A0A096MNS5_PAPAN Loading...

Sentrin-specific protease 8

Protease that catalyzes two essential functions in the NEDD8 pathway: processing of full-length NEDD8 to its mature form and deconjugation of NEDD8 from targeted proteins such as cullins or p53.

AlphaFold DB (A0A2K6AZ51), UniProt , Accession A0A096MNS5, Species PAPAN (Papio anubis, Olive baboon), Gene SENP8, Length 212 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
1M86.2Confident96.4Very high241 Ų24181.5 Ų81.5100%1.18745%0.449SS*.  01460-74.9-173-9200107.4P3M1-P3 VanDerWaalsContact O-CD 3.27Å; M1-P3 WeakPolarHBondContact O-CD 3.34Å
2D96.4Very high96.6Very high62 Ų6281 Ų8133%0.33244%0.444SS..  trans-108.687.4-179.5-176.126.2000109.8R14 Q15 S16D2-R14 PolarHBondContact O-NH1 3.07Å; D2-R14 WeakPolarHBondContact OD2-CB 3.44Å; D2-R14 WeakPolarHBondContact OD2-CD 3.24Å; D2-Q15 PolarHBondContact OD1-N 3Å; D2-S16 VanDerWaalsContact CG-OG 3.29Å; D2-S16 WeakPolarHBondContact OD1-CB 3.47Å; D2-S16 PolarHBondContact OD1-N 3.4Å; D2-S16 PolarHBondContact OD1-OG 3.05Å; D2-S16 WeakPolarHBondContact OD2-CB 3.41Å; D2-S16 PolarHBondContact OD2-OG 2.91Å
3P97.8Very high96.8Very high71 Ų7174.8 Ų74.846%0.46141%0.411SS..  trans-71.8155.4-171.830.9-35.9000111.9M1 R14 Q15M1-P3 VanDerWaalsContact O-CD 3.27Å; M1-P3 WeakPolarHBondContact O-CD 3.34Å; P3-R14 CarbonylContact O-C 3.59Å; P3-R14 VanDerWaalsContact O-CA 3.23Å; P3-R14 WeakPolarHBondContact O-CA 3.3Å; P3-R14 WeakPolarHBondContact O-CB 3.49Å; P3-Q15 HydrophobicContact CG-CB 4.03Å; P3-Q15 PolarHBondContact O-N 2.67Å
4V98.3Very high96.9Very high73 Ų7376.6 Ų76.644%0.44241%0.408SS..EExtended strand (participates in β ladder)trans-67.9132.11681760000108.7L12V4-L12 HydrophobicContact CG1-CD1 3.57Å; V4-L12 HydrophobicContact CG1-CG 4.39Å; V4-L12 HydrophobicContact CG2-CD1 4.09Å; V4-L12 HydrophobicContact CG2-CD2 4.36Å; V4-L12 HydrophobicContact CG2-CG 4.42Å
5V98.4Very high97Very high40 Ų4077.4 Ų77.424%0.24241%0.409CS..EExtended strand (participates in β ladder)trans-101.5-42.2174.3175.10000110.6L13 Q15 V18 I206 A210V5-L13 PolarHBondContact N-O 2.75Å; V5-Q15 HydrophobicContact CG2-CB 4.06Å; V5-V18 HydrophobicContact CB-CG2 4.1Å; V5-V18 HydrophobicContact CG1-CG2 4.04Å; V5-V18 HydrophobicContact CG2-CG2 4.34Å; V5-I206 HydrophobicContact CG1-CG2 4.04Å; V5-A210 VanDerWaalsContact O-CB 3.25Å; V5-A210 WeakPolarHBondContact O-CB 3.36Å
6L98.6Very high97.1Very high11 Ų1176 Ų766%0.05841%0.407CS..EExtended strand (participates in β ladder)trans-144.4136-178179.564.3000110.5L12 L13 F34 I206 L209 A210L6-L12 CarbonylContact O-C 3.53Å; L6-L12 WeakPolarHBondContact O-CA 3.31Å; L6-L13 HydrophobicContact CB-CB 4.27Å; L6-L13 HydrophobicContact CD2-CD1 4.33Å; L6-L13 PolarHBondContact N-O 3.2Å; L6-L13 VanDerWaalsContact N-O 3.08Å; L6-L13 PolarHBondContact O-N 3.02Å; L6-F34 HydrophobicContact CD2-CD2 4.04Å; L6-F34 HydrophobicContact CD2-CE2 3.44Å; L6-F34 VanDerWaalsContact CD2-CE2 3.44Å; L6-F34 HydrophobicContact CD2-CZ 3.84Å; L6-I206 HydrophobicContact CB-CG2 4.25Å; L6-I206 HydrophobicContact CD2-CG1 4.43Å; L6-I206 HydrophobicContact CD2-CG2 4.14Å; L6-L209 HydrophobicContact CD1-CB 3.91Å; L6-L209 HydrophobicContact CD2-CB 4.26Å; L6-L209 HydrophobicContact CD2-CD1 4.46Å; L6-A210 HydrophobicContact CD1-CB 4.36Å
7S98.1Very high97.2Very high89 Ų8972.1 Ų72.162%0.62239%0.386SS*.EExtended strand (participates in β ladder)trans-117.3115.9161.9-178.40000106.9
8Y98.1Very high97.3Very high28 Ų2868.5 Ų68.511%0.1137%0.367CS..EExtended strand (participates in β ladder)trans-138.6111.8-175.1179.8-86.8000109.1D10 S11 F34 E37 N41 S42 L209Y8-D10 PolarHBondContact O-N 2.87Å; Y8-S11 PolarHBondContact N-O 2.72Å; Y8-S11 WeakPolarHBondContact O-CA 3.43Å; Y8-S11 WeakPolarHBondContact O-CB 3.33Å; Y8-S11 PolarHBondContact O-N 3.23Å; Y8-F34 HydrophobicContact CD1-CD2 4.26Å; Y8-F34 HydrophobicContact CD1-CE2 4.07Å; Y8-F34 HydrophobicContact CG-CD2 4.48Å; Y8-F34 HydrophobicContact CG-CE2 4.06Å; Y8-E37 HydrophobicContact CD1-CB 4.24Å; Y8-E37 HydrophobicContact CE1-CB 4.26Å; Y8-N41 HydrophobicContact CE1-CB 4.37Å; Y8-S42 PolarHBondContact OH-OG 2.75Å; Y8-L209 HydrophobicContact CD2-CD1 4.21Å; Y8-L209 HydrophobicContact CE2-CD1 4.34Å
9M96.5Very high97.3Very high113 Ų11367.3 Ų67.356%0.55736%0.364SS*.THydrogen-bonded Turntrans48.1-124.8-172.5-55.6-51.9-171.900110.6S11 E37 N41M9-S11 VanDerWaalsContact C-N 3.29Å; M9-S11 PolarHBondContact O-N 3.04Å; M9-E37 WeakPolarHBondContact CB-OE2 3.39Å; M9-N41 HydrophobicContact CE-CB 3.88Å; M9-N41 HydrophobicContact CG-CB 4.04Å
10D95.1Very high97.4Very high153 Ų15366.2 Ų66.282%0.81836%0.358SS*.THydrogen-bonded Turntrans-84.51.7179.5-65-37.9000113.7Y8Y8-D10 PolarHBondContact O-N 2.87Å
11S97.5Very high97.5Very high16 Ų1663 Ų6311%0.11234%0.341CS..EExtended strand (participates in β ladder)trans-99.3134.1178.2-68.30000112.9Y8 M9 F34 E37Y8-S11 PolarHBondContact N-O 2.72Å; Y8-S11 WeakPolarHBondContact O-CA 3.43Å; Y8-S11 WeakPolarHBondContact O-CB 3.33Å; Y8-S11 PolarHBondContact O-N 3.23Å; M9-S11 VanDerWaalsContact C-N 3.29Å; M9-S11 PolarHBondContact O-N 3.04Å; S11-F34 VanDerWaalsContact OG-CA 3.3Å; S11-F34 WeakPolarHBondContact OG-CA 3.21Å; S11-F34 PolarHBondContact OG-N 2.9Å; S11-E37 WeakPolarHBondContact OG-CG 3.4Å
12L98.3Very high98Very high75 Ų7555 Ų5539%0.39330%0.303SS..EExtended strand (participates in β ladder)trans-125.1110.6173.3-174.275.9000109.5V4 L6V4-L12 HydrophobicContact CG1-CD1 3.57Å; V4-L12 HydrophobicContact CG1-CG 4.39Å; V4-L12 HydrophobicContact CG2-CD1 4.09Å; V4-L12 HydrophobicContact CG2-CD2 4.36Å; V4-L12 HydrophobicContact CG2-CG 4.42Å; L6-L12 CarbonylContact O-C 3.53Å; L6-L12 WeakPolarHBondContact O-CA 3.31Å
13L98.8Very high98Very high1 Ų154.9 Ų54.91%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-100.2129.4177.1-56.3-175.2000110.8V5 L6 D17 V18 H30 I31 F34 I206V5-L13 PolarHBondContact N-O 2.75Å; L6-L13 HydrophobicContact CB-CB 4.27Å; L6-L13 HydrophobicContact CD2-CD1 4.33Å; L6-L13 PolarHBondContact N-O 3.2Å; L6-L13 VanDerWaalsContact N-O 3.08Å; L6-L13 PolarHBondContact O-N 3.02Å; L13-D17 HydrophobicContact CD2-CB 4.29Å; L13-V18 HydrophobicContact CB-CG2 4.07Å; L13-V18 HydrophobicContact CD1-CG2 4.3Å; L13-H30 HydrophobicContact CD2-CB 3.92Å; L13-H30 WeakPolarHBondContact CD2-O 3.4Å; L13-I31 HydrophobicContact CD1-CD1 4.1Å; L13-I31 HydrophobicContact CD2-CD1 4.07Å; L13-F34 HydrophobicContact CD1-CB 4.06Å; L13-F34 HydrophobicContact CD1-CD1 3.88Å; L13-F34 HydrophobicContact CD1-CD2 4.24Å; L13-F34 HydrophobicContact CD1-CE1 4.44Å; L13-F34 HydrophobicContact CD1-CG 3.76Å; L13-F34 HydrophobicContact CD2-CB 3.97Å; L13-F34 HydrophobicContact CG-CB 4.26Å; L13-F34 HydrophobicContact CG-CG 4.36Å; L13-I206 HydrophobicContact CD1-CD1 3.64Å; L13-I206 HydrophobicContact CD1-CG1 3.91Å; L13-I206 HydrophobicContact CD1-CG2 4.22Å
14R98.7Very high98Very high99 Ų9955.8 Ų55.837%0.37431%0.311SS..EExtended strand (participates in β ladder)trans-98.3171169.3-63-177174.5-84.6-6.5111.3D2 P3 S16 D17 V18D2-R14 PolarHBondContact O-NH1 3.07Å; D2-R14 WeakPolarHBondContact OD2-CB 3.44Å; D2-R14 WeakPolarHBondContact OD2-CD 3.24Å; P3-R14 CarbonylContact O-C 3.59Å; P3-R14 VanDerWaalsContact O-CA 3.23Å; P3-R14 WeakPolarHBondContact O-CA 3.3Å; P3-R14 WeakPolarHBondContact O-CB 3.49Å; R14-S16 PolarHBondContact O-N 2.66Å; R14-D17 WeakPolarHBondContact CB-OD2 3.49Å; R14-D17 PolarHBondContact N-OD2 2.99Å; R14-D17 PolarHBondContact O-N 2.74Å; R14-D17 VanDerWaalsContact O-N 3.14Å; R14-V18 WeakPolarHBondContact O-CG2 3.44Å; R14-V18 PolarHBondContact O-N 3.29Å; R14-V18 VanDerWaalsContact O-N 3.09Å
15Q98.6Very high98Very high89 Ų8954.2 Ų54.242%0.41630%0.304SS..Hα-helixtrans-58.7-37.6178.3-174.660.758.500111.6D2 P3 V5 S19D2-Q15 PolarHBondContact OD1-N 3Å; P3-Q15 HydrophobicContact CG-CB 4.03Å; P3-Q15 PolarHBondContact O-N 2.67Å; V5-Q15 HydrophobicContact CG2-CB 4.06Å; Q15-S19 PolarHBondContact NE2-OG 2.81Å; Q15-S19 WeakPolarHBondContact O-CB 3.41Å; Q15-S19 PolarHBondContact O-N 3.16Å; Q15-S19 PolarHBondContact O-OG 2.77Å
16S98.4Very high98Very high55 Ų5558 Ų5839%0.38531%0.314SS..Hα-helixtrans-58.8-46.4174.659.90000112.2D2 R14 S19D2-S16 VanDerWaalsContact CG-OG 3.29Å; D2-S16 WeakPolarHBondContact OD1-CB 3.47Å; D2-S16 PolarHBondContact OD1-N 3.4Å; D2-S16 PolarHBondContact OD1-OG 3.05Å; D2-S16 WeakPolarHBondContact OD2-CB 3.41Å; D2-S16 PolarHBondContact OD2-OG 2.91Å; R14-S16 PolarHBondContact O-N 2.66Å; S16-S19 PolarHBondContact O-N 3.29Å
17D98.7Very high98Very high9 Ų957.7 Ų57.75%0.04831%0.312CS..Hα-helixtrans-62.1-50.5178.5-54.4-59.4000111.4L13 R14 S19 L20 N28 H30 I31L13-D17 HydrophobicContact CD2-CB 4.29Å; R14-D17 WeakPolarHBondContact CB-OD2 3.49Å; R14-D17 PolarHBondContact N-OD2 2.99Å; R14-D17 PolarHBondContact O-N 2.74Å; R14-D17 VanDerWaalsContact O-N 3.14Å; D17-S19 PolarHBondContact O-N 2.98Å; D17-L20 VanDerWaalsContact O-CB 3.24Å; D17-L20 WeakPolarHBondContact O-CB 3.4Å; D17-L20 PolarHBondContact O-N 2.82Å; D17-N28 PolarHBondContact OD1-ND2 3.31Å; D17-H30 HydrophobicContact CB-CB 4.45Å; D17-H30 IonicContact OD1-CE1 2.67Å; D17-H30 IonicContact OD1-CG 3.72Å; D17-H30 IonicContact OD1-ND1 3.21Å; D17-H30 PolarHBondContact OD1-ND1 3.25Å; D17-H30 IonicContact OD2-ND1 3.52Å; D17-I31 HydrophobicContact CB-CD1 4.22Å; D17-I31 HydrophobicContact CB-CG1 4.41Å
18V98.6Very high98Very high8 Ų855.1 Ų55.15%0.04829%0.292CS..Hα-helixtrans-63.9-30-177.7-179.50000111.7V5 L13 R14 L20 L21 K203 I206V5-V18 HydrophobicContact CB-CG2 4.1Å; V5-V18 HydrophobicContact CG1-CG2 4.04Å; V5-V18 HydrophobicContact CG2-CG2 4.34Å; L13-V18 HydrophobicContact CB-CG2 4.07Å; L13-V18 HydrophobicContact CD1-CG2 4.3Å; R14-V18 WeakPolarHBondContact O-CG2 3.44Å; R14-V18 PolarHBondContact O-N 3.29Å; R14-V18 VanDerWaalsContact O-N 3.09Å; V18-L20 PolarHBondContact O-N 3.02Å; V18-L21 WeakPolarHBondContact O-CB 3.48Å; V18-L21 PolarHBondContact O-N 2.92Å; V18-K203 HydrophobicContact CG1-CG 4.11Å; V18-I206 HydrophobicContact CG1-CG2 4.47Å; V18-I206 HydrophobicContact CG2-CD1 4.44Å; V18-I206 HydrophobicContact CG2-CG2 3.93Å
19S98.5Very high98.1Very high45 Ų4556.7 Ų56.732%0.31530%0.302SS..Hα-helixtrans-67.7-20.7176.2-54.40000112.5Q15 S16 D17 L21 D22Q15-S19 PolarHBondContact NE2-OG 2.81Å; Q15-S19 WeakPolarHBondContact O-CB 3.41Å; Q15-S19 PolarHBondContact O-N 3.16Å; Q15-S19 PolarHBondContact O-OG 2.77Å; S16-S19 PolarHBondContact O-N 3.29Å; D17-S19 PolarHBondContact O-N 2.98Å; S19-L21 PolarHBondContact O-N 3.24Å; S19-D22 WeakPolarHBondContact O-CB 3.33Å; S19-D22 PolarHBondContact O-N 3.47Å; S19-D22 VanDerWaalsContact O-N 3.13Å
20L98.7Very high98.2Very high45 Ų4555 Ų5524%0.23629%0.292CS..THydrogen-bonded Turntrans-70-14.6175.6-58.3176.7000113.3D17 V18 D22 S25 L27 N28 R199D17-L20 VanDerWaalsContact O-CB 3.24Å; D17-L20 WeakPolarHBondContact O-CB 3.4Å; D17-L20 PolarHBondContact O-N 2.82Å; V18-L20 PolarHBondContact O-N 3.02Å; L20-D22 PolarHBondContact O-N 3.05Å; L20-S25 WeakPolarHBondContact O-CB 3.32Å; L20-L27 WeakPolarHBondContact O-CD2 3.39Å; L20-N28 HydrophobicContact CD1-CB 3.84Å; L20-R199 PolarHBondContact O-NH1 3.37Å
21L98.6Very high98.3Very high1 Ų147.9 Ų47.91%0.00525%0.254CS..THydrogen-bonded Turntrans-70.2-20.9171.8-73.1165.6000111.9V18 S19 P23 L27 I31 M165 R199 W202 K203 I206V18-L21 WeakPolarHBondContact O-CB 3.48Å; V18-L21 PolarHBondContact O-N 2.92Å; S19-L21 PolarHBondContact O-N 3.24Å; L21-P23 WeakPolarHBondContact O-CD 3.34Å; L21-L27 HydrophobicContact CD2-CD2 4.06Å; L21-I31 HydrophobicContact CD1-CD1 4.29Å; L21-I31 HydrophobicContact CD2-CG2 3.99Å; L21-I31 HydrophobicContact CG-CD1 4.38Å; L21-I31 HydrophobicContact CG-CG2 4.4Å; L21-M165 HydrophobicContact CD2-SD 4.26Å; L21-R199 WeakPolarHBondContact O-CB 3.48Å; L21-R199 WeakPolarHBondContact O-CD 3.34Å; L21-R199 PolarHBondContact O-NH1 3.09Å; L21-R199 VanDerWaalsContact O-NH1 3.1Å; L21-W202 HydrophobicContact CD1-CB 4.33Å; L21-W202 HydrophobicContact CD2-CB 4.15Å; L21-K203 HydrophobicContact CD1-CB 4.06Å; L21-K203 HydrophobicContact CD1-CG 4.41Å; L21-I206 HydrophobicContact CD1-CD1 3.57Å
22D98.3Very high98.4Very high72 Ų7247.1 Ų47.139%0.38525%0.249SC..SBendtrans-76.2117.9174.3-63.5-40.8000110.8S19 L20 S25 K203S19-D22 WeakPolarHBondContact O-CB 3.33Å; S19-D22 PolarHBondContact O-N 3.47Å; S19-D22 VanDerWaalsContact O-N 3.13Å; L20-D22 PolarHBondContact O-N 3.05Å; D22-S25 WeakPolarHBondContact O-CB 3.32Å; D22-S25 PolarHBondContact O-N 3.38Å; D22-S25 VanDerWaalsContact O-N 3.11Å; D22-S25 PolarHBondContact O-OG 2.97Å; D22-K203 IonicContact OD1-NZ 3.65Å; D22-K203 PolarHBondContact OD1-NZ 2.69Å; D22-K203 IonicContact OD2-NZ 3.85Å; D22-K203 PolarHBondContact OD2-NZ 3.1Å
23P96.1Very high98.4Very high60 Ų6043.7 Ų43.739%0.3923%0.232SC..THydrogen-bonded Turntrans-58.7146.6174.1-20.631.1000111.8L21 Y161L21-P23 WeakPolarHBondContact O-CD 3.34Å; P23-Y161 HydrophobicContact CB-CE2 3.92Å
24P97.9Very high98.4Very high89 Ų8943.7 Ų43.758%0.57823%0.232SC*.THydrogen-bonded Turncis-95.431.4738.5-36.1000113.8Y161P24-Y161 HydrophobicContact CB-CD1 3.44Å; P24-Y161 VanDerWaalsContact CB-CD1 3.44Å; P24-Y161 HydrophobicContact CB-CD2 4.45Å; P24-Y161 HydrophobicContact CB-CE1 3.42Å; P24-Y161 VanDerWaalsContact CB-CE1 3.42Å; P24-Y161 HydrophobicContact CB-CE2 4.45Å; P24-Y161 HydrophobicContact CB-CG 3.98Å; P24-Y161 WeakPolarHBondContact O-CB 3.45Å
25S98.3Very high98.4Very high41 Ų4139 Ų3929%0.28721%0.214SC..PPolyproline II helixtrans-69.4143.9-177.5-55.40000112.8L20 D22 R199L20-S25 WeakPolarHBondContact O-CB 3.32Å; D22-S25 WeakPolarHBondContact O-CB 3.32Å; D22-S25 PolarHBondContact O-N 3.38Å; D22-S25 VanDerWaalsContact O-N 3.11Å; D22-S25 PolarHBondContact O-OG 2.97Å; S25-R199 PolarHBondContact O-NH1 3.23Å; S25-R199 PolarHBondContact O-NH2 2.93Å
26W98.3Very high98.4Very high118 Ų11835 Ų3545%0.44720%0.195SC..PPolyproline II helixtrans-80.5139.1173.5-69.215.1000109.4T101 S160 Y161W26-T101 WeakPolarHBondContact CH2-O 3.43Å; W26-T101 HydrophobicContact CZ3-CG2 4.48Å; W26-S160 WeakPolarHBondContact CZ2-O 3.2Å; W26-S160 PolarHBondContact NE1-O 2.76Å; W26-Y161 VanDerWaalsContact CD1-CA 3.45Å
27L98.6Very high98.4Very high6 Ų634.2 Ų34.23%0.03119%0.186CC..PPolyproline II helixtrans-73.2142.4171.9-54.1-169.6000110.4L20 L21 I31 I32 W103 M165 I168L20-L27 WeakPolarHBondContact O-CD2 3.39Å; L21-L27 HydrophobicContact CD2-CD2 4.06Å; L27-I31 HydrophobicContact CD1-CG2 3.97Å; L27-I31 HydrophobicContact CD2-CG2 4.16Å; L27-I31 HydrophobicContact CG-CG2 4.48Å; L27-I32 HydrophobicContact CB-CG1 4.38Å; L27-I32 HydrophobicContact CD1-CG1 4.43Å; L27-W103 PolarHBondContact O-NE1 3.44Å; L27-M165 HydrophobicContact CD1-CG 3.89Å; L27-M165 HydrophobicContact CD1-SD 3.69Å; L27-M165 HydrophobicContact CG-CG 4.42Å; L27-I168 HydrophobicContact CD1-CD1 3.71Å
28N98.5Very high98.4Very high35 Ų3536 Ų3619%0.18719%0.192CC..  trans-93.7179.5168.866.1-7.3000111.5D17 L20 H30 I31 I32D17-N28 PolarHBondContact OD1-ND2 3.31Å; L20-N28 HydrophobicContact CD1-CB 3.84Å; N28-H30 PolarHBondContact ND2-ND1 3.23Å; N28-H30 PolarHBondContact OD1-N 3.43Å; N28-I31 WeakPolarHBondContact OD1-CG1 3.42Å; N28-I31 PolarHBondContact OD1-N 3.3Å; N28-I32 PolarHBondContact O-N 2.67Å
29D98.4Very high98.5Very high61 Ų6135.6 Ų35.633%0.32619%0.19SC..Hα-helixtrans-55.1-45.2171.743.810.5000112.5I31 I32 G33 P56 W103D29-I31 VanDerWaalsContact C-N 3.35Å; D29-I31 PolarHBondContact O-N 3.08Å; D29-I32 PolarHBondContact O-N 3.34Å; D29-G33 PolarHBondContact O-N 3.26Å; D29-P56 HydrophobicContact CB-CB 3.77Å; D29-P56 HydrophobicContact CB-CG 4.16Å; D29-W103 HydrophobicContact CB-CH2 4.41Å
30H98.6Very high98.5Very high77 Ų7734.7 Ų34.736%0.35619%0.185SC..Hα-helixtrans-56.9-42.8-178.1-60.3144.3000113.6L13 D17 N28 F34L13-H30 HydrophobicContact CD2-CB 3.92Å; L13-H30 WeakPolarHBondContact CD2-O 3.4Å; D17-H30 HydrophobicContact CB-CB 4.45Å; D17-H30 IonicContact OD1-CE1 2.67Å; D17-H30 IonicContact OD1-CG 3.72Å; D17-H30 IonicContact OD1-ND1 3.21Å; D17-H30 PolarHBondContact OD1-ND1 3.25Å; D17-H30 IonicContact OD2-ND1 3.52Å; N28-H30 PolarHBondContact ND2-ND1 3.23Å; N28-H30 PolarHBondContact OD1-N 3.43Å; H30-F34 VanDerWaalsContact O-CB 3.28Å; H30-F34 WeakPolarHBondContact O-CB 3.34Å; H30-F34 PolarHBondContact O-N 2.95Å
31I98.8Very high98.4Very high3 Ų335.3 Ų35.32%0.01519%0.189CC..Hα-helixtrans-69.6-41.4179.2-65.2-66.7000111.7L13 D17 L21 L27 N28 D29 A35 I168 I206L13-I31 HydrophobicContact CD1-CD1 4.1Å; L13-I31 HydrophobicContact CD2-CD1 4.07Å; D17-I31 HydrophobicContact CB-CD1 4.22Å; D17-I31 HydrophobicContact CB-CG1 4.41Å; L21-I31 HydrophobicContact CD1-CD1 4.29Å; L21-I31 HydrophobicContact CD2-CG2 3.99Å; L21-I31 HydrophobicContact CG-CD1 4.38Å; L21-I31 HydrophobicContact CG-CG2 4.4Å; L27-I31 HydrophobicContact CD1-CG2 3.97Å; L27-I31 HydrophobicContact CD2-CG2 4.16Å; L27-I31 HydrophobicContact CG-CG2 4.48Å; N28-I31 WeakPolarHBondContact OD1-CG1 3.42Å; N28-I31 PolarHBondContact OD1-N 3.3Å; D29-I31 VanDerWaalsContact C-N 3.35Å; D29-I31 PolarHBondContact O-N 3.08Å; I31-A35 PolarHBondContact O-N 3.14Å; I31-I168 HydrophobicContact CG2-CD1 4.27Å; I31-I206 HydrophobicContact CD1-CD1 4.38Å
32I98.9Very high98.4Very high0 Ų037.9 Ų37.90%021%0.206CC..Hα-helixtrans-69.6-41.9178.8-60.5170.2000110.4L27 N28 D29 A35 F36 P56 A89 W103 V167 I168L27-I32 HydrophobicContact CB-CG1 4.38Å; L27-I32 HydrophobicContact CD1-CG1 4.43Å; N28-I32 PolarHBondContact O-N 2.67Å; D29-I32 PolarHBondContact O-N 3.34Å; I32-A35 PolarHBondContact O-N 2.74Å; I32-F36 HydrophobicContact CG2-CE1 4.4Å; I32-F36 PolarHBondContact O-N 3.09Å; I32-P56 HydrophobicContact CB-CG 3.92Å; I32-P56 HydrophobicContact CG2-CG 3.87Å; I32-A89 HydrophobicContact CG2-CB 3.8Å; I32-W103 HydrophobicContact CD1-CB 4.49Å; I32-W103 HydrophobicContact CD1-CD2 3.55Å; I32-W103 HydrophobicContact CD1-CE3 4.01Å; I32-W103 HydrophobicContact CD1-CG 3.77Å; I32-W103 HydrophobicContact CD1-CZ2 4.19Å; I32-W103 HydrophobicContact CD1-CZ3 4.48Å; I32-V167 HydrophobicContact CG2-CG1 4.23Å; I32-I168 HydrophobicContact CG1-CD1 4.24Å; I32-I168 HydrophobicContact CG1-CG1 4.39Å
