A0A077ZDH8_TRITR Loading...

Reverse transcriptase domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZDH8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 321 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
1M72.2Confident70.9Confident124 Ų12495.5 Ų95.561%0.61155%0.55SS*.  0168.30-68.2-163.2-63.400109.9V14 D16M1-V14 CarbonylContact C-O 3.56Å; M1-V14 WeakPolarHBondContact CA-O 3.22Å; M1-V14 PolarHBondContact N-O 3.44Å; M1-V14 PolarHBondContact O-N 3.12Å; M1-D16 HydrophobicContact CE-CB 3.76Å; M1-D16 VanDerWaalsContact CE-CG 3.41Å; M1-D16 VanDerWaalsContact CE-OD1 3.3Å; M1-D16 WeakPolarHBondContact CE-OD1 3.24Å; M1-D16 HydrophobicContact CG-CB 4.2Å; M1-D16 HydrophobicContact SD-CB 4.34Å
2A72.9Confident71.5Confident68 Ų6896.3 Ų96.356%0.56254%0.537SS*.EExtended strand (participates in β ladder)trans-125.6131.517300000109.1V11 R12A2-V11 HydrophobicContact CB-CG1 3.47Å; A2-V11 VanDerWaalsContact CB-CG1 3.47Å; A2-R12 CarbonylContact C-O 3.52Å; A2-R12 WeakPolarHBondContact CA-O 3.34Å
3A69.8Low71.6Confident40 Ų4098.2 Ų98.233%0.33156%0.556SS.*EExtended strand (participates in β ladder)trans-105.2120174.700000109.2R12 V14A3-R12 PolarHBondContact N-O 3.28Å; A3-R12 PolarHBondContact O-N 3.32Å; A3-V14 HydrophobicContact CB-CG2 3.85Å
4T73.6Confident72.2Confident99 Ų9992.9 Ų92.961%0.60753%0.527SS*.EExtended strand (participates in β ladder)trans-83.3115.6176.4-53.80000109.7R6 V11T4-R6 HydrophobicContact CG2-CG 4.23Å; T4-R6 PolarHBondContact O-N 3.4Å; T4-V11 HydrophobicContact CG2-CG2 4.46Å
5Q70.2Confident73.1Confident47 Ų4789.5 Ų89.522%0.2251%0.506CS..EExtended strand (participates in β ladder)trans-91.587.9170.1-68.1-169.7-23.500109S7 K8 G9 T10Q5-S7 VanDerWaalsContact C-N 3.26Å; Q5-S7 PolarHBondContact O-N 3.21Å; Q5-K8 HydrophobicContact CB-CB 4.26Å; Q5-K8 CarbonylContact O-C 3.59Å; Q5-K8 PolarHBondContact O-N 2.91Å; Q5-G9 PolarHBondContact O-N 3.27Å; Q5-T10 PolarHBondContact N-O 2.67Å; Q5-T10 PolarHBondContact O-N 2.98Å
6R65.3Low74Confident230 Ų23088.7 Ų88.787%0.86850%0.5SS*.G310 helixtrans-55-42-178.7-67.2-175.1-178.8-173.30.8112.4T4 K8 G9T4-R6 HydrophobicContact CG2-CG 4.23Å; T4-R6 PolarHBondContact O-N 3.4Å; R6-K8 PolarHBondContact O-N 3.1Å; R6-K8 VanDerWaalsContact O-N 3.15Å; R6-G9 PolarHBondContact O-N 2.64Å; R6-G9 VanDerWaalsContact O-N 3.13Å
7S60.7Low74.9Confident86 Ų8684 Ų8460%0.60147%0.473SS*.G310 helixtrans-62-21.7178.4580000114.4Q5Q5-S7 VanDerWaalsContact C-N 3.26Å; Q5-S7 PolarHBondContact O-N 3.21Å
8K68.1Low75.8Confident129 Ų12988.2 Ų88.256%0.56148%0.48SS*.G310 helixtrans-111.7-0.6177.8-63.8-170.6-179.8-177.70112.9Q5 R6 T10Q5-K8 HydrophobicContact CB-CB 4.26Å; Q5-K8 CarbonylContact O-C 3.59Å; Q5-K8 PolarHBondContact O-N 2.91Å; R6-K8 PolarHBondContact O-N 3.1Å; R6-K8 VanDerWaalsContact O-N 3.15Å; K8-T10 WeakPolarHBondContact CB-OG1 3.44Å; K8-T10 WeakPolarHBondContact O-CG2 3.44Å; K8-T10 PolarHBondContact O-N 3.34Å; K8-T10 VanDerWaalsContact O-N 3.1Å
9G73Confident76.6Confident72 Ų7290.7 Ų90.774%0.74249%0.488SS*.THydrogen-bonded Turntrans56.623.3-173.400000114.3Q5 R6Q5-G9 PolarHBondContact O-N 3.27Å; R6-G9 PolarHBondContact O-N 2.64Å; R6-G9 VanDerWaalsContact O-N 3.13Å
10T77.7Confident77.3Confident61 Ų6188 Ų8837%0.37447%0.473SS..EExtended strand (participates in β ladder)trans-116.9148.8-173.549.50000111.6Q5 K8Q5-T10 PolarHBondContact N-O 2.67Å; Q5-T10 PolarHBondContact O-N 2.98Å; K8-T10 WeakPolarHBondContact CB-OG1 3.44Å; K8-T10 WeakPolarHBondContact O-CG2 3.44Å; K8-T10 PolarHBondContact O-N 3.34Å; K8-T10 VanDerWaalsContact O-N 3.1Å
11V76.8Confident78.1Confident94 Ų9485.6 Ų85.657%0.5746%0.46SS*.EExtended strand (participates in β ladder)trans-107.3125169.9178.70000108.1A2 T4A2-V11 HydrophobicContact CB-CG1 3.47Å; A2-V11 VanDerWaalsContact CB-CG1 3.47Å; T4-V11 HydrophobicContact CG2-CG2 4.46Å
12R78Confident79.1Confident105 Ų10586.6 Ų86.640%0.39646%0.463SS..EExtended strand (participates in β ladder)trans-104.6124.6176.9-64.2-170.8-178-162.81.6109.7A2 A3 V14A2-R12 CarbonylContact C-O 3.52Å; A2-R12 WeakPolarHBondContact CA-O 3.34Å; A3-R12 PolarHBondContact N-O 3.28Å; A3-R12 PolarHBondContact O-N 3.32Å; R12-V14 HydrophobicContact CB-CG2 4.45Å; R12-V14 PolarHBondContact O-N 3.37Å
13P72.7Confident80Confident121 Ų12191.5 Ų91.579%0.78647%0.468SS*.EExtended strand (participates in β ladder)trans-65.3132.1166.328-31.6000108.8
14V79.3Confident81Confident25 Ų2591.8 Ų91.815%0.15246%0.464CS..  trans-131.8136.5178.2-166.80000108.5M1 A3 R12 F86M1-V14 CarbonylContact C-O 3.56Å; M1-V14 WeakPolarHBondContact CA-O 3.22Å; M1-V14 PolarHBondContact N-O 3.44Å; M1-V14 PolarHBondContact O-N 3.12Å; A3-V14 HydrophobicContact CB-CG2 3.85Å; R12-V14 HydrophobicContact CB-CG2 4.45Å; R12-V14 PolarHBondContact O-N 3.37Å; V14-F86 HydrophobicContact CG1-CD1 3.8Å; V14-F86 HydrophobicContact CG1-CE1 4.49Å; V14-F86 VanDerWaalsContact CG1-O 3.23Å; V14-F86 WeakPolarHBondContact CG1-O 3.35Å; V14-F86 HydrophobicContact CG2-CD1 3.95Å; V14-F86 HydrophobicContact CG2-CE1 4.27Å
