å; A66-S177 VanDerWaalsContact CA-OG 3.31Å; A66-S177 WeakPolarHBondContact CA-OG 3.38Å
67D59.4Low79.3Confident88 Ų8868.5 Ų68.547%0.47137%0.372SS..G310 helixtrans-114.948.5-176.4-164.813.2000113.4V65 K69 T70 L71V65-D67 PolarHBondContact O-N 3.02Å; V65-D67 VanDerWaalsContact O-N 3.16Å; D67-K69 PolarHBondContact O-N 2.82Å; D67-T70 PolarHBondContact O-N 3.15Å; D67-T70 PolarHBondContact O-OG1 3.39Å; D67-T70 PolarHBondContact OD1-OG1 2.8Å; D67-T70 WeakPolarHBondContact OD2-CG2 3.43Å; D67-T70 PolarHBondContact OD2-OG1 2.78Å; D67-L71 WeakPolarHBondContact O-CG 3.38Å
68S60.8Low79.2Confident4 Ų474.3 Ų74.33%0.02839%0.391CS..THydrogen-bonded Turntrans-60-11.9-176.366.90000116S180S68-S180 PolarHBondContact OG-OG 3.02Å
69K65.5Low79.2Confident123 Ų12371.7 Ų71.754%0.53537%0.367SS..THydrogen-bonded Turntrans-82.9-23.7-179-72.4176.2-179.7134.80113.6D67 D170D67-K69 PolarHBondContact O-N 2.82Å; K69-D170 WeakPolarHBondContact CE-OD2 3.19Å; K69-D170 IonicContact NZ-OD1 3.2Å; K69-D170 PolarHBondContact NZ-OD1 3.16Å; K69-D170 IonicContact NZ-OD2 2.7Å; K69-D170 PolarHBondContact NZ-OD2 3.36Å
70T69Low79.2Confident99 Ų9969.1 Ų69.161%0.60735%0.353SS*.THydrogen-bonded Turntrans-98.1-10.7177.859.80000112.7D67D67-T70 PolarHBondContact O-N 3.15Å; D67-T70 PolarHBondContact O-OG1 3.39Å; D67-T70 PolarHBondContact OD1-OG1 2.8Å; D67-T70 WeakPolarHBondContact OD2-CG2 3.43Å; D67-T70 PolarHBondContact OD2-OG1 2.78Å
71L80Confident79.3Confident38 Ų3871.7 Ų71.720%0.19937%0.371CS..  trans-71.6135.7-177.5-61.9-178000112.7D67 E75 R76 L79 I181D67-L71 WeakPolarHBondContact O-CG 3.38Å; L71-E75 HydrophobicContact CB-CB 4.23Å; L71-E75 HydrophobicContact CD2-CB 4.22Å; L71-R76 HydrophobicContact CB-CG 3.82Å; L71-R76 HydrophobicContact CD1-CG 4.23Å; L71-L79 HydrophobicContact CD1-CD1 3.39Å; L71-I181 HydrophobicContact CD1-CD1 4.23Å
72T86.9Confident79.5Confident77 Ų7770 Ų7047%0.47236%0.361SS..  trans-67.2162.3168.4630000111.2N74 E75 R76T72-N74 VanDerWaalsContact C-N 3.34Å; T72-N74 PolarHBondContact O-N 2.99Å; T72-E75 WeakPolarHBondContact CB-OE2 3.34Å; T72-E75 PolarHBondContact N-OE2 3.48Å; T72-E75 PolarHBondContact O-N 3.31Å; T72-E75 VanDerWaalsContact OG1-CD 3.25Å; T72-E75 VanDerWaalsContact OG1-CG 3.23Å; T72-E75 WeakPolarHBondContact OG1-CG 3.41Å; T72-E75 PolarHBondContact OG1-N 3.24Å; T72-E75 PolarHBondContact OG1-OE2 3.09Å; T72-R76 WeakPolarHBondContact O-CG 3.47Å; T72-R76 PolarHBondContact O-N 3.37Å
73E86.6Confident79.7Confident57 Ų5766.6 Ų66.627%0.26633%0.333SS..Hα-helixtrans-55.8-47.4176.2-175.8173.5-154.900112.2E75 R76 E77 K192E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 3.32Å; E73-R76 WeakPolarHBondContact O-CB 3.42Å; E73-R76 PolarHBondContact O-N 2.65Å; E73-R76 VanDerWaalsContact O-N 3.11Å; E73-E77 PolarHBondContact O-N 3.11Å; E73-K192 WeakPolarHBondContact OE1-CE 3.41Å; E73-K192 IonicContact OE1-NZ 2.97Å; E73-K192 PolarHBondContact OE1-NZ 3.44Å; E73-K192 IonicContact OE2-NZ 3.73Å; E73-K192 PolarHBondContact OE2-NZ 3.34Å
74N87.6Confident80.2Confident121 Ų12170.8 Ų70.865%0.64735%0.352SS*.Hα-helixtrans-61-36.8178.8-65.9-16000112.6T72 R78T72-N74 VanDerWaalsContact C-N 3.34Å; T72-N74 PolarHBondContact O-N 2.99Å; N74-R78 WeakPolarHBondContact O-CB 3.4Å; N74-R78 PolarHBondContact O-N 2.69Å
75E88.4Confident81.2Confident84 Ų8469.7 Ų69.739%0.39335%0.35SS..Hα-helixtrans-69-38.2176.5-73.8166.8140.900111.8L71 T72 E73 R78 L79L71-E75 HydrophobicContact CB-CB 4.23Å; L71-E75 HydrophobicContact CD2-CB 4.22Å; T72-E75 WeakPolarHBondContact CB-OE2 3.34Å; T72-E75 PolarHBondContact N-OE2 3.48Å; T72-E75 PolarHBondContact O-N 3.31Å; T72-E75 VanDerWaalsContact OG1-CD 3.25Å; T72-E75 VanDerWaalsContact OG1-CG 3.23Å; T72-E75 WeakPolarHBondContact OG1-CG 3.41Å; T72-E75 PolarHBondContact OG1-N 3.24Å; T72-E75 PolarHBondContact OG1-OE2 3.09Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 3.32Å; E75-R78 PolarHBondContact O-N 2.75Å; E75-L79 WeakPolarHBondContact O-CG 3.39Å; E75-L79 PolarHBondContact O-N 2.81Å
76R89.3Confident82.4Confident32 Ų3271.9 Ų71.912%0.12136%0.361CS..Hα-helixtrans-64.8-43174.9-71.1-175.1-74.8127.3-6.9111.5L71 T72 E73 L79 F80 I181 V185 D188L71-R76 HydrophobicContact CB-CG 3.82Å; L71-R76 HydrophobicContact CD1-CG 4.23Å; T72-R76 WeakPolarHBondContact O-CG 3.47Å; T72-R76 PolarHBondContact O-N 3.37Å; E73-R76 WeakPolarHBondContact O-CB 3.42Å; E73-R76 PolarHBondContact O-N 2.65Å; E73-R76 VanDerWaalsContact O-N 3.11Å; R76-L79 PolarHBondContact O-N 3.07Å; R76-F80 WeakPolarHBondContact O-CB 3.38Å; R76-F80 PolarHBondContact O-N 3.24Å; R76-I181 HydrophobicContact CB-CG2 4.27Å; R76-I181 WeakPolarHBondContact O-CG2 3.13Å; R76-V185 HydrophobicContact CB-CG2 3.7Å; R76-D188 IonicContact CZ-OD2 2.56Å; R76-D188 IonicContact NH1-OD2 2.86Å; R76-D188 PolarHBondContact NH1-OD2 3.01Å; R76-D188 IonicContact NH2-OD2 3.82Å; R76-D188 PolarHBondContact NH2-OD2 3.45Å
77E89.2Confident83.8Confident81 Ų8170.6 Ų70.638%0.37935%0.353SS..Hα-helixtrans-61.6-43.8174-72-177.2-17700111.8E73 L79 F80 S81 V185E73-E77 PolarHBondContact O-N 3.11Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.49Å; E77-F80 WeakPolarHBondContact O-CB 3.38Å; E77-F80 PolarHBondContact O-N 2.97Å; E77-S81 PolarHBondContact O-N 2.97Å; E77-S81 PolarHBondContact O-OG 2.93Å; E77-V185 HydrophobicContact CG-CG1 4.29Å
78R90.1Very high85.4Confident173 Ų17372.9 Ų72.965%0.65337%0.366SS*.Hα-helixtrans-60.9-42.4176.4-169.1-174.675.8116.5-0.4112.2N74 E75 S81 K82N74-R78 WeakPolarHBondContact O-CB 3.4Å; N74-R78 PolarHBondContact O-N 2.69Å; E75-R78 PolarHBondContact O-N 2.75Å; R78-S81 PolarHBondContact O-N 3.38Å; R78-K82 WeakPolarHBondContact O-CB 3.3Å; R78-K82 PolarHBondContact O-N 3.46Å
79L90Very high87Confident11 Ų1173.1 Ų73.16%0.05837%0.366CS..Hα-helixtrans-68.5-37.9177.2-73.8172.9000112L71 E75 R76 E77 K82 M83 I181L71-L79 HydrophobicContact CD1-CD1 3.39Å; E75-L79 WeakPolarHBondContact O-CG 3.39Å; E75-L79 PolarHBondContact O-N 2.81Å; R76-L79 PolarHBondContact O-N 3.07Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.49Å; L79-K82 PolarHBondContact O-N 3.03Å; L79-M83 HydrophobicContact CB-CE 4.4Å; L79-M83 WeakPolarHBondContact O-CE 3.11Å; L79-M83 WeakPolarHBondContact O-CG 3.49Å; L79-M83 PolarHBondContact O-N 3.42Å; L79-I181 HydrophobicContact CB-CD1 3.97Å; L79-I181 HydrophobicContact CB-CG2 4.45Å; L79-I181 HydrophobicContact CD1-CD1 3.56Å; L79-I181 HydrophobicContact CG-CD1 4.41Å
80F90.5Very high88.4Confident17 Ų1767.3 Ų67.38%0.07534%0.341CS..Hα-helixtrans-56.3-52.9172-178.9-71.4000110.5M1 R76 E77 K82 M83 E84 W92 F182 V185M1-F80 HydrophobicContact CE-CD2 4.13Å; M1-F80 HydrophobicContact CE-CE2 3.35Å; M1-F80 HydrophobicContact CE-CZ 3.64Å; R76-F80 WeakPolarHBondContact O-CB 3.38Å; R76-F80 PolarHBondContact O-N 3.24Å; E77-F80 WeakPolarHBondContact O-CB 3.38Å; E77-F80 PolarHBondContact O-N 2.97Å; F80-K82 VanDerWaalsContact C-N 3.3Å; F80-K82 PolarHBondContact O-N 2.81Å; F80-M83 PolarHBondContact O-N 3.41Å; F80-M83 VanDerWaalsContact O-N 3.16Å; F80-E84 PolarHBondContact O-N 2.87Å; F80-W92 HydrophobicContact CZ-CZ2 4.07Å; F80-F182 AromaticContact CD2-CD1 3.36Å; F80-F182 HydrophobicContact CD2-CD1 3.36Å; F80-F182 AromaticContact CD2-CE1 3.77Å; F80-F182 HydrophobicContact CD2-CE1 3.77Å; F80-F182 HydrophobicContact CD2-CG 4.48Å; F80-F182 AromaticContact CE2-CD1 3.36Å; F80-F182 HydrophobicContact CE2-CD1 3.36Å; F80-F182 AromaticContact CE2-CE1 3.85Å; F80-F182 HydrophobicContact CE2-CE1 3.85Å; F80-F182 HydrophobicContact CE2-CG 4.5Å; F80-F182 HydrophobicContact CG-CD1 4.25Å; F80-F182 HydrophobicContact CG-CE1 4.25Å; F80-F182 HydrophobicContact CZ-CD1 4.22Å; F80-F182 HydrophobicContact CZ-CE1 4.35Å; F80-V185 HydrophobicContact CB-CG1 4.43Å; F80-V185 HydrophobicContact CB-CG2 4.28Å; F80-V185 HydrophobicContact CD2-CB 4.04Å; F80-V185 HydrophobicContact CD2-CG1 3.93Å; F80-V185 HydrophobicContact CD2-CG2 4.45Å; F80-V185 HydrophobicContact CG-CG1 4.23Å
81S90.8Very high89.7Confident54 Ų5462.6 Ų62.638%0.37831%0.312SS..Hα-helixtrans-60.7-39.6179.5-64.50000112.2E77 R78 M83 E84 E85E77-S81 PolarHBondContact O-N 2.97Å; E77-S81 PolarHBondContact O-OG 2.93Å; R78-S81 PolarHBondContact O-N 3.38Å; S81-M83 PolarHBondContact O-N 2.55Å; S81-E84 WeakPolarHBondContact O-CB 3.5Å; S81-E84 PolarHBondContact O-N 3.44Å; S81-E85 WeakPolarHBondContact O-CG 3.23Å; S81-E85 PolarHBondContact O-N 3.47Å
82K90.1Very high90.6Very high84 Ų8461.6 Ų61.637%0.36531%0.306SS..Hα-helixtrans-63.1-42.4176-167.7176.8-176-162.70112.6L63 R78 L79 F80 E84 E85 D86L63-K82 HydrophobicContact CD2-CD 3.8Å; L63-K82 HydrophobicContact CD2-CG 4.27Å; R78-K82 WeakPolarHBondContact O-CB 3.3Å; R78-K82 PolarHBondContact O-N 3.46Å; L79-K82 PolarHBondContact O-N 3.03Å; F80-K82 VanDerWaalsContact C-N 3.3Å; F80-K82 PolarHBondContact O-N 2.81Å; K82-E84 VanDerWaalsContact C-N 3.27Å; K82-E84 PolarHBondContact O-N 2.69Å; K82-E85 WeakPolarHBondContact O-CB 3.45Å; K82-E85 PolarHBondContact O-N 3.45Å; K82-D86 WeakPolarHBondContact O-CB 3.22Å; K82-D86 PolarHBondContact O-N 3.07Å
83M90.1Very high91.1Very high2 Ų258 Ų581%0.0128%0.284CS..Hα-helixtrans-68.6-27.5176.2-69.3-177.4-76.700112.6L63 V65 L79 F80 S81 D86 A178 I181 F182L63-M83 HydrophobicContact CD1-CG 4.14Å; V65-M83 HydrophobicContact CG1-SD 4.41Å; V65-M83 HydrophobicContact CG2-SD 4.45Å; L79-M83 HydrophobicContact CB-CE 4.4Å; L79-M83 WeakPolarHBondContact O-CE 3.11Å; L79-M83 WeakPolarHBondContact O-CG 3.49Å; L79-M83 PolarHBondContact O-N 3.42Å; F80-M83 PolarHBondContact O-N 3.41Å; F80-M83 VanDerWaalsContact O-N 3.16Å; S81-M83 PolarHBondContact O-N 2.55Å; M83-D86 CarbonylContact O-C 3.53Å; M83-A178 HydrophobicContact SD-CB 3.62Å; M83-I181 HydrophobicContact CE-CB 4.08Å; M83-I181 HydrophobicContact CE-CD1 4.27Å; M83-I181 HydrophobicContact CE-CG2 3.88Å; M83-F182 HydrophobicContact CB-CE1 4.26Å; M83-F182 HydrophobicContact CB-CZ 3.66Å; M83-F182 HydrophobicContact CE-CE1 4.2Å; M83-F182 HydrophobicContact CE-CE2 4.16Å; M83-F182 HydrophobicContact CE-CZ 3.92Å; M83-F182 HydrophobicContact CG-CZ 4.36Å; M83-F182 HydrophobicContact SD-CE2 3.92Å; M83-F182 HydrophobicContact SD-CZ 3.85Å
84E88.8Confident91.5Very high107 Ų10755.3 Ų55.350%0.527%0.271SS..Hα-helixtrans-73.3-38.1172.6-168.7173.2-137.600111.9F80 S81 K82 D86 G87F80-E84 PolarHBondContact O-N 2.87Å; S81-E84 WeakPolarHBondContact O-CB 3.5Å; S81-E84 PolarHBondContact O-N 3.44Å; K82-E84 VanDerWaalsContact C-N 3.27Å; K82-E84 PolarHBondContact O-N 2.69Å; E84-D86 VanDerWaalsContact C-N 3.32Å; E84-G87 PolarHBondContact O-N 3.03Å; E84-G87 VanDerWaalsContact O-N 3.15Å
85E89.9Confident91.9Very high155 Ų15549.5 Ų49.572%0.72424%0.24SC*.Hα-helixtrans-62.9-38.6170.6-72.6173-169.800111.7S81 K82 G87S81-E85 WeakPolarHBondContact O-CG 3.23Å; S81-E85 PolarHBondContact O-N 3.47Å; K82-E85 WeakPolarHBondContact O-CB 3.45Å; K82-E85 PolarHBondContact O-N 3.45Å; E85-G87 PolarHBondContact O-N 3.36Å; E85-G87 VanDerWaalsContact O-N 3.13Å
86D89.4Confident92.3Very high47 Ų4745.5 Ų45.525%0.25122%0.221SC..THydrogen-bonded Turntrans-77.818.2173.8-72.3-37.9000113.2L63 K82 M83 E84 D88 F89 V90L63-D86 WeakPolarHBondContact CD1-OD2 3.43Å; L63-D86 WeakPolarHBondContact CD2-OD2 3.44Å; K82-D86 WeakPolarHBondContact O-CB 3.22Å; K82-D86 PolarHBondContact O-N 3.07Å; M83-D86 CarbonylContact O-C 3.53Å; E84-D86 VanDerWaalsContact C-N 3.32Å; D86-D88 PolarHBondContact O-N 2.97Å; D86-F89 HydrophobicContact CB-CD1 4.39Å; D86-F89 HydrophobicContact CB-CE1 3.62Å; D86-F89 HydrophobicContact CB-CZ 4.07Å; D86-F89 WeakPolarHBondContact O-CD1 3.33Å; D86-F89 PolarHBondContact O-N 3.31Å; D86-F89 VanDerWaalsContact O-N 3.12Å; D86-V90 HydrophobicContact CB-CG2 4.28Å; D86-V90 PolarHBondContact O-N 2.78Å
87G88.6Confident92.5Very high28 Ų2844 Ų4429%0.28922%0.216SC..THydrogen-bonded Turntrans-61.6-6.6-17900000115.5P21 E84 E85 F89 V90P21-G87 WeakPolarHBondContact CG-O 3.36Å; E84-G87 PolarHBondContact O-N 3.03Å; E84-G87 VanDerWaalsContact O-N 3.15Å; E85-G87 PolarHBondContact O-N 3.36Å; E85-G87 VanDerWaalsContact O-N 3.13Å; G87-F89 PolarHBondContact O-N 3.31Å; G87-V90 WeakPolarHBondContact CA-O 3.19Å
88D92Very high92.8Very high137 Ų13740.1 Ų40.173%0.73320%0.198SC*.THydrogen-bonded Turntrans-66.7-22171.4-71.3-23.2000112.8P21 D86P21-D88 WeakPolarHBondContact CB-O 3.44Å; D86-D88 PolarHBondContact O-N 2.97Å
89F94.1Very high93Very high8 Ų831.9 Ų31.94%0.03517%0.167CC..THydrogen-bonded Turntrans-139.6-16.617874.2-82.7000114.6C52 P53 R56 D59 D86 G87C52-F89 HydrophobicContact CB-CD2 4.28Å; P53-F89 WeakPolarHBondContact CD-O 3.45Å; R56-F89 HydrophobicContact CB-CD2 3.64Å; R56-F89 HydrophobicContact CB-CE2 4.06Å; R56-F89 HydrophobicContact CB-CG 4.36Å; R56-F89 HydrophobicContact CG-CB 4.4Å; R56-F89 HydrophobicContact CG-CD2 4.19Å; R56-F89 HydrophobicContact CG-CG 4.45Å; D59-F89 HydrophobicContact CB-CE2 4.27Å; D59-F89 HydrophobicContact CB-CZ 4.12Å; D86-F89 HydrophobicContact CB-CD1 4.39Å; D86-F89 HydrophobicContact CB-CE1 3.62Å; D86-F89 HydrophobicContact CB-CZ 4.07Å; D86-F89 WeakPolarHBondContact O-CD1 3.33Å; D86-F89 PolarHBondContact O-N 3.31Å; D86-F89 VanDerWaalsContact O-N 3.12Å; G87-F89 PolarHBondContact O-N 3.31Å
90V95.6Very high93.2Very high1 Ų132.5 Ų32.51%0.00617%0.17CC..  trans-97.5125.9175.1-176.30000109.5L60 D86 G87L60-V90 HydrophobicContact CD1-CG2 4.32Å; D86-V90 HydrophobicContact CB-CG2 4.28Å; D86-V90 PolarHBondContact O-N 2.78Å; G87-V90 WeakPolarHBondContact CA-O 3.19Å
91G96.8Very high93.4Very high0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-118.7150.6171.300000111.5S18 C50 Y51S18-G91 WeakPolarHBondContact OG-CA 3.44Å; C50-G91 CarbonylContact C-O 3.48Å; C50-G91 WeakPolarHBondContact CA-O 3.45Å; Y51-G91 WeakPolarHBondContact CD1-O 3.49Å; Y51-G91 VanDerWaalsContact CE1-C 3.5Å; Y51-G91 PolarHBondContact N-O 2.98Å; Y51-G91 PolarHBondContact O-N 2.84Å
92W97.3Very high93.6Very high18 Ų1830.2 Ų30.27%0.06815%0.154CC..EExtended strand (participates in β ladder)trans-143.1155.4179.260.7-97.8000112.2L16 S17 S18 I49 F80 L94 F182L16-W92 HydrophobicContact CB-CH2 4.44Å; L16-W92 HydrophobicContact CB-CZ3 4.06Å; S17-W92 WeakPolarHBondContact CA-O 3.28Å; S17-W92 WeakPolarHBondContact CB-O 3.11Å; S18-W92 PolarHBondContact N-O 2.89Å; S18-W92 PolarHBondContact OG-N 3.48Å; S18-W92 PolarHBondContact OG-O 3.07Å; I49-W92 VanDerWaalsContact O-CA 3.23Å; I49-W92 WeakPolarHBondContact O-CA 3.44Å; I49-W92 WeakPolarHBondContact O-CB 3.22Å; F80-W92 HydrophobicContact CZ-CZ2 4.07Å; W92-L94 HydrophobicContact CE3-CD1 4.11Å; W92-L94 HydrophobicContact CE3-CG 3.84Å; W92-L94 HydrophobicContact CZ3-CD1 3.74Å; W92-L94 HydrophobicContact CZ3-CG 3.85Å; W92-F182 HydrophobicContact CB-CD1 4.48Å; W92-F182 HydrophobicContact CB-CD2 3.97Å; W92-F182 HydrophobicContact CB-CE1 4.33Å; W92-F182 HydrophobicContact CB-CE2 3.78Å; W92-F182 HydrophobicContact CB-CG 4.35Å; W92-F182 HydrophobicContact CB-CZ 3.97Å; W92-F182 AromaticContact CD1-CE1 3.67Å; W92-F182 AromaticContact CD1-CZ 3.6Å; W92-F182 HydrophobicContact CD2-CE1 4.44Å; W92-F182 HydrophobicContact CG-CD1 4.22Å; W92-F182 AromaticContact CG-CE1 3.91Å; W92-F182 HydrophobicContact CG-CE1 3.91Å; W92-F182 HydrophobicContact CG-CE2 4.21Å; W92-F182 AromaticContact CG-CZ 3.9Å; W92-F182 HydrophobicContact CG-CZ 3.9Å
93A97.6Very high93.8Very high1 Ų126.4 Ų26.41%0.00814%0.138CC..EExtended strand (participates in β ladder)trans-145.4151.1167.900000110.6L16 A48 I49 L125 Y128L16-A93 CarbonylContact O-C 3.55Å; L16-A93 WeakPolarHBondContact O-CA 3.43Å; A48-A93 CarbonylContact C-O 3.54Å; A48-A93 WeakPolarHBondContact CA-O 3.47Å; I49-A93 HydrophobicContact CD1-CB 3.96Å; I49-A93 HydrophobicContact CG1-CB 3.69Å; I49-A93 WeakPolarHBondContact CG1-O 3.48Å; I49-A93 PolarHBondContact N-O 3.28Å; I49-A93 PolarHBondContact O-N 3.12Å; A93-L125 HydrophobicContact CB-CD2 4.26Å; A93-Y128 HydrophobicContact CB-CD1 3.91Å; A93-Y128 HydrophobicContact CB-CE1 3.86Å
94L96.5Very high94Very high0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-132.5138.5-175-61.2175.1000109.2M1 R15 L16 V46 Y47 A48 W92 F182 A186M1-L94 HydrophobicContact SD-CD1 3.88Å; R15-L94 CarbonylContact C-O 3.44Å; R15-L94 VanDerWaalsContact CA-O 3.28Å; R15-L94 WeakPolarHBondContact CA-O 3.43Å; L16-L94 HydrophobicContact CB-CB 4.38Å; L16-L94 PolarHBondContact N-O 3.28Å; L16-L94 PolarHBondContact O-N 2.76Å; V46-L94 HydrophobicContact CG1-CD2 4.36Å; Y47-L94 CarbonylContact O-C 3.48Å; Y47-L94 VanDerWaalsContact O-CA 3.25Å; Y47-L94 WeakPolarHBondContact O-CA 3.41Å; A48-L94 HydrophobicContact CB-CD2 3.23Å; W92-L94 HydrophobicContact CE3-CD1 4.11Å; W92-L94 HydrophobicContact CE3-CG 3.84Å; W92-L94 HydrophobicContact CZ3-CD1 3.74Å; W92-L94 HydrophobicContact CZ3-CG 3.85Å; L94-F182 HydrophobicContact CD2-CB 3.91Å; L94-A186 HydrophobicContact CD1-CB 3.58Å