33G98.8Very high98.4Very high4 Ų436.8 Ų36.84%0.04120%0.199CC..Hα-helixtrans-59-46.9173.800000111.6D29 A35 F36 E37D29-G33 PolarHBondContact O-N 3.26Å; G33-A35 VanDerWaalsContact C-N 3.34Å; G33-A35 PolarHBondContact O-N 3.1Å; G33-F36 PolarHBondContact O-N 3.21Å; G33-E37 WeakPolarHBondContact O-CB 3.4Å; G33-E37 PolarHBondContact O-N 2.93Å
34F98.8Very high98.5Very high1 Ų134 Ų340%0.00418%0.181CC..Hα-helixtrans-58.6-43.3173.4165.6-105.7000112.6L6 Y8 S11 L13 H30 F36 E37 Y38 W202 I206 L209L6-F34 HydrophobicContact CD2-CD2 4.04Å; L6-F34 HydrophobicContact CD2-CE2 3.44Å; L6-F34 VanDerWaalsContact CD2-CE2 3.44Å; L6-F34 HydrophobicContact CD2-CZ 3.84Å; Y8-F34 HydrophobicContact CD1-CD2 4.26Å; Y8-F34 HydrophobicContact CD1-CE2 4.07Å; Y8-F34 HydrophobicContact CG-CD2 4.48Å; Y8-F34 HydrophobicContact CG-CE2 4.06Å; S11-F34 VanDerWaalsContact OG-CA 3.3Å; S11-F34 WeakPolarHBondContact OG-CA 3.21Å; S11-F34 PolarHBondContact OG-N 2.9Å; L13-F34 HydrophobicContact CD1-CB 4.06Å; L13-F34 HydrophobicContact CD1-CD1 3.88Å; L13-F34 HydrophobicContact CD1-CD2 4.24Å; L13-F34 HydrophobicContact CD1-CE1 4.44Å; L13-F34 HydrophobicContact CD1-CG 3.76Å; L13-F34 HydrophobicContact CD2-CB 3.97Å; L13-F34 HydrophobicContact CG-CB 4.26Å; L13-F34 HydrophobicContact CG-CG 4.36Å; H30-F34 VanDerWaalsContact O-CB 3.28Å; H30-F34 WeakPolarHBondContact O-CB 3.34Å; H30-F34 PolarHBondContact O-N 2.95Å; F34-F36 VanDerWaalsContact C-N 3.32Å; F34-F36 PolarHBondContact O-N 3.12Å; F34-E37 WeakPolarHBondContact O-CB 3.44Å; F34-E37 PolarHBondContact O-N 2.7Å; F34-Y38 WeakPolarHBondContact O-CB 3.33Å; F34-Y38 PolarHBondContact O-N 3.47Å; F34-W202 HydrophobicContact CD1-CE3 4.29Å; F34-W202 HydrophobicContact CD1-CZ3 4.18Å; F34-W202 AromaticContact CE1-CE3 3.76Å; F34-W202 HydrophobicContact CE1-CE3 3.76Å; F34-W202 AromaticContact CE1-CZ3 3.69Å; F34-W202 HydrophobicContact CE1-CZ3 3.69Å; F34-W202 HydrophobicContact CZ-CZ3 4.44Å; F34-I206 HydrophobicContact CD1-CD1 4.18Å; F34-I206 HydrophobicContact CD1-CG1 4.07Å; F34-I206 HydrophobicContact CE1-CD1 3.94Å; F34-I206 HydrophobicContact CE1-CG1 3.4Å; F34-I206 HydrophobicContact CZ-CG1 3.84Å; F34-L209 HydrophobicContact CE2-CD1 4.15Å; F34-L209 HydrophobicContact CZ-CD1 3.89Å
35A98.9Very high98.5Very high0 Ų034.8 Ų34.80%018%0.177CC..Hα-helixtrans-61.8-42.6177.700000111.6I31 I32 G33 Y38 F39 I168 W202I31-A35 PolarHBondContact O-N 3.14Å; I32-A35 PolarHBondContact O-N 2.74Å; G33-A35 VanDerWaalsContact C-N 3.34Å; G33-A35 PolarHBondContact O-N 3.1Å; A35-Y38 PolarHBondContact O-N 3.04Å; A35-F39 HydrophobicContact CB-CE2 4.34Å; A35-F39 WeakPolarHBondContact O-CD2 3.39Å; A35-F39 WeakPolarHBondContact O-CG 3.32Å; A35-F39 PolarHBondContact O-N 2.99Å; A35-I168 HydrophobicContact CB-CB 4.47Å; A35-I168 HydrophobicContact CB-CD1 3.86Å; A35-I168 HydrophobicContact CB-CG1 3.83Å; A35-I168 HydrophobicContact CB-CG2 3.86Å; A35-W202 HydrophobicContact CB-CE3 4.48Å; A35-W202 HydrophobicContact CB-CH2 3.53Å; A35-W202 HydrophobicContact CB-CZ2 3.92Å; A35-W202 HydrophobicContact CB-CZ3 3.84Å
36F98.8Very high98.5Very high4 Ų438.2 Ų38.22%0.01819%0.192CC..Hα-helixtrans-65.6-40.6176.7-82.121.8000112.1I32 G33 F34 F39 A40 F53 I54 F87 A89 L105 V167 T171I32-F36 HydrophobicContact CG2-CE1 4.4Å; I32-F36 PolarHBondContact O-N 3.09Å; G33-F36 PolarHBondContact O-N 3.21Å; F34-F36 VanDerWaalsContact C-N 3.32Å; F34-F36 PolarHBondContact O-N 3.12Å; F36-F39 AromaticContact CD1-CD2 3.99Å; F36-F39 HydrophobicContact CD1-CD2 3.99Å; F36-F39 HydrophobicContact CD1-CE2 4.15Å; F36-F39 HydrophobicContact CE1-CE2 4.48Å; F36-F39 PolarHBondContact O-N 2.8Å; F36-A40 WeakPolarHBondContact O-CB 3.31Å; F36-A40 PolarHBondContact O-N 3.01Å; F36-F53 HydrophobicContact CB-CB 3.82Å; F36-F53 HydrophobicContact CD2-CB 3.82Å; F36-F53 HydrophobicContact CG-CB 3.9Å; F36-I54 VanDerWaalsContact CD2-O 3.28Å; F36-I54 WeakPolarHBondContact CD2-O 3.19Å; F36-I54 VanDerWaalsContact CE2-O 3.3Å; F36-I54 WeakPolarHBondContact CE2-O 3.47Å; F36-F87 HydrophobicContact CE2-CB 4.42Å; F36-F87 HydrophobicContact CZ-CB 4.39Å; F36-A89 HydrophobicContact CE2-CB 4.11Å; F36-A89 HydrophobicContact CZ-CB 4.23Å; F36-L105 HydrophobicContact CZ-CD1 4.17Å; F36-V167 HydrophobicContact CE1-CG1 4.42Å; F36-V167 HydrophobicContact CZ-CG1 4.23Å; F36-T171 HydrophobicContact CD1-CG2 4.46Å; F36-T171 HydrophobicContact CE1-CG2 3.87Å; F36-T171 HydrophobicContact CZ-CG2 4.39Å
37E98.4Very high98.5Very high39 Ų3933.1 Ų33.118%0.18217%0.174CC..Hα-helixtrans-60.5-43.7171.9-87.9-59142.500112.1Y8 M9 S11 G33 F34 F39 A40 N41Y8-E37 HydrophobicContact CD1-CB 4.24Å; Y8-E37 HydrophobicContact CE1-CB 4.26Å; M9-E37 WeakPolarHBondContact CB-OE2 3.39Å; S11-E37 WeakPolarHBondContact OG-CG 3.4Å; G33-E37 WeakPolarHBondContact O-CB 3.4Å; G33-E37 PolarHBondContact O-N 2.93Å; F34-E37 WeakPolarHBondContact O-CB 3.44Å; F34-E37 PolarHBondContact O-N 2.7Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 2.95Å; E37-A40 PolarHBondContact O-N 3.28Å; E37-N41 WeakPolarHBondContact O-CB 3.5Å; E37-N41 PolarHBondContact O-N 3.44Å; E37-N41 PolarHBondContact O-ND2 2.9Å; E37-N41 PolarHBondContact OE2-ND2 3.24Å
38Y98.8Very high98.3Very high47 Ų4735 Ų3518%0.18419%0.187CC..Hα-helixtrans-64.8-39.1176.5-177.4-100.2000112F34 A35 S42 Q43 W202 L205 L209F34-Y38 WeakPolarHBondContact O-CB 3.33Å; F34-Y38 PolarHBondContact O-N 3.47Å; A35-Y38 PolarHBondContact O-N 3.04Å; Y38-S42 VanDerWaalsContact CE2-CB 3.5Å; Y38-S42 WeakPolarHBondContact O-CA 3.38Å; Y38-S42 WeakPolarHBondContact O-CB 3.33Å; Y38-S42 PolarHBondContact O-N 3.07Å; Y38-Q43 HydrophobicContact CD1-CB 4.27Å; Y38-Q43 HydrophobicContact CE1-CB 3.92Å; Y38-Q43 PolarHBondContact O-N 3.03Å; Y38-W202 AromaticContact CD1-CH2 3.89Å; Y38-W202 HydrophobicContact CD1-CH2 3.89Å; Y38-W202 HydrophobicContact CD1-CZ3 4.11Å; Y38-W202 HydrophobicContact CG-CH2 4.44Å; Y38-W202 HydrophobicContact CG-CZ3 4.33Å; Y38-L205 HydrophobicContact CD1-CD2 3.92Å; Y38-L205 HydrophobicContact CD2-CD2 4.16Å; Y38-L205 HydrophobicContact CE1-CD2 3.67Å; Y38-L205 HydrophobicContact CE2-CD1 3.96Å; Y38-L205 HydrophobicContact CE2-CD2 3.93Å; Y38-L205 HydrophobicContact CE2-CG 4.41Å; Y38-L205 HydrophobicContact CG-CD2 4.15Å; Y38-L209 HydrophobicContact CD2-CD1 3.99Å; Y38-L209 HydrophobicContact CE2-CD1 4.08Å
39F98.8Very high98.3Very high0 Ų039.5 Ų39.50%021%0.212CC..Iπ-helixtrans-62.5-47.8173.9-62.9-30000111.8A35 F36 E37 Q43 F44 F53 I168 T171 E172 W202A35-F39 HydrophobicContact CB-CE2 4.34Å; A35-F39 WeakPolarHBondContact O-CD2 3.39Å; A35-F39 WeakPolarHBondContact O-CG 3.32Å; A35-F39 PolarHBondContact O-N 2.99Å; F36-F39 AromaticContact CD1-CD2 3.99Å; F36-F39 HydrophobicContact CD1-CD2 3.99Å; F36-F39 HydrophobicContact CD1-CE2 4.15Å; F36-F39 HydrophobicContact CE1-CE2 4.48Å; F36-F39 PolarHBondContact O-N 2.8Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 2.95Å; F39-Q43 HydrophobicContact CD1-CB 4.37Å; F39-F44 HydrophobicContact CB-CD2 3.96Å; F39-F44 HydrophobicContact CB-CE2 4.5Å; F39-F44 HydrophobicContact CD1-CD2 4.19Å; F39-F44 AromaticContact CD1-CE2 3.95Å; F39-F44 HydrophobicContact CD1-CE2 3.95Å; F39-F44 HydrophobicContact CG-CD2 4.31Å; F39-F44 HydrophobicContact CG-CE2 4.35Å; F39-F44 CarbonylContact O-C 3.58Å; F39-F44 WeakPolarHBondContact O-CA 3.16Å; F39-F44 WeakPolarHBondContact O-CB 3.45Å; F39-F44 PolarHBondContact O-N 3.46Å; F39-F53 HydrophobicContact CB-CD1 4.18Å; F39-F53 HydrophobicContact CB-CD2 4.17Å; F39-F53 HydrophobicContact CB-CE1 3.88Å; F39-F53 HydrophobicContact CB-CE2 3.85Å; F39-F53 HydrophobicContact CB-CG 4.32Å; F39-F53 HydrophobicContact CB-CZ 3.7Å; F39-F53 HydrophobicContact CD2-CD1 4.24Å; F39-F53 HydrophobicContact CD2-CE1 4.14Å; F39-F53 HydrophobicContact CG-CE1 4.38Å; F39-I168 HydrophobicContact CE2-CG2 4.34Å; F39-I168 HydrophobicContact CZ-CG2 3.93Å; F39-T171 HydrophobicContact CD2-CG2 3.8Å; F39-T171 HydrophobicContact CE2-CG2 3.78Å; F39-E172 HydrophobicContact CE1-CB 4.05Å; F39-E172 HydrophobicContact CE1-CG 4.19Å; F39-E172 HydrophobicContact CZ-CB 3.79Å; F39-E172 HydrophobicContact CZ-CG 4.42Å; F39-W202 HydrophobicContact CD1-CH2 4.39Å; F39-W202 AromaticContact CE1-CH2 3.7Å; F39-W202 HydrophobicContact CE1-CH2 3.7Å; F39-W202 AromaticContact CE1-CZ2 3.61Å; F39-W202 HydrophobicContact CE1-CZ2 3.61Å; F39-W202 AromaticContact CZ-CH2 3.92Å; F39-W202 HydrophobicContact CZ-CH2 3.92Å; F39-W202 AromaticContact CZ-CZ2 3.57Å; F39-W202 HydrophobicContact CZ-CZ2 3.57Å
40A98.4Very high98.2Very high26 Ų2640.2 Ų40.222%0.21522%0.216CC..Iπ-helixtrans-65.5-41.9-178.700000113.1F36 E37 H45 F53F36-A40 WeakPolarHBondContact O-CB 3.31Å; F36-A40 PolarHBondContact O-N 3.01Å; E37-A40 PolarHBondContact O-N 3.28Å; A40-H45 WeakPolarHBondContact O-CA 3.32Å; A40-F53 HydrophobicContact CB-CD2 3.83Å; A40-F53 HydrophobicContact CB-CE2 4.44Å
41N98.1Very high98.2Very high58 Ų5836.9 Ų36.931%0.3120%0.2SC..Iπ-helixtrans-108.1-8.5-166.6-71.8-65.1000114.6Y8 M9 E37Y8-N41 HydrophobicContact CE1-CB 4.37Å; M9-N41 HydrophobicContact CE-CB 3.88Å; M9-N41 HydrophobicContact CG-CB 4.04Å; E37-N41 WeakPolarHBondContact O-CB 3.5Å; E37-N41 PolarHBondContact O-N 3.44Å; E37-N41 PolarHBondContact O-ND2 2.9Å; E37-N41 PolarHBondContact OE2-ND2 3.24Å
42S98.2Very high98.2Very high54 Ų5437.6 Ų37.638%0.37821%0.206SC..Iπ-helixtrans-130.6-66.4176.8-78.90000112.7Y8 Y38 F44Y8-S42 PolarHBondContact OH-OG 2.75Å; Y38-S42 VanDerWaalsContact CE2-CB 3.5Å; Y38-S42 WeakPolarHBondContact O-CA 3.38Å; Y38-S42 WeakPolarHBondContact O-CB 3.33Å; Y38-S42 PolarHBondContact O-N 3.07Å; S42-F44 PolarHBondContact O-N 3.08Å
43Q98.3Very high98.2Very high49 Ų4938.8 Ų38.823%0.22921%0.211CC..Iπ-helixtrans-72.8-33.4-165.7-166.9174.416.400113.8Y38 F39 E172 R180Y38-Q43 HydrophobicContact CD1-CB 4.27Å; Y38-Q43 HydrophobicContact CE1-CB 3.92Å; Y38-Q43 PolarHBondContact O-N 3.03Å; F39-Q43 HydrophobicContact CD1-CB 4.37Å; Q43-E172 PolarHBondContact NE2-OE1 2.81Å; Q43-R180 PolarHBondContact O-NH2 3.25Å
44F98.3Very high98.2Very high1 Ų138.9 Ų38.90%0.00421%0.21CC..THydrogen-bonded Turntrans-128.629.4-179.1-54-76.2000111.8F39 S42 D46 C47 F53 C175 Q176 R180F39-F44 HydrophobicContact CB-CD2 3.96Å; F39-F44 HydrophobicContact CB-CE2 4.5Å; F39-F44 HydrophobicContact CD1-CD2 4.19Å; F39-F44 AromaticContact CD1-CE2 3.95Å; F39-F44 HydrophobicContact CD1-CE2 3.95Å; F39-F44 HydrophobicContact CG-CD2 4.31Å; F39-F44 HydrophobicContact CG-CE2 4.35Å; F39-F44 CarbonylContact O-C 3.58Å; F39-F44 WeakPolarHBondContact O-CA 3.16Å; F39-F44 WeakPolarHBondContact O-CB 3.45Å; F39-F44 PolarHBondContact O-N 3.46Å; S42-F44 PolarHBondContact O-N 3.08Å; F44-D46 VanDerWaalsContact C-N 3.27Å; F44-D46 PolarHBondContact O-N 3.35Å; F44-C47 HydrophobicContact CB-CB 4.43Å; F44-C47 WeakPolarHBondContact O-CA 3.34Å; F44-C47 WeakPolarHBondContact O-CB 3.41Å; F44-C47 PolarHBondContact O-N 2.96Å; F44-F53 HydrophobicContact CD2-CZ 4.31Å; F44-C175 HydrophobicContact CD1-CB 3.97Å; F44-C175 HydrophobicContact CD2-CB 3.96Å; F44-C175 HydrophobicContact CE1-CB 3.56Å; F44-C175 HydrophobicContact CE2-CB 3.54Å; F44-C175 HydrophobicContact CG-CB 4.16Å; F44-C175 HydrophobicContact CZ-CB 3.32Å; F44-Q176 HydrophobicContact CZ-CG 4.5Å; F44-R180 HydrophobicContact CE1-CG 4.36Å
45H97.8Very high98.1Very high106 Ų10640.2 Ų40.249%0.49122%0.22SC..G310 helixtrans-59.9-36.9-179.8176.759.4000112.9A40 C47 S48A40-H45 WeakPolarHBondContact O-CA 3.32Å; H45-C47 PolarHBondContact O-N 2.64Å; H45-C47 VanDerWaalsContact O-N 3.12Å; H45-S48 WeakPolarHBondContact O-CB 3.33Å; H45-S48 PolarHBondContact O-N 3.03Å; H45-S48 VanDerWaalsContact O-N 3.1Å; H45-S48 PolarHBondContact O-OG 3.22Å
46D97.9Very high98.1Very high114 Ų11440.5 Ų40.561%0.6122%0.222SC*.G310 helixtrans-63.5-12.8173.860.1-53.9000113.8F44 R180F44-D46 VanDerWaalsContact C-N 3.27Å; F44-D46 PolarHBondContact O-N 3.35Å; D46-R180 VanDerWaalsContact CG-NH2 3.31Å; D46-R180 IonicContact OD1-CZ 3.74Å; D46-R180 IonicContact OD1-NH1 3.64Å; D46-R180 IonicContact OD1-NH2 2.76Å; D46-R180 PolarHBondContact OD1-NH2 3.13Å; D46-R180 IonicContact OD2-CZ 3.29Å; D46-R180 VanDerWaalsContact OD2-CZ 3.3Å; D46-R180 IonicContact OD2-NH1 2.67Å; D46-R180 PolarHBondContact OD2-NH1 3.33Å; D46-R180 IonicContact OD2-NH2 3.58Å; D46-R180 PolarHBondContact OD2-NH2 2.9Å; D46-R180 VanDerWaalsContact OD2-NH2 3.14Å
47C97.4Very high98Very high10 Ų1044.3 Ų44.37%0.06824%0.239CC..G310 helixtrans-104.77.1177-540000112.9F44 H45 D49 D50 V51 F179 R180F44-C47 HydrophobicContact CB-CB 4.43Å; F44-C47 WeakPolarHBondContact O-CA 3.34Å; F44-C47 WeakPolarHBondContact O-CB 3.41Å; F44-C47 PolarHBondContact O-N 2.96Å; H45-C47 PolarHBondContact O-N 2.64Å; H45-C47 VanDerWaalsContact O-N 3.12Å; C47-D49 PolarHBondContact O-N 2.98Å; C47-D50 PolarHBondContact O-N 2.88Å; C47-V51 HydrophobicContact CB-CG1 4.02Å; C47-V51 WeakPolarHBondContact O-CG1 3.4Å; C47-V51 PolarHBondContact O-N 3.42Å; C47-V51 VanDerWaalsContact O-N 3.09Å; C47-F179 HydrophobicContact CB-CD1 4.23Å; C47-F179 HydrophobicContact CB-CG 4.25Å; C47-R180 PolarHBondContact SG-NH1 3.47Å
48S96.2Very high97.9Very high45 Ų4543.8 Ų43.832%0.31524%0.239SC..THydrogen-bonded Turntrans-57.2-25.8-171.161.20000114.1H45 D50 K83H45-S48 WeakPolarHBondContact O-CB 3.33Å; H45-S48 PolarHBondContact O-N 3.03Å; H45-S48 VanDerWaalsContact O-N 3.1Å; H45-S48 PolarHBondContact O-OG 3.22Å; S48-D50 VanDerWaalsContact C-N 3.33Å; S48-K83 PolarHBondContact O-NZ 2.9Å
49D97.1Very high97.9Very high131 Ų13141.7 Ų41.770%0.70123%0.231SC*.THydrogen-bonded Turntrans-70.7-30.7176.6-69.2-16.4000112C47 K83C47-D49 PolarHBondContact O-N 2.98Å; D49-K83 WeakPolarHBondContact O-CD 3.42Å; D49-K83 PolarHBondContact O-NZ 2.97Å
50D97.6Very high97.8Very high76 Ų7643.8 Ų43.841%0.40624%0.241SC..THydrogen-bonded Turntrans-97.3-26.7-175.2-74.1-45000114C47 S48 R84 V85 F179C47-D50 PolarHBondContact O-N 2.88Å; S48-D50 VanDerWaalsContact C-N 3.33Å; D50-R84 HydrophobicContact CB-CB 4.29Å; D50-R84 WeakPolarHBondContact O-CA 3.41Å; D50-R84 WeakPolarHBondContact O-CB 3.36Å; D50-R84 PolarHBondContact O-N 2.9Å; D50-V85 PolarHBondContact O-N 2.68Å; D50-F179 HydrophobicContact CB-CE1 4.02Å
51V98.4Very high97.8Very high6 Ų644.8 Ų44.84%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-124.3140.1-174.367.10000113C47 F53 V85 F87 F179C47-V51 HydrophobicContact CB-CG1 4.02Å; C47-V51 WeakPolarHBondContact O-CG1 3.4Å; C47-V51 PolarHBondContact O-N 3.42Å; C47-V51 VanDerWaalsContact O-N 3.09Å; V51-F53 HydrophobicContact CB-CE2 4.41Å; V51-F53 HydrophobicContact CG1-CE2 3.65Å; V51-F53 HydrophobicContact CG1-CZ 3.97Å; V51-F53 HydrophobicContact CG2-CD2 4.39Å; V51-F53 HydrophobicContact CG2-CE1 4.12Å; V51-F53 HydrophobicContact CG2-CE2 3.84Å; V51-F53 HydrophobicContact CG2-CZ 3.68Å; V51-V85 WeakPolarHBondContact CA-O 3.33Å; V51-V85 HydrophobicContact CG2-CB 4.2Å; V51-V85 HydrophobicContact CG2-CG1 4.47Å; V51-F87 HydrophobicContact CG2-CD2 3.69Å; V51-F87 HydrophobicContact CG2-CE2 3.63Å; V51-F179 HydrophobicContact CB-CE2 3.94Å; V51-F179 HydrophobicContact CB-CZ 3.74Å; V51-F179 HydrophobicContact CG1-CE2 4.22Å; V51-F179 HydrophobicContact CG1-CZ 4.31Å; V51-F179 HydrophobicContact CG2-CE2 4.13Å; V51-F179 HydrophobicContact CG2-CZ 4.25Å
52S98.5Very high97.7Very high18 Ų1842 Ų4213%0.12623%0.226CC..EExtended strand (participates in β ladder)trans-123.1139.3166.1-740000111.4K83 V85 V86 F87S52-K83 WeakPolarHBondContact OG-CD 3.29Å; S52-K83 VanDerWaalsContact OG-CE 3.31Å; S52-K83 WeakPolarHBondContact OG-CE 3.39Å; S52-K83 WeakPolarHBondContact OG-CG 2.98Å; S52-V85 PolarHBondContact N-O 2.74Å; S52-V86 WeakPolarHBondContact O-CA 3.44Å; S52-F87 PolarHBondContact O-N 2.92Å
53F98.7Very high97.7Very high26 Ų2639.8 Ų39.811%0.11421%0.209CC..EExtended strand (participates in β ladder)trans-111.2109175.1-56.1-87.3000108.6F36 F39 A40 F44 V51 F87 T171 C175F36-F53 HydrophobicContact CB-CB 3.82Å; F36-F53 HydrophobicContact CD2-CB 3.82Å; F36-F53 HydrophobicContact CG-CB 3.9Å; F39-F53 HydrophobicContact CB-CD1 4.18Å; F39-F53 HydrophobicContact CB-CD2 4.17Å; F39-F53 HydrophobicContact CB-CE1 3.88Å; F39-F53 HydrophobicContact CB-CE2 3.85Å; F39-F53 HydrophobicContact CB-CG 4.32Å; F39-F53 HydrophobicContact CB-CZ 3.7Å; F39-F53 HydrophobicContact CD2-CD1 4.24Å; F39-F53 HydrophobicContact CD2-CE1 4.14Å; F39-F53 HydrophobicContact CG-CE1 4.38Å; A40-F53 HydrophobicContact CB-CD2 3.83Å; A40-F53 HydrophobicContact CB-CE2 4.44Å; F44-F53 HydrophobicContact CD2-CZ 4.31Å; V51-F53 HydrophobicContact CB-CE2 4.41Å; V51-F53 HydrophobicContact CG1-CE2 3.65Å; V51-F53 HydrophobicContact CG1-CZ 3.97Å; V51-F53 HydrophobicContact CG2-CD2 4.39Å; V51-F53 HydrophobicContact CG2-CE1 4.12Å; V51-F53 HydrophobicContact CG2-CE2 3.84Å; V51-F53 HydrophobicContact CG2-CZ 3.68Å; F53-F87 HydrophobicContact CD1-CB 4.01Å; F53-F87 AromaticContact CD1-CD2 3.75Å; F53-F87 HydrophobicContact CD1-CD2 3.75Å; F53-F87 HydrophobicContact CD1-CG 4.14Å; F53-F87 AromaticContact CE1-CD2 3.55Å; F53-F87 HydrophobicContact CE1-CD2 3.55Å; F53-F87 AromaticContact CE1-CE2 3.96Å; F53-F87 HydrophobicContact CE1-CE2 3.96Å; F53-F87 HydrophobicContact CE1-CG 4.23Å; F53-F87 HydrophobicContact CZ-CD2 4.38Å; F53-T171 HydrophobicContact CD1-CG2 3.81Å; F53-T171 HydrophobicContact CE1-CG2 3.62Å; F53-C175 VanDerWaalsContact CE1-SG 3.58Å