15M85.8Confident81.6Confident42 Ų4294.6 Ų94.621%0.20748%0.475CS..  trans-66.3148.6169.3-77.4-170.8-77.600109.9F17 Q70 L81M15-F17 HydrophobicContact CB-CD2 4.09Å; M15-F17 HydrophobicContact CB-CE1 4.25Å; M15-F17 HydrophobicContact CB-CE2 3.64Å; M15-F17 HydrophobicContact CB-CZ 3.76Å; M15-F17 HydrophobicContact CE-CE1 4.24Å; M15-F17 HydrophobicContact CE-CE2 4Å; M15-F17 HydrophobicContact CE-CZ 3.37Å; M15-F17 HydrophobicContact CG-CZ 4.49Å; M15-F17 PolarHBondContact O-N 3.36Å; M15-F17 HydrophobicContact SD-CE1 4.5Å; M15-F17 HydrophobicContact SD-CZ 4.09Å; M15-Q70 HydrophobicContact CE-CB 4.48Å; M15-L81 HydrophobicContact CE-CB 3.38Å; M15-L81 HydrophobicContact CE-CD2 3.24Å; M15-L81 HydrophobicContact CE-CG 3.82Å; M15-L81 HydrophobicContact SD-CB 4.35Å
16D87.3Confident82.1Confident76 Ų7695 Ų9541%0.40648%0.479SS..  trans-85.696.4176.8-167.9-2.8000110.2M1 R18M1-D16 HydrophobicContact CE-CB 3.76Å; M1-D16 VanDerWaalsContact CE-CG 3.41Å; M1-D16 VanDerWaalsContact CE-OD1 3.3Å; M1-D16 WeakPolarHBondContact CE-OD1 3.24Å; M1-D16 HydrophobicContact CG-CB 4.2Å; M1-D16 HydrophobicContact SD-CB 4.34Å; D16-R18 WeakPolarHBondContact OD1-CB 3.46Å; D16-R18 WeakPolarHBondContact OD1-CG 3.24Å; D16-R18 IonicContact OD1-CZ 3.25Å; D16-R18 PolarHBondContact OD1-N 2.9Å; D16-R18 IonicContact OD1-NE 2.68Å; D16-R18 PolarHBondContact OD1-NE 3.48Å; D16-R18 IonicContact OD1-NH2 2.63Å; D16-R18 IonicContact OD2-CZ 2.68Å; D16-R18 IonicContact OD2-NE 3.64Å; D16-R18 PolarHBondContact OD2-NE 2.9Å; D16-R18 IonicContact OD2-NH2 3.06Å; D16-R18 PolarHBondContact OD2-NH2 2.74Å
17F90.8Very high82.6Confident9 Ų991 Ų914%0.03947%0.468CS..  trans-93.15.9179.4-68.5-61.8000113.6M15 Q19 L20 N21 Q70 F86 V88M15-F17 HydrophobicContact CB-CD2 4.09Å; M15-F17 HydrophobicContact CB-CE1 4.25Å; M15-F17 HydrophobicContact CB-CE2 3.64Å; M15-F17 HydrophobicContact CB-CZ 3.76Å; M15-F17 HydrophobicContact CE-CE1 4.24Å; M15-F17 HydrophobicContact CE-CE2 4Å; M15-F17 HydrophobicContact CE-CZ 3.37Å; M15-F17 HydrophobicContact CG-CZ 4.49Å; M15-F17 PolarHBondContact O-N 3.36Å; M15-F17 HydrophobicContact SD-CE1 4.5Å; M15-F17 HydrophobicContact SD-CZ 4.09Å; F17-Q19 PolarHBondContact O-N 3.5Å; F17-L20 HydrophobicContact CD1-CB 4.43Å; F17-L20 HydrophobicContact CD1-CD2 3.74Å; F17-L20 HydrophobicContact CE1-CD2 4.14Å; F17-L20 PolarHBondContact O-N 3.21Å; F17-L20 VanDerWaalsContact O-N 3.16Å; F17-N21 WeakPolarHBondContact O-CB 3.37Å; F17-N21 PolarHBondContact O-N 2.98Å; F17-N21 PolarHBondContact O-ND2 3.37Å; F17-Q70 HydrophobicContact CE1-CB 4.21Å; F17-Q70 HydrophobicContact CE1-CG 3.92Å; F17-Q70 HydrophobicContact CZ-CB 4.48Å; F17-Q70 HydrophobicContact CZ-CG 4.28Å; F17-F86 WeakPolarHBondContact CD2-O 3.36Å; F17-F86 WeakPolarHBondContact CE2-O 3.24Å; F17-V88 HydrophobicContact CD1-CG2 3.88Å; F17-V88 HydrophobicContact CD2-CG2 3.86Å; F17-V88 HydrophobicContact CE1-CG2 3.83Å; F17-V88 HydrophobicContact CE2-CG2 3.79Å; F17-V88 HydrophobicContact CG-CG2 3.87Å; F17-V88 HydrophobicContact CZ-CG2 3.74Å
18R90.3Very high83.1Confident159 Ų15991.1 Ų91.160%0.647%0.465SS*.Hα-helixtrans-54.8-50.4-174.9-72177.9-68.7169.12.1112.2D16 N21 E22D16-R18 WeakPolarHBondContact OD1-CB 3.46Å; D16-R18 WeakPolarHBondContact OD1-CG 3.24Å; D16-R18 IonicContact OD1-CZ 3.25Å; D16-R18 PolarHBondContact OD1-N 2.9Å; D16-R18 IonicContact OD1-NE 2.68Å; D16-R18 PolarHBondContact OD1-NE 3.48Å; D16-R18 IonicContact OD1-NH2 2.63Å; D16-R18 IonicContact OD2-CZ 2.68Å; D16-R18 IonicContact OD2-NE 3.64Å; D16-R18 PolarHBondContact OD2-NE 2.9Å; D16-R18 IonicContact OD2-NH2 3.06Å; D16-R18 PolarHBondContact OD2-NH2 2.74Å; R18-N21 PolarHBondContact O-N 3.38Å; R18-E22 PolarHBondContact O-N 3.42Å
19Q91Very high82.9Confident137 Ų13788.4 Ų88.464%0.6447%0.467SS*.Hα-helixtrans-63.9-44.6177.6-173.9179.919.600112F17 N21 E22 Y23F17-Q19 PolarHBondContact O-N 3.5Å; Q19-N21 VanDerWaalsContact C-N 3.28Å; Q19-N21 PolarHBondContact O-N 3.22Å; Q19-E22 WeakPolarHBondContact O-CB 3.27Å; Q19-E22 PolarHBondContact O-N 3.34Å; Q19-Y23 HydrophobicContact CG-CE2 4.22Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.23Å; Q19-Y23 WeakPolarHBondContact O-CE2 3.32Å
20L91.3Very high82.7Confident35 Ų3590.9 Ų90.918%0.18346%0.463CS..Hα-helixtrans-60.3-40.7178.7178.262.1000111.7F17 E22 Y23 I24 Y69F17-L20 HydrophobicContact CD1-CB 4.43Å; F17-L20 HydrophobicContact CD1-CD2 3.74Å; F17-L20 HydrophobicContact CE1-CD2 4.14Å; F17-L20 PolarHBondContact O-N 3.21Å; F17-L20 VanDerWaalsContact O-N 3.16Å; L20-E22 PolarHBondContact O-N 3.3Å; L20-Y23 PolarHBondContact O-N 2.95Å; L20-I24 HydrophobicContact CD1-CD1 4.12Å; L20-I24 HydrophobicContact CD1-CG1 4.49Å; L20-I24 HydrophobicContact CD2-CD1 4.15Å; L20-I24 HydrophobicContact CG-CD1 3.74Å; L20-I24 HydrophobicContact CG-CG1 4.46Å; L20-Y69 HydrophobicContact CD1-CG 4.48Å