95D96Very high94.3Very high0 Ų026.1 Ų26.10%015%0.145CC..EExtended strand (participates in β ladder)trans-114.8118.5162.5-89.3-8.4000108.2R15 V46 Y47 T121 L125R15-D95 VanDerWaalsContact CB-OD1 3.31Å; R15-D95 WeakPolarHBondContact CB-OD1 3.48Å; R15-D95 WeakPolarHBondContact CG-OD1 3.25Å; R15-D95 IonicContact CZ-OD1 3.68Å; R15-D95 IonicContact CZ-OD2 2.69Å; R15-D95 IonicContact NE-OD1 3.67Å; R15-D95 PolarHBondContact NE-OD1 3.47Å; R15-D95 IonicContact NE-OD2 3.51Å; R15-D95 IonicContact NH2-OD1 2.81Å; R15-D95 PolarHBondContact NH2-OD1 2.96Å; R15-D95 IonicContact NH2-OD2 2.75Å; R15-D95 PolarHBondContact NH2-OD2 2.78Å; V46-D95 WeakPolarHBondContact CA-O 3.36Å; Y47-D95 PolarHBondContact N-O 3.27Å; Y47-D95 PolarHBondContact O-N 2.85Å; D95-T121 HydrophobicContact CB-CG2 3.85Å; D95-L125 HydrophobicContact CB-CD1 4.12Å; D95-L125 HydrophobicContact CB-CD2 4.04Å; D95-L125 HydrophobicContact CB-CG 4.13Å
96I95.3Very high94.5Very high0 Ų021.3 Ų21.30%012%0.123CC..EExtended strand (participates in β ladder)trans-99.6110.1175.5-55.2170.4000107.7L3 L6 R13 C14 L16 P44 V46L3-I96 HydrophobicContact CD2-CD1 3.31Å; L6-I96 HydrophobicContact CD1-CB 3.99Å; L6-I96 HydrophobicContact CD1-CD1 4.27Å; L6-I96 HydrophobicContact CD1-CG2 3.47Å; L6-I96 VanDerWaalsContact CD1-CG2 3.47Å; R13-I96 WeakPolarHBondContact CA-O 3.37Å; C14-I96 PolarHBondContact N-O 3.4Å; C14-I96 PolarHBondContact O-N 2.92Å; L16-I96 HydrophobicContact CD1-CD1 4.08Å; P44-I96 HydrophobicContact CB-CG2 3.69Å; P44-I96 HydrophobicContact CG-CG2 4.11Å; V46-I96 HydrophobicContact CG1-CG1 4.07Å; V46-I96 HydrophobicContact CG2-CB 4.43Å; V46-I96 HydrophobicContact CG2-CG1 4.06Å; V46-I96 HydrophobicContact CG2-CG2 4.1Å
97L95.1Very high94.7Very high0 Ų023.3 Ų23.30%013%0.133CC..EExtended strand (participates in β ladder)trans-91122.1178.7-60.985.7000109.3P44 M45 Y47 L101 I102 L117 T121P44-L97 CarbonylContact C-O 3.59Å; P44-L97 WeakPolarHBondContact CA-O 3.47Å; P44-L97 WeakPolarHBondContact CB-O 3.31Å; M45-L97 HydrophobicContact CB-CB 4.49Å; M45-L97 HydrophobicContact CE-CD1 4.49Å; M45-L97 HydrophobicContact CE-CD2 4.03Å; M45-L97 PolarHBondContact N-O 3.09Å; M45-L97 WeakPolarHBondContact O-CB 3.43Å; M45-L97 VanDerWaalsContact O-CD1 3.24Å; M45-L97 WeakPolarHBondContact O-CD1 3.35Å; M45-L97 PolarHBondContact O-N 3.48Å; Y47-L97 HydrophobicContact CD2-CD1 4.11Å; L97-L101 HydrophobicContact CB-CD2 4.19Å; L97-L101 HydrophobicContact CD2-CD2 4.24Å; L97-L101 HydrophobicContact CG-CD2 4.27Å; L97-I102 HydrophobicContact CB-CD1 4.45Å; L97-I102 HydrophobicContact CB-CG1 4.28Å; L97-L117 HydrophobicContact CD2-CD1 3.87Å; L97-L117 HydrophobicContact CD2-CD2 4Å; L97-L117 HydrophobicContact CD2-CG 3.86Å; L97-T121 HydrophobicContact CD1-CG2 3.77Å; L97-T121 HydrophobicContact CD2-CG2 4.41Å; L97-T121 HydrophobicContact CG-CG2 4.44Å
98S94.3Very high94.8Very high0 Ų023.5 Ų23.50%014%0.135CC..  trans-65.2152.4177.472.90000112.1N10 G12 N100 L101 I102N10-S98 WeakPolarHBondContact O-CB 3.45Å; N10-S98 PolarHBondContact O-OG 3.49Å; N10-S98 WeakPolarHBondContact OD1-CB 3.32Å; G12-S98 PolarHBondContact O-OG 3.15Å; S98-N100 PolarHBondContact O-N 3.13Å; S98-L101 PolarHBondContact O-N 2.77Å; S98-L101 WeakPolarHBondContact OG-CB 3.31Å; S98-L101 PolarHBondContact OG-N 2.67Å; S98-I102 VanDerWaalsContact O-CG1 3.31Å; S98-I102 WeakPolarHBondContact O-CG1 3.33Å; S98-I102 PolarHBondContact O-N 3.37Å; S98-I102 VanDerWaalsContact O-N 3.09Å
99P94.4Very high94.7Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-58.3-31.1171.66.9-3.1000112.3I102 S103 W194 Q233 F234 R236P99-I102 PolarHBondContact O-N 3.06Å; P99-S103 WeakPolarHBondContact O-CB 3.28Å; P99-S103 PolarHBondContact O-N 3.2Å; P99-S103 PolarHBondContact O-OG 2.85Å; P99-W194 HydrophobicContact CG-CH2 3.79Å; P99-W194 HydrophobicContact CG-CZ2 3.96Å; P99-Q233 WeakPolarHBondContact CB-O 3.37Å; P99-Q233 WeakPolarHBondContact CG-O 3.4Å; P99-F234 WeakPolarHBondContact CB-O 3.5Å; P99-F234 HydrophobicContact CG-CD2 4.37Å; P99-F234 WeakPolarHBondContact CG-O 3.4Å; P99-R236 HydrophobicContact CB-CG 3.65Å
100N94Very high94.6Very high23 Ų2331.8 Ų31.812%0.12317%0.169CC..Hα-helixtrans-69.2-43.2175.4-172.536.6000112.6N10 S98 I102 S103 T104 Q233N10-N100 WeakPolarHBondContact O-CB 3.26Å; S98-N100 PolarHBondContact O-N 3.13Å; N100-I102 VanDerWaalsContact C-N 3.29Å; N100-I102 PolarHBondContact O-N 3.03Å; N100-S103 PolarHBondContact O-N 3.45Å; N100-T104 WeakPolarHBondContact O-CB 3.11Å; N100-T104 WeakPolarHBondContact O-CG2 3.25Å; N100-T104 PolarHBondContact O-N 3.31Å; N100-T104 PolarHBondContact O-OG1 3.05Å; N100-Q233 HydrophobicContact CB-CB 4.46Å
101L94.6Very high94.3Very high23 Ų2341.5 Ų41.512%0.1221%0.212CC..Hα-helixtrans-58.2-44.9172.7175.963.8000110.5R13 L97 S98 S103 T104 S105R13-L101 HydrophobicContact CB-CD2 4.15Å; L97-L101 HydrophobicContact CB-CD2 4.19Å; L97-L101 HydrophobicContact CD2-CD2 4.24Å; L97-L101 HydrophobicContact CG-CD2 4.27Å; S98-L101 PolarHBondContact O-N 2.77Å; S98-L101 WeakPolarHBondContact OG-CB 3.31Å; S98-L101 PolarHBondContact OG-N 2.67Å; L101-S103 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 3.29Å; L101-T104 WeakPolarHBondContact CA-OG1 3.32Å; L101-T104 PolarHBondContact O-OG1 3.26Å; L101-S105 WeakPolarHBondContact O-CB 3.48Å; L101-S105 PolarHBondContact O-N 3.2Å; L101-S105 PolarHBondContact O-OG 3.45Å
102I95.5Very high94.1Very high0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-62.3-43.1178.6-60164.2000110.5M45 L97 S98 P99 N100 M106 L114 L117 W239M45-I102 HydrophobicContact CB-CD1 3.67Å; L97-I102 HydrophobicContact CB-CD1 4.45Å; L97-I102 HydrophobicContact CB-CG1 4.28Å; S98-I102 VanDerWaalsContact O-CG1 3.31Å; S98-I102 WeakPolarHBondContact O-CG1 3.33Å; S98-I102 PolarHBondContact O-N 3.37Å; S98-I102 VanDerWaalsContact O-N 3.09Å; P99-I102 PolarHBondContact O-N 3.06Å; N100-I102 VanDerWaalsContact C-N 3.29Å; N100-I102 PolarHBondContact O-N 3.03Å; I102-M106 HydrophobicContact CG2-SD 3.92Å; I102-M106 WeakPolarHBondContact O-CB 3.37Å; I102-M106 VanDerWaalsContact O-CG 3.31Å; I102-M106 WeakPolarHBondContact O-CG 3.4Å; I102-M106 PolarHBondContact O-N 3.37Å; I102-M106 VanDerWaalsContact O-N 3.11Å; I102-L114 HydrophobicContact CG2-CD1 4.17Å; I102-L117 HydrophobicContact CB-CD2 4.36Å; I102-L117 HydrophobicContact CG1-CD2 4.03Å; I102-L117 HydrophobicContact CG2-CD2 4.3Å; I102-W239 HydrophobicContact CG2-CH2 3.86Å; I102-W239 HydrophobicContact CG2-CZ3 3.51Å
103S95.1Very high93.9Very high4 Ų447.8 Ų47.83%0.02824%0.242CC..Hα-helixtrans-64.5-54.4179.9-60.40000111.9P99 N100 L101 S105 M106 L107 R236 F237P99-S103 WeakPolarHBondContact O-CB 3.28Å; P99-S103 PolarHBondContact O-N 3.2Å; P99-S103 PolarHBondContact O-OG 2.85Å; N100-S103 PolarHBondContact O-N 3.45Å; L101-S103 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 3.29Å; S103-S105 VanDerWaalsContact C-N 3.31Å; S103-S105 PolarHBondContact O-N 2.94Å; S103-M106 PolarHBondContact O-N 3.03Å; S103-L107 VanDerWaalsContact O-CB 3.3Å; S103-L107 WeakPolarHBondContact O-CB 3.48Å; S103-L107 WeakPolarHBondContact O-CG 3.44Å; S103-L107 PolarHBondContact O-N 3.3Å; S103-R236 WeakPolarHBondContact OG-CA 3.44Å; S103-F237 PolarHBondContact OG-N 3.48Å
104T94.1Very high93.7Very high76 Ų7649 Ų4947%0.46625%0.248SC..Hα-helixtrans-63.3-36.4-179.252.10000112.4N100 L101 G108N100-T104 WeakPolarHBondContact O-CB 3.11Å; N100-T104 WeakPolarHBondContact O-CG2 3.25Å; N100-T104 PolarHBondContact O-N 3.31Å; N100-T104 PolarHBondContact O-OG1 3.05Å; L101-T104 WeakPolarHBondContact CA-OG1 3.32Å; L101-T104 PolarHBondContact O-OG1 3.26Å; T104-G108 PolarHBondContact O-N 3.25Å
105S94.3Very high93.4Very high27 Ų2752.8 Ų52.819%0.18927%0.269CS..Hα-helixtrans-66.4-43.2176.2-61.20000111.7L101 S103L101-S105 WeakPolarHBondContact O-CB 3.48Å; L101-S105 PolarHBondContact O-N 3.2Å; L101-S105 PolarHBondContact O-OG 3.45Å; S103-S105 VanDerWaalsContact C-N 3.31Å; S103-S105 PolarHBondContact O-N 2.94Å
106M94.4Very high93.3Very high54 Ų5454 Ų5427%0.26628%0.277SS..Hα-helixtrans-81.3-29.5-176.4-69.9-178.566.200114.2I102 S103 Y112 L114 S238 W239I102-M106 HydrophobicContact CG2-SD 3.92Å; I102-M106 WeakPolarHBondContact O-CB 3.37Å; I102-M106 VanDerWaalsContact O-CG 3.31Å; I102-M106 WeakPolarHBondContact O-CG 3.4Å; I102-M106 PolarHBondContact O-N 3.37Å; I102-M106 VanDerWaalsContact O-N 3.11Å; S103-M106 PolarHBondContact O-N 3.03Å; M106-Y112 WeakPolarHBondContact CA-O 3.37Å; M106-Y112 WeakPolarHBondContact CG-O 3.31Å; M106-L114 HydrophobicContact CE-CB 4.14Å; M106-L114 HydrophobicContact SD-CB 3.98Å; M106-L114 HydrophobicContact SD-CD1 4.22Å; M106-S238 PolarHBondContact SD-OG 3.19Å; M106-S238 VanDerWaalsContact SD-OG 3.37Å; M106-W239 HydrophobicContact SD-CZ3 4.19Å
107L93.4Very high93.2Very high89 Ų8954.1 Ų54.147%0.46628%0.278SS..SBendtrans-9710.3179.7-62.7171.5000112.8S103 F237S103-L107 VanDerWaalsContact O-CB 3.3Å; S103-L107 WeakPolarHBondContact O-CB 3.48Å; S103-L107 WeakPolarHBondContact O-CG 3.44Å; S103-L107 PolarHBondContact O-N 3.3Å; L107-F237 HydrophobicContact CD1-CB 3.67Å
108G91.4Very high93.1Very high32 Ų3254.1 Ų54.133%0.3328%0.278SS..SBendtrans-70.7161.4175.500000112.8T104 V110T104-G108 PolarHBondContact O-N 3.25Å; G108-V110 PolarHBondContact O-N 2.86Å; G108-V110 VanDerWaalsContact O-N 3.13Å
109R89.6Confident93Very high195 Ų19555.5 Ų55.574%0.73628%0.284SS*.SBendtrans-53-35.8178.5-64.9-178.7179.5-146.9-9.5113.2E256R109-E256 IonicContact CZ-OE2 2.74Å; R109-E256 IonicContact NH1-OE2 2.77Å; R109-E256 IonicContact NH2-OE2 3.41Å; R109-E256 PolarHBondContact NH2-OE2 3.42Å
110V91.6Very high93Very high124 Ų12459 Ų5975%0.75230%0.303SS*.SBendtrans-96.7120.5174.2-179.60000108.2G108 Y112G108-V110 PolarHBondContact O-N 2.86Å; G108-V110 VanDerWaalsContact O-N 3.13Å; V110-Y112 PolarHBondContact O-N 3.44Å
111K88.4Confident93.1Very high205 Ų20558 Ų5889%0.89130%0.297SS*.  trans-58.3112.5-179.9-68-174178.2-177.60110.7
112Y93.4Very high93.1Very high66 Ų6656.9 Ų56.926%0.25929%0.291SS..  trans-127.5100.3175.4-175.2-111.6000109.9M106 V110 S116 L117 D120M106-Y112 WeakPolarHBondContact CA-O 3.37Å; M106-Y112 WeakPolarHBondContact CG-O 3.31Å; V110-Y112 PolarHBondContact O-N 3.44Å; Y112-S116 PolarHBondContact OH-O 3.25Å; Y112-L117 HydrophobicContact CD1-CB 4.25Å; Y112-L117 HydrophobicContact CE1-CB 3.55Å; Y112-L117 HydrophobicContact CE1-CD1 3.74Å; Y112-L117 HydrophobicContact CE1-CG 4.21Å; Y112-L117 VanDerWaalsContact OH-CA 3.3Å; Y112-L117 WeakPolarHBondContact OH-CA 3.18Å; Y112-L117 PolarHBondContact OH-N 2.98Å; Y112-D120 WeakPolarHBondContact CE2-OD2 3.24Å; Y112-D120 WeakPolarHBondContact OH-CB 3.42Å; Y112-D120 PolarHBondContact OH-OD2 2.72Å
113N92.6Very high93.1Very high85 Ų8557 Ų5746%0.45529%0.292SS..  trans-78.1164-172.461.748.7000112.8N115 S116 L117N113-N115 PolarHBondContact O-N 2.85Å; N113-N115 WeakPolarHBondContact OD1-CB 3.45Å; N113-N115 PolarHBondContact OD1-N 3.18Å; N113-S116 PolarHBondContact O-N 3.23Å; N113-S116 WeakPolarHBondContact OD1-CB 3.41Å; N113-S116 PolarHBondContact OD1-N 3.31Å; N113-S116 PolarHBondContact OD1-OG 3.49Å; N113-L117 PolarHBondContact O-N 3.47Å; N113-L117 VanDerWaalsContact O-N 3.07Å
114L92.9Very high93.2Very high26 Ų2657.5 Ų57.514%0.13630%0.299CS..Hα-helixtrans-58.2-34.2-179.3-171.162.8000113.1R38 M45 I102 M106 S116 L117 S118 W239R38-L114 HydrophobicContact CG-CD2 4.15Å; M45-L114 HydrophobicContact CE-CD1 3.94Å; M45-L114 HydrophobicContact SD-CD1 4.2Å; I102-L114 HydrophobicContact CG2-CD1 4.17Å; M106-L114 HydrophobicContact CE-CB 4.14Å; M106-L114 HydrophobicContact SD-CB 3.98Å; M106-L114 HydrophobicContact SD-CD1 4.22Å; L114-S116 VanDerWaalsContact C-N 3.34Å; L114-S116 PolarHBondContact O-N 3.01Å; L114-L117 HydrophobicContact CD1-CD2 4.36Å; L114-L117 PolarHBondContact O-N 3.43Å; L114-S118 VanDerWaalsContact O-CB 3.28Å; L114-S118 WeakPolarHBondContact O-CB 3.48Å; L114-S118 PolarHBondContact O-N 3.16Å; L114-S118 PolarHBondContact O-OG 2.74Å; L114-W239 HydrophobicContact CD1-CH2 4.32Å; L114-W239 HydrophobicContact CD2-CH2 4.07Å; L114-W239 HydrophobicContact CD2-CZ2 4.33Å
115N92.2Very high93.4Very high79 Ų7953.9 Ų53.942%0.42228%0.277SS..Hα-helixtrans-62.9-42176-70.4-24.2000111.8R38 N113 S118 H119R38-N115 PolarHBondContact NH2-OD1 2.9Å; N113-N115 PolarHBondContact O-N 2.85Å; N113-N115 WeakPolarHBondContact OD1-CB 3.45Å; N113-N115 PolarHBondContact OD1-N 3.18Å; N115-S118 WeakPolarHBondContact O-CB 3.24Å; N115-S118 PolarHBondContact O-N 3.07Å; N115-H119 WeakPolarHBondContact O-CB 3.46Å; N115-H119 PolarHBondContact O-CD2 3.17Å; N115-H119 VanDerWaalsContact O-CD2 3.27Å; N115-H119 PolarHBondContact O-N 3.13Å; N115-H119 PolarHBondContact O-ND1 2.66Å
116S92.5Very high93.5Very high25 Ų2552.7 Ų52.718%0.17527%0.268CS..Hα-helixtrans-68-44.9179.8-51.50000110.1Y112 N113 L114 S118 H119 D120Y112-S116 PolarHBondContact OH-O 3.25Å; N113-S116 PolarHBondContact O-N 3.23Å; N113-S116 WeakPolarHBondContact OD1-CB 3.41Å; N113-S116 PolarHBondContact OD1-N 3.31Å; N113-S116 PolarHBondContact OD1-OG 3.49Å; L114-S116 VanDerWaalsContact C-N 3.34Å; L114-S116 PolarHBondContact O-N 3.01Å; S116-S118 PolarHBondContact O-N 3.05Å; S116-H119 PolarHBondContact O-N 2.98Å; S116-D120 WeakPolarHBondContact O-CB 3.22Å; S116-D120 VanDerWaalsContact O-CG 3.31Å; S116-D120 PolarHBondContact O-N 2.87Å
117L93.8Very high93.7Very high3 Ų353.1 Ų53.12%0.01627%0.269CS..Hα-helixtrans-56.6-46.9173-177.963.6000112.2M45 L97 I102 Y112 N113 L114 T121M45-L117 HydrophobicContact CE-CD2 4.45Å; L97-L117 HydrophobicContact CD2-CD1 3.87Å; L97-L117 HydrophobicContact CD2-CD2 4Å; L97-L117 HydrophobicContact CD2-CG 3.86Å; I102-L117 HydrophobicContact CB-CD2 4.36Å; I102-L117 HydrophobicContact CG1-CD2 4.03Å; I102-L117 HydrophobicContact CG2-CD2 4.3Å; Y112-L117 HydrophobicContact CD1-CB 4.25Å; Y112-L117 HydrophobicContact CE1-CB 3.55Å; Y112-L117 HydrophobicContact CE1-CD1 3.74Å; Y112-L117 HydrophobicContact CE1-CG 4.21Å; Y112-L117 VanDerWaalsContact OH-CA 3.3Å; Y112-L117 WeakPolarHBondContact OH-CA 3.18Å; Y112-L117 PolarHBondContact OH-N 2.98Å; N113-L117 PolarHBondContact O-N 3.47Å; N113-L117 VanDerWaalsContact O-N 3.07Å; L114-L117 HydrophobicContact CD1-CD2 4.36Å; L114-L117 PolarHBondContact O-N 3.43Å; L117-T121 WeakPolarHBondContact O-CB 3.04Å; L117-T121 PolarHBondContact O-N 2.83Å; L117-T121 PolarHBondContact O-OG1 2.75Å
118S92.6Very high93.9Very high0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-58.2-52.5175.7-81.20000112.4R38 Y47 L114 N115 S116 D120 T121 A122R38-S118 PolarHBondContact NH1-OG 3.31Å; R38-S118 VanDerWaalsContact NH1-OG 3.15Å; Y47-S118 WeakPolarHBondContact OH-CB 3.49Å; Y47-S118 PolarHBondContact OH-OG 3.26Å; L114-S118 VanDerWaalsContact O-CB 3.28Å; L114-S118 WeakPolarHBondContact O-CB 3.48Å; L114-S118 PolarHBondContact O-N 3.16Å; L114-S118 PolarHBondContact O-OG 2.74Å; N115-S118 WeakPolarHBondContact O-CB 3.24Å; N115-S118 PolarHBondContact O-N 3.07Å; S116-S118 PolarHBondContact O-N 3.05Å; S118-D120 PolarHBondContact O-N 2.95Å; S118-T121 PolarHBondContact O-N 3.01Å; S118-A122 WeakPolarHBondContact O-CB 3.45Å; S118-A122 PolarHBondContact O-N 3.41Å
119H92.1Very high94.2Very high30 Ų3049.6 Ų49.614%0.13924%0.24CC..Hα-helixtrans-64.9-40-177-62.8169.4000112.1N115 S116 T121 A123 Y150N115-H119 WeakPolarHBondContact O-CB 3.46Å; N115-H119 PolarHBondContact O-CD2 3.17Å; N115-H119 VanDerWaalsContact O-CD2 3.27Å; N115-H119 PolarHBondContact O-N 3.13Å; N115-H119 PolarHBondContact O-ND1 2.66Å; S116-H119 PolarHBondContact O-N 2.98Å; H119-T121 VanDerWaalsContact C-N 3.34Å; H119-A123 VanDerWaalsContact O-CB 3.3Å; H119-A123 WeakPolarHBondContact O-CB 3.49Å; H119-A123 PolarHBondContact O-N 2.93Å; H119-Y150 HydrophobicContact CB-CD2 4.25Å; H119-Y150 HydrophobicContact CB-CE2 3.68Å; H119-Y150 AromaticContact CD2-CD2 3.48Å; H119-Y150 VanDerWaalsContact CD2-CD2 3.48Å; H119-Y150 WeakPolarHBondContact CD2-CD2 3.37Å; H119-Y150 AromaticContact CD2-CE1 3.8Å; H119-Y150 AromaticContact CD2-CE2 3.22Å; H119-Y150 WeakPolarHBondContact CD2-CE2 3.31Å; H119-Y150 AromaticContact CD2-CG 3.89Å; H119-Y150 AromaticContact CD2-CZ 3.39Å; H119-Y150 AromaticContact CE1-CD2 3.82Å; H119-Y150 AromaticContact CG-CD2 3.6Å; H119-Y150 AromaticContact CG-CE2 3.38Å; H119-Y150 AromaticContact ND1-CD2 3.81Å; H119-Y150 AromaticContact NE2-CD1 3.87Å; H119-Y150 AromaticContact NE2-CD2 3.65Å; H119-Y150 AromaticContact NE2-CE2 3.89Å; H119-Y150 AromaticContact NE2-CG 3.65Å
120D94.4Very high94.5Very high73 Ų7342.7 Ų42.739%0.3922%0.218SC..Hα-helixtrans-69.3-34.2179-71.8-25.9000112Y112 S116 S118 G124Y112-D120 WeakPolarHBondContact CE2-OD2 3.24Å; Y112-D120 WeakPolarHBondContact OH-CB 3.42Å; Y112-D120 PolarHBondContact OH-OD2 2.72Å; S116-D120 WeakPolarHBondContact O-CB 3.22Å; S116-D120 VanDerWaalsContact O-CG 3.31Å; S116-D120 PolarHBondContact O-N 2.87Å; S118-D120 PolarHBondContact O-N 2.95Å; D120-G124 PolarHBondContact O-N 3.21Å