54I98.5Very high97.5Very high5 Ų541 Ų413%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-88.6119.9-176.8-51-58.7000108.9F36 V58 T59 I62 L78 L80 V86 F87 L88F36-I54 VanDerWaalsContact CD2-O 3.28Å; F36-I54 WeakPolarHBondContact CD2-O 3.19Å; F36-I54 VanDerWaalsContact CE2-O 3.3Å; F36-I54 WeakPolarHBondContact CE2-O 3.47Å; I54-V58 HydrophobicContact CG2-CB 3.64Å; I54-V58 HydrophobicContact CG2-CG1 3.45Å; I54-V58 VanDerWaalsContact CG2-CG1 3.45Å; I54-T59 WeakPolarHBondContact CG2-OG1 3.47Å; I54-T59 PolarHBondContact O-OG1 2.91Å; I54-I62 HydrophobicContact CG2-CD1 4.37Å; I54-L78 HydrophobicContact CD1-CD1 3.82Å; I54-L80 HydrophobicContact CD1-CD1 4.12Å; I54-L80 HydrophobicContact CD1-CD2 3.83Å; I54-V86 HydrophobicContact CD1-CG1 4.07Å; I54-V86 HydrophobicContact CG1-CG1 3.56Å; I54-F87 WeakPolarHBondContact CB-O 3.25Å; I54-F87 PolarHBondContact N-O 3.14Å; I54-L88 HydrophobicContact CB-CB 4.42Å; I54-L88 HydrophobicContact CB-CD2 4.12Å; I54-L88 HydrophobicContact CB-CG 3.89Å; I54-L88 HydrophobicContact CG1-CD2 4.06Å; I54-L88 HydrophobicContact CG1-CG 3.85Å; I54-L88 HydrophobicContact CG2-CD2 4.21Å; I54-L88 HydrophobicContact CG2-CG 4.49Å
55S97.8Very high97.4Very high30 Ų3041.7 Ų41.721%0.2123%0.227CC..  trans-59.7158.4-17886.90000112E57 V58 T59S55-E57 WeakPolarHBondContact CB-OE2 3.46Å; S55-E57 PolarHBondContact O-N 3.28Å; S55-E57 PolarHBondContact OG-OE2 2.87Å; S55-V58 PolarHBondContact O-N 3.25Å; S55-V58 PolarHBondContact OG-N 2.86Å; S55-T59 WeakPolarHBondContact O-CB 3.22Å; S55-T59 PolarHBondContact O-N 2.92Å; S55-T59 PolarHBondContact O-OG1 3.37Å
56P98.3Very high97.2Very high5 Ų542 Ų423%0.03224%0.241CC..Hα-helixtrans-53.9-39.8175.9-27.436.3000113.6D29 I32 T59 Q60 A89 W103D29-P56 HydrophobicContact CB-CB 3.77Å; D29-P56 HydrophobicContact CB-CG 4.16Å; I32-P56 HydrophobicContact CB-CG 3.92Å; I32-P56 HydrophobicContact CG2-CG 3.87Å; P56-T59 PolarHBondContact O-N 2.84Å; P56-Q60 WeakPolarHBondContact O-CB 3.4Å; P56-Q60 PolarHBondContact O-N 2.91Å; P56-A89 HydrophobicContact CB-CB 4.49Å; P56-A89 HydrophobicContact CG-CB 4.04Å; P56-W103 HydrophobicContact CB-CH2 3.74Å; P56-W103 HydrophobicContact CB-CZ3 3.89Å; P56-W103 HydrophobicContact CG-CH2 4.43Å; P56-W103 HydrophobicContact CG-CZ3 4.46Å
57E96.7Very high97.1Very high84 Ų8440.5 Ų40.539%0.39323%0.233SC..Hα-helixtrans-67.4-45.1-178.4-52.584.7169.500111.4S55 T59 Q60 F61S55-E57 WeakPolarHBondContact CB-OE2 3.46Å; S55-E57 PolarHBondContact O-N 3.28Å; S55-E57 PolarHBondContact OG-OE2 2.87Å; E57-T59 VanDerWaalsContact C-N 3.34Å; E57-Q60 PolarHBondContact O-N 3.49Å; E57-F61 PolarHBondContact O-N 2.94Å
58V97.3Very high96.9Very high28 Ų2844.2 Ų44.217%0.1726%0.257CS..Hα-helixtrans-66.9-39175.81770000110.6I54 S55 Q60 F61 I62 F74 L75I54-V58 HydrophobicContact CG2-CB 3.64Å; I54-V58 HydrophobicContact CG2-CG1 3.45Å; I54-V58 VanDerWaalsContact CG2-CG1 3.45Å; S55-V58 PolarHBondContact O-N 3.25Å; S55-V58 PolarHBondContact OG-N 2.86Å; V58-Q60 VanDerWaalsContact C-N 3.32Å; V58-Q60 PolarHBondContact O-N 3.3Å; V58-F61 WeakPolarHBondContact O-CB 3.44Å; V58-F61 PolarHBondContact O-N 3.06Å; V58-I62 HydrophobicContact CG1-CD1 4.26Å; V58-I62 WeakPolarHBondContact O-CG1 3.44Å; V58-I62 PolarHBondContact O-N 3.46Å; V58-F74 HydrophobicContact CB-CE1 4.35Å; V58-F74 HydrophobicContact CG1-CD1 4.33Å; V58-F74 HydrophobicContact CG1-CE1 3.76Å; V58-F74 HydrophobicContact CG2-CE1 3.88Å; V58-F74 HydrophobicContact CG2-CZ 4.27Å; V58-L75 HydrophobicContact CG1-CD2 3.89Å
59T98.2Very high96.9Very high3 Ų344.7 Ų44.72%0.01826%0.264CS..Hα-helixtrans-62.2-41.7175.8-57.10000111.2I54 S55 P56 E57 I62 K63 L88 A89 I90 V132I54-T59 WeakPolarHBondContact CG2-OG1 3.47Å; I54-T59 PolarHBondContact O-OG1 2.91Å; S55-T59 WeakPolarHBondContact O-CB 3.22Å; S55-T59 PolarHBondContact O-N 2.92Å; S55-T59 PolarHBondContact O-OG1 3.37Å; P56-T59 PolarHBondContact O-N 2.84Å; E57-T59 VanDerWaalsContact C-N 3.34Å; T59-I62 PolarHBondContact O-N 3.38Å; T59-K63 PolarHBondContact O-N 2.88Å; T59-L88 HydrophobicContact CG2-CB 3.94Å; T59-L88 HydrophobicContact CG2-CD2 4.37Å; T59-A89 WeakPolarHBondContact CB-O 3.49Å; T59-A89 WeakPolarHBondContact CG2-O 3.46Å; T59-I90 HydrophobicContact CG2-CD1 3.71Å; T59-V132 HydrophobicContact CG2-CG1 4.35Å; T59-V132 HydrophobicContact CG2-CG2 4.37Å
60Q97.2Very high96.8Very high44 Ų4443 Ų4321%0.20625%0.251CS..Hα-helixtrans-65.4-40.4175-173.7684.700111.8P56 E57 V58 K63 C64 N93P56-Q60 WeakPolarHBondContact O-CB 3.4Å; P56-Q60 PolarHBondContact O-N 2.91Å; E57-Q60 PolarHBondContact O-N 3.49Å; V58-Q60 VanDerWaalsContact C-N 3.32Å; V58-Q60 PolarHBondContact O-N 3.3Å; Q60-K63 WeakPolarHBondContact O-CB 3.3Å; Q60-K63 PolarHBondContact O-N 2.8Å; Q60-C64 PolarHBondContact NE2-SG 3.22Å; Q60-C64 VanDerWaalsContact NE2-SG 3.41Å; Q60-C64 WeakPolarHBondContact O-CB 3.41Å; Q60-C64 PolarHBondContact O-N 2.8Å; Q60-C64 PolarHBondContact O-SG 3.33Å; Q60-N93 PolarHBondContact NE2-O 2.85Å
61F96.7Very high96.7Very high47 Ų4739.7 Ų39.721%0.20623%0.233CC..Hα-helixtrans-57.2-50.2172.9167.2-96.8000111.2E57 V58 K63 C64 T65 E70 F74E57-F61 PolarHBondContact O-N 2.94Å; V58-F61 WeakPolarHBondContact O-CB 3.44Å; V58-F61 PolarHBondContact O-N 3.06Å; F61-K63 VanDerWaalsContact C-N 3.28Å; F61-K63 PolarHBondContact O-N 3.48Å; F61-C64 PolarHBondContact O-N 2.81Å; F61-T65 WeakPolarHBondContact CD2-OG1 3.4Å; F61-T65 HydrophobicContact CE2-CG2 4.4Å; F61-T65 WeakPolarHBondContact CE2-OG1 3.37Å; F61-T65 HydrophobicContact CZ-CG2 4.28Å; F61-T65 WeakPolarHBondContact O-CB 3.34Å; F61-T65 PolarHBondContact O-N 2.64Å; F61-T65 PolarHBondContact O-OG1 3.32Å; F61-E70 HydrophobicContact CZ-CG 4.2Å; F61-F74 HydrophobicContact CD1-CB 4.45Å; F61-F74 AromaticContact CD1-CD1 3.7Å; F61-F74 HydrophobicContact CD1-CD1 3.7Å; F61-F74 HydrophobicContact CD1-CE1 4.15Å; F61-F74 HydrophobicContact CD1-CG 4.03Å; F61-F74 HydrophobicContact CE1-CB 3.5Å; F61-F74 AromaticContact CE1-CD1 3.6Å; F61-F74 HydrophobicContact CE1-CD1 3.6Å; F61-F74 HydrophobicContact CE1-CD2 4.25Å; F61-F74 HydrophobicContact CE1-CE1 4.44Å; F61-F74 AromaticContact CE1-CG 3.5Å; F61-F74 HydrophobicContact CE1-CG 3.5Å; F61-F74 HydrophobicContact CZ-CB 3.8Å; F61-F74 HydrophobicContact CZ-CD1 4.42Å; F61-F74 HydrophobicContact CZ-CD2 4.29Å; F61-F74 AromaticContact CZ-CG 3.91Å; F61-F74 HydrophobicContact CZ-CG 3.91Å
62I97.1Very high96.5Very high0 Ų041 Ų410%025%0.245CC..Hα-helixtrans-55.7-47.1175.7-63.1163.1000109.9I54 V58 T59 C64 I71 L75 L88 V132 K135 L136I54-I62 HydrophobicContact CG2-CD1 4.37Å; V58-I62 HydrophobicContact CG1-CD1 4.26Å; V58-I62 WeakPolarHBondContact O-CG1 3.44Å; V58-I62 PolarHBondContact O-N 3.46Å; T59-I62 PolarHBondContact O-N 3.38Å; I62-C64 PolarHBondContact O-N 2.81Å; I62-I71 HydrophobicContact CG1-CG2 4.5Å; I62-L75 HydrophobicContact CD1-CD1 3.96Å; I62-L75 HydrophobicContact CD1-CD2 3.94Å; I62-L75 HydrophobicContact CG1-CD1 4.09Å; I62-L75 HydrophobicContact CG1-CD2 4.2Å; I62-L88 HydrophobicContact CD1-CD2 4.08Å; I62-V132 HydrophobicContact CG2-CG1 4.15Å; I62-K135 HydrophobicContact CG2-CB 4.02Å; I62-K135 HydrophobicContact CG2-CD 4.34Å; I62-K135 WeakPolarHBondContact O-CD 3.41Å; I62-K135 PolarHBondContact O-NZ 3.31Å; I62-L136 HydrophobicContact CD1-CD1 4.26Å
63K97Very high96.3Very high7 Ų746.8 Ų46.83%0.0327%0.272CS..Hα-helixtrans-61.6-39.8-179.1-163.7-178.578.6-166.80113.1T59 Q60 F61 N91 N93 H128 Q131 V132 K135T59-K63 PolarHBondContact O-N 2.88Å; Q60-K63 WeakPolarHBondContact O-CB 3.3Å; Q60-K63 PolarHBondContact O-N 2.8Å; F61-K63 VanDerWaalsContact C-N 3.28Å; F61-K63 PolarHBondContact O-N 3.48Å; K63-N91 PolarHBondContact NZ-O 2.92Å; K63-N93 WeakPolarHBondContact CE-O 3.28Å; K63-N93 PolarHBondContact NZ-O 2.95Å; K63-H128 HydrophobicContact CD-CB 4.08Å; K63-Q131 HydrophobicContact CG-CG 4.43Å; K63-Q131 PolarHBondContact O-NE2 2.87Å; K63-V132 HydrophobicContact CB-CG2 3.65Å; K63-V132 HydrophobicContact CD-CG2 4.31Å; K63-V132 HydrophobicContact CG-CG2 3.83Å; K63-K135 PolarHBondContact O-NZ 3.09Å
64C95.4Very high96.1Very high75 Ų7550.3 Ų50.351%0.50729%0.287SS..Hα-helixtrans-89.4-29-173.8-69.40000114.1Q60 F61 I62 S66Q60-C64 PolarHBondContact NE2-SG 3.22Å; Q60-C64 VanDerWaalsContact NE2-SG 3.41Å; Q60-C64 WeakPolarHBondContact O-CB 3.41Å; Q60-C64 PolarHBondContact O-N 2.8Å; Q60-C64 PolarHBondContact O-SG 3.33Å; F61-C64 PolarHBondContact O-N 2.81Å; I62-C64 PolarHBondContact O-N 2.81Å; C64-S66 PolarHBondContact O-N 3.28Å
65T95.6Very high96Very high16 Ų1650.1 Ų50.110%0.09829%0.286CS..  trans-73.3123.9-175.5-62.10000111.8F61 E70 I71 K135F61-T65 WeakPolarHBondContact CD2-OG1 3.4Å; F61-T65 HydrophobicContact CE2-CG2 4.4Å; F61-T65 WeakPolarHBondContact CE2-OG1 3.37Å; F61-T65 HydrophobicContact CZ-CG2 4.28Å; F61-T65 WeakPolarHBondContact O-CB 3.34Å; F61-T65 PolarHBondContact O-N 2.64Å; F61-T65 PolarHBondContact O-OG1 3.32Å; T65-E70 HydrophobicContact CG2-CB 4Å; T65-E70 HydrophobicContact CG2-CG 4.1Å; T65-I71 HydrophobicContact CG2-CD1 4.35Å; T65-I71 HydrophobicContact CG2-CG1 3.71Å; T65-K135 WeakPolarHBondContact O-CE 3.28Å; T65-K135 PolarHBondContact O-NZ 3.33Å
66S94.3Very high95.7Very high112 Ų11255.4 Ų55.478%0.78331%0.307SS*.  trans-86.9-24.1-178.1-60.30000113.3C64 P68C64-S66 PolarHBondContact O-N 3.28Å; S66-P68 VanDerWaalsContact O-CD 3.32Å; S66-P68 WeakPolarHBondContact O-CD 3.46Å
67N95.4Very high95.6Very high82 Ų8260.4 Ų60.444%0.43934%0.34SS..  trans-85.5113.8-177.3-177-0.6000111.2A69 E70 I71N67-A69 VanDerWaalsContact C-N 3.28Å; N67-A69 PolarHBondContact O-N 2.88Å; N67-A69 WeakPolarHBondContact OD1-CB 3.15Å; N67-A69 PolarHBondContact OD1-N 2.92Å; N67-A69 VanDerWaalsContact OD1-N 3.08Å; N67-E70 HydrophobicContact CB-CB 4.01Å; N67-E70 PolarHBondContact O-N 3.38Å; N67-I71 PolarHBondContact O-N 2.9Å
68P93.6Very high95.4Very high88 Ų8859.5 Ų59.557%0.57134%0.338SS*.Hα-helixtrans-63.9-30.3-179.7-21.934.6000113.7S66 E70 I71 A72S66-P68 VanDerWaalsContact O-CD 3.32Å; S66-P68 WeakPolarHBondContact O-CD 3.46Å; P68-E70 VanDerWaalsContact C-N 3.34Å; P68-I71 PolarHBondContact O-N 3.23Å; P68-A72 WeakPolarHBondContact O-CB 3.42Å; P68-A72 PolarHBondContact O-N 3.33Å
69A95.1Very high95.4Very high56 Ų5661.6 Ų61.646%0.46335%0.348SS..Hα-helixtrans-67.7-36.8178.500000111.7N67 A72 M73N67-A69 VanDerWaalsContact C-N 3.28Å; N67-A69 PolarHBondContact O-N 2.88Å; N67-A69 WeakPolarHBondContact OD1-CB 3.15Å; N67-A69 PolarHBondContact OD1-N 2.92Å; N67-A69 VanDerWaalsContact OD1-N 3.08Å; A69-A72 PolarHBondContact O-N 2.98Å; A69-M73 VanDerWaalsContact O-CG 3.3Å; A69-M73 WeakPolarHBondContact O-CG 3.49Å; A69-M73 PolarHBondContact O-N 3.31Å
70E95.8Very high95.3Very high94 Ų9461.5 Ų61.544%0.43935%0.347SS..Hα-helixtrans-68.1-41.7176.4-171.3-176.8164.300111.3F61 T65 N67 P68 A72 F74F61-E70 HydrophobicContact CZ-CG 4.2Å; T65-E70 HydrophobicContact CG2-CB 4Å; T65-E70 HydrophobicContact CG2-CG 4.1Å; N67-E70 HydrophobicContact CB-CB 4.01Å; N67-E70 PolarHBondContact O-N 3.38Å; P68-E70 VanDerWaalsContact C-N 3.34Å; E70-A72 VanDerWaalsContact C-N 3.35Å; E70-F74 WeakPolarHBondContact O-CB 3.35Å; E70-F74 PolarHBondContact O-N 3.38Å; E70-F74 VanDerWaalsContact O-N 3.09Å
71I95.4Very high95.2Very high7 Ų761.8 Ų61.84%0.03635%0.353CS..Hα-helixtrans-58.7-49.2172.2-63.5173.4000110I62 T65 N67 P68 M73 F74 L75 K135I62-I71 HydrophobicContact CG1-CG2 4.5Å; T65-I71 HydrophobicContact CG2-CD1 4.35Å; T65-I71 HydrophobicContact CG2-CG1 3.71Å; N67-I71 PolarHBondContact O-N 2.9Å; P68-I71 PolarHBondContact O-N 3.23Å; I71-M73 PolarHBondContact O-N 3.2Å; I71-F74 PolarHBondContact O-N 2.95Å; I71-L75 HydrophobicContact CG2-CD1 3.61Å; I71-L75 HydrophobicContact CG2-CG 4.18Å; I71-L75 WeakPolarHBondContact O-CG 3.34Å; I71-L75 PolarHBondContact O-N 3.25Å; I71-K135 HydrophobicContact CD1-CB 4.26Å; I71-K135 HydrophobicContact CD1-CD 3.88Å; I71-K135 HydrophobicContact CD1-CG 4.35Å
72A94.8Very high95.1Very high33 Ų3365.6 Ų65.627%0.27337%0.371SS..Hα-helixtrans-60.3-47.2-177.900000112.1P68 A69 E70 F74 L75 E76 F139P68-A72 WeakPolarHBondContact O-CB 3.42Å; P68-A72 PolarHBondContact O-N 3.33Å; A69-A72 PolarHBondContact O-N 2.98Å; E70-A72 VanDerWaalsContact C-N 3.35Å; A72-F74 VanDerWaalsContact C-N 3.29Å; A72-F74 PolarHBondContact O-N 3.45Å; A72-L75 PolarHBondContact O-N 3.45Å; A72-E76 WeakPolarHBondContact O-CB 3.43Å; A72-E76 PolarHBondContact O-N 3.04Å; A72-F139 HydrophobicContact CB-CD2 3.76Å; A72-F139 HydrophobicContact CB-CE2 3.84Å
73M94.3Very high95.1Very high140 Ų14066.6 Ų66.669%0.6938%0.375SS*.Hα-helixtrans-60.3-38.6177.4-73.217864.700112.5A69 I71A69-M73 VanDerWaalsContact O-CG 3.3Å; A69-M73 WeakPolarHBondContact O-CG 3.49Å; A69-M73 PolarHBondContact O-N 3.31Å; I71-M73 PolarHBondContact O-N 3.2Å
74F94.6Very high95.2Very high101 Ų10170.8 Ų70.844%0.44339%0.391SS..Hα-helixtrans-72.4-35.4179.8-172.2-90.5000112.6V58 F61 E70 I71 A72 P77V58-F74 HydrophobicContact CB-CE1 4.35Å; V58-F74 HydrophobicContact CG1-CD1 4.33Å; V58-F74 HydrophobicContact CG1-CE1 3.76Å; V58-F74 HydrophobicContact CG2-CE1 3.88Å; V58-F74 HydrophobicContact CG2-CZ 4.27Å; F61-F74 HydrophobicContact CD1-CB 4.45Å; F61-F74 AromaticContact CD1-CD1 3.7Å; F61-F74 HydrophobicContact CD1-CD1 3.7Å; F61-F74 HydrophobicContact CD1-CE1 4.15Å; F61-F74 HydrophobicContact CD1-CG 4.03Å; F61-F74 HydrophobicContact CE1-CB 3.5Å; F61-F74 AromaticContact CE1-CD1 3.6Å; F61-F74 HydrophobicContact CE1-CD1 3.6Å; F61-F74 HydrophobicContact CE1-CD2 4.25Å; F61-F74 HydrophobicContact CE1-CE1 4.44Å; F61-F74 AromaticContact CE1-CG 3.5Å; F61-F74 HydrophobicContact CE1-CG 3.5Å; F61-F74 HydrophobicContact CZ-CB 3.8Å; F61-F74 HydrophobicContact CZ-CD1 4.42Å; F61-F74 HydrophobicContact CZ-CD2 4.29Å; F61-F74 AromaticContact CZ-CG 3.91Å; F61-F74 HydrophobicContact CZ-CG 3.91Å; E70-F74 WeakPolarHBondContact O-CB 3.35Å; E70-F74 PolarHBondContact O-N 3.38Å; E70-F74 VanDerWaalsContact O-N 3.09Å; I71-F74 PolarHBondContact O-N 2.95Å; A72-F74 VanDerWaalsContact C-N 3.29Å; A72-F74 PolarHBondContact O-N 3.45Å; F74-P77 WeakPolarHBondContact O-CD 3.45Å
75L94.8Very high95.3Very high0 Ų067.3 Ų67.30%037%0.367CS..Hα-helixtrans-88.3-14.4-178.2-61.3-178.9000114V58 I62 I71 A72 P77 L78 L80 L136 F139V58-L75 HydrophobicContact CG1-CD2 3.89Å; I62-L75 HydrophobicContact CD1-CD1 3.96Å; I62-L75 HydrophobicContact CD1-CD2 3.94Å; I62-L75 HydrophobicContact CG1-CD1 4.09Å; I62-L75 HydrophobicContact CG1-CD2 4.2Å; I71-L75 HydrophobicContact CG2-CD1 3.61Å; I71-L75 HydrophobicContact CG2-CG 4.18Å; I71-L75 WeakPolarHBondContact O-CG 3.34Å; I71-L75 PolarHBondContact O-N 3.25Å; A72-L75 PolarHBondContact O-N 3.45Å; L75-P77 VanDerWaalsContact C-CD 3.42Å; L75-P77 VanDerWaalsContact C-N 3.34Å; L75-L78 HydrophobicContact CD2-CD1 3.85Å; L75-L78 WeakPolarHBondContact O-CB 3.35Å; L75-L78 PolarHBondContact O-N 3.37Å; L75-L80 HydrophobicContact CB-CD1 4.39Å; L75-L80 HydrophobicContact CD1-CD1 4.22Å; L75-L80 HydrophobicContact CD2-CD1 4.43Å; L75-L136 HydrophobicContact CD1-CD1 3.83Å; L75-F139 HydrophobicContact CB-CD1 4.4Å; L75-F139 HydrophobicContact CB-CE1 3.77Å; L75-F139 HydrophobicContact CB-CE2 4.37Å; L75-F139 HydrophobicContact CB-CZ 3.76Å; L75-F139 HydrophobicContact CD1-CD1 4.06Å; L75-F139 HydrophobicContact CD1-CE1 4.23Å; L75-F139 HydrophobicContact CD1-CG 4.47Å
76E93.3Very high95.5Very high141 Ų14166.5 Ų66.566%0.65936%0.363SS*.G310 helixtrans-51.3-43.4179.9-172.8170.9-161.300113.4A72 L78 D79A72-E76 WeakPolarHBondContact O-CB 3.43Å; A72-E76 PolarHBondContact O-N 3.04Å; E76-L78 PolarHBondContact O-N 3.45Å; E76-L78 VanDerWaalsContact O-N 3.16Å; E76-D79 PolarHBondContact O-N 3.38Å
77P94.8Very high95.7Very high111 Ų11161.2 Ų61.272%0.72133%0.325SS*.G310 helixtrans-65.2-18.4178.5-21.735000114.8F74 L75 D79F74-P77 WeakPolarHBondContact O-CD 3.45Å; L75-P77 VanDerWaalsContact C-CD 3.42Å; L75-P77 VanDerWaalsContact C-N 3.34Å; P77-D79 VanDerWaalsContact C-N 3.32Å
78L94Very high95.9Very high65 Ų6557.3 Ų57.334%0.3431%0.305SS..G310 helixtrans-84.7-8.3-176.9-56-179.4000113.2I54 L75 E76 L80I54-L78 HydrophobicContact CD1-CD1 3.82Å; L75-L78 HydrophobicContact CD2-CD1 3.85Å; L75-L78 WeakPolarHBondContact O-CB 3.35Å; L75-L78 PolarHBondContact O-N 3.37Å; E76-L78 PolarHBondContact O-N 3.45Å; E76-L78 VanDerWaalsContact O-N 3.16Å; L78-L80 HydrophobicContact CB-CD2 3.65Å; L78-L80 HydrophobicContact CB-CG 3.87Å; L78-L80 HydrophobicContact CD1-CD2 4.44Å; L78-L80 PolarHBondContact O-N 3.41Å
79D95.5Very high96.1Very high72 Ų7253.1 Ų53.139%0.38528%0.278SS..THydrogen-bonded Turntrans51.233.7178.4-162.132.2000114.2E76 P77 P81 H82E76-D79 PolarHBondContact O-N 3.38Å; P77-D79 VanDerWaalsContact C-N 3.32Å; D79-P81 VanDerWaalsContact C-N 3.26Å; D79-H82 PolarHBondContact O-N 3.23Å; D79-H82 IonicContact OD1-CE1 2.67Å; D79-H82 IonicContact OD1-CG 3.67Å; D79-H82 IonicContact OD1-ND1 3.4Å; D79-H82 PolarHBondContact OD1-ND1 2.91Å; D79-H82 WeakPolarHBondContact OD2-CB 3.44Å; D79-H82 IonicContact OD2-CG 2.81Å; D79-H82 IonicContact OD2-ND1 3.7Å; D79-H82 PolarHBondContact OD2-ND1 2.86Å
80L96.4Very high96.3Very high0 Ų050.5 Ų50.50%026%0.256CS..G310 helixtrans-55.7-34.1-179.1-47.9-177.1000113.4I54 L75 L78 H82 K83 V86 R110 L136 F139 L140I54-L80 HydrophobicContact CD1-CD1 4.12Å; I54-L80 HydrophobicContact CD1-CD2 3.83Å; L75-L80 HydrophobicContact CB-CD1 4.39Å; L75-L80 HydrophobicContact CD1-CD1 4.22Å; L75-L80 HydrophobicContact CD2-CD1 4.43Å; L78-L80 HydrophobicContact CB-CD2 3.65Å; L78-L80 HydrophobicContact CB-CG 3.87Å; L78-L80 HydrophobicContact CD1-CD2 4.44Å; L78-L80 PolarHBondContact O-N 3.41Å; L80-H82 PolarHBondContact O-N 2.9Å; L80-K83 HydrophobicContact CD2-CG 4.4Å; L80-K83 PolarHBondContact O-N 3.21Å; L80-V86 HydrophobicContact CD2-CG1 4.39Å; L80-V86 HydrophobicContact CD2-CG2 4.37Å; L80-R110 PolarHBondContact O-NH2 2.83Å; L80-L136 HydrophobicContact CD1-CD1 4.2Å; L80-F139 HydrophobicContact CB-CE1 4.1Å; L80-F139 HydrophobicContact CD1-CE1 4.26Å; L80-F139 HydrophobicContact CG-CE1 4.41Å; L80-L140 HydrophobicContact CB-CD2 3.71Å