21N93.5Very high82.2Confident39 Ų3991 Ų9121%0.20947%0.467CS..Hα-helixtrans-65.6-17.3-179.2-70.5-23.2000113.3F17 R18 Q19 Y23 G87 V88 N89F17-N21 WeakPolarHBondContact O-CB 3.37Å; F17-N21 PolarHBondContact O-N 2.98Å; F17-N21 PolarHBondContact O-ND2 3.37Å; R18-N21 PolarHBondContact O-N 3.38Å; Q19-N21 VanDerWaalsContact C-N 3.28Å; Q19-N21 PolarHBondContact O-N 3.22Å; N21-Y23 PolarHBondContact O-N 3.27Å; N21-G87 PolarHBondContact ND2-O 3.08Å; N21-V88 WeakPolarHBondContact OD1-CA 3.39Å; N21-N89 HydrophobicContact CB-CB 4.16Å; N21-N89 PolarHBondContact O-ND2 2.96Å; N21-N89 PolarHBondContact OD1-N 3.39Å; N21-N89 PolarHBondContact OD1-OD1 3.27Å
22E93.6Very high82.1Confident145 Ų14588.5 Ų88.568%0.67845%0.45SS*.THydrogen-bonded Turntrans-70.4-19.9172.1-65.4168.8-172.600112.4R18 Q19 L20R18-E22 PolarHBondContact O-N 3.42Å; Q19-E22 WeakPolarHBondContact O-CB 3.27Å; Q19-E22 PolarHBondContact O-N 3.34Å; L20-E22 PolarHBondContact O-N 3.3Å
23Y91.9Very high82Confident170 Ų17087.7 Ų87.767%0.66746%0.457SS*.THydrogen-bonded Turntrans-104.4-1-179-59.7-86.5000113.5Q19 L20 N21Q19-Y23 HydrophobicContact CG-CE2 4.22Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.23Å; Q19-Y23 WeakPolarHBondContact O-CE2 3.32Å; L20-Y23 PolarHBondContact O-N 2.95Å; N21-Y23 PolarHBondContact O-N 3.27Å
24I89.6Confident82.5Confident47 Ų4783.1 Ų83.124%0.24143%0.427CS..  trans-113.8108.3-177.8-57.3174.6000108.7L20 N26 V88 N89 V90L20-I24 HydrophobicContact CD1-CD1 4.12Å; L20-I24 HydrophobicContact CD1-CG1 4.49Å; L20-I24 HydrophobicContact CD2-CD1 4.15Å; L20-I24 HydrophobicContact CG-CD1 3.74Å; L20-I24 HydrophobicContact CG-CG1 4.46Å; I24-N26 PolarHBondContact O-N 3.22Å; I24-V88 HydrophobicContact CD1-CG1 4.13Å; I24-N89 WeakPolarHBondContact CG2-OD1 3.31Å; I24-N89 PolarHBondContact O-ND2 3.43Å; I24-V90 HydrophobicContact CG2-CB 4.29Å; I24-V90 HydrophobicContact CG2-CG1 3.45Å; I24-V90 VanDerWaalsContact CG2-CG1 3.45Å; I24-V90 HydrophobicContact CG2-CG2 3.84Å
25D86.4Confident82.7Confident158 Ų15883.2 Ų83.285%0.84543%0.43SS*.  trans-70.5120.8172.4-67.9-34.1000110.3
26N81.1Confident82.6Confident55 Ų5584.7 Ų84.729%0.29444%0.437SS..  trans-104.1109.9174.3-171.819.6000109.7I24 T28 N89 V90 T93I24-N26 PolarHBondContact O-N 3.22Å; N26-T28 PolarHBondContact O-N 3.07Å; N26-N89 PolarHBondContact ND2-O 2.72Å; N26-V90 HydrophobicContact CB-CG1 3.77Å; N26-T93 PolarHBondContact OD1-OG1 2.68Å
27F76.3Confident82.6Confident147 Ų14782 Ų8265%0.64542%0.421SS*.  trans-76.4106174.9-174.1-104.4000110.5A29F27-A29 HydrophobicContact CD1-CB 4.21Å; F27-A29 HydrophobicContact CE1-CB 3.44Å; F27-A29 VanDerWaalsContact CE1-CB 3.44Å; F27-A29 HydrophobicContact CE2-CB 4.12Å; F27-A29 HydrophobicContact CZ-CB 3.38Å
28T71.7Confident82.5Confident87 Ų8781.5 Ų81.553%0.53442%0.419SS..  trans-89.9-5.4-171.8550000114.6N26 N30 S31N26-T28 PolarHBondContact O-N 3.07Å; T28-N30 PolarHBondContact O-N 3.4Å; T28-S31 VanDerWaalsContact O-CB 3.22Å; T28-S31 WeakPolarHBondContact O-CB 3.38Å; T28-S31 PolarHBondContact O-N 2.92Å; T28-S31 PolarHBondContact O-OG 3.28Å
29A63.3Low82.3Confident73 Ų7375.5 Ų75.560%0.60340%0.397SS*.THydrogen-bonded Turntrans-64.5-27.4-174.800000113.1F27F27-A29 HydrophobicContact CD1-CB 4.21Å; F27-A29 HydrophobicContact CE1-CB 3.44Å; F27-A29 VanDerWaalsContact CE1-CB 3.44Å; F27-A29 HydrophobicContact CE2-CB 4.12Å; F27-A29 HydrophobicContact CZ-CB 3.38Å
30N67.9Low82.1Confident123 Ų12372 Ų7266%0.65838%0.38SS*.THydrogen-bonded Turntrans-97.215.7174.7-70.1-21.1000113T28 K96T28-N30 PolarHBondContact O-N 3.4Å; N30-K96 PolarHBondContact O-NZ 2.78Å
31S68.5Low82Confident64 Ų6470.4 Ų70.445%0.44837%0.372SS..PPolyproline II helixtrans-70142.2177.661.30000111.1T28 V33T28-S31 VanDerWaalsContact O-CB 3.22Å; T28-S31 WeakPolarHBondContact O-CB 3.38Å; T28-S31 PolarHBondContact O-N 2.92Å; T28-S31 PolarHBondContact O-OG 3.28Å; S31-V33 PolarHBondContact O-N 3.49Å
32D73.6Confident81.8Confident41 Ų4168.6 Ų68.622%0.21936%0.362CS..PPolyproline II helixtrans-72.1124175.2-70.6-37.3000109.8K96 Y116D32-K96 VanDerWaalsContact CG-NZ 3.28Å; D32-K96 WeakPolarHBondContact OD1-CE 3.42Å; D32-K96 IonicContact OD1-NZ 3.49Å; D32-K96 PolarHBondContact OD1-NZ 2.8Å; D32-K96 VanDerWaalsContact OD2-CD 3.24Å; D32-K96 WeakPolarHBondContact OD2-CD 3.45Å; D32-K96 WeakPolarHBondContact OD2-CE 3.34Å; D32-K96 IonicContact OD2-NZ 3.59Å; D32-K96 PolarHBondContact OD2-NZ 3.25Å; D32-Y116 HydrophobicContact CB-CD2 3.62Å; D32-Y116 HydrophobicContact CB-CE2 3.5Å; D32-Y116 VanDerWaalsContact CB-CE2 3.5Å
33V76.7Confident81.4Confident89 Ų8966.2 Ų66.254%0.53935%0.347SS..PPolyproline II helixtrans-85.3119.1171.8-178.20000108.2S31 A35 H36 K37S31-V33 PolarHBondContact O-N 3.49Å; V33-A35 VanDerWaalsContact C-N 3.27Å; V33-A35 HydrophobicContact CG1-CB 4.39Å; V33-A35 PolarHBondContact O-N 3.01Å; V33-H36 HydrophobicContact CB-CB 4.16Å; V33-H36 WeakPolarHBondContact O-CB 3.39Å; V33-H36 PolarHBondContact O-N 3.22Å; V33-K37 PolarHBondContact O-N 3.01Å; V33-K37 VanDerWaalsContact O-N 3.07Å
34C82.9Confident81.1Confident24 Ų2460.1 Ų60.116%0.16232%0.324CS..Hα-helixtrans-50.6-44.7-177.7-173.60000112.8H36 K37 L38 H197C34-H36 PolarHBondContact O-N 3.3Å; C34-K37 PolarHBondContact O-N 3.04Å; C34-L38 WeakPolarHBondContact O-CG 3.35Å; C34-L38 PolarHBondContact O-N 2.57Å; C34-H197 PolarHBondContact SG-CD2 3.15Å
