A0A087X9S1_POEFO Loading...

Sorting nexin 10a

AlphaFold DB , UniProt , Accession A0A087X9S1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 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
1F75.8Confident94.4Very high260 Ų26089.6 Ų89.6100%1.1443%0.434SS*.  0130.90-67.6-82.2000108.2
2Q90.1Very high94.5Very high176 Ų17685.6 Ų85.682%0.82242%0.42SS*.  trans-79137.6177.2-171.517012.900109.6N33Q2-N33 PolarHBondContact O-ND2 2.95Å
3E94.3Very high94.5Very high117 Ų11786.1 Ų86.155%0.54741%0.414SS..  trans-70.1140.8172.9-168179.2-128.100110N33 S34 M35E3-N33 VanDerWaalsContact CA-OD1 3.29Å; E3-N33 WeakPolarHBondContact CA-OD1 3.39Å; E3-S34 VanDerWaalsContact CD-OG 3.27Å; E3-S34 WeakPolarHBondContact OE1-CA 3.46Å; E3-S34 WeakPolarHBondContact OE1-CB 3.2Å; E3-S34 PolarHBondContact OE1-OG 3.36Å; E3-M35 PolarHBondContact OE1-N 3.4Å
4F95.5Very high94.3Very high84 Ų8486.1 Ų86.137%0.36842%0.417SS..  trans-142.8149.2176.776-91.9000111.6H31 T32 N33F4-H31 AromaticContact CE2-CD2 3.49Å; F4-H31 VanDerWaalsContact CE2-CD2 3.49Å; F4-H31 WeakPolarHBondContact CE2-CD2 3.48Å; F4-H31 AromaticContact CE2-NE2 3.93Å; F4-H31 WeakPolarHBondContact CE2-O 3.42Å; F4-H31 AromaticContact CZ-CD2 3.65Å; F4-H31 AromaticContact CZ-NE2 3.57Å; F4-T32 WeakPolarHBondContact O-CA 3.23Å; F4-T32 WeakPolarHBondContact O-CB 3.39Å; F4-T32 PolarHBondContact O-OG1 3.31Å; F4-N33 HydrophobicContact CD1-CB 4.15Å; F4-N33 VanDerWaalsContact CD1-CG 3.4Å; F4-N33 WeakPolarHBondContact CD1-ND2 3.47Å; F4-N33 WeakPolarHBondContact CD1-OD1 3.49Å; F4-N33 HydrophobicContact CE1-CB 3.75Å; F4-N33 HydrophobicContact CZ-CB 4.37Å; F4-N33 PolarHBondContact N-OD1 3.23Å; F4-N33 PolarHBondContact O-N 2.73Å; F4-N33 PolarHBondContact O-OD1 3.17Å
5V97.4Very high93.8Very high50 Ų5084.4 Ų84.430%0.30341%0.408SS..EExtended strand (participates in β ladder)trans-131.7115.9169.1-172.60000106.4L30 T32 F37 F100V5-L30 HydrophobicContact CG1-CD1 3.8Å; V5-T32 WeakPolarHBondContact CG2-OG1 3.34Å; V5-F37 HydrophobicContact CB-CE2 4.4Å; V5-F37 HydrophobicContact CG1-CD2 4.45Å; V5-F37 HydrophobicContact CG1-CE2 3.67Å; V5-F37 HydrophobicContact CG1-CZ 3.94Å; V5-F37 HydrophobicContact CG2-CD2 4.33Å; V5-F37 HydrophobicContact CG2-CE2 3.75Å; V5-F100 HydrophobicContact CB-CD2 4.31Å; V5-F100 HydrophobicContact CG1-CB 4.49Å; V5-F100 HydrophobicContact CG1-CD2 3.5Å; V5-F100 VanDerWaalsContact CG1-CD2 3.5Å; V5-F100 HydrophobicContact CG1-CE2 3.81Å; V5-F100 HydrophobicContact CG1-CG 4.02Å
6S97.4Very high93.2Very high65 Ų6589.3 Ų89.346%0.45543%0.426SS..EExtended strand (participates in β ladder)trans-116.9136177.9176.50000108.9H31S6-H31 PolarHBondContact N-O 3.37Å; S6-H31 PolarHBondContact O-N 2.96Å; S6-H31 VanDerWaalsContact O-O 3.12Å
7V98.1Very high91.9Very high6 Ų689.7 Ų89.74%0.03643%0.432CS..EExtended strand (participates in β ladder)trans-131.6146.8176.361.40000109.3I28 C29 L30 E93 L96 E97 F100V7-I28 HydrophobicContact CG2-CG2 3.65Å; V7-C29 CarbonylContact C-O 3.52Å; V7-C29 VanDerWaalsContact CA-O 3.28Å; V7-C29 WeakPolarHBondContact CA-O 3.32Å; V7-L30 HydrophobicContact CB-CD1 4.45Å; V7-E93 HydrophobicContact CG1-CG 4.43Å; V7-L96 HydrophobicContact CG1-CB 4.01Å; V7-L96 HydrophobicContact CG2-CB 4.47Å; V7-L96 HydrophobicContact CG2-CD1 3.77Å; V7-E97 HydrophobicContact CG1-CG 3.81Å; V7-F100 HydrophobicContact CB-CE2 3.88Å; V7-F100 HydrophobicContact CG1-CD2 4.43Å; V7-F100 HydrophobicContact CG1-CE2 3.75Å
8C98.2Very high90.8Very high41 Ų4191.2 Ų91.228%0.27744%0.443SS..EExtended strand (participates in β ladder)trans-134.2144.7165.566.30000111.6I28 C29 E93C8-I28 WeakPolarHBondContact O-CA 3.49Å; C8-C29 PolarHBondContact N-O 3.17Å; C8-C29 PolarHBondContact O-N 3.43Å; C8-C29 WeakPolarHBondContact SG-CB 3.35Å; C8-C29 VanDerWaalsContact SG-SG 3.66Å; C8-E93 WeakPolarHBondContact CA-OE2 3.41Å
9V98.3Very high89.1Confident8 Ų899.1 Ų99.15%0.04847%0.467CS..EExtended strand (participates in β ladder)trans-114.2118.5175.9-177.60000109.1Y26 E27 M89 L92 E93 L96V9-Y26 HydrophobicContact CG1-CD1 4.36Å; V9-Y26 HydrophobicContact CG1-CG 4.08Å; V9-E27 WeakPolarHBondContact CA-O 3.24Å; V9-M89 HydrophobicContact CG1-CB 4.31Å; V9-M89 HydrophobicContact CG1-CG 4.3Å; V9-L92 HydrophobicContact CG1-CB 4.17Å; V9-L92 HydrophobicContact CG1-CD1 4.3Å; V9-L92 HydrophobicContact CG2-CB 4.19Å; V9-E93 HydrophobicContact CB-CB 4.32Å; V9-E93 HydrophobicContact CG2-CB 4.02Å; V9-E93 PolarHBondContact N-OE2 3.47Å; V9-L96 HydrophobicContact CG2-CD1 4.38Å
10R97.4Very high88Confident116 Ų116105.6 Ų105.644%0.43849%0.487SS..EExtended strand (participates in β ladder)trans-148.7-176.2-169.568.8-175.7-166.5-169.9-0.6113E27 C29R10-E27 HydrophobicContact CG-CB 4.16Å; R10-E27 IonicContact CZ-OE2 2.84Å; R10-E27 VanDerWaalsContact CZ-OE2 3.25Å; R10-E27 PolarHBondContact N-O 3.19Å; R10-E27 IonicContact NE-OE2 2.68Å; R10-E27 PolarHBondContact NE-OE2 3.26Å; R10-E27 IonicContact NH2-OE2 2.75Å; R10-E27 PolarHBondContact NH2-OE2 2.84Å; R10-E27 PolarHBondContact O-N 3.19Å; R10-C29 PolarHBondContact NE-SG 2.73Å; R10-C29 PolarHBondContact NH2-SG 2.92Å
11D96.3Very high87.3Confident63 Ų63106.3 Ų106.334%0.33749%0.49SS..EExtended strand (participates in β ladder)trans46.866170.2-176.842000113.7R13 E27 R45D11-R13 PolarHBondContact O-N 3.19Å; D11-R13 IonicContact OD1-NE 3.41Å; D11-R13 IonicContact OD2-CZ 3.8Å; D11-R13 IonicContact OD2-NE 3.24Å; D11-R13 PolarHBondContact OD2-NE 2.99Å; D11-R13 IonicContact OD2-NH2 3.77Å; D11-R13 PolarHBondContact OD2-NH2 3.02Å; D11-E27 HydrophobicContact CB-CB 4.22Å; D11-R45 PolarHBondContact O-NH2 2.96Å; D11-R45 IonicContact OD2-CZ 2.75Å; D11-R45 IonicContact OD2-NH1 3.66Å; D11-R45 PolarHBondContact OD2-NH1 2.88Å
12P95.9Very high87.6Confident41 Ų4198 Ų9827%0.26646%0.461SS..EExtended strand (participates in β ladder)trans-69.4125.9-178.629.9-33.4000110.3D25 Y26 L79 V85 M89P12-D25 VanDerWaalsContact CA-O 3.31Å; P12-D25 WeakPolarHBondContact CA-O 3.44Å; P12-Y26 HydrophobicContact CB-CD1 3.81Å; P12-Y26 HydrophobicContact CB-CE1 3.7Å; P12-L79 HydrophobicContact CB-CD2 3.86Å; P12-L79 HydrophobicContact CG-CD2 4.39Å; P12-V85 HydrophobicContact CB-CG1 4.06Å; P12-V85 HydrophobicContact CG-CG1 3.58Å; P12-M89 HydrophobicContact CB-SD 4.42Å; P12-M89 HydrophobicContact CG-SD 4.08Å
13R94Very high87.5Confident92 Ų9292.5 Ų92.535%0.34744%0.436SS..EExtended strand (participates in β ladder)trans-121.2144.2179.6-63.6178.8-167.3175.92.5111.5D11 I24 D25 R45 Y147D11-R13 PolarHBondContact O-N 3.19Å; D11-R13 IonicContact OD1-NE 3.41Å; D11-R13 IonicContact OD2-CZ 3.8Å; D11-R13 IonicContact OD2-NE 3.24Å; D11-R13 PolarHBondContact OD2-NE 2.99Å; D11-R13 IonicContact OD2-NH2 3.77Å; D11-R13 PolarHBondContact OD2-NH2 3.02Å; R13-I24 VanDerWaalsContact O-CA 3.28Å; R13-I24 WeakPolarHBondContact O-CA 3.46Å; R13-D25 WeakPolarHBondContact CB-OD1 3.47Å; R13-D25 PolarHBondContact N-O 3.5Å; R13-D25 PolarHBondContact O-N 3.04Å; R13-D25 VanDerWaalsContact O-N 3.1Å; R13-R45 VanDerWaalsContact CD-CZ 3.42Å; R13-Y147 PolarHBondContact NH2-OH 2.68Å
14L91.7Very high87.4Confident86 Ų8688.4 Ų88.445%0.4542%0.417SS..EExtended strand (participates in β ladder)trans-90.7116.6170.9-176.269.1000108.6I24 L79L14-I24 HydrophobicContact CD1-CD1 4.4Å; L14-I24 HydrophobicContact CD1-CG1 3.76Å; L14-L79 HydrophobicContact CB-CD1 3.71Å
15H87.5Confident87.4Confident61 Ų6185 Ų8528%0.28240%0.402SS..EExtended strand (participates in β ladder)trans-95.4140.4171.5-72.3-93.8000109.5T22 H23 D25H15-T22 WeakPolarHBondContact O-CA 3.29Å; H15-H23 WeakPolarHBondContact CB-CE1 3.45Å; H15-H23 AromaticContact CG-NE2 3.84Å; H15-H23 PolarHBondContact N-O 3.35Å; H15-H23 PolarHBondContact O-N 2.95Å; H15-H23 VanDerWaalsContact O-N 3.07Å; H15-D25 IonicContact CD2-OD1 2.98Å; H15-D25 PolarHBondContact CD2-OD1 3.1Å; H15-D25 VanDerWaalsContact CD2-OD1 3.24Å; H15-D25 IonicContact CD2-OD2 3.37Å; H15-D25 PolarHBondContact CD2-OD2 2.87Å; H15-D25 IonicContact CE1-OD2 3.84Å; H15-D25 VanDerWaalsContact NE2-CG 3.29Å; H15-D25 IonicContact NE2-OD1 3.64Å; H15-D25 PolarHBondContact NE2-OD1 3.28Å; H15-D25 VanDerWaalsContact NE2-OD1 3.15Å; H15-D25 IonicContact NE2-OD2 2.8Å; H15-D25 PolarHBondContact NE2-OD2 2.91Å
16K83.1Confident87.4Confident162 Ų16282.6 Ų82.670%0.70439%0.388SS*.EExtended strand (participates in β ladder)trans-119.998.8173.9-60.3-174179.11790106.1T22K16-T22 HydrophobicContact CB-CG2 4.49Å; K16-T22 HydrophobicContact CG-CG2 3.96Å
17D71.8Confident87.4Confident97 Ų9780.4 Ų80.452%0.51937%0.371SS..SBendtrans-77.7-45.2-177.5-57.4-39000109.7H21 H23D17-H21 HydrophobicContact CB-CB 4.39Å; D17-H21 PolarHBondContact N-O 3.37Å; D17-H23 IonicContact OD1-CE1 3.73Å; D17-H23 PolarHBondContact OD1-CE1 2.96Å; D17-H23 IonicContact OD1-ND1 2.74Å; D17-H23 IonicContact OD2-CE1 3.05Å; D17-H23 PolarHBondContact OD2-CE1 3.38Å; D17-H23 IonicContact OD2-ND1 2.67Å; D17-H23 PolarHBondContact OD2-ND1 2.8Å
18D71.1Confident87.4Confident117 Ų11780.2 Ų80.263%0.62637%0.369SS*.SBendtrans-142.5177.6176.2-80.5-45.4000110.8W20 H21D18-W20 PolarHBondContact O-N 3.09Å; D18-H21 PolarHBondContact O-N 3.27Å
19R59.9Low87.4Confident240 Ų24078.8 Ų78.891%0.90636%0.36SS*.SBendtrans-54.3-17.4-178.2-61.6-177.5-152.9-148.63114.8
20W66.6Low87.4Confident229 Ų22978.5 Ų78.587%0.86736%0.358SS*.SBendtrans-128.3-11.5-175.2-55.2105000114.5D18D18-W20 PolarHBondContact O-N 3.09Å
21H72.3Confident87.4Confident121 Ų12177.6 Ų77.656%0.5636%0.358SS*.  trans-107.8101.4-177.4-65.2102.8000109.4D17 D18D17-H21 HydrophobicContact CB-CB 4.39Å; D17-H21 PolarHBondContact N-O 3.37Å; D18-H21 PolarHBondContact O-N 3.27Å
22T83.1Confident87.5Confident86 Ų8674.7 Ų74.753%0.52834%0.343SS..EExtended strand (participates in β ladder)trans-115.5129.8171.463.90000109.4H15 K16H15-T22 WeakPolarHBondContact O-CA 3.29Å; K16-T22 HydrophobicContact CB-CG2 4.49Å; K16-T22 HydrophobicContact CG-CG2 3.96Å
23H87.3Confident87.5Confident61 Ų6175.2 Ų75.228%0.28234%0.343SS..EExtended strand (participates in β ladder)trans-129.9160.4175.172.6-93.2000110.2H15 D17H15-H23 WeakPolarHBondContact CB-CE1 3.45Å; H15-H23 AromaticContact CG-NE2 3.84Å; H15-H23 PolarHBondContact N-O 3.35Å; H15-H23 PolarHBondContact O-N 2.95Å; H15-H23 VanDerWaalsContact O-N 3.07Å; D17-H23 IonicContact OD1-CE1 3.73Å; D17-H23 PolarHBondContact OD1-CE1 2.96Å; D17-H23 IonicContact OD1-ND1 2.74Å; D17-H23 IonicContact OD2-CE1 3.05Å; D17-H23 PolarHBondContact OD2-CE1 3.38Å; D17-H23 IonicContact OD2-ND1 2.67Å; D17-H23 PolarHBondContact OD2-ND1 2.8Å
24I92.3Very high87.6Confident31 Ų3170.9 Ų70.916%0.15933%0.327CS..EExtended strand (participates in β ladder)trans-113.6128.9177.2-66.6160.7000107.8R13 L14 Y26 S47 F77 L79R13-I24 VanDerWaalsContact O-CA 3.28Å; R13-I24 WeakPolarHBondContact O-CA 3.46Å; L14-I24 HydrophobicContact CD1-CD1 4.4Å; L14-I24 HydrophobicContact CD1-CG1 3.76Å; I24-Y26 HydrophobicContact CG2-CE1 4.32Å; I24-Y26 HydrophobicContact CG2-CE2 4.21Å; I24-S47 WeakPolarHBondContact O-CA 3.18Å; I24-S47 WeakPolarHBondContact O-CB 3.42Å; I24-F77 HydrophobicContact CD1-CD1 3.61Å; I24-F77 HydrophobicContact CD1-CE1 3.7Å; I24-F77 HydrophobicContact CG2-CE1 4.43Å; I24-L79 HydrophobicContact CD1-CD1 4.32Å; I24-L79 HydrophobicContact CD1-CD2 3.84Å; I24-L79 HydrophobicContact CD1-CG 3.65Å; I24-L79 HydrophobicContact CG1-CD1 4.21Å; I24-L79 HydrophobicContact CG1-CD2 4.17Å; I24-L79 HydrophobicContact CG1-CG 4.05Å; I24-L79 HydrophobicContact CG2-CD2 3.75Å