81P94.9Very high96.4Very high50 Ų5046.6 Ų46.633%0.32524%0.238SC..G310 helixtrans-63.8-1.3172.3-23.435.9000115.5D79 R110 F139 L140D79-P81 VanDerWaalsContact C-N 3.26Å; P81-R110 PolarHBondContact O-NH1 2.86Å; P81-R110 PolarHBondContact O-NH2 2.82Å; P81-F139 HydrophobicContact CG-CE1 4.01Å; P81-F139 HydrophobicContact CG-CZ 4.1Å; P81-L140 HydrophobicContact CG-CD2 4.22Å
82H95.3Very high96.5Very high127 Ų12747.5 Ų47.559%0.58824%0.243SC*.G310 helixtrans-113-10.3165.8-62.693.2000114.8D79 L80 R110D79-H82 PolarHBondContact O-N 3.23Å; D79-H82 IonicContact OD1-CE1 2.67Å; D79-H82 IonicContact OD1-CG 3.67Å; D79-H82 IonicContact OD1-ND1 3.4Å; D79-H82 PolarHBondContact OD1-ND1 2.91Å; D79-H82 WeakPolarHBondContact OD2-CB 3.44Å; D79-H82 IonicContact OD2-CG 2.81Å; D79-H82 IonicContact OD2-ND1 3.7Å; D79-H82 PolarHBondContact OD2-ND1 2.86Å; L80-H82 PolarHBondContact O-N 2.9Å; H82-R110 VanDerWaalsContact C-CZ 3.42Å; H82-R110 VanDerWaalsContact N-NH2 3.17Å
83K97.8Very high96.5Very high22 Ų2246.9 Ų46.910%0.09624%0.235CC..  trans-74132.7179.6-55.2-62.7173.7-166.70113S48 D49 S52 L80 V86 R110S48-K83 PolarHBondContact O-NZ 2.9Å; D49-K83 WeakPolarHBondContact O-CD 3.42Å; D49-K83 PolarHBondContact O-NZ 2.97Å; S52-K83 WeakPolarHBondContact OG-CD 3.29Å; S52-K83 VanDerWaalsContact OG-CE 3.31Å; S52-K83 WeakPolarHBondContact OG-CE 3.39Å; S52-K83 WeakPolarHBondContact OG-CG 2.98Å; L80-K83 HydrophobicContact CD2-CG 4.4Å; L80-K83 PolarHBondContact O-N 3.21Å; K83-V86 HydrophobicContact CB-CG2 4Å; K83-R110 VanDerWaalsContact N-NH2 3.18Å; K83-R110 PolarHBondContact O-NE 2.94Å; K83-R110 PolarHBondContact O-NH2 2.79Å
84R97.8Very high96Very high94 Ų9444.7 Ų44.736%0.35523%0.234SC..SBendtrans-69.1-39.8174-174.7-179.2176-153.1-6.1111.8D50 R110 D111D50-R84 HydrophobicContact CB-CB 4.29Å; D50-R84 WeakPolarHBondContact O-CA 3.41Å; D50-R84 WeakPolarHBondContact O-CB 3.36Å; D50-R84 PolarHBondContact O-N 2.9Å; R84-R110 WeakPolarHBondContact O-CB 3.44Å; R84-R110 PolarHBondContact O-N 2.88Å; R84-D111 IonicContact CZ-OD2 3.65Å; R84-D111 IonicContact NE-OD2 3.61Å; R84-D111 PolarHBondContact NE-OD2 3.4Å; R84-D111 IonicContact NH2-OD2 3.56Å; R84-D111 PolarHBondContact NH2-OD2 3.48Å
85V98.6Very high95.1Very high2 Ų245.4 Ų45.41%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-130.9135.6-177.6-172.10000110.3D50 V51 S52 F87 V107 Y108 L109 F178 F179D50-V85 PolarHBondContact O-N 2.68Å; V51-V85 WeakPolarHBondContact CA-O 3.33Å; V51-V85 HydrophobicContact CG2-CB 4.2Å; V51-V85 HydrophobicContact CG2-CG1 4.47Å; S52-V85 PolarHBondContact N-O 2.74Å; V85-F87 HydrophobicContact CB-CE2 4.34Å; V85-F87 HydrophobicContact CG1-CD2 3.93Å; V85-F87 HydrophobicContact CG1-CE1 4.43Å; V85-F87 HydrophobicContact CG1-CE2 3.34Å; V85-F87 HydrophobicContact CG1-CZ 3.64Å; V85-V107 HydrophobicContact CG1-CG1 3.96Å; V85-Y108 WeakPolarHBondContact CA-O 3.36Å; V85-L109 HydrophobicContact CB-CD2 4.33Å; V85-L109 HydrophobicContact CG1-CD2 3.91Å; V85-L109 HydrophobicContact CG2-CD2 3.77Å; V85-F178 HydrophobicContact CG1-CD2 4.28Å; V85-F178 HydrophobicContact CG1-CE2 4.21Å; V85-F178 HydrophobicContact CG2-CD2 4.22Å; V85-F179 HydrophobicContact CB-CZ 4.23Å; V85-F179 HydrophobicContact CG2-CZ 3.87Å
86V98.8Very high94.1Very high0 Ų055.7 Ų55.70%029%0.29CS..EExtended strand (participates in β ladder)trans-128.8125172.7-172.60000109.5S52 I54 L80 K83 L88 V107 Y108S52-V86 WeakPolarHBondContact O-CA 3.44Å; I54-V86 HydrophobicContact CD1-CG1 4.07Å; I54-V86 HydrophobicContact CG1-CG1 3.56Å; L80-V86 HydrophobicContact CD2-CG1 4.39Å; L80-V86 HydrophobicContact CD2-CG2 4.37Å; K83-V86 HydrophobicContact CB-CG2 4Å; V86-L88 HydrophobicContact CB-CD1 4.47Å; V86-L88 HydrophobicContact CG1-CD1 3.89Å; V86-L88 HydrophobicContact CG1-CG 4.31Å; V86-V107 WeakPolarHBondContact O-CA 3.3Å; V86-Y108 HydrophobicContact CG2-CD1 4.28Å; V86-Y108 PolarHBondContact N-O 2.8Å; V86-Y108 PolarHBondContact O-N 3.04Å
87F98.9Very high93.8Very high0 Ų052 Ų520%028%0.284CS..EExtended strand (participates in β ladder)trans-103.8134.6176.2-66.2-85.9000110.2F36 V51 S52 F53 I54 V85 L105 V107 T171 L174 C175 F178F36-F87 HydrophobicContact CE2-CB 4.42Å; F36-F87 HydrophobicContact CZ-CB 4.39Å; V51-F87 HydrophobicContact CG2-CD2 3.69Å; V51-F87 HydrophobicContact CG2-CE2 3.63Å; S52-F87 PolarHBondContact O-N 2.92Å; F53-F87 HydrophobicContact CD1-CB 4.01Å; F53-F87 AromaticContact CD1-CD2 3.75Å; F53-F87 HydrophobicContact CD1-CD2 3.75Å; F53-F87 HydrophobicContact CD1-CG 4.14Å; F53-F87 AromaticContact CE1-CD2 3.55Å; F53-F87 HydrophobicContact CE1-CD2 3.55Å; F53-F87 AromaticContact CE1-CE2 3.96Å; F53-F87 HydrophobicContact CE1-CE2 3.96Å; F53-F87 HydrophobicContact CE1-CG 4.23Å; F53-F87 HydrophobicContact CZ-CD2 4.38Å; I54-F87 WeakPolarHBondContact CB-O 3.25Å; I54-F87 PolarHBondContact N-O 3.14Å; V85-F87 HydrophobicContact CB-CE2 4.34Å; V85-F87 HydrophobicContact CG1-CD2 3.93Å; V85-F87 HydrophobicContact CG1-CE1 4.43Å; V85-F87 HydrophobicContact CG1-CE2 3.34Å; V85-F87 HydrophobicContact CG1-CZ 3.64Å; F87-L105 HydrophobicContact CB-CD1 4.37Å; F87-L105 HydrophobicContact CD1-CD1 4.15Å; F87-L105 HydrophobicContact CD1-CD2 4.28Å; F87-V107 HydrophobicContact CD1-CB 4.4Å; F87-V107 HydrophobicContact CD1-CG1 4.06Å; F87-V107 HydrophobicContact CD1-CG2 3.66Å; F87-V107 HydrophobicContact CE1-CB 4.43Å; F87-V107 HydrophobicContact CE1-CG1 3.8Å; F87-V107 HydrophobicContact CE1-CG2 3.76Å; F87-V107 HydrophobicContact CZ-CG1 4.32Å; F87-T171 HydrophobicContact CB-CG2 4.33Å; F87-T171 HydrophobicContact CD1-CG2 3.91Å; F87-T171 HydrophobicContact CD2-CG2 4.35Å; F87-T171 HydrophobicContact CE1-CG2 4.28Å; F87-T171 HydrophobicContact CG-CG2 3.95Å; F87-L174 HydrophobicContact CE1-CB 3.94Å; F87-L174 HydrophobicContact CE1-CD1 3.93Å; F87-L174 HydrophobicContact CZ-CB 4.03Å; F87-C175 WeakPolarHBondContact CE2-SG 3.45Å; F87-F178 HydrophobicContact CZ-CD2 4.19Å; F87-F178 HydrophobicContact CZ-CE2 4.08Å
88L98.8Very high93.4Very high0 Ų052 Ų520%029%0.293CS..EExtended strand (participates in β ladder)trans-134130.3178.7-53.594.4000110.5I54 T59 I62 V86 I90 L106 V132 L136I54-L88 HydrophobicContact CB-CB 4.42Å; I54-L88 HydrophobicContact CB-CD2 4.12Å; I54-L88 HydrophobicContact CB-CG 3.89Å; I54-L88 HydrophobicContact CG1-CD2 4.06Å; I54-L88 HydrophobicContact CG1-CG 3.85Å; I54-L88 HydrophobicContact CG2-CD2 4.21Å; I54-L88 HydrophobicContact CG2-CG 4.49Å; T59-L88 HydrophobicContact CG2-CB 3.94Å; T59-L88 HydrophobicContact CG2-CD2 4.37Å; I62-L88 HydrophobicContact CD1-CD2 4.08Å; V86-L88 HydrophobicContact CB-CD1 4.47Å; V86-L88 HydrophobicContact CG1-CD1 3.89Å; V86-L88 HydrophobicContact CG1-CG 4.31Å; L88-I90 HydrophobicContact CB-CD1 4.49Å; L88-L106 HydrophobicContact CB-CB 4.37Å; L88-L106 HydrophobicContact CD1-CD2 4.44Å; L88-L106 HydrophobicContact CD1-CG 4.49Å; L88-L106 PolarHBondContact N-O 3.34Å; L88-L106 PolarHBondContact O-N 3.48Å; L88-V132 HydrophobicContact CD2-CG1 3.91Å; L88-L136 HydrophobicContact CD1-CD2 3.96Å; L88-L136 HydrophobicContact CD2-CD2 4.1Å
89A98.7Very high93.3Very high1 Ų151.3 Ų51.31%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-85.4110.5175.500000110.5I32 F36 P56 T59 W103 V167I32-A89 HydrophobicContact CG2-CB 3.8Å; F36-A89 HydrophobicContact CE2-CB 4.11Å; F36-A89 HydrophobicContact CZ-CB 4.23Å; P56-A89 HydrophobicContact CB-CB 4.49Å; P56-A89 HydrophobicContact CG-CB 4.04Å; T59-A89 WeakPolarHBondContact CB-O 3.49Å; T59-A89 WeakPolarHBondContact CG2-O 3.46Å; A89-W103 HydrophobicContact CB-CE3 4.48Å; A89-W103 HydrophobicContact CB-CZ3 4.41Å; A89-V167 HydrophobicContact CB-CG1 4.13Å
90I98.7Very high93.2Very high1 Ų149.1 Ų49.11%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-91.5131.3-175.6-54.3-65.7000110.2T59 L88 W103 S104 L106 N125 H128 A129 V132T59-I90 HydrophobicContact CG2-CD1 3.71Å; L88-I90 HydrophobicContact CB-CD1 4.49Å; I90-W103 CarbonylContact O-C 3.6Å; I90-W103 WeakPolarHBondContact O-CA 3.38Å; I90-S104 WeakPolarHBondContact CB-OG 3.4Å; I90-S104 PolarHBondContact N-O 3.15Å; I90-S104 PolarHBondContact O-N 2.89Å; I90-L106 HydrophobicContact CD1-CB 3.83Å; I90-L106 HydrophobicContact CD1-CD2 4.05Å; I90-L106 HydrophobicContact CG1-CB 3.67Å; I90-N125 HydrophobicContact CG2-CB 4.25Å; I90-N125 PolarHBondContact O-ND2 3.37Å; I90-H128 HydrophobicContact CG2-CB 3.73Å; I90-A129 HydrophobicContact CG1-CB 4.26Å; I90-A129 HydrophobicContact CG2-CB 4.32Å; I90-V132 HydrophobicContact CD1-CB 3.88Å; I90-V132 HydrophobicContact CD1-CG1 4.01Å; I90-V132 HydrophobicContact CD1-CG2 3.83Å
91N98.3Very high93.1Very high11 Ų1153.3 Ų53.36%0.05932%0.322CS..EExtended strand (participates in β ladder)trans-115.4153.3171.5-162.1-93.3000111K63 N93 G100 H102 W103K63-N91 PolarHBondContact NZ-O 2.92Å; N91-N93 WeakPolarHBondContact OD1-CB 3.13Å; N91-N93 PolarHBondContact OD1-N 3.35Å; N91-G100 WeakPolarHBondContact OD1-CA 3.49Å; N91-H102 WeakPolarHBondContact CA-O 3.36Å; N91-W103 HydrophobicContact CB-CE3 3.85Å; N91-W103 HydrophobicContact CB-CH2 3.81Å; N91-W103 HydrophobicContact CB-CZ3 3.47Å; N91-W103 VanDerWaalsContact CB-CZ3 3.47Å; N91-W103 VanDerWaalsContact ND2-CH2 3.34Å; N91-W103 WeakPolarHBondContact ND2-CH2 3.2Å; N91-W103 WeakPolarHBondContact ND2-CZ2 3.5Å
92D96.7Very high93.2Very high27 Ų2751.4 Ų51.414%0.14431%0.309CS..  trans-86.8-4.4175.361.2-12.2000115S94 G100 T101 H102 N125 H128D92-S94 PolarHBondContact O-N 3.21Å; D92-G100 VanDerWaalsContact OD1-CA 3.28Å; D92-G100 WeakPolarHBondContact OD1-CA 3.2Å; D92-T101 PolarHBondContact OD1-N 2.92Å; D92-T101 PolarHBondContact OD2-N 3.3Å; D92-T101 PolarHBondContact OD2-OG1 2.89Å; D92-H102 PolarHBondContact N-O 3.44Å; D92-H102 PolarHBondContact OD1-N 3.21Å; D92-H102 VanDerWaalsContact OD1-N 3.1Å; D92-H102 PolarHBondContact OD2-N 3.16Å; D92-N125 WeakPolarHBondContact CB-OD1 3.28Å; D92-H128 VanDerWaalsContact CA-CD2 3.42Å; D92-H128 WeakPolarHBondContact CA-CD2 3.45Å; D92-H128 WeakPolarHBondContact CA-NE2 3.25Å; D92-H128 PolarHBondContact O-CE1 2.85Å; D92-H128 VanDerWaalsContact O-CE1 3.31Å; D92-H128 PolarHBondContact O-NE2 3.43Å
93N95.3Very high93.4Very high20 Ų2046.7 Ų46.711%0.10729%0.286CS..  trans-59.5116.2-178.8-170.817.4000111.3Q60 K63 N91 N95 A97 G99Q60-N93 PolarHBondContact NE2-O 2.85Å; K63-N93 WeakPolarHBondContact CE-O 3.28Å; K63-N93 PolarHBondContact NZ-O 2.95Å; N91-N93 WeakPolarHBondContact OD1-CB 3.13Å; N91-N93 PolarHBondContact OD1-N 3.35Å; N93-N95 PolarHBondContact OD1-N 3.02Å; N93-N95 VanDerWaalsContact OD1-N 3.1Å; N93-A97 PolarHBondContact ND2-O 3.5Å; N93-G99 WeakPolarHBondContact CB-O 3.3Å; N93-G99 PolarHBondContact ND2-N 2.96Å; N93-G99 PolarHBondContact ND2-O 3.15Å
94S84.9Confident93.4Very high94 Ų9445.7 Ų45.766%0.65728%0.281SS*.  trans-112.6-2.9177.749.20000112.4D92D92-S94 PolarHBondContact O-N 3.21Å
95N74.9Confident93.5Very high116 Ų11641.2 Ų41.262%0.6227%0.265SS*.SBendtrans-86.4157.5-177.1-65.7-20.1000111N93 A97N93-N95 PolarHBondContact OD1-N 3.02Å; N93-N95 VanDerWaalsContact OD1-N 3.1Å; N95-A97 PolarHBondContact O-N 3.38Å
96Q73.9Confident93.5Very high215 Ų21541.1 Ų41.1100%1.00526%0.264SS*.SBendtrans-73.2-5.9171.3-64.5-175.510.500113
97A86.8Confident93.5Very high64 Ų6441.2 Ų41.253%0.52927%0.265SS..SBendtrans-98.5156.7176.300000111.1N93 N95 G99N93-A97 PolarHBondContact ND2-O 3.5Å; N95-A97 PolarHBondContact O-N 3.38Å; A97-G99 PolarHBondContact O-N 3.09Å
98A86.2Confident93.5Very high110 Ų11041.6 Ų41.691%0.90927%0.266SS*.SBendtrans-58.7136.9169.700000110.4
99G91.4Very high93.5Very high51 Ų5142.7 Ų42.753%0.52627%0.272SS..  trans166.1-159.5-174.100000112.3N93 A97N93-G99 WeakPolarHBondContact CB-O 3.3Å; N93-G99 PolarHBondContact ND2-N 2.96Å; N93-G99 PolarHBondContact ND2-O 3.15Å; A97-G99 PolarHBondContact O-N 3.09Å
100G93.2Very high93.3Very high27 Ų2746.6 Ų46.628%0.27829%0.286SS..  trans121.4138.8-170.100000110.2N91 D92N91-G100 WeakPolarHBondContact OD1-CA 3.49Å; D92-G100 VanDerWaalsContact OD1-CA 3.28Å; D92-G100 WeakPolarHBondContact OD1-CA 3.2Å
101T95.2Very high93.1Very high88 Ų8851.9 Ų51.954%0.5432%0.315SS..SBendtrans-117.1-12.5179.972.70000114.4W26 D92W26-T101 WeakPolarHBondContact CH2-O 3.43Å; W26-T101 HydrophobicContact CZ3-CG2 4.48Å; D92-T101 PolarHBondContact OD1-N 2.92Å; D92-T101 PolarHBondContact OD2-N 3.3Å; D92-T101 PolarHBondContact OD2-OG1 2.89Å
102H97.9Very high92.9Very high10 Ų1057.7 Ų57.75%0.04634%0.339CS..  trans-149.9140.6-177.7-165.756.4000113.8N91 D92 D119 S124 N125 C163N91-H102 WeakPolarHBondContact CA-O 3.36Å; D92-H102 PolarHBondContact N-O 3.44Å; D92-H102 PolarHBondContact OD1-N 3.21Å; D92-H102 VanDerWaalsContact OD1-N 3.1Å; D92-H102 PolarHBondContact OD2-N 3.16Å; H102-D119 IonicContact CD2-OD1 2.84Å; H102-D119 IonicContact CE1-OD1 3.22Å; H102-D119 IonicContact NE2-OD1 2.74Å; H102-D119 PolarHBondContact NE2-OD1 3.4Å; H102-D119 IonicContact NE2-OD2 2.69Å; H102-S124 VanDerWaalsContact CD2-CB 3.5Å; H102-S124 WeakPolarHBondContact CD2-CB 3.45Å; H102-S124 PolarHBondContact CD2-OG 2.99Å; H102-N125 PolarHBondContact O-ND2 2.97Å; H102-C163 WeakPolarHBondContact CE1-CB 3.07Å; H102-C163 WeakPolarHBondContact ND1-CB 3.31Å
103W98.7Very high92.8Very high27 Ų2758.3 Ų58.310%0.10234%0.343CS..EExtended strand (participates in β ladder)trans-110.5140.4174.7-69109.4000110.8L27 D29 I32 P56 A89 I90 N91 C163 V167L27-W103 PolarHBondContact O-NE1 3.44Å; D29-W103 HydrophobicContact CB-CH2 4.41Å; I32-W103 HydrophobicContact CD1-CB 4.49Å; I32-W103 HydrophobicContact CD1-CD2 3.55Å; I32-W103 HydrophobicContact CD1-CE3 4.01Å; I32-W103 HydrophobicContact CD1-CG 3.77Å; I32-W103 HydrophobicContact CD1-CZ2 4.19Å; I32-W103 HydrophobicContact CD1-CZ3 4.48Å; P56-W103 HydrophobicContact CB-CH2 3.74Å; P56-W103 HydrophobicContact CB-CZ3 3.89Å; P56-W103 HydrophobicContact CG-CH2 4.43Å; P56-W103 HydrophobicContact CG-CZ3 4.46Å; A89-W103 HydrophobicContact CB-CE3 4.48Å; A89-W103 HydrophobicContact CB-CZ3 4.41Å; I90-W103 CarbonylContact O-C 3.6Å; I90-W103 WeakPolarHBondContact O-CA 3.38Å; N91-W103 HydrophobicContact CB-CE3 3.85Å; N91-W103 HydrophobicContact CB-CH2 3.81Å; N91-W103 HydrophobicContact CB-CZ3 3.47Å; N91-W103 VanDerWaalsContact CB-CZ3 3.47Å; N91-W103 VanDerWaalsContact ND2-CH2 3.34Å; N91-W103 WeakPolarHBondContact ND2-CH2 3.2Å; N91-W103 WeakPolarHBondContact ND2-CZ2 3.5Å; W103-C163 HydrophobicContact CB-CB 4.32Å; W103-V167 HydrophobicContact CB-CG2 3.93Å
104S98.8Very high92.8Very high1 Ų158.2 Ų58.21%0.00734%0.344CS..EExtended strand (participates in β ladder)trans-144.5170.8169.668.20000110.6I90 H117 N125 V167I90-S104 WeakPolarHBondContact CB-OG 3.4Å; I90-S104 PolarHBondContact N-O 3.15Å; I90-S104 PolarHBondContact O-N 2.89Å; S104-H117 VanDerWaalsContact CB-NE2 3.31Å; S104-H117 WeakPolarHBondContact CB-NE2 3.46Å; S104-H117 PolarHBondContact OG-NE2 3.3Å; S104-N125 PolarHBondContact N-ND2 3.08Å; S104-N125 WeakPolarHBondContact OG-CB 3.48Å; S104-N125 PolarHBondContact OG-ND2 3.04Å; S104-V167 VanDerWaalsContact C-CG2 3.41Å; S104-V167 WeakPolarHBondContact O-CG2 3.43Å
105L98.9Very high93.5Very high1 Ų153.7 Ų53.71%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-113.2131.3-176.3177.468.5000110.5F36 F87 V107 H117 Y118 V167 N170 T171 L174F36-L105 HydrophobicContact CZ-CD1 4.17Å; F87-L105 HydrophobicContact CB-CD1 4.37Å; F87-L105 HydrophobicContact CD1-CD1 4.15Å; F87-L105 HydrophobicContact CD1-CD2 4.28Å; L105-V107 HydrophobicContact CD2-CG2 3.89Å; L105-V107 HydrophobicContact CG-CG2 3.87Å; L105-H117 WeakPolarHBondContact O-CA 3.47Å; L105-H117 PolarHBondContact O-CD2 3.4Å; L105-Y118 PolarHBondContact N-O 2.79Å; L105-Y118 PolarHBondContact O-N 3.22Å; L105-V167 HydrophobicContact CB-CG1 4.27Å; L105-V167 HydrophobicContact CB-CG2 4.37Å; L105-V167 HydrophobicContact CD1-CG1 4.12Å; L105-N170 HydrophobicContact CD2-CB 3.77Å; L105-T171 WeakPolarHBondContact CD1-OG1 3.26Å; L105-T171 WeakPolarHBondContact CD2-OG1 3.41Å; L105-L174 HydrophobicContact CD2-CD1 4.18Å
106L98.9Very high94.6Very high0 Ų049 Ų490%029%0.286CS..EExtended strand (participates in β ladder)trans-110.2132.5168.7-176.166.5000109.5L88 I90 F115 H117 A129 V132 A133 F149L88-L106 HydrophobicContact CB-CB 4.37Å; L88-L106 HydrophobicContact CD1-CD2 4.44Å; L88-L106 HydrophobicContact CD1-CG 4.49Å; L88-L106 PolarHBondContact N-O 3.34Å; L88-L106 PolarHBondContact O-N 3.48Å; I90-L106 HydrophobicContact CD1-CB 3.83Å; I90-L106 HydrophobicContact CD1-CD2 4.05Å; I90-L106 HydrophobicContact CG1-CB 3.67Å; L106-F115 HydrophobicContact CD1-CB 4.01Å; L106-F115 HydrophobicContact CD1-CD1 4.17Å; L106-F115 HydrophobicContact CD2-CD1 4.05Å; L106-F115 HydrophobicContact CG-CD1 4.1Å; L106-H117 HydrophobicContact CD1-CB 4.27Å; L106-A129 HydrophobicContact CD1-CB 4.49Å; L106-V132 HydrophobicContact CD2-CB 4.16Å; L106-V132 HydrophobicContact CD2-CG1 3.91Å; L106-A133 HydrophobicContact CD2-CB 4.05Å; L106-F149 HydrophobicContact CD1-CD2 4.39Å; L106-F149 HydrophobicContact CD1-CE2 3.84Å
107V98.8Very high95.8Very high2 Ų238.8 Ų38.81%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-124.4122.1-179.9-170.70000109.4V85 V86 F87 L105 L109 F115 F116 Y118 L174V85-V107 HydrophobicContact CG1-CG1 3.96Å; V86-V107 WeakPolarHBondContact O-CA 3.3Å; F87-V107 HydrophobicContact CD1-CB 4.4Å; F87-V107 HydrophobicContact CD1-CG1 4.06Å; F87-V107 HydrophobicContact CD1-CG2 3.66Å; F87-V107 HydrophobicContact CE1-CB 4.43Å; F87-V107 HydrophobicContact CE1-CG1 3.8Å; F87-V107 HydrophobicContact CE1-CG2 3.76Å; F87-V107 HydrophobicContact CZ-CG1 4.32Å; L105-V107 HydrophobicContact CD2-CG2 3.89Å; L105-V107 HydrophobicContact CG-CG2 3.87Å; V107-L109 HydrophobicContact CG1-CD2 4.17Å; V107-L109 HydrophobicContact CG1-CG 4.45Å; V107-F115 CarbonylContact O-C 3.58Å; V107-F115 WeakPolarHBondContact O-CA 3.48Å; V107-F116 HydrophobicContact CB-CB 4.45Å; V107-F116 PolarHBondContact N-O 3.45Å; V107-F116 PolarHBondContact O-N 3Å; V107-Y118 HydrophobicContact CG2-CD2 3.98Å; V107-Y118 HydrophobicContact CG2-CE2 3.98Å; V107-L174 HydrophobicContact CG2-CD1 3.98Å