35A82.6Confident80.8Confident27 Ų2759.2 Ų59.222%0.22333%0.327CS..Hα-helixtrans-62.1-41.617800000112.9V33 K37 L38 R39V33-A35 VanDerWaalsContact C-N 3.27Å; V33-A35 HydrophobicContact CG1-CB 4.39Å; V33-A35 PolarHBondContact O-N 3.01Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 3.39Å; A35-L38 PolarHBondContact O-N 3.44Å; A35-R39 WeakPolarHBondContact O-CG 3.36Å; A35-R39 PolarHBondContact O-N 2.93Å
36H84Confident80.6Confident73 Ų7355.8 Ų55.834%0.33831%0.312SS..Hα-helixtrans-62.2-43.7176.4178.7-129.1000111.1V33 C34 R39 E40V33-H36 HydrophobicContact CB-CB 4.16Å; V33-H36 WeakPolarHBondContact O-CB 3.39Å; V33-H36 PolarHBondContact O-N 3.22Å; C34-H36 PolarHBondContact O-N 3.3Å; H36-R39 WeakPolarHBondContact O-CB 3.28Å; H36-R39 PolarHBondContact O-N 3.12Å; H36-E40 PolarHBondContact O-N 3.08Å
37K88Confident80.9Confident19 Ų1956 Ų568%0.08331%0.313CS..Hα-helixtrans-64.1-40.9177.1-170.564.349.5-176.20112.6V33 C34 A35 R39 E40 W41 A115 Y116 L156V33-K37 PolarHBondContact O-N 3.01Å; V33-K37 VanDerWaalsContact O-N 3.07Å; C34-K37 PolarHBondContact O-N 3.04Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 3.39Å; K37-R39 VanDerWaalsContact C-N 3.33Å; K37-R39 PolarHBondContact O-N 2.57Å; K37-E40 WeakPolarHBondContact CD-OE2 3.2Å; K37-E40 WeakPolarHBondContact CE-OE2 3.3Å; K37-E40 IonicContact NZ-OE2 2.94Å; K37-E40 PolarHBondContact NZ-OE2 3.5Å; K37-E40 WeakPolarHBondContact O-CB 3.39Å; K37-E40 PolarHBondContact O-N 3.28Å; K37-W41 HydrophobicContact CD-CD2 4.29Å; K37-W41 HydrophobicContact CD-CG 4.46Å; K37-W41 HydrophobicContact CD-CZ2 3.98Å; K37-W41 VanDerWaalsContact CD-NE1 3.31Å; K37-W41 HydrophobicContact CG-CD2 3.94Å; K37-W41 HydrophobicContact CG-CE3 4.48Å; K37-W41 HydrophobicContact CG-CG 4.37Å; K37-W41 HydrophobicContact CG-CH2 4.41Å; K37-W41 HydrophobicContact CG-CZ2 3.85Å; K37-W41 WeakPolarHBondContact O-CB 3.37Å; K37-W41 VanDerWaalsContact O-CG 3.29Å; K37-W41 PolarHBondContact O-N 2.92Å; K37-A115 WeakPolarHBondContact CE-O 3.49Å; K37-A115 PolarHBondContact NZ-O 3.17Å; K37-Y116 HydrophobicContact CB-CD2 3.91Å; K37-Y116 HydrophobicContact CB-CE2 4.45Å; K37-Y116 HydrophobicContact CD-CD2 4.44Å; K37-Y116 HydrophobicContact CG-CD2 3.74Å; K37-Y116 HydrophobicContact CG-CG 4.04Å; K37-L156 HydrophobicContact CG-CD1 4.35Å
38L88.7Confident81.6Confident0 Ų049.2 Ų49.20%028%0.284CS..Hα-helixtrans-61.4-39.4175-77.9174.6000112.4C34 A35 R42 V155 L156 L158 P199 W252C34-L38 WeakPolarHBondContact O-CG 3.35Å; C34-L38 PolarHBondContact O-N 2.57Å; A35-L38 PolarHBondContact O-N 3.44Å; L38-R42 WeakPolarHBondContact O-CB 3.47Å; L38-R42 VanDerWaalsContact O-CG 3.26Å; L38-R42 WeakPolarHBondContact O-CG 3.29Å; L38-R42 PolarHBondContact O-N 3.18Å; L38-V155 HydrophobicContact CD2-CG1 4.5Å; L38-L156 HydrophobicContact CD2-CB 4.21Å; L38-L156 HydrophobicContact CD2-CD1 3.92Å; L38-L156 HydrophobicContact CD2-CG 4.49Å; L38-L156 HydrophobicContact CG-CD1 3.99Å; L38-L158 HydrophobicContact CD1-CD1 4.17Å; L38-L158 HydrophobicContact CD2-CD1 3.83Å; L38-P199 HydrophobicContact CB-CG 4.2Å; L38-P199 HydrophobicContact CD1-CG 4.03Å; L38-W252 HydrophobicContact CD2-CH2 3.93Å; L38-W252 HydrophobicContact CD2-CZ3 4.18Å
39R85.8Confident82.6Confident33 Ų3345.1 Ų45.113%0.12526%0.259CS..Hα-helixtrans-61.6-48.2173.5-64.5160.2-169.9154.17.4111.2A35 H36 K37 W41 R42 R43 E282 S311 T312A35-R39 WeakPolarHBondContact O-CG 3.36Å; A35-R39 PolarHBondContact O-N 2.93Å; H36-R39 WeakPolarHBondContact O-CB 3.28Å; H36-R39 PolarHBondContact O-N 3.12Å; K37-R39 VanDerWaalsContact C-N 3.33Å; K37-R39 PolarHBondContact O-N 2.57Å; R39-W41 PolarHBondContact O-N 3.32Å; R39-R42 PolarHBondContact O-N 3.35Å; R39-R43 WeakPolarHBondContact O-CG 3.27Å; R39-R43 PolarHBondContact O-N 2.97Å; R39-E282 IonicContact CZ-OE1 3.78Å; R39-E282 IonicContact CZ-OE2 3.32Å; R39-E282 VanDerWaalsContact CZ-OE2 3.25Å; R39-E282 IonicContact NE-OE1 3.79Å; R39-E282 IonicContact NE-OE2 3.84Å; R39-E282 PolarHBondContact NE-OE2 3.05Å; R39-E282 IonicContact NH2-OE1 3.12Å; R39-E282 PolarHBondContact NH2-OE1 3.49Å; R39-E282 IonicContact NH2-OE2 2.85Å; R39-E282 PolarHBondContact NH2-OE2 3.05Å; R39-S311 PolarHBondContact NH1-OG 3.45Å; R39-S311 VanDerWaalsContact NH1-OG 3.17Å; R39-T312 HydrophobicContact CG-CG2 4.12Å
40E86.5Confident84.1Confident63 Ų6342 Ų4229%0.29423%0.232SC..Hα-helixtrans-58.2-47.7178.6-177.3-175.7-174.400111.2H36 K37 R43 P114H36-E40 PolarHBondContact O-N 3.08Å; K37-E40 WeakPolarHBondContact CD-OE2 3.2Å; K37-E40 WeakPolarHBondContact CE-OE2 3.3Å; K37-E40 IonicContact NZ-OE2 2.94Å; K37-E40 PolarHBondContact NZ-OE2 3.5Å; K37-E40 WeakPolarHBondContact O-CB 3.39Å; K37-E40 PolarHBondContact O-N 3.28Å; E40-R43 PolarHBondContact O-N 2.92Å; E40-P114 HydrophobicContact CG-CB 4.3Å; E40-P114 VanDerWaalsContact OE1-CB 3.22Å; E40-P114 WeakPolarHBondContact OE1-CB 3.41Å