25D95.4Very high87.8Confident11 Ų1174.4 Ų74.46%0.05934%0.343CS..EExtended strand (participates in β ladder)trans-116.4168.5173.576.1-4.3000111.2P12 R13 H15 R45 R46P12-D25 VanDerWaalsContact CA-O 3.31Å; P12-D25 WeakPolarHBondContact CA-O 3.44Å; R13-D25 WeakPolarHBondContact CB-OD1 3.47Å; R13-D25 PolarHBondContact N-O 3.5Å; R13-D25 PolarHBondContact O-N 3.04Å; R13-D25 VanDerWaalsContact O-N 3.1Å; H15-D25 IonicContact CD2-OD1 2.98Å; H15-D25 PolarHBondContact CD2-OD1 3.1Å; H15-D25 VanDerWaalsContact CD2-OD1 3.24Å; H15-D25 IonicContact CD2-OD2 3.37Å; H15-D25 PolarHBondContact CD2-OD2 2.87Å; H15-D25 IonicContact CE1-OD2 3.84Å; H15-D25 VanDerWaalsContact NE2-CG 3.29Å; H15-D25 IonicContact NE2-OD1 3.64Å; H15-D25 PolarHBondContact NE2-OD1 3.28Å; H15-D25 VanDerWaalsContact NE2-OD1 3.15Å; H15-D25 IonicContact NE2-OD2 2.8Å; H15-D25 PolarHBondContact NE2-OD2 2.91Å; D25-R45 VanDerWaalsContact CG-NE 3.33Å; D25-R45 IonicContact OD1-CZ 2.72Å; D25-R45 IonicContact OD1-NE 3.15Å; D25-R45 PolarHBondContact OD1-NE 2.98Å; D25-R45 IonicContact OD1-NH2 3.33Å; D25-R45 PolarHBondContact OD1-NH2 3.3Å; D25-R45 VanDerWaalsContact OD2-CB 3.28Å; D25-R45 WeakPolarHBondContact OD2-CB 3.32Å; D25-R45 IonicContact OD2-CZ 2.67Å; D25-R45 IonicContact OD2-NE 3.04Å; D25-R45 PolarHBondContact OD2-NE 2.73Å; D25-R45 IonicContact OD2-NH2 3.16Å; D25-R46 WeakPolarHBondContact CA-O 3.39Å
26Y97.3Very high88.2Confident0 Ų074.5 Ų74.50%035%0.35CS..EExtended strand (participates in β ladder)trans-132.5142.4-179.2-54.1-87.6000108.7V9 P12 I24 R45 R46 F77 R88 M89 L92V9-Y26 HydrophobicContact CG1-CD1 4.36Å; V9-Y26 HydrophobicContact CG1-CG 4.08Å; P12-Y26 HydrophobicContact CB-CD1 3.81Å; P12-Y26 HydrophobicContact CB-CE1 3.7Å; I24-Y26 HydrophobicContact CG2-CE1 4.32Å; I24-Y26 HydrophobicContact CG2-CE2 4.21Å; Y26-R45 VanDerWaalsContact O-CA 3.29Å; Y26-R45 WeakPolarHBondContact O-CA 3.44Å; Y26-R46 PolarHBondContact N-O 3.16Å; Y26-R46 PolarHBondContact O-N 3.46Å; Y26-F77 WeakPolarHBondContact OH-CE1 3.16Å; Y26-F77 WeakPolarHBondContact OH-CZ 3.35Å; Y26-R88 WeakPolarHBondContact OH-CD 3.5Å; Y26-M89 HydrophobicContact CD1-CG 3.55Å; Y26-M89 HydrophobicContact CD1-SD 4.09Å; Y26-M89 HydrophobicContact CE1-CG 3.68Å; Y26-M89 HydrophobicContact CE1-SD 4.4Å; Y26-L92 HydrophobicContact CD2-CD1 3.7Å; Y26-L92 HydrophobicContact CE2-CD1 3.86Å; Y26-L92 HydrophobicContact CG-CD1 4.18Å
27E97.9Very high88.9Confident20 Ų2067 Ų679%0.09332%0.318CS..EExtended strand (participates in β ladder)trans-76.7122.1168.3-169.6175.5-107.500109.2V9 R10 D11 V44V9-E27 WeakPolarHBondContact CA-O 3.24Å; R10-E27 HydrophobicContact CG-CB 4.16Å; R10-E27 IonicContact CZ-OE2 2.84Å; R10-E27 VanDerWaalsContact CZ-OE2 3.25Å; R10-E27 PolarHBondContact N-O 3.19Å; R10-E27 IonicContact NE-OE2 2.68Å; R10-E27 PolarHBondContact NE-OE2 3.26Å; R10-E27 IonicContact NH2-OE2 2.75Å; R10-E27 PolarHBondContact NH2-OE2 2.84Å; R10-E27 PolarHBondContact O-N 3.19Å; D11-E27 HydrophobicContact CB-CB 4.22Å; E27-V44 WeakPolarHBondContact CA-O 3.33Å
28I98.4Very high90Very high1 Ų169.4 Ų69.41%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-98.4121.4169-52.6174.6000107V7 C8 Y43 V44 R46 F51 L96 F114 L115V7-I28 HydrophobicContact CG2-CG2 3.65Å; C8-I28 WeakPolarHBondContact O-CA 3.49Å; I28-Y43 WeakPolarHBondContact O-CA 3.38Å; I28-V44 HydrophobicContact CB-CG2 3.91Å; I28-V44 HydrophobicContact CD1-CG2 4.23Å; I28-V44 HydrophobicContact CG1-CG2 4.45Å; I28-V44 PolarHBondContact N-O 3.38Å; I28-V44 PolarHBondContact O-N 3.2Å; I28-R46 HydrophobicContact CD1-CB 3.88Å; I28-R46 HydrophobicContact CD1-CG 3.67Å; I28-F51 HydrophobicContact CD1-CE1 4.4Å; I28-F51 HydrophobicContact CD1-CE2 3.87Å; I28-F51 HydrophobicContact CD1-CZ 3.46Å; I28-F51 VanDerWaalsContact CD1-CZ 3.46Å; I28-F51 HydrophobicContact CG1-CE2 4.46Å; I28-F51 HydrophobicContact CG1-CZ 4.07Å; I28-L96 HydrophobicContact CD1-CD1 4.31Å; I28-L96 HydrophobicContact CG2-CD1 3.95Å; I28-F114 HydrophobicContact CD1-CD1 4.36Å; I28-F114 HydrophobicContact CD1-CE1 3.54Å; I28-F114 HydrophobicContact CD1-CZ 4.17Å; I28-L115 HydrophobicContact CD1-CD2 4.44Å; I28-L115 HydrophobicContact CG2-CD2 4.05Å
29C98.1Very high91.2Very high11 Ų1165.3 Ų65.37%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-110.4118.2171.9-380000109.1V7 C8 R10 S42 Y43V7-C29 CarbonylContact C-O 3.52Å; V7-C29 VanDerWaalsContact CA-O 3.28Å; V7-C29 WeakPolarHBondContact CA-O 3.32Å; C8-C29 PolarHBondContact N-O 3.17Å; C8-C29 PolarHBondContact O-N 3.43Å; C8-C29 WeakPolarHBondContact SG-CB 3.35Å; C8-C29 VanDerWaalsContact SG-SG 3.66Å; R10-C29 PolarHBondContact NE-SG 2.73Å; R10-C29 PolarHBondContact NH2-SG 2.92Å; C29-S42 WeakPolarHBondContact CA-O 3.22Å; C29-Y43 HydrophobicContact CB-CD1 3.71Å; C29-Y43 HydrophobicContact CB-CE1 3.67Å; C29-Y43 VanDerWaalsContact SG-CD1 3.57Å
30L98.1Very high92.9Very high2 Ų258 Ų581%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-102.4135174.9-178.272.9000109V5 V7 T32 F37 T41 S42 F100 Q116V5-L30 HydrophobicContact CG1-CD1 3.8Å; V7-L30 HydrophobicContact CB-CD1 4.45Å; L30-T32 HydrophobicContact CD2-CG2 4.45Å; L30-T32 HydrophobicContact CG-CG2 4.43Å; L30-F37 HydrophobicContact CD1-CE1 4.5Å; L30-F37 HydrophobicContact CD2-CD1 3.59Å; L30-F37 HydrophobicContact CD2-CE1 3.87Å; L30-F37 HydrophobicContact CD2-CG 4.16Å; L30-T41 VanDerWaalsContact O-CA 3.24Å; L30-T41 WeakPolarHBondContact O-CA 3.47Å; L30-S42 WeakPolarHBondContact CB-OG 3.47Å; L30-S42 PolarHBondContact N-O 2.83Å; L30-S42 PolarHBondContact O-N 3.08Å; L30-F100 HydrophobicContact CD1-CE2 4.06Å; L30-F100 HydrophobicContact CD1-CZ 4.12Å; L30-Q116 HydrophobicContact CD2-CG 4.3Å
31H98.1Very high94.4Very high97 Ų9749.4 Ų49.445%0.44924%0.244SC..EExtended strand (participates in β ladder)trans-135.2126.3168.3-174.451.2000110.1F4 S6 K40 T41F4-H31 AromaticContact CE2-CD2 3.49Å; F4-H31 VanDerWaalsContact CE2-CD2 3.49Å; F4-H31 WeakPolarHBondContact CE2-CD2 3.48Å; F4-H31 AromaticContact CE2-NE2 3.93Å; F4-H31 WeakPolarHBondContact CE2-O 3.42Å; F4-H31 AromaticContact CZ-CD2 3.65Å; F4-H31 AromaticContact CZ-NE2 3.57Å; S6-H31 PolarHBondContact N-O 3.37Å; S6-H31 PolarHBondContact O-N 2.96Å; S6-H31 VanDerWaalsContact O-O 3.12Å; H31-K40 WeakPolarHBondContact CA-O 3.42Å; H31-K40 PolarHBondContact ND1-O 3.2Å; H31-T41 HydrophobicContact CB-CG2 4.47Å; H31-T41 WeakPolarHBondContact ND1-CG2 3.36Å
32T97.8Very high95.5Very high2 Ų243.9 Ų43.91%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-156149.5-173.9-178.60000111.8F4 V5 L30 S34 F37 K40F4-T32 WeakPolarHBondContact O-CA 3.23Å; F4-T32 WeakPolarHBondContact O-CB 3.39Å; F4-T32 PolarHBondContact O-OG1 3.31Å; V5-T32 WeakPolarHBondContact CG2-OG1 3.34Å; L30-T32 HydrophobicContact CD2-CG2 4.45Å; L30-T32 HydrophobicContact CG-CG2 4.43Å; T32-S34 VanDerWaalsContact OG1-CB 3.25Å; T32-S34 WeakPolarHBondContact OG1-CB 3.37Å; T32-S34 PolarHBondContact OG1-N 3.46Å; T32-F37 HydrophobicContact CG2-CB 3.76Å; T32-F37 HydrophobicContact CG2-CD2 3.87Å; T32-F37 HydrophobicContact CG2-CG 3.93Å; T32-K40 PolarHBondContact N-O 2.81Å; T32-K40 WeakPolarHBondContact O-CA 3.4Å; T32-K40 WeakPolarHBondContact O-CB 3.28Å; T32-K40 WeakPolarHBondContact O-CD 3.46Å
33N96.8Very high96.2Very high52 Ų5244.3 Ų44.328%0.27821%0.211SC..  trans-99.4-2.4164.368.1-1000112.9Q2 E3 F4 K40Q2-N33 PolarHBondContact O-ND2 2.95Å; E3-N33 VanDerWaalsContact CA-OD1 3.29Å; E3-N33 WeakPolarHBondContact CA-OD1 3.39Å; F4-N33 HydrophobicContact CD1-CB 4.15Å; F4-N33 VanDerWaalsContact CD1-CG 3.4Å; F4-N33 WeakPolarHBondContact CD1-ND2 3.47Å; F4-N33 WeakPolarHBondContact CD1-OD1 3.49Å; F4-N33 HydrophobicContact CE1-CB 3.75Å; F4-N33 HydrophobicContact CZ-CB 4.37Å; F4-N33 PolarHBondContact N-OD1 3.23Å; F4-N33 PolarHBondContact O-N 2.73Å; F4-N33 PolarHBondContact O-OD1 3.17Å; N33-K40 PolarHBondContact O-NZ 3.37Å
34S96.3Very high96.7Very high1 Ų141.6 Ų41.61%0.00720%0.199CC..  trans-63.7149.6-176.7-178.50000112.8E3 T32 C36 K40E3-S34 VanDerWaalsContact CD-OG 3.27Å; E3-S34 WeakPolarHBondContact OE1-CA 3.46Å; E3-S34 WeakPolarHBondContact OE1-CB 3.2Å; E3-S34 PolarHBondContact OE1-OG 3.36Å; T32-S34 VanDerWaalsContact OG1-CB 3.25Å; T32-S34 WeakPolarHBondContact OG1-CB 3.37Å; T32-S34 PolarHBondContact OG1-N 3.46Å; S34-C36 VanDerWaalsContact C-N 3.34Å; S34-C36 PolarHBondContact OG-N 2.98Å; S34-K40 PolarHBondContact O-NZ 3.26Å
35M95.4Very high96.9Very high160 Ų16042.9 Ų42.979%0.78820%0.202SC*.SBendtrans-84.4-10.4175.1-59.9-55.9166.500113E3 F37E3-M35 PolarHBondContact OE1-N 3.4Å; M35-F37 PolarHBondContact O-N 2.87Å
36C95.8Very high97Very high63 Ų6342.9 Ų42.943%0.42620%0.201SC..SBendtrans-65-24.2173.4-61.60000111.9S34 L106 H112S34-C36 VanDerWaalsContact C-N 3.34Å; S34-C36 PolarHBondContact OG-N 2.98Å; C36-L106 HydrophobicContact CB-CD1 4.45Å; C36-H112 PolarHBondContact O-CE1 2.8Å
37F97Very high96.9Very high6 Ų643.3 Ų43.33%0.02620%0.204CC..SBendtrans-107.8137.1-177.3-64.3-86.8000111.4V5 L30 T32 M35 F100 L106 H112 L115V5-F37 HydrophobicContact CB-CE2 4.4Å; V5-F37 HydrophobicContact CG1-CD2 4.45Å; V5-F37 HydrophobicContact CG1-CE2 3.67Å; V5-F37 HydrophobicContact CG1-CZ 3.94Å; V5-F37 HydrophobicContact CG2-CD2 4.33Å; V5-F37 HydrophobicContact CG2-CE2 3.75Å; L30-F37 HydrophobicContact CD1-CE1 4.5Å; L30-F37 HydrophobicContact CD2-CD1 3.59Å; L30-F37 HydrophobicContact CD2-CE1 3.87Å; L30-F37 HydrophobicContact CD2-CG 4.16Å; T32-F37 HydrophobicContact CG2-CB 3.76Å; T32-F37 HydrophobicContact CG2-CD2 3.87Å; T32-F37 HydrophobicContact CG2-CG 3.93Å; M35-F37 PolarHBondContact O-N 2.87Å; F37-F100 HydrophobicContact CE1-CE1 4.3Å; F37-F100 AromaticContact CZ-CD1 3.95Å; F37-F100 HydrophobicContact CZ-CD1 3.95Å; F37-F100 AromaticContact CZ-CE1 3.9Å; F37-F100 HydrophobicContact CZ-CE1 3.9Å; F37-F100 HydrophobicContact CZ-CG 4.48Å; F37-F100 HydrophobicContact CZ-CZ 4.37Å; F37-L106 HydrophobicContact CE1-CD2 4.43Å; F37-L106 HydrophobicContact CE2-CD2 3.98Å; F37-L106 HydrophobicContact CZ-CD2 3.58Å; F37-H112 AromaticContact CD1-CE1 3.82Å; F37-H112 AromaticContact CD1-ND1 3.65Å; F37-H112 AromaticContact CE1-CE1 3.96Å; F37-H112 AromaticContact CE1-ND1 3.99Å; F37-L115 HydrophobicContact CE1-CD1 3.94Å
38R95.4Very high96.8Very high147 Ų14743.8 Ų43.856%0.55521%0.205SC*.SBendtrans-70.7-46.3-178.2-174.481-179.3110.12.3111.4Q116 I140R38-Q116 VanDerWaalsContact N-OE1 3.08Å; R38-I140 HydrophobicContact CB-CD1 4.44Å; R38-I140 HydrophobicContact CB-CG2 3.82Å; R38-I140 HydrophobicContact CG-CB 4.46Å; R38-I140 HydrophobicContact CG-CG2 3.93Å
39K95.9Very high96.6Very high30 Ų3047.4 Ų47.413%0.1323%0.231CC..  trans-98140.7174.6-69178.4161.5171.40110.8T41 Q116 I140 S143K39-T41 VanDerWaalsContact C-N 3.33Å; K39-T41 WeakPolarHBondContact CB-O 3.25Å; K39-Q116 PolarHBondContact O-NE2 3.3Å; K39-I140 HydrophobicContact CD-CG2 4.05Å; K39-I140 WeakPolarHBondContact CE-O 3.27Å; K39-I140 HydrophobicContact CG-CG2 4.01Å; K39-I140 PolarHBondContact NZ-O 2.96Å; K39-S143 PolarHBondContact NZ-O 2.93Å; K39-S143 PolarHBondContact NZ-OG 2.67Å
40K96.3Very high96.6Very high86 Ų8648.6 Ų48.637%0.37424%0.236SC..SBendtrans-77-23.5174.8-59-63.2174.5-1700112.6H31 T32 N33 S34H31-K40 WeakPolarHBondContact CA-O 3.42Å; H31-K40 PolarHBondContact ND1-O 3.2Å; T32-K40 PolarHBondContact N-O 2.81Å; T32-K40 WeakPolarHBondContact O-CA 3.4Å; T32-K40 WeakPolarHBondContact O-CB 3.28Å; T32-K40 WeakPolarHBondContact O-CD 3.46Å; N33-K40 PolarHBondContact O-NZ 3.37Å; S34-K40 PolarHBondContact O-NZ 3.26Å
41T96.8Very high96.6Very high50 Ų5048.5 Ų48.531%0.30724%0.236SC..EExtended strand (participates in β ladder)trans-136.8138.8171.647.30000110L30 H31 K39L30-T41 VanDerWaalsContact O-CA 3.24Å; L30-T41 WeakPolarHBondContact O-CA 3.47Å; H31-T41 HydrophobicContact CB-CG2 4.47Å; H31-T41 WeakPolarHBondContact ND1-CG2 3.36Å; K39-T41 VanDerWaalsContact C-N 3.33Å; K39-T41 WeakPolarHBondContact CB-O 3.25Å
42S97.1Very high96.5Very high4 Ų447.1 Ų47.13%0.02823%0.234CC..EExtended strand (participates in β ladder)trans-145.4150.4168.959.80000111.1C29 L30 L115C29-S42 WeakPolarHBondContact CA-O 3.22Å; L30-S42 WeakPolarHBondContact CB-OG 3.47Å; L30-S42 PolarHBondContact N-O 2.83Å; L30-S42 PolarHBondContact O-N 3.08Å; S42-L115 WeakPolarHBondContact CB-O 3.42Å; S42-L115 PolarHBondContact OG-O 2.82Å
43Y96.6Very high96.4Very high96 Ų9648.8 Ų48.838%0.37624%0.24SC..EExtended strand (participates in β ladder)trans-131.9114.2177.1-57.4-88000106.7I28 C29I28-Y43 WeakPolarHBondContact O-CA 3.38Å; C29-Y43 HydrophobicContact CB-CD1 3.71Å; C29-Y43 HydrophobicContact CB-CE1 3.67Å; C29-Y43 VanDerWaalsContact SG-CD1 3.57Å