121T95.8Very high94.8Very high1 Ų142 Ų421%0.00621%0.21CC..Hα-helixtrans-68.7-48.7174.9-53.90000111Y47 D95 L97 L117 S118 H119 A123 G124 L125Y47-T121 HydrophobicContact CD2-CG2 3.88Å; Y47-T121 HydrophobicContact CG-CG2 3.94Å; D95-T121 HydrophobicContact CB-CG2 3.85Å; L97-T121 HydrophobicContact CD1-CG2 3.77Å; L97-T121 HydrophobicContact CD2-CG2 4.41Å; L97-T121 HydrophobicContact CG-CG2 4.44Å; L117-T121 WeakPolarHBondContact O-CB 3.04Å; L117-T121 PolarHBondContact O-N 2.83Å; L117-T121 PolarHBondContact O-OG1 2.75Å; S118-T121 PolarHBondContact O-N 3.01Å; H119-T121 VanDerWaalsContact C-N 3.34Å; T121-A123 VanDerWaalsContact C-N 3.33Å; T121-A123 PolarHBondContact O-N 3Å; T121-G124 WeakPolarHBondContact O-CA 3.44Å; T121-G124 PolarHBondContact O-N 3.02Å; T121-L125 PolarHBondContact O-N 3.11Å
122A95.9Very high95.2Very high0 Ų036.7 Ų36.70%019%0.188CC..Hα-helixtrans-56.7-47.5175.800000111.5V33 Y47 S118 G124 L125 I126 Y150V33-A122 HydrophobicContact CG1-CB 4.02Å; Y47-A122 HydrophobicContact CD1-CB 4.12Å; Y47-A122 HydrophobicContact CE1-CB 4.04Å; S118-A122 WeakPolarHBondContact O-CB 3.45Å; S118-A122 PolarHBondContact O-N 3.41Å; A122-G124 VanDerWaalsContact C-N 3.3Å; A122-G124 PolarHBondContact O-N 3.25Å; A122-L125 PolarHBondContact O-N 2.87Å; A122-I126 WeakPolarHBondContact O-CG1 3.46Å; A122-I126 PolarHBondContact O-N 2.89Å; A122-Y150 WeakPolarHBondContact CB-OH 3.48Å
123A95.6Very high95.3Very high2 Ų235.4 Ų35.42%0.01720%0.195CC..Hα-helixtrans-63.6-35.2175.500000112.7H119 T121 I126 Q127 L154 R157 F158H119-A123 VanDerWaalsContact O-CB 3.3Å; H119-A123 WeakPolarHBondContact O-CB 3.49Å; H119-A123 PolarHBondContact O-N 2.93Å; T121-A123 VanDerWaalsContact C-N 3.33Å; T121-A123 PolarHBondContact O-N 3Å; A123-I126 PolarHBondContact O-N 3.15Å; A123-Q127 WeakPolarHBondContact O-CB 3.32Å; A123-Q127 PolarHBondContact O-N 3.13Å; A123-L154 HydrophobicContact CB-CD2 3.98Å; A123-R157 VanDerWaalsContact CB-NH1 3.26Å; A123-F158 HydrophobicContact CB-CE2 4.08Å; A123-F158 HydrophobicContact CB-CZ 4.32Å; A123-F158 WeakPolarHBondContact O-CZ 3.39Å
124G96.9Very high95.5Very high16 Ų1631.6 Ų31.617%0.16518%0.175CC..Hα-helixtrans-63.8-37.6174.600000113.4D120 T121 A122 Y128D120-G124 PolarHBondContact O-N 3.21Å; T121-G124 WeakPolarHBondContact O-CA 3.44Å; T121-G124 PolarHBondContact O-N 3.02Å; A122-G124 VanDerWaalsContact C-N 3.3Å; A122-G124 PolarHBondContact O-N 3.25Å; G124-Y128 WeakPolarHBondContact O-CB 3.45Å; G124-Y128 PolarHBondContact O-N 2.94Å
125L97.4Very high95.7Very high0 Ų033.5 Ų33.50%019%0.185CC..Hα-helixtrans-72.9-40.7174.8-75.6174.1000112.4I49 A93 D95 T121 A122 Q127 Y128 A129I49-L125 HydrophobicContact CD1-CB 4.24Å; I49-L125 WeakPolarHBondContact CD1-O 3.47Å; I49-L125 HydrophobicContact CG1-CB 4.28Å; I49-L125 HydrophobicContact CG2-CB 3.63Å; I49-L125 HydrophobicContact CG2-CD1 4.08Å; I49-L125 HydrophobicContact CG2-CG 4.47Å; A93-L125 HydrophobicContact CB-CD2 4.26Å; D95-L125 HydrophobicContact CB-CD1 4.12Å; D95-L125 HydrophobicContact CB-CD2 4.04Å; D95-L125 HydrophobicContact CB-CG 4.13Å; T121-L125 PolarHBondContact O-N 3.11Å; A122-L125 PolarHBondContact O-N 2.87Å; L125-Q127 VanDerWaalsContact C-N 3.31Å; L125-Q127 PolarHBondContact O-N 2.96Å; L125-Y128 WeakPolarHBondContact O-CB 3.31Å; L125-Y128 PolarHBondContact O-N 2.84Å; L125-A129 PolarHBondContact O-N 2.86Å; L125-A129 VanDerWaalsContact O-N 3.08Å
126I97.2Very high96Very high1 Ų130.3 Ų30.31%0.00517%0.168CC..Hα-helixtrans-59.1-47.4173.8-64.1162.3000109.7L31 V33 A122 A123 Y128 A129 L130 V139 L154 F158 M161L31-I126 HydrophobicContact CD2-CG1 4.14Å; V33-I126 HydrophobicContact CG2-CD1 4.12Å; V33-I126 HydrophobicContact CG2-CG1 4.02Å; A122-I126 WeakPolarHBondContact O-CG1 3.46Å; A122-I126 PolarHBondContact O-N 2.89Å; A123-I126 PolarHBondContact O-N 3.15Å; I126-Y128 VanDerWaalsContact C-N 3.3Å; I126-Y128 PolarHBondContact O-N 2.82Å; I126-A129 PolarHBondContact O-N 3.24Å; I126-L130 PolarHBondContact O-N 3.41Å; I126-V139 HydrophobicContact CD1-CG1 3.96Å; I126-V139 HydrophobicContact CG1-CG1 4.39Å; I126-V139 HydrophobicContact CG2-CG2 4.48Å; I126-L154 HydrophobicContact CD1-CD2 4.23Å; I126-F158 HydrophobicContact CB-CE2 4.12Å; I126-F158 HydrophobicContact CB-CZ 3.96Å; I126-F158 HydrophobicContact CD1-CE2 4.25Å; I126-F158 HydrophobicContact CG2-CD1 4.34Å; I126-F158 HydrophobicContact CG2-CD2 4.25Å; I126-F158 HydrophobicContact CG2-CE1 4Å; I126-F158 HydrophobicContact CG2-CE2 3.92Å; I126-F158 HydrophobicContact CG2-CG 4.46Å; I126-F158 HydrophobicContact CG2-CZ 3.79Å; I126-M161 HydrophobicContact CG2-CE 4.42Å; I126-M161 HydrophobicContact CG2-SD 4.23Å
127Q97.4Very high96.1Very high64 Ų6431.3 Ų31.330%0.29917%0.174SC..Hα-helixtrans-59.5-41.7176.4-173.563.458.200111.6A123 L125 A129 L130 D131 F158A123-Q127 WeakPolarHBondContact O-CB 3.32Å; A123-Q127 PolarHBondContact O-N 3.13Å; L125-Q127 VanDerWaalsContact C-N 3.31Å; L125-Q127 PolarHBondContact O-N 2.96Å; Q127-A129 VanDerWaalsContact C-N 3.33Å; Q127-A129 PolarHBondContact O-N 3.17Å; Q127-L130 WeakPolarHBondContact O-CB 3.48Å; Q127-L130 PolarHBondContact O-N 3.15Å; Q127-L130 VanDerWaalsContact O-N 3.13Å; Q127-D131 PolarHBondContact NE2-OD1 2.87Å; Q127-D131 PolarHBondContact O-N 3.12Å; Q127-F158 HydrophobicContact CB-CE1 4.31Å; Q127-F158 HydrophobicContact CB-CZ 4.34Å
128Y97.8Very high96.3Very high45 Ų4533.8 Ų33.818%0.17619%0.185CC..Hα-helixtrans-57.5-43.8176.5175.5-104.9000112.6R15 S17 A93 G124 L125 I126 L130 D131 Q132R15-Y128 VanDerWaalsContact NH1-CD2 3.29Å; S17-Y128 PolarHBondContact OG-OH 3.37Å; A93-Y128 HydrophobicContact CB-CD1 3.91Å; A93-Y128 HydrophobicContact CB-CE1 3.86Å; G124-Y128 WeakPolarHBondContact O-CB 3.45Å; G124-Y128 PolarHBondContact O-N 2.94Å; L125-Y128 WeakPolarHBondContact O-CB 3.31Å; L125-Y128 PolarHBondContact O-N 2.84Å; I126-Y128 VanDerWaalsContact C-N 3.3Å; I126-Y128 PolarHBondContact O-N 2.82Å; Y128-L130 VanDerWaalsContact C-N 3.31Å; Y128-L130 PolarHBondContact O-N 3.34Å; Y128-D131 PolarHBondContact O-N 2.87Å; Y128-Q132 HydrophobicContact CD1-CG 4.45Å; Y128-Q132 HydrophobicContact CD2-CG 4.33Å; Y128-Q132 HydrophobicContact CE1-CG 4.07Å; Y128-Q132 HydrophobicContact CE2-CG 3.94Å; Y128-Q132 VanDerWaalsContact O-CG 3.3Å; Y128-Q132 WeakPolarHBondContact O-CG 3.04Å; Y128-Q132 PolarHBondContact O-N 2.76Å
129A97.3Very high96.5Very high1 Ų133.8 Ų33.81%0.00819%0.185CC..Hα-helixtrans-60.8-41176.400000112.1L31 I49 L125 I126 Q127 Q132 G133 V134 V136L31-A129 HydrophobicContact CD1-CB 3.86Å; I49-A129 HydrophobicContact CD1-CB 3.85Å; L125-A129 PolarHBondContact O-N 2.86Å; L125-A129 VanDerWaalsContact O-N 3.08Å; I126-A129 PolarHBondContact O-N 3.24Å; Q127-A129 VanDerWaalsContact C-N 3.33Å; Q127-A129 PolarHBondContact O-N 3.17Å; A129-Q132 PolarHBondContact O-N 3.16Å; A129-G133 PolarHBondContact O-N 3.48Å; A129-V134 HydrophobicContact CB-CB 4.38Å; A129-V134 HydrophobicContact CB-CG2 4.37Å; A129-V134 VanDerWaalsContact O-CB 3.27Å; A129-V134 WeakPolarHBondContact O-CB 3.31Å; A129-V134 VanDerWaalsContact O-CG2 3.31Å; A129-V134 WeakPolarHBondContact O-CG2 3.47Å; A129-V134 PolarHBondContact O-N 2.96Å; A129-V134 VanDerWaalsContact O-N 3.09Å; A129-V136 HydrophobicContact CB-CG2 4.45Å
130L96.6Very high96.8Very high51 Ų5133.2 Ų33.227%0.26718%0.182SC..Hα-helixtrans-64.3-43.6175.6-61.2174.6000112I126 Q127 Y128 Q132 G133 V136 F158 M161I126-L130 PolarHBondContact O-N 3.41Å; Q127-L130 WeakPolarHBondContact O-CB 3.48Å; Q127-L130 PolarHBondContact O-N 3.15Å; Q127-L130 VanDerWaalsContact O-N 3.13Å; Y128-L130 VanDerWaalsContact C-N 3.31Å; Y128-L130 PolarHBondContact O-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.21Å; L130-G133 WeakPolarHBondContact O-CA 3.18Å; L130-G133 PolarHBondContact O-N 2.98Å; L130-V136 HydrophobicContact CD2-CB 3.97Å; L130-V136 HydrophobicContact CD2-CG2 4.13Å; L130-F158 HydrophobicContact CD1-CD1 3.87Å; L130-F158 HydrophobicContact CD1-CE1 3.9Å; L130-M161 HydrophobicContact CD1-CE 3.68Å; L130-M161 HydrophobicContact CD2-CE 3.76Å; L130-M161 HydrophobicContact CG-CE 4.18Å
131D97.4Very high96.9Very high109 Ų10929.9 Ų29.958%0.58316%0.164SC*.Hα-helixtrans-64.9-29.4179.9-63.8-17.4000111.7Q127 Y128 G133Q127-D131 PolarHBondContact NE2-OD1 2.87Å; Q127-D131 PolarHBondContact O-N 3.12Å; Y128-D131 PolarHBondContact O-N 2.87Å; D131-G133 PolarHBondContact O-N 3.38Å
132Q96.9Very high96.8Very high93 Ų9330.7 Ų30.744%0.43517%0.169SC..THydrogen-bonded Turntrans-78.4-0.4172.1-64.5-60.1-54.300113.6V20 Y128 A129 L130V20-Q132 HydrophobicContact CG2-CB 3.81Å; V20-Q132 HydrophobicContact CG2-CG 4.46Å; Y128-Q132 HydrophobicContact CD1-CG 4.45Å; Y128-Q132 HydrophobicContact CD2-CG 4.33Å; Y128-Q132 HydrophobicContact CE1-CG 4.07Å; Y128-Q132 HydrophobicContact CE2-CG 3.94Å; Y128-Q132 VanDerWaalsContact O-CG 3.3Å; Y128-Q132 WeakPolarHBondContact O-CG 3.04Å; Y128-Q132 PolarHBondContact O-N 2.76Å; A129-Q132 PolarHBondContact O-N 3.16Å; L130-Q132 PolarHBondContact O-N 3.21Å
133G96.4Very high96.5Very high39 Ų3931.4 Ų31.440%0.40217%0.173SC..THydrogen-bonded Turntrans85.912.3176.300000115L25 A129 L130 D131 N135L25-G133 VanDerWaalsContact CD2-O 3.26Å; L25-G133 WeakPolarHBondContact CD2-O 3.3Å; A129-G133 PolarHBondContact O-N 3.48Å; L130-G133 WeakPolarHBondContact O-CA 3.18Å; L130-G133 PolarHBondContact O-N 2.98Å; D131-G133 PolarHBondContact O-N 3.38Å; G133-N135 PolarHBondContact O-N 3.2Å
134V97.2Very high95.5Very high5 Ų536.2 Ų36.23%0.0320%0.202CC..  trans-66.2127.7175.3-176.80000109.3V20 C24 C29 Y51 A129 V136V20-V134 HydrophobicContact CG1-CG2 3.78Å; V20-V134 HydrophobicContact CG2-CG2 4.38Å; C24-V134 HydrophobicContact CB-CG1 4.29Å; C29-V134 HydrophobicContact CB-CG1 4.1Å; Y51-V134 HydrophobicContact CD2-CG1 3.65Å; Y51-V134 HydrophobicContact CD2-CG2 4.17Å; Y51-V134 HydrophobicContact CE1-CG2 4.48Å; Y51-V134 HydrophobicContact CE2-CB 4.48Å; Y51-V134 HydrophobicContact CE2-CG1 3.95Å; Y51-V134 HydrophobicContact CE2-CG2 3.62Å; Y51-V134 HydrophobicContact CG-CG1 4.18Å; A129-V134 HydrophobicContact CB-CB 4.38Å; A129-V134 HydrophobicContact CB-CG2 4.37Å; A129-V134 VanDerWaalsContact O-CB 3.27Å; A129-V134 WeakPolarHBondContact O-CB 3.31Å; A129-V134 VanDerWaalsContact O-CG2 3.31Å; A129-V134 WeakPolarHBondContact O-CG2 3.47Å; A129-V134 PolarHBondContact O-N 2.96Å; A129-V134 VanDerWaalsContact O-N 3.09Å; V134-V136 HydrophobicContact CB-CG2 4.05Å; V134-V136 HydrophobicContact CG1-CG2 3.62Å; V134-V136 PolarHBondContact O-N 3.16Å
135N96.8Very high94.5Very high67 Ų6737.4 Ų37.436%0.35822%0.215SC..  trans-80.567.7-179.3-176.415.2000111.4C24 K26 E27 P28 C29 G133 T137C24-N135 PolarHBondContact O-N 2.71Å; K26-N135 PolarHBondContact O-ND2 3.37Å; E27-N135 WeakPolarHBondContact O-CB 3.36Å; P28-N135 CarbonylContact C-O 3.29Å; P28-N135 WeakPolarHBondContact CA-O 3.44Å; C29-N135 PolarHBondContact N-O 2.93Å; G133-N135 PolarHBondContact O-N 3.2Å; N135-T137 PolarHBondContact O-N 3.36Å
136V97.2Very high93.8Very high11 Ų1143.9 Ų43.97%0.06725%0.247CC..EExtended strand (participates in β ladder)trans-75.6121.6-177.3-174.70000110.9L31 A129 L130 V134 V139 M161L31-V136 HydrophobicContact CB-CG1 3.83Å; L31-V136 HydrophobicContact CD1-CG1 4.28Å; L31-V136 HydrophobicContact CD1-CG2 3.94Å; A129-V136 HydrophobicContact CB-CG2 4.45Å; L130-V136 HydrophobicContact CD2-CB 3.97Å; L130-V136 HydrophobicContact CD2-CG2 4.13Å; V134-V136 HydrophobicContact CB-CG2 4.05Å; V134-V136 HydrophobicContact CG1-CG2 3.62Å; V134-V136 PolarHBondContact O-N 3.16Å; V136-V139 HydrophobicContact CG1-CG2 3.66Å; V136-M161 HydrophobicContact CG1-CE 4.48Å
137T96.4Very high93.3Very high46 Ų4645 Ų4528%0.28225%0.254SS..EExtended strand (participates in β ladder)trans-112.2-29.5176.958.90000113.4P28 C29 N135 E162P28-T137 HydrophobicContact CB-CG2 3.56Å; C29-T137 PolarHBondContact O-N 2.96Å; C29-T137 PolarHBondContact O-OG1 2.99Å; N135-T137 PolarHBondContact O-N 3.36Å; T137-E162 PolarHBondContact O-N 2.9Å
138Q97Very high93Very high55 Ų5547.4 Ų47.426%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-129.1134.5179.5-65.5178.237.400110.7C29 V30 L31 F140 E162C29-Q138 PolarHBondContact O-N 3.45Å; V30-Q138 CarbonylContact C-O 3.6Å; V30-Q138 WeakPolarHBondContact CA-O 3.37Å; V30-Q138 HydrophobicContact CG2-CB 4.35Å; L31-Q138 PolarHBondContact N-O 3.11Å; Q138-F140 HydrophobicContact CB-CE2 4.3Å; Q138-E162 WeakPolarHBondContact CA-O 3.5Å; Q138-E162 HydrophobicContact CG-CB 4.34Å
139V97.6Very high92.5Very high0 Ų049.4 Ų49.40%028%0.282CS..EExtended strand (participates in β ladder)trans-124.6126.5177-179.70000110.1L31 V33 I126 V136 V141 M161 E162 V163 T164L31-V139 HydrophobicContact CB-CG2 4.33Å; L31-V139 HydrophobicContact CD2-CG1 4.04Å; L31-V139 CarbonylContact O-C 3.56Å; L31-V139 WeakPolarHBondContact O-CA 3.27Å; V33-V139 HydrophobicContact CG2-CG1 4.16Å; I126-V139 HydrophobicContact CD1-CG1 3.96Å; I126-V139 HydrophobicContact CG1-CG1 4.39Å; I126-V139 HydrophobicContact CG2-CG2 4.48Å; V136-V139 HydrophobicContact CG1-CG2 3.66Å; V139-V141 HydrophobicContact CG1-CG2 3.78Å; V139-M161 HydrophobicContact CG2-SD 3.43Å; V139-M161 WeakPolarHBondContact CG2-SD 3.39Å; V139-E162 PolarHBondContact N-O 2.88Å; V139-V163 HydrophobicContact CB-CG2 4.45Å; V139-T164 PolarHBondContact O-N 3.24Å
140F97.2Very high92.2Very high19 Ų1949.8 Ų49.88%0.08328%0.283CS..EExtended strand (participates in β ladder)trans-112.9129.3173.3-61.9-68.5000110V30 L31 G32 V33 Q138 T164 F173 V175 V176V30-F140 HydrophobicContact CG2-CD2 3.54Å; V30-F140 HydrophobicContact CG2-CE2 3.47Å; V30-F140 VanDerWaalsContact CG2-CE2 3.47Å; L31-F140 PolarHBondContact O-N 3.15Å; G32-F140 CarbonylContact C-O 3.59Å; G32-F140 WeakPolarHBondContact CA-O 3.28Å; V33-F140 PolarHBondContact N-O 2.79Å; Q138-F140 HydrophobicContact CB-CE2 4.3Å; F140-T164 WeakPolarHBondContact CA-O 3.36Å; F140-T164 HydrophobicContact CD1-CG2 3.93Å; F140-T164 HydrophobicContact CE1-CG2 4.05Å; F140-F173 HydrophobicContact CB-CB 4.48Å; F140-F173 HydrophobicContact CB-CD2 4.04Å; F140-F173 HydrophobicContact CB-CE2 4.47Å; F140-F173 HydrophobicContact CB-CG 4.22Å; F140-F173 AromaticContact CD1-CD1 3.99Å; F140-F173 HydrophobicContact CD1-CD1 3.99Å; F140-F173 AromaticContact CD1-CD2 3.94Å; F140-F173 HydrophobicContact CD1-CD2 3.94Å; F140-F173 AromaticContact CD1-CE1 3.72Å; F140-F173 HydrophobicContact CD1-CE1 3.72Å; F140-F173 AromaticContact CD1-CE2 3.66Å; F140-F173 HydrophobicContact CD1-CE2 3.66Å; F140-F173 HydrophobicContact CD1-CG 4.09Å; F140-F173 AromaticContact CD1-CZ 3.53Å; F140-F173 HydrophobicContact CD1-CZ 3.53Å; F140-F173 HydrophobicContact CD2-CD1 4.18Å; F140-F173 HydrophobicContact CD2-CG 4.28Å; F140-F173 HydrophobicContact CE1-CD1 4.06Å; F140-F173 AromaticContact CE1-CE1 3.52Å; F140-F173 HydrophobicContact CE1-CE1 3.52Å; F140-F173 HydrophobicContact CE1-CE2 4.23Å; F140-F173 AromaticContact CE1-CZ 3.61Å; F140-F173 HydrophobicContact CE1-CZ 3.61Å; F140-F173 HydrophobicContact CE2-CD1 4.22Å; F140-F173 HydrophobicContact CE2-CE1 4.41Å; F140-F173 HydrophobicContact CG-CB 4.45Å; F140-F173 HydrophobicContact CG-CD1 4.07Å; F140-F173 HydrophobicContact CG-CD2 4.01Å; F140-F173 HydrophobicContact CG-CE1 4.28Å; F140-F173 HydrophobicContact CG-CE2 4.21Å; F140-F173 AromaticContact CG-CG 3.92Å; F140-F173 HydrophobicContact CG-CG 3.92Å; F140-F173 HydrophobicContact CG-CZ 4.33Å; F140-F173 HydrophobicContact CZ-CD1 4.17Å; F140-F173 AromaticContact CZ-CE1 3.9Å; F140-F173 HydrophobicContact CZ-CE1 3.9Å; F140-F173 HydrophobicContact CZ-CZ 4.44Å; F140-V175 HydrophobicContact CD2-CG2 4.05Å; F140-V176 HydrophobicContact CB-CG2 3.5Å
141V96.1Very high92.1Very high2 Ų250.7 Ų50.71%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-128131.8-177-173.80000110.1V33 V139 Y150 L154 T164 V165 K166V33-V141 HydrophobicContact CB-CB 4.31Å; V33-V141 HydrophobicContact CB-CG1 4.06Å; V33-V141 HydrophobicContact CB-CG2 4.02Å; V33-V141 HydrophobicContact CG1-CG1 4.36Å; V33-V141 HydrophobicContact CG2-CG2 3.88Å; V139-V141 HydrophobicContact CG1-CG2 3.78Å; V141-Y150 HydrophobicContact CG1-CD1 4.49Å; V141-Y150 HydrophobicContact CG1-CE1 3.56Å; V141-L154 HydrophobicContact CG2-CD1 3.91Å; V141-T164 PolarHBondContact N-O 3.49Å; V141-V165 HydrophobicContact CB-CG1 4.36Å; V141-V165 HydrophobicContact CB-CG2 4.15Å; V141-V165 HydrophobicContact CG2-CG2 4.47Å; V141-K166 PolarHBondContact O-N 2.95Å; V141-K166 VanDerWaalsContact O-N 3.11Å
142D93.9Very high91.8Very high18 Ų1848.3 Ų48.310%0.09628%0.282CS..EExtended strand (participates in β ladder)trans-78.1146.1168.3-165.145.5000111.5V33 K168 A169 V176V33-D142 PolarHBondContact O-N 2.83Å; V33-D142 VanDerWaalsContact O-N 3.09Å; D142-K168 VanDerWaalsContact OD1-CA 3.31Å; D142-K168 WeakPolarHBondContact OD1-CA 3.45Å; D142-K168 PolarHBondContact OD1-N 3.45Å; D142-A169 HydrophobicContact CB-CB 4.05Å; D142-A169 PolarHBondContact OD1-N 2.84Å; D142-V176 HydrophobicContact CB-CG1 3.99Å
143T89.4Confident91.6Very high15 Ų1550.9 Ų50.99%0.09229%0.288CS..  trans-143.9147176.7-173.60000112.1G145 P147 V165 K166T143-G145 PolarHBondContact OG1-N 3.34Å; T143-P147 HydrophobicContact CG2-CB 4.03Å; T143-P147 HydrophobicContact CG2-CG 3.83Å; T143-V165 HydrophobicContact CG2-CG1 3.61Å; T143-K166 PolarHBondContact N-O 3.47Å
144V75.2Confident91.4Very high103 Ų10349.2 Ų49.262%0.62427%0.27SS*.SBendtrans-9714.5174.1-650000113.2