41W90.1Very high85.4Confident1 Ų136.2 Ų36.20%0.00420%0.201CC..Hα-helixtrans-67.6-37.8-177.8-74-1.2000113.9K37 R39 R43 Q44 P114 D119 F121 V155 L156 W252K37-W41 HydrophobicContact CD-CD2 4.29Å; K37-W41 HydrophobicContact CD-CG 4.46Å; K37-W41 HydrophobicContact CD-CZ2 3.98Å; K37-W41 VanDerWaalsContact CD-NE1 3.31Å; K37-W41 HydrophobicContact CG-CD2 3.94Å; K37-W41 HydrophobicContact CG-CE3 4.48Å; K37-W41 HydrophobicContact CG-CG 4.37Å; K37-W41 HydrophobicContact CG-CH2 4.41Å; K37-W41 HydrophobicContact CG-CZ2 3.85Å; K37-W41 WeakPolarHBondContact O-CB 3.37Å; K37-W41 VanDerWaalsContact O-CG 3.29Å; K37-W41 PolarHBondContact O-N 2.92Å; R39-W41 PolarHBondContact O-N 3.32Å; W41-R43 PolarHBondContact O-N 2.95Å; W41-Q44 WeakPolarHBondContact O-CB 3.37Å; W41-Q44 PolarHBondContact O-N 3.09Å; W41-Q44 VanDerWaalsContact O-N 3.12Å; W41-P114 PolarHBondContact NE1-O 3.22Å; W41-D119 HydrophobicContact CH2-CB 3.71Å; W41-F121 HydrophobicContact CB-CD1 3.82Å; W41-F121 HydrophobicContact CB-CE1 3.7Å; W41-F121 HydrophobicContact CB-CG 4.41Å; W41-F121 HydrophobicContact CB-CZ 4.11Å; W41-F121 AromaticContact CD1-CG 3.92Å; W41-F121 HydrophobicContact CD2-CD1 4.02Å; W41-F121 AromaticContact CD2-CD2 3.38Å; W41-F121 HydrophobicContact CD2-CD2 3.38Å; W41-F121 HydrophobicContact CD2-CE1 4.15Å; W41-F121 AromaticContact CD2-CE2 3.47Å; W41-F121 HydrophobicContact CD2-CE2 3.47Å; W41-F121 VanDerWaalsContact CD2-CE2 3.47Å; W41-F121 AromaticContact CD2-CG 3.71Å; W41-F121 HydrophobicContact CD2-CG 3.71Å; W41-F121 AromaticContact CD2-CZ 3.9Å; W41-F121 HydrophobicContact CD2-CZ 3.9Å; W41-F121 AromaticContact CE2-CD2 3.46Å; W41-F121 VanDerWaalsContact CE2-CD2 3.46Å; W41-F121 AromaticContact CE2-CG 3.78Å; W41-F121 AromaticContact CE3-CD2 3.48Å; W41-F121 HydrophobicContact CE3-CD2 3.48Å; W41-F121 VanDerWaalsContact CE3-CD2 3.48Å; W41-F121 HydrophobicContact CE3-CE1 4.26Å; W41-F121 AromaticContact CE3-CE2 3.08Å; W41-F121 HydrophobicContact CE3-CE2 3.08Å; W41-F121 HydrophobicContact CE3-CG 4.22Å; W41-F121 AromaticContact CE3-CZ 3.57Å; W41-F121 HydrophobicContact CE3-CZ 3.57Å; W41-F121 AromaticContact CG-CD1 3.72Å; W41-F121 HydrophobicContact CG-CD1 3.72Å; W41-F121 AromaticContact CG-CD2 3.99Å; W41-F121 HydrophobicContact CG-CD2 3.99Å; W41-F121 AromaticContact CG-CE1 3.96Å; W41-F121 HydrophobicContact CG-CE1 3.96Å; W41-F121 HydrophobicContact CG-CE2 4.16Å; W41-F121 AromaticContact CG-CG 3.81Å; W41-F121 HydrophobicContact CG-CG 3.81Å; W41-F121 HydrophobicContact CG-CZ 4.18Å; W41-F121 AromaticContact CH2-CD2 3.75Å; W41-F121 HydrophobicContact CH2-CD2 3.75Å; W41-F121 AromaticContact CH2-CE2 3.89Å; W41-F121 HydrophobicContact CH2-CE2 3.89Å; W41-F121 AromaticContact CZ2-CD2 3.67Å; W41-F121 HydrophobicContact CZ2-CD2 3.67Å; W41-F121 HydrophobicContact CZ2-CE2 4.22Å; W41-F121 HydrophobicContact CZ2-CG 4.35Å; W41-F121 AromaticContact CZ3-CD2 3.63Å; W41-F121 HydrophobicContact CZ3-CD2 3.63Å; W41-F121 AromaticContact CZ3-CE2 3.29Å; W41-F121 HydrophobicContact CZ3-CE2 3.29Å; W41-F121 HydrophobicContact CZ3-CZ 4.18Å; W41-F121 AromaticContact NE1-CG 3.86Å; W41-V155 HydrophobicContact CE3-CG1 3.54Å; W41-V155 HydrophobicContact CZ3-CG1 3.54Å; W41-L156 HydrophobicContact CE3-CD1 3.94Å; W41-L156 HydrophobicContact CE3-CG 4.39Å; W41-L156 HydrophobicContact CH2-CD1 4.06Å; W41-L156 HydrophobicContact CH2-CD2 4.38Å; W41-L156 HydrophobicContact CH2-CG 4.21Å; W41-L156 HydrophobicContact CZ3-CD1 3.52Å; W41-L156 HydrophobicContact CZ3-CD2 4.26Å; W41-L156 HydrophobicContact CZ3-CG 3.62Å; W41-W252 HydrophobicContact CB-CH2 4.48Å; W41-W252 HydrophobicContact CB-CZ2 4.1Å
42R89.1Confident86.6Confident2 Ų234.5 Ų34.51%0.00819%0.187CC..Hα-helixtrans-65.9-16.8176.4-76.4177.565.8-164.11.4113.8L38 R39 R251 W252 V254 I280 L281L38-R42 WeakPolarHBondContact O-CB 3.47Å; L38-R42 VanDerWaalsContact O-CG 3.26Å; L38-R42 WeakPolarHBondContact O-CG 3.29Å; L38-R42 PolarHBondContact O-N 3.18Å; R39-R42 PolarHBondContact O-N 3.35Å; R42-R251 PolarHBondContact NH2-O 2.9Å; R42-W252 WeakPolarHBondContact CB-O 3.29Å; R42-W252 HydrophobicContact CG-CD2 3.72Å; R42-W252 HydrophobicContact CG-CE3 3.65Å; R42-W252 HydrophobicContact CG-CG 4.39Å; R42-W252 HydrophobicContact CG-CH2 3.83Å; R42-W252 HydrophobicContact CG-CZ2 3.89Å; R42-W252 HydrophobicContact CG-CZ3 3.71Å; R42-W252 WeakPolarHBondContact CG-O 3.35Å; R42-W252 PolarHBondContact NE-O 3.07Å; R42-V254 PolarHBondContact O-N 3.38Å; R42-I280 PolarHBondContact NH2-O 2.88Å; R42-L281 PolarHBondContact NH1-O 3.12Å
43R85.7Confident87.6Confident94 Ų9432.6 Ų32.636%0.35518%0.177SC..THydrogen-bonded Turntrans-94.81.3176.7-64.9-175.869.2-170.5-2.4113.7R39 E40 W41 G45 T312 M313R39-R43 WeakPolarHBondContact O-CG 3.27Å; R39-R43 PolarHBondContact O-N 2.97Å; E40-R43 PolarHBondContact O-N 2.92Å; W41-R43 PolarHBondContact O-N 2.95Å; R43-G45 VanDerWaalsContact C-N 3.26Å; R43-G45 PolarHBondContact O-N 3.28Å; R43-T312 PolarHBondContact NH1-O 3.31Å; R43-M313 PolarHBondContact NH1-O 3.4Å