44V97.1Very high96.5Very high4 Ų446.3 Ų46.32%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-133.6156.4-179.4-64.10000109.3E27 I28 R46 F114 L115E27-V44 WeakPolarHBondContact CA-O 3.33Å; I28-V44 HydrophobicContact CB-CG2 3.91Å; I28-V44 HydrophobicContact CD1-CG2 4.23Å; I28-V44 HydrophobicContact CG1-CG2 4.45Å; I28-V44 PolarHBondContact N-O 3.38Å; I28-V44 PolarHBondContact O-N 3.2Å; V44-R46 HydrophobicContact CG2-CG 4.4Å; V44-F114 WeakPolarHBondContact CG2-O 3.49Å; V44-L115 WeakPolarHBondContact CG1-O 3.49Å; V44-L115 WeakPolarHBondContact CG2-O 3.34Å
45R96.7Very high96.4Very high57 Ų5749.3 Ų49.322%0.21524%0.238CC..EExtended strand (participates in β ladder)trans-112.3130.4175.4-56.7-167.169.182.89.9111.1D11 R13 D25 Y26D11-R45 PolarHBondContact O-NH2 2.96Å; D11-R45 IonicContact OD2-CZ 2.75Å; D11-R45 IonicContact OD2-NH1 3.66Å; D11-R45 PolarHBondContact OD2-NH1 2.88Å; R13-R45 VanDerWaalsContact CD-CZ 3.42Å; D25-R45 VanDerWaalsContact CG-NE 3.33Å; D25-R45 IonicContact OD1-CZ 2.72Å; D25-R45 IonicContact OD1-NE 3.15Å; D25-R45 PolarHBondContact OD1-NE 2.98Å; D25-R45 IonicContact OD1-NH2 3.33Å; D25-R45 PolarHBondContact OD1-NH2 3.3Å; D25-R45 VanDerWaalsContact OD2-CB 3.28Å; D25-R45 WeakPolarHBondContact OD2-CB 3.32Å; D25-R45 IonicContact OD2-CZ 2.67Å; D25-R45 IonicContact OD2-NE 3.04Å; D25-R45 PolarHBondContact OD2-NE 2.73Å; D25-R45 IonicContact OD2-NH2 3.16Å; Y26-R45 VanDerWaalsContact O-CA 3.29Å; Y26-R45 WeakPolarHBondContact O-CA 3.44Å
46R97.4Very high96.4Very high12 Ų1248 Ų485%0.04523%0.23CC..EExtended strand (participates in β ladder)trans-139.1137.8-176.5-62-66177.1-161.20.4110.8D25 Y26 I28 V44 D50 F51 L113 F114 S117 L119D25-R46 WeakPolarHBondContact CA-O 3.39Å; Y26-R46 PolarHBondContact N-O 3.16Å; Y26-R46 PolarHBondContact O-N 3.46Å; I28-R46 HydrophobicContact CD1-CB 3.88Å; I28-R46 HydrophobicContact CD1-CG 3.67Å; V44-R46 HydrophobicContact CG2-CG 4.4Å; R46-D50 HydrophobicContact CB-CB 4.29Å; R46-F51 HydrophobicContact CB-CD2 4.31Å; R46-F51 HydrophobicContact CB-CE2 3.91Å; R46-L113 PolarHBondContact NH2-O 2.89Å; R46-F114 HydrophobicContact CB-CE1 4.33Å; R46-F114 HydrophobicContact CB-CE2 4.12Å; R46-F114 HydrophobicContact CB-CZ 3.71Å; R46-F114 HydrophobicContact CG-CD1 4.31Å; R46-F114 HydrophobicContact CG-CD2 4.27Å; R46-F114 HydrophobicContact CG-CE1 3.82Å; R46-F114 HydrophobicContact CG-CE2 3.78Å; R46-F114 HydrophobicContact CG-CZ 3.53Å; R46-F114 PolarHBondContact NE-O 2.96Å; R46-F114 PolarHBondContact NH2-O 3.45Å; R46-S117 PolarHBondContact NH2-O 2.76Å; R46-L119 PolarHBondContact NH1-O 3.47Å; R46-L119 PolarHBondContact NH2-O 2.69Å; R46-L119 VanDerWaalsContact NH2-O 3.07Å
47S95.6Very high96.2Very high9 Ų945.5 Ų45.56%0.06321%0.213CC..EExtended strand (participates in β ladder)trans-82.2161173.772.60000111.4I24 S49 D50 F51I24-S47 WeakPolarHBondContact O-CA 3.18Å; I24-S47 WeakPolarHBondContact O-CB 3.42Å; S47-S49 PolarHBondContact O-N 3.21Å; S47-D50 PolarHBondContact N-OD2 3.07Å; S47-D50 WeakPolarHBondContact O-CB 3.39Å; S47-D50 PolarHBondContact O-N 3.22Å; S47-D50 PolarHBondContact OG-N 3.12Å; S47-D50 PolarHBondContact OG-OD1 2.65Å; S47-D50 PolarHBondContact OG-OD2 3.16Å; S47-F51 WeakPolarHBondContact O-CD2 3.36Å; S47-F51 PolarHBondContact O-N 2.98Å
48Y95.5Very high96Very high29 Ų2945.3 Ų45.311%0.11421%0.212CC..Hα-helixtrans-55.5-36.9173.5177.1-94000112.1D50 F51 V52 P71 W73 L92Y48-D50 VanDerWaalsContact C-N 3.29Å; Y48-D50 PolarHBondContact O-N 3.15Å; Y48-F51 WeakPolarHBondContact O-CB 3.39Å; Y48-F51 PolarHBondContact O-N 3.38Å; Y48-F51 VanDerWaalsContact O-N 3.16Å; Y48-V52 HydrophobicContact CD1-CG2 4.01Å; Y48-V52 HydrophobicContact CE1-CG2 3.53Å; Y48-V52 PolarHBondContact O-N 3.16Å; Y48-P71 HydrophobicContact CE2-CG 4.11Å; Y48-P71 VanDerWaalsContact CE2-O 3.3Å; Y48-P71 WeakPolarHBondContact CE2-O 3.23Å; Y48-P71 PolarHBondContact OH-O 3.25Å; Y48-W73 HydrophobicContact CE1-CB 4.32Å; Y48-W73 PolarHBondContact OH-N 3.39Å; Y48-L92 HydrophobicContact CD2-CD2 4.15Å
49S94.8Very high95.7Very high78 Ų7841.8 Ų41.855%0.54520%0.202SC..Hα-helixtrans-59.6-39.9176.1-30.30000111.9S47 F51 V52 W53S47-S49 PolarHBondContact O-N 3.21Å; S49-F51 VanDerWaalsContact C-N 3.31Å; S49-F51 PolarHBondContact O-N 2.81Å; S49-V52 WeakPolarHBondContact O-CB 3.45Å; S49-V52 PolarHBondContact O-N 3.15Å; S49-W53 PolarHBondContact O-N 3.24Å
50D97.5Very high94.9Very high35 Ų3543 Ų4319%0.18722%0.223CC..Hα-helixtrans-65.2-37.5177.5-57.2-34.2000110.9R46 S47 Y48 W53 L54 F114 I121R46-D50 HydrophobicContact CB-CB 4.29Å; S47-D50 PolarHBondContact N-OD2 3.07Å; S47-D50 WeakPolarHBondContact O-CB 3.39Å; S47-D50 PolarHBondContact O-N 3.22Å; S47-D50 PolarHBondContact OG-N 3.12Å; S47-D50 PolarHBondContact OG-OD1 2.65Å; S47-D50 PolarHBondContact OG-OD2 3.16Å; Y48-D50 VanDerWaalsContact C-N 3.29Å; Y48-D50 PolarHBondContact O-N 3.15Å; D50-W53 WeakPolarHBondContact O-CB 3.39Å; D50-W53 PolarHBondContact O-N 3.01Å; D50-L54 WeakPolarHBondContact O-CB 3.44Å; D50-L54 PolarHBondContact O-N 3.33Å; D50-F114 HydrophobicContact CB-CE2 3.71Å; D50-F114 HydrophobicContact CB-CZ 4.46Å; D50-F114 WeakPolarHBondContact O-CE2 3.38Å; D50-I121 HydrophobicContact CB-CD1 3.95Å; D50-I121 HydrophobicContact CB-CG1 4.21Å; D50-I121 VanDerWaalsContact OD1-CG1 3.22Å; D50-I121 WeakPolarHBondContact OD1-CG1 3.28Å
51F97.9Very high93.8Very high0 Ų044 Ų440%023%0.233CC..Hα-helixtrans-65.3-40173.6-82.5-94.1000112.4I28 R46 S47 Y48 S49 W53 L54 R55 L70 L92 F95 L96 F114I28-F51 HydrophobicContact CD1-CE1 4.4Å; I28-F51 HydrophobicContact CD1-CE2 3.87Å; I28-F51 HydrophobicContact CD1-CZ 3.46Å; I28-F51 VanDerWaalsContact CD1-CZ 3.46Å; I28-F51 HydrophobicContact CG1-CE2 4.46Å; I28-F51 HydrophobicContact CG1-CZ 4.07Å; R46-F51 HydrophobicContact CB-CD2 4.31Å; R46-F51 HydrophobicContact CB-CE2 3.91Å; S47-F51 WeakPolarHBondContact O-CD2 3.36Å; S47-F51 PolarHBondContact O-N 2.98Å; Y48-F51 WeakPolarHBondContact O-CB 3.39Å; Y48-F51 PolarHBondContact O-N 3.38Å; Y48-F51 VanDerWaalsContact O-N 3.16Å; S49-F51 VanDerWaalsContact C-N 3.31Å; S49-F51 PolarHBondContact O-N 2.81Å; F51-W53 VanDerWaalsContact C-N 3.32Å; F51-L54 PolarHBondContact O-N 2.98Å; F51-R55 WeakPolarHBondContact O-CB 2.94Å; F51-R55 PolarHBondContact O-N 2.83Å; F51-L70 HydrophobicContact CB-CD1 4.32Å; F51-L70 HydrophobicContact CB-CD2 3.86Å; F51-L70 HydrophobicContact CD1-CD2 4.16Å; F51-L70 HydrophobicContact CG-CD2 4.42Å; F51-L92 HydrophobicContact CB-CD2 4.02Å; F51-L92 HydrophobicContact CD1-CD2 3.77Å; F51-L92 HydrophobicContact CD2-CD1 4.25Å; F51-L92 HydrophobicContact CD2-CD2 3.91Å; F51-L92 HydrophobicContact CE1-CB 4.16Å; F51-L92 HydrophobicContact CE1-CD2 4.1Å; F51-L92 HydrophobicContact CE2-CD1 4.05Å; F51-L92 HydrophobicContact CE2-CD2 4.25Å; F51-L92 HydrophobicContact CG-CD2 3.65Å; F51-L92 HydrophobicContact CZ-CB 4.12Å; F51-L92 HydrophobicContact CZ-CD1 4.4Å; F51-L92 HydrophobicContact CZ-CD2 4.33Å; F51-F95 AromaticContact CD1-CD1 3.87Å; F51-F95 HydrophobicContact CD1-CD1 3.87Å; F51-F95 HydrophobicContact CD1-CE1 4.05Å; F51-F95 HydrophobicContact CE1-CD1 4.19Å; F51-L96 HydrophobicContact CE1-CD1 3.85Å; F51-L96 HydrophobicContact CE1-CD2 4.03Å; F51-L96 HydrophobicContact CE1-CG 3.86Å; F51-L96 HydrophobicContact CZ-CD1 4.1Å; F51-F114 HydrophobicContact CD1-CE1 4.42Å; F51-F114 HydrophobicContact CD1-CZ 4.07Å; F51-F114 AromaticContact CD2-CZ 3.83Å; F51-F114 HydrophobicContact CD2-CZ 3.83Å; F51-F114 HydrophobicContact CE1-CE1 4.15Å; F51-F114 HydrophobicContact CE1-CZ 4.15Å; F51-F114 HydrophobicContact CE2-CE1 4.38Å; F51-F114 AromaticContact CE2-CZ 3.91Å; F51-F114 HydrophobicContact CE2-CZ 3.91Å; F51-F114 AromaticContact CG-CZ 3.92Å; F51-F114 HydrophobicContact CG-CZ 3.92Å; F51-F114 HydrophobicContact CZ-CE1 4.13Å; F51-F114 HydrophobicContact CZ-CZ 4.08Å
52V96.6Very high92.6Very high68 Ų6842.1 Ų42.141%0.41222%0.222SC..Hα-helixtrans-60.2-45.5174.4174.20000110.4Y48 S49 R55 H56 L70Y48-V52 HydrophobicContact CD1-CG2 4.01Å; Y48-V52 HydrophobicContact CE1-CG2 3.53Å; Y48-V52 PolarHBondContact O-N 3.16Å; S49-V52 WeakPolarHBondContact O-CB 3.45Å; S49-V52 PolarHBondContact O-N 3.15Å; V52-R55 PolarHBondContact O-N 3Å; V52-H56 PolarHBondContact O-N 3.28Å; V52-H56 VanDerWaalsContact O-N 3.08Å; V52-L70 HydrophobicContact CB-CD1 4.37Å; V52-L70 HydrophobicContact CG2-CD1 3.92Å
53W96.7Very high91.1Very high38 Ų3850 Ų5014%0.14426%0.263CS..Hα-helixtrans-59.4-45.8174168.988.6000112.2S49 D50 F51 R55 H56 C57 R110 F114 I121 I124 E125S49-W53 PolarHBondContact O-N 3.24Å; D50-W53 WeakPolarHBondContact O-CB 3.39Å; D50-W53 PolarHBondContact O-N 3.01Å; F51-W53 VanDerWaalsContact C-N 3.32Å; W53-R55 PolarHBondContact O-N 2.8Å; W53-H56 PolarHBondContact O-N 2.89Å; W53-C57 WeakPolarHBondContact CZ2-SG 3.48Å; W53-C57 PolarHBondContact O-N 3.23Å; W53-C57 PolarHBondContact O-SG 2.94Å; W53-C57 VanDerWaalsContact O-SG 3.37Å; W53-R110 HydrophobicContact CH2-CB 3.96Å; W53-R110 HydrophobicContact CH2-CG 4.25Å; W53-F114 HydrophobicContact CE3-CD2 4.49Å; W53-F114 HydrophobicContact CZ3-CD2 4.26Å; W53-I121 HydrophobicContact CD2-CD1 3.93Å; W53-I121 HydrophobicContact CD2-CG1 4.36Å; W53-I121 HydrophobicContact CD2-CG2 3.46Å; W53-I121 VanDerWaalsContact CD2-CG2 3.46Å; W53-I121 HydrophobicContact CE3-CD1 3.43Å; W53-I121 VanDerWaalsContact CE3-CD1 3.43Å; W53-I121 HydrophobicContact CE3-CG1 4.33Å; W53-I121 HydrophobicContact CE3-CG2 4.14Å; W53-I121 HydrophobicContact CG-CG2 3.61Å; W53-I121 HydrophobicContact CH2-CD1 4.42Å; W53-I121 HydrophobicContact CZ2-CG2 3.96Å; W53-I121 HydrophobicContact CZ3-CD1 3.73Å; W53-I124 HydrophobicContact CH2-CB 4.14Å; W53-I124 HydrophobicContact CH2-CG2 3.55Å; W53-I124 HydrophobicContact CZ2-CG2 4.3Å; W53-I124 HydrophobicContact CZ3-CG2 4.38Å; W53-E125 HydrophobicContact CZ2-CG 3.62Å; W53-E125 PolarHBondContact NE1-OE1 3.07Å
54L97.4Very high89.9Confident0 Ų052.2 Ų52.20%029%0.287CS..Hα-helixtrans-60.6-46.6179.3174.464.7000110.8D50 F51 H56 C57 L58 F95 L96 L111 F114D50-L54 WeakPolarHBondContact O-CB 3.44Å; D50-L54 PolarHBondContact O-N 3.33Å; F51-L54 PolarHBondContact O-N 2.98Å; L54-H56 VanDerWaalsContact C-N 3.31Å; L54-H56 PolarHBondContact O-N 3.05Å; L54-C57 WeakPolarHBondContact O-CB 3.39Å; L54-C57 PolarHBondContact O-N 3.41Å; L54-C57 VanDerWaalsContact O-N 3.16Å; L54-L58 HydrophobicContact CD1-CD1 4.3Å; L54-L58 HydrophobicContact CD1-CG 4.22Å; L54-L58 HydrophobicContact CG-CD1 4.14Å; L54-L58 HydrophobicContact CG-CG 4.46Å; L54-L58 WeakPolarHBondContact O-CG 3.27Å; L54-L58 PolarHBondContact O-N 3.08Å; L54-F95 HydrophobicContact CD2-CE1 4.13Å; L54-L96 HydrophobicContact CD2-CD2 4.45Å; L54-L111 HydrophobicContact CD1-CB 4.37Å; L54-L111 HydrophobicContact CD1-CD1 4.16Å; L54-L111 HydrophobicContact CD2-CD1 3.89Å; L54-F114 HydrophobicContact CB-CD2 4.17Å; L54-F114 HydrophobicContact CB-CE2 4.11Å; L54-F114 HydrophobicContact CD1-CB 4.39Å; L54-F114 HydrophobicContact CD1-CG 4.47Å; L54-F114 HydrophobicContact CD2-CD1 3.67Å; L54-F114 HydrophobicContact CD2-CD2 4.16Å; L54-F114 HydrophobicContact CD2-CE1 3.74Å; L54-F114 HydrophobicContact CD2-CE2 4.2Å; L54-F114 HydrophobicContact CD2-CG 3.88Å; L54-F114 HydrophobicContact CD2-CZ 4.01Å
55R95.6Very high89Confident63 Ų6354.2 Ų54.224%0.23830%0.297CS..Hα-helixtrans-57.4-45.6177.6-176.5178.1176.2-68.8-12.4111F51 V52 W53 C57 L58 E59 L67 P68 L70 F95F51-R55 WeakPolarHBondContact O-CB 2.94Å; F51-R55 PolarHBondContact O-N 2.83Å; V52-R55 PolarHBondContact O-N 3Å; W53-R55 PolarHBondContact O-N 2.8Å; R55-C57 VanDerWaalsContact C-N 3.34Å; R55-C57 PolarHBondContact O-N 2.92Å; R55-L58 PolarHBondContact O-N 2.93Å; R55-E59 IonicContact CZ-OE1 3.01Å; R55-E59 IonicContact NH1-OE1 2.84Å; R55-E59 PolarHBondContact NH1-OE1 2.87Å; R55-E59 IonicContact NH1-OE2 2.69Å; R55-E59 PolarHBondContact NH1-OE2 3.02Å; R55-E59 IonicContact NH2-OE1 3.2Å; R55-E59 PolarHBondContact NH2-OE1 3.47Å; R55-E59 WeakPolarHBondContact O-CB 3.49Å; R55-E59 PolarHBondContact O-N 2.63Å; R55-L67 HydrophobicContact CG-CD1 3.94Å; R55-L67 VanDerWaalsContact O-CD1 3.23Å; R55-L67 WeakPolarHBondContact O-CD1 3.41Å; R55-P68 PolarHBondContact NE-O 3.22Å; R55-L70 HydrophobicContact CB-CD1 3.88Å; R55-L70 HydrophobicContact CB-CG 4.46Å; R55-L70 HydrophobicContact CG-CD1 4.46Å; R55-F95 HydrophobicContact CB-CE2 4.07Å; R55-F95 HydrophobicContact CB-CZ 4.01Å; R55-F95 HydrophobicContact CG-CE2 4.05Å; R55-F95 HydrophobicContact CG-CZ 4.44Å