145G76.9Confident91.2Very high42 Ų4251.9 Ų51.943%0.43328%0.282SS..SBendtrans-147.4-158.7-178.100000114.1T143 P147T143-G145 PolarHBondContact OG1-N 3.34Å; G145-P147 WeakPolarHBondContact O-CD 3.37Å
146M81.1Confident91.1Very high136 Ų13656.6 Ų56.667%0.6730%0.302SS*.  trans-66.1108.2-179.7-67.3-65.4-72.700110.8E148 T149M146-E148 VanDerWaalsContact C-N 3.27Å; M146-E148 WeakPolarHBondContact CE-OE2 3.45Å; M146-E148 PolarHBondContact O-N 2.94Å; M146-T149 PolarHBondContact O-OG1 2.94Å
147P87.8Confident91Very high25 Ų2561.8 Ų61.816%0.16232%0.32CS..Hα-helixtrans-66.1-27.1-172.6-19.632.7000113.6T143 G145 T149 Y150 Q151 V165T143-P147 HydrophobicContact CG2-CB 4.03Å; T143-P147 HydrophobicContact CG2-CG 3.83Å; G145-P147 WeakPolarHBondContact O-CD 3.37Å; P147-T149 PolarHBondContact O-N 3.14Å; P147-Y150 PolarHBondContact O-N 3.4Å; P147-Q151 VanDerWaalsContact O-CB 3.27Å; P147-Q151 WeakPolarHBondContact O-CB 3.43Å; P147-Q151 PolarHBondContact O-N 2.8Å; P147-V165 HydrophobicContact CB-CB 4.17Å; P147-V165 HydrophobicContact CB-CG1 4.01Å; P147-V165 WeakPolarHBondContact CB-O 3.49Å
148E90.3Very high90.8Very high114 Ų11460 Ų6053%0.53331%0.308SS..Hα-helixtrans-64.8-45.8-169.7-55.674.5-162.500111.5M146 Y150 A152M146-E148 VanDerWaalsContact C-N 3.27Å; M146-E148 WeakPolarHBondContact CE-OE2 3.45Å; M146-E148 PolarHBondContact O-N 2.94Å; E148-Y150 VanDerWaalsContact C-N 3.31Å; E148-Y150 PolarHBondContact O-N 2.97Å; E148-A152 WeakPolarHBondContact O-CB 3.4Å; E148-A152 PolarHBondContact O-N 2.85Å
149T88.8Confident90.6Very high87 Ų8762.4 Ų62.453%0.53433%0.329SS..Hα-helixtrans-67.4-35.3179.461.20000111.9M146 P147 R153M146-T149 PolarHBondContact O-OG1 2.94Å; P147-T149 PolarHBondContact O-N 3.14Å; T149-R153 WeakPolarHBondContact O-CG 3.01Å; T149-R153 PolarHBondContact O-N 3.45Å
150Y90.6Very high90.2Very high8 Ų866.4 Ų66.43%0.03137%0.37CS..Hα-helixtrans-74.5-44.1179.7-173.5-160.7000111H119 A122 V141 P147 E148 A152 R153 L154 V165H119-Y150 HydrophobicContact CB-CD2 4.25Å; H119-Y150 HydrophobicContact CB-CE2 3.68Å; H119-Y150 AromaticContact CD2-CD2 3.48Å; H119-Y150 VanDerWaalsContact CD2-CD2 3.48Å; H119-Y150 WeakPolarHBondContact CD2-CD2 3.37Å; H119-Y150 AromaticContact CD2-CE1 3.8Å; H119-Y150 AromaticContact CD2-CE2 3.22Å; H119-Y150 WeakPolarHBondContact CD2-CE2 3.31Å; H119-Y150 AromaticContact CD2-CG 3.89Å; H119-Y150 AromaticContact CD2-CZ 3.39Å; H119-Y150 AromaticContact CE1-CD2 3.82Å; H119-Y150 AromaticContact CG-CD2 3.6Å; H119-Y150 AromaticContact CG-CE2 3.38Å; H119-Y150 AromaticContact ND1-CD2 3.81Å; H119-Y150 AromaticContact NE2-CD1 3.87Å; H119-Y150 AromaticContact NE2-CD2 3.65Å; H119-Y150 AromaticContact NE2-CE2 3.89Å; H119-Y150 AromaticContact NE2-CG 3.65Å; A122-Y150 WeakPolarHBondContact CB-OH 3.48Å; V141-Y150 HydrophobicContact CG1-CD1 4.49Å; V141-Y150 HydrophobicContact CG1-CE1 3.56Å; P147-Y150 PolarHBondContact O-N 3.4Å; E148-Y150 VanDerWaalsContact C-N 3.31Å; E148-Y150 PolarHBondContact O-N 2.97Å; Y150-A152 PolarHBondContact O-N 3.15Å; Y150-R153 PolarHBondContact O-N 3.2Å; Y150-L154 HydrophobicContact CD2-CD1 3.92Å; Y150-L154 HydrophobicContact CD2-CG 3.95Å; Y150-L154 HydrophobicContact CE1-CD1 4.35Å; Y150-L154 HydrophobicContact CE2-CD1 3.48Å; Y150-L154 VanDerWaalsContact CE2-CD1 3.48Å; Y150-L154 HydrophobicContact CE2-CD2 4.11Å; Y150-L154 HydrophobicContact CE2-CG 3.63Å; Y150-L154 PolarHBondContact O-N 3.09Å; Y150-V165 HydrophobicContact CD1-CG1 3.64Å; Y150-V165 HydrophobicContact CD1-CG2 4.33Å; Y150-V165 HydrophobicContact CE1-CG1 4.31Å; Y150-V165 HydrophobicContact CG-CG1 4.34Å; Y150-V165 HydrophobicContact CG-CG2 4.49Å
151Q93.3Very high89.9Confident70 Ų7066.3 Ų66.333%0.32737%0.37SS..Hα-helixtrans-59.5-45.3174.9-171.4170.7-51.300111.3P147 R153 L154 Q155 V163 V165P147-Q151 VanDerWaalsContact O-CB 3.27Å; P147-Q151 WeakPolarHBondContact O-CB 3.43Å; P147-Q151 PolarHBondContact O-N 2.8Å; Q151-R153 VanDerWaalsContact C-N 3.32Å; Q151-R153 PolarHBondContact O-N 3.41Å; Q151-L154 PolarHBondContact O-N 3.46Å; Q151-Q155 WeakPolarHBondContact O-CB 3.48Å; Q151-Q155 PolarHBondContact O-N 3.21Å; Q151-V163 VanDerWaalsContact CD-O 3.26Å; Q151-V163 WeakPolarHBondContact CG-O 3.3Å; Q151-V163 PolarHBondContact NE2-O 3.03Å; Q151-V165 HydrophobicContact CB-CB 4.01Å; Q151-V165 HydrophobicContact CB-CG2 3.68Å; Q151-V165 HydrophobicContact CG-CG2 4.16Å
152A92.4Very high89.9Confident60 Ų6071.6 Ų71.650%0.49639%0.394SS..Hα-helixtrans-58.9-42.9177.700000112.2E148 Y150 Q156E148-A152 WeakPolarHBondContact O-CB 3.4Å; E148-A152 PolarHBondContact O-N 2.85Å; Y150-A152 PolarHBondContact O-N 3.15Å; A152-Q156 VanDerWaalsContact O-CB 3.27Å; A152-Q156 WeakPolarHBondContact O-CB 3.21Å; A152-Q156 PolarHBondContact O-N 3.26Å
153R91.2Very high90Very high146 Ų14670.9 Ų70.955%0.55139%0.39SS*.Hα-helixtrans-65-45.5177.6-72.9178.3-174.6-164.44.4112.3T149 Y150 Q151 R157T149-R153 WeakPolarHBondContact O-CG 3.01Å; T149-R153 PolarHBondContact O-N 3.45Å; Y150-R153 PolarHBondContact O-N 3.2Å; Q151-R153 VanDerWaalsContact C-N 3.32Å; Q151-R153 PolarHBondContact O-N 3.41Å; R153-R157 PolarHBondContact O-N 2.78Å; R153-R157 VanDerWaalsContact O-N 3.15Å
154L92.6Very high90.3Very high4 Ų471.2 Ų71.22%0.02139%0.392CS..Hα-helixtrans-67.8-43.7178.6-74.5175.5000111.6A123 I126 V141 Y150 Q151 Q156 R157 F158 V163 V165A123-L154 HydrophobicContact CB-CD2 3.98Å; I126-L154 HydrophobicContact CD1-CD2 4.23Å; V141-L154 HydrophobicContact CG2-CD1 3.91Å; Y150-L154 HydrophobicContact CD2-CD1 3.92Å; Y150-L154 HydrophobicContact CD2-CG 3.95Å; Y150-L154 HydrophobicContact CE1-CD1 4.35Å; Y150-L154 HydrophobicContact CE2-CD1 3.48Å; Y150-L154 VanDerWaalsContact CE2-CD1 3.48Å; Y150-L154 HydrophobicContact CE2-CD2 4.11Å; Y150-L154 HydrophobicContact CE2-CG 3.63Å; Y150-L154 PolarHBondContact O-N 3.09Å; Q151-L154 PolarHBondContact O-N 3.46Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 2.92Å; L154-R157 PolarHBondContact O-N 2.82Å; L154-R157 VanDerWaalsContact O-N 3.09Å; L154-F158 HydrophobicContact CD2-CD2 4.47Å; L154-F158 HydrophobicContact CD2-CE2 4.17Å; L154-F158 WeakPolarHBondContact O-CD2 3.04Å; L154-F158 PolarHBondContact O-N 3.13Å; L154-V163 HydrophobicContact CB-CG1 3.79Å; L154-V163 HydrophobicContact CD1-CG1 4.05Å; L154-V165 HydrophobicContact CD1-CG2 4.08Å
155Q94.4Very high91.3Very high62 Ų6266.5 Ų66.529%0.2936%0.364SS..Hα-helixtrans-63.3-36177.9-169.265.265.200111.9Q151 R157 F158 P159 M161Q151-Q155 WeakPolarHBondContact O-CB 3.48Å; Q151-Q155 PolarHBondContact O-N 3.21Å; Q155-R157 VanDerWaalsContact C-N 3.34Å; Q155-F158 PolarHBondContact NE2-O 2.8Å; Q155-F158 CarbonylContact O-C 3.47Å; Q155-F158 VanDerWaalsContact O-C 3.29Å; Q155-F158 PolarHBondContact O-N 2.93Å; Q155-P159 WeakPolarHBondContact O-CA 3.4Å; Q155-M161 PolarHBondContact NE2-O 3.37Å
156Q94.3Very high92Very high165 Ų16569 Ų6977%0.77136%0.363SS*.Hα-helixtrans-65.2-38.5173.1-176.7-179.10.800111.9A152 L154A152-Q156 VanDerWaalsContact O-CB 3.27Å; A152-Q156 WeakPolarHBondContact O-CB 3.21Å; A152-Q156 PolarHBondContact O-N 3.26Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 2.92Å
157R93.7Very high92.5Very high121 Ų12165.1 Ų65.146%0.45735%0.353SS..Hα-helixtrans-73.9-33.1178.4-172.4167.9177.3167.1-1.6112.4A123 R153 L154 Q155 P159A123-R157 VanDerWaalsContact CB-NH1 3.26Å; R153-R157 PolarHBondContact O-N 2.78Å; R153-R157 VanDerWaalsContact O-N 3.15Å; L154-R157 PolarHBondContact O-N 2.82Å; L154-R157 VanDerWaalsContact O-N 3.09Å; Q155-R157 VanDerWaalsContact C-N 3.34Å; R157-P159 WeakPolarHBondContact O-CD 3.42Å
158F94.1Very high92.4Very high8 Ų871 Ų714%0.03538%0.376CS..  trans-125.272.1-177.7-54.1-73.4000111.7A123 I126 Q127 L130 L154 Q155 G160 M161A123-F158 HydrophobicContact CB-CE2 4.08Å; A123-F158 HydrophobicContact CB-CZ 4.32Å; A123-F158 WeakPolarHBondContact O-CZ 3.39Å; I126-F158 HydrophobicContact CB-CE2 4.12Å; I126-F158 HydrophobicContact CB-CZ 3.96Å; I126-F158 HydrophobicContact CD1-CE2 4.25Å; I126-F158 HydrophobicContact CG2-CD1 4.34Å; I126-F158 HydrophobicContact CG2-CD2 4.25Å; I126-F158 HydrophobicContact CG2-CE1 4Å; I126-F158 HydrophobicContact CG2-CE2 3.92Å; I126-F158 HydrophobicContact CG2-CG 4.46Å; I126-F158 HydrophobicContact CG2-CZ 3.79Å; Q127-F158 HydrophobicContact CB-CE1 4.31Å; Q127-F158 HydrophobicContact CB-CZ 4.34Å; L130-F158 HydrophobicContact CD1-CD1 3.87Å; L130-F158 HydrophobicContact CD1-CE1 3.9Å; L154-F158 HydrophobicContact CD2-CD2 4.47Å; L154-F158 HydrophobicContact CD2-CE2 4.17Å; L154-F158 WeakPolarHBondContact O-CD2 3.04Å; L154-F158 PolarHBondContact O-N 3.13Å; Q155-F158 PolarHBondContact NE2-O 2.8Å; Q155-F158 CarbonylContact O-C 3.47Å; Q155-F158 VanDerWaalsContact O-C 3.29Å; Q155-F158 PolarHBondContact O-N 2.93Å; F158-G160 VanDerWaalsContact C-N 3.26Å; F158-G160 PolarHBondContact O-N 2.89Å; F158-M161 HydrophobicContact CB-CE 3.96Å; F158-M161 HydrophobicContact CB-CG 3.62Å; F158-M161 HydrophobicContact CB-SD 3.51Å; F158-M161 VanDerWaalsContact CB-SD 3.51Å; F158-M161 HydrophobicContact CD1-CE 4.13Å; F158-M161 HydrophobicContact CD1-SD 4.43Å; F158-M161 HydrophobicContact CG-CE 4.23Å; F158-M161 HydrophobicContact CG-SD 3.96Å; F158-M161 WeakPolarHBondContact O-CG 3.48Å
159P91.6Very high92.4Very high106 Ų10665.5 Ų65.569%0.68835%0.35SS*.THydrogen-bonded Turntrans-70.6-17.7-173.927.9-35.8000114.4Q155 R157Q155-P159 WeakPolarHBondContact O-CA 3.4Å; R157-P159 WeakPolarHBondContact O-CD 3.42Å
160G88.9Confident92.4Very high83 Ų8361.6 Ų61.686%0.85633%0.326SS*.THydrogen-bonded Turntrans-86.70.6-176.900000115.5F158F158-G160 VanDerWaalsContact C-N 3.26Å; F158-G160 PolarHBondContact O-N 2.89Å
161M92.3Very high92.2Very high17 Ų1764.3 Ų64.38%0.08435%0.346CS..SBendtrans-131.7157.7-177.360.5-179.765.400111.1I126 L130 V136 V139 Q155 F158 V163I126-M161 HydrophobicContact CG2-CE 4.42Å; I126-M161 HydrophobicContact CG2-SD 4.23Å; L130-M161 HydrophobicContact CD1-CE 3.68Å; L130-M161 HydrophobicContact CD2-CE 3.76Å; L130-M161 HydrophobicContact CG-CE 4.18Å; V136-M161 HydrophobicContact CG1-CE 4.48Å; V139-M161 HydrophobicContact CG2-SD 3.43Å; V139-M161 WeakPolarHBondContact CG2-SD 3.39Å; Q155-M161 PolarHBondContact NE2-O 3.37Å; F158-M161 HydrophobicContact CB-CE 3.96Å; F158-M161 HydrophobicContact CB-CG 3.62Å; F158-M161 HydrophobicContact CB-SD 3.51Å; F158-M161 VanDerWaalsContact CB-SD 3.51Å; F158-M161 HydrophobicContact CD1-CE 4.13Å; F158-M161 HydrophobicContact CD1-SD 4.43Å; F158-M161 HydrophobicContact CG-CE 4.23Å; F158-M161 HydrophobicContact CG-SD 3.96Å; F158-M161 WeakPolarHBondContact O-CG 3.48Å; M161-V163 HydrophobicContact CG-CG2 3.93Å; M161-V163 PolarHBondContact O-N 2.93Å; M161-V163 HydrophobicContact SD-CG2 4.27Å
162E95.9Very high92.1Very high114 Ų11465.9 Ų65.953%0.53336%0.356SS..EExtended strand (participates in β ladder)trans-84.4109.9174-175.1176.2-176.200109.7T137 Q138 V139T137-E162 PolarHBondContact O-N 2.9Å; Q138-E162 WeakPolarHBondContact CA-O 3.5Å; Q138-E162 HydrophobicContact CG-CB 4.34Å; V139-E162 PolarHBondContact N-O 2.88Å
163V96.1Very high92.1Very high2 Ų265 Ų651%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-101.5120.2176.9-173.40000110.1V139 Q151 L154 M161 V165V139-V163 HydrophobicContact CB-CG2 4.45Å; Q151-V163 VanDerWaalsContact CD-O 3.26Å; Q151-V163 WeakPolarHBondContact CG-O 3.3Å; Q151-V163 PolarHBondContact NE2-O 3.03Å; L154-V163 HydrophobicContact CB-CG1 3.79Å; L154-V163 HydrophobicContact CD1-CG1 4.05Å; M161-V163 HydrophobicContact CG-CG2 3.93Å; M161-V163 PolarHBondContact O-N 2.93Å; M161-V163 HydrophobicContact SD-CG2 4.27Å; V163-V165 HydrophobicContact CG1-CG2 4.27Å
164T95.8Very high92.1Very high22 Ų2258.8 Ų58.814%0.13532%0.32CS..EExtended strand (participates in β ladder)trans-118.3117.3175.3-66.40000109.9V139 F140 V141 K166V139-T164 PolarHBondContact O-N 3.24Å; F140-T164 WeakPolarHBondContact CA-O 3.36Å; F140-T164 HydrophobicContact CD1-CG2 3.93Å; F140-T164 HydrophobicContact CE1-CG2 4.05Å; V141-T164 PolarHBondContact N-O 3.49Å; T164-K166 HydrophobicContact CG2-CD 4.21Å; T164-K166 HydrophobicContact CG2-CG 3.96Å
165V94.9Very high92.2Very high4 Ų458.8 Ų58.82%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-106.3126.9174.1-173.40000108.1V141 T143 P147 Y150 Q151 L154 V163V141-V165 HydrophobicContact CB-CG1 4.36Å; V141-V165 HydrophobicContact CB-CG2 4.15Å; V141-V165 HydrophobicContact CG2-CG2 4.47Å; T143-V165 HydrophobicContact CG2-CG1 3.61Å; P147-V165 HydrophobicContact CB-CB 4.17Å; P147-V165 HydrophobicContact CB-CG1 4.01Å; P147-V165 WeakPolarHBondContact CB-O 3.49Å; Y150-V165 HydrophobicContact CD1-CG1 3.64Å; Y150-V165 HydrophobicContact CD1-CG2 4.33Å; Y150-V165 HydrophobicContact CE1-CG1 4.31Å; Y150-V165 HydrophobicContact CG-CG1 4.34Å; Y150-V165 HydrophobicContact CG-CG2 4.49Å; Q151-V165 HydrophobicContact CB-CB 4.01Å; Q151-V165 HydrophobicContact CB-CG2 3.68Å; Q151-V165 HydrophobicContact CG-CG2 4.16Å; L154-V165 HydrophobicContact CD1-CG2 4.08Å; V163-V165 HydrophobicContact CG1-CG2 4.27Å
166K93.1Very high92.3Very high94 Ų9455.8 Ų55.841%0.40931%0.306SS..EExtended strand (participates in β ladder)trans-137147.8176.8-69.2-171.3-176.91790110.4V141 T143 T164 A169 L172 F173V141-K166 PolarHBondContact O-N 2.95Å; V141-K166 VanDerWaalsContact O-N 3.11Å; T143-K166 PolarHBondContact N-O 3.47Å; T164-K166 HydrophobicContact CG2-CD 4.21Å; T164-K166 HydrophobicContact CG2-CG 3.96Å; K166-A169 HydrophobicContact CB-CB 4.32Å; K166-A169 WeakPolarHBondContact O-CB 3.42Å; K166-L172 HydrophobicContact CD-CD1 4.07Å; K166-F173 HydrophobicContact CD-CE2 4.04Å; K166-F173 HydrophobicContact CD-CZ 4.19Å
167A90.5Very high92.2Very high56 Ų5648 Ų4846%0.46327%0.269SS..THydrogen-bonded Turntrans-72.2139.1166.900000109.6A169A167-A169 PolarHBondContact O-N 2.97Å
168K86.6Confident92.2Very high147 Ų14742.2 Ų42.264%0.63925%0.248SC*.THydrogen-bonded Turntrans59.436.8-176.4-52.7179.5178.8-179.20112.2D142 D170 S171D142-K168 VanDerWaalsContact OD1-CA 3.31Å; D142-K168 WeakPolarHBondContact OD1-CA 3.45Å; D142-K168 PolarHBondContact OD1-N 3.45Å; K168-D170 VanDerWaalsContact C-OD1 3.29Å; K168-D170 WeakPolarHBondContact CA-OD1 3.46Å; K168-D170 PolarHBondContact O-N 2.95Å; K168-S171 PolarHBondContact O-N 3.31Å
169A89.9Confident92.3Very high0 Ų041.8 Ų41.80%025%0.246CC..G310 helixtrans-63-27.6178.400000111.5D142 K166 A167 S171 L172 F173 V176D142-A169 HydrophobicContact CB-CB 4.05Å; D142-A169 PolarHBondContact OD1-N 2.84Å; K166-A169 HydrophobicContact CB-CB 4.32Å; K166-A169 WeakPolarHBondContact O-CB 3.42Å; A167-A169 PolarHBondContact O-N 2.97Å; A169-S171 PolarHBondContact O-N 2.88Å; A169-L172 PolarHBondContact O-N 3.21Å; A169-F173 HydrophobicContact CB-CD2 4.02Å; A169-F173 HydrophobicContact CB-CE2 4.4Å; A169-F173 PolarHBondContact O-N 3.49Å; A169-V176 HydrophobicContact CB-CB 4.39Å; A169-V176 HydrophobicContact CB-CG1 3.95Å; A169-V176 HydrophobicContact CB-CG2 4.2Å
170D87.4Confident92.4Very high4 Ų436.8 Ų36.82%0.02121%0.213CC..G310 helixtrans-56.3-31.1173.970.7-42000114K69 K168 V176 S177K69-D170 WeakPolarHBondContact CE-OD2 3.19Å; K69-D170 IonicContact NZ-OD1 3.2Å; K69-D170 PolarHBondContact NZ-OD1 3.16Å; K69-D170 IonicContact NZ-OD2 2.7Å; K69-D170 PolarHBondContact NZ-OD2 3.36Å; K168-D170 VanDerWaalsContact C-OD1 3.29Å; K168-D170 WeakPolarHBondContact CA-OD1 3.46Å; K168-D170 PolarHBondContact O-N 2.95Å; D170-V176 HydrophobicContact CB-CG1 4.23Å; D170-S177 WeakPolarHBondContact O-CB 3.21Å; D170-S177 PolarHBondContact O-OG 2.81Å
171S87.6Confident92.6Very high65 Ų6532.8 Ų32.846%0.45517%0.172SC..G310 helixtrans-90-11.4178.4-49.30000113K168 A169K168-S171 PolarHBondContact O-N 3.31Å; A169-S171 PolarHBondContact O-N 2.88Å
172L89.8Confident92.7Very high103 Ų10332 Ų3254%0.53917%0.168SC..THydrogen-bonded Turntrans-105.5-34.1-174.6-63175.4000112.5K166 A169K166-L172 HydrophobicContact CD-CD1 4.07Å; A169-L172 PolarHBondContact O-N 3.21Å