44Q85.1Confident88.4Confident42 Ų4234.7 Ų34.720%0.19618%0.175CC..SBendtrans-80-3.9-179-64.5-63-32.700113.8W41 V48 P114W41-Q44 WeakPolarHBondContact O-CB 3.37Å; W41-Q44 PolarHBondContact O-N 3.09Å; W41-Q44 VanDerWaalsContact O-N 3.12Å; Q44-V48 HydrophobicContact CB-CG1 4.11Å; Q44-V48 HydrophobicContact CB-CG2 3.74Å; Q44-V48 WeakPolarHBondContact O-CG2 3.44Å; Q44-P114 HydrophobicContact CG-CG 4.11Å
45G83Confident88.8Confident29 Ų2941.2 Ų41.230%0.29920%0.2SC..  trans87.6-155.9-17700000112.8R43R43-G45 VanDerWaalsContact C-N 3.26Å; R43-G45 PolarHBondContact O-N 3.28Å
46T81.6Confident89.2Confident86 Ų8640.1 Ų40.153%0.52819%0.191SC..SBendtrans-106.4-26.6-17354.30000113.6V48 D253T46-V48 PolarHBondContact O-N 2.92Å; T46-D253 HydrophobicContact CG2-CB 3.64Å
47N88.8Confident89.7Confident60 Ų6038.3 Ų38.332%0.32118%0.182SC..SBendtrans-82.855.6179.9-166.124.4000112E124 D125N47-E124 WeakPolarHBondContact ND2-CB 3.25Å; N47-E124 PolarHBondContact O-N 3.41Å; N47-D125 PolarHBondContact ND2-OD1 3.28Å
48V90.2Very high89.9Confident3 Ų341.2 Ų41.22%0.01820%0.198CC..  trans-132.681.8-166.6-163.50000111.5Q44 T46 F121 V122 L149Q44-V48 HydrophobicContact CB-CG1 4.11Å; Q44-V48 HydrophobicContact CB-CG2 3.74Å; Q44-V48 WeakPolarHBondContact O-CG2 3.44Å; T46-V48 PolarHBondContact O-N 2.92Å; V48-F121 HydrophobicContact CB-CD1 4.39Å; V48-F121 HydrophobicContact CG1-CB 3.99Å; V48-F121 HydrophobicContact CG1-CD1 3.31Å; V48-F121 HydrophobicContact CG1-CE1 3.99Å; V48-F121 HydrophobicContact CG1-CG 3.96Å; V48-V122 VanDerWaalsContact CA-O 3.31Å; V48-V122 WeakPolarHBondContact CA-O 3.2Å; V48-V122 WeakPolarHBondContact CG1-O 3.34Å; V48-L149 HydrophobicContact CB-CD1 4.33Å; V48-L149 WeakPolarHBondContact O-CD1 3.3Å; V48-L149 VanDerWaalsContact O-CG 3.28Å; V48-L149 WeakPolarHBondContact O-CG 3.42Å
49P93.3Very high90.2Very high2 Ų242.6 Ų42.61%0.01320%0.204CC..  trans-68.7165.5169.931.6-39.4000112.6V122 E124 A129 L146 E147 R148P49-V122 WeakPolarHBondContact CD-O 3.42Å; P49-V122 HydrophobicContact CG-CB 4.32Å; P49-V122 PolarHBondContact O-N 2.87Å; P49-E124 HydrophobicContact CG-CG 3.74Å; P49-A129 HydrophobicContact CG-CB 4.18Å; P49-L146 HydrophobicContact CB-CD1 3.64Å; P49-L146 HydrophobicContact CB-CD2 3.97Å; P49-L146 HydrophobicContact CB-CG 3.76Å; P49-L146 HydrophobicContact CG-CD1 4.02Å; P49-L146 HydrophobicContact CG-CD2 4.18Å; P49-L146 HydrophobicContact CG-CG 4.38Å; P49-E147 CarbonylContact C-O 3.2Å; P49-E147 VanDerWaalsContact CA-O 3.3Å; P49-E147 WeakPolarHBondContact CA-O 3.39Å; P49-E147 WeakPolarHBondContact CB-O 3.24Å; P49-R148 HydrophobicContact CB-CG 4.2Å
50I94.4Very high90.7Very high7 Ų741.9 Ų41.94%0.03620%0.202CC..EExtended strand (participates in β ladder)trans-114.4129.5178.1-57.6178.1000109.4I120 F121 E147 L149 V153 V155I50-I120 WeakPolarHBondContact CA-O 3.47Å; I50-F121 HydrophobicContact CD1-CD2 4.06Å; I50-F121 HydrophobicContact CD1-CE2 3.22Å; I50-F121 HydrophobicContact CD1-CZ 3.61Å; I50-F121 HydrophobicContact CG1-CD2 3.72Å; I50-F121 HydrophobicContact CG1-CE2 3.38Å; I50-F121 HydrophobicContact CG1-CG 4.48Å; I50-F121 HydrophobicContact CG1-CZ 3.87Å; I50-E147 PolarHBondContact N-O 3.39Å; I50-E147 PolarHBondContact O-N 3.06Å; I50-E147 VanDerWaalsContact O-N 3.13Å; I50-L149 HydrophobicContact CD1-CD2 3.67Å; I50-L149 HydrophobicContact CG1-CD2 4.16Å; I50-V153 HydrophobicContact CD1-CG1 3.94Å; I50-V155 HydrophobicContact CD1-CB 4.35Å; I50-V155 HydrophobicContact CD1-CG1 4.27Å; I50-V155 HydrophobicContact CD1-CG2 3.38Å
51L94.8Very high91.1Very high1 Ų145.2 Ų45.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-101122.7165.4-72.2173.7000109I120 V122 V132 K133 L136 C143 L146L51-I120 HydrophobicContact CB-CB 4.21Å; L51-I120 PolarHBondContact N-O 3.38Å; L51-I120 PolarHBondContact O-N 2.83Å; L51-V122 HydrophobicContact CD1-CG2 3.67Å; L51-V122 HydrophobicContact CG-CG2 4.04Å; L51-V132 HydrophobicContact CD1-CB 4.14Å; L51-V132 HydrophobicContact CD1-CG1 3.79Å; L51-K133 HydrophobicContact CD1-CB 4.38Å; L51-L136 HydrophobicContact CD1-CD1 4.4Å; L51-C143 HydrophobicContact CD2-CB 4.09Å; L51-L146 HydrophobicContact CD2-CD1 3.42Å; L51-L146 VanDerWaalsContact CD2-CD1 3.42Å; L51-L146 HydrophobicContact CG-CD1 3.73Å
52D92.9Very high91.3Very high29 Ų2946.3 Ų46.316%0.15522%0.224CC..EExtended strand (participates in β ladder)trans-106.5129.6172170.2147.7000109.4R54 C143 K144D52-R54 PolarHBondContact O-N 2.92Å; D52-C143 CarbonylContact O-C 3.53Å; D52-C143 WeakPolarHBondContact O-CA 3.4Å; D52-K144 HydrophobicContact CB-CD 4.19Å; D52-K144 PolarHBondContact O-N 2.68Å; D52-K144 IonicContact OD1-NZ 2.86Å; D52-K144 PolarHBondContact OD1-NZ 2.95Å; D52-K144 WeakPolarHBondContact OD2-CD 3.22Å; D52-K144 WeakPolarHBondContact OD2-CE 3.27Å; D52-K144 IonicContact OD2-NZ 3.77Å; D52-K144 PolarHBondContact OD2-NZ 3.44Å