56H93.9Very high88.3Confident133 Ų13359.3 Ų59.362%0.61632%0.323SS*.Hα-helixtrans-62-40.4177.3-173.958.4000112.6V52 W53 L54 E59 G60V52-H56 PolarHBondContact O-N 3.28Å; V52-H56 VanDerWaalsContact O-N 3.08Å; W53-H56 PolarHBondContact O-N 2.89Å; L54-H56 VanDerWaalsContact C-N 3.31Å; L54-H56 PolarHBondContact O-N 3.05Å; H56-E59 IonicContact ND1-OE2 4Å; H56-E59 WeakPolarHBondContact O-CB 3.49Å; H56-E59 PolarHBondContact O-N 3.37Å; H56-G60 PolarHBondContact O-N 3.49Å
57C93Very high87.8Confident11 Ų1159.3 Ų59.37%0.07432%0.324CS..Hα-helixtrans-61.2-44.1175.6-74.70000112.7W53 L54 R55 E59 R110W53-C57 WeakPolarHBondContact CZ2-SG 3.48Å; W53-C57 PolarHBondContact O-N 3.23Å; W53-C57 PolarHBondContact O-SG 2.94Å; W53-C57 VanDerWaalsContact O-SG 3.37Å; L54-C57 WeakPolarHBondContact O-CB 3.39Å; L54-C57 PolarHBondContact O-N 3.41Å; L54-C57 VanDerWaalsContact O-N 3.16Å; R55-C57 VanDerWaalsContact C-N 3.34Å; R55-C57 PolarHBondContact O-N 2.92Å; C57-E59 VanDerWaalsContact C-N 3.26Å; C57-E59 PolarHBondContact O-N 3.16Å; C57-R110 PolarHBondContact O-NH2 2.56Å
58L92.5Very high87.5Confident1 Ų159.9 Ų59.91%0.00533%0.328CS..Hα-helixtrans-65.5-32.4176.9-67.7176.8000111.6L54 R55 N61 A62 L67 F95 V99 L105 D108L54-L58 HydrophobicContact CD1-CD1 4.3Å; L54-L58 HydrophobicContact CD1-CG 4.22Å; L54-L58 HydrophobicContact CG-CD1 4.14Å; L54-L58 HydrophobicContact CG-CG 4.46Å; L54-L58 WeakPolarHBondContact O-CG 3.27Å; L54-L58 PolarHBondContact O-N 3.08Å; R55-L58 PolarHBondContact O-N 2.93Å; L58-N61 PolarHBondContact O-N 3.14Å; L58-A62 WeakPolarHBondContact O-CB 3.49Å; L58-A62 PolarHBondContact O-N 3.21Å; L58-L67 HydrophobicContact CB-CD1 3.93Å; L58-L67 HydrophobicContact CB-CD2 4.11Å; L58-F95 HydrophobicContact CD1-CZ 4.39Å; L58-V99 HydrophobicContact CD1-CG1 4.12Å; L58-V99 HydrophobicContact CD1-CG2 3.98Å; L58-L105 HydrophobicContact CB-CD2 4.23Å; L58-L105 HydrophobicContact CD2-CB 4.32Å; L58-L105 HydrophobicContact CD2-CD2 4.26Å; L58-D108 HydrophobicContact CD2-CB 3.98Å
59E89.3Confident87.3Confident74 Ų7466.2 Ų66.235%0.34636%0.356SS..Hα-helixtrans-66.4-43.4-177.6-131.9157.5-148.100110.9R55 H56 C57 N61 A62 L67R55-E59 IonicContact CZ-OE1 3.01Å; R55-E59 IonicContact NH1-OE1 2.84Å; R55-E59 PolarHBondContact NH1-OE1 2.87Å; R55-E59 IonicContact NH1-OE2 2.69Å; R55-E59 PolarHBondContact NH1-OE2 3.02Å; R55-E59 IonicContact NH2-OE1 3.2Å; R55-E59 PolarHBondContact NH2-OE1 3.47Å; R55-E59 WeakPolarHBondContact O-CB 3.49Å; R55-E59 PolarHBondContact O-N 2.63Å; H56-E59 IonicContact ND1-OE2 4Å; H56-E59 WeakPolarHBondContact O-CB 3.49Å; H56-E59 PolarHBondContact O-N 3.37Å; C57-E59 VanDerWaalsContact C-N 3.26Å; C57-E59 PolarHBondContact O-N 3.16Å; E59-N61 PolarHBondContact O-N 3.48Å; E59-A62 PolarHBondContact O-N 3.27Å; E59-A62 VanDerWaalsContact O-N 3.15Å; E59-L67 HydrophobicContact CB-CD1 3.68Å; E59-L67 HydrophobicContact CG-CD1 3.56Å; E59-L67 HydrophobicContact CG-CG 4.27Å
60G79.3Confident87.3Confident56 Ų5663.8 Ų63.858%0.57734%0.337SS*.Hα-helixtrans-62.1-23.8177.100000114H56H56-G60 PolarHBondContact O-N 3.49Å
61N73.2Confident87Confident106 Ų10662.9 Ų62.957%0.56733%0.332SS*.THydrogen-bonded Turntrans-94.4-8.5-179.9-73.17.5000113.4L58 E59 D108 R110L58-N61 PolarHBondContact O-N 3.14Å; E59-N61 PolarHBondContact O-N 3.48Å; N61-D108 PolarHBondContact ND2-OD2 3.49Å; N61-R110 PolarHBondContact ND2-NH2 2.72Å; N61-R110 PolarHBondContact OD1-NH2 2.96Å
62A70Confident86.6Confident11 Ų1167.2 Ų67.29%0.09136%0.36CS..  trans-129.953.6-162.500000112.4L58 E59 T64 I65 L105L58-A62 WeakPolarHBondContact O-CB 3.49Å; L58-A62 PolarHBondContact O-N 3.21Å; E59-A62 PolarHBondContact O-N 3.27Å; E59-A62 VanDerWaalsContact O-N 3.15Å; A62-T64 PolarHBondContact O-N 2.86Å; A62-I65 HydrophobicContact CB-CB 4Å; A62-I65 HydrophobicContact CB-CD1 3.87Å; A62-I65 HydrophobicContact CB-CG1 4.39Å; A62-I65 PolarHBondContact O-N 3.32Å; A62-L105 HydrophobicContact CB-CD2 3.93Å
63L67.1Low86.2Confident168 Ų16872.4 Ų72.488%0.8837%0.373SS*.THydrogen-bonded Turntrans-53.2-15.4-171.9-65.9173.6000116.3
64T71.9Confident85.7Confident143 Ų14372.5 Ų72.588%0.87738%0.376SS*.THydrogen-bonded Turntrans-124.1-1.7-178.8-44.50000113.2A62A62-T64 PolarHBondContact O-N 2.86Å
65I77.9Confident84.8Confident46 Ų4675.9 Ų75.924%0.23640%0.397CS..SBendtrans-97.6129.3-176.6-64.5159.7000109.2A62 L67 N102 L104A62-I65 HydrophobicContact CB-CB 4Å; A62-I65 HydrophobicContact CB-CD1 3.87Å; A62-I65 HydrophobicContact CB-CG1 4.39Å; A62-I65 PolarHBondContact O-N 3.32Å; I65-L67 PolarHBondContact O-N 3.36Å; I65-L67 VanDerWaalsContact O-N 3.16Å; I65-N102 WeakPolarHBondContact CD1-ND2 3.49Å; I65-N102 WeakPolarHBondContact CG2-ND2 3.36Å; I65-L104 HydrophobicContact CD1-CB 4.06Å; I65-L104 HydrophobicContact CD1-CD1 3.75Å
66E80.9Confident84Confident165 Ų16582.5 Ų82.577%0.77143%0.429SS*.  trans-70.5109166.6-169177.4179.100109.1
67L87.1Confident83.6Confident11 Ų1177.8 Ų77.86%0.05841%0.406CS..PPolyproline II helixtrans-70.6143.6178.8-78.6-167.6000111.9R55 L58 E59 I65 K69 L105R55-L67 HydrophobicContact CG-CD1 3.94Å; R55-L67 VanDerWaalsContact O-CD1 3.23Å; R55-L67 WeakPolarHBondContact O-CD1 3.41Å; L58-L67 HydrophobicContact CB-CD1 3.93Å; L58-L67 HydrophobicContact CB-CD2 4.11Å; E59-L67 HydrophobicContact CB-CD1 3.68Å; E59-L67 HydrophobicContact CG-CD1 3.56Å; E59-L67 HydrophobicContact CG-CG 4.27Å; I65-L67 PolarHBondContact O-N 3.36Å; I65-L67 VanDerWaalsContact O-N 3.16Å; L67-K69 PolarHBondContact O-N 3.29Å; L67-L105 HydrophobicContact CD2-CD1 3.76Å; L67-L105 HydrophobicContact CD2-CD2 3.8Å; L67-L105 HydrophobicContact CD2-CG 4.45Å
68P89.6Confident83.1Confident22 Ų2279.5 Ų79.514%0.14342%0.418CS..PPolyproline II helixtrans-54.4140.1171.7-23.535000111.3R55 F95 N98 V99R55-P68 PolarHBondContact NE-O 3.22Å; P68-F95 HydrophobicContact CB-CD2 3.81Å; P68-F95 HydrophobicContact CB-CE2 4.3Å; P68-F95 WeakPolarHBondContact O-CD2 3.29Å; P68-N98 HydrophobicContact CB-CB 3.72Å; P68-N98 HydrophobicContact CG-CB 3.39Å; P68-V99 HydrophobicContact CG-CG2 4.08Å
69K90.6Very high82.9Confident162 Ų16282 Ų8270%0.70443%0.432SS*.PPolyproline II helixtrans-79.9134.9180-66.6175.8-175.9168.90109.2L67L67-K69 PolarHBondContact O-N 3.29Å
70L95.2Very high82.9Confident27 Ų2787.7 Ų87.714%0.14146%0.455CS..PPolyproline II helixtrans-73154.5167.6-74.9168.6000109.9F51 V52 R55 L92 F95F51-L70 HydrophobicContact CB-CD1 4.32Å; F51-L70 HydrophobicContact CB-CD2 3.86Å; F51-L70 HydrophobicContact CD1-CD2 4.16Å; F51-L70 HydrophobicContact CG-CD2 4.42Å; V52-L70 HydrophobicContact CB-CD1 4.37Å; V52-L70 HydrophobicContact CG2-CD1 3.92Å; R55-L70 HydrophobicContact CB-CD1 3.88Å; R55-L70 HydrophobicContact CB-CG 4.46Å; R55-L70 HydrophobicContact CG-CD1 4.46Å; L70-L92 HydrophobicContact CD2-CD2 3.92Å; L70-F95 HydrophobicContact CD2-CB 4.08Å; L70-F95 HydrophobicContact CD2-CD1 3.86Å; L70-F95 HydrophobicContact CD2-CD2 3.65Å; L70-F95 HydrophobicContact CD2-CE1 4.22Å; L70-F95 HydrophobicContact CD2-CE2 4.04Å; L70-F95 HydrophobicContact CD2-CG 3.57Å; L70-F95 HydrophobicContact CD2-CZ 4.31Å; L70-F95 HydrophobicContact CG-CD2 3.99Å; L70-F95 HydrophobicContact CG-CE2 4.16Å; L70-F95 HydrophobicContact CG-CG 4.41Å
71P92.2Very high83.5Confident15 Ų1587.9 Ų87.910%0.09744%0.443CS..PPolyproline II helixtrans-56.2144.1168.121.9-28.4000109Y48 R88 L92Y48-P71 HydrophobicContact CE2-CG 4.11Å; Y48-P71 VanDerWaalsContact CE2-O 3.3Å; Y48-P71 WeakPolarHBondContact CE2-O 3.23Å; Y48-P71 PolarHBondContact OH-O 3.25Å; P71-R88 HydrophobicContact CG-CG 4.28Å; P71-L92 HydrophobicContact CG-CD2 3.89Å; P71-L92 HydrophobicContact CG-CG 4.03Å
72P88.4Confident84.4Confident91 Ų9191.5 Ų91.559%0.59145%0.453SS*.PPolyproline II helixtrans-59.8148-174.524.5-33.7000110.8I74P72-I74 PolarHBondContact O-N 3.08Å
73W88.8Confident85.4Confident178 Ų17898.2 Ų98.267%0.67448%0.483SS*.PPolyproline II helixtrans-63.7135.8167.3-17984.1000108.9Y48 P75Y48-W73 HydrophobicContact CE1-CB 4.32Å; Y48-W73 PolarHBondContact OH-N 3.39Å; W73-P75 HydrophobicContact CH2-CB 3.68Å; W73-P75 HydrophobicContact CZ3-CB 3.66Å; W73-P75 HydrophobicContact CZ3-CG 4.11Å
74I85.1Confident86.6Confident40 Ų4093 Ų9321%0.20545%0.454CS..  trans-118.2115.7-176.3-60.7171000107.2P72 F77P72-I74 PolarHBondContact O-N 3.08Å; I74-F77 HydrophobicContact CB-CB 4.38Å; I74-F77 HydrophobicContact CB-CD2 4.31Å; I74-F77 HydrophobicContact CD1-CD2 4.13Å; I74-F77 PolarHBondContact O-N 3.4Å
75P79.5Confident87.6Confident70 Ų7086.6 Ų86.646%0.45542%0.415SS..THydrogen-bonded Turntrans-62.8140.8172.225.5-31.2000109.6W73 F77W73-P75 HydrophobicContact CH2-CB 3.68Å; W73-P75 HydrophobicContact CZ3-CB 3.66Å; W73-P75 HydrophobicContact CZ3-CG 4.11Å; P75-F77 PolarHBondContact O-N 3.46Å
76F78.6Confident88.4Confident203 Ų20387.7 Ų87.789%0.8943%0.427SS*.THydrogen-bonded Turntrans5832-179-46.4-75.1000114.6S78F76-S78 PolarHBondContact O-N 3.24Å
77F84.7Confident89.1Confident33 Ų3387 Ų8715%0.14542%0.421CS..  trans-51.9130.6174.5-177.6-93.7000111.4I24 Y26 I74 P75 L79 Q84 V85 R88I24-F77 HydrophobicContact CD1-CD1 3.61Å; I24-F77 HydrophobicContact CD1-CE1 3.7Å; I24-F77 HydrophobicContact CG2-CE1 4.43Å; Y26-F77 WeakPolarHBondContact OH-CE1 3.16Å; Y26-F77 WeakPolarHBondContact OH-CZ 3.35Å; I74-F77 HydrophobicContact CB-CB 4.38Å; I74-F77 HydrophobicContact CB-CD2 4.31Å; I74-F77 HydrophobicContact CD1-CD2 4.13Å; I74-F77 PolarHBondContact O-N 3.4Å; P75-F77 PolarHBondContact O-N 3.46Å; F77-L79 HydrophobicContact CE1-CD2 4.32Å; F77-Q84 HydrophobicContact CD2-CB 4.37Å; F77-Q84 HydrophobicContact CE2-CB 4.06Å; F77-V85 HydrophobicContact CE1-CG2 4.24Å; F77-V85 HydrophobicContact CE2-CG2 4.4Å; F77-V85 HydrophobicContact CZ-CB 4.34Å; F77-V85 HydrophobicContact CZ-CG2 3.68Å; F77-R88 VanDerWaalsContact CD2-CZ 3.44Å; F77-R88 HydrophobicContact CE2-CB 4.15Å; F77-R88 HydrophobicContact CZ-CB 4.43Å
78S83.7Confident89.5Confident47 Ų4787.1 Ų87.133%0.32942%0.421SS..  trans-132.8130.6-174.6178.20000111.5F76 K80 N81F76-S78 PolarHBondContact O-N 3.24Å; S78-K80 PolarHBondContact O-N 3.26Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K80 PolarHBondContact OG-N 2.73Å; S78-N81 PolarHBondContact O-N 2.89Å
79L87.8Confident89.8Confident55 Ų5587.7 Ų87.729%0.28842%0.422SS..THydrogen-bonded Turntrans-60.3-18.7173.5-70.5-176.4000113.6P12 L14 I24 F77 N81 V85P12-L79 HydrophobicContact CB-CD2 3.86Å; P12-L79 HydrophobicContact CG-CD2 4.39Å; L14-L79 HydrophobicContact CB-CD1 3.71Å; I24-L79 HydrophobicContact CD1-CD1 4.32Å; I24-L79 HydrophobicContact CD1-CD2 3.84Å; I24-L79 HydrophobicContact CD1-CG 3.65Å; I24-L79 HydrophobicContact CG1-CD1 4.21Å; I24-L79 HydrophobicContact CG1-CD2 4.17Å; I24-L79 HydrophobicContact CG1-CG 4.05Å; I24-L79 HydrophobicContact CG2-CD2 3.75Å; F77-L79 HydrophobicContact CE1-CD2 4.32Å; L79-N81 VanDerWaalsContact C-N 3.28Å; L79-V85 HydrophobicContact CD2-CG2 4.08Å
80K88.8Confident90.2Very high193 Ų19385.8 Ų85.884%0.83941%0.414SS*.THydrogen-bonded Turntrans-71.3-26.4176.7-60.9-177.1179.8-179.70112S78 K82S78-K80 PolarHBondContact O-N 3.26Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K80 PolarHBondContact OG-N 2.73Å; K80-K82 PolarHBondContact O-N 2.9Å
81N91.9Very high90.3Very high60 Ų6084.9 Ų84.932%0.32141%0.411SS..  trans-85.991.6177.1-171.5-30.7000110S78 L79 E83 Q84 V85S78-N81 PolarHBondContact O-N 2.89Å; L79-N81 VanDerWaalsContact C-N 3.28Å; N81-E83 PolarHBondContact O-N 3.3Å; N81-E83 PolarHBondContact OD1-N 3.37Å; N81-Q84 HydrophobicContact CB-CB 4.11Å; N81-Q84 HydrophobicContact CB-CG 4.21Å; N81-Q84 VanDerWaalsContact ND2-CD 3.32Å; N81-Q84 WeakPolarHBondContact ND2-CG 3.49Å; N81-Q84 PolarHBondContact O-N 3.2Å; N81-Q84 PolarHBondContact OD1-N 2.67Å; N81-Q84 VanDerWaalsContact OD1-N 3.08Å; N81-V85 VanDerWaalsContact O-CG2 3.27Å; N81-V85 WeakPolarHBondContact O-CG2 3.14Å; N81-V85 PolarHBondContact O-N 2.72Å