173F92.5Very high92.7Very high41 Ų4126.6 Ų26.618%0.1814%0.143CC..  trans-125.5121.3-172.5-55.5-72000110.5F140 K166 A169 V175 V176 S177F140-F173 HydrophobicContact CB-CB 4.48Å; F140-F173 HydrophobicContact CB-CD2 4.04Å; F140-F173 HydrophobicContact CB-CE2 4.47Å; F140-F173 HydrophobicContact CB-CG 4.22Å; F140-F173 AromaticContact CD1-CD1 3.99Å; F140-F173 HydrophobicContact CD1-CD1 3.99Å; F140-F173 AromaticContact CD1-CD2 3.94Å; F140-F173 HydrophobicContact CD1-CD2 3.94Å; F140-F173 AromaticContact CD1-CE1 3.72Å; F140-F173 HydrophobicContact CD1-CE1 3.72Å; F140-F173 AromaticContact CD1-CE2 3.66Å; F140-F173 HydrophobicContact CD1-CE2 3.66Å; F140-F173 HydrophobicContact CD1-CG 4.09Å; F140-F173 AromaticContact CD1-CZ 3.53Å; F140-F173 HydrophobicContact CD1-CZ 3.53Å; F140-F173 HydrophobicContact CD2-CD1 4.18Å; F140-F173 HydrophobicContact CD2-CG 4.28Å; F140-F173 HydrophobicContact CE1-CD1 4.06Å; F140-F173 AromaticContact CE1-CE1 3.52Å; F140-F173 HydrophobicContact CE1-CE1 3.52Å; F140-F173 HydrophobicContact CE1-CE2 4.23Å; F140-F173 AromaticContact CE1-CZ 3.61Å; F140-F173 HydrophobicContact CE1-CZ 3.61Å; F140-F173 HydrophobicContact CE2-CD1 4.22Å; F140-F173 HydrophobicContact CE2-CE1 4.41Å; F140-F173 HydrophobicContact CG-CB 4.45Å; F140-F173 HydrophobicContact CG-CD1 4.07Å; F140-F173 HydrophobicContact CG-CD2 4.01Å; F140-F173 HydrophobicContact CG-CE1 4.28Å; F140-F173 HydrophobicContact CG-CE2 4.21Å; F140-F173 AromaticContact CG-CG 3.92Å; F140-F173 HydrophobicContact CG-CG 3.92Å; F140-F173 HydrophobicContact CG-CZ 4.33Å; F140-F173 HydrophobicContact CZ-CD1 4.17Å; F140-F173 AromaticContact CZ-CE1 3.9Å; F140-F173 HydrophobicContact CZ-CE1 3.9Å; F140-F173 HydrophobicContact CZ-CZ 4.44Å; K166-F173 HydrophobicContact CD-CE2 4.04Å; K166-F173 HydrophobicContact CD-CZ 4.19Å; A169-F173 HydrophobicContact CB-CD2 4.02Å; A169-F173 HydrophobicContact CB-CE2 4.4Å; A169-F173 PolarHBondContact O-N 3.49Å; F173-V175 HydrophobicContact CB-CG2 4.2Å; F173-V175 PolarHBondContact O-N 2.71Å; F173-V176 HydrophobicContact CB-CB 4.31Å; F173-V176 HydrophobicContact CB-CG2 3.93Å; F173-V176 HydrophobicContact CD2-CG2 4.4Å; F173-V176 PolarHBondContact O-N 2.99Å; F173-S177 PolarHBondContact O-N 3.49Å
174P92.9Very high92.5Very high17 Ų1728.8 Ų28.811%0.1115%0.153CC..Hα-helixtrans-56.1-36.2-179.5-27.634.8000113.9L60 E61 S177 A178L60-P174 HydrophobicContact CD2-CB 4.25Å; L60-P174 HydrophobicContact CG-CB 4.23Å; E61-P174 HydrophobicContact CB-CB 4.43Å; E61-P174 HydrophobicContact CB-CG 3.92Å; E61-P174 HydrophobicContact CG-CG 4Å; P174-S177 WeakPolarHBondContact O-CB 3.33Å; P174-S177 PolarHBondContact O-N 3.21Å; P174-A178 WeakPolarHBondContact O-CB 3.47Å; P174-A178 PolarHBondContact O-N 3.26Å
175V94.6Very high92.4Very high3 Ų328.2 Ų28.22%0.01815%0.149CC..Hα-helixtrans-64.8-37177.3-70.40000113.5V30 L60 F140 F173 A178 A179V30-V175 HydrophobicContact CG1-CG1 3.66Å; V30-V175 HydrophobicContact CG2-CG1 4.21Å; V30-V175 HydrophobicContact CG2-CG2 3.89Å; L60-V175 HydrophobicContact CD2-CB 4.29Å; L60-V175 HydrophobicContact CD2-CG1 3.47Å; L60-V175 VanDerWaalsContact CD2-CG1 3.47Å; F140-V175 HydrophobicContact CD2-CG2 4.05Å; F173-V175 HydrophobicContact CB-CG2 4.2Å; F173-V175 PolarHBondContact O-N 2.71Å; V175-A178 PolarHBondContact O-N 2.88Å; V175-A179 PolarHBondContact O-N 3.21Å
176V95.3Very high92.3Very high0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-73.8-39.2176.7-177.70000109.1D34 F140 D142 A169 D170 F173 A178 A179 S180D34-V176 HydrophobicContact CB-CG1 4.16Å; F140-V176 HydrophobicContact CB-CG2 3.5Å; D142-V176 HydrophobicContact CB-CG1 3.99Å; A169-V176 HydrophobicContact CB-CB 4.39Å; A169-V176 HydrophobicContact CB-CG1 3.95Å; A169-V176 HydrophobicContact CB-CG2 4.2Å; D170-V176 HydrophobicContact CB-CG1 4.23Å; F173-V176 HydrophobicContact CB-CB 4.31Å; F173-V176 HydrophobicContact CB-CG2 3.93Å; F173-V176 HydrophobicContact CD2-CG2 4.4Å; F173-V176 PolarHBondContact O-N 2.99Å; V176-A178 VanDerWaalsContact C-N 3.29Å; V176-A178 PolarHBondContact O-N 3Å; V176-A179 WeakPolarHBondContact O-CB 3.39Å; V176-A179 PolarHBondContact O-N 3.4Å; V176-S180 WeakPolarHBondContact O-CB 3.49Å; V176-S180 PolarHBondContact O-N 3.24Å
177S93.2Very high92.3Very high0 Ų024.4 Ų24.40%013%0.132CC..Hα-helixtrans-59.1-40.3172.3-131.80000112.6V65 A66 D170 F173 P174 S180 I181V65-S177 WeakPolarHBondContact O-CB 3.49Å; V65-S177 PolarHBondContact O-OG 2.72Å; A66-S177 VanDerWaalsContact CA-OG 3.31Å; A66-S177 WeakPolarHBondContact CA-OG 3.38Å; D170-S177 WeakPolarHBondContact O-CB 3.21Å; D170-S177 PolarHBondContact O-OG 2.81Å; F173-S177 PolarHBondContact O-N 3.49Å; P174-S177 WeakPolarHBondContact O-CB 3.33Å; P174-S177 PolarHBondContact O-N 3.21Å; S177-S180 VanDerWaalsContact O-CB 3.31Å; S177-S180 WeakPolarHBondContact O-CB 3.32Å; S177-S180 PolarHBondContact O-N 2.87Å; S177-I181 WeakPolarHBondContact O-CG1 3.49Å; S177-I181 PolarHBondContact O-N 2.89Å; S177-I181 VanDerWaalsContact O-N 3.08Å
178A93.8Very high92.3Very high0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-63.7-47.5174.300000111.4C50 L60 V65 M83 P174 V175 V176 S180 I181 F182C50-A178 HydrophobicContact CB-CB 3.92Å; C50-A178 VanDerWaalsContact SG-CB 3.56Å; L60-A178 HydrophobicContact CD1-CB 4.43Å; V65-A178 VanDerWaalsContact CG1-CA 3.5Å; V65-A178 HydrophobicContact CG1-CB 3.97Å; M83-A178 HydrophobicContact SD-CB 3.62Å; P174-A178 WeakPolarHBondContact O-CB 3.47Å; P174-A178 PolarHBondContact O-N 3.26Å; V175-A178 PolarHBondContact O-N 2.88Å; V176-A178 VanDerWaalsContact C-N 3.29Å; V176-A178 PolarHBondContact O-N 3Å; A178-S180 VanDerWaalsContact C-N 3.29Å; A178-S180 PolarHBondContact O-N 3.35Å; A178-I181 PolarHBondContact O-N 3.24Å; A178-I181 VanDerWaalsContact O-N 3.12Å; A178-F182 HydrophobicContact CB-CE2 4.25Å; A178-F182 WeakPolarHBondContact O-CD2 3.19Å; A178-F182 WeakPolarHBondContact O-CG 3.39Å; A178-F182 PolarHBondContact O-N 3.03Å
179A95.6Very high92.4Very high0 Ų019.6 Ų19.60%010%0.103CC..Hα-helixtrans-56.7-42.3174.100000111.9D34 A48 C50 V175 V176 I181 F182 A183D34-A179 HydrophobicContact CB-CB 3.94Å; A48-A179 HydrophobicContact CB-CB 4.23Å; A48-A179 WeakPolarHBondContact CB-O 3.42Å; C50-A179 HydrophobicContact CB-CB 4.17Å; V175-A179 PolarHBondContact O-N 3.21Å; V176-A179 WeakPolarHBondContact O-CB 3.39Å; V176-A179 PolarHBondContact O-N 3.4Å; A179-I181 VanDerWaalsContact C-N 3.34Å; A179-I181 PolarHBondContact O-N 2.9Å; A179-F182 PolarHBondContact O-N 3.08Å; A179-A183 WeakPolarHBondContact O-CB 3.26Å; A179-A183 PolarHBondContact O-N 2.97Å
180S94.3Very high92.4Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-55.9-45.5174162.90000112.2D34 S68 V176 S177 A178 K184D34-S180 WeakPolarHBondContact OD2-CB 3.41Å; S68-S180 PolarHBondContact OG-OG 3.02Å; V176-S180 WeakPolarHBondContact O-CB 3.49Å; V176-S180 PolarHBondContact O-N 3.24Å; S177-S180 VanDerWaalsContact O-CB 3.31Å; S177-S180 WeakPolarHBondContact O-CB 3.32Å; S177-S180 PolarHBondContact O-N 2.87Å; A178-S180 VanDerWaalsContact C-N 3.29Å; A178-S180 PolarHBondContact O-N 3.35Å; S180-K184 WeakPolarHBondContact O-CB 3.25Å; S180-K184 WeakPolarHBondContact O-CG 3.35Å; S180-K184 PolarHBondContact O-N 2.87Å; S180-K184 PolarHBondContact OG-NZ 3.26Å
181I93.4Very high92.5Very high0 Ų020.4 Ų20.40%011%0.109CC..Hα-helixtrans-64.3-48.8177-65.9-178.1000110.3V65 L71 R76 L79 M83 S177 A178 A179 A183 K184 V185V65-I181 HydrophobicContact CG1-CD1 3.51Å; V65-I181 HydrophobicContact CG1-CG1 4.32Å; L71-I181 HydrophobicContact CD1-CD1 4.23Å; R76-I181 HydrophobicContact CB-CG2 4.27Å; R76-I181 WeakPolarHBondContact O-CG2 3.13Å; L79-I181 HydrophobicContact CB-CD1 3.97Å; L79-I181 HydrophobicContact CB-CG2 4.45Å; L79-I181 HydrophobicContact CD1-CD1 3.56Å; L79-I181 HydrophobicContact CG-CD1 4.41Å; M83-I181 HydrophobicContact CE-CB 4.08Å; M83-I181 HydrophobicContact CE-CD1 4.27Å; M83-I181 HydrophobicContact CE-CG2 3.88Å; S177-I181 WeakPolarHBondContact O-CG1 3.49Å; S177-I181 PolarHBondContact O-N 2.89Å; S177-I181 VanDerWaalsContact O-N 3.08Å; A178-I181 PolarHBondContact O-N 3.24Å; A178-I181 VanDerWaalsContact O-N 3.12Å; A179-I181 VanDerWaalsContact C-N 3.34Å; A179-I181 PolarHBondContact O-N 2.9Å; I181-A183 VanDerWaalsContact C-N 3.35Å; I181-A183 PolarHBondContact O-N 2.73Å; I181-K184 PolarHBondContact O-N 2.97Å; I181-V185 HydrophobicContact CG2-CG2 4.07Å; I181-V185 WeakPolarHBondContact O-CB 3.26Å; I181-V185 WeakPolarHBondContact O-CG2 3.49Å; I181-V185 PolarHBondContact O-N 2.94Å
182F94Very high92.4Very high0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-55.9-48.1178.4-70.3-57.5000111.8A48 C50 F80 M83 W92 L94 A178 A179 K184 A186A48-F182 HydrophobicContact CB-CB 4.04Å; C50-F182 HydrophobicContact CB-CD2 4.04Å; C50-F182 HydrophobicContact CB-CE2 3.97Å; F80-F182 AromaticContact CD2-CD1 3.36Å; F80-F182 HydrophobicContact CD2-CD1 3.36Å; F80-F182 AromaticContact CD2-CE1 3.77Å; F80-F182 HydrophobicContact CD2-CE1 3.77Å; F80-F182 HydrophobicContact CD2-CG 4.48Å; F80-F182 AromaticContact CE2-CD1 3.36Å; F80-F182 HydrophobicContact CE2-CD1 3.36Å; F80-F182 AromaticContact CE2-CE1 3.85Å; F80-F182 HydrophobicContact CE2-CE1 3.85Å; F80-F182 HydrophobicContact CE2-CG 4.5Å; F80-F182 HydrophobicContact CG-CD1 4.25Å; F80-F182 HydrophobicContact CG-CE1 4.25Å; F80-F182 HydrophobicContact CZ-CD1 4.22Å; F80-F182 HydrophobicContact CZ-CE1 4.35Å; M83-F182 HydrophobicContact CB-CE1 4.26Å; M83-F182 HydrophobicContact CB-CZ 3.66Å; M83-F182 HydrophobicContact CE-CE1 4.2Å; M83-F182 HydrophobicContact CE-CE2 4.16Å; M83-F182 HydrophobicContact CE-CZ 3.92Å; M83-F182 HydrophobicContact CG-CZ 4.36Å; M83-F182 HydrophobicContact SD-CE2 3.92Å; M83-F182 HydrophobicContact SD-CZ 3.85Å; W92-F182 HydrophobicContact CB-CD1 4.48Å; W92-F182 HydrophobicContact CB-CD2 3.97Å; W92-F182 HydrophobicContact CB-CE1 4.33Å; W92-F182 HydrophobicContact CB-CE2 3.78Å; W92-F182 HydrophobicContact CB-CG 4.35Å; W92-F182 HydrophobicContact CB-CZ 3.97Å; W92-F182 AromaticContact CD1-CE1 3.67Å; W92-F182 AromaticContact CD1-CZ 3.6Å; W92-F182 HydrophobicContact CD2-CE1 4.44Å; W92-F182 HydrophobicContact CG-CD1 4.22Å; W92-F182 AromaticContact CG-CE1 3.91Å; W92-F182 HydrophobicContact CG-CE1 3.91Å; W92-F182 HydrophobicContact CG-CE2 4.21Å; W92-F182 AromaticContact CG-CZ 3.9Å; W92-F182 HydrophobicContact CG-CZ 3.9Å; L94-F182 HydrophobicContact CD2-CB 3.91Å; A178-F182 HydrophobicContact CB-CE2 4.25Å; A178-F182 WeakPolarHBondContact O-CD2 3.19Å; A178-F182 WeakPolarHBondContact O-CG 3.39Å; A178-F182 PolarHBondContact O-N 3.03Å; A179-F182 PolarHBondContact O-N 3.08Å; F182-K184 PolarHBondContact O-N 3.06Å; F182-A186 WeakPolarHBondContact O-CB 3.41Å; F182-A186 PolarHBondContact O-N 2.97Å
183A94.9Very high92Very high0 Ų022.3 Ų22.30%011%0.108CC..Hα-helixtrans-60.9-46.2178.300000112A36 V46 A48 A179 I181 R187A36-A183 VanDerWaalsContact CB-C 3.48Å; A36-A183 HydrophobicContact CB-CB 3.73Å; A36-A183 WeakPolarHBondContact CB-O 3.27Å; V46-A183 HydrophobicContact CG1-CB 4.4Å; A48-A183 HydrophobicContact CB-CB 3.69Å; A179-A183 WeakPolarHBondContact O-CB 3.26Å; A179-A183 PolarHBondContact O-N 2.97Å; I181-A183 VanDerWaalsContact C-N 3.35Å; I181-A183 PolarHBondContact O-N 2.73Å; A183-R187 WeakPolarHBondContact O-CB 3.07Å; A183-R187 PolarHBondContact O-N 3.44Å
184K93.4Very high91.6Very high49 Ų4921.7 Ų21.721%0.21311%0.105CC..Hα-helixtrans-70.9-41.5-176.4-67.1173.1175.5630112.5A36 S180 I181 F182 R187 D188A36-K184 HydrophobicContact CB-CB 4.3Å; A36-K184 HydrophobicContact CB-CG 3.77Å; S180-K184 WeakPolarHBondContact O-CB 3.25Å; S180-K184 WeakPolarHBondContact O-CG 3.35Å; S180-K184 PolarHBondContact O-N 2.87Å; S180-K184 PolarHBondContact OG-NZ 3.26Å; I181-K184 PolarHBondContact O-N 2.97Å; F182-K184 PolarHBondContact O-N 3.06Å; K184-R187 PolarHBondContact O-N 2.89Å; K184-D188 WeakPolarHBondContact O-CB 3.37Å; K184-D188 PolarHBondContact O-N 3.44Å
185V92.8Very high90.9Very high10 Ų1026.4 Ų26.46%0.06113%0.125CC..Hα-helixtrans-63.2-46.2175.8173.90000110.3M1 R76 E77 F80 I181 R187 D188 Q189M1-V185 HydrophobicContact CE-CB 4.49Å; M1-V185 HydrophobicContact CE-CG1 3.88Å; R76-V185 HydrophobicContact CB-CG2 3.7Å; E77-V185 HydrophobicContact CG-CG1 4.29Å; F80-V185 HydrophobicContact CB-CG1 4.43Å; F80-V185 HydrophobicContact CB-CG2 4.28Å; F80-V185 HydrophobicContact CD2-CB 4.04Å; F80-V185 HydrophobicContact CD2-CG1 3.93Å; F80-V185 HydrophobicContact CD2-CG2 4.45Å; F80-V185 HydrophobicContact CG-CG1 4.23Å; I181-V185 HydrophobicContact CG2-CG2 4.07Å; I181-V185 WeakPolarHBondContact O-CB 3.26Å; I181-V185 WeakPolarHBondContact O-CG2 3.49Å; I181-V185 PolarHBondContact O-N 2.94Å; V185-R187 VanDerWaalsContact C-N 3.31Å; V185-R187 PolarHBondContact O-N 2.92Å; V185-D188 PolarHBondContact O-N 3.2Å; V185-Q189 WeakPolarHBondContact O-CB 3.42Å; V185-Q189 PolarHBondContact O-N 2.75Å
186A92.9Very high90.4Very high0 Ų028.2 Ų28.20%013%0.133CC..Hα-helixtrans-62.3-40.2177.500000112.3M1 V46 L94 F182 A190M1-A186 HydrophobicContact CE-CB 3.76Å; M1-A186 HydrophobicContact SD-CB 3.58Å; M1-A186 VanDerWaalsContact SD-CB 3.58Å; V46-A186 HydrophobicContact CG1-CB 4.03Å; L94-A186 HydrophobicContact CD1-CB 3.58Å; F182-A186 WeakPolarHBondContact O-CB 3.41Å; F182-A186 PolarHBondContact O-N 2.97Å; A186-A190 WeakPolarHBondContact O-CB 3.33Å; A186-A190 PolarHBondContact O-N 2.97Å
187R93.4Very high89.6Confident18 Ų1832.1 Ų32.17%0.06816%0.156CC..Hα-helixtrans-60.7-52.2174.516755.2-174.3-173.5-15.3111.5A36 L42 P44 V46 A183 K184 V185 Q189 A190 V191A36-R187 HydrophobicContact CB-CB 3.97Å; A36-R187 HydrophobicContact CB-CG 4.38Å; L42-R187 PolarHBondContact O-NH2 3.12Å; P44-R187 PolarHBondContact O-NH1 3.27Å; V46-R187 HydrophobicContact CB-CB 4.4Å; V46-R187 HydrophobicContact CG2-CB 3.84Å; A183-R187 WeakPolarHBondContact O-CB 3.07Å; A183-R187 PolarHBondContact O-N 3.44Å; K184-R187 PolarHBondContact O-N 2.89Å; V185-R187 VanDerWaalsContact C-N 3.31Å; V185-R187 PolarHBondContact O-N 2.92Å; R187-Q189 VanDerWaalsContact C-N 3.3Å; R187-Q189 PolarHBondContact O-N 2.61Å; R187-A190 PolarHBondContact O-N 2.78Å; R187-V191 VanDerWaalsContact NE-CG1 3.34Å; R187-V191 PolarHBondContact O-N 2.98Å
188D90.4Very high89Confident39 Ų3934.5 Ų34.521%0.20917%0.168CC..Hα-helixtrans-62.7-40.4-177.4-67.1-13.2000110.7R76 K184 V185 V191 K192R76-D188 IonicContact CZ-OD2 2.56Å; R76-D188 IonicContact NH1-OD2 2.86Å; R76-D188 PolarHBondContact NH1-OD2 3.01Å; R76-D188 IonicContact NH2-OD2 3.82Å; R76-D188 PolarHBondContact NH2-OD2 3.45Å; K184-D188 WeakPolarHBondContact O-CB 3.37Å; K184-D188 PolarHBondContact O-N 3.44Å; V185-D188 PolarHBondContact O-N 3.2Å; D188-V191 WeakPolarHBondContact O-CG2 3.19Å; D188-V191 PolarHBondContact O-N 2.64Å; D188-K192 WeakPolarHBondContact O-CB 3.33Å; D188-K192 VanDerWaalsContact O-CG 3.31Å; D188-K192 WeakPolarHBondContact O-CG 3.36Å; D188-K192 PolarHBondContact O-N 3.39Å; D188-K192 VanDerWaalsContact O-N 3.07Å
189Q88.6Confident87.9Confident62 Ų6240.8 Ų40.829%0.2921%0.212SC..Hα-helixtrans-66.3-39.6174.7-163.4167.244.100112.2V185 R187 K192 N193V185-Q189 WeakPolarHBondContact O-CB 3.42Å; V185-Q189 PolarHBondContact O-N 2.75Å; R187-Q189 VanDerWaalsContact C-N 3.3Å; R187-Q189 PolarHBondContact O-N 2.61Å; Q189-K192 PolarHBondContact O-N 2.64Å; Q189-N193 WeakPolarHBondContact O-CB 3.47Å; Q189-N193 PolarHBondContact O-N 2.95Å
190A89.6Confident86.5Confident2 Ų244.8 Ų44.82%0.01723%0.233CC..Hα-helixtrans-68-33.8178.800000113.4L3 P44 A186 R187 W194L3-A190 HydrophobicContact CD1-CB 3.84Å; P44-A190 HydrophobicContact CG-CB 3.96Å; A186-A190 WeakPolarHBondContact O-CB 3.33Å; A186-A190 PolarHBondContact O-N 2.97Å; R187-A190 PolarHBondContact O-N 2.78Å; A190-W194 WeakPolarHBondContact O-CB 3.41Å; A190-W194 PolarHBondContact O-N 3.22Å
191V89.2Confident84.7Confident20 Ų2053.5 Ų53.512%0.12127%0.273CS..Hα-helixtrans-78.5-34.1176-61.90000112.8R187 D188 Y207R187-V191 VanDerWaalsContact NE-CG1 3.34Å; R187-V191 PolarHBondContact O-N 2.98Å; D188-V191 WeakPolarHBondContact O-CG2 3.19Å; D188-V191 PolarHBondContact O-N 2.64Å; V191-Y207 WeakPolarHBondContact CB-OH 3.37Å; V191-Y207 PolarHBondContact O-OH 2.99Å
192K85.1Confident83.2Confident121 Ų12160.3 Ų60.353%0.52631%0.31SS..Hα-helixtrans-66.7-41.1175.5-78.4177.1174.1178.10112.1E73 D188 Q189 W194E73-K192 WeakPolarHBondContact OE1-CE 3.41Å; E73-K192 IonicContact OE1-NZ 2.97Å; E73-K192 PolarHBondContact OE1-NZ 3.44Å; E73-K192 IonicContact OE2-NZ 3.73Å; E73-K192 PolarHBondContact OE2-NZ 3.34Å; D188-K192 WeakPolarHBondContact O-CB 3.33Å; D188-K192 VanDerWaalsContact O-CG 3.31Å; D188-K192 WeakPolarHBondContact O-CG 3.36Å; D188-K192 PolarHBondContact O-N 3.39Å; D188-K192 VanDerWaalsContact O-N 3.07Å; Q189-K192 PolarHBondContact O-N 2.64Å; K192-W194 VanDerWaalsContact C-N 3.32Å
193N82.4Confident81.9Confident86 Ų8662.6 Ų62.646%0.4632%0.322SS..THydrogen-bonded Turntrans-95.916.6-178.3-60.9-19.6000112.4Q189 Q195Q189-N193 WeakPolarHBondContact O-CB 3.47Å; Q189-N193 PolarHBondContact O-N 2.95Å; N193-Q195 PolarHBondContact O-N 3.06Å
194W84Confident80.8Confident29 Ų2965.6 Ų65.611%0.1134%0.338CS..PPolyproline II helixtrans-65.4120.1-176.5-171.5-92.8000110.7N10 P44 P99 A190 K192 F196 F234N10-W194 VanDerWaalsContact ND2-CH2 3.33Å; N10-W194 WeakPolarHBondContact ND2-CH2 3.42Å; N10-W194 WeakPolarHBondContact ND2-CZ2 3.48Å; N10-W194 WeakPolarHBondContact OD1-CH2 3.27Å; P44-W194 HydrophobicContact CB-CZ3 4.46Å; P44-W194 VanDerWaalsContact CD-CZ3 3.5Å; P44-W194 HydrophobicContact CG-CE3 4.34Å; P44-W194 HydrophobicContact CG-CZ3 3.91Å; P99-W194 HydrophobicContact CG-CH2 3.79Å; P99-W194 HydrophobicContact CG-CZ2 3.96Å; A190-W194 WeakPolarHBondContact O-CB 3.41Å; A190-W194 PolarHBondContact O-N 3.22Å; K192-W194 VanDerWaalsContact C-N 3.32Å; W194-F196 AromaticContact CD1-CD2 3.98Å; W194-F196 AromaticContact CD1-CE2 3.99Å; W194-F234 HydrophobicContact CB-CE2 4.07Å; W194-F234 AromaticContact CD1-CD2 3.51Å; W194-F234 AromaticContact CD1-CE2 3.86Å; W194-F234 AromaticContact CD1-CG 3.97Å; W194-F234 AromaticContact CD2-CD2 3.44Å; W194-F234 HydrophobicContact CD2-CD2 3.44Å; W194-F234 VanDerWaalsContact CD2-CD2 3.44Å; W194-F234 AromaticContact CD2-CE2 3.57Å; W194-F234 HydrophobicContact CD2-CE2 3.57Å; W194-F234 AromaticContact CE2-CD2 3.22Å; W194-F234 AromaticContact CE2-CE2 3.89Å; W194-F234 HydrophobicContact CE3-CD2 4.16Å; W194-F234 HydrophobicContact CE3-CE2 4.06Å; W194-F234 AromaticContact CG-CD2 3.61Å; W194-F234 HydrophobicContact CG-CD2 3.61Å; W194-F234 AromaticContact CG-CE2 3.55Å; W194-F234 HydrophobicContact CG-CE2 3.55Å; W194-F234 HydrophobicContact CG-CG 4.46Å; W194-F234 HydrophobicContact CG-CZ 4.42Å; W194-F234 HydrophobicContact CH2-CD2 4.41Å; W194-F234 HydrophobicContact CZ2-CB 4.44Å; W194-F234 AromaticContact CZ2-CD2 3.72Å; W194-F234 HydrophobicContact CZ2-CD2 3.72Å; W194-F234 AromaticContact NE1-CD2 3.28Å; W194-F234 VanDerWaalsContact NE1-CD2 3.28Å; W194-F234 AromaticContact NE1-CG 3.71Å