108Y98.6Very high96.4Very high8 Ų837.1 Ų37.13%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-94.5130.8168.3174.5-102.6000109.9V85 V86 R110 N113 F115 L140V85-Y108 WeakPolarHBondContact CA-O 3.36Å; V86-Y108 HydrophobicContact CG2-CD1 4.28Å; V86-Y108 PolarHBondContact N-O 2.8Å; V86-Y108 PolarHBondContact O-N 3.04Å; Y108-R110 HydrophobicContact CE1-CB 3.96Å; Y108-N113 PolarHBondContact OH-OD1 3.2Å; Y108-F115 HydrophobicContact CD2-CD1 4.11Å; Y108-F115 HydrophobicContact CD2-CD2 4.08Å; Y108-F115 AromaticContact CD2-CE1 3.73Å; Y108-F115 HydrophobicContact CD2-CE1 3.73Å; Y108-F115 AromaticContact CD2-CE2 3.67Å; Y108-F115 HydrophobicContact CD2-CE2 3.67Å; Y108-F115 HydrophobicContact CD2-CG 4.28Å; Y108-F115 AromaticContact CD2-CZ 3.48Å; Y108-F115 HydrophobicContact CD2-CZ 3.48Å; Y108-F115 VanDerWaalsContact CD2-CZ 3.48Å; Y108-F115 HydrophobicContact CE2-CE2 4.07Å; Y108-F115 HydrophobicContact CE2-CZ 4.11Å; Y108-F115 HydrophobicContact CG-CE1 4.12Å; Y108-F115 HydrophobicContact CG-CZ 4.23Å; Y108-L140 HydrophobicContact CD1-CD1 3.75Å; Y108-L140 HydrophobicContact CD2-CD1 4.18Å; Y108-L140 HydrophobicContact CE1-CD1 3.72Å; Y108-L140 HydrophobicContact CE2-CD1 4.14Å; Y108-L140 HydrophobicContact CG-CD1 3.97Å
109L97.9Very high97Very high23 Ų2332.2 Ų32.212%0.1218%0.177CC..EExtended strand (participates in β ladder)trans-115.9114.5171-61.9-179.3000109.7V85 V107 D111 K112 N113 S114 F116 F178V85-L109 HydrophobicContact CB-CD2 4.33Å; V85-L109 HydrophobicContact CG1-CD2 3.91Å; V85-L109 HydrophobicContact CG2-CD2 3.77Å; V107-L109 HydrophobicContact CG1-CD2 4.17Å; V107-L109 HydrophobicContact CG1-CG 4.45Å; L109-D111 PolarHBondContact O-N 3.47Å; L109-K112 HydrophobicContact CD1-CD 4.4Å; L109-K112 PolarHBondContact O-N 2.87Å; L109-N113 PolarHBondContact O-N 2.8Å; L109-S114 PolarHBondContact N-O 2.73Å; L109-S114 PolarHBondContact O-N 2.81Å; L109-F116 HydrophobicContact CB-CD2 4.46Å; L109-F116 HydrophobicContact CB-CE2 4.03Å; L109-F116 HydrophobicContact CD1-CD2 3.87Å; L109-F116 HydrophobicContact CD1-CE2 3.61Å; L109-F116 HydrophobicContact CD1-CZ 4.4Å; L109-F116 HydrophobicContact CG-CD2 3.97Å; L109-F116 HydrophobicContact CG-CE2 3.92Å; L109-F178 HydrophobicContact CD1-CZ 4.24Å; L109-F178 HydrophobicContact CD2-CE2 3.97Å; L109-F178 HydrophobicContact CD2-CZ 3.89Å
110R95.8Very high97.3Very high82 Ų8230 Ų3031%0.30915%0.154SC..G310 helixtrans-59.1-44.7179.2179.4-172.8-64.3-105.3-30.1112.8L80 P81 H82 K83 R84 Y108 K112 N113L80-R110 PolarHBondContact O-NH2 2.83Å; P81-R110 PolarHBondContact O-NH1 2.86Å; P81-R110 PolarHBondContact O-NH2 2.82Å; H82-R110 VanDerWaalsContact C-CZ 3.42Å; H82-R110 VanDerWaalsContact N-NH2 3.17Å; K83-R110 VanDerWaalsContact N-NH2 3.18Å; K83-R110 PolarHBondContact O-NE 2.94Å; K83-R110 PolarHBondContact O-NH2 2.79Å; R84-R110 WeakPolarHBondContact O-CB 3.44Å; R84-R110 PolarHBondContact O-N 2.88Å; Y108-R110 HydrophobicContact CE1-CB 3.96Å; R110-K112 PolarHBondContact O-N 2.82Å; R110-N113 PolarHBondContact O-N 2.74Å
111D93.8Very high97.4Very high112 Ų11234.2 Ų34.260%0.59917%0.166SC*.G310 helixtrans-57.2-26.1-176.1-61.1-19.2000112.4R84 L109R84-D111 IonicContact CZ-OD2 3.65Å; R84-D111 IonicContact NE-OD2 3.61Å; R84-D111 PolarHBondContact NE-OD2 3.4Å; R84-D111 IonicContact NH2-OD2 3.56Å; R84-D111 PolarHBondContact NH2-OD2 3.48Å; L109-D111 PolarHBondContact O-N 3.47Å
112K93.4Very high97.2Very high133 Ų13334.6 Ų34.658%0.57817%0.173SC*.G310 helixtrans-106.7-5.2178.6-62-177.4-178.9176.40113.1L109 R110 S114 F116L109-K112 HydrophobicContact CD1-CD 4.4Å; L109-K112 PolarHBondContact O-N 2.87Å; R110-K112 PolarHBondContact O-N 2.82Å; K112-S114 PolarHBondContact O-N 3.33Å; K112-S114 PolarHBondContact O-OG 2.99Å; K112-F116 HydrophobicContact CD-CE2 4.12Å; K112-F116 HydrophobicContact CD-CZ 3.68Å
113N94.9Very high96.9Very high41 Ų4142.2 Ų42.222%0.21920%0.201CC..THydrogen-bonded Turntrans37.153-162.7-16548.5000112.2Y108 L109 R110 E137Y108-N113 PolarHBondContact OH-OD1 3.2Å; L109-N113 PolarHBondContact O-N 2.8Å; R110-N113 PolarHBondContact O-N 2.74Å; N113-E137 PolarHBondContact ND2-OE1 2.86Å
114S97.1Very high96.7Very high17 Ų1743.5 Ų43.512%0.11921%0.214CC..EExtended strand (participates in β ladder)trans-140147.6-169.7-66.70000112L109 K112 A148L109-S114 PolarHBondContact N-O 2.73Å; L109-S114 PolarHBondContact O-N 2.81Å; K112-S114 PolarHBondContact O-N 3.33Å; K112-S114 PolarHBondContact O-OG 2.99Å; S114-A148 WeakPolarHBondContact CA-O 3.37Å; S114-A148 VanDerWaalsContact OG-CB 3.28Å; S114-A148 WeakPolarHBondContact OG-CB 3.17Å
115F98.6Very high96.6Very high0 Ų043.5 Ų43.50%021%0.214CC..EExtended strand (participates in β ladder)trans-103135.6175.1-66.7-93000110.7L106 V107 Y108 A133 L136 E137 L147 A148 F149 V150L106-F115 HydrophobicContact CD1-CB 4.01Å; L106-F115 HydrophobicContact CD1-CD1 4.17Å; L106-F115 HydrophobicContact CD2-CD1 4.05Å; L106-F115 HydrophobicContact CG-CD1 4.1Å; V107-F115 CarbonylContact O-C 3.58Å; V107-F115 WeakPolarHBondContact O-CA 3.48Å; Y108-F115 HydrophobicContact CD2-CD1 4.11Å; Y108-F115 HydrophobicContact CD2-CD2 4.08Å; Y108-F115 AromaticContact CD2-CE1 3.73Å; Y108-F115 HydrophobicContact CD2-CE1 3.73Å; Y108-F115 AromaticContact CD2-CE2 3.67Å; Y108-F115 HydrophobicContact CD2-CE2 3.67Å; Y108-F115 HydrophobicContact CD2-CG 4.28Å; Y108-F115 AromaticContact CD2-CZ 3.48Å; Y108-F115 HydrophobicContact CD2-CZ 3.48Å; Y108-F115 VanDerWaalsContact CD2-CZ 3.48Å; Y108-F115 HydrophobicContact CE2-CE2 4.07Å; Y108-F115 HydrophobicContact CE2-CZ 4.11Å; Y108-F115 HydrophobicContact CG-CE1 4.12Å; Y108-F115 HydrophobicContact CG-CZ 4.23Å; F115-A133 HydrophobicContact CB-CB 4.14Å; F115-A133 HydrophobicContact CD1-CB 3.76Å; F115-A133 HydrophobicContact CD2-CB 4.06Å; F115-A133 HydrophobicContact CE1-CB 4.12Å; F115-A133 HydrophobicContact CE2-CB 4.41Å; F115-A133 HydrophobicContact CG-CB 3.71Å; F115-A133 HydrophobicContact CZ-CB 4.44Å; F115-L136 HydrophobicContact CE1-CB 4.02Å; F115-L136 HydrophobicContact CE1-CD2 3.84Å; F115-L136 HydrophobicContact CE1-CG 4.43Å; F115-L136 HydrophobicContact CZ-CB 3.96Å; F115-L136 HydrophobicContact CZ-CD2 4.31Å; F115-L136 HydrophobicContact CZ-CG 4.48Å; F115-E137 HydrophobicContact CE2-CB 3.98Å; F115-E137 WeakPolarHBondContact CE2-OE2 3.47Å; F115-E137 HydrophobicContact CZ-CB 4.38Å; F115-L147 HydrophobicContact CD2-CD1 3.69Å; F115-L147 HydrophobicContact CE2-CD1 3.83Å; F115-A148 PolarHBondContact N-O 2.92Å; F115-F149 HydrophobicContact CB-CD2 3.94Å; F115-F149 CarbonylContact O-C 3.47Å; F115-F149 WeakPolarHBondContact O-CA 3.3Å; F115-V150 PolarHBondContact O-N 3.41Å
116F98.7Very high96.6Very high17 Ų1744.5 Ų44.58%0.07522%0.221CC..EExtended strand (participates in β ladder)trans-123.4118.5-179.7-59.9-86.3000108.6V107 L109 K112 Y118 V150 E152V107-F116 HydrophobicContact CB-CB 4.45Å; V107-F116 PolarHBondContact N-O 3.45Å; V107-F116 PolarHBondContact O-N 3Å; L109-F116 HydrophobicContact CB-CD2 4.46Å; L109-F116 HydrophobicContact CB-CE2 4.03Å; L109-F116 HydrophobicContact CD1-CD2 3.87Å; L109-F116 HydrophobicContact CD1-CE2 3.61Å; L109-F116 HydrophobicContact CD1-CZ 4.4Å; L109-F116 HydrophobicContact CG-CD2 3.97Å; L109-F116 HydrophobicContact CG-CE2 3.92Å; K112-F116 HydrophobicContact CD-CE2 4.12Å; K112-F116 HydrophobicContact CD-CZ 3.68Å; F116-Y118 HydrophobicContact CB-CE2 3.85Å; F116-V150 WeakPolarHBondContact CA-O 3.44Å; F116-V150 HydrophobicContact CD1-CB 3.84Å; F116-V150 HydrophobicContact CD1-CG1 4.23Å; F116-V150 HydrophobicContact CD1-CG2 4.27Å; F116-V150 HydrophobicContact CE1-CB 4.1Å; F116-V150 HydrophobicContact CE1-CG1 4.48Å; F116-V150 HydrophobicContact CE1-CG2 4.02Å; F116-E152 HydrophobicContact CB-CG 3.93Å; F116-E152 HydrophobicContact CD1-CG 4.03Å; F116-E152 WeakPolarHBondContact CD1-OE1 3.36Å; F116-E152 HydrophobicContact CG-CG 4.47Å
117H98.8Very high96.5Very high0 Ų049.8 Ų49.80%025%0.253CS..EExtended strand (participates in β ladder)trans-102.6119.5-177.9179.2-128.9000110.1S104 L105 L106 D119 A129 F149 V150 E151 E152S104-H117 VanDerWaalsContact CB-NE2 3.31Å; S104-H117 WeakPolarHBondContact CB-NE2 3.46Å; S104-H117 PolarHBondContact OG-NE2 3.3Å; L105-H117 WeakPolarHBondContact O-CA 3.47Å; L105-H117 PolarHBondContact O-CD2 3.4Å; L106-H117 HydrophobicContact CD1-CB 4.27Å; H117-D119 IonicContact CE1-OD2 2.93Å; H117-A129 HydrophobicContact CB-CB 4.38Å; H117-A129 WeakPolarHBondContact CD2-CB 3.27Å; H117-A129 WeakPolarHBondContact NE2-CB 3.36Å; H117-F149 HydrophobicContact CB-CE1 4.28Å; H117-F149 HydrophobicContact CB-CE2 3.96Å; H117-F149 HydrophobicContact CB-CZ 3.52Å; H117-F149 AromaticContact CG-CZ 4Å; H117-V150 PolarHBondContact N-O 2.74Å; H117-E151 IonicContact CE1-OE2 3.77Å; H117-E151 IonicContact CG-OE2 3.65Å; H117-E151 IonicContact ND1-OE1 3.68Å; H117-E151 PolarHBondContact ND1-OE1 2.87Å; H117-E151 IonicContact ND1-OE2 2.71Å; H117-E151 PolarHBondContact ND1-OE2 2.81Å; H117-E152 WeakPolarHBondContact O-CB 3.43Å; H117-E152 PolarHBondContact O-N 2.96Å
118Y98.6Very high96.5Very high29 Ų2951.3 Ų51.311%0.11426%0.26CS..EExtended strand (participates in β ladder)trans-107.5110.6177.2-66.1-97.3000109.2L105 V107 F116 E152 A154 L174 L186L105-Y118 PolarHBondContact N-O 2.79Å; L105-Y118 PolarHBondContact O-N 3.22Å; V107-Y118 HydrophobicContact CG2-CD2 3.98Å; V107-Y118 HydrophobicContact CG2-CE2 3.98Å; F116-Y118 HydrophobicContact CB-CE2 3.85Å; Y118-E152 HydrophobicContact CD1-CB 3.8Å; Y118-E152 HydrophobicContact CD1-CG 4.42Å; Y118-E152 HydrophobicContact CD2-CB 4.4Å; Y118-E152 HydrophobicContact CD2-CG 4.44Å; Y118-E152 HydrophobicContact CE1-CB 3.64Å; Y118-E152 HydrophobicContact CE1-CG 3.87Å; Y118-E152 HydrophobicContact CE2-CB 4.28Å; Y118-E152 HydrophobicContact CE2-CG 3.92Å; Y118-E152 HydrophobicContact CG-CB 4.17Å; Y118-A154 HydrophobicContact CD1-CB 3.95Å; Y118-A154 HydrophobicContact CG-CB 4.44Å; Y118-L174 HydrophobicContact CD2-CD1 4.32Å; Y118-L174 HydrophobicContact CE2-CD1 3.88Å; Y118-L186 HydrophobicContact CD1-CD1 4.3Å; Y118-L186 HydrophobicContact CE1-CD1 3.78Å
119D98.6Very high96.5Very high7 Ų750.9 Ų50.94%0.03726%0.258CS..  trans-123.3117.9-178.6-164.5-23.6000110.4H102 H117 H121 S124 N125H102-D119 IonicContact CD2-OD1 2.84Å; H102-D119 IonicContact CE1-OD1 3.22Å; H102-D119 IonicContact NE2-OD1 2.74Å; H102-D119 PolarHBondContact NE2-OD1 3.4Å; H102-D119 IonicContact NE2-OD2 2.69Å; H117-D119 IonicContact CE1-OD2 2.93Å; D119-H121 PolarHBondContact O-N 3.29Å; D119-H121 VanDerWaalsContact OD1-C 3.29Å; D119-H121 WeakPolarHBondContact OD1-CA 3.3Å; D119-H121 PolarHBondContact OD1-N 3.33Å; D119-S124 PolarHBondContact OD2-N 2.76Å; D119-N125 PolarHBondContact OD2-N 3.35Å
120S97.9Very high96.5Very high6 Ų654.4 Ų54.44%0.04227%0.273CS..SBendtrans-69.4-17.9177.656.30000113P155 A156 Q157S120-P155 WeakPolarHBondContact CA-O 3.46Å; S120-P155 WeakPolarHBondContact CB-O 3.44Å; S120-A156 WeakPolarHBondContact O-CA 3.32Å; S120-Q157 PolarHBondContact O-N 3.19Å; S120-Q157 PolarHBondContact OG-OE1 2.95Å
121H95.7Very high96.6Very high114 Ų11453.9 Ų53.953%0.52827%0.274SS..SBendtrans-115.281.5165.5-167.941.1000109D119 R123 S124D119-H121 PolarHBondContact O-N 3.29Å; D119-H121 VanDerWaalsContact OD1-C 3.29Å; D119-H121 WeakPolarHBondContact OD1-CA 3.3Å; D119-H121 PolarHBondContact OD1-N 3.33Å; H121-R123 PolarHBondContact O-N 2.99Å; H121-S124 WeakPolarHBondContact O-CB 3.47Å; H121-S124 PolarHBondContact O-N 3.3Å
122S91.5Very high96.8Very high97 Ų9748.6 Ų48.668%0.67825%0.245SC*.THydrogen-bonded Turntrans-28.8116.3-172-173.80000114.6S124S122-S124 VanDerWaalsContact C-N 3.26Å; S122-S124 PolarHBondContact O-N 3.05Å
123R91.1Very high97Very high170 Ų17042.3 Ų42.364%0.64222%0.218SC*.THydrogen-bonded Turntrans67.18.7177.3-55.5-179177.2-142-2.9117.1H121 N125 S126 E151H121-R123 PolarHBondContact O-N 2.99Å; R123-N125 VanDerWaalsContact C-N 3.31Å; R123-N125 PolarHBondContact O-N 2.91Å; R123-S126 WeakPolarHBondContact CA-OG 3.45Å; R123-S126 VanDerWaalsContact CB-OG 3.27Å; R123-S126 WeakPolarHBondContact CB-OG 3.22Å; R123-S126 PolarHBondContact O-N 3.4Å; R123-S126 PolarHBondContact O-OG 3.4Å; R123-E151 HydrophobicContact CG-CG 4.49Å
124S94.5Very high97.1Very high54 Ų5445.1 Ų45.138%0.37823%0.23SC..THydrogen-bonded Turntrans-60-42.7177.1-171.50000111.6H102 D119 H121 S122H102-S124 VanDerWaalsContact CD2-CB 3.5Å; H102-S124 WeakPolarHBondContact CD2-CB 3.45Å; H102-S124 PolarHBondContact CD2-OG 2.99Å; D119-S124 PolarHBondContact OD2-N 2.76Å; H121-S124 WeakPolarHBondContact O-CB 3.47Å; H121-S124 PolarHBondContact O-N 3.3Å; S122-S124 VanDerWaalsContact C-N 3.26Å; S122-S124 PolarHBondContact O-N 3.05Å
125N97.3Very high97.1Very high0 Ų046.3 Ų46.30%023%0.233CC..THydrogen-bonded Turntrans-99.910.1-179.6-86.25.9000114.6I90 D92 H102 S104 D119 R123 V127 H128 A129I90-N125 HydrophobicContact CG2-CB 4.25Å; I90-N125 PolarHBondContact O-ND2 3.37Å; D92-N125 WeakPolarHBondContact CB-OD1 3.28Å; H102-N125 PolarHBondContact O-ND2 2.97Å; S104-N125 PolarHBondContact N-ND2 3.08Å; S104-N125 WeakPolarHBondContact OG-CB 3.48Å; S104-N125 PolarHBondContact OG-ND2 3.04Å; D119-N125 PolarHBondContact OD2-N 3.35Å; R123-N125 VanDerWaalsContact C-N 3.31Å; R123-N125 PolarHBondContact O-N 2.91Å; N125-V127 VanDerWaalsContact C-N 3.27Å; N125-V127 PolarHBondContact O-N 3.02Å; N125-V127 VanDerWaalsContact O-N 3.14Å; N125-H128 PolarHBondContact O-N 3Å; N125-A129 WeakPolarHBondContact O-CB 3.5Å; N125-A129 PolarHBondContact O-N 3.38Å
126S97.9Very high97Very high23 Ų2346.3 Ų46.316%0.16123%0.233CC..Hα-helixtrans-51.3-42.9-174.9-70.90000114R123 K130 E151R123-S126 WeakPolarHBondContact CA-OG 3.45Å; R123-S126 VanDerWaalsContact CB-OG 3.27Å; R123-S126 WeakPolarHBondContact CB-OG 3.22Å; R123-S126 PolarHBondContact O-N 3.4Å; R123-S126 PolarHBondContact O-OG 3.4Å; S126-K130 VanDerWaalsContact O-CB 3.22Å; S126-K130 WeakPolarHBondContact O-CB 3.37Å; S126-K130 PolarHBondContact O-N 2.92Å; S126-E151 WeakPolarHBondContact CB-OE1 3.48Å; S126-E151 VanDerWaalsContact OG-CD 3.28Å; S126-E151 PolarHBondContact OG-OE1 3.41Å
127V97.9Very high96.8Very high111 Ų11146.2 Ų46.267%0.67323%0.233SC*.Hα-helixtrans-63.8-45.5-179.21770000110.7N125 Q131N125-V127 VanDerWaalsContact C-N 3.27Å; N125-V127 PolarHBondContact O-N 3.02Å; N125-V127 VanDerWaalsContact O-N 3.14Å; V127-Q131 WeakPolarHBondContact O-CB 3.37Å; V127-Q131 PolarHBondContact O-N 3.02Å
128H98.3Very high96.6Very high33 Ų3350 Ų5015%0.15326%0.264CS..Hα-helixtrans-69.7-42.9-179.3-58-64.5000111.8K63 I90 D92 N125 Q131 V132K63-H128 HydrophobicContact CD-CB 4.08Å; I90-H128 HydrophobicContact CG2-CB 3.73Å; D92-H128 VanDerWaalsContact CA-CD2 3.42Å; D92-H128 WeakPolarHBondContact CA-CD2 3.45Å; D92-H128 WeakPolarHBondContact CA-NE2 3.25Å; D92-H128 PolarHBondContact O-CE1 2.85Å; D92-H128 VanDerWaalsContact O-CE1 3.31Å; D92-H128 PolarHBondContact O-NE2 3.43Å; N125-H128 PolarHBondContact O-N 3Å; H128-Q131 PolarHBondContact O-N 3.4Å; H128-V132 WeakPolarHBondContact O-CG2 3.49Å; H128-V132 PolarHBondContact O-N 3.49Å
129A98.5Very high96.3Very high0 Ų050.6 Ų50.60%027%0.267CS..Hα-helixtrans-62.4-44.5176.800000111.4I90 L106 H117 N125 V132 A133 F149I90-A129 HydrophobicContact CG1-CB 4.26Å; I90-A129 HydrophobicContact CG2-CB 4.32Å; L106-A129 HydrophobicContact CD1-CB 4.49Å; H117-A129 HydrophobicContact CB-CB 4.38Å; H117-A129 WeakPolarHBondContact CD2-CB 3.27Å; H117-A129 WeakPolarHBondContact NE2-CB 3.36Å; N125-A129 WeakPolarHBondContact O-CB 3.5Å; N125-A129 PolarHBondContact O-N 3.38Å; A129-V132 PolarHBondContact O-N 3.3Å; A129-A133 WeakPolarHBondContact O-CB 3.3Å; A129-A133 PolarHBondContact O-N 3.33Å; A129-F149 HydrophobicContact CB-CE2 4.07Å; A129-F149 HydrophobicContact CB-CZ 4.01Å
130K98.2Very high96Very high97 Ų9751.5 Ų51.542%0.42227%0.272SS..Hα-helixtrans-65.1-40.7176.7-169.8178.8179.4-170.50112.1S126 V132 A133 E134 L147 F149S126-K130 VanDerWaalsContact O-CB 3.22Å; S126-K130 WeakPolarHBondContact O-CB 3.37Å; S126-K130 PolarHBondContact O-N 2.92Å; K130-V132 VanDerWaalsContact C-N 3.34Å; K130-V132 PolarHBondContact O-N 3.09Å; K130-A133 PolarHBondContact O-N 3.21Å; K130-E134 VanDerWaalsContact CE-OE1 3.27Å; K130-E134 WeakPolarHBondContact CE-OE1 3.39Å; K130-E134 HydrophobicContact CG-CG 4.48Å; K130-E134 WeakPolarHBondContact O-CG 3.42Å; K130-E134 PolarHBondContact O-N 2.8Å; K130-L147 HydrophobicContact CG-CD2 4.18Å; K130-F149 HydrophobicContact CB-CE2 4.32Å; K130-F149 HydrophobicContact CB-CZ 4.34Å
131Q97.7Very high95.2Very high71 Ų7152.3 Ų52.333%0.33228%0.281SS..Hα-helixtrans-59.8-43.6176-177.2-176.39.600112.1K63 V127 H128 K135K63-Q131 HydrophobicContact CG-CG 4.43Å; K63-Q131 PolarHBondContact O-NE2 2.87Å; V127-Q131 WeakPolarHBondContact O-CB 3.37Å; V127-Q131 PolarHBondContact O-N 3.02Å; H128-Q131 PolarHBondContact O-N 3.4Å; Q131-K135 WeakPolarHBondContact O-CG 3.26Å; Q131-K135 PolarHBondContact O-N 2.92Å