82K91.9Very high90.6Very high181 Ų18184.2 Ų84.279%0.78741%0.407SS*.Hα-helixtrans-59.3-32.7-177.5-66-174.8178.9-178.70113.4K80 S86K80-K82 PolarHBondContact O-N 2.9Å; K82-S86 VanDerWaalsContact O-CB 3.26Å; K82-S86 WeakPolarHBondContact O-CB 3.4Å; K82-S86 PolarHBondContact O-N 3.17Å
83E92.8Very high91Very high153 Ų15382.4 Ų82.472%0.71539%0.39SS*.Hα-helixtrans-68.1-48.5178.5-172.3-173.3169.100111.1N81 V85 S86 K87N81-E83 PolarHBondContact O-N 3.3Å; N81-E83 PolarHBondContact OD1-N 3.37Å; E83-V85 VanDerWaalsContact C-N 3.3Å; E83-V85 PolarHBondContact O-N 3.11Å; E83-S86 PolarHBondContact O-N 2.82Å; E83-K87 WeakPolarHBondContact O-CB 3.12Å; E83-K87 PolarHBondContact O-N 3.42Å
84Q91.5Very high91.5Very high58 Ų5877.6 Ų77.627%0.27138%0.375SS..Hα-helixtrans-60.4-41.8176.1-74.6-178.8-600111.8F77 N81 R88F77-Q84 HydrophobicContact CD2-CB 4.37Å; F77-Q84 HydrophobicContact CE2-CB 4.06Å; N81-Q84 HydrophobicContact CB-CB 4.11Å; N81-Q84 HydrophobicContact CB-CG 4.21Å; N81-Q84 VanDerWaalsContact ND2-CD 3.32Å; N81-Q84 WeakPolarHBondContact ND2-CG 3.49Å; N81-Q84 PolarHBondContact O-N 3.2Å; N81-Q84 PolarHBondContact OD1-N 2.67Å; N81-Q84 VanDerWaalsContact OD1-N 3.08Å; Q84-R88 WeakPolarHBondContact O-CB 3.48Å; Q84-R88 PolarHBondContact O-N 3.46Å
85V93.5Very high92.1Very high9 Ų975.8 Ų75.86%0.05537%0.366CS..Hα-helixtrans-64-49.1178.3173.50000111P12 F77 L79 N81 E83 R88 M89P12-V85 HydrophobicContact CB-CG1 4.06Å; P12-V85 HydrophobicContact CG-CG1 3.58Å; F77-V85 HydrophobicContact CE1-CG2 4.24Å; F77-V85 HydrophobicContact CE2-CG2 4.4Å; F77-V85 HydrophobicContact CZ-CB 4.34Å; F77-V85 HydrophobicContact CZ-CG2 3.68Å; L79-V85 HydrophobicContact CD2-CG2 4.08Å; N81-V85 VanDerWaalsContact O-CG2 3.27Å; N81-V85 WeakPolarHBondContact O-CG2 3.14Å; N81-V85 PolarHBondContact O-N 2.72Å; E83-V85 VanDerWaalsContact C-N 3.3Å; E83-V85 PolarHBondContact O-N 3.11Å; V85-R88 PolarHBondContact O-N 3.29Å; V85-M89 HydrophobicContact CG1-CE 3.99Å; V85-M89 HydrophobicContact CG1-SD 4.32Å; V85-M89 WeakPolarHBondContact O-CG 3.25Å; V85-M89 PolarHBondContact O-N 2.89Å
86S94.4Very high93Very high69 Ų6972.4 Ų72.448%0.48334%0.344SS..Hα-helixtrans-59.8-47.8177.5-177.10000111.9K82 E83 R88 M89 K90K82-S86 VanDerWaalsContact O-CB 3.26Å; K82-S86 WeakPolarHBondContact O-CB 3.4Å; K82-S86 PolarHBondContact O-N 3.17Å; E83-S86 PolarHBondContact O-N 2.82Å; S86-R88 VanDerWaalsContact C-N 3.3Å; S86-R88 PolarHBondContact O-N 2.6Å; S86-M89 PolarHBondContact O-N 2.74Å; S86-K90 WeakPolarHBondContact O-CB 3.32Å; S86-K90 PolarHBondContact O-N 3.47Å
87K94.6Very high93.8Very high149 Ų14966.9 Ų66.965%0.64832%0.321SS*.Hα-helixtrans-60.7-39.4177.7-172.4174-177.2174.90112.1E83 G91E83-K87 WeakPolarHBondContact O-CB 3.12Å; E83-K87 PolarHBondContact O-N 3.42Å; K87-G91 PolarHBondContact O-N 2.74Å
88R95.6Very high94.3Very high14 Ų1469.6 Ų69.65%0.05334%0.337CS..Hα-helixtrans-66.8-47.8175.9-179.2171-81.3-179.3-0.6111.5Y26 P71 F77 Q84 V85 S86 K90 G91 L92Y26-R88 WeakPolarHBondContact OH-CD 3.5Å; P71-R88 HydrophobicContact CG-CG 4.28Å; F77-R88 VanDerWaalsContact CD2-CZ 3.44Å; F77-R88 HydrophobicContact CE2-CB 4.15Å; F77-R88 HydrophobicContact CZ-CB 4.43Å; Q84-R88 WeakPolarHBondContact O-CB 3.48Å; Q84-R88 PolarHBondContact O-N 3.46Å; V85-R88 PolarHBondContact O-N 3.29Å; S86-R88 VanDerWaalsContact C-N 3.3Å; S86-R88 PolarHBondContact O-N 2.6Å; R88-K90 PolarHBondContact O-N 2.69Å; R88-G91 PolarHBondContact O-N 3.4Å; R88-L92 HydrophobicContact CG-CD1 4.16Å; R88-L92 HydrophobicContact CG-CG 4.37Å; R88-L92 VanDerWaalsContact O-CG 3.3Å; R88-L92 WeakPolarHBondContact O-CG 3.17Å; R88-L92 PolarHBondContact O-N 2.8Å
89M97.1Very high94.9Very high35 Ų3567.4 Ų67.417%0.17232%0.322CS..Hα-helixtrans-58.4-47.4178.1-70.9-175.3-5400111.5V9 P12 Y26 V85 S86 G91 L92 E93V9-M89 HydrophobicContact CG1-CB 4.31Å; V9-M89 HydrophobicContact CG1-CG 4.3Å; P12-M89 HydrophobicContact CB-SD 4.42Å; P12-M89 HydrophobicContact CG-SD 4.08Å; Y26-M89 HydrophobicContact CD1-CG 3.55Å; Y26-M89 HydrophobicContact CD1-SD 4.09Å; Y26-M89 HydrophobicContact CE1-CG 3.68Å; Y26-M89 HydrophobicContact CE1-SD 4.4Å; V85-M89 HydrophobicContact CG1-CE 3.99Å; V85-M89 HydrophobicContact CG1-SD 4.32Å; V85-M89 WeakPolarHBondContact O-CG 3.25Å; V85-M89 PolarHBondContact O-N 2.89Å; S86-M89 PolarHBondContact O-N 2.74Å; M89-G91 PolarHBondContact O-N 2.78Å; M89-L92 PolarHBondContact O-N 2.92Å; M89-L92 VanDerWaalsContact O-N 3.15Å; M89-E93 PolarHBondContact O-N 3.49Å
90K97.3Very high95.2Very high121 Ų12165.5 Ų65.553%0.52631%0.311SS..Hα-helixtrans-57.9-45.4176-166.8178.2-167.2-920112.4S86 R88 L92 E93 E94S86-K90 WeakPolarHBondContact O-CB 3.32Å; S86-K90 PolarHBondContact O-N 3.47Å; R88-K90 PolarHBondContact O-N 2.69Å; K90-L92 VanDerWaalsContact C-N 3.33Å; K90-L92 PolarHBondContact O-N 2.76Å; K90-E93 WeakPolarHBondContact O-CB 3.47Å; K90-E93 PolarHBondContact O-N 3.27Å; K90-E94 IonicContact NZ-OE1 3.25Å; K90-E94 PolarHBondContact NZ-OE1 3.05Å; K90-E94 WeakPolarHBondContact O-CB 3.29Å; K90-E94 WeakPolarHBondContact O-CG 3.43Å; K90-E94 PolarHBondContact O-N 3.48Å
91G97.8Very high95.4Very high9 Ų963.7 Ų63.79%0.09331%0.306CS..Hα-helixtrans-66.2-32.3177.600000113.7K87 R88 M89 F95K87-G91 PolarHBondContact O-N 2.74Å; R88-G91 PolarHBondContact O-N 3.4Å; M89-G91 PolarHBondContact O-N 2.78Å; G91-F95 WeakPolarHBondContact O-CB 3.28Å; G91-F95 PolarHBondContact O-N 3.07Å
92L98.3Very high95.4Very high0 Ų062.6 Ų62.60%030%0.3CS..Hα-helixtrans-71.1-37.1174-67.6177.2000111.8V9 Y26 Y48 F51 L70 P71 R88 M89 K90 L96V9-L92 HydrophobicContact CG1-CB 4.17Å; V9-L92 HydrophobicContact CG1-CD1 4.3Å; V9-L92 HydrophobicContact CG2-CB 4.19Å; Y26-L92 HydrophobicContact CD2-CD1 3.7Å; Y26-L92 HydrophobicContact CE2-CD1 3.86Å; Y26-L92 HydrophobicContact CG-CD1 4.18Å; Y48-L92 HydrophobicContact CD2-CD2 4.15Å; F51-L92 HydrophobicContact CB-CD2 4.02Å; F51-L92 HydrophobicContact CD1-CD2 3.77Å; F51-L92 HydrophobicContact CD2-CD1 4.25Å; F51-L92 HydrophobicContact CD2-CD2 3.91Å; F51-L92 HydrophobicContact CE1-CB 4.16Å; F51-L92 HydrophobicContact CE1-CD2 4.1Å; F51-L92 HydrophobicContact CE2-CD1 4.05Å; F51-L92 HydrophobicContact CE2-CD2 4.25Å; F51-L92 HydrophobicContact CG-CD2 3.65Å; F51-L92 HydrophobicContact CZ-CB 4.12Å; F51-L92 HydrophobicContact CZ-CD1 4.4Å; F51-L92 HydrophobicContact CZ-CD2 4.33Å; L70-L92 HydrophobicContact CD2-CD2 3.92Å; P71-L92 HydrophobicContact CG-CD2 3.89Å; P71-L92 HydrophobicContact CG-CG 4.03Å; R88-L92 HydrophobicContact CG-CD1 4.16Å; R88-L92 HydrophobicContact CG-CG 4.37Å; R88-L92 VanDerWaalsContact O-CG 3.3Å; R88-L92 WeakPolarHBondContact O-CG 3.17Å; R88-L92 PolarHBondContact O-N 2.8Å; M89-L92 PolarHBondContact O-N 2.92Å; M89-L92 VanDerWaalsContact O-N 3.15Å; K90-L92 VanDerWaalsContact C-N 3.33Å; K90-L92 PolarHBondContact O-N 2.76Å; L92-L96 PolarHBondContact O-N 3.3Å
93E98.4Very high95.3Very high53 Ų5358.7 Ų58.725%0.24829%0.293CS..Hα-helixtrans-64.5-53.1173.8-171170.9101.400111V7 C8 V9 M89 K90 F95 L96 E97V7-E93 HydrophobicContact CG1-CG 4.43Å; C8-E93 WeakPolarHBondContact CA-OE2 3.41Å; V9-E93 HydrophobicContact CB-CB 4.32Å; V9-E93 HydrophobicContact CG2-CB 4.02Å; V9-E93 PolarHBondContact N-OE2 3.47Å; M89-E93 PolarHBondContact O-N 3.49Å; K90-E93 WeakPolarHBondContact O-CB 3.47Å; K90-E93 PolarHBondContact O-N 3.27Å; E93-F95 PolarHBondContact O-N 3.26Å; E93-L96 PolarHBondContact O-N 3.03Å; E93-E97 WeakPolarHBondContact O-CG 3.49Å; E93-E97 PolarHBondContact O-N 3.23Å
94E97.9Very high95.2Very high77 Ų7756.9 Ų56.936%0.3629%0.288SS..Hα-helixtrans-56.9-38.1176.2-73170.9-178.400111.7K90 N98K90-E94 IonicContact NZ-OE1 3.25Å; K90-E94 PolarHBondContact NZ-OE1 3.05Å; K90-E94 WeakPolarHBondContact O-CB 3.29Å; K90-E94 WeakPolarHBondContact O-CG 3.43Å; K90-E94 PolarHBondContact O-N 3.48Å; E94-N98 WeakPolarHBondContact O-CB 3.49Å; E94-N98 VanDerWaalsContact O-CG 3.31Å; E94-N98 PolarHBondContact O-N 3.47Å; E94-N98 PolarHBondContact O-ND2 3.27Å
95F97.8Very high95.3Very high2 Ų254.4 Ų54.41%0.00928%0.276CS..Hα-helixtrans-57.8-49.1173.7167.9-94.2000111.6F51 L54 R55 L58 P68 L70 G91 E93 N98 V99F51-F95 AromaticContact CD1-CD1 3.87Å; F51-F95 HydrophobicContact CD1-CD1 3.87Å; F51-F95 HydrophobicContact CD1-CE1 4.05Å; F51-F95 HydrophobicContact CE1-CD1 4.19Å; L54-F95 HydrophobicContact CD2-CE1 4.13Å; R55-F95 HydrophobicContact CB-CE2 4.07Å; R55-F95 HydrophobicContact CB-CZ 4.01Å; R55-F95 HydrophobicContact CG-CE2 4.05Å; R55-F95 HydrophobicContact CG-CZ 4.44Å; L58-F95 HydrophobicContact CD1-CZ 4.39Å; P68-F95 HydrophobicContact CB-CD2 3.81Å; P68-F95 HydrophobicContact CB-CE2 4.3Å; P68-F95 WeakPolarHBondContact O-CD2 3.29Å; L70-F95 HydrophobicContact CD2-CB 4.08Å; L70-F95 HydrophobicContact CD2-CD1 3.86Å; L70-F95 HydrophobicContact CD2-CD2 3.65Å; L70-F95 HydrophobicContact CD2-CE1 4.22Å; L70-F95 HydrophobicContact CD2-CE2 4.04Å; L70-F95 HydrophobicContact CD2-CG 3.57Å; L70-F95 HydrophobicContact CD2-CZ 4.31Å; L70-F95 HydrophobicContact CG-CD2 3.99Å; L70-F95 HydrophobicContact CG-CE2 4.16Å; L70-F95 HydrophobicContact CG-CG 4.41Å; G91-F95 WeakPolarHBondContact O-CB 3.28Å; G91-F95 PolarHBondContact O-N 3.07Å; E93-F95 PolarHBondContact O-N 3.26Å; F95-N98 PolarHBondContact O-N 2.9Å; F95-V99 HydrophobicContact CD1-CG2 4.49Å; F95-V99 HydrophobicContact CE1-CG2 4.07Å; F95-V99 HydrophobicContact CE2-CG2 4.16Å; F95-V99 HydrophobicContact CZ-CG2 3.89Å; F95-V99 VanDerWaalsContact O-CG2 3.32Å; F95-V99 WeakPolarHBondContact O-CG2 3.5Å; F95-V99 PolarHBondContact O-N 3.16Å
96L98.1Very high95.3Very high0 Ų054.9 Ų54.90%028%0.278CS..Hα-helixtrans-67.9-42.9-179.6-68.7175.9000112.2V7 V9 I28 F51 L54 L92 E93 N98 V99 F100 L115V7-L96 HydrophobicContact CG1-CB 4.01Å; V7-L96 HydrophobicContact CG2-CB 4.47Å; V7-L96 HydrophobicContact CG2-CD1 3.77Å; V9-L96 HydrophobicContact CG2-CD1 4.38Å; I28-L96 HydrophobicContact CD1-CD1 4.31Å; I28-L96 HydrophobicContact CG2-CD1 3.95Å; F51-L96 HydrophobicContact CE1-CD1 3.85Å; F51-L96 HydrophobicContact CE1-CD2 4.03Å; F51-L96 HydrophobicContact CE1-CG 3.86Å; F51-L96 HydrophobicContact CZ-CD1 4.1Å; L54-L96 HydrophobicContact CD2-CD2 4.45Å; L92-L96 PolarHBondContact O-N 3.3Å; E93-L96 PolarHBondContact O-N 3.03Å; L96-N98 VanDerWaalsContact C-N 3.27Å; L96-N98 PolarHBondContact O-N 3.41Å; L96-V99 WeakPolarHBondContact O-CB 3.37Å; L96-V99 PolarHBondContact O-N 2.89Å; L96-V99 VanDerWaalsContact O-N 3.11Å; L96-F100 HydrophobicContact CB-CE2 4.11Å; L96-F100 HydrophobicContact CB-CZ 4Å; L96-F100 WeakPolarHBondContact O-CD1 3.43Å; L96-F100 VanDerWaalsContact O-CD2 3.29Å; L96-F100 WeakPolarHBondContact O-CD2 3.43Å; L96-F100 WeakPolarHBondContact O-CG 3.38Å; L96-F100 PolarHBondContact O-N 2.92Å; L96-L115 HydrophobicContact CD1-CD2 4.06Å; L96-L115 HydrophobicContact CD2-CD2 4.08Å
97E97.1Very high95.3Very high86 Ų8656 Ų5640%0.40229%0.286SS..Hα-helixtrans-56-44.2176.4-71.4-177.7151.100111.6V7 E93 F100 Q101V7-E97 HydrophobicContact CG1-CG 3.81Å; E93-E97 WeakPolarHBondContact O-CG 3.49Å; E93-E97 PolarHBondContact O-N 3.23Å; E97-F100 PolarHBondContact O-N 2.86Å; E97-Q101 WeakPolarHBondContact O-CG 3.38Å; E97-Q101 PolarHBondContact O-N 2.99Å
98N95.1Very high95.3Very high91 Ų9149.3 Ų49.349%0.48726%0.258SS..Hα-helixtrans-68.8-37176.7-72.6-53.8000112.5P68 E94 F95 L96 F100 Q101P68-N98 HydrophobicContact CB-CB 3.72Å; P68-N98 HydrophobicContact CG-CB 3.39Å; E94-N98 WeakPolarHBondContact O-CB 3.49Å; E94-N98 VanDerWaalsContact O-CG 3.31Å; E94-N98 PolarHBondContact O-N 3.47Å; E94-N98 PolarHBondContact O-ND2 3.27Å; F95-N98 PolarHBondContact O-N 2.9Å; L96-N98 VanDerWaalsContact C-N 3.27Å; L96-N98 PolarHBondContact O-N 3.41Å; N98-F100 VanDerWaalsContact C-N 3.27Å; N98-F100 PolarHBondContact O-N 2.82Å; N98-Q101 PolarHBondContact O-N 3.47Å