53L95.2Very high91.6Very high1 Ų150.9 Ų50.91%0.00525%0.249CC..BIsolated β-bridgetrans-72.7124.2177.5-67.6-178.4000111.9K55 A56 M95 V99 D118 I120 L136 L141L53-K55 PolarHBondContact O-N 2.89Å; L53-K55 VanDerWaalsContact O-N 3.13Å; L53-A56 HydrophobicContact CB-CB 3.73Å; L53-A56 HydrophobicContact CD1-CB 4.41Å; L53-A56 PolarHBondContact O-N 3.43Å; L53-M95 HydrophobicContact CD1-SD 4.17Å; L53-V99 HydrophobicContact CD1-CG2 3.6Å; L53-D118 HydrophobicContact CB-CB 4.07Å; L53-D118 PolarHBondContact N-O 2.76Å; L53-I120 HydrophobicContact CD2-CD1 4.38Å; L53-I120 HydrophobicContact CG-CD1 4.29Å; L53-L136 HydrophobicContact CD2-CD1 4.35Å; L53-L141 HydrophobicContact CD2-CB 4.12Å
54R93.4Very high92.1Very high132 Ų13252.9 Ų52.950%0.49826%0.262SS..THydrogen-bonded Turntrans-67.4117179.7-179.2-177.3-70.7-148.5-1.9110.6D52 A56 Q59 S142 K144D52-R54 PolarHBondContact O-N 2.92Å; R54-A56 PolarHBondContact O-N 2.9Å; R54-Q59 WeakPolarHBondContact O-CG 3.39Å; R54-Q59 PolarHBondContact O-NE2 3Å; R54-S142 PolarHBondContact N-O 3.06Å; R54-K144 HydrophobicContact CB-CG 4.29Å
55K91.2Very high92.6Very high161 Ų16155.4 Ų55.470%0.728%0.281SS*.THydrogen-bonded Turntrans50.344178.2-59.9178.5178.11790111L53 Y57 L58L53-K55 PolarHBondContact O-N 2.89Å; L53-K55 VanDerWaalsContact O-N 3.13Å; K55-Y57 PolarHBondContact O-N 3.23Å; K55-Y57 VanDerWaalsContact O-N 3.09Å; K55-L58 HydrophobicContact CB-CB 4.36Å; K55-L58 HydrophobicContact CB-CD1 4.46Å; K55-L58 HydrophobicContact CD-CD1 4.44Å; K55-L58 WeakPolarHBondContact O-CB 3.49Å; K55-L58 PolarHBondContact O-N 3.21Å
56A92.4Very high93.1Very high4 Ų459.6 Ų59.63%0.03329%0.291CS..Hα-helixtrans-36.6-59.5-16600000114.4L53 R54 L58 Q59 M95 D118L53-A56 HydrophobicContact CB-CB 3.73Å; L53-A56 HydrophobicContact CD1-CB 4.41Å; L53-A56 PolarHBondContact O-N 3.43Å; R54-A56 PolarHBondContact O-N 2.9Å; A56-L58 VanDerWaalsContact C-N 3.26Å; A56-L58 PolarHBondContact O-N 3.19Å; A56-Q59 VanDerWaalsContact O-CB 3.25Å; A56-Q59 WeakPolarHBondContact O-CB 3.32Å; A56-Q59 WeakPolarHBondContact O-CG 3.27Å; A56-Q59 PolarHBondContact O-N 2.86Å; A56-M95 HydrophobicContact CB-CE 3.55Å; A56-M95 HydrophobicContact CB-SD 4.06Å; A56-M95 VanDerWaalsContact O-CE 3.23Å; A56-M95 WeakPolarHBondContact O-CE 3.47Å; A56-D118 HydrophobicContact CB-CB 3.49Å; A56-D118 VanDerWaalsContact CB-CB 3.49Å
57Y92.9Very high93.8Very high36 Ų3659.2 Ų59.214%0.14128%0.28CS..Hα-helixtrans-57.4-36.7-177-57.3-56.5000113.6K55 Q59 I60 L84 F86 A91 M95 I117K55-Y57 PolarHBondContact O-N 3.23Å; K55-Y57 VanDerWaalsContact O-N 3.09Å; Y57-Q59 PolarHBondContact O-N 3.09Å; Y57-Q59 VanDerWaalsContact O-N 3.17Å; Y57-I60 PolarHBondContact O-N 3.18Å; Y57-I60 VanDerWaalsContact O-N 3.1Å; Y57-L84 CarbonylContact C-O 3.57Å; Y57-L84 WeakPolarHBondContact CB-O 3.22Å; Y57-L84 HydrophobicContact CD1-CD2 4.01Å; Y57-L84 WeakPolarHBondContact O-CB 3.25Å; Y57-F86 AromaticContact CD2-CD2 3.76Å; Y57-F86 HydrophobicContact CD2-CD2 3.76Å; Y57-F86 AromaticContact CE2-CD2 3.7Å; Y57-F86 HydrophobicContact CE2-CD2 3.7Å; Y57-F86 HydrophobicContact CE2-CE2 4.15Å; Y57-A91 HydrophobicContact CD1-CB 4.01Å; Y57-A91 HydrophobicContact CE1-CB 3.98Å; Y57-A91 WeakPolarHBondContact CE1-O 3.31Å; Y57-M95 HydrophobicContact CD1-CB 4.12Å; Y57-M95 HydrophobicContact CD1-CE 3.61Å; Y57-M95 HydrophobicContact CE1-CB 3.74Å; Y57-M95 HydrophobicContact CE1-CE 4.2Å; Y57-M95 HydrophobicContact CE1-CG 4.23Å; Y57-M95 HydrophobicContact CG-CE 4.3Å; Y57-M95 VanDerWaalsContact N-CE 3.32Å; Y57-I117 HydrophobicContact CE1-CG2 4.33Å; Y57-I117 WeakPolarHBondContact OH-CG2 3.41Å
58L93.3Very high93.9Very high80 Ų8060.2 Ų60.242%0.41929%0.29SS..Hα-helixtrans-72.2-8.4179.2-62.3180000113.5K55 A56 L81 R83K55-L58 HydrophobicContact CB-CB 4.36Å; K55-L58 HydrophobicContact CB-CD1 4.46Å; K55-L58 HydrophobicContact CD-CD1 4.44Å; K55-L58 WeakPolarHBondContact O-CB 3.49Å; K55-L58 PolarHBondContact O-N 3.21Å; A56-L58 VanDerWaalsContact C-N 3.26Å; A56-L58 PolarHBondContact O-N 3.19Å; L58-L81 HydrophobicContact CD2-CD1 4.31Å; L58-L81 HydrophobicContact CD2-CD2 4.24Å; L58-R83 HydrophobicContact CD2-CB 4.06Å; L58-R83 VanDerWaalsContact O-CD 3.25Å; L58-R83 WeakPolarHBondContact O-CD 3.4Å; L58-R83 VanDerWaalsContact O-CG 3.25Å; L58-R83 WeakPolarHBondContact O-CG 3.42Å
59Q95.3Very high94Very high28 Ų2867.1 Ų67.113%0.13132%0.317CS..Hα-helixtrans-80.7-23.6172.6-50.6-161.681.500111.5R54 A56 Y57 R83 G140 L141 S142R54-Q59 WeakPolarHBondContact O-CG 3.39Å; R54-Q59 PolarHBondContact O-NE2 3Å; A56-Q59 VanDerWaalsContact O-CB 3.25Å; A56-Q59 WeakPolarHBondContact O-CB 3.32Å; A56-Q59 WeakPolarHBondContact O-CG 3.27Å; A56-Q59 PolarHBondContact O-N 2.86Å; Y57-Q59 PolarHBondContact O-N 3.09Å; Y57-Q59 VanDerWaalsContact O-N 3.17Å; Q59-R83 PolarHBondContact O-NH1 3.23Å; Q59-G140 PolarHBondContact OE1-O 3.2Å; Q59-L141 HydrophobicContact CB-CD2 4.09Å; Q59-S142 PolarHBondContact NE2-O 2.63Å; Q59-S142 PolarHBondContact OE1-OG 3.22Å