132V98.2Very high94.4Very high1 Ų156.9 Ų56.91%0.00629%0.294CS..Hα-helixtrans-66.2-44175.2173.50000110.6T59 I62 K63 L88 I90 L106 H128 A129 K130 E134 K135 L136T59-V132 HydrophobicContact CG2-CG1 4.35Å; T59-V132 HydrophobicContact CG2-CG2 4.37Å; I62-V132 HydrophobicContact CG2-CG1 4.15Å; K63-V132 HydrophobicContact CB-CG2 3.65Å; K63-V132 HydrophobicContact CD-CG2 4.31Å; K63-V132 HydrophobicContact CG-CG2 3.83Å; L88-V132 HydrophobicContact CD2-CG1 3.91Å; I90-V132 HydrophobicContact CD1-CB 3.88Å; I90-V132 HydrophobicContact CD1-CG1 4.01Å; I90-V132 HydrophobicContact CD1-CG2 3.83Å; L106-V132 HydrophobicContact CD2-CB 4.16Å; L106-V132 HydrophobicContact CD2-CG1 3.91Å; H128-V132 WeakPolarHBondContact O-CG2 3.49Å; H128-V132 PolarHBondContact O-N 3.49Å; A129-V132 PolarHBondContact O-N 3.3Å; K130-V132 VanDerWaalsContact C-N 3.34Å; K130-V132 PolarHBondContact O-N 3.09Å; V132-E134 PolarHBondContact O-N 2.91Å; V132-K135 PolarHBondContact O-N 2.87Å; V132-L136 WeakPolarHBondContact O-CB 3.36Å; V132-L136 PolarHBondContact O-N 3.14Å
133A98.2Very high93.6Very high0 Ų062.9 Ų62.90%031%0.307CS..Hα-helixtrans-60.4-42.6178.900000112.6L106 F115 A129 K130 K135 L136 E137 L147 F149L106-A133 HydrophobicContact CD2-CB 4.05Å; F115-A133 HydrophobicContact CB-CB 4.14Å; F115-A133 HydrophobicContact CD1-CB 3.76Å; F115-A133 HydrophobicContact CD2-CB 4.06Å; F115-A133 HydrophobicContact CE1-CB 4.12Å; F115-A133 HydrophobicContact CE2-CB 4.41Å; F115-A133 HydrophobicContact CG-CB 3.71Å; F115-A133 HydrophobicContact CZ-CB 4.44Å; A129-A133 WeakPolarHBondContact O-CB 3.3Å; A129-A133 PolarHBondContact O-N 3.33Å; K130-A133 PolarHBondContact O-N 3.21Å; A133-K135 VanDerWaalsContact C-N 3.32Å; A133-K135 PolarHBondContact O-N 3.29Å; A133-L136 PolarHBondContact O-N 2.78Å; A133-E137 VanDerWaalsContact O-CB 3.31Å; A133-E137 WeakPolarHBondContact O-CB 3.19Å; A133-E137 PolarHBondContact O-N 3.17Å; A133-L147 HydrophobicContact CB-CD1 3.96Å; A133-F149 HydrophobicContact CB-CD2 3.83Å; A133-F149 HydrophobicContact CB-CE2 4.25Å
134E96.8Very high92.8Very high100 Ų10058.4 Ų58.447%0.46731%0.314SS..Hα-helixtrans-59.1-42.5176.4-76.8171.8179.800112.2K130 V132 A138 L147K130-E134 VanDerWaalsContact CE-OE1 3.27Å; K130-E134 WeakPolarHBondContact CE-OE1 3.39Å; K130-E134 HydrophobicContact CG-CG 4.48Å; K130-E134 WeakPolarHBondContact O-CG 3.42Å; K130-E134 PolarHBondContact O-N 2.8Å; V132-E134 PolarHBondContact O-N 2.91Å; E134-A138 PolarHBondContact O-N 3.3Å; E134-A138 VanDerWaalsContact O-N 3.13Å; E134-L147 HydrophobicContact CG-CD2 3.56Å
135K96.7Very high92.3Very high42 Ų4259.5 Ų59.518%0.18332%0.315CS..Hα-helixtrans-72.7-38.6179.1-68.8177.8175.8-170.50112.4I62 K63 T65 I71 Q131 V132 A133 A138 F139I62-K135 HydrophobicContact CG2-CB 4.02Å; I62-K135 HydrophobicContact CG2-CD 4.34Å; I62-K135 WeakPolarHBondContact O-CD 3.41Å; I62-K135 PolarHBondContact O-NZ 3.31Å; K63-K135 PolarHBondContact O-NZ 3.09Å; T65-K135 WeakPolarHBondContact O-CE 3.28Å; T65-K135 PolarHBondContact O-NZ 3.33Å; I71-K135 HydrophobicContact CD1-CB 4.26Å; I71-K135 HydrophobicContact CD1-CD 3.88Å; I71-K135 HydrophobicContact CD1-CG 4.35Å; Q131-K135 WeakPolarHBondContact O-CG 3.26Å; Q131-K135 PolarHBondContact O-N 2.92Å; V132-K135 PolarHBondContact O-N 2.87Å; A133-K135 VanDerWaalsContact C-N 3.32Å; A133-K135 PolarHBondContact O-N 3.29Å; K135-A138 PolarHBondContact O-N 3.13Å; K135-F139 PolarHBondContact O-N 2.91Å
136L95.9Very high91.8Very high0 Ų068.5 Ų68.50%035%0.354CS..Hα-helixtrans-71.6-35.9178.1-153.871.9000111.1I62 L75 L80 L88 F115 V132 A133 A138 F139 L140I62-L136 HydrophobicContact CD1-CD1 4.26Å; L75-L136 HydrophobicContact CD1-CD1 3.83Å; L80-L136 HydrophobicContact CD1-CD1 4.2Å; L88-L136 HydrophobicContact CD1-CD2 3.96Å; L88-L136 HydrophobicContact CD2-CD2 4.1Å; F115-L136 HydrophobicContact CE1-CB 4.02Å; F115-L136 HydrophobicContact CE1-CD2 3.84Å; F115-L136 HydrophobicContact CE1-CG 4.43Å; F115-L136 HydrophobicContact CZ-CB 3.96Å; F115-L136 HydrophobicContact CZ-CD2 4.31Å; F115-L136 HydrophobicContact CZ-CG 4.48Å; V132-L136 WeakPolarHBondContact O-CB 3.36Å; V132-L136 PolarHBondContact O-N 3.14Å; A133-L136 PolarHBondContact O-N 2.78Å; L136-A138 VanDerWaalsContact C-N 3.31Å; L136-A138 PolarHBondContact O-N 3.43Å; L136-F139 WeakPolarHBondContact O-CB 3.46Å; L136-F139 PolarHBondContact O-N 3.18Å; L136-F139 VanDerWaalsContact O-N 3.08Å; L136-L140 HydrophobicContact CD2-CD1 3.82Å; L136-L140 HydrophobicContact CG-CD1 3.68Å; L136-L140 HydrophobicContact CG-CG 4.12Å; L136-L140 WeakPolarHBondContact O-CB 3.21Å; L136-L140 VanDerWaalsContact O-CG 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.27Å; L136-L140 PolarHBondContact O-N 3.37Å
137E95.4Very high91.6Very high15 Ų1569.9 Ų69.97%0.0736%0.36CS..Hα-helixtrans-62.3-38.1171.1-175.363.1-166.800111.4N113 F115 A133 F139 G141 D145 L147N113-E137 PolarHBondContact ND2-OE1 2.86Å; F115-E137 HydrophobicContact CE2-CB 3.98Å; F115-E137 WeakPolarHBondContact CE2-OE2 3.47Å; F115-E137 HydrophobicContact CZ-CB 4.38Å; A133-E137 VanDerWaalsContact O-CB 3.31Å; A133-E137 WeakPolarHBondContact O-CB 3.19Å; A133-E137 PolarHBondContact O-N 3.17Å; E137-F139 PolarHBondContact O-N 3.28Å; E137-G141 VanDerWaalsContact O-CA 3.24Å; E137-G141 WeakPolarHBondContact O-CA 3.44Å; E137-G141 PolarHBondContact O-N 2.8Å; E137-D145 WeakPolarHBondContact OE1-CB 3.48Å; E137-L147 HydrophobicContact CB-CD1 3.86Å; E137-L147 HydrophobicContact CG-CD1 4.26Å
138A92.9Very high91.6Very high79 Ų7966.2 Ų66.265%0.65334%0.341SS*.Hα-helixtrans-64.6-23.2174.700000113.3E134 K135 L136E134-A138 PolarHBondContact O-N 3.3Å; E134-A138 VanDerWaalsContact O-N 3.13Å; K135-A138 PolarHBondContact O-N 3.13Å; L136-A138 VanDerWaalsContact C-N 3.31Å; L136-A138 PolarHBondContact O-N 3.43Å
139F93.5Very high91.5Very high43 Ų4367 Ų6719%0.18934%0.344CS..Hα-helixtrans-91-42.1177177-112.1000113A72 L75 L80 P81 K135 L136 E137A72-F139 HydrophobicContact CB-CD2 3.76Å; A72-F139 HydrophobicContact CB-CE2 3.84Å; L75-F139 HydrophobicContact CB-CD1 4.4Å; L75-F139 HydrophobicContact CB-CE1 3.77Å; L75-F139 HydrophobicContact CB-CE2 4.37Å; L75-F139 HydrophobicContact CB-CZ 3.76Å; L75-F139 HydrophobicContact CD1-CD1 4.06Å; L75-F139 HydrophobicContact CD1-CE1 4.23Å; L75-F139 HydrophobicContact CD1-CG 4.47Å; L80-F139 HydrophobicContact CB-CE1 4.1Å; L80-F139 HydrophobicContact CD1-CE1 4.26Å; L80-F139 HydrophobicContact CG-CE1 4.41Å; P81-F139 HydrophobicContact CG-CE1 4.01Å; P81-F139 HydrophobicContact CG-CZ 4.1Å; K135-F139 PolarHBondContact O-N 2.91Å; L136-F139 WeakPolarHBondContact O-CB 3.46Å; L136-F139 PolarHBondContact O-N 3.18Å; L136-F139 VanDerWaalsContact O-N 3.08Å; E137-F139 PolarHBondContact O-N 3.28Å
140L92Very high91.5Very high26 Ų2669.6 Ų69.614%0.13636%0.36CS..Hα-helixtrans-88.8-35.8-175.3-63.4176000113.3L80 P81 Y108 L136L80-L140 HydrophobicContact CB-CD2 3.71Å; P81-L140 HydrophobicContact CG-CD2 4.22Å; Y108-L140 HydrophobicContact CD1-CD1 3.75Å; Y108-L140 HydrophobicContact CD2-CD1 4.18Å; Y108-L140 HydrophobicContact CE1-CD1 3.72Å; Y108-L140 HydrophobicContact CE2-CD1 4.14Å; Y108-L140 HydrophobicContact CG-CD1 3.97Å; L136-L140 HydrophobicContact CD2-CD1 3.82Å; L136-L140 HydrophobicContact CG-CD1 3.68Å; L136-L140 HydrophobicContact CG-CG 4.12Å; L136-L140 WeakPolarHBondContact O-CB 3.21Å; L136-L140 VanDerWaalsContact O-CG 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.27Å; L136-L140 PolarHBondContact O-N 3.37Å
141G80.4Confident91.5Very high22 Ų2267.6 Ų67.623%0.22735%0.352CS..SBendtrans-77.9163.6-171.900000112.9E137E137-G141 VanDerWaalsContact O-CA 3.24Å; E137-G141 WeakPolarHBondContact O-CA 3.44Å; E137-G141 PolarHBondContact O-N 2.8Å
142R80Confident91.5Very high211 Ų21167.4 Ų67.480%0.79635%0.351SS*.PPolyproline II helixtrans-88.7156.1172.7-61178.1-177.8178.81.5109.5G144 D145R142-G144 PolarHBondContact O-N 2.9Å; R142-D145 WeakPolarHBondContact CB-OD2 3.45Å; R142-D145 PolarHBondContact N-OD2 2.6Å; R142-D145 WeakPolarHBondContact O-CB 3.23Å; R142-D145 PolarHBondContact O-N 3.43Å
143K73.6Confident91.4Very high223 Ų22375.4 Ų75.497%0.9739%0.386SS*.THydrogen-bonded Turntrans-54.9116.7174.3-75.9-173.8178.1179.60110.3
144G73.9Confident91.3Very high75 Ų7576.2 Ų76.277%0.77339%0.393SS*.THydrogen-bonded Turntrans105.1-6.4177.700000115R142R142-G144 PolarHBondContact O-N 2.9Å
145D85.6Confident91.3Very high77 Ų7771.6 Ų71.641%0.41237%0.372SS..  trans-65.3144.8173.4-67.9-17.6000110.4E137 R142E137-D145 WeakPolarHBondContact OE1-CB 3.48Å; R142-D145 WeakPolarHBondContact CB-OD2 3.45Å; R142-D145 PolarHBondContact N-OD2 2.6Å; R142-D145 WeakPolarHBondContact O-CB 3.23Å; R142-D145 PolarHBondContact O-N 3.43Å
146K87.2Confident91.3Very high189 Ų18972.3 Ų72.382%0.82239%0.385SS*.  trans-99.3134.8175.7-69.8-177.2179.8178.30108.4A148K146-A148 PolarHBondContact O-N 3.35Å
147L93.3Very high91.3Very high52 Ų5273.6 Ų73.627%0.27239%0.391SS..  trans-56.5113.2172.4-178.574.9000110.5F115 K130 A133 E134 E137 F149F115-L147 HydrophobicContact CD2-CD1 3.69Å; F115-L147 HydrophobicContact CE2-CD1 3.83Å; K130-L147 HydrophobicContact CG-CD2 4.18Å; A133-L147 HydrophobicContact CB-CD1 3.96Å; E134-L147 HydrophobicContact CG-CD2 3.56Å; E137-L147 HydrophobicContact CB-CD1 3.86Å; E137-L147 HydrophobicContact CG-CD1 4.26Å; L147-F149 HydrophobicContact CD2-CB 4.18Å; L147-F149 HydrophobicContact CG-CB 4.18Å
148A96.3Very high91.4Very high35 Ų3579.8 Ų79.829%0.28942%0.42SS..  trans-95.2109.1167.300000108.6S114 F115 K146S114-A148 WeakPolarHBondContact CA-O 3.37Å; S114-A148 VanDerWaalsContact OG-CB 3.28Å; S114-A148 WeakPolarHBondContact OG-CB 3.17Å; F115-A148 PolarHBondContact N-O 2.92Å; K146-A148 PolarHBondContact O-N 3.35Å
149F98Very high91.6Very high48 Ų4878 Ų7821%0.21140%0.4CS..EExtended strand (participates in β ladder)trans-127.9127.8-177.4179.2-85000110L106 F115 H117 A129 K130 A133 L147 E151L106-F149 HydrophobicContact CD1-CD2 4.39Å; L106-F149 HydrophobicContact CD1-CE2 3.84Å; F115-F149 HydrophobicContact CB-CD2 3.94Å; F115-F149 CarbonylContact O-C 3.47Å; F115-F149 WeakPolarHBondContact O-CA 3.3Å; H117-F149 HydrophobicContact CB-CE1 4.28Å; H117-F149 HydrophobicContact CB-CE2 3.96Å; H117-F149 HydrophobicContact CB-CZ 3.52Å; H117-F149 AromaticContact CG-CZ 4Å; A129-F149 HydrophobicContact CB-CE2 4.07Å; A129-F149 HydrophobicContact CB-CZ 4.01Å; K130-F149 HydrophobicContact CB-CE2 4.32Å; K130-F149 HydrophobicContact CB-CZ 4.34Å; A133-F149 HydrophobicContact CB-CD2 3.83Å; A133-F149 HydrophobicContact CB-CE2 4.25Å; L147-F149 HydrophobicContact CD2-CB 4.18Å; L147-F149 HydrophobicContact CG-CB 4.18Å; F149-E151 HydrophobicContact CE1-CG 4.03Å; F149-E151 VanDerWaalsContact CE1-OE1 3.3Å; F149-E151 WeakPolarHBondContact CE1-OE1 3.46Å
150V98.2Very high91.7Very high56 Ų5679.9 Ų79.934%0.33942%0.418SS..EExtended strand (participates in β ladder)trans-124.2125.4-175.5-177.60000109.6F115 F116 H117 E152F115-V150 PolarHBondContact O-N 3.41Å; F116-V150 WeakPolarHBondContact CA-O 3.44Å; F116-V150 HydrophobicContact CD1-CB 3.84Å; F116-V150 HydrophobicContact CD1-CG1 4.23Å; F116-V150 HydrophobicContact CD1-CG2 4.27Å; F116-V150 HydrophobicContact CE1-CB 4.1Å; F116-V150 HydrophobicContact CE1-CG1 4.48Å; F116-V150 HydrophobicContact CE1-CG2 4.02Å; H117-V150 PolarHBondContact N-O 2.74Å; V150-E152 PolarHBondContact O-N 2.74Å
151E98.3Very high92Very high54 Ų5481 Ų8125%0.25242%0.421SS..EExtended strand (participates in β ladder)trans-79.1109165.4-69-68.117200108.6H117 R123 S126 F149H117-E151 IonicContact CE1-OE2 3.77Å; H117-E151 IonicContact CG-OE2 3.65Å; H117-E151 IonicContact ND1-OE1 3.68Å; H117-E151 PolarHBondContact ND1-OE1 2.87Å; H117-E151 IonicContact ND1-OE2 2.71Å; H117-E151 PolarHBondContact ND1-OE2 2.81Å; R123-E151 HydrophobicContact CG-CG 4.49Å; S126-E151 WeakPolarHBondContact CB-OE1 3.48Å; S126-E151 VanDerWaalsContact OG-CD 3.28Å; S126-E151 PolarHBondContact OG-OE1 3.41Å; F149-E151 HydrophobicContact CE1-CG 4.03Å; F149-E151 VanDerWaalsContact CE1-OE1 3.3Å; F149-E151 WeakPolarHBondContact CE1-OE1 3.46Å
152E97.9Very high92.9Very high67 Ų6780 Ų8031%0.31341%0.41SS..  trans-77.3152.4-177.6-81.1-67.8152.900111.8F116 H117 Y118 V150 A154F116-E152 HydrophobicContact CB-CG 3.93Å; F116-E152 HydrophobicContact CD1-CG 4.03Å; F116-E152 WeakPolarHBondContact CD1-OE1 3.36Å; F116-E152 HydrophobicContact CG-CG 4.47Å; H117-E152 WeakPolarHBondContact O-CB 3.43Å; H117-E152 PolarHBondContact O-N 2.96Å; Y118-E152 HydrophobicContact CD1-CB 3.8Å; Y118-E152 HydrophobicContact CD1-CG 4.42Å; Y118-E152 HydrophobicContact CD2-CB 4.4Å; Y118-E152 HydrophobicContact CD2-CG 4.44Å; Y118-E152 HydrophobicContact CE1-CB 3.64Å; Y118-E152 HydrophobicContact CE1-CG 3.87Å; Y118-E152 HydrophobicContact CE2-CB 4.28Å; Y118-E152 HydrophobicContact CE2-CG 3.92Å; Y118-E152 HydrophobicContact CG-CB 4.17Å; V150-E152 PolarHBondContact O-N 2.74Å; E152-A154 PolarHBondContact O-N 3.02Å
153K95.9Very high93.7Very high170 Ų17070.1 Ų70.174%0.73937%0.373SS*.  trans-76.982.3169-170.2179.6178.5-179.80108.4L187K153-L187 HydrophobicContact CD-CD1 4.01Å; K153-L187 HydrophobicContact CG-CD1 4.09Å; K153-L187 WeakPolarHBondContact O-CD2 3.32Å
154A95.4Very high94.9Very high16 Ų1659.5 Ų59.513%0.13233%0.327CS..PPolyproline II helixtrans-83156.9-175.700000113.2Y118 E152 A156Y118-A154 HydrophobicContact CD1-CB 3.95Å; Y118-A154 HydrophobicContact CG-CB 4.44Å; E152-A154 PolarHBondContact O-N 3.02Å; A154-A156 PolarHBondContact O-N 2.95Å
155P96.8Very high96.1Very high4 Ų456 Ų563%0.02629%0.29CS..PPolyproline II helixtrans-58.6125.9170.6-25.837.5000111.7S120 Y166 N170 L186 L187 L190S120-P155 WeakPolarHBondContact CA-O 3.46Å; S120-P155 WeakPolarHBondContact CB-O 3.44Å; P155-Y166 HydrophobicContact CB-CD1 3.96Å; P155-Y166 HydrophobicContact CB-CE1 3.67Å; P155-N170 WeakPolarHBondContact CD-OD1 3.27Å; P155-L186 HydrophobicContact CG-CB 3.93Å; P155-L186 WeakPolarHBondContact CG-O 3.47Å; P155-L187 HydrophobicContact CG-CD2 4.24Å; P155-L190 HydrophobicContact CB-CB 3.88Å; P155-L190 HydrophobicContact CG-CB 3.87Å; P155-L190 HydrophobicContact CG-CD1 4.13Å; P155-L190 HydrophobicContact CG-CG 4.37Å
156A96.9Very high96.8Very high56 Ų5652.4 Ų52.446%0.46327%0.271SS..PPolyproline II helixtrans-92.6127.5-172.100000112.3S120 A154 Q158 Y166S120-A156 WeakPolarHBondContact O-CA 3.32Å; A154-A156 PolarHBondContact O-N 2.95Å; A156-Q158 PolarHBondContact O-NE2 3.43Å; A156-Y166 PolarHBondContact O-OH 3.4Å
157Q95.8Very high97.3Very high27 Ų2743.6 Ų43.613%0.12623%0.233CC..PPolyproline II helixtrans-64.5146.8174.270.5-169.273.900111.3S120 N159 Y166S120-Q157 PolarHBondContact O-N 3.19Å; S120-Q157 PolarHBondContact OG-OE1 2.95Å; Q157-N159 WeakPolarHBondContact CG-O 3.47Å; Q157-N159 PolarHBondContact NE2-O 2.75Å; Q157-Y166 HydrophobicContact CB-CD2 3.96Å; Q157-Y166 HydrophobicContact CB-CE2 3.5Å; Q157-Y166 VanDerWaalsContact CB-CE2 3.5Å
158Q97.3Very high97.6Very high146 Ų14641.1 Ų41.168%0.68222%0.22SC*.SBendtrans-111.312178-56.4-57.2-5100112.3A156 P192A156-Q158 PolarHBondContact O-NE2 3.43Å; Q158-P192 HydrophobicContact CB-CG 4.06Å; Q158-P192 HydrophobicContact CG-CG 3.53Å
159N97.3Very high97.7Very high42 Ų4239.5 Ų39.523%0.22521%0.207CC..SBendtrans-143.8-174.6178.362.748000109.9Q157 Y161 D162Q157-N159 WeakPolarHBondContact CG-O 3.47Å; Q157-N159 PolarHBondContact NE2-O 2.75Å; N159-Y161 HydrophobicContact CB-CD1 4.09Å; N159-Y161 HydrophobicContact CB-CE1 3.69Å; N159-Y161 WeakPolarHBondContact ND2-CE2 3.34Å; N159-Y161 PolarHBondContact OD1-N 3.23Å; N159-Y161 VanDerWaalsContact OD1-N 3.08Å; N159-D162 PolarHBondContact ND2-OD2 2.52Å; N159-D162 WeakPolarHBondContact OD1-CB 3.33Å; N159-D162 PolarHBondContact OD1-N 3.29Å
160S96.4Very high97.7Very high82 Ų8237.2 Ų37.257%0.57320%0.197SC*.SBendtrans-102.46.3-175.958.10000115W26W26-S160 WeakPolarHBondContact CZ2-O 3.2Å; W26-S160 PolarHBondContact NE1-O 2.76Å
161Y97.8Very high97.8Very high50 Ų5034.6 Ų34.620%0.19618%0.181CC..SBendtrans-132.4-9.7-166.953.6-102.7000115.8P23 P24 W26 N159 R199P23-Y161 HydrophobicContact CB-CE2 3.92Å; P24-Y161 HydrophobicContact CB-CD1 3.44Å; P24-Y161 VanDerWaalsContact CB-CD1 3.44Å; P24-Y161 HydrophobicContact CB-CD2 4.45Å; P24-Y161 HydrophobicContact CB-CE1 3.42Å; P24-Y161 VanDerWaalsContact CB-CE1 3.42Å; P24-Y161 HydrophobicContact CB-CE2 4.45Å; P24-Y161 HydrophobicContact CB-CG 3.98Å; P24-Y161 WeakPolarHBondContact O-CB 3.45Å; W26-Y161 VanDerWaalsContact CD1-CA 3.45Å; N159-Y161 HydrophobicContact CB-CD1 4.09Å; N159-Y161 HydrophobicContact CB-CE1 3.69Å; N159-Y161 WeakPolarHBondContact ND2-CE2 3.34Å; N159-Y161 PolarHBondContact OD1-N 3.23Å; N159-Y161 VanDerWaalsContact OD1-N 3.08Å; Y161-R199 PolarHBondContact O-NH2 3.22Å
162D98.6Very high97.8Very high0 Ų033 Ų330%017%0.173CC..  trans-91.12.5-175-80.8-26.4000115.4N159 G164 M165 Y166 I195 R199N159-D162 PolarHBondContact ND2-OD2 2.52Å; N159-D162 WeakPolarHBondContact OD1-CB 3.33Å; N159-D162 PolarHBondContact OD1-N 3.29Å; D162-G164 VanDerWaalsContact C-N 3.26Å; D162-G164 PolarHBondContact O-N 3.42Å; D162-M165 WeakPolarHBondContact O-CA 3.47Å; D162-M165 WeakPolarHBondContact O-CB 3.21Å; D162-M165 PolarHBondContact O-N 3.42Å; D162-Y166 HydrophobicContact CB-CD2 4.08Å; D162-Y166 HydrophobicContact CB-CE2 3.99Å; D162-Y166 WeakPolarHBondContact O-CD2 3.49Å; D162-Y166 PolarHBondContact O-N 3.03Å; D162-I195 HydrophobicContact CB-CG2 3.92Å; D162-R199 IonicContact OD1-CZ 3.4Å; D162-R199 VanDerWaalsContact OD1-CZ 3.22Å; D162-R199 IonicContact OD1-NE 3.29Å; D162-R199 PolarHBondContact OD1-NE 2.88Å; D162-R199 IonicContact OD1-NH2 2.76Å; D162-R199 PolarHBondContact OD1-NH2 2.99Å
163C98.4Very high97.8Very high4 Ų429.8 Ų29.83%0.02716%0.159CC..Hα-helixtrans-50.4-44.9-178.755.60000112.9H102 W103 M165 Y166 V167H102-C163 WeakPolarHBondContact CE1-CB 3.07Å; H102-C163 WeakPolarHBondContact ND1-CB 3.31Å; W103-C163 HydrophobicContact CB-CB 4.32Å; C163-M165 PolarHBondContact O-N 3.03Å; C163-Y166 PolarHBondContact O-N 3.14Å; C163-V167 PolarHBondContact O-N 3.49Å; C163-V167 VanDerWaalsContact O-N 3.13Å