99V95.1Very high95.4Very high0 Ų050.5 Ų50.50%027%0.268CS..Hα-helixtrans-59.8-40.1174.2165.90000110.9L58 P68 F95 L96 Q101 N102 L105 L111L58-V99 HydrophobicContact CD1-CG1 4.12Å; L58-V99 HydrophobicContact CD1-CG2 3.98Å; P68-V99 HydrophobicContact CG-CG2 4.08Å; F95-V99 HydrophobicContact CD1-CG2 4.49Å; F95-V99 HydrophobicContact CE1-CG2 4.07Å; F95-V99 HydrophobicContact CE2-CG2 4.16Å; F95-V99 HydrophobicContact CZ-CG2 3.89Å; F95-V99 VanDerWaalsContact O-CG2 3.32Å; F95-V99 WeakPolarHBondContact O-CG2 3.5Å; F95-V99 PolarHBondContact O-N 3.16Å; L96-V99 WeakPolarHBondContact O-CB 3.37Å; L96-V99 PolarHBondContact O-N 2.89Å; L96-V99 VanDerWaalsContact O-N 3.11Å; V99-Q101 PolarHBondContact O-N 3.38Å; V99-N102 PolarHBondContact O-N 2.79Å; V99-L105 HydrophobicContact CB-CD1 4.35Å; V99-L105 HydrophobicContact CG1-CB 3.96Å; V99-L105 HydrophobicContact CG1-CD1 4.15Å; V99-L105 HydrophobicContact CG2-CD1 4.2Å; V99-L111 HydrophobicContact CG1-CD1 4.06Å; V99-L111 HydrophobicContact CG1-CD2 3.62Å
100F94.9Very high95.4Very high16 Ų1651.2 Ų51.27%0.0727%0.269CS..Hα-helixtrans-69.8-17.1-178.9-56.9-25.4000114.3V5 V7 L30 F37 L96 E97 N98 N102 L106 L115V5-F100 HydrophobicContact CB-CD2 4.31Å; V5-F100 HydrophobicContact CG1-CB 4.49Å; V5-F100 HydrophobicContact CG1-CD2 3.5Å; V5-F100 VanDerWaalsContact CG1-CD2 3.5Å; V5-F100 HydrophobicContact CG1-CE2 3.81Å; V5-F100 HydrophobicContact CG1-CG 4.02Å; V7-F100 HydrophobicContact CB-CE2 3.88Å; V7-F100 HydrophobicContact CG1-CD2 4.43Å; V7-F100 HydrophobicContact CG1-CE2 3.75Å; L30-F100 HydrophobicContact CD1-CE2 4.06Å; L30-F100 HydrophobicContact CD1-CZ 4.12Å; F37-F100 HydrophobicContact CE1-CE1 4.3Å; F37-F100 AromaticContact CZ-CD1 3.95Å; F37-F100 HydrophobicContact CZ-CD1 3.95Å; F37-F100 AromaticContact CZ-CE1 3.9Å; F37-F100 HydrophobicContact CZ-CE1 3.9Å; F37-F100 HydrophobicContact CZ-CG 4.48Å; F37-F100 HydrophobicContact CZ-CZ 4.37Å; L96-F100 HydrophobicContact CB-CE2 4.11Å; L96-F100 HydrophobicContact CB-CZ 4Å; L96-F100 WeakPolarHBondContact O-CD1 3.43Å; L96-F100 VanDerWaalsContact O-CD2 3.29Å; L96-F100 WeakPolarHBondContact O-CD2 3.43Å; L96-F100 WeakPolarHBondContact O-CG 3.38Å; L96-F100 PolarHBondContact O-N 2.92Å; E97-F100 PolarHBondContact O-N 2.86Å; N98-F100 VanDerWaalsContact C-N 3.27Å; N98-F100 PolarHBondContact O-N 2.82Å; F100-N102 PolarHBondContact O-N 3.05Å; F100-L106 HydrophobicContact CD1-CD2 3.82Å; F100-L106 WeakPolarHBondContact O-CD1 3.4Å; F100-L115 HydrophobicContact CE1-CD1 3.54Å; F100-L115 HydrophobicContact CZ-CD1 3.67Å; F100-L115 HydrophobicContact CZ-CD2 4.46Å
101Q92.4Very high95.4Very high155 Ų15545.4 Ų45.472%0.72424%0.243SC*.THydrogen-bonded Turntrans-74-11.5174.2-58.4-51.1-51.100113E97 N98 V99E97-Q101 WeakPolarHBondContact O-CG 3.38Å; E97-Q101 PolarHBondContact O-N 2.99Å; N98-Q101 PolarHBondContact O-N 3.47Å; V99-Q101 PolarHBondContact O-N 3.38Å
102N91.4Very high95.5Very high36 Ų3646 Ų4619%0.19324%0.244CC..  trans-112.2109.2-176.3-167.2-36000112I65 V99 F100 L104 L105 L106I65-N102 WeakPolarHBondContact CD1-ND2 3.49Å; I65-N102 WeakPolarHBondContact CG2-ND2 3.36Å; V99-N102 PolarHBondContact O-N 2.79Å; F100-N102 PolarHBondContact O-N 3.05Å; N102-L104 PolarHBondContact O-N 2.91Å; N102-L104 VanDerWaalsContact O-N 3.16Å; N102-L104 WeakPolarHBondContact OD1-CB 3.44Å; N102-L104 PolarHBondContact OD1-N 2.64Å; N102-L105 HydrophobicContact CB-CB 4.3Å; N102-L105 HydrophobicContact CB-CD1 3.91Å; N102-L105 HydrophobicContact CB-CG 3.85Å; N102-L105 PolarHBondContact O-N 3.25Å; N102-L106 PolarHBondContact O-N 3.02Å; N102-L106 VanDerWaalsContact O-N 3.11Å
103P91.1Very high95.5Very high99 Ų9946 Ų4664%0.64324%0.244SC*.Hα-helixtrans-57.7-29.6179.2-26.835.4000114.6L106 S107P103-L106 PolarHBondContact O-N 2.68Å; P103-S107 PolarHBondContact O-N 3.11Å; P103-S107 VanDerWaalsContact O-N 3.12Å
104L90.4Very high95.5Very high116 Ų11643.5 Ų43.561%0.60723%0.232SC*.Hα-helixtrans-68.4-39.3177.7-67.6172.6000111.1I65 N102 L106 S107I65-L104 HydrophobicContact CD1-CB 4.06Å; I65-L104 HydrophobicContact CD1-CD1 3.75Å; N102-L104 PolarHBondContact O-N 2.91Å; N102-L104 VanDerWaalsContact O-N 3.16Å; N102-L104 WeakPolarHBondContact OD1-CB 3.44Å; N102-L104 PolarHBondContact OD1-N 2.64Å; L104-L106 VanDerWaalsContact C-N 3.35Å; L104-S107 WeakPolarHBondContact O-CB 3.24Å; L104-S107 PolarHBondContact O-N 3.47Å; L104-S107 PolarHBondContact O-OG 2.98Å
105L93Very high95.5Very high5 Ų539.8 Ų39.83%0.02622%0.215CC..Hα-helixtrans-69.6-36.7175.4-54.8-176.6000111.2L58 A62 L67 V99 N102 S107 D108 L111L58-L105 HydrophobicContact CB-CD2 4.23Å; L58-L105 HydrophobicContact CD2-CB 4.32Å; L58-L105 HydrophobicContact CD2-CD2 4.26Å; A62-L105 HydrophobicContact CB-CD2 3.93Å; L67-L105 HydrophobicContact CD2-CD1 3.76Å; L67-L105 HydrophobicContact CD2-CD2 3.8Å; L67-L105 HydrophobicContact CD2-CG 4.45Å; V99-L105 HydrophobicContact CB-CD1 4.35Å; V99-L105 HydrophobicContact CG1-CB 3.96Å; V99-L105 HydrophobicContact CG1-CD1 4.15Å; V99-L105 HydrophobicContact CG2-CD1 4.2Å; N102-L105 HydrophobicContact CB-CB 4.3Å; N102-L105 HydrophobicContact CB-CD1 3.91Å; N102-L105 HydrophobicContact CB-CG 3.85Å; N102-L105 PolarHBondContact O-N 3.25Å; L105-S107 PolarHBondContact O-N 3.35Å; L105-D108 WeakPolarHBondContact O-CB 3.38Å; L105-D108 PolarHBondContact O-N 3.41Å; L105-D108 VanDerWaalsContact O-N 3.15Å; L105-L111 WeakPolarHBondContact O-CD2 3.43Å
106L94.1Very high95.5Very high20 Ų2039.7 Ų39.711%0.10521%0.214CC..Hα-helixtrans-64.7-17173.1-71.8176.9000113.7C36 F37 F100 N102 P103 L104 D108 L111 H112C36-L106 HydrophobicContact CB-CD1 4.45Å; F37-L106 HydrophobicContact CE1-CD2 4.43Å; F37-L106 HydrophobicContact CE2-CD2 3.98Å; F37-L106 HydrophobicContact CZ-CD2 3.58Å; F100-L106 HydrophobicContact CD1-CD2 3.82Å; F100-L106 WeakPolarHBondContact O-CD1 3.4Å; N102-L106 PolarHBondContact O-N 3.02Å; N102-L106 VanDerWaalsContact O-N 3.11Å; P103-L106 PolarHBondContact O-N 2.68Å; L104-L106 VanDerWaalsContact C-N 3.35Å; L106-D108 VanDerWaalsContact C-N 3.31Å; L106-L111 HydrophobicContact CD2-CD2 4.17Å; L106-H112 PolarHBondContact O-NE2 3.07Å
107S93.7Very high95.4Very high93 Ų9339.8 Ų39.865%0.6522%0.215SC*.THydrogen-bonded Turntrans-79-13.1174.977.10000113.6P103 L104 L105 S109P103-S107 PolarHBondContact O-N 3.11Å; P103-S107 VanDerWaalsContact O-N 3.12Å; L104-S107 WeakPolarHBondContact O-CB 3.24Å; L104-S107 PolarHBondContact O-N 3.47Å; L104-S107 PolarHBondContact O-OG 2.98Å; L105-S107 PolarHBondContact O-N 3.35Å; S107-S109 PolarHBondContact O-N 3.35Å
108D95.4Very high95.3Very high8 Ų840 Ų404%0.04322%0.218CC..  trans-77.2117.4-177.5-164.7-35.8000111.9L58 N61 L105 L106 R110 L111 H112L58-D108 HydrophobicContact CD2-CB 3.98Å; N61-D108 PolarHBondContact ND2-OD2 3.49Å; L105-D108 WeakPolarHBondContact O-CB 3.38Å; L105-D108 PolarHBondContact O-N 3.41Å; L105-D108 VanDerWaalsContact O-N 3.15Å; L106-D108 VanDerWaalsContact C-N 3.31Å; D108-R110 PolarHBondContact O-N 3.37Å; D108-R110 VanDerWaalsContact OD1-CB 3.23Å; D108-R110 WeakPolarHBondContact OD1-CB 3.42Å; D108-R110 IonicContact OD1-CZ 3.93Å; D108-R110 PolarHBondContact OD1-N 3.45Å; D108-R110 IonicContact OD1-NE 3.08Å; D108-R110 PolarHBondContact OD1-NE 3.25Å; D108-R110 VanDerWaalsContact OD1-NE 3.08Å; D108-R110 IonicContact OD1-NH2 3.85Å; D108-R110 IonicContact OD2-CZ 3.41Å; D108-R110 IonicContact OD2-NE 3.26Å; D108-R110 PolarHBondContact OD2-NE 2.91Å; D108-R110 IonicContact OD2-NH2 2.73Å; D108-R110 PolarHBondContact OD2-NH2 3.29Å; D108-L111 HydrophobicContact CB-CB 4.46Å; D108-L111 WeakPolarHBondContact O-CB 3.44Å; D108-L111 PolarHBondContact O-N 2.96Å; D108-L111 VanDerWaalsContact O-N 3.14Å; D108-H112 PolarHBondContact O-CD2 3.01Å
109S97.3Very high95.3Very high38 Ų3836.6 Ų36.627%0.26620%0.201SC..Hα-helixtrans-58.8-29.3177.365.20000114.1S107 L111 H112 L113S107-S109 PolarHBondContact O-N 3.35Å; S109-L111 VanDerWaalsContact C-N 3.33Å; S109-L111 PolarHBondContact O-N 2.75Å; S109-H112 PolarHBondContact O-N 3.33Å; S109-L113 WeakPolarHBondContact O-CG 3.36Å; S109-L113 PolarHBondContact O-N 3.23Å
110R97.6Very high95.4Very high50 Ų5039.7 Ų39.719%0.18922%0.222CC..Hα-helixtrans-66.7-35.6178.6-65.8171.3-70.5-171.3-0.5111.5W53 C57 N61 D108 F114 I124 A128W53-R110 HydrophobicContact CH2-CB 3.96Å; W53-R110 HydrophobicContact CH2-CG 4.25Å; C57-R110 PolarHBondContact O-NH2 2.56Å; N61-R110 PolarHBondContact ND2-NH2 2.72Å; N61-R110 PolarHBondContact OD1-NH2 2.96Å; D108-R110 PolarHBondContact O-N 3.37Å; D108-R110 VanDerWaalsContact OD1-CB 3.23Å; D108-R110 WeakPolarHBondContact OD1-CB 3.42Å; D108-R110 IonicContact OD1-CZ 3.93Å; D108-R110 PolarHBondContact OD1-N 3.45Å; D108-R110 IonicContact OD1-NE 3.08Å; D108-R110 PolarHBondContact OD1-NE 3.25Å; D108-R110 VanDerWaalsContact OD1-NE 3.08Å; D108-R110 IonicContact OD1-NH2 3.85Å; D108-R110 IonicContact OD2-CZ 3.41Å; D108-R110 IonicContact OD2-NE 3.26Å; D108-R110 PolarHBondContact OD2-NE 2.91Å; D108-R110 IonicContact OD2-NH2 2.73Å; D108-R110 PolarHBondContact OD2-NH2 3.29Å; R110-F114 WeakPolarHBondContact O-CB 3.3Å; R110-F114 PolarHBondContact O-N 3.34Å; R110-I124 HydrophobicContact CB-CG2 4.11Å; R110-I124 HydrophobicContact CG-CG2 4.11Å; R110-A128 HydrophobicContact CG-CB 3.62Å
111L97.8Very high95.5Very high0 Ų040.2 Ų40.20%023%0.225CC..Hα-helixtrans-62.3-46.217417864.3000110.7L54 V99 L105 L106 D108 S109 F114 L115L54-L111 HydrophobicContact CD1-CB 4.37Å; L54-L111 HydrophobicContact CD1-CD1 4.16Å; L54-L111 HydrophobicContact CD2-CD1 3.89Å; V99-L111 HydrophobicContact CG1-CD1 4.06Å; V99-L111 HydrophobicContact CG1-CD2 3.62Å; L105-L111 WeakPolarHBondContact O-CD2 3.43Å; L106-L111 HydrophobicContact CD2-CD2 4.17Å; D108-L111 HydrophobicContact CB-CB 4.46Å; D108-L111 WeakPolarHBondContact O-CB 3.44Å; D108-L111 PolarHBondContact O-N 2.96Å; D108-L111 VanDerWaalsContact O-N 3.14Å; S109-L111 VanDerWaalsContact C-N 3.33Å; S109-L111 PolarHBondContact O-N 2.75Å; L111-F114 WeakPolarHBondContact O-CB 3.3Å; L111-F114 PolarHBondContact O-N 2.9Å; L111-L115 HydrophobicContact CD1-CD1 3.74Å; L111-L115 HydrophobicContact CD1-CG 4.25Å; L111-L115 HydrophobicContact CG-CD1 3.92Å; L111-L115 VanDerWaalsContact O-CG 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 3.16Å
112H98.1Very high95.7Very high21 Ų2141.7 Ų41.710%0.09722%0.224CC..Hα-helixtrans-65.1-43.6178.8-69.8-68.8000112.5C36 F37 L106 D108 S109 F114 L115 Q116 I140C36-H112 PolarHBondContact O-CE1 2.8Å; F37-H112 AromaticContact CD1-CE1 3.82Å; F37-H112 AromaticContact CD1-ND1 3.65Å; F37-H112 AromaticContact CE1-CE1 3.96Å; F37-H112 AromaticContact CE1-ND1 3.99Å; L106-H112 PolarHBondContact O-NE2 3.07Å; D108-H112 PolarHBondContact O-CD2 3.01Å; S109-H112 PolarHBondContact O-N 3.33Å; H112-F114 VanDerWaalsContact C-N 3.31Å; H112-F114 PolarHBondContact O-N 2.8Å; H112-L115 PolarHBondContact O-N 2.97Å; H112-Q116 WeakPolarHBondContact O-CA 3.45Å; H112-Q116 VanDerWaalsContact O-CB 3.27Å; H112-Q116 WeakPolarHBondContact O-CB 3.2Å; H112-Q116 WeakPolarHBondContact O-CG 3.48Å; H112-Q116 PolarHBondContact O-N 3.18Å; H112-I140 HydrophobicContact CB-CD1 3.87Å
113L98.3Very high95.9Very high0 Ų043.9 Ų43.90%023%0.23CC..Hα-helixtrans-62.8-39.7174.3-71.7172.4000111.8R46 S109 L115 S117 L119 I124 C127 V136 A139 I140R46-L113 PolarHBondContact NH2-O 2.89Å; S109-L113 WeakPolarHBondContact O-CG 3.36Å; S109-L113 PolarHBondContact O-N 3.23Å; L113-L115 PolarHBondContact O-N 2.9Å; L113-S117 WeakPolarHBondContact O-CB 3.29Å; L113-S117 PolarHBondContact O-N 3.06Å; L113-S117 PolarHBondContact O-OG 3.26Å; L113-L119 HydrophobicContact CD2-CD1 4.14Å; L113-I124 HydrophobicContact CB-CB 4.4Å; L113-I124 HydrophobicContact CB-CD1 4.24Å; L113-I124 HydrophobicContact CB-CG1 4Å; L113-I124 HydrophobicContact CB-CG2 3.74Å; L113-I124 HydrophobicContact CD1-CB 4.44Å; L113-I124 HydrophobicContact CD1-CG2 3.8Å; L113-I124 HydrophobicContact CG-CG2 4.43Å; L113-C127 HydrophobicContact CD1-CB 3.91Å; L113-V136 HydrophobicContact CD1-CG1 4.44Å; L113-V136 HydrophobicContact CD1-CG2 4.18Å; L113-V136 HydrophobicContact CD2-CG1 4Å; L113-V136 HydrophobicContact CG-CG1 3.98Å; L113-A139 HydrophobicContact CD2-CB 3.78Å; L113-I140 HydrophobicContact CD2-CG1 4.08Å