195Q79.2Confident80Confident115 Ų11567.8 Ų67.854%0.53736%0.359SS..PPolyproline II helixtrans-95.7121.4170.8-59.6-171.225.400108.6E7 N193E7-Q195 HydrophobicContact CG-CG 4.37Å; E7-Q195 PolarHBondContact OE1-NE2 2.91Å; E7-Q195 PolarHBondContact OE2-NE2 3.4Å; N193-Q195 PolarHBondContact O-N 3.06Å
196F82.2Confident79.7Confident42 Ų4271.3 Ų71.318%0.18438%0.378CS..PPolyproline II helixtrans-72.6134.5173.6-67.4-93.8000109.4W194 E198 L203 W220 P232 F234W194-F196 AromaticContact CD1-CD2 3.98Å; W194-F196 AromaticContact CD1-CE2 3.99Å; F196-E198 VanDerWaalsContact C-N 3.31Å; F196-L203 HydrophobicContact CB-CD1 3.41Å; F196-L203 VanDerWaalsContact CB-CD1 3.41Å; F196-L203 HydrophobicContact CD1-CD1 4.13Å; F196-L203 HydrophobicContact CD1-CD2 4.11Å; F196-L203 HydrophobicContact CD2-CB 4.49Å; F196-L203 HydrophobicContact CD2-CD1 3.79Å; F196-L203 HydrophobicContact CE1-CD2 4.24Å; F196-L203 HydrophobicContact CG-CD1 3.51Å; F196-L203 HydrophobicContact CG-CD2 4.26Å; F196-L203 HydrophobicContact CG-CG 4.43Å; F196-W220 HydrophobicContact CE1-CH2 4.26Å; F196-W220 HydrophobicContact CE1-CZ2 4.24Å; F196-W220 HydrophobicContact CZ-CZ2 4.21Å; F196-P232 HydrophobicContact CD1-CB 4.25Å; F196-P232 HydrophobicContact CE1-CG 4.47Å; F196-F234 HydrophobicContact CD1-CB 4.03Å; F196-F234 HydrophobicContact CE1-CB 3.5Å; F196-F234 AromaticContact CE1-CD1 3.84Å; F196-F234 HydrophobicContact CE1-CD1 3.84Å; F196-F234 AromaticContact CE1-CG 3.84Å; F196-F234 HydrophobicContact CE1-CG 3.84Å; F196-F234 HydrophobicContact CZ-CB 4.35Å; F196-F234 AromaticContact CZ-CD1 3.91Å; F196-F234 HydrophobicContact CZ-CD1 3.91Å; F196-F234 HydrophobicContact CZ-CE1 4.44Å; F196-F234 HydrophobicContact CZ-CG 4.21Å
197V79.6Confident79.4Confident81 Ų8172.7 Ų72.749%0.49138%0.383SS..SBendtrans-74.2-33.6178.5178.80000109.6N10N10-V197 HydrophobicContact CB-CG2 4.05Å
198E81.1Confident79.2Confident50 Ų5073.1 Ų73.123%0.23439%0.393CS..SBendtrans-73.4126.8179.8-56.479.6-178.600110.3F196 L200 P232 Q233F196-E198 VanDerWaalsContact C-N 3.31Å; E198-L200 HydrophobicContact CB-CD1 3.73Å; E198-L200 HydrophobicContact CB-CG 3.74Å; E198-L200 HydrophobicContact CG-CD1 4.43Å; E198-L200 PolarHBondContact O-N 3.31Å; E198-P232 HydrophobicContact CG-CB 4.33Å; E198-P232 WeakPolarHBondContact OE1-CA 3.38Å; E198-Q233 WeakPolarHBondContact OE1-CB 3.35Å; E198-Q233 VanDerWaalsContact OE1-CG 3.27Å; E198-Q233 WeakPolarHBondContact OE1-CG 2.73Å; E198-Q233 PolarHBondContact OE1-N 3.2Å
199S69.3Low79.1Confident132 Ų13274.2 Ų74.292%0.92340%0.404SS*.  trans-75.962172.3-57.60000110.7
200L66.6Low79.3Confident85 Ų8571.3 Ų71.345%0.44539%0.39SS..  trans-85.4127.2179.2-70166.3000109.4E198 L203 P232E198-L200 HydrophobicContact CB-CD1 3.73Å; E198-L200 HydrophobicContact CB-CG 3.74Å; E198-L200 HydrophobicContact CG-CD1 4.43Å; E198-L200 PolarHBondContact O-N 3.31Å; L200-L203 HydrophobicContact CB-CD1 3.82Å; L200-L203 HydrophobicContact CB-CD2 4.01Å; L200-L203 HydrophobicContact CB-CG 3.64Å; L200-L203 HydrophobicContact CD1-CD2 3.88Å; L200-L203 HydrophobicContact CD1-CG 4.41Å; L200-P232 HydrophobicContact CD1-CB 4.22Å
201Q56.3Low79.4Confident182 Ų18276.7 Ų76.785%0.8541%0.411SS*.THydrogen-bonded Turntrans-67135.9169.6-65.9175.4900107.9
202D61.7Low79.5Confident144 Ų14476.9 Ų76.977%0.7741%0.413SS*.THydrogen-bonded Turntrans64.640.7177.2-51.9-35.8000116.4D204D202-D204 PolarHBondContact O-N 2.91Å
203L67.7Low79.8Confident47 Ų4777.6 Ų77.625%0.24642%0.422CS..  trans-64104.9167.1-79.5166.5000110.6F196 L200 S205F196-L203 HydrophobicContact CB-CD1 3.41Å; F196-L203 VanDerWaalsContact CB-CD1 3.41Å; F196-L203 HydrophobicContact CD1-CD1 4.13Å; F196-L203 HydrophobicContact CD1-CD2 4.11Å; F196-L203 HydrophobicContact CD2-CB 4.49Å; F196-L203 HydrophobicContact CD2-CD1 3.79Å; F196-L203 HydrophobicContact CE1-CD2 4.24Å; F196-L203 HydrophobicContact CG-CD1 3.51Å; F196-L203 HydrophobicContact CG-CD2 4.26Å; F196-L203 HydrophobicContact CG-CG 4.43Å; L200-L203 HydrophobicContact CB-CD1 3.82Å; L200-L203 HydrophobicContact CB-CD2 4.01Å; L200-L203 HydrophobicContact CB-CG 3.64Å; L200-L203 HydrophobicContact CD1-CD2 3.88Å; L200-L203 HydrophobicContact CD1-CG 4.41Å; L203-S205 PolarHBondContact O-N 3.34Å
204D72.5Confident80.4Confident64 Ų6475.2 Ų75.234%0.34241%0.41SS..  trans-74.1112.4173.8-164.4-9.4000108.6D202 D206 W220 K223D202-D204 PolarHBondContact O-N 2.91Å; D204-D206 PolarHBondContact O-N 3.18Å; D204-D206 WeakPolarHBondContact OD1-CB 3.45Å; D204-D206 PolarHBondContact OD1-N 2.85Å; D204-D206 VanDerWaalsContact OD1-N 3.08Å; D204-W220 PolarHBondContact O-NE1 2.95Å; D204-K223 IonicContact OD2-NZ 2.78Å
205S76.6Confident80.8Confident94 Ų9478.8 Ų78.866%0.65744%0.436SS*.SBendtrans-72.8-2.217556.10000112.6L203 Y207L203-S205 PolarHBondContact O-N 3.34Å; S205-Y207 WeakPolarHBondContact O-CD1 3.42Å; S205-Y207 VanDerWaalsContact O-CE1 3.26Å; S205-Y207 WeakPolarHBondContact O-CE1 3.07Å; S205-Y207 PolarHBondContact O-N 2.75Å
206D85.7Confident81.5Confident84 Ų8477.6 Ų77.645%0.44943%0.429SS..  trans-92.361.3-178.5-162.113000113.3D204 G208 K216D204-D206 PolarHBondContact O-N 3.18Å; D204-D206 WeakPolarHBondContact OD1-CB 3.45Å; D204-D206 PolarHBondContact OD1-N 2.85Å; D204-D206 VanDerWaalsContact OD1-N 3.08Å; D206-G208 VanDerWaalsContact C-N 3.28Å; D206-G208 PolarHBondContact O-N 2.82Å; D206-K216 WeakPolarHBondContact O-CE 3.48Å; D206-K216 WeakPolarHBondContact OD1-CE 3.45Å; D206-K216 IonicContact OD1-NZ 3.73Å; D206-K216 PolarHBondContact OD1-NZ 3.35Å; D206-K216 WeakPolarHBondContact OD2-CE 3.24Å; D206-K216 IonicContact OD2-NZ 2.59Å; D206-K216 PolarHBondContact OD2-NZ 2.82Å
207Y86.9Confident82.1Confident29 Ų2975.6 Ų75.611%0.11442%0.421CS..  trans-82.13.1-179.150.2-101.6000115L42 V191 S205 T217 F234L42-Y207 HydrophobicContact CD1-CD2 3.92Å; L42-Y207 HydrophobicContact CD1-CG 3.86Å; V191-Y207 WeakPolarHBondContact CB-OH 3.37Å; V191-Y207 PolarHBondContact O-OH 2.99Å; S205-Y207 WeakPolarHBondContact O-CD1 3.42Å; S205-Y207 VanDerWaalsContact O-CE1 3.26Å; S205-Y207 WeakPolarHBondContact O-CE1 3.07Å; S205-Y207 PolarHBondContact O-N 2.75Å; Y207-T217 VanDerWaalsContact O-CA 3.22Å; Y207-T217 WeakPolarHBondContact O-CA 3.5Å; Y207-T217 WeakPolarHBondContact O-CB 3.23Å; Y207-T217 PolarHBondContact O-N 2.61Å; Y207-T217 PolarHBondContact O-OG1 2.79Å; Y207-F234 AromaticContact CD1-CE1 3.78Å; Y207-F234 HydrophobicContact CD1-CE1 3.78Å; Y207-F234 HydrophobicContact CD1-CZ 4.46Å; Y207-F234 HydrophobicContact CD2-CE1 4.31Å; Y207-F234 AromaticContact CE1-CE1 3.7Å; Y207-F234 HydrophobicContact CE1-CE1 3.7Å; Y207-F234 AromaticContact CE1-CZ 3.93Å; Y207-F234 HydrophobicContact CE1-CZ 3.93Å; Y207-F234 HydrophobicContact CE2-CE1 4.24Å; Y207-F234 HydrophobicContact CE2-CZ 4.27Å; Y207-F234 HydrophobicContact CG-CE1 4.1Å; Y207-F234 AromaticContact CZ-CE1 3.96Å; Y207-F234 AromaticContact CZ-CZ 3.84Å
208G89.3Confident82.8Confident27 Ų2775.1 Ų75.128%0.27841%0.412SS..THydrogen-bonded Turntrans74.3-147-176.400000113.3D206 G210D206-G208 VanDerWaalsContact C-N 3.28Å; D206-G208 PolarHBondContact O-N 2.82Å; G208-G210 VanDerWaalsContact C-N 3.26Å; G208-G210 PolarHBondContact O-N 3.17Å
209S88.3Confident83.3Confident62 Ų6275.4 Ų75.443%0.43442%0.423SS..THydrogen-bonded Turntrans-73.4-15.8-175.966.40000114.3Y211 D214S209-Y211 WeakPolarHBondContact O-CD2 3.32Å; S209-Y211 PolarHBondContact O-N 3.41Å; S209-Y211 PolarHBondContact OG-N 3.38Å; S209-D214 VanDerWaalsContact CB-OD2 3.24Å; S209-D214 WeakPolarHBondContact CB-OD2 3.27Å; S209-D214 PolarHBondContact N-OD2 3.32Å; S209-D214 WeakPolarHBondContact OG-CB 3.47Å; S209-D214 PolarHBondContact OG-OD2 2.87Å
210G91.6Very high84.5Confident1 Ų169.5 Ų69.51%0.0138%0.38CS..  trans77.7-0.3-174.700000114.1P40 V41 L42 G208 T217P40-G210 CarbonylContact C-O 3.51Å; P40-G210 VanDerWaalsContact CA-O 3.27Å; P40-G210 WeakPolarHBondContact CA-O 3.34Å; P40-G210 WeakPolarHBondContact CB-O 3.3Å; V41-G210 WeakPolarHBondContact CG1-O 3Å; V41-G210 PolarHBondContact N-O 3.2Å; L42-G210 PolarHBondContact N-O 3.43Å; G208-G210 VanDerWaalsContact C-N 3.26Å; G208-G210 PolarHBondContact O-N 3.17Å; G210-T217 WeakPolarHBondContact CA-OG1 3.4Å; G210-T217 PolarHBondContact N-OG1 3Å
211Y93.1Very high85.8Confident116 Ų11665.4 Ų65.446%0.45536%0.359SS..  trans-82.1144.6176.7-76.6-93000111.8P40 S209 N213 D214P40-Y211 HydrophobicContact CG-CD1 4.29Å; P40-Y211 HydrophobicContact CG-CD2 4.2Å; P40-Y211 HydrophobicContact CG-CE1 3.93Å; P40-Y211 HydrophobicContact CG-CE2 3.83Å; P40-Y211 HydrophobicContact CG-CG 4.42Å; S209-Y211 WeakPolarHBondContact O-CD2 3.32Å; S209-Y211 PolarHBondContact O-N 3.41Å; S209-Y211 PolarHBondContact OG-N 3.38Å; Y211-N213 PolarHBondContact O-N 2.9Å; Y211-D214 WeakPolarHBondContact O-CB 3.33Å; Y211-D214 PolarHBondContact O-N 2.92Å; Y211-D214 VanDerWaalsContact O-N 3.08Å
212P91Very high87.5Confident23 Ų2363.3 Ų63.315%0.14934%0.343CS..THydrogen-bonded Turntrans-63.8-17.2-178.326.1-35.4000113.7V41 K218 T241V41-P212 HydrophobicContact CG1-CB 4.42Å; P212-K218 WeakPolarHBondContact O-CE 3.4Å; P212-T241 HydrophobicContact CB-CG2 4.29Å; P212-T241 WeakPolarHBondContact CB-OG1 3.35Å
213N91.7Very high88.9Confident136 Ų13662.9 Ų62.973%0.72734%0.335SS*.THydrogen-bonded Turntrans-89.4-12.2178.9-68.1-23.9000113.7Y211 P215Y211-N213 PolarHBondContact O-N 2.9Å; N213-P215 WeakPolarHBondContact O-CD 3.49Å
214D93.5Very high90Very high37 Ų3762 Ų6220%0.19833%0.329CS..  trans-75.5122.7-178.4-177.3-10.7000110.9S209 Y211 K216 T217 K218S209-D214 VanDerWaalsContact CB-OD2 3.24Å; S209-D214 WeakPolarHBondContact CB-OD2 3.27Å; S209-D214 PolarHBondContact N-OD2 3.32Å; S209-D214 WeakPolarHBondContact OG-CB 3.47Å; S209-D214 PolarHBondContact OG-OD2 2.87Å; Y211-D214 WeakPolarHBondContact O-CB 3.33Å; Y211-D214 PolarHBondContact O-N 2.92Å; Y211-D214 VanDerWaalsContact O-N 3.08Å; D214-K216 PolarHBondContact O-N 3.31Å; D214-K216 WeakPolarHBondContact OD1-CB 3.49Å; D214-K216 PolarHBondContact OD1-N 3.04Å; D214-T217 PolarHBondContact O-N 2.91Å; D214-K218 WeakPolarHBondContact O-CG 3.48Å; D214-K218 PolarHBondContact O-N 3.02Å
215P93.7Very high91Very high103 Ų10360.2 Ų60.267%0.66932%0.321SS*.Hα-helixtrans-54.5-36.4175.8-25.634.9000113.4N213 K218 A219N213-P215 WeakPolarHBondContact O-CD 3.49Å; P215-K218 PolarHBondContact O-N 2.83Å; P215-A219 WeakPolarHBondContact O-CB 3.17Å; P215-A219 PolarHBondContact O-N 2.7Å
216K94.2Very high91.7Very high90 Ų9059 Ų5939%0.39131%0.307SS..Hα-helixtrans-69.7-43.8-178.7-168.8170.2-171.3179.60111.5D206 D214 K218 A219 W220D206-K216 WeakPolarHBondContact O-CE 3.48Å; D206-K216 WeakPolarHBondContact OD1-CE 3.45Å; D206-K216 IonicContact OD1-NZ 3.73Å; D206-K216 PolarHBondContact OD1-NZ 3.35Å; D206-K216 WeakPolarHBondContact OD2-CE 3.24Å; D206-K216 IonicContact OD2-NZ 2.59Å; D206-K216 PolarHBondContact OD2-NZ 2.82Å; D214-K216 PolarHBondContact O-N 3.31Å; D214-K216 WeakPolarHBondContact OD1-CB 3.49Å; D214-K216 PolarHBondContact OD1-N 3.04Å; K216-K218 PolarHBondContact O-N 2.72Å; K216-A219 PolarHBondContact O-N 2.77Å; K216-W220 WeakPolarHBondContact O-CB 3.36Å; K216-W220 PolarHBondContact O-N 2.92Å
217T94.2Very high92.1Very high0 Ų058.2 Ų58.20%031%0.306CS..Hα-helixtrans-62.7-41.1174.3-59.10000111.9V41 L42 Y207 G210 D214 A219 W220 L221V41-T217 HydrophobicContact CG1-CG2 3.8Å; L42-T217 HydrophobicContact CD1-CG2 3.79Å; L42-T217 HydrophobicContact CG-CG2 4.05Å; Y207-T217 VanDerWaalsContact O-CA 3.22Å; Y207-T217 WeakPolarHBondContact O-CA 3.5Å; Y207-T217 WeakPolarHBondContact O-CB 3.23Å; Y207-T217 PolarHBondContact O-N 2.61Å; Y207-T217 PolarHBondContact O-OG1 2.79Å; G210-T217 WeakPolarHBondContact CA-OG1 3.4Å; G210-T217 PolarHBondContact N-OG1 3Å; D214-T217 PolarHBondContact O-N 2.91Å; T217-A219 VanDerWaalsContact C-N 3.35Å; T217-A219 PolarHBondContact O-N 3.08Å; T217-W220 PolarHBondContact O-N 3.33Å; T217-L221 HydrophobicContact CG2-CD1 4.41Å; T217-L221 WeakPolarHBondContact O-CG 3.43Å; T217-L221 PolarHBondContact O-N 3.34Å
218K93.1Very high92.4Very high72 Ų7261.9 Ų61.931%0.31333%0.331SS..Hα-helixtrans-62.7-41.1174.3-69.6-179.8-173.1178.60112.4P212 D214 P215 K216 R222P212-K218 WeakPolarHBondContact O-CE 3.4Å; D214-K218 WeakPolarHBondContact O-CG 3.48Å; D214-K218 PolarHBondContact O-N 3.02Å; P215-K218 PolarHBondContact O-N 2.83Å; K216-K218 PolarHBondContact O-N 2.72Å; K218-R222 WeakPolarHBondContact O-CG 3.37Å; K218-R222 PolarHBondContact O-N 3.32Å
219A93.1Very high92.5Very high56 Ų5668.4 Ų68.446%0.46335%0.353SS..Hα-helixtrans-65.3-41.7176.800000111.3P215 K216 T217 R222 K223P215-A219 WeakPolarHBondContact O-CB 3.17Å; P215-A219 PolarHBondContact O-N 2.7Å; K216-A219 PolarHBondContact O-N 2.77Å; T217-A219 VanDerWaalsContact C-N 3.35Å; T217-A219 PolarHBondContact O-N 3.08Å; A219-R222 PolarHBondContact O-N 3.41Å; A219-K223 WeakPolarHBondContact O-CB 3.31Å; A219-K223 PolarHBondContact O-N 2.98Å; A219-K223 VanDerWaalsContact O-N 3.08Å
220W93.8Very high92.8Very high7 Ų765.7 Ų65.73%0.02733%0.334CS..Hα-helixtrans-61.2-45.7175.9-171.795.7000111.8L42 F196 D204 K216 T217 K223 H224 P232 F234 V235L42-W220 HydrophobicContact CD1-CE3 4.02Å; L42-W220 HydrophobicContact CD1-CZ3 4.31Å; L42-W220 HydrophobicContact CD2-CE3 4.26Å; L42-W220 HydrophobicContact CD2-CZ3 3.92Å; F196-W220 HydrophobicContact CE1-CH2 4.26Å; F196-W220 HydrophobicContact CE1-CZ2 4.24Å; F196-W220 HydrophobicContact CZ-CZ2 4.21Å; D204-W220 PolarHBondContact O-NE1 2.95Å; K216-W220 WeakPolarHBondContact O-CB 3.36Å; K216-W220 PolarHBondContact O-N 2.92Å; T217-W220 PolarHBondContact O-N 3.33Å; W220-K223 PolarHBondContact O-N 3Å; W220-H224 AromaticContact CD1-CE1 3.54Å; W220-H224 AromaticContact CD1-ND1 3.83Å; W220-H224 AromaticContact CD2-ND1 3.6Å; W220-H224 AromaticContact CE2-CE1 3.59Å; W220-H224 AromaticContact CE2-ND1 3.5Å; W220-H224 AromaticContact CG-CE1 4Å; W220-H224 AromaticContact CG-ND1 3.82Å; W220-H224 HydrophobicContact CH2-CB 4.5Å; W220-H224 AromaticContact NE1-CE1 3.27Å; W220-H224 PolarHBondContact NE1-CE1 3.23Å; W220-H224 VanDerWaalsContact NE1-CE1 3.27Å; W220-H224 AromaticContact NE1-ND1 3.64Å; W220-H224 PolarHBondContact O-N 3.39Å; W220-H224 PolarHBondContact O-ND1 3.42Å; W220-P232 HydrophobicContact CH2-CG 3.86Å; W220-F234 HydrophobicContact CH2-CD1 4.42Å; W220-V235 HydrophobicContact CH2-CG2 4.41Å; W220-V235 HydrophobicContact CZ3-CG2 3.82Å
221L93.3Very high92.9Very high0 Ų066.3 Ų66.30%034%0.336CS..Hα-helixtrans-56.6-55.3176.7-74.2168000111V41 L42 T217 K223 H224 V225 F231 V235 T241 I245V41-L221 HydrophobicContact CG1-CD1 4.02Å; V41-L221 HydrophobicContact CG2-CD1 4.42Å; L42-L221 HydrophobicContact CD2-CD2 3.9Å; T217-L221 HydrophobicContact CG2-CD1 4.41Å; T217-L221 WeakPolarHBondContact O-CG 3.43Å; T217-L221 PolarHBondContact O-N 3.34Å; L221-K223 PolarHBondContact O-N 3.11Å; L221-H224 CarbonylContact O-C 3.53Å; L221-H224 PolarHBondContact O-N 3.07Å; L221-V225 WeakPolarHBondContact O-CG2 3.39Å; L221-F231 HydrophobicContact CB-CE1 4.14Å; L221-F231 HydrophobicContact CB-CZ 4.41Å; L221-F231 HydrophobicContact CD2-CD1 4.24Å; L221-F231 HydrophobicContact CD2-CE1 3.9Å; L221-F231 HydrophobicContact CD2-CZ 4.15Å; L221-F231 WeakPolarHBondContact O-CE1 3.4Å; L221-V235 HydrophobicContact CD2-CB 4.48Å; L221-V235 HydrophobicContact CD2-CG1 3.72Å; L221-V235 HydrophobicContact CD2-CG2 3.86Å; L221-T241 HydrophobicContact CD1-CG2 4.44Å; L221-I245 HydrophobicContact CB-CD1 3.81Å; L221-I245 HydrophobicContact CD1-CD1 4.05Å
222R92.2Very high92.9Very high137 Ų13761 Ų6152%0.51732%0.316SS..Hα-helixtrans-59.7-31.6-179.5-66.1-170.4-171.9108.2-2.5114.1K218 A219 H224 I245 E249K218-R222 WeakPolarHBondContact O-CG 3.37Å; K218-R222 PolarHBondContact O-N 3.32Å; A219-R222 PolarHBondContact O-N 3.41Å; R222-H224 VanDerWaalsContact C-N 3.31Å; R222-I245 HydrophobicContact CG-CD1 4.49Å; R222-E249 WeakPolarHBondContact CD-OE1 3.38Å; R222-E249 WeakPolarHBondContact CG-OE1 3.49Å; R222-E249 IonicContact NE-OE1 2.61Å
223K91.4Very high92.9Very high135 Ų13562.5 Ų62.559%0.58732%0.321SS*.Hα-helixtrans-70.5-28.1177.6-177.7-178.6169.6-165.80112.4D204 A219 W220 L221D204-K223 IonicContact OD2-NZ 2.78Å; A219-K223 WeakPolarHBondContact O-CB 3.31Å; A219-K223 PolarHBondContact O-N 2.98Å; A219-K223 VanDerWaalsContact O-N 3.08Å; W220-K223 PolarHBondContact O-N 3Å; L221-K223 PolarHBondContact O-N 3.11Å