164G98.7Very high97.9Very high0 Ų022 Ų220%013%0.125CC..Hα-helixtrans-63.3-35.9175.300000113.9D162 V167 I168D162-G164 VanDerWaalsContact C-N 3.26Å; D162-G164 PolarHBondContact O-N 3.42Å; G164-V167 WeakPolarHBondContact O-CB 3.18Å; G164-V167 PolarHBondContact O-N 2.83Å; G164-I168 PolarHBondContact O-N 3.4Å
165M98.8Very high98.1Very high0 Ų021.3 Ų21.30%012%0.119CC..Hα-helixtrans-69.2-35.8175.1-76.1-60.8-54.700112.2L21 L27 D162 C163 V167 I168 C169 I195 K198 R199L21-M165 HydrophobicContact CD2-SD 4.26Å; L27-M165 HydrophobicContact CD1-CG 3.89Å; L27-M165 HydrophobicContact CD1-SD 3.69Å; L27-M165 HydrophobicContact CG-CG 4.42Å; D162-M165 WeakPolarHBondContact O-CA 3.47Å; D162-M165 WeakPolarHBondContact O-CB 3.21Å; D162-M165 PolarHBondContact O-N 3.42Å; C163-M165 PolarHBondContact O-N 3.03Å; M165-V167 VanDerWaalsContact C-N 3.3Å; M165-V167 PolarHBondContact O-N 2.68Å; M165-I168 PolarHBondContact O-N 2.95Å; M165-I168 HydrophobicContact SD-CD1 4.48Å; M165-C169 WeakPolarHBondContact O-CB 3.49Å; M165-C169 PolarHBondContact O-N 3.1Å; M165-C169 PolarHBondContact O-SG 3.01Å; M165-I195 HydrophobicContact CB-CG2 3.57Å; M165-I195 HydrophobicContact CG-CG2 4.22Å; M165-K198 HydrophobicContact CE-CB 3.61Å; M165-R199 HydrophobicContact CE-CG 3.85Å; M165-R199 HydrophobicContact CG-CG 3.57Å; M165-R199 HydrophobicContact SD-CG 3.5Å; M165-R199 VanDerWaalsContact SD-CG 3.5Å
166Y98.8Very high98.1Very high3 Ų322.7 Ų22.71%0.01213%0.125CC..Hα-helixtrans-64.4-35.3173.4-81.5-84.5000111.4P155 A156 Q157 D162 C163 N170 L190 I195P155-Y166 HydrophobicContact CB-CD1 3.96Å; P155-Y166 HydrophobicContact CB-CE1 3.67Å; A156-Y166 PolarHBondContact O-OH 3.4Å; Q157-Y166 HydrophobicContact CB-CD2 3.96Å; Q157-Y166 HydrophobicContact CB-CE2 3.5Å; Q157-Y166 VanDerWaalsContact CB-CE2 3.5Å; D162-Y166 HydrophobicContact CB-CD2 4.08Å; D162-Y166 HydrophobicContact CB-CE2 3.99Å; D162-Y166 WeakPolarHBondContact O-CD2 3.49Å; D162-Y166 PolarHBondContact O-N 3.03Å; C163-Y166 PolarHBondContact O-N 3.14Å; Y166-N170 WeakPolarHBondContact O-CB 3.12Å; Y166-N170 VanDerWaalsContact O-CG 3.31Å; Y166-N170 PolarHBondContact O-N 3.43Å; Y166-N170 PolarHBondContact O-ND2 3.27Å; Y166-L190 HydrophobicContact CE1-CB 4.45Å; Y166-I195 HydrophobicContact CD1-CD1 4.07Å; Y166-I195 HydrophobicContact CD1-CG1 4.31Å; Y166-I195 HydrophobicContact CD2-CG1 4.41Å; Y166-I195 HydrophobicContact CE1-CD1 4.09Å; Y166-I195 HydrophobicContact CE1-CG1 3.86Å; Y166-I195 HydrophobicContact CE2-CG1 3.95Å; Y166-I195 HydrophobicContact CE2-CG2 4.37Å; Y166-I195 HydrophobicContact CG-CD1 4.29Å
167V98.9Very high98.1Very high3 Ų322 Ų222%0.01811%0.113CC..Hα-helixtrans-59.1-51.3172.2174.40000110.9I32 F36 A89 W103 S104 L105 C163 G164 M165 T171I32-V167 HydrophobicContact CG2-CG1 4.23Å; F36-V167 HydrophobicContact CE1-CG1 4.42Å; F36-V167 HydrophobicContact CZ-CG1 4.23Å; A89-V167 HydrophobicContact CB-CG1 4.13Å; W103-V167 HydrophobicContact CB-CG2 3.93Å; S104-V167 VanDerWaalsContact C-CG2 3.41Å; S104-V167 WeakPolarHBondContact O-CG2 3.43Å; L105-V167 HydrophobicContact CB-CG1 4.27Å; L105-V167 HydrophobicContact CB-CG2 4.37Å; L105-V167 HydrophobicContact CD1-CG1 4.12Å; C163-V167 PolarHBondContact O-N 3.49Å; C163-V167 VanDerWaalsContact O-N 3.13Å; G164-V167 WeakPolarHBondContact O-CB 3.18Å; G164-V167 PolarHBondContact O-N 2.83Å; M165-V167 VanDerWaalsContact C-N 3.3Å; M165-V167 PolarHBondContact O-N 2.68Å; V167-T171 WeakPolarHBondContact O-CB 3.14Å; V167-T171 PolarHBondContact O-N 3.31Å; V167-T171 VanDerWaalsContact O-N 3.09Å; V167-T171 PolarHBondContact O-OG1 3.12Å
168I98.9Very high98.1Very high1 Ų123.6 Ų23.61%0.00512%0.12CC..Hα-helixtrans-61.9-49.4-179.6-64.7170.8000111L27 I31 I32 A35 F39 G164 M165 T171 E172 W202L27-I168 HydrophobicContact CD1-CD1 3.71Å; I31-I168 HydrophobicContact CG2-CD1 4.27Å; I32-I168 HydrophobicContact CG1-CD1 4.24Å; I32-I168 HydrophobicContact CG1-CG1 4.39Å; A35-I168 HydrophobicContact CB-CB 4.47Å; A35-I168 HydrophobicContact CB-CD1 3.86Å; A35-I168 HydrophobicContact CB-CG1 3.83Å; A35-I168 HydrophobicContact CB-CG2 3.86Å; F39-I168 HydrophobicContact CE2-CG2 4.34Å; F39-I168 HydrophobicContact CZ-CG2 3.93Å; G164-I168 PolarHBondContact O-N 3.4Å; M165-I168 PolarHBondContact O-N 2.95Å; M165-I168 HydrophobicContact SD-CD1 4.48Å; I168-T171 WeakPolarHBondContact O-CB 3.25Å; I168-T171 PolarHBondContact O-N 2.67Å; I168-E172 PolarHBondContact O-N 3.11Å; I168-W202 HydrophobicContact CG2-CH2 4.47Å; I168-W202 HydrophobicContact CG2-CZ2 3.5Å
169C98.8Very high98.1Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-73.5-35.6-174.1-61.50000113M165 T171 A173 L190 Y194 I195M165-C169 WeakPolarHBondContact O-CB 3.49Å; M165-C169 PolarHBondContact O-N 3.1Å; M165-C169 PolarHBondContact O-SG 3.01Å; C169-T171 VanDerWaalsContact C-N 3.32Å; C169-A173 WeakPolarHBondContact O-CB 3.42Å; C169-A173 PolarHBondContact O-N 3.22Å; C169-L190 HydrophobicContact CB-CD1 4.06Å; C169-L190 HydrophobicContact CB-CD2 3.83Å; C169-Y194 HydrophobicContact CB-CE1 4.26Å; C169-I195 HydrophobicContact CB-CD1 3.74Å
170N98.7Very high98Very high1 Ų120 Ų201%0.00510%0.098CC..Hα-helixtrans-62.9-42.3171.3-79.6-60.7000110.4L105 P155 Y166 A173 L174 L190L105-N170 HydrophobicContact CD2-CB 3.77Å; P155-N170 WeakPolarHBondContact CD-OD1 3.27Å; Y166-N170 WeakPolarHBondContact O-CB 3.12Å; Y166-N170 VanDerWaalsContact O-CG 3.31Å; Y166-N170 PolarHBondContact O-N 3.43Å; Y166-N170 PolarHBondContact O-ND2 3.27Å; N170-A173 PolarHBondContact O-N 3.12Å; N170-L174 VanDerWaalsContact O-CB 3.25Å; N170-L174 WeakPolarHBondContact O-CB 3.19Å; N170-L174 WeakPolarHBondContact O-CG 3.28Å; N170-L174 PolarHBondContact O-N 3.37Å; N170-L190 HydrophobicContact CB-CD1 4.31Å; N170-L190 VanDerWaalsContact OD1-CD1 3.28Å; N170-L190 WeakPolarHBondContact OD1-CD1 3.38Å
171T98.8Very high97.8Very high0 Ų025 Ų250%011%0.112CC..Hα-helixtrans-60.2-49.7177.5-57.90000111.2F36 F39 F53 F87 L105 V167 I168 C169 L174 C175F36-T171 HydrophobicContact CD1-CG2 4.46Å; F36-T171 HydrophobicContact CE1-CG2 3.87Å; F36-T171 HydrophobicContact CZ-CG2 4.39Å; F39-T171 HydrophobicContact CD2-CG2 3.8Å; F39-T171 HydrophobicContact CE2-CG2 3.78Å; F53-T171 HydrophobicContact CD1-CG2 3.81Å; F53-T171 HydrophobicContact CE1-CG2 3.62Å; F87-T171 HydrophobicContact CB-CG2 4.33Å; F87-T171 HydrophobicContact CD1-CG2 3.91Å; F87-T171 HydrophobicContact CD2-CG2 4.35Å; F87-T171 HydrophobicContact CE1-CG2 4.28Å; F87-T171 HydrophobicContact CG-CG2 3.95Å; L105-T171 WeakPolarHBondContact CD1-OG1 3.26Å; L105-T171 WeakPolarHBondContact CD2-OG1 3.41Å; V167-T171 WeakPolarHBondContact O-CB 3.14Å; V167-T171 PolarHBondContact O-N 3.31Å; V167-T171 VanDerWaalsContact O-N 3.09Å; V167-T171 PolarHBondContact O-OG1 3.12Å; I168-T171 WeakPolarHBondContact O-CB 3.25Å; I168-T171 PolarHBondContact O-N 2.67Å; C169-T171 VanDerWaalsContact C-N 3.32Å; T171-L174 PolarHBondContact O-N 3.4Å; T171-C175 PolarHBondContact O-N 2.91Å; T171-C175 PolarHBondContact O-SG 3.4Å
172E98.7Very high97.4Very high20 Ų2026 Ų269%0.09312%0.119CC..Hα-helixtrans-57.4-53.4178.3-173.5177.5-164.600111F39 Q43 I168 L174 C175 Q176 K198F39-E172 HydrophobicContact CE1-CB 4.05Å; F39-E172 HydrophobicContact CE1-CG 4.19Å; F39-E172 HydrophobicContact CZ-CB 3.79Å; F39-E172 HydrophobicContact CZ-CG 4.42Å; Q43-E172 PolarHBondContact NE2-OE1 2.81Å; I168-E172 PolarHBondContact O-N 3.11Å; E172-L174 PolarHBondContact O-N 3.38Å; E172-C175 WeakPolarHBondContact O-CB 3.37Å; E172-C175 PolarHBondContact O-N 2.9Å; E172-C175 VanDerWaalsContact O-N 3.16Å; E172-Q176 WeakPolarHBondContact O-CG 3.41Å; E172-Q176 PolarHBondContact O-N 3.16Å; E172-K198 IonicContact OE1-NZ 3.3Å; E172-K198 PolarHBondContact OE1-NZ 2.69Å; E172-K198 IonicContact OE2-NZ 2.74Å; E172-K198 PolarHBondContact OE2-NZ 3.35Å
173A98.4Very high97Very high1 Ų132.7 Ų32.71%0.00816%0.16CC..Hα-helixtrans-67.7-34.1-176.300000113.1C169 N170 Q176 N177 L186 L189C169-A173 WeakPolarHBondContact O-CB 3.42Å; C169-A173 PolarHBondContact O-N 3.22Å; N170-A173 PolarHBondContact O-N 3.12Å; A173-Q176 PolarHBondContact O-N 3.34Å; A173-N177 PolarHBondContact O-N 3.38Å; A173-L186 HydrophobicContact CB-CD2 3.27Å; A173-L189 HydrophobicContact CB-CD2 3.96Å
174L98.4Very high96.5Very high7 Ų736 Ų364%0.03718%0.175CC..Hα-helixtrans-64.7-41.3171.5-76.3170.1000111.6F87 L105 V107 Y118 N170 T171 E172 Q176 N177 F178 L186F87-L174 HydrophobicContact CE1-CB 3.94Å; F87-L174 HydrophobicContact CE1-CD1 3.93Å; F87-L174 HydrophobicContact CZ-CB 4.03Å; L105-L174 HydrophobicContact CD2-CD1 4.18Å; V107-L174 HydrophobicContact CG2-CD1 3.98Å; Y118-L174 HydrophobicContact CD2-CD1 4.32Å; Y118-L174 HydrophobicContact CE2-CD1 3.88Å; N170-L174 VanDerWaalsContact O-CB 3.25Å; N170-L174 WeakPolarHBondContact O-CB 3.19Å; N170-L174 WeakPolarHBondContact O-CG 3.28Å; N170-L174 PolarHBondContact O-N 3.37Å; T171-L174 PolarHBondContact O-N 3.4Å; E172-L174 PolarHBondContact O-N 3.38Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 2.91Å; L174-N177 PolarHBondContact O-N 2.94Å; L174-F178 HydrophobicContact CB-CD2 4.33Å; L174-F178 HydrophobicContact CB-CE2 3.93Å; L174-F178 HydrophobicContact CB-CZ 4.49Å; L174-F178 HydrophobicContact CD2-CE2 4.18Å; L174-F178 HydrophobicContact CD2-CZ 3.91Å; L174-F178 WeakPolarHBondContact O-CB 3.39Å; L174-F178 WeakPolarHBondContact O-CD2 3.42Å; L174-F178 VanDerWaalsContact O-CG 3.22Å; L174-F178 WeakPolarHBondContact O-CG 3.39Å; L174-F178 PolarHBondContact O-N 3.17Å; L174-L186 HydrophobicContact CD1-CD1 4.46Å; L174-L186 HydrophobicContact CD2-CD1 3.83Å; L174-L186 HydrophobicContact CG-CD1 3.94Å
175C98.3Very high96.3Very high0 Ų038.4 Ų38.40%019%0.192CC..Hα-helixtrans-63.5-40.4175-68.90000111.9F44 F53 F87 T171 E172 N177 F178 F179F44-C175 HydrophobicContact CD1-CB 3.97Å; F44-C175 HydrophobicContact CD2-CB 3.96Å; F44-C175 HydrophobicContact CE1-CB 3.56Å; F44-C175 HydrophobicContact CE2-CB 3.54Å; F44-C175 HydrophobicContact CG-CB 4.16Å; F44-C175 HydrophobicContact CZ-CB 3.32Å; F53-C175 VanDerWaalsContact CE1-SG 3.58Å; F87-C175 WeakPolarHBondContact CE2-SG 3.45Å; T171-C175 PolarHBondContact O-N 2.91Å; T171-C175 PolarHBondContact O-SG 3.4Å; E172-C175 WeakPolarHBondContact O-CB 3.37Å; E172-C175 PolarHBondContact O-N 2.9Å; E172-C175 VanDerWaalsContact O-N 3.16Å; C175-N177 VanDerWaalsContact C-N 3.31Å; C175-N177 PolarHBondContact O-N 3.32Å; C175-F178 PolarHBondContact O-N 2.94Å; C175-F179 HydrophobicContact CB-CD2 4.04Å; C175-F179 HydrophobicContact CB-CE2 4.43Å; C175-F179 WeakPolarHBondContact O-CB 3.24Å; C175-F179 WeakPolarHBondContact O-CD2 3.37Å; C175-F179 PolarHBondContact O-N 3.2Å
176Q97.8Very high96.1Very high34 Ų3439.3 Ų39.316%0.15920%0.196CC..Hα-helixtrans-58.2-44.6172.8-64.2-61.8-16.500111.6F44 E172 A173 L174 R180 Q181 Q182F44-Q176 HydrophobicContact CZ-CG 4.5Å; E172-Q176 WeakPolarHBondContact O-CG 3.41Å; E172-Q176 PolarHBondContact O-N 3.16Å; A173-Q176 PolarHBondContact O-N 3.34Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 2.91Å; Q176-R180 CarbonylContact O-C 3.54Å; Q176-R180 WeakPolarHBondContact O-CA 3.47Å; Q176-R180 VanDerWaalsContact O-CB 3.29Å; Q176-R180 WeakPolarHBondContact O-CB 3.38Å; Q176-R180 PolarHBondContact O-N 3.49Å; Q176-R180 VanDerWaalsContact OE1-CG 3.25Å; Q176-Q181 PolarHBondContact O-N 3.36Å; Q176-Q182 HydrophobicContact CB-CB 4.22Å; Q176-Q182 HydrophobicContact CB-CG 4.23Å; Q176-Q182 VanDerWaalsContact CB-OE1 3.3Å; Q176-Q182 PolarHBondContact O-N 3.43Å
177N96.9Very high95.9Very high40 Ų4043 Ų4321%0.21422%0.216CC..Hα-helixtrans-66.1-43.2177.8-73.9-14.7000112.5A173 L174 C175 Q182 E184A173-N177 PolarHBondContact O-N 3.38Å; L174-N177 PolarHBondContact O-N 2.94Å; C175-N177 VanDerWaalsContact C-N 3.31Å; C175-N177 PolarHBondContact O-N 3.32Å; N177-Q182 WeakPolarHBondContact CA-O 3.44Å; N177-Q182 VanDerWaalsContact OD1-C 3.22Å; N177-Q182 PolarHBondContact OD1-O 3.06Å; N177-Q182 VanDerWaalsContact OD1-O 3.09Å; N177-E184 PolarHBondContact ND2-O 2.98Å; N177-E184 PolarHBondContact OD1-N 3.32Å
178F96.1Very high95.8Very high62 Ų6250.2 Ų50.227%0.27225%0.25SC..Hα-helixtrans-75.8-36.4-176.5-63.2-33.2000113.9V85 F87 L109 L174 C175V85-F178 HydrophobicContact CG1-CD2 4.28Å; V85-F178 HydrophobicContact CG1-CE2 4.21Å; V85-F178 HydrophobicContact CG2-CD2 4.22Å; F87-F178 HydrophobicContact CZ-CD2 4.19Å; F87-F178 HydrophobicContact CZ-CE2 4.08Å; L109-F178 HydrophobicContact CD1-CZ 4.24Å; L109-F178 HydrophobicContact CD2-CE2 3.97Å; L109-F178 HydrophobicContact CD2-CZ 3.89Å; L174-F178 HydrophobicContact CB-CD2 4.33Å; L174-F178 HydrophobicContact CB-CE2 3.93Å; L174-F178 HydrophobicContact CB-CZ 4.49Å; L174-F178 HydrophobicContact CD2-CE2 4.18Å; L174-F178 HydrophobicContact CD2-CZ 3.91Å; L174-F178 WeakPolarHBondContact O-CB 3.39Å; L174-F178 WeakPolarHBondContact O-CD2 3.42Å; L174-F178 VanDerWaalsContact O-CG 3.22Å; L174-F178 WeakPolarHBondContact O-CG 3.39Å; L174-F178 PolarHBondContact O-N 3.17Å; C175-F178 PolarHBondContact O-N 2.94Å
179F96.9Very high95.7Very high30 Ų3052.1 Ų52.113%0.13226%0.259CS..Hα-helixtrans-119-12.3-166.8-54.3-63.7000114.5C47 D50 V51 V85 C175C47-F179 HydrophobicContact CB-CD1 4.23Å; C47-F179 HydrophobicContact CB-CG 4.25Å; D50-F179 HydrophobicContact CB-CE1 4.02Å; V51-F179 HydrophobicContact CB-CE2 3.94Å; V51-F179 HydrophobicContact CB-CZ 3.74Å; V51-F179 HydrophobicContact CG1-CE2 4.22Å; V51-F179 HydrophobicContact CG1-CZ 4.31Å; V51-F179 HydrophobicContact CG2-CE2 4.13Å; V51-F179 HydrophobicContact CG2-CZ 4.25Å; V85-F179 HydrophobicContact CB-CZ 4.23Å; V85-F179 HydrophobicContact CG2-CZ 3.87Å; C175-F179 HydrophobicContact CB-CD2 4.04Å; C175-F179 HydrophobicContact CB-CE2 4.43Å; C175-F179 WeakPolarHBondContact O-CB 3.24Å; C175-F179 WeakPolarHBondContact O-CD2 3.37Å; C175-F179 PolarHBondContact O-N 3.2Å
180R95.5Very high95.6Very high81 Ų8152.3 Ų52.331%0.30626%0.26SS..SBendtrans-119.711.1-179.2-52.3-62.5-178.5-127.84.2113.5Q43 F44 D46 C47 Q176 Q182Q43-R180 PolarHBondContact O-NH2 3.25Å; F44-R180 HydrophobicContact CE1-CG 4.36Å; D46-R180 VanDerWaalsContact CG-NH2 3.31Å; D46-R180 IonicContact OD1-CZ 3.74Å; D46-R180 IonicContact OD1-NH1 3.64Å; D46-R180 IonicContact OD1-NH2 2.76Å; D46-R180 PolarHBondContact OD1-NH2 3.13Å; D46-R180 IonicContact OD2-CZ 3.29Å; D46-R180 VanDerWaalsContact OD2-CZ 3.3Å; D46-R180 IonicContact OD2-NH1 2.67Å; D46-R180 PolarHBondContact OD2-NH1 3.33Å; D46-R180 IonicContact OD2-NH2 3.58Å; D46-R180 PolarHBondContact OD2-NH2 2.9Å; D46-R180 VanDerWaalsContact OD2-NH2 3.14Å; C47-R180 PolarHBondContact SG-NH1 3.47Å; Q176-R180 CarbonylContact O-C 3.54Å; Q176-R180 WeakPolarHBondContact O-CA 3.47Å; Q176-R180 VanDerWaalsContact O-CB 3.29Å; Q176-R180 WeakPolarHBondContact O-CB 3.38Å; Q176-R180 PolarHBondContact O-N 3.49Å; Q176-R180 VanDerWaalsContact OE1-CG 3.25Å; R180-Q182 HydrophobicContact CB-CG 4.32Å; R180-Q182 PolarHBondContact O-N 2.65Å; R180-Q182 VanDerWaalsContact O-N 3.14Å
181Q90.8Very high95.6Very high187 Ų18755.1 Ų55.187%0.87428%0.278SS*.  trans56.226.8179.6-53.8175.326.300113.1Q176Q176-Q181 PolarHBondContact O-N 3.36Å
182Q90.6Very high95.6Very high73 Ų7357.5 Ų57.534%0.34129%0.293SS..  trans-76.7154.5170-62-162.7-14.200109.9Q176 N177 R180 E184Q176-Q182 HydrophobicContact CB-CB 4.22Å; Q176-Q182 HydrophobicContact CB-CG 4.23Å; Q176-Q182 VanDerWaalsContact CB-OE1 3.3Å; Q176-Q182 PolarHBondContact O-N 3.43Å; N177-Q182 WeakPolarHBondContact CA-O 3.44Å; N177-Q182 VanDerWaalsContact OD1-C 3.22Å; N177-Q182 PolarHBondContact OD1-O 3.06Å; N177-Q182 VanDerWaalsContact OD1-O 3.09Å; R180-Q182 HydrophobicContact CB-CG 4.32Å; R180-Q182 PolarHBondContact O-N 2.65Å; R180-Q182 VanDerWaalsContact O-N 3.14Å; Q182-E184 HydrophobicContact CB-CG 4.41Å; Q182-E184 PolarHBondContact OE1-OE2 3.36Å
183T89.2Confident95.6Very high140 Ų14062 Ų6286%0.85932%0.322SS*.  trans-129.246.8179.360.90000109.6
184E88.1Confident95.6Very high74 Ų7464.5 Ų64.535%0.34633%0.332SS..  trans-81130.2-177.3-65-173.9139.300110.1N177 Q182 L186 L189N177-E184 PolarHBondContact ND2-O 2.98Å; N177-E184 PolarHBondContact OD1-N 3.32Å; Q182-E184 HydrophobicContact CB-CG 4.41Å; Q182-E184 PolarHBondContact OE1-OE2 3.36Å; E184-L186 PolarHBondContact O-N 3.24Å; E184-L189 HydrophobicContact CB-CD2 4.41Å; E184-L189 VanDerWaalsContact OE2-CD2 3.26Å; E184-L189 WeakPolarHBondContact OE2-CD2 3.34Å
185S95Very high95.6Very high50 Ų5064.1 Ų64.135%0.3533%0.33SS..  trans-76.3112.5169.6176.10000109.1L187 Q188 L189S185-L187 PolarHBondContact O-N 2.93Å; S185-Q188 PolarHBondContact O-N 3.23Å; S185-L189 PolarHBondContact O-N 3.44Å
186L95Very high95.6Very high18 Ų1867.4 Ų67.49%0.09435%0.35CS..Hα-helixtrans-51.8-40.9177.9-62.3177.6000112Y118 P155 A173 L174 E184 Q188 L189 L190Y118-L186 HydrophobicContact CD1-CD1 4.3Å; Y118-L186 HydrophobicContact CE1-CD1 3.78Å; P155-L186 HydrophobicContact CG-CB 3.93Å; P155-L186 WeakPolarHBondContact CG-O 3.47Å; A173-L186 HydrophobicContact CB-CD2 3.27Å; L174-L186 HydrophobicContact CD1-CD1 4.46Å; L174-L186 HydrophobicContact CD2-CD1 3.83Å; L174-L186 HydrophobicContact CG-CD1 3.94Å; E184-L186 PolarHBondContact O-N 3.24Å; L186-Q188 VanDerWaalsContact C-N 3.25Å; L186-Q188 PolarHBondContact O-N 3.28Å; L186-L189 PolarHBondContact O-N 3.41Å; L186-L190 HydrophobicContact CD2-CD1 4.28Å; L186-L190 WeakPolarHBondContact O-CB 3.36Å; L186-L190 PolarHBondContact O-N 2.88Å
187L95.2Very high95.6Very high80 Ų8072.1 Ų72.142%0.41937%0.37SS..Hα-helixtrans-63.4-28.8179.4-70.5175.5000113.5K153 P155 S185K153-L187 HydrophobicContact CD-CD1 4.01Å; K153-L187 HydrophobicContact CG-CD1 4.09Å; K153-L187 WeakPolarHBondContact O-CD2 3.32Å; P155-L187 HydrophobicContact CG-CD2 4.24Å; S185-L187 PolarHBondContact O-N 2.93Å