114F98.4Very high96.3Very high0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-61.1-43.4177.4178.8-86000112I28 V44 R46 D50 F51 W53 L54 R110 L111 H112 I121 I124I28-F114 HydrophobicContact CD1-CD1 4.36Å; I28-F114 HydrophobicContact CD1-CE1 3.54Å; I28-F114 HydrophobicContact CD1-CZ 4.17Å; V44-F114 WeakPolarHBondContact CG2-O 3.49Å; R46-F114 HydrophobicContact CB-CE1 4.33Å; R46-F114 HydrophobicContact CB-CE2 4.12Å; R46-F114 HydrophobicContact CB-CZ 3.71Å; R46-F114 HydrophobicContact CG-CD1 4.31Å; R46-F114 HydrophobicContact CG-CD2 4.27Å; R46-F114 HydrophobicContact CG-CE1 3.82Å; R46-F114 HydrophobicContact CG-CE2 3.78Å; R46-F114 HydrophobicContact CG-CZ 3.53Å; R46-F114 PolarHBondContact NE-O 2.96Å; R46-F114 PolarHBondContact NH2-O 3.45Å; D50-F114 HydrophobicContact CB-CE2 3.71Å; D50-F114 HydrophobicContact CB-CZ 4.46Å; D50-F114 WeakPolarHBondContact O-CE2 3.38Å; F51-F114 HydrophobicContact CD1-CE1 4.42Å; F51-F114 HydrophobicContact CD1-CZ 4.07Å; F51-F114 AromaticContact CD2-CZ 3.83Å; F51-F114 HydrophobicContact CD2-CZ 3.83Å; F51-F114 HydrophobicContact CE1-CE1 4.15Å; F51-F114 HydrophobicContact CE1-CZ 4.15Å; F51-F114 HydrophobicContact CE2-CE1 4.38Å; F51-F114 AromaticContact CE2-CZ 3.91Å; F51-F114 HydrophobicContact CE2-CZ 3.91Å; F51-F114 AromaticContact CG-CZ 3.92Å; F51-F114 HydrophobicContact CG-CZ 3.92Å; F51-F114 HydrophobicContact CZ-CE1 4.13Å; F51-F114 HydrophobicContact CZ-CZ 4.08Å; W53-F114 HydrophobicContact CE3-CD2 4.49Å; W53-F114 HydrophobicContact CZ3-CD2 4.26Å; L54-F114 HydrophobicContact CB-CD2 4.17Å; L54-F114 HydrophobicContact CB-CE2 4.11Å; L54-F114 HydrophobicContact CD1-CB 4.39Å; L54-F114 HydrophobicContact CD1-CG 4.47Å; L54-F114 HydrophobicContact CD2-CD1 3.67Å; L54-F114 HydrophobicContact CD2-CD2 4.16Å; L54-F114 HydrophobicContact CD2-CE1 3.74Å; L54-F114 HydrophobicContact CD2-CE2 4.2Å; L54-F114 HydrophobicContact CD2-CG 3.88Å; L54-F114 HydrophobicContact CD2-CZ 4.01Å; R110-F114 WeakPolarHBondContact O-CB 3.3Å; R110-F114 PolarHBondContact O-N 3.34Å; L111-F114 WeakPolarHBondContact O-CB 3.3Å; L111-F114 PolarHBondContact O-N 2.9Å; H112-F114 VanDerWaalsContact C-N 3.31Å; H112-F114 PolarHBondContact O-N 2.8Å; F114-I121 HydrophobicContact CD2-CD1 4.4Å; F114-I124 HydrophobicContact CB-CD1 4.45Å
115L98.1Very high96.6Very high0 Ų037.7 Ų37.70%019%0.189CC..Hα-helixtrans-86.4-26.1-175.4-66.6170.7000114.7I28 F37 S42 V44 L96 F100 L111 H112 L113I28-L115 HydrophobicContact CD1-CD2 4.44Å; I28-L115 HydrophobicContact CG2-CD2 4.05Å; F37-L115 HydrophobicContact CE1-CD1 3.94Å; S42-L115 WeakPolarHBondContact CB-O 3.42Å; S42-L115 PolarHBondContact OG-O 2.82Å; V44-L115 WeakPolarHBondContact CG1-O 3.49Å; V44-L115 WeakPolarHBondContact CG2-O 3.34Å; L96-L115 HydrophobicContact CD1-CD2 4.06Å; L96-L115 HydrophobicContact CD2-CD2 4.08Å; F100-L115 HydrophobicContact CE1-CD1 3.54Å; F100-L115 HydrophobicContact CZ-CD1 3.67Å; F100-L115 HydrophobicContact CZ-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CD1 3.74Å; L111-L115 HydrophobicContact CD1-CG 4.25Å; L111-L115 HydrophobicContact CG-CD1 3.92Å; L111-L115 VanDerWaalsContact O-CG 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 3.16Å; H112-L115 PolarHBondContact O-N 2.97Å; L113-L115 PolarHBondContact O-N 2.9Å
116Q97.9Very high96.8Very high0 Ų041.8 Ų41.80%020%0.204CC..Hα-helixtrans-1256.1-167.8-45.3-159.6-69.500113.9L30 R38 K39 H112 I140 S143L30-Q116 HydrophobicContact CD2-CG 4.3Å; R38-Q116 VanDerWaalsContact N-OE1 3.08Å; K39-Q116 PolarHBondContact O-NE2 3.3Å; H112-Q116 WeakPolarHBondContact O-CA 3.45Å; H112-Q116 VanDerWaalsContact O-CB 3.27Å; H112-Q116 WeakPolarHBondContact O-CB 3.2Å; H112-Q116 WeakPolarHBondContact O-CG 3.48Å; H112-Q116 PolarHBondContact O-N 3.18Å; Q116-I140 HydrophobicContact CB-CB 4.43Å; Q116-I140 HydrophobicContact CB-CD1 4.39Å; Q116-I140 HydrophobicContact CB-CG1 4.12Å; Q116-I140 HydrophobicContact CB-CG2 3.56Å; Q116-S143 WeakPolarHBondContact O-CB 3.26Å; Q116-S143 PolarHBondContact O-OG 3.48Å
117S97.1Very high97Very high1 Ų141.2 Ų41.21%0.00720%0.201CC..  trans-134.3155.1174.782.10000113.1R46 L113 L119R46-S117 PolarHBondContact NH2-O 2.76Å; L113-S117 WeakPolarHBondContact O-CB 3.29Å; L113-S117 PolarHBondContact O-N 3.06Å; L113-S117 PolarHBondContact O-OG 3.26Å; S117-L119 PolarHBondContact O-N 2.96Å; S117-L119 WeakPolarHBondContact OG-CG 3.38Å; S117-L119 PolarHBondContact OG-N 3.3Å
118D94.6Very high97Very high90 Ų9038.4 Ų38.448%0.48118%0.184SC..  trans-86.712.5174.7-56.7-51.5000112.4R144D118-R144 PolarHBondContact OD2-N 3.4Å
119L95.8Very high97.1Very high21 Ų2143.7 Ų43.711%0.1121%0.212CC..  trans-65.8140.6-178.8-65.4-173.3000111.2R46 L113 S117 R123 I124 Y134 A139R46-L119 PolarHBondContact NH1-O 3.47Å; R46-L119 PolarHBondContact NH2-O 2.69Å; R46-L119 VanDerWaalsContact NH2-O 3.07Å; L113-L119 HydrophobicContact CD2-CD1 4.14Å; S117-L119 PolarHBondContact O-N 2.96Å; S117-L119 WeakPolarHBondContact OG-CG 3.38Å; S117-L119 PolarHBondContact OG-N 3.3Å; L119-R123 HydrophobicContact CB-CB 4.1Å; L119-R123 HydrophobicContact CD1-CB 4.43Å; L119-R123 HydrophobicContact CD2-CB 4.25Å; L119-I124 HydrophobicContact CB-CG1 3.73Å; L119-Y134 HydrophobicContact CD1-CE2 3.94Å; L119-Y134 WeakPolarHBondContact CD2-OH 3.33Å; L119-A139 HydrophobicContact CD1-CB 3.93Å
120S95.4Very high97Very high64 Ų6445 Ų4545%0.44823%0.231SC..  trans-66.3155.9167.367.50000111R122 R123 I124S120-R122 VanDerWaalsContact C-N 3.28Å; S120-R122 PolarHBondContact O-N 3.03Å; S120-R123 WeakPolarHBondContact O-CA 3.48Å; S120-R123 WeakPolarHBondContact O-CB 3.31Å; S120-R123 PolarHBondContact O-N 2.91Å; S120-I124 WeakPolarHBondContact O-CG1 3.41Å; S120-I124 PolarHBondContact O-N 2.87Å
121I97.1Very high97Very high27 Ų2748.6 Ų48.614%0.13825%0.248CC..Hα-helixtrans-50.6-46.7-179.4-66.1-47.8000112.5D50 W53 F114 R123 I124 E125D50-I121 HydrophobicContact CB-CD1 3.95Å; D50-I121 HydrophobicContact CB-CG1 4.21Å; D50-I121 VanDerWaalsContact OD1-CG1 3.22Å; D50-I121 WeakPolarHBondContact OD1-CG1 3.28Å; W53-I121 HydrophobicContact CD2-CD1 3.93Å; W53-I121 HydrophobicContact CD2-CG1 4.36Å; W53-I121 HydrophobicContact CD2-CG2 3.46Å; W53-I121 VanDerWaalsContact CD2-CG2 3.46Å; W53-I121 HydrophobicContact CE3-CD1 3.43Å; W53-I121 VanDerWaalsContact CE3-CD1 3.43Å; W53-I121 HydrophobicContact CE3-CG1 4.33Å; W53-I121 HydrophobicContact CE3-CG2 4.14Å; W53-I121 HydrophobicContact CG-CG2 3.61Å; W53-I121 HydrophobicContact CH2-CD1 4.42Å; W53-I121 HydrophobicContact CZ2-CG2 3.96Å; W53-I121 HydrophobicContact CZ3-CD1 3.73Å; F114-I121 HydrophobicContact CD2-CD1 4.4Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 3Å; I121-I124 HydrophobicContact CD1-CD1 4.17Å; I121-I124 WeakPolarHBondContact O-CB 3.41Å; I121-I124 PolarHBondContact O-N 2.76Å; I121-I124 VanDerWaalsContact O-N 3.08Å; I121-E125 PolarHBondContact O-N 3.05Å
122R96.4Very high96.9Very high186 Ų18650.2 Ų50.270%0.70226%0.258SS*.Hα-helixtrans-57.1-39.6176-175.3-178.7177.8-159.7-1.6112.8S120 R126S120-R122 VanDerWaalsContact C-N 3.28Å; S120-R122 PolarHBondContact O-N 3.03Å; R122-R126 WeakPolarHBondContact O-CG 3.44Å; R122-R126 PolarHBondContact O-N 3.04Å
123R97Very high96.8Very high83 Ų8360 Ų6031%0.31329%0.294SS..Hα-helixtrans-73.5-34177.8-71.2-18072146.14.6111.7L119 S120 I121 C127 Y134 D157L119-R123 HydrophobicContact CB-CB 4.1Å; L119-R123 HydrophobicContact CD1-CB 4.43Å; L119-R123 HydrophobicContact CD2-CB 4.25Å; S120-R123 WeakPolarHBondContact O-CA 3.48Å; S120-R123 WeakPolarHBondContact O-CB 3.31Å; S120-R123 PolarHBondContact O-N 2.91Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 3Å; R123-C127 VanDerWaalsContact O-CB 3.24Å; R123-C127 WeakPolarHBondContact O-CB 3.42Å; R123-C127 PolarHBondContact O-N 3.25Å; R123-Y134 PolarHBondContact NE-OH 3.24Å; R123-Y134 PolarHBondContact NH2-OH 3.25Å; R123-D157 IonicContact CZ-OD2 3.98Å; R123-D157 IonicContact NH1-OD2 3.37Å; R123-D157 PolarHBondContact NH1-OD2 3.4Å; R123-D157 IonicContact NH2-OD2 3.83Å
124I98.1Very high96.6Very high0 Ų062.4 Ų62.40%030%0.303CS..Hα-helixtrans-61.2-49173.3-63.6178000110W53 R110 L113 F114 L119 S120 I121 R126 C127 A128W53-I124 HydrophobicContact CH2-CB 4.14Å; W53-I124 HydrophobicContact CH2-CG2 3.55Å; W53-I124 HydrophobicContact CZ2-CG2 4.3Å; W53-I124 HydrophobicContact CZ3-CG2 4.38Å; R110-I124 HydrophobicContact CB-CG2 4.11Å; R110-I124 HydrophobicContact CG-CG2 4.11Å; L113-I124 HydrophobicContact CB-CB 4.4Å; L113-I124 HydrophobicContact CB-CD1 4.24Å; L113-I124 HydrophobicContact CB-CG1 4Å; L113-I124 HydrophobicContact CB-CG2 3.74Å; L113-I124 HydrophobicContact CD1-CB 4.44Å; L113-I124 HydrophobicContact CD1-CG2 3.8Å; L113-I124 HydrophobicContact CG-CG2 4.43Å; F114-I124 HydrophobicContact CB-CD1 4.45Å; L119-I124 HydrophobicContact CB-CG1 3.73Å; S120-I124 WeakPolarHBondContact O-CG1 3.41Å; S120-I124 PolarHBondContact O-N 2.87Å; I121-I124 HydrophobicContact CD1-CD1 4.17Å; I121-I124 WeakPolarHBondContact O-CB 3.41Å; I121-I124 PolarHBondContact O-N 2.76Å; I121-I124 VanDerWaalsContact O-N 3.08Å; I124-R126 PolarHBondContact O-N 3.15Å; I124-C127 PolarHBondContact O-N 3.1Å; I124-A128 WeakPolarHBondContact O-CB 3.28Å; I124-A128 PolarHBondContact O-N 3.41Å
125E96.7Very high96.6Very high84 Ų8466 Ų6639%0.39333%0.326SS..Hα-helixtrans-58.1-48.8178-70.2178.6153.300112.1W53 I121 C127 A128 L129W53-E125 HydrophobicContact CZ2-CG 3.62Å; W53-E125 PolarHBondContact NE1-OE1 3.07Å; I121-E125 PolarHBondContact O-N 3.05Å; E125-C127 VanDerWaalsContact C-N 3.31Å; E125-C127 PolarHBondContact O-N 2.89Å; E125-A128 PolarHBondContact O-N 2.87Å; E125-L129 WeakPolarHBondContact O-CB 3.2Å; E125-L129 VanDerWaalsContact O-CG 3.29Å; E125-L129 WeakPolarHBondContact O-CG 3.48Å; E125-L129 PolarHBondContact O-N 3.24Å
126R97.8Very high96.5Very high92 Ų9267.9 Ų67.935%0.34734%0.337SS..Hα-helixtrans-59.9-42.7177-71.2-178.665.4900.6111.7R122 I124 L129 G130 K131 T132R122-R126 WeakPolarHBondContact O-CG 3.44Å; R122-R126 PolarHBondContact O-N 3.04Å; I124-R126 PolarHBondContact O-N 3.15Å; R126-L129 PolarHBondContact O-N 2.69Å; R126-G130 PolarHBondContact O-N 3.01Å; R126-K131 HydrophobicContact CB-CB 4.24Å; R126-K131 PolarHBondContact NH2-O 2.83Å; R126-K131 WeakPolarHBondContact O-CA 3.02Å; R126-K131 WeakPolarHBondContact O-CB 3.34Å; R126-K131 PolarHBondContact O-N 3.2Å; R126-T132 HydrophobicContact CB-CG2 3.83Å
127C97.6Very high96.5Very high7 Ų770 Ų705%0.04736%0.355CS..Hα-helixtrans-65.4-43.9179.8-172.80000112L113 R123 I124 E125 L129 G130 T132 Y134L113-C127 HydrophobicContact CD1-CB 3.91Å; R123-C127 VanDerWaalsContact O-CB 3.24Å; R123-C127 WeakPolarHBondContact O-CB 3.42Å; R123-C127 PolarHBondContact O-N 3.25Å; I124-C127 PolarHBondContact O-N 3.1Å; E125-C127 VanDerWaalsContact C-N 3.31Å; E125-C127 PolarHBondContact O-N 2.89Å; C127-L129 VanDerWaalsContact C-N 3.25Å; C127-L129 PolarHBondContact O-N 2.78Å; C127-G130 PolarHBondContact O-N 2.84Å; C127-G130 VanDerWaalsContact O-N 3.09Å; C127-T132 WeakPolarHBondContact CA-OG1 3.39Å; C127-T132 HydrophobicContact CB-CG2 4.08Å; C127-Y134 HydrophobicContact CB-CE2 4.2Å
128A95.4Very high96.4Very high35 Ų3574.3 Ų74.329%0.28938%0.375SS..Hα-helixtrans-64.5-30.7177.500000112.5R110 I124 E125 G130R110-A128 HydrophobicContact CG-CB 3.62Å; I124-A128 WeakPolarHBondContact O-CB 3.28Å; I124-A128 PolarHBondContact O-N 3.41Å; E125-A128 PolarHBondContact O-N 2.87Å; A128-G130 VanDerWaalsContact C-N 3.31Å
129L96Very high96.5Very high118 Ų11870.5 Ų70.562%0.61836%0.355SS*.THydrogen-bonded Turntrans-84.12.2174.9-66.5174.2000114E125 R126 C127 K131E125-L129 WeakPolarHBondContact O-CB 3.2Å; E125-L129 VanDerWaalsContact O-CG 3.29Å; E125-L129 WeakPolarHBondContact O-CG 3.48Å; E125-L129 PolarHBondContact O-N 3.24Å; R126-L129 PolarHBondContact O-N 2.69Å; C127-L129 VanDerWaalsContact C-N 3.25Å; C127-L129 PolarHBondContact O-N 2.78Å; L129-K131 VanDerWaalsContact C-N 3.27Å; L129-K131 HydrophobicContact CB-CD 4.18Å; L129-K131 HydrophobicContact CB-CG 4.04Å; L129-K131 HydrophobicContact CD1-CD 4.39Å; L129-K131 PolarHBondContact O-N 2.87Å
130G96.3Very high96.5Very high65 Ų6569.7 Ų69.767%0.6735%0.351SS*.THydrogen-bonded Turntrans68.621.7-176.300000114.4R126 C127 A128R126-G130 PolarHBondContact O-N 3.01Å; C127-G130 PolarHBondContact O-N 2.84Å; C127-G130 VanDerWaalsContact O-N 3.09Å; A128-G130 VanDerWaalsContact C-N 3.31Å