224H91.4Very high92.9Very high28 Ų2856 Ų5613%0.1329%0.286CS..THydrogen-bonded Turntrans-11437.2-172.6-58.989.9000112.3W220 L221 R222 F231W220-H224 AromaticContact CD1-CE1 3.54Å; W220-H224 AromaticContact CD1-ND1 3.83Å; W220-H224 AromaticContact CD2-ND1 3.6Å; W220-H224 AromaticContact CE2-CE1 3.59Å; W220-H224 AromaticContact CE2-ND1 3.5Å; W220-H224 AromaticContact CG-CE1 4Å; W220-H224 AromaticContact CG-ND1 3.82Å; W220-H224 HydrophobicContact CH2-CB 4.5Å; W220-H224 AromaticContact NE1-CE1 3.27Å; W220-H224 PolarHBondContact NE1-CE1 3.23Å; W220-H224 VanDerWaalsContact NE1-CE1 3.27Å; W220-H224 AromaticContact NE1-ND1 3.64Å; W220-H224 PolarHBondContact O-N 3.39Å; W220-H224 PolarHBondContact O-ND1 3.42Å; L221-H224 CarbonylContact O-C 3.53Å; L221-H224 PolarHBondContact O-N 3.07Å; R222-H224 VanDerWaalsContact C-N 3.31Å; H224-F231 WeakPolarHBondContact O-CD1 3.22Å
225V92.3Very high93Very high28 Ų2854.2 Ų54.217%0.1728%0.277CS..  trans-92.4116.7169.1-173.70000109L221 G230 F231 I245 E249 A250L221-V225 WeakPolarHBondContact O-CG2 3.39Å; V225-G230 CarbonylContact C-O 3.53Å; V225-G230 WeakPolarHBondContact CA-O 3.41Å; V225-F231 HydrophobicContact CB-CE1 4.43Å; V225-F231 HydrophobicContact CG2-CD1 4.3Å; V225-F231 HydrophobicContact CG2-CE1 3.45Å; V225-F231 VanDerWaalsContact CG2-CE1 3.45Å; V225-F231 HydrophobicContact CG2-CZ 3.87Å; V225-I245 HydrophobicContact CG2-CG2 3.65Å; V225-E249 HydrophobicContact CG1-CB 4.11Å; V225-E249 HydrophobicContact CG2-CB 4.45Å; V225-A250 HydrophobicContact CG1-CB 4.16Å
226D92.6Very high93.1Very high68 Ų6849.3 Ų49.336%0.36425%0.245SC..BIsolated β-bridgetrans-84.4134.5163.8-176.5-89.6000109.8V228 F229 G230D226-V228 PolarHBondContact O-N 2.82Å; D226-V228 WeakPolarHBondContact OD1-CA 3.39Å; D226-V228 PolarHBondContact OD1-N 3.21Å; D226-F229 HydrophobicContact CB-CB 4.24Å; D226-F229 WeakPolarHBondContact OD1-CD2 3.28Å; D226-F229 PolarHBondContact OD1-N 2.76Å; D226-G230 PolarHBondContact N-O 3.34Å; D226-G230 VanDerWaalsContact O-CA 3.24Å; D226-G230 WeakPolarHBondContact O-CA 3.41Å; D226-G230 PolarHBondContact O-N 2.8Å
227P92.8Very high93.2Very high68 Ų6847.4 Ų47.444%0.44224%0.237SC..THydrogen-bonded Turntrans-58.6-31-178-26.134.6000114.4E251P227-E251 HydrophobicContact CB-CG 4.36Å; P227-E251 WeakPolarHBondContact O-CB 3.22Å; P227-E251 WeakPolarHBondContact O-CG 3.5Å; P227-E251 PolarHBondContact O-N 3.39Å
228V93.1Very high93.2Very high105 Ų10548.1 Ų48.164%0.63624%0.242SC*.THydrogen-bonded Turntrans-101-48.2-175.2-179.80000111D226D226-V228 PolarHBondContact O-N 2.82Å; D226-V228 WeakPolarHBondContact OD1-CA 3.39Å; D226-V228 PolarHBondContact OD1-N 3.21Å
229F92.6Very high93.4Very high165 Ų16546.2 Ų46.272%0.72423%0.233SC*.THydrogen-bonded Turntrans-91.2-12.4-173.7-63.4-72.5000113.6D226 F231D226-F229 HydrophobicContact CB-CB 4.24Å; D226-F229 WeakPolarHBondContact OD1-CD2 3.28Å; D226-F229 PolarHBondContact OD1-N 2.76Å; F229-F231 PolarHBondContact O-N 3.46Å; F229-F231 VanDerWaalsContact O-N 3.16Å
230G93.9Very high93.4Very high4 Ų447.6 Ų47.64%0.04124%0.239CC..BIsolated β-bridgetrans73.2-102.8-17800000111.8V225 D226V225-G230 CarbonylContact C-O 3.53Å; V225-G230 WeakPolarHBondContact CA-O 3.41Å; D226-G230 PolarHBondContact N-O 3.34Å; D226-G230 VanDerWaalsContact O-CA 3.24Å; D226-G230 WeakPolarHBondContact O-CA 3.41Å; D226-G230 PolarHBondContact O-N 2.8Å
231F93.8Very high93.4Very high14 Ų1449 Ų496%0.06125%0.248CC..SBendtrans-116.9161.7-172.7-67.3-61.9000113L221 H224 V225 F229 V235 F237 A242 I245 L246L221-F231 HydrophobicContact CB-CE1 4.14Å; L221-F231 HydrophobicContact CB-CZ 4.41Å; L221-F231 HydrophobicContact CD2-CD1 4.24Å; L221-F231 HydrophobicContact CD2-CE1 3.9Å; L221-F231 HydrophobicContact CD2-CZ 4.15Å; L221-F231 WeakPolarHBondContact O-CE1 3.4Å; H224-F231 WeakPolarHBondContact O-CD1 3.22Å; V225-F231 HydrophobicContact CB-CE1 4.43Å; V225-F231 HydrophobicContact CG2-CD1 4.3Å; V225-F231 HydrophobicContact CG2-CE1 3.45Å; V225-F231 VanDerWaalsContact CG2-CE1 3.45Å; V225-F231 HydrophobicContact CG2-CZ 3.87Å; F229-F231 PolarHBondContact O-N 3.46Å; F229-F231 VanDerWaalsContact O-N 3.16Å; F231-V235 HydrophobicContact CB-CB 3.7Å; F231-V235 HydrophobicContact CB-CG1 4.15Å; F231-V235 HydrophobicContact CB-CG2 3.63Å; F231-V235 HydrophobicContact CD1-CG2 4.16Å; F231-V235 HydrophobicContact CD2-CB 4.39Å; F231-V235 HydrophobicContact CD2-CG1 3.88Å; F231-V235 HydrophobicContact CE2-CG1 4.42Å; F231-V235 HydrophobicContact CG-CB 4.07Å; F231-V235 HydrophobicContact CG-CG1 3.99Å; F231-V235 HydrophobicContact CG-CG2 3.93Å; F231-F237 HydrophobicContact CB-CE1 4.07Å; F231-F237 HydrophobicContact CB-CE2 4.22Å; F231-F237 HydrophobicContact CB-CZ 3.67Å; F231-F237 HydrophobicContact CD2-CE1 4.21Å; F231-F237 WeakPolarHBondContact O-CZ 3.4Å; F231-A242 HydrophobicContact CD2-CB 4.37Å; F231-A242 HydrophobicContact CE2-CB 3.92Å; F231-I245 HydrophobicContact CE1-CG2 4.47Å; F231-I245 HydrophobicContact CZ-CB 4.01Å; F231-I245 HydrophobicContact CZ-CG2 3.74Å; F231-L246 HydrophobicContact CD2-CD1 4.1Å; F231-L246 HydrophobicContact CD2-CD2 3.79Å; F231-L246 HydrophobicContact CD2-CG 3.98Å; F231-L246 HydrophobicContact CE2-CD1 4.09Å; F231-L246 HydrophobicContact CE2-CD2 3.71Å; F231-L246 HydrophobicContact CE2-CG 3.61Å; F231-L246 HydrophobicContact CZ-CD2 4.39Å; F231-L246 HydrophobicContact CZ-CG 4.48Å
232P92.3Very high93.5Very high4 Ų449 Ų493%0.02625%0.248CC..  trans-66.9157.3164.528.9-34.6000111.5F196 E198 L200 W220 F234 V235F196-P232 HydrophobicContact CD1-CB 4.25Å; F196-P232 HydrophobicContact CE1-CG 4.47Å; E198-P232 HydrophobicContact CG-CB 4.33Å; E198-P232 WeakPolarHBondContact OE1-CA 3.38Å; L200-P232 HydrophobicContact CD1-CB 4.22Å; W220-P232 HydrophobicContact CH2-CG 3.86Å; P232-F234 PolarHBondContact O-N 3.16Å; P232-V235 HydrophobicContact CG-CG2 4.26Å; P232-V235 PolarHBondContact O-N 2.95Å
233Q91.6Very high93.6Very high55 Ų5546 Ų4626%0.25724%0.24SC..THydrogen-bonded Turntrans-58.7-14.3-179-76.1-178.414.900114.5P99 N100 E198 V235P99-Q233 WeakPolarHBondContact CB-O 3.37Å; P99-Q233 WeakPolarHBondContact CG-O 3.4Å; N100-Q233 HydrophobicContact CB-CB 4.46Å; E198-Q233 WeakPolarHBondContact OE1-CB 3.35Å; E198-Q233 VanDerWaalsContact OE1-CG 3.27Å; E198-Q233 WeakPolarHBondContact OE1-CG 2.73Å; E198-Q233 PolarHBondContact OE1-N 3.2Å; Q233-V235 PolarHBondContact O-N 2.94Å
234F92.4Very high93.8Very high0 Ų041.4 Ų41.40%023%0.228CC..THydrogen-bonded Turntrans-64.7-24.8172.3-170.1-128.2000113.2L42 G43 P99 W194 F196 Y207 W220 P232L42-F234 HydrophobicContact CB-CD1 4.16Å; L42-F234 HydrophobicContact CB-CE1 3.8Å; L42-F234 HydrophobicContact CB-CZ 4.32Å; L42-F234 HydrophobicContact CD1-CE1 4.24Å; L42-F234 HydrophobicContact CD2-CD1 4.37Å; L42-F234 HydrophobicContact CG-CE1 4.48Å; G43-F234 PolarHBondContact N-O 3.38Å; P99-F234 WeakPolarHBondContact CB-O 3.5Å; P99-F234 HydrophobicContact CG-CD2 4.37Å; P99-F234 WeakPolarHBondContact CG-O 3.4Å; W194-F234 HydrophobicContact CB-CE2 4.07Å; W194-F234 AromaticContact CD1-CD2 3.51Å; W194-F234 AromaticContact CD1-CE2 3.86Å; W194-F234 AromaticContact CD1-CG 3.97Å; W194-F234 AromaticContact CD2-CD2 3.44Å; W194-F234 HydrophobicContact CD2-CD2 3.44Å; W194-F234 VanDerWaalsContact CD2-CD2 3.44Å; W194-F234 AromaticContact CD2-CE2 3.57Å; W194-F234 HydrophobicContact CD2-CE2 3.57Å; W194-F234 AromaticContact CE2-CD2 3.22Å; W194-F234 AromaticContact CE2-CE2 3.89Å; W194-F234 HydrophobicContact CE3-CD2 4.16Å; W194-F234 HydrophobicContact CE3-CE2 4.06Å; W194-F234 AromaticContact CG-CD2 3.61Å; W194-F234 HydrophobicContact CG-CD2 3.61Å; W194-F234 AromaticContact CG-CE2 3.55Å; W194-F234 HydrophobicContact CG-CE2 3.55Å; W194-F234 HydrophobicContact CG-CG 4.46Å; W194-F234 HydrophobicContact CG-CZ 4.42Å; W194-F234 HydrophobicContact CH2-CD2 4.41Å; W194-F234 HydrophobicContact CZ2-CB 4.44Å; W194-F234 AromaticContact CZ2-CD2 3.72Å; W194-F234 HydrophobicContact CZ2-CD2 3.72Å; W194-F234 AromaticContact NE1-CD2 3.28Å; W194-F234 VanDerWaalsContact NE1-CD2 3.28Å; W194-F234 AromaticContact NE1-CG 3.71Å; F196-F234 HydrophobicContact CD1-CB 4.03Å; F196-F234 HydrophobicContact CE1-CB 3.5Å; F196-F234 AromaticContact CE1-CD1 3.84Å; F196-F234 HydrophobicContact CE1-CD1 3.84Å; F196-F234 AromaticContact CE1-CG 3.84Å; F196-F234 HydrophobicContact CE1-CG 3.84Å; F196-F234 HydrophobicContact CZ-CB 4.35Å; F196-F234 AromaticContact CZ-CD1 3.91Å; F196-F234 HydrophobicContact CZ-CD1 3.91Å; F196-F234 HydrophobicContact CZ-CE1 4.44Å; F196-F234 HydrophobicContact CZ-CG 4.21Å; Y207-F234 AromaticContact CD1-CE1 3.78Å; Y207-F234 HydrophobicContact CD1-CE1 3.78Å; Y207-F234 HydrophobicContact CD1-CZ 4.46Å; Y207-F234 HydrophobicContact CD2-CE1 4.31Å; Y207-F234 AromaticContact CE1-CE1 3.7Å; Y207-F234 HydrophobicContact CE1-CE1 3.7Å; Y207-F234 AromaticContact CE1-CZ 3.93Å; Y207-F234 HydrophobicContact CE1-CZ 3.93Å; Y207-F234 HydrophobicContact CE2-CE1 4.24Å; Y207-F234 HydrophobicContact CE2-CZ 4.27Å; Y207-F234 HydrophobicContact CG-CE1 4.1Å; Y207-F234 AromaticContact CZ-CE1 3.96Å; Y207-F234 AromaticContact CZ-CZ 3.84Å; W220-F234 HydrophobicContact CH2-CD1 4.42Å; P232-F234 PolarHBondContact O-N 3.16Å
235V94.8Very high93.9Very high0 Ų040.8 Ų40.80%023%0.225CC..BIsolated β-bridgetrans-84.8137.6179.6-173.60000110.3V41 L42 W220 L221 F231 P232 Q233 F237 A242V41-V235 HydrophobicContact CG2-CG1 4.34Å; L42-V235 HydrophobicContact CD2-CB 4.18Å; L42-V235 HydrophobicContact CD2-CG1 4.24Å; L42-V235 HydrophobicContact CD2-CG2 3.63Å; W220-V235 HydrophobicContact CH2-CG2 4.41Å; W220-V235 HydrophobicContact CZ3-CG2 3.82Å; L221-V235 HydrophobicContact CD2-CB 4.48Å; L221-V235 HydrophobicContact CD2-CG1 3.72Å; L221-V235 HydrophobicContact CD2-CG2 3.86Å; F231-V235 HydrophobicContact CB-CB 3.7Å; F231-V235 HydrophobicContact CB-CG1 4.15Å; F231-V235 HydrophobicContact CB-CG2 3.63Å; F231-V235 HydrophobicContact CD1-CG2 4.16Å; F231-V235 HydrophobicContact CD2-CB 4.39Å; F231-V235 HydrophobicContact CD2-CG1 3.88Å; F231-V235 HydrophobicContact CE2-CG1 4.42Å; F231-V235 HydrophobicContact CG-CB 4.07Å; F231-V235 HydrophobicContact CG-CG1 3.99Å; F231-V235 HydrophobicContact CG-CG2 3.93Å; P232-V235 HydrophobicContact CG-CG2 4.26Å; P232-V235 PolarHBondContact O-N 2.95Å; Q233-V235 PolarHBondContact O-N 2.94Å; V235-F237 WeakPolarHBondContact O-CD2 3.47Å; V235-F237 PolarHBondContact O-N 2.97Å; V235-A242 HydrophobicContact CG1-CB 4.06Å
236R96.4Very high94Very high0 Ų041.2 Ų41.20%023%0.227CC..  trans-84.6100.8172.2-56.4-179.2-168.9179.3-1.6110.1G37 R38 P40 V41 G43 P44 P99 S103 S238 W239G37-R236 VanDerWaalsContact O-CZ 3.31Å; G37-R236 PolarHBondContact O-NH1 3.47Å; G37-R236 PolarHBondContact O-NH2 2.86Å; R38-R236 PolarHBondContact O-NH1 3.07Å; P40-R236 WeakPolarHBondContact O-CD 3.24Å; P40-R236 PolarHBondContact O-NE 3.01Å; P40-R236 PolarHBondContact O-NH1 3Å; V41-R236 WeakPolarHBondContact O-CB 3.47Å; V41-R236 WeakPolarHBondContact O-CG 3.18Å; V41-R236 PolarHBondContact O-N 3.17Å; G43-R236 VanDerWaalsContact O-CZ 3.25Å; G43-R236 PolarHBondContact O-NE 2.89Å; G43-R236 PolarHBondContact O-NH2 3.42Å; P44-R236 PolarHBondContact O-NH2 3.3Å; P99-R236 HydrophobicContact CB-CG 3.65Å; S103-R236 WeakPolarHBondContact OG-CA 3.44Å; R236-S238 PolarHBondContact O-N 3.15Å; R236-W239 HydrophobicContact CB-CD2 3.88Å; R236-W239 HydrophobicContact CB-CE3 3.26Å; R236-W239 HydrophobicContact CB-CH2 4.49Å; R236-W239 HydrophobicContact CB-CZ3 3.64Å; R236-W239 HydrophobicContact CG-CE3 4.1Å; R236-W239 HydrophobicContact CG-CZ3 4.04Å; R236-W239 PolarHBondContact O-N 3.26Å
237F95.8Very high94Very high49 Ų4945.5 Ų45.522%0.21524%0.244CC..THydrogen-bonded Turntrans-63-23.8-178.3-73-101000113.5S103 L107 F231 V235 W239 Q243 L246S103-F237 PolarHBondContact OG-N 3.48Å; L107-F237 HydrophobicContact CD1-CB 3.67Å; F231-F237 HydrophobicContact CB-CE1 4.07Å; F231-F237 HydrophobicContact CB-CE2 4.22Å; F231-F237 HydrophobicContact CB-CZ 3.67Å; F231-F237 HydrophobicContact CD2-CE1 4.21Å; F231-F237 WeakPolarHBondContact O-CZ 3.4Å; V235-F237 WeakPolarHBondContact O-CD2 3.47Å; V235-F237 PolarHBondContact O-N 2.97Å; F237-W239 PolarHBondContact O-N 3.39Å; F237-Q243 VanDerWaalsContact O-CG 3.25Å; F237-Q243 WeakPolarHBondContact O-CG 3.44Å; F237-L246 HydrophobicContact CD1-CD1 3.72Å; F237-L246 HydrophobicContact CE1-CD1 4.04Å
238S95.1Very high94.1Very high15 Ų1550.5 Ų50.511%0.10526%0.259CS..THydrogen-bonded Turntrans-75.2-4.8178.755.90000114.3M106 R236M106-S238 PolarHBondContact SD-OG 3.19Å; M106-S238 VanDerWaalsContact SD-OG 3.37Å; R236-S238 PolarHBondContact O-N 3.15Å
239W96.1Very high94.1Very high32 Ų3249.4 Ų49.412%0.12125%0.247CC..SBendtrans-81.8134.2176.4-92.7-121000110.2R38 G39 P40 V41 I102 M106 L114 R236 F237 T241 A242 Q243R38-W239 WeakPolarHBondContact O-CZ2 3.37Å; G39-W239 PolarHBondContact O-NE1 3.41Å; P40-W239 WeakPolarHBondContact O-CZ2 3.48Å; P40-W239 PolarHBondContact O-NE1 2.97Å; V41-W239 HydrophobicContact CB-CB 4.33Å; V41-W239 HydrophobicContact CB-CG 4.11Å; V41-W239 HydrophobicContact CG2-CB 3.74Å; V41-W239 HydrophobicContact CG2-CG 4.02Å; I102-W239 HydrophobicContact CG2-CH2 3.86Å; I102-W239 HydrophobicContact CG2-CZ3 3.51Å; M106-W239 HydrophobicContact SD-CZ3 4.19Å; L114-W239 HydrophobicContact CD1-CH2 4.32Å; L114-W239 HydrophobicContact CD2-CH2 4.07Å; L114-W239 HydrophobicContact CD2-CZ2 4.33Å; R236-W239 HydrophobicContact CB-CD2 3.88Å; R236-W239 HydrophobicContact CB-CE3 3.26Å; R236-W239 HydrophobicContact CB-CH2 4.49Å; R236-W239 HydrophobicContact CB-CZ3 3.64Å; R236-W239 HydrophobicContact CG-CE3 4.1Å; R236-W239 HydrophobicContact CG-CZ3 4.04Å; R236-W239 PolarHBondContact O-N 3.26Å; F237-W239 PolarHBondContact O-N 3.39Å; W239-T241 PolarHBondContact O-N 3.03Å; W239-T241 VanDerWaalsContact O-N 3.08Å; W239-A242 WeakPolarHBondContact O-CB 3.41Å; W239-A242 PolarHBondContact O-N 3.12Å; W239-Q243 PolarHBondContact O-N 3.49Å
240S94.2Very high94.2Very high86 Ų8642.8 Ų42.860%0.60122%0.222SC*.Hα-helixtrans-56.2-30.8178.3580000113.6A244S240-A244 VanDerWaalsContact O-CB 3.24Å; S240-A244 WeakPolarHBondContact O-CB 3.24Å; S240-A244 PolarHBondContact O-N 2.56Å
241T94.2Very high94.1Very high36 Ų3649.1 Ų49.122%0.22125%0.251CS..Hα-helixtrans-67.1-38.1175.5-53.30000112.2P212 L221 W239 I245P212-T241 HydrophobicContact CB-CG2 4.29Å; P212-T241 WeakPolarHBondContact CB-OG1 3.35Å; L221-T241 HydrophobicContact CD1-CG2 4.44Å; W239-T241 PolarHBondContact O-N 3.03Å; W239-T241 VanDerWaalsContact O-N 3.08Å; T241-I245 HydrophobicContact CG2-CD1 4.47Å; T241-I245 WeakPolarHBondContact O-CD1 3.49Å; T241-I245 VanDerWaalsContact O-CG1 3.28Å; T241-I245 WeakPolarHBondContact O-CG1 3.35Å; T241-I245 PolarHBondContact O-N 3.06Å
242A95.1Very high94Very high0 Ų052.2 Ų52.20%029%0.287CS..Hα-helixtrans-71.8-46.1176.200000110.6V41 F231 V235 W239 A244 I245 L246V41-A242 HydrophobicContact CG2-CB 4.19Å; F231-A242 HydrophobicContact CD2-CB 4.37Å; F231-A242 HydrophobicContact CE2-CB 3.92Å; V235-A242 HydrophobicContact CG1-CB 4.06Å; W239-A242 WeakPolarHBondContact O-CB 3.41Å; W239-A242 PolarHBondContact O-N 3.12Å; A242-A244 PolarHBondContact O-N 3.08Å; A242-I245 PolarHBondContact O-N 3.34Å; A242-I245 VanDerWaalsContact O-N 3.12Å; A242-L246 WeakPolarHBondContact O-CG 3.49Å; A242-L246 PolarHBondContact O-N 3.35Å
243Q94.3Very high94Very high73 Ų7356.3 Ų56.334%0.34131%0.312SS..Hα-helixtrans-57.1-47.3177.6-65.4-177.9-45.600112.3F237 W239 I245 L246 E247F237-Q243 VanDerWaalsContact O-CG 3.25Å; F237-Q243 WeakPolarHBondContact O-CG 3.44Å; W239-Q243 PolarHBondContact O-N 3.49Å; Q243-I245 PolarHBondContact O-N 3.35Å; Q243-L246 PolarHBondContact O-N 2.86Å; Q243-L246 VanDerWaalsContact O-N 3.15Å; Q243-E247 WeakPolarHBondContact O-CG 3.26Å; Q243-E247 PolarHBondContact O-N 2.66Å
244A94.6Very high94Very high40 Ų4060 Ų6033%0.33134%0.338SS..Hα-helixtrans-65.9-20.1179.900000114.3S240 A242 K248S240-A244 VanDerWaalsContact O-CB 3.24Å; S240-A244 WeakPolarHBondContact O-CB 3.24Å; S240-A244 PolarHBondContact O-N 2.56Å; A242-A244 PolarHBondContact O-N 3.08Å; A244-K248 WeakPolarHBondContact O-CD 3.38Å; A244-K248 WeakPolarHBondContact O-CG 3.41Å
245I94Very high93.9Very high14 Ų1468.7 Ų68.77%0.07237%0.371CS..Hα-helixtrans-82.9-45.1172.9-66.1168000109.4L221 R222 V225 F231 T241 A242 Q243 E247 K248 E249L221-I245 HydrophobicContact CB-CD1 3.81Å; L221-I245 HydrophobicContact CD1-CD1 4.05Å; R222-I245 HydrophobicContact CG-CD1 4.49Å; V225-I245 HydrophobicContact CG2-CG2 3.65Å; F231-I245 HydrophobicContact CE1-CG2 4.47Å; F231-I245 HydrophobicContact CZ-CB 4.01Å; F231-I245 HydrophobicContact CZ-CG2 3.74Å; T241-I245 HydrophobicContact CG2-CD1 4.47Å; T241-I245 WeakPolarHBondContact O-CD1 3.49Å; T241-I245 VanDerWaalsContact O-CG1 3.28Å; T241-I245 WeakPolarHBondContact O-CG1 3.35Å; T241-I245 PolarHBondContact O-N 3.06Å; A242-I245 PolarHBondContact O-N 3.34Å; A242-I245 VanDerWaalsContact O-N 3.12Å; Q243-I245 PolarHBondContact O-N 3.35Å; I245-E247 VanDerWaalsContact C-N 3.32Å; I245-E247 PolarHBondContact O-N 2.76Å; I245-K248 PolarHBondContact O-N 2.84Å; I245-E249 HydrophobicContact CG2-CB 4.42Å; I245-E249 HydrophobicContact CG2-CG 4.35Å; I245-E249 WeakPolarHBondContact O-CB 3.21Å; I245-E249 PolarHBondContact O-N 2.87Å