188Q95.2Very high95.7Very high156 Ų15671.4 Ų71.473%0.72937%0.365SS*.Hα-helixtrans-90.2-36.1178.5-67.6176.4-19.200111.6S185 L186S185-Q188 PolarHBondContact O-N 3.23Å; L186-Q188 VanDerWaalsContact C-N 3.25Å; L186-Q188 PolarHBondContact O-N 3.28Å
189L96.9Very high95.8Very high40 Ų4068.6 Ų68.621%0.20935%0.353CS..Hα-helixtrans-75-51.7-177.6-177.670.4000112.2A173 E184 S185 L186 T191 Y194A173-L189 HydrophobicContact CB-CD2 3.96Å; E184-L189 HydrophobicContact CB-CD2 4.41Å; E184-L189 VanDerWaalsContact OE2-CD2 3.26Å; E184-L189 WeakPolarHBondContact OE2-CD2 3.34Å; S185-L189 PolarHBondContact O-N 3.44Å; L186-L189 PolarHBondContact O-N 3.41Å; L189-T191 PolarHBondContact O-N 3.21Å; L189-Y194 HydrophobicContact CD1-CD2 4.33Å; L189-Y194 HydrophobicContact CD1-CE2 3.9Å; L189-Y194 HydrophobicContact CG-CD2 4.49Å; L189-Y194 HydrophobicContact CG-CE2 4.06Å; L189-Y194 WeakPolarHBondContact O-CB 3.5Å
190L97.9Very high95.9Very high4 Ų468.8 Ų68.82%0.02136%0.363CS..  trans-8564.3-168-56.2-170000111.7P155 Y166 C169 N170 L186 Y194P155-L190 HydrophobicContact CB-CB 3.88Å; P155-L190 HydrophobicContact CG-CB 3.87Å; P155-L190 HydrophobicContact CG-CD1 4.13Å; P155-L190 HydrophobicContact CG-CG 4.37Å; Y166-L190 HydrophobicContact CE1-CB 4.45Å; C169-L190 HydrophobicContact CB-CD1 4.06Å; C169-L190 HydrophobicContact CB-CD2 3.83Å; N170-L190 HydrophobicContact CB-CD1 4.31Å; N170-L190 VanDerWaalsContact OD1-CD1 3.28Å; N170-L190 WeakPolarHBondContact OD1-CD1 3.38Å; L186-L190 HydrophobicContact CD2-CD1 4.28Å; L186-L190 WeakPolarHBondContact O-CB 3.36Å; L186-L190 PolarHBondContact O-N 2.88Å; L190-Y194 HydrophobicContact CD2-CD1 3.58Å; L190-Y194 HydrophobicContact CD2-CE1 3.22Å
191T98.3Very high96.1Very high60 Ų6068.1 Ų68.137%0.36836%0.363SS..  trans-77.6160.2173.566.20000111.6L189 T193 Y194 I195L189-T191 PolarHBondContact O-N 3.21Å; T191-T193 VanDerWaalsContact C-N 3.25Å; T191-T193 PolarHBondContact O-N 2.99Å; T191-Y194 WeakPolarHBondContact O-CA 3.48Å; T191-Y194 WeakPolarHBondContact O-CB 3.14Å; T191-Y194 PolarHBondContact O-N 2.67Å; T191-Y194 WeakPolarHBondContact OG1-CB 3.28Å; T191-Y194 PolarHBondContact OG1-N 2.9Å; T191-I195 WeakPolarHBondContact O-CG1 3.1Å; T191-I195 PolarHBondContact O-N 3.33Å
192P98.2Very high96.4Very high50 Ų5059.7 Ų59.733%0.32532%0.323SS..Hα-helixtrans-54.3-39.3175-2836000113.7Q158 I195 T196Q158-P192 HydrophobicContact CB-CG 4.06Å; Q158-P192 HydrophobicContact CG-CG 3.53Å; P192-I195 PolarHBondContact O-N 2.9Å; P192-T196 PolarHBondContact O-N 3.2Å; P192-T196 PolarHBondContact O-OG1 3.17Å
193T98.3Very high96.8Very high115 Ų11559.3 Ų59.371%0.70632%0.32SS*.Hα-helixtrans-64.9-40.1176.5-53.10000111.9T191 K197T191-T193 VanDerWaalsContact C-N 3.25Å; T191-T193 PolarHBondContact O-N 2.99Å; T193-K197 WeakPolarHBondContact O-CB 3.44Å; T193-K197 PolarHBondContact O-N 2.87Å
194Y98.4Very high97.3Very high53 Ų5357.8 Ų57.821%0.20831%0.307CS..Hα-helixtrans-61.7-45.6174.7178.1-82.8000111.1C169 L189 L190 T191 K197 K198C169-Y194 HydrophobicContact CB-CE1 4.26Å; L189-Y194 HydrophobicContact CD1-CD2 4.33Å; L189-Y194 HydrophobicContact CD1-CE2 3.9Å; L189-Y194 HydrophobicContact CG-CD2 4.49Å; L189-Y194 HydrophobicContact CG-CE2 4.06Å; L189-Y194 WeakPolarHBondContact O-CB 3.5Å; L190-Y194 HydrophobicContact CD2-CD1 3.58Å; L190-Y194 HydrophobicContact CD2-CE1 3.22Å; T191-Y194 WeakPolarHBondContact O-CA 3.48Å; T191-Y194 WeakPolarHBondContact O-CB 3.14Å; T191-Y194 PolarHBondContact O-N 2.67Å; T191-Y194 WeakPolarHBondContact OG1-CB 3.28Å; T191-Y194 PolarHBondContact OG1-N 2.9Å; Y194-K197 WeakPolarHBondContact O-CB 3.41Å; Y194-K197 PolarHBondContact O-N 2.85Å; Y194-K198 HydrophobicContact CD1-CG 3.95Å; Y194-K198 HydrophobicContact CE1-CD 4.27Å; Y194-K198 HydrophobicContact CE1-CG 3.51Å; Y194-K198 PolarHBondContact O-N 2.71Å; Y194-K198 WeakPolarHBondContact OH-CE 3.5Å
195I98.6Very high97.8Very high0 Ų056 Ų560%030%0.3CS..Hα-helixtrans-61.9-45.6179.3-65.5-61.6000111.6D162 M165 Y166 C169 T191 P192 K197 K198 R199D162-I195 HydrophobicContact CB-CG2 3.92Å; M165-I195 HydrophobicContact CB-CG2 3.57Å; M165-I195 HydrophobicContact CG-CG2 4.22Å; Y166-I195 HydrophobicContact CD1-CD1 4.07Å; Y166-I195 HydrophobicContact CD1-CG1 4.31Å; Y166-I195 HydrophobicContact CD2-CG1 4.41Å; Y166-I195 HydrophobicContact CE1-CD1 4.09Å; Y166-I195 HydrophobicContact CE1-CG1 3.86Å; Y166-I195 HydrophobicContact CE2-CG1 3.95Å; Y166-I195 HydrophobicContact CE2-CG2 4.37Å; Y166-I195 HydrophobicContact CG-CD1 4.29Å; C169-I195 HydrophobicContact CB-CD1 3.74Å; T191-I195 WeakPolarHBondContact O-CG1 3.1Å; T191-I195 PolarHBondContact O-N 3.33Å; P192-I195 PolarHBondContact O-N 2.9Å; I195-K197 VanDerWaalsContact C-N 3.33Å; I195-K197 PolarHBondContact O-N 3.07Å; I195-K198 PolarHBondContact O-N 3.49Å; I195-R199 PolarHBondContact O-N 2.59Å; I195-R199 VanDerWaalsContact O-N 3.16Å
196T98.4Very high97.9Very high68 Ų6853.8 Ų53.842%0.41728%0.284SS..Hα-helixtrans-61.9-40.9175.1-60.40000111.9P192 R199P192-T196 PolarHBondContact O-N 3.2Å; P192-T196 PolarHBondContact O-OG1 3.17Å; T196-R199 WeakPolarHBondContact O-CB 3.5Å; T196-R199 PolarHBondContact O-N 3.43Å
197K98.6Very high98.1Very high134 Ų13455 Ų5558%0.58330%0.297SS*.Hα-helixtrans-61.6-44.4175.4-174.3-176-176.5-115.20111.3T193 Y194 I195 R199 G200 E201T193-K197 WeakPolarHBondContact O-CB 3.44Å; T193-K197 PolarHBondContact O-N 2.87Å; Y194-K197 WeakPolarHBondContact O-CB 3.41Å; Y194-K197 PolarHBondContact O-N 2.85Å; I195-K197 VanDerWaalsContact C-N 3.33Å; I195-K197 PolarHBondContact O-N 3.07Å; K197-R199 VanDerWaalsContact C-N 3.29Å; K197-R199 PolarHBondContact O-N 3.07Å; K197-G200 PolarHBondContact O-N 3.44Å; K197-E201 VanDerWaalsContact CE-OE1 3.26Å; K197-E201 WeakPolarHBondContact CE-OE1 3.48Å; K197-E201 IonicContact NZ-OE1 2.69Å; K197-E201 PolarHBondContact NZ-OE1 3.25Å; K197-E201 PolarHBondContact O-N 2.97Å; K197-E201 VanDerWaalsContact O-N 3.12Å
198K98.7Very high98.3Very high24 Ų2454.8 Ų54.810%0.10430%0.299CS..Hα-helixtrans-60.9-34.2179.8-83.7-78.4174.31730113.1M165 E172 Y194 I195 G200 E201 W202M165-K198 HydrophobicContact CE-CB 3.61Å; E172-K198 IonicContact OE1-NZ 3.3Å; E172-K198 PolarHBondContact OE1-NZ 2.69Å; E172-K198 IonicContact OE2-NZ 2.74Å; E172-K198 PolarHBondContact OE2-NZ 3.35Å; Y194-K198 HydrophobicContact CD1-CG 3.95Å; Y194-K198 HydrophobicContact CE1-CD 4.27Å; Y194-K198 HydrophobicContact CE1-CG 3.51Å; Y194-K198 PolarHBondContact O-N 2.71Å; Y194-K198 WeakPolarHBondContact OH-CE 3.5Å; I195-K198 PolarHBondContact O-N 3.49Å; K198-G200 VanDerWaalsContact C-N 3.29Å; K198-G200 PolarHBondContact O-N 3.36Å; K198-E201 VanDerWaalsContact CD-OE2 3.25Å; K198-E201 WeakPolarHBondContact CD-OE2 3.5Å; K198-E201 WeakPolarHBondContact CE-OE2 3.43Å; K198-E201 IonicContact NZ-OE2 3.14Å; K198-E201 PolarHBondContact NZ-OE2 3.1Å; K198-E201 PolarHBondContact O-N 3.32Å; K198-W202 PolarHBondContact O-N 3.02Å
199R98.7Very high98.4Very high4 Ų448.4 Ų48.42%0.01527%0.269CS..Hα-helixtrans-55.4-44.6172.1-76.5175.7168.2-86.62.4112.4L20 L21 S25 Y161 D162 M165 I195 T196 K197 K203L20-R199 PolarHBondContact O-NH1 3.37Å; L21-R199 WeakPolarHBondContact O-CB 3.48Å; L21-R199 WeakPolarHBondContact O-CD 3.34Å; L21-R199 PolarHBondContact O-NH1 3.09Å; L21-R199 VanDerWaalsContact O-NH1 3.1Å; S25-R199 PolarHBondContact O-NH1 3.23Å; S25-R199 PolarHBondContact O-NH2 2.93Å; Y161-R199 PolarHBondContact O-NH2 3.22Å; D162-R199 IonicContact OD1-CZ 3.4Å; D162-R199 VanDerWaalsContact OD1-CZ 3.22Å; D162-R199 IonicContact OD1-NE 3.29Å; D162-R199 PolarHBondContact OD1-NE 2.88Å; D162-R199 IonicContact OD1-NH2 2.76Å; D162-R199 PolarHBondContact OD1-NH2 2.99Å; M165-R199 HydrophobicContact CE-CG 3.85Å; M165-R199 HydrophobicContact CG-CG 3.57Å; M165-R199 HydrophobicContact SD-CG 3.5Å; M165-R199 VanDerWaalsContact SD-CG 3.5Å; I195-R199 PolarHBondContact O-N 2.59Å; I195-R199 VanDerWaalsContact O-N 3.16Å; T196-R199 WeakPolarHBondContact O-CB 3.5Å; T196-R199 PolarHBondContact O-N 3.43Å; K197-R199 VanDerWaalsContact C-N 3.29Å; K197-R199 PolarHBondContact O-N 3.07Å; R199-K203 PolarHBondContact O-N 2.89Å; R199-K203 VanDerWaalsContact O-N 3.12Å
200G98.6Very high98.4Very high33 Ų3348.5 Ų48.534%0.3428%0.276SS..Hα-helixtrans-64.2-46.8175.300000112.3K197 K198 W202 K203 D204K197-G200 PolarHBondContact O-N 3.44Å; K198-G200 VanDerWaalsContact C-N 3.29Å; K198-G200 PolarHBondContact O-N 3.36Å; G200-W202 VanDerWaalsContact C-N 3.34Å; G200-W202 PolarHBondContact O-N 3.22Å; G200-K203 WeakPolarHBondContact O-CB 3.33Å; G200-K203 PolarHBondContact O-N 2.69Å; G200-K203 VanDerWaalsContact O-N 3.11Å; G200-D204 PolarHBondContact O-N 2.74Å
201E98.8Very high98.1Very high67 Ų6756.6 Ų56.631%0.31331%0.311SS..Hα-helixtrans-59.9-41.2178.7-66.3177.1-178.500112.5K197 K198 D204 L205K197-E201 VanDerWaalsContact CE-OE1 3.26Å; K197-E201 WeakPolarHBondContact CE-OE1 3.48Å; K197-E201 IonicContact NZ-OE1 2.69Å; K197-E201 PolarHBondContact NZ-OE1 3.25Å; K197-E201 PolarHBondContact O-N 2.97Å; K197-E201 VanDerWaalsContact O-N 3.12Å; K198-E201 VanDerWaalsContact CD-OE2 3.25Å; K198-E201 WeakPolarHBondContact CD-OE2 3.5Å; K198-E201 WeakPolarHBondContact CE-OE2 3.43Å; K198-E201 IonicContact NZ-OE2 3.14Å; K198-E201 PolarHBondContact NZ-OE2 3.1Å; K198-E201 PolarHBondContact O-N 3.32Å; E201-D204 PolarHBondContact O-N 2.99Å; E201-L205 WeakPolarHBondContact O-CB 3.46Å; E201-L205 PolarHBondContact O-N 2.71Å
202W98.8Very high96.9Very high11 Ų1164.4 Ų64.44%0.04234%0.34CS..Hα-helixtrans-65.6-38.4175-83.9102.9000112.3L21 F34 A35 Y38 F39 I168 K198 G200 L205 I206L21-W202 HydrophobicContact CD1-CB 4.33Å; L21-W202 HydrophobicContact CD2-CB 4.15Å; F34-W202 HydrophobicContact CD1-CE3 4.29Å; F34-W202 HydrophobicContact CD1-CZ3 4.18Å; F34-W202 AromaticContact CE1-CE3 3.76Å; F34-W202 HydrophobicContact CE1-CE3 3.76Å; F34-W202 AromaticContact CE1-CZ3 3.69Å; F34-W202 HydrophobicContact CE1-CZ3 3.69Å; F34-W202 HydrophobicContact CZ-CZ3 4.44Å; A35-W202 HydrophobicContact CB-CE3 4.48Å; A35-W202 HydrophobicContact CB-CH2 3.53Å; A35-W202 HydrophobicContact CB-CZ2 3.92Å; A35-W202 HydrophobicContact CB-CZ3 3.84Å; Y38-W202 AromaticContact CD1-CH2 3.89Å; Y38-W202 HydrophobicContact CD1-CH2 3.89Å; Y38-W202 HydrophobicContact CD1-CZ3 4.11Å; Y38-W202 HydrophobicContact CG-CH2 4.44Å; Y38-W202 HydrophobicContact CG-CZ3 4.33Å; F39-W202 HydrophobicContact CD1-CH2 4.39Å; F39-W202 AromaticContact CE1-CH2 3.7Å; F39-W202 HydrophobicContact CE1-CH2 3.7Å; F39-W202 AromaticContact CE1-CZ2 3.61Å; F39-W202 HydrophobicContact CE1-CZ2 3.61Å; F39-W202 AromaticContact CZ-CH2 3.92Å; F39-W202 HydrophobicContact CZ-CH2 3.92Å; F39-W202 AromaticContact CZ-CZ2 3.57Å; F39-W202 HydrophobicContact CZ-CZ2 3.57Å; I168-W202 HydrophobicContact CG2-CH2 4.47Å; I168-W202 HydrophobicContact CG2-CZ2 3.5Å; K198-W202 PolarHBondContact O-N 3.02Å; G200-W202 VanDerWaalsContact C-N 3.34Å; G200-W202 PolarHBondContact O-N 3.22Å; W202-L205 HydrophobicContact CE3-CD2 3.84Å; W202-L205 HydrophobicContact CH2-CD2 4.47Å; W202-L205 HydrophobicContact CZ3-CD2 3.74Å; W202-L205 PolarHBondContact O-N 3.19Å; W202-I206 WeakPolarHBondContact O-CD1 3.41Å; W202-I206 VanDerWaalsContact O-CG1 3.3Å; W202-I206 WeakPolarHBondContact O-CG1 3.35Å; W202-I206 PolarHBondContact O-N 3.47Å
203K98.3Very high96.8Very high64 Ų6465.1 Ų65.128%0.27834%0.341SS..Hα-helixtrans-64.6-42.8175.7-160.1179.3-168179.60111.5V18 L21 D22 R199 G200 I206 A207V18-K203 HydrophobicContact CG1-CG 4.11Å; L21-K203 HydrophobicContact CD1-CB 4.06Å; L21-K203 HydrophobicContact CD1-CG 4.41Å; D22-K203 IonicContact OD1-NZ 3.65Å; D22-K203 PolarHBondContact OD1-NZ 2.69Å; D22-K203 IonicContact OD2-NZ 3.85Å; D22-K203 PolarHBondContact OD2-NZ 3.1Å; R199-K203 PolarHBondContact O-N 2.89Å; R199-K203 VanDerWaalsContact O-N 3.12Å; G200-K203 WeakPolarHBondContact O-CB 3.33Å; G200-K203 PolarHBondContact O-N 2.69Å; G200-K203 VanDerWaalsContact O-N 3.11Å; K203-I206 PolarHBondContact O-N 3.07Å; K203-A207 PolarHBondContact O-N 3.13Å
204D98.6Very high96.8Very high109 Ų10962.5 Ų62.558%0.58332%0.321SS*.Hα-helixtrans-65.5-38.5176.4-70.9-22.4000111.9G200 E201 A207 T208G200-D204 PolarHBondContact O-N 2.74Å; E201-D204 PolarHBondContact O-N 2.99Å; D204-A207 PolarHBondContact O-N 3.43Å; D204-T208 WeakPolarHBondContact O-CB 3.2Å; D204-T208 PolarHBondContact O-N 3.11Å; D204-T208 PolarHBondContact O-OG1 3.06Å
205L98.7Very high96.7Very high37 Ų3763 Ų6319%0.19433%0.328CS..Hα-helixtrans-61.5-49.1174.3175.662.3000111.2Y38 E201 W202 A207 T208 L209Y38-L205 HydrophobicContact CD1-CD2 3.92Å; Y38-L205 HydrophobicContact CD2-CD2 4.16Å; Y38-L205 HydrophobicContact CE1-CD2 3.67Å; Y38-L205 HydrophobicContact CE2-CD1 3.96Å; Y38-L205 HydrophobicContact CE2-CD2 3.93Å; Y38-L205 HydrophobicContact CE2-CG 4.41Å; Y38-L205 HydrophobicContact CG-CD2 4.15Å; E201-L205 WeakPolarHBondContact O-CB 3.46Å; E201-L205 PolarHBondContact O-N 2.71Å; W202-L205 HydrophobicContact CE3-CD2 3.84Å; W202-L205 HydrophobicContact CH2-CD2 4.47Å; W202-L205 HydrophobicContact CZ3-CD2 3.74Å; W202-L205 PolarHBondContact O-N 3.19Å; L205-A207 VanDerWaalsContact C-N 3.31Å; L205-A207 PolarHBondContact O-N 3.04Å; L205-T208 WeakPolarHBondContact O-CB 3.42Å; L205-T208 PolarHBondContact O-N 3Å; L205-L209 HydrophobicContact CD1-CD1 4.06Å; L205-L209 HydrophobicContact CD1-CG 4.08Å; L205-L209 HydrophobicContact CG-CD1 4.13Å; L205-L209 HydrophobicContact CG-CG 4.5Å; L205-L209 WeakPolarHBondContact O-CG 3.41Å; L205-L209 PolarHBondContact O-N 3.08Å
206I98.7Very high96.5Very high2 Ų266.7 Ų66.71%0.0135%0.347CS..Hα-helixtrans-57.2-47.3176.9-69.6162.1000110.3V5 L6 L13 V18 L21 I31 F34 W202 K203 T208 L209 A210V5-I206 HydrophobicContact CG1-CG2 4.04Å; L6-I206 HydrophobicContact CB-CG2 4.25Å; L6-I206 HydrophobicContact CD2-CG1 4.43Å; L6-I206 HydrophobicContact CD2-CG2 4.14Å; L13-I206 HydrophobicContact CD1-CD1 3.64Å; L13-I206 HydrophobicContact CD1-CG1 3.91Å; L13-I206 HydrophobicContact CD1-CG2 4.22Å; V18-I206 HydrophobicContact CG1-CG2 4.47Å; V18-I206 HydrophobicContact CG2-CD1 4.44Å; V18-I206 HydrophobicContact CG2-CG2 3.93Å; L21-I206 HydrophobicContact CD1-CD1 3.57Å; I31-I206 HydrophobicContact CD1-CD1 4.38Å; F34-I206 HydrophobicContact CD1-CD1 4.18Å; F34-I206 HydrophobicContact CD1-CG1 4.07Å; F34-I206 HydrophobicContact CE1-CD1 3.94Å; F34-I206 HydrophobicContact CE1-CG1 3.4Å; F34-I206 HydrophobicContact CZ-CG1 3.84Å; W202-I206 WeakPolarHBondContact O-CD1 3.41Å; W202-I206 VanDerWaalsContact O-CG1 3.3Å; W202-I206 WeakPolarHBondContact O-CG1 3.35Å; W202-I206 PolarHBondContact O-N 3.47Å; K203-I206 PolarHBondContact O-N 3.07Å; I206-T208 PolarHBondContact O-N 2.84Å; I206-L209 PolarHBondContact O-N 2.97Å; I206-A210 VanDerWaalsContact O-CB 3.3Å; I206-A210 WeakPolarHBondContact O-CB 3.16Å; I206-A210 PolarHBondContact O-N 2.97Å
207A98.2Very high96.4Very high44 Ų4466.6 Ų66.636%0.36434%0.342SS..Hα-helixtrans-63.6-28.9177.900000113.1K203 D204 L205 K211K203-A207 PolarHBondContact O-N 3.13Å; D204-A207 PolarHBondContact O-N 3.43Å; L205-A207 VanDerWaalsContact C-N 3.31Å; L205-A207 PolarHBondContact O-N 3.04Å; A207-K211 WeakPolarHBondContact O-CD 3.47Å; A207-K211 WeakPolarHBondContact O-CG 3.45Å
208T98.4Very high96.3Very high76 Ų7662.1 Ų62.147%0.46633%0.326SS..Hα-helixtrans-75.7-44.4176.3-61.40000111.4D204 L205 I206 A210 K211D204-T208 WeakPolarHBondContact O-CB 3.2Å; D204-T208 PolarHBondContact O-N 3.11Å; D204-T208 PolarHBondContact O-OG1 3.06Å; L205-T208 WeakPolarHBondContact O-CB 3.42Å; L205-T208 PolarHBondContact O-N 3Å; I206-T208 PolarHBondContact O-N 2.84Å; T208-A210 VanDerWaalsContact C-N 3.35Å; T208-K211 PolarHBondContact O-N 3.2Å
209L98Very high96.1Very high21 Ų2164.9 Ų64.911%0.1134%0.342CS..Hα-helixtrans-67.5-35.5177.7-67175.7000111.9L6 Y8 F34 Y38 L205 I206 K211 K212L6-L209 HydrophobicContact CD1-CB 3.91Å; L6-L209 HydrophobicContact CD2-CB 4.26Å; L6-L209 HydrophobicContact CD2-CD1 4.46Å; Y8-L209 HydrophobicContact CD2-CD1 4.21Å; Y8-L209 HydrophobicContact CE2-CD1 4.34Å; F34-L209 HydrophobicContact CE2-CD1 4.15Å; F34-L209 HydrophobicContact CZ-CD1 3.89Å; Y38-L209 HydrophobicContact CD2-CD1 3.99Å; Y38-L209 HydrophobicContact CE2-CD1 4.08Å; L205-L209 HydrophobicContact CD1-CD1 4.06Å; L205-L209 HydrophobicContact CD1-CG 4.08Å; L205-L209 HydrophobicContact CG-CD1 4.13Å; L205-L209 HydrophobicContact CG-CG 4.5Å; L205-L209 WeakPolarHBondContact O-CG 3.41Å; L205-L209 PolarHBondContact O-N 3.08Å; I206-L209 PolarHBondContact O-N 2.97Å; L209-K211 PolarHBondContact O-N 2.76Å; L209-K211 VanDerWaalsContact O-N 3.15Å; L209-K212 PolarHBondContact O-N 3.32Å; L209-K212 VanDerWaalsContact O-N 3.15Å
210A96.4Very high95.9Very high42 Ų4269.5 Ų69.535%0.34737%0.367SS..THydrogen-bonded Turntrans-66.5-12.6178.300000114.5V5 L6 I206 T208V5-A210 VanDerWaalsContact O-CB 3.25Å; V5-A210 WeakPolarHBondContact O-CB 3.36Å; L6-A210 HydrophobicContact CD1-CB 4.36Å; I206-A210 VanDerWaalsContact O-CB 3.3Å; I206-A210 WeakPolarHBondContact O-CB 3.16Å; I206-A210 PolarHBondContact O-N 2.97Å; T208-A210 VanDerWaalsContact C-N 3.35Å
211K92.9Very high95.7Very high175 Ų17572.6 Ų72.676%0.76137%0.37SS*.THydrogen-bonded Turntrans-92.4-12.3176.7-69.2170.7-174.3173.50113.4A207 T208 L209A207-K211 WeakPolarHBondContact O-CD 3.47Å; A207-K211 WeakPolarHBondContact O-CG 3.45Å; T208-K211 PolarHBondContact O-N 3.2Å; L209-K211 PolarHBondContact O-N 2.76Å; L209-K211 VanDerWaalsContact O-N 3.15Å
212K72.4Confident95.4Very high223 Ų22373.1 Ų73.197%0.9738%0.375SS*.  trans-84.40177.8-68.3-175.8177.3179.80109.9L209L209-K212 PolarHBondContact O-N 3.32Å; L209-K212 VanDerWaalsContact O-N 3.15Å

Retrieved 212 of 212 residues in 422.1 ms (Link to these results)

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