131K97Very high96.4Very high126 Ų12671.9 Ų71.955%0.54835%0.354SS..  trans-96.220.2-179-61-177.5178.6-1800113.3R126 L129R126-K131 HydrophobicContact CB-CB 4.24Å; R126-K131 PolarHBondContact NH2-O 2.83Å; R126-K131 WeakPolarHBondContact O-CA 3.02Å; R126-K131 WeakPolarHBondContact O-CB 3.34Å; R126-K131 PolarHBondContact O-N 3.2Å; L129-K131 VanDerWaalsContact C-N 3.27Å; L129-K131 HydrophobicContact CB-CD 4.18Å; L129-K131 HydrophobicContact CB-CG 4.04Å; L129-K131 HydrophobicContact CD1-CD 4.39Å; L129-K131 PolarHBondContact O-N 2.87Å
132T95.9Very high96Very high34 Ų3477.2 Ų77.221%0.20938%0.382CS..SBendtrans-119.9159.317649.60000110.1R126 C127 Y134R126-T132 HydrophobicContact CB-CG2 3.83Å; C127-T132 WeakPolarHBondContact CA-OG1 3.39Å; C127-T132 HydrophobicContact CB-CG2 4.08Å; T132-Y134 HydrophobicContact CG2-CE1 4.34Å; T132-Y134 HydrophobicContact CG2-CE2 4.16Å; T132-Y134 PolarHBondContact O-N 3.46Å; T132-Y134 PolarHBondContact OG1-O 2.84Å
133R94.9Very high95.7Very high227 Ų22769.1 Ų69.186%0.85736%0.355SS*.SBendtrans-75.9-11.4175.8-63.2-173.8-178.9-171.40.8114
134Y95.3Very high94.8Very high50 Ų5071.6 Ų71.620%0.19636%0.364CS..SBendtrans-117.2152.1177.954-98.8000110L119 R123 C127 T132 E138 A139L119-Y134 HydrophobicContact CD1-CE2 3.94Å; L119-Y134 WeakPolarHBondContact CD2-OH 3.33Å; R123-Y134 PolarHBondContact NE-OH 3.24Å; R123-Y134 PolarHBondContact NH2-OH 3.25Å; C127-Y134 HydrophobicContact CB-CE2 4.2Å; T132-Y134 HydrophobicContact CG2-CE1 4.34Å; T132-Y134 HydrophobicContact CG2-CE2 4.16Å; T132-Y134 PolarHBondContact O-N 3.46Å; T132-Y134 PolarHBondContact OG1-O 2.84Å; Y134-E138 WeakPolarHBondContact CA-OE2 3.16Å; Y134-A139 HydrophobicContact CD2-CB 3.76Å; Y134-A139 HydrophobicContact CE2-CB 3.81Å
135T97.3Very high93Very high76 Ų7675.1 Ų75.147%0.46639%0.388SS..  trans-82.3167.9174.964.20000111.7A137 E138 A139T135-A137 VanDerWaalsContact C-N 3.27Å; T135-A137 PolarHBondContact O-N 2.87Å; T135-E138 PolarHBondContact N-OE2 2.89Å; T135-E138 PolarHBondContact O-N 3.28Å; T135-E138 WeakPolarHBondContact OG1-CG 3.47Å; T135-E138 PolarHBondContact OG1-N 3.25Å; T135-E138 PolarHBondContact OG1-OE2 2.93Å; T135-A139 WeakPolarHBondContact O-CB 3.45Å; T135-A139 PolarHBondContact O-N 3.44Å
136V97.2Very high90.9Very high39 Ų3973 Ų7324%0.23639%0.389CS..Hα-helixtrans-55.4-44.4172.51750000111.3L113 A139 I140L113-V136 HydrophobicContact CD1-CG1 4.44Å; L113-V136 HydrophobicContact CD1-CG2 4.18Å; L113-V136 HydrophobicContact CD2-CG1 4Å; L113-V136 HydrophobicContact CG-CG1 3.98Å; V136-A139 PolarHBondContact O-N 2.98Å; V136-I140 HydrophobicContact CG1-CD1 3.91Å; V136-I140 WeakPolarHBondContact O-CG1 3.42Å; V136-I140 PolarHBondContact O-N 3.36Å
137A96.7Very high88.1Confident45 Ų4576.7 Ų76.737%0.37240%0.404SS..Hα-helixtrans-66-41.1-178.200000112.1T135 I140 Q141T135-A137 VanDerWaalsContact C-N 3.27Å; T135-A137 PolarHBondContact O-N 2.87Å; A137-I140 PolarHBondContact O-N 3.43Å; A137-Q141 WeakPolarHBondContact O-CB 3.46Å; A137-Q141 PolarHBondContact O-N 3.41Å
138E96Very high85Confident92 Ų9281.6 Ų81.643%0.4343%0.43SS..Hα-helixtrans-65.9-44.3175.9-71.8164.8147.100111.3Y134 T135 I140 Q141 L142Y134-E138 WeakPolarHBondContact CA-OE2 3.16Å; T135-E138 PolarHBondContact N-OE2 2.89Å; T135-E138 PolarHBondContact O-N 3.28Å; T135-E138 WeakPolarHBondContact OG1-CG 3.47Å; T135-E138 PolarHBondContact OG1-N 3.25Å; T135-E138 PolarHBondContact OG1-OE2 2.93Å; E138-I140 VanDerWaalsContact C-N 3.31Å; E138-I140 PolarHBondContact O-N 3.15Å; E138-Q141 PolarHBondContact O-N 3.25Å; E138-Q141 VanDerWaalsContact O-N 3.16Å; E138-L142 WeakPolarHBondContact O-CB 3.32Å; E138-L142 VanDerWaalsContact O-CG 3.28Å; E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 3.03Å
139A96.1Very high82.6Confident9 Ų986 Ų867%0.07446%0.458CS..Hα-helixtrans-57.5-43.7176.400000112.3L113 L119 Y134 T135 V136 S143L113-A139 HydrophobicContact CD2-CB 3.78Å; L119-A139 HydrophobicContact CD1-CB 3.93Å; Y134-A139 HydrophobicContact CD2-CB 3.76Å; Y134-A139 HydrophobicContact CE2-CB 3.81Å; T135-A139 WeakPolarHBondContact O-CB 3.45Å; T135-A139 PolarHBondContact O-N 3.44Å; V136-A139 PolarHBondContact O-N 2.98Å; A139-S143 PolarHBondContact O-N 2.96Å
140I96.7Very high79.6Confident4 Ų484.1 Ų84.12%0.02146%0.455CS..Hα-helixtrans-69.6-39.7177.4-65.1168.7000110.7R38 K39 H112 L113 Q116 V136 A137 E138 S143R38-I140 HydrophobicContact CB-CD1 4.44Å; R38-I140 HydrophobicContact CB-CG2 3.82Å; R38-I140 HydrophobicContact CG-CB 4.46Å; R38-I140 HydrophobicContact CG-CG2 3.93Å; K39-I140 HydrophobicContact CD-CG2 4.05Å; K39-I140 WeakPolarHBondContact CE-O 3.27Å; K39-I140 HydrophobicContact CG-CG2 4.01Å; K39-I140 PolarHBondContact NZ-O 2.96Å; H112-I140 HydrophobicContact CB-CD1 3.87Å; L113-I140 HydrophobicContact CD2-CG1 4.08Å; Q116-I140 HydrophobicContact CB-CB 4.43Å; Q116-I140 HydrophobicContact CB-CD1 4.39Å; Q116-I140 HydrophobicContact CB-CG1 4.12Å; Q116-I140 HydrophobicContact CB-CG2 3.56Å; V136-I140 HydrophobicContact CG1-CD1 3.91Å; V136-I140 WeakPolarHBondContact O-CG1 3.42Å; V136-I140 PolarHBondContact O-N 3.36Å; A137-I140 PolarHBondContact O-N 3.43Å; E138-I140 VanDerWaalsContact C-N 3.31Å; E138-I140 PolarHBondContact O-N 3.15Å; I140-S143 PolarHBondContact O-N 3.26Å; I140-S143 PolarHBondContact O-OG 3.02Å
141Q93.4Very high76.9Confident110 Ų11090.1 Ų90.151%0.51447%0.466SS..Hα-helixtrans-64-43.8180-168.569.134.400111.7A137 E138 S143A137-Q141 WeakPolarHBondContact O-CB 3.46Å; A137-Q141 PolarHBondContact O-N 3.41Å; E138-Q141 PolarHBondContact O-N 3.25Å; E138-Q141 VanDerWaalsContact O-N 3.16Å; Q141-S143 VanDerWaalsContact C-N 3.32Å; Q141-S143 PolarHBondContact O-N 3.45Å
142L89.2Confident73.9Confident139 Ų13991.4 Ų91.473%0.72848%0.478SS*.Hα-helixtrans-75.7-17.9-176.9-66.9171.9000113.6E138E138-L142 WeakPolarHBondContact O-CB 3.32Å; E138-L142 VanDerWaalsContact O-CG 3.28Å; E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 3.03Å
143S88.7Confident71.5Confident17 Ų1799.4 Ų99.412%0.11951%0.51CS..SBendtrans-62.5144.717873.60000111.3K39 Q116 A139 I140 Q141 S145K39-S143 PolarHBondContact NZ-O 2.93Å; K39-S143 PolarHBondContact NZ-OG 2.67Å; Q116-S143 WeakPolarHBondContact O-CB 3.26Å; Q116-S143 PolarHBondContact O-OG 3.48Å; A139-S143 PolarHBondContact O-N 2.96Å; I140-S143 PolarHBondContact O-N 3.26Å; I140-S143 PolarHBondContact O-OG 3.02Å; Q141-S143 VanDerWaalsContact C-N 3.32Å; Q141-S143 PolarHBondContact O-N 3.45Å; S143-S145 PolarHBondContact O-N 2.92Å
144R79.1Confident68.7Low135 Ų13592.8 Ų92.851%0.50950%0.499SS..  trans-83116-166.9-52.4-175.179.3-170.69108.5D118 G146 N148D118-R144 PolarHBondContact OD2-N 3.4Å; R144-G146 VanDerWaalsContact C-N 3.27Å; R144-G146 PolarHBondContact O-N 2.74Å; R144-N148 PolarHBondContact NH1-O 2.84Å; R144-N148 PolarHBondContact NH2-O 2.75Å
145S60.5Low66.5Low73 Ų7395.5 Ų95.551%0.5153%0.525SS..SBendtrans-78.779.6172.4-177.20000109.6S143S143-S145 PolarHBondContact O-N 2.92Å
146G51.5Low64.1Low39 Ų39101.4 Ų101.440%0.40254%0.541SS..SBendtrans70.6108.2169.300000115.5R144R144-G146 VanDerWaalsContact C-N 3.27Å; R144-G146 PolarHBondContact O-N 2.74Å
147Y39.6Very low61.8Low170 Ų170104.8 Ų104.867%0.66756%0.557SS**  trans47.6105.1163.6-63.1-85.7000118.7R13R13-Y147 PolarHBondContact NH2-OH 2.68Å
148N32.5Very low59.5Low111 Ų111107.4 Ų107.459%0.59457%0.573SS**  trans-147.4101.9136.9-87.8-39.1000107.4R144 S150R144-N148 PolarHBondContact NH1-O 2.84Å; R144-N148 PolarHBondContact NH2-O 2.75Å; N148-S150 VanDerWaalsContact C-N 3.31Å; N148-S150 PolarHBondContact O-N 3.3Å
149S43.9Very low56.9Low126 Ų126108 Ų10888%0.88158%0.579SS**  trans-6699.2163.433.80000107.7
150S33.3Very low54.8Low79 Ų79112.4 Ų112.455%0.55261%0.608SS**  trans-142113.2168-46.10000104.7N148 D152N148-S150 VanDerWaalsContact C-N 3.31Å; N148-S150 PolarHBondContact O-N 3.3Å; S150-D152 VanDerWaalsContact C-N 3.3Å; S150-D152 PolarHBondContact O-N 3.03Å
151E39.5Very low52.4Low192 Ų192120.9 Ų120.990%0.89765%0.648SS**  trans-5993.5172.9-66.7172.8130.600108.6
152D34.6Very low49.9Very low152 Ų152120.7 Ų120.781%0.81366%0.658SS**  trans-122.691.5151.2-100-32.3000106.4S150 S154S150-D152 VanDerWaalsContact C-N 3.3Å; S150-D152 PolarHBondContact O-N 3.03Å; D152-S154 PolarHBondContact O-N 2.91Å
153K45.8Very low47.7Very low202 Ų202119.2 Ų119.288%0.87866%0.66SS**  trans-58.787.8159.9-83.2176.3173.9153.60106.8S155K153-S155 PolarHBondContact O-N 3.35Å
154S36.8Very low45.5Very low89 Ų89122.8 Ų122.862%0.62269%0.69SS**  trans-67.3104167.957.90000108D152 Y156D152-S154 PolarHBondContact O-N 2.91Å; S154-Y156 PolarHBondContact O-N 3.28Å
155S47.3Very low43.8Very low107 Ų107121.8 Ų121.875%0.74870%0.704SS**SBendtrans-54.273.1173.3164.40000112.3K153K153-S155 PolarHBondContact O-N 3.35Å
156Y47.2Very low43.2Very low200 Ų200123.4 Ų123.478%0.78472%0.715SS**  trans-144.934169.9-42.5-73.9000113.4S154S154-Y156 PolarHBondContact O-N 3.28Å
157D49.7Very low43.1Very low110 Ų110125 Ų12559%0.58873%0.731SS**  trans-124.779.2166.8-91.9-34000108.6R123R123-D157 IonicContact CZ-OD2 3.98Å; R123-D157 IonicContact NH1-OD2 3.37Å; R123-D157 PolarHBondContact NH1-OD2 3.4Å; R123-D157 IonicContact NH2-OD2 3.83Å
158S48.5Very low43.6Very low99 Ų99124.9 Ų124.969%0.69274%0.741SS**  trans-129.876.4156.7-76.20000107.2C160S158-C160 PolarHBondContact O-N 3.05Å
159D41.7Very low44.3Very low106 Ų106123 Ų12357%0.56775%0.748SS**  trans-7076.2157-77.3-20000107E161D159-E161 PolarHBondContact O-N 2.89Å
160C51.8Low44.3Very low100 Ų100124.8 Ų124.868%0.67675%0.747SS**  trans-69.5111.2164.455.70000107.2S158 S162S158-C160 PolarHBondContact O-N 3.05Å; C160-S162 VanDerWaalsContact C-N 3.28Å; C160-S162 PolarHBondContact O-N 3.08Å
161E45.2Very low45Very low183 Ų183126.6 Ų126.686%0.85576%0.76SS**  trans-65.293.1166.9-71.6-158.8154.300108.5D159 S163D159-E161 PolarHBondContact O-N 2.89Å; E161-S163 VanDerWaalsContact C-N 3.34Å; E161-S163 PolarHBondContact O-N 3.3Å; E161-S163 VanDerWaalsContact O-N 3.1Å
162S40.5Very low45.4Very low105 Ų105124.9 Ų124.973%0.73476%0.755SS**  trans-7594.5162.6-66.80000107.4C160 A164C160-S162 VanDerWaalsContact C-N 3.28Å; C160-S162 PolarHBondContact O-N 3.08Å; S162-A164 VanDerWaalsContact C-N 3.25Å; S162-A164 PolarHBondContact O-N 3.09Å
163S43.3Very low46.1Very low109 Ų109128.7 Ų128.776%0.76278%0.775SS**  trans-6692.4160.3-68.10000107.7E161 S165E161-S163 VanDerWaalsContact C-N 3.34Å; E161-S163 PolarHBondContact O-N 3.3Å; E161-S163 VanDerWaalsContact O-N 3.1Å; S163-S165 VanDerWaalsContact C-N 3.34Å; S163-S165 PolarHBondContact O-N 3.25Å
164A43.1Very low46.1Very low91 Ų91125 Ų12575%0.75277%0.77SS**  trans-69.695.4166.800000107.8S162 S166S162-A164 VanDerWaalsContact C-N 3.25Å; S162-A164 PolarHBondContact O-N 3.09Å; A164-S166 VanDerWaalsContact C-N 3.29Å; A164-S166 PolarHBondContact O-N 3.27Å
165S43.9Very low46.6Very low115 Ų115126.9 Ų126.980%0.80478%0.778SS**  trans-66.791.9162.8167.60000107.8S163 G167S163-S165 VanDerWaalsContact C-N 3.34Å; S163-S165 PolarHBondContact O-N 3.25Å; S165-G167 PolarHBondContact O-N 3.23Å
166S47Very low46.5Very low107 Ų107128 Ų12875%0.74878%0.779SS**  trans-63.5113.7167.321.40000108.8A164 L168A164-S166 VanDerWaalsContact C-N 3.29Å; A164-S166 PolarHBondContact O-N 3.27Å; S166-L168 PolarHBondContact O-N 3.23Å
167G49.9Very low46.5Very low71 Ų71123.8 Ų123.873%0.73278%0.779SS**  trans-57.9134.2171.300000111.2S165S165-G167 PolarHBondContact O-N 3.23Å
168L50.3Low46.3Very low169 Ų169124.6 Ų124.689%0.88579%0.791SS**  trans-115.6106.6158.8-77.6167000106.6S166S166-L168 PolarHBondContact O-N 3.23Å
169G48Very low46.1Very low72 Ų72126.3 Ų126.374%0.74280%0.798SS**  trans-70.4137.1159.600000109.1
170L43Very low46.4Very low163 Ų163127.8 Ų127.885%0.85381%0.814SS**  trans-137.5106.4156.4-78.3173.1000107.3
171S48.3Very low46Very low117 Ų117129.9 Ų129.982%0.81883%0.825SS**  trans-62.6144152.7-55.40000108.9
172I46.8Very low46.1Very low156 Ų156125.5 Ų125.580%0.882%0.822SS**  trans-156.4142.4146.4-94.1139.5000106.6
173D49.1Very low46.6Very low231 Ų231127.4 Ų127.4100%1.23583%0.83SS**  trans-48.80-167.3-57.9-77.4000118

Retrieved 173 of 173 residues in 592 ms (Link to these results)

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