246L94.5Very high93.7Very high38 Ų3876.7 Ų76.720%0.19941%0.409CS..Hα-helixtrans-57.9-44177.2-68.3170.8000111.9F231 F237 A242 Q243 K248 A250F231-L246 HydrophobicContact CD2-CD1 4.1Å; F231-L246 HydrophobicContact CD2-CD2 3.79Å; F231-L246 HydrophobicContact CD2-CG 3.98Å; F231-L246 HydrophobicContact CE2-CD1 4.09Å; F231-L246 HydrophobicContact CE2-CD2 3.71Å; F231-L246 HydrophobicContact CE2-CG 3.61Å; F231-L246 HydrophobicContact CZ-CD2 4.39Å; F231-L246 HydrophobicContact CZ-CG 4.48Å; F237-L246 HydrophobicContact CD1-CD1 3.72Å; F237-L246 HydrophobicContact CE1-CD1 4.04Å; A242-L246 WeakPolarHBondContact O-CG 3.49Å; A242-L246 PolarHBondContact O-N 3.35Å; Q243-L246 PolarHBondContact O-N 2.86Å; Q243-L246 VanDerWaalsContact O-N 3.15Å; L246-K248 PolarHBondContact O-N 2.99Å; L246-K248 VanDerWaalsContact O-N 3.12Å; L246-A250 HydrophobicContact CD2-CB 4.08Å; L246-A250 WeakPolarHBondContact O-CA 3.48Å; L246-A250 WeakPolarHBondContact O-CB 3.48Å; L246-A250 PolarHBondContact O-N 3.19Å
247E93.3Very high93.2Very high157 Ų15781.3 Ų81.373%0.73443%0.433SS*.Hα-helixtrans-61.2-21.2177.7-72.7169.5-170.300114.1Q243 I245Q243-E247 WeakPolarHBondContact O-CG 3.26Å; Q243-E247 PolarHBondContact O-N 2.66Å; I245-E247 VanDerWaalsContact C-N 3.32Å; I245-E247 PolarHBondContact O-N 2.76Å
248K93.3Very high92Very high174 Ų17481.9 Ų81.976%0.75744%0.443SS*.Hα-helixtrans-104.7-34.4-176-68.5-179.6-175179.40113.6A244 I245 L246A244-K248 WeakPolarHBondContact O-CD 3.38Å; A244-K248 WeakPolarHBondContact O-CG 3.41Å; I245-K248 PolarHBondContact O-N 2.84Å; L246-K248 PolarHBondContact O-N 2.99Å; L246-K248 VanDerWaalsContact O-N 3.12Å
249E93.3Very high90.2Very high82 Ų8285.1 Ų85.138%0.38347%0.471SS..Hα-helixtrans-114.1-18.2-167.7-63.2179.8-155.500112.8R222 V225 I245R222-E249 WeakPolarHBondContact CD-OE1 3.38Å; R222-E249 WeakPolarHBondContact CG-OE1 3.49Å; R222-E249 IonicContact NE-OE1 2.61Å; V225-E249 HydrophobicContact CG1-CB 4.11Å; V225-E249 HydrophobicContact CG2-CB 4.45Å; I245-E249 HydrophobicContact CG2-CB 4.42Å; I245-E249 HydrophobicContact CG2-CG 4.35Å; I245-E249 WeakPolarHBondContact O-CB 3.21Å; I245-E249 PolarHBondContact O-N 2.87Å
250A94.3Very high87.8Confident25 Ų2587.6 Ų87.621%0.20750%0.499CS..SBendtrans-107.4168.6177.500000112.1V225 L246V225-A250 HydrophobicContact CG1-CB 4.16Å; L246-A250 HydrophobicContact CD2-CB 4.08Å; L246-A250 WeakPolarHBondContact O-CA 3.48Å; L246-A250 WeakPolarHBondContact O-CB 3.48Å; L246-A250 PolarHBondContact O-N 3.19Å
251E93.1Very high85.1Confident137 Ų13792.6 Ų92.664%0.6451%0.512SS*.  trans-70.2148.5177.6-66.5-66.5169.900111.9P227 V253P227-E251 HydrophobicContact CB-CG 4.36Å; P227-E251 WeakPolarHBondContact O-CB 3.22Å; P227-E251 WeakPolarHBondContact O-CG 3.5Å; P227-E251 PolarHBondContact O-N 3.39Å; E251-V253 PolarHBondContact O-N 2.87Å
252G90.6Very high82.2Confident80 Ų8099.1 Ų99.183%0.82554%0.541SS*.  trans-69.5120.9179.100000112.1
253V93.1Very high79.1Confident89 Ų89104.2 Ų104.254%0.53957%0.568SS.*  trans-110.4132.9175.8-177.70000109.8E251 W255E251-V253 PolarHBondContact O-N 2.87Å; V253-W255 HydrophobicContact CG1-CD2 4.43Å; V253-W255 HydrophobicContact CG1-CZ2 4Å
254T91.8Very high76.2Confident133 Ų133107.3 Ų107.382%0.81659%0.594SS**  trans-112.8126.2175.248.90000110
255W91.1Very high73.4Confident182 Ų182108.1 Ų108.169%0.68961%0.606SS**  trans-103.2160.5176.9-5587.7000111V253 D257 S258V253-W255 HydrophobicContact CG1-CD2 4.43Å; V253-W255 HydrophobicContact CG1-CZ2 4Å; W255-D257 WeakPolarHBondContact CB-OD1 3.48Å; W255-D257 PolarHBondContact O-N 2.81Å; W255-D257 VanDerWaalsContact O-N 3.14Å; W255-S258 VanDerWaalsContact CB-OG 3.28Å; W255-S258 WeakPolarHBondContact CB-OG 3.49Å; W255-S258 PolarHBondContact N-OG 2.89Å; W255-S258 VanDerWaalsContact O-CB 3.27Å; W255-S258 WeakPolarHBondContact O-CB 3.2Å; W255-S258 PolarHBondContact O-N 2.99Å
256E89.1Confident70.4Confident169 Ų169115.1 Ų115.179%0.7964%0.639SS**THydrogen-bonded Turntrans-55.1-32.8178.5-63.6179164.200113.2R109R109-E256 IonicContact CZ-OE2 2.74Å; R109-E256 IonicContact NH1-OE2 2.77Å; R109-E256 IonicContact NH2-OE2 3.41Å; R109-E256 PolarHBondContact NH2-OE2 3.42Å
257D85.7Confident67.6Low96 Ų96119.1 Ų119.151%0.51367%0.667SS.*THydrogen-bonded Turntrans-103.42.9179.762.1-24.7000113.2W255 A259W255-D257 WeakPolarHBondContact CB-OD1 3.48Å; W255-D257 PolarHBondContact O-N 2.81Å; W255-D257 VanDerWaalsContact O-N 3.14Å; D257-A259 PolarHBondContact O-N 3.12Å
258S70.6Confident64.9Low61 Ų61114.8 Ų114.843%0.42766%0.664SS.*  trans-70.175.8161.6-59.40000107.5W255 A260W255-S258 VanDerWaalsContact CB-OG 3.28Å; W255-S258 WeakPolarHBondContact CB-OG 3.49Å; W255-S258 PolarHBondContact N-OG 2.89Å; W255-S258 VanDerWaalsContact O-CB 3.27Å; W255-S258 WeakPolarHBondContact O-CB 3.2Å; W255-S258 PolarHBondContact O-N 2.99Å; S258-A260 PolarHBondContact O-N 3.22Å; S258-A260 VanDerWaalsContact O-N 3.13Å
259A58.7Low62.2Low83 Ų83116.6 Ų116.669%0.68667%0.666SS**  trans-52.2125.9167.900000106.8D257 E261D257-A259 PolarHBondContact O-N 3.12Å; A259-E261 PolarHBondContact O-N 2.75Å
260A44.2Very low59.8Low85 Ų85118.6 Ų118.670%0.70268%0.678SS**  trans-49.9113.9154.800000105S258 E262S258-A260 PolarHBondContact O-N 3.22Å; S258-A260 VanDerWaalsContact O-N 3.13Å; A260-E262 PolarHBondContact O-N 3.06Å
261E38.8Very low56.9Low190 Ų190122.3 Ų122.389%0.88870%0.698SS**  trans-61.187.2162.1-71-168.2164.300105.2A259 D263A259-E261 PolarHBondContact O-N 2.75Å; E261-D263 PolarHBondContact O-N 2.9Å
262E32.8Very low54.3Low174 Ų174120.5 Ų120.581%0.81370%0.701SS**  trans-6197.6161-77.3-171.9165.800105.2A260 P264A260-E262 PolarHBondContact O-N 3.06Å; E262-P264 VanDerWaalsContact O-CD 3.24Å; E262-P264 WeakPolarHBondContact O-CD 3.45Å; E262-P264 VanDerWaalsContact O-N 3.09Å
263D30.1Very low51.7Low107 Ų107126.3 Ų126.357%0.57270%0.699SS**  trans-46.1113.5168-175.18.1000108.2E261 G265E261-D263 PolarHBondContact O-N 2.9Å; D263-G265 PolarHBondContact O-N 3.47Å
264P32.3Very low49.2Very low138 Ų138130.2 Ų130.290%0.89671%0.709SS**THydrogen-bonded Turntrans-65.72-177.1-17.530000113.6E262E262-P264 VanDerWaalsContact O-CD 3.24Å; E262-P264 WeakPolarHBondContact O-CD 3.45Å; E262-P264 VanDerWaalsContact O-N 3.09Å
265G37Very low46.8Very low56 Ų56131.1 Ų131.158%0.57771%0.709SS**THydrogen-bonded Turntrans-107.6-3.8-169.200000117.3D263 P267D263-G265 PolarHBondContact O-N 3.47Å; G265-P267 VanDerWaalsContact O-CD 3.26Å; G265-P267 WeakPolarHBondContact O-CD 3.46Å
266Q30.3Very low44.1Very low162 Ų162127.8 Ų127.876%0.75771%0.713SS**  trans-98.2107.2176.5-75.5-169.416.900111.8G268Q266-G268 PolarHBondContact O-N 3.2Å
267P36.2Very low41.7Very low121 Ų121129.7 Ų129.779%0.78672%0.722SS**  trans-64.6110.3169.126.5-30.4000107.6G265 R269G265-P267 VanDerWaalsContact O-CD 3.26Å; G265-P267 WeakPolarHBondContact O-CD 3.46Å; P267-R269 PolarHBondContact O-N 3.19Å
268G36.8Very low39.4Very low66 Ų66128 Ų12868%0.6873%0.727SS**  trans-47.8118.7172.800000109.4Q266 I270Q266-G268 PolarHBondContact O-N 3.2Å; G268-I270 PolarHBondContact O-N 2.94Å
269R35.6Very low38.1Very low212 Ų212131.6 Ų131.680%0.875%0.749SS**  trans-57.3107.7177-87.3-179.9167.9175-3.1108.8P267 T271P267-R269 PolarHBondContact O-N 3.19Å; R269-T271 PolarHBondContact O-N 3.48Å
270I42.7Very low37.3Very low125 Ų125136.3 Ų136.364%0.64176%0.757SS**G310 helixtrans-57.3-6.5175.2-65.4171.6000112.5G268 S272 Y273 F274G268-I270 PolarHBondContact O-N 2.94Å; I270-S272 VanDerWaalsContact C-N 3.26Å; I270-S272 PolarHBondContact O-N 3.33Å; I270-Y273 PolarHBondContact O-N 3.35Å; I270-F274 HydrophobicContact CG2-CE2 4.15Å
271T35.3Very low37.1Very low102 Ų102137.1 Ų137.163%0.62676%0.763SS**G310 helixtrans-69.6-13.7-179.7490000114.9R269 Y273R269-T271 PolarHBondContact O-N 3.48Å; T271-Y273 VanDerWaalsContact C-N 3.33Å
272S37.2Very low37.1Very low99 Ų99133.5 Ų133.569%0.69276%0.758SS**G310 helixtrans-78.9-15.2172.554.40000113.6I270I270-S272 VanDerWaalsContact C-N 3.26Å; I270-S272 PolarHBondContact O-N 3.33Å
273Y37.4Very low37.7Very low203 Ų203136.2 Ų136.280%0.79676%0.76SS**SBendtrans-82.8-12.7-179.3-99.1-90.1000114.5I270 T271I270-Y273 PolarHBondContact O-N 3.35Å; T271-Y273 VanDerWaalsContact C-N 3.33Å
274F39.1Very low38.7Very low170 Ų170139 Ų13975%0.74678%0.775SS**SBendtrans-111.45.5-173.9-74-76.3000115.2I270I270-F274 HydrophobicContact CG2-CE2 4.15Å
275L42Very low40Very low153 Ų153140.9 Ų140.980%0.80177%0.771SS**  trans-110.172.2176.1-77165.4000111.5
276S34.5Very low41.4Very low111 Ų111145 Ų14578%0.77678%0.779SS**  trans-172.3103.9142.850.40000111.4
277Q38.9Very low43.6Very low210 Ų210140.6 Ų140.698%0.98176%0.764SS**  trans-132.891.4147.5-74.8-162.87.300108.6
278G36.2Very low46.1Very low60 Ų60141.1 Ų141.162%0.61976%0.756SS**  trans-127.2137.3159.600000107.9Q280G278-Q280 PolarHBondContact O-N 3.39Å
279P45.1Very low48.6Very low137 Ų137146.3 Ų146.389%0.8976%0.755SS**SBendtrans-82.885.3-16932.7-33.1000111.2
280Q41.1Very low51.3Low182 Ų182141.8 Ų141.885%0.8574%0.738SS**  trans-139.582155.2-93-178.1-7.900108.6G278 C282G278-Q280 PolarHBondContact O-N 3.39Å; Q280-C282 PolarHBondContact O-N 2.74Å
281A39.9Very low53.6Low101 Ų101140.1 Ų140.184%0.83573%0.727SS**  trans-71.977.8168.100000109.4R283A281-R283 PolarHBondContact O-N 3.46Å; A281-R283 VanDerWaalsContact O-N 3.15Å
282C38.6Very low56.2Low115 Ų115140.3 Ų140.378%0.77772%0.721SS**  trans-63.6108.3149.2-900000105.6Q280 L284Q280-C282 PolarHBondContact O-N 2.74Å; C282-L284 VanDerWaalsContact C-N 3.34Å; C282-L284 PolarHBondContact O-N 3.03Å
283R45.2Very low58.8Low230 Ų230140.9 Ų140.987%0.86871%0.712SS**  trans-54.7102.8168.8-70.7176.8177.6174.4-1.6106.5A281 Q285A281-R283 PolarHBondContact O-N 3.46Å; A281-R283 VanDerWaalsContact O-N 3.15Å; R283-Q285 PolarHBondContact O-N 3.45Å
284L51.2Low61.4Low167 Ų167137.4 Ų137.487%0.87470%0.698SS**  trans-58.596.2162-81.5158.7000105C282 I286C282-L284 VanDerWaalsContact C-N 3.34Å; C282-L284 PolarHBondContact O-N 3.03Å; L284-I286 PolarHBondContact O-N 3.48Å
285Q59.9Low63.9Low177 Ų177132.4 Ų132.483%0.82769%0.694SS**  trans-62.8107.1173.1-81.4-173-1800105.4R283 P287R283-Q285 PolarHBondContact O-N 3.45Å; Q285-P287 VanDerWaalsContact O-CD 3.3Å; Q285-P287 WeakPolarHBondContact O-CD 3.14Å
286I66.9Low66.3Low143 Ų143129.1 Ų129.173%0.73368%0.677SS**PPolyproline II helixtrans-55.1117.1168.3-62171.2000105.1L284 H288 Q292L284-I286 PolarHBondContact O-N 3.48Å; I286-H288 PolarHBondContact O-N 3.27Å; I286-Q292 VanDerWaalsContact CG2-NE2 3.25Å
287P76.4Confident69Low68 Ų68132.6 Ų132.644%0.44268%0.681SS.*PPolyproline II helixtrans-58.6144.5-174.318.5-27.8000109.1Q285 R289 F291 Q292Q285-P287 VanDerWaalsContact O-CD 3.3Å; Q285-P287 WeakPolarHBondContact O-CD 3.14Å; P287-R289 PolarHBondContact O-N 3.24Å; P287-F291 HydrophobicContact CB-CB 4.37Å; P287-Q292 HydrophobicContact CB-CG 4.33Å; P287-Q292 HydrophobicContact CG-CG 3.8Å; P287-Q292 PolarHBondContact O-NE2 3.25Å
288H87.6Confident71.3Confident132 Ų132126.6 Ų126.661%0.61167%0.668SS**PPolyproline II helixtrans-54.7144.5179.6-174.3-93.4000110.1I286 Y290 F291 Q292I286-H288 PolarHBondContact O-N 3.27Å; H288-Y290 VanDerWaalsContact ND1-CB 3.32Å; H288-Y290 WeakPolarHBondContact ND1-CB 3.1Å; H288-Y290 PolarHBondContact ND1-N 3.32Å; H288-Y290 PolarHBondContact O-N 3.27Å; H288-F291 HydrophobicContact CB-CD2 3.79Å; H288-F291 HydrophobicContact CB-CE2 4.02Å; H288-F291 PolarHBondContact O-N 2.86Å; H288-Q292 PolarHBondContact O-N 2.78Å
289R90Very high73.9Confident176 Ų176127.9 Ų127.966%0.66467%0.672SS**Hα-helixtrans-47.2-38-177.4-177.5176.7172.1-175.7-3.9113.1P287 F291 Q292 E293P287-R289 PolarHBondContact O-N 3.24Å; R289-F291 VanDerWaalsContact C-N 3.28Å; R289-F291 PolarHBondContact O-N 2.81Å; R289-Q292 PolarHBondContact O-N 2.79Å; R289-E293 HydrophobicContact CG-CG 4.18Å; R289-E293 IonicContact CZ-OE1 3.22Å; R289-E293 VanDerWaalsContact CZ-OE1 3.22Å; R289-E293 IonicContact NE-OE1 2.64Å; R289-E293 PolarHBondContact NE-OE1 3.24Å; R289-E293 IonicContact NH2-OE1 2.89Å; R289-E293 PolarHBondContact NH2-OE1 3.02Å; R289-E293 WeakPolarHBondContact O-CG 3.43Å; R289-E293 PolarHBondContact O-N 3.08Å
290Y91.3Very high75.9Confident116 Ų116129.1 Ų129.146%0.45567%0.671SS.*Hα-helixtrans-49.4-43.6174176.3-94.2000113.8H288 R294 L296H288-Y290 VanDerWaalsContact ND1-CB 3.32Å; H288-Y290 WeakPolarHBondContact ND1-CB 3.1Å; H288-Y290 PolarHBondContact ND1-N 3.32Å; H288-Y290 PolarHBondContact O-N 3.27Å; Y290-R294 VanDerWaalsContact CE2-CZ 3.43Å; Y290-R294 WeakPolarHBondContact O-CD 3.37Å; Y290-R294 WeakPolarHBondContact O-CG 3.46Å; Y290-R294 PolarHBondContact O-NH1 3.08Å; Y290-L296 HydrophobicContact CE1-CD1 4.27Å
291F91.6Very high78Confident91 Ų91125.3 Ų125.340%0.39967%0.665SS.*Hα-helixtrans-78.9-40.2-177.4-61.1-74.9000112P287 H288 R289 R294 G295 L296P287-F291 HydrophobicContact CB-CB 4.37Å; H288-F291 HydrophobicContact CB-CD2 3.79Å; H288-F291 HydrophobicContact CB-CE2 4.02Å; H288-F291 PolarHBondContact O-N 2.86Å; R289-F291 VanDerWaalsContact C-N 3.28Å; R289-F291 PolarHBondContact O-N 2.81Å; F291-R294 CarbonylContact O-C 3.6Å; F291-R294 PolarHBondContact O-N 2.95Å; F291-R294 VanDerWaalsContact O-N 3.16Å; F291-G295 PolarHBondContact O-N 2.87Å; F291-G295 VanDerWaalsContact O-N 3.11Å; F291-L296 HydrophobicContact CB-CB 4.16Å; F291-L296 HydrophobicContact CD1-CB 3.91Å; F291-L296 HydrophobicContact CD1-CD1 4.04Å; F291-L296 PolarHBondContact O-N 2.59Å
292Q89.2Confident79.5Confident106 Ų106132.1 Ų132.150%0.49569%0.686SS.*Hα-helixtrans-60.8-46.9177.7-64.1-178.315.100111.9I286 P287 H288 R289 R294 G295I286-Q292 VanDerWaalsContact CG2-NE2 3.25Å; P287-Q292 HydrophobicContact CB-CG 4.33Å; P287-Q292 HydrophobicContact CG-CG 3.8Å; P287-Q292 PolarHBondContact O-NE2 3.25Å; H288-Q292 PolarHBondContact O-N 2.78Å; R289-Q292 PolarHBondContact O-N 2.79Å; Q292-R294 PolarHBondContact O-N 3.28Å; Q292-G295 PolarHBondContact O-N 2.61Å
293E92.5Very high81.5Confident111 Ų111133 Ų13352%0.51968%0.681SS.*THydrogen-bonded Turntrans-63.7-15179.3-71.4178.8165.600113.6R289R289-E293 HydrophobicContact CG-CG 4.18Å; R289-E293 IonicContact CZ-OE1 3.22Å; R289-E293 VanDerWaalsContact CZ-OE1 3.22Å; R289-E293 IonicContact NE-OE1 2.64Å; R289-E293 PolarHBondContact NE-OE1 3.24Å; R289-E293 IonicContact NH2-OE1 2.89Å; R289-E293 PolarHBondContact NH2-OE1 3.02Å; R289-E293 WeakPolarHBondContact O-CG 3.43Å; R289-E293 PolarHBondContact O-N 3.08Å
294R93.1Very high83.4Confident129 Ų129127.9 Ų127.949%0.48767%0.672SS.*THydrogen-bonded Turntrans-113.82.1-176.3-69.5169.1-179.763.87.9113.1Y290 F291 Q292 L296Y290-R294 VanDerWaalsContact CE2-CZ 3.43Å; Y290-R294 WeakPolarHBondContact O-CD 3.37Å; Y290-R294 WeakPolarHBondContact O-CG 3.46Å; Y290-R294 PolarHBondContact O-NH1 3.08Å; F291-R294 CarbonylContact O-C 3.6Å; F291-R294 PolarHBondContact O-N 2.95Å; F291-R294 VanDerWaalsContact O-N 3.16Å; Q292-R294 PolarHBondContact O-N 3.28Å; R294-L296 HydrophobicContact CB-CD1 3.82Å; R294-L296 HydrophobicContact CB-CG 3.78Å; R294-L296 PolarHBondContact O-N 3.23Å
295G91.6Very high85.2Confident66 Ų66125.7 Ų125.768%0.6866%0.66SS**THydrogen-bonded Turntrans60.133.4-175.400000113.3F291 Q292F291-G295 PolarHBondContact O-N 2.87Å; F291-G295 VanDerWaalsContact O-N 3.11Å; Q292-G295 PolarHBondContact O-N 2.61Å
296L91.9Very high86.7Confident83 Ų83122.7 Ų122.744%0.43565%0.65SS.*  trans-95.3122.5-177.9-64.6173.4000110.6Y290 F291 R294Y290-L296 HydrophobicContact CE1-CD1 4.27Å; F291-L296 HydrophobicContact CB-CB 4.16Å; F291-L296 HydrophobicContact CD1-CB 3.91Å; F291-L296 HydrophobicContact CD1-CD1 4.04Å; F291-L296 PolarHBondContact O-N 2.59Å; R294-L296 HydrophobicContact CB-CD1 3.82Å; R294-L296 HydrophobicContact CB-CG 3.78Å; R294-L296 PolarHBondContact O-N 3.23Å
297E89.9Confident87.9Confident185 Ų185121.4 Ų121.486%0.86465%0.645SS**  trans-129155.5177.5-63.2-172.1176.800111.2
298A88.7Confident88.7Confident84 Ų84125 Ų12569%0.69466%0.659SS**  trans-75.2126.717500000109.9N300A298-N300 PolarHBondContact O-N 2.98Å
299A90.4Very high88.8Confident86 Ų86124.5 Ų124.571%0.71166%0.662SS**  trans-71112.5176.500000110.3
300N87.9Confident88.7Confident164 Ų164120.5 Ų120.588%0.87766%0.662SS**SBendtrans-89.3-8.3174.3-64.8-34.1000112.6A298A298-N300 PolarHBondContact O-N 2.98Å
301S84.4Confident88.4Confident102 Ų102120.9 Ų120.971%0.71368%0.679SS**  trans-153.9154174.454.40000109.3
302L70.3Confident88.2Confident244 Ų244123.6 Ų123.6100%1.27771%0.705SS**  trans-91.50172.7-73.5166.6000110.7

Retrieved 302 of 302 residues in 90.4 ms (Link to these results)

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