60I95.6Very high94Very high18 Ų1867.5 Ų67.59%0.09232%0.318CS..SBendtrans-83.6122.2-180-57-172.9000109.6Y57 R83 L84 I94 M95 V98Y57-I60 PolarHBondContact O-N 3.18Å; Y57-I60 VanDerWaalsContact O-N 3.1Å; I60-R83 CarbonylContact O-C 3.19Å; I60-R83 WeakPolarHBondContact O-CA 3.3Å; I60-R83 WeakPolarHBondContact O-CB 3.41Å; I60-R83 WeakPolarHBondContact O-CD 3.48Å; I60-L84 HydrophobicContact CB-CB 4.02Å; I60-L84 HydrophobicContact CB-CD2 4.33Å; I60-L84 HydrophobicContact CD1-CD2 4.03Å; I60-L84 HydrophobicContact CG2-CB 4.3Å; I60-L84 HydrophobicContact CG2-CD2 4.43Å; I60-L84 PolarHBondContact O-N 3.19Å; I60-I94 HydrophobicContact CD1-CG2 4.1Å; I60-I94 HydrophobicContact CG2-CG2 4.31Å; I60-M95 HydrophobicContact CD1-CB 4.42Å; I60-M95 HydrophobicContact CD1-CE 3.4Å; I60-M95 VanDerWaalsContact CD1-CE 3.4Å; I60-M95 HydrophobicContact CD1-SD 3.91Å; I60-M95 HydrophobicContact CG1-CE 3.84Å; I60-V98 HydrophobicContact CD1-CB 4.14Å; I60-V98 HydrophobicContact CD1-CG1 4.38Å; I60-V98 HydrophobicContact CD1-CG2 4.08Å
61H95Very high93.8Very high133 Ų13369.4 Ų69.462%0.61633%0.33SS*.BIsolated β-bridgetrans-73.6140.1171.4-65.293.4000110.1R83H61-R83 PolarHBondContact CD2-NH1 3.17Å; H61-R83 VanDerWaalsContact CD2-NH1 3.31Å; H61-R83 PolarHBondContact CD2-NH2 3.26Å; H61-R83 VanDerWaalsContact CE1-CZ 3.47Å; H61-R83 PolarHBondContact CE1-NH1 2.94Å; H61-R83 PolarHBondContact CE1-NH2 2.99Å; H61-R83 PolarHBondContact ND1-NH1 3.23Å; H61-R83 VanDerWaalsContact ND1-NH1 3.12Å; H61-R83 PolarHBondContact NE2-NH1 3.38Å; H61-R83 PolarHBondContact NE2-NH2 3.35Å
62V94.1Very high93.6Very high24 Ų2472.5 Ų72.515%0.14535%0.349CS..PPolyproline II helixtrans-102.6136169.5170.80000107.7F66 W67 T82 L84V62-F66 HydrophobicContact CG1-CB 3.48Å; V62-F66 VanDerWaalsContact CG1-CB 3.48Å; V62-F66 HydrophobicContact CG1-CD2 4.23Å; V62-F66 HydrophobicContact CG1-CG 4.31Å; V62-W67 PolarHBondContact O-NE1 3.22Å; V62-T82 PolarHBondContact N-O 3.37Å; V62-L84 HydrophobicContact CG2-CB 4.09Å; V62-L84 HydrophobicContact CG2-CD1 4.43Å
63D95.8Very high93.5Very high98 Ų9876.4 Ų76.452%0.52437%0.369SS..PPolyproline II helixtrans-55.8145.6177.8-175-94.1000111.1T65 F66 W67D63-T65 PolarHBondContact O-N 3.41Å; D63-T65 VanDerWaalsContact O-N 3.15Å; D63-T65 VanDerWaalsContact OD1-CB 3.27Å; D63-T65 WeakPolarHBondContact OD1-CB 3.31Å; D63-T65 VanDerWaalsContact OD1-CG2 3.28Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.45Å; D63-T65 PolarHBondContact OD1-N 2.65Å; D63-T65 PolarHBondContact OD1-OG1 2.93Å; D63-F66 HydrophobicContact CB-CD2 3.9Å; D63-F66 HydrophobicContact CB-CE2 4.24Å; D63-F66 PolarHBondContact O-N 2.79Å; D63-W67 PolarHBondContact O-NE1 2.95Å
64Q96.1Very high93.1Very high136 Ų13679.7 Ų79.764%0.63639%0.389SS*.G310 helixtrans-58.6-30.4-174.8-172.6172.12.700112.9F66 W67Q64-F66 PolarHBondContact O-N 2.87Å; Q64-W67 HydrophobicContact CB-CD2 4.29Å; Q64-W67 HydrophobicContact CB-CZ2 4.22Å; Q64-W67 HydrophobicContact CG-CD2 3.96Å; Q64-W67 HydrophobicContact CG-CE3 3.81Å; Q64-W67 HydrophobicContact CG-CH2 4.15Å; Q64-W67 HydrophobicContact CG-CZ2 4.3Å; Q64-W67 HydrophobicContact CG-CZ3 3.92Å; Q64-W67 WeakPolarHBondContact O-CB 3.22Å; Q64-W67 PolarHBondContact O-N 2.77Å
65T96.4Very high93.1Very high95 Ų9583.4 Ų83.458%0.58341%0.408SS*.G310 helixtrans-61.1-25.5176.158.80000113.2D63D63-T65 PolarHBondContact O-N 3.41Å; D63-T65 VanDerWaalsContact O-N 3.15Å; D63-T65 VanDerWaalsContact OD1-CB 3.27Å; D63-T65 WeakPolarHBondContact OD1-CB 3.31Å; D63-T65 VanDerWaalsContact OD1-CG2 3.28Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.45Å; D63-T65 PolarHBondContact OD1-N 2.65Å; D63-T65 PolarHBondContact OD1-OG1 2.93Å
66F93.1Very high93.2Very high117 Ų11779.1 Ų79.151%0.51341%0.41SS..G310 helixtrans-96-8-179.7-60.6-63.9000114.2V62 D63 Q64 P68 Y69V62-F66 HydrophobicContact CG1-CB 3.48Å; V62-F66 VanDerWaalsContact CG1-CB 3.48Å; V62-F66 HydrophobicContact CG1-CD2 4.23Å; V62-F66 HydrophobicContact CG1-CG 4.31Å; D63-F66 HydrophobicContact CB-CD2 3.9Å; D63-F66 HydrophobicContact CB-CE2 4.24Å; D63-F66 PolarHBondContact O-N 2.79Å; Q64-F66 PolarHBondContact O-N 2.87Å; F66-P68 VanDerWaalsContact C-N 3.33Å; F66-Y69 HydrophobicContact CB-CD2 4.36Å; F66-Y69 HydrophobicContact CD1-CD2 4.21Å; F66-Y69 HydrophobicContact CD1-CE2 4.25Å; F66-Y69 WeakPolarHBondContact O-CD2 3.12Å; F66-Y69 PolarHBondContact O-N 3.15Å; F66-Y69 VanDerWaalsContact O-N 3.13Å
67W94.8Very high93.4Very high78 Ų7881.7 Ų81.730%0.29543%0.428SS..G310 helixtrans-55.4-38.4179.1-68.47.4000114.2V62 D63 Q64 Y69 Q70 T71 A80 T82V62-W67 PolarHBondContact O-NE1 3.22Å; D63-W67 PolarHBondContact O-NE1 2.95Å; Q64-W67 HydrophobicContact CB-CD2 4.29Å; Q64-W67 HydrophobicContact CB-CZ2 4.22Å; Q64-W67 HydrophobicContact CG-CD2 3.96Å; Q64-W67 HydrophobicContact CG-CE3 3.81Å; Q64-W67 HydrophobicContact CG-CH2 4.15Å; Q64-W67 HydrophobicContact CG-CZ2 4.3Å; Q64-W67 HydrophobicContact CG-CZ3 3.92Å; Q64-W67 WeakPolarHBondContact O-CB 3.22Å; Q64-W67 PolarHBondContact O-N 2.77Å; W67-Y69 PolarHBondContact O-N 3.47Å; W67-Y69 VanDerWaalsContact O-N 3.14Å; W67-Q70 PolarHBondContact O-N 2.97Å; W67-T71 WeakPolarHBondContact O-CG2 3.49Å; W67-A80 HydrophobicContact CB-CB 3.98Å; W67-T82 HydrophobicContact CD2-CG2 3.94Å; W67-T82 HydrophobicContact CE3-CG2 4.12Å; W67-T82 HydrophobicContact CH2-CG2 3.88Å; W67-T82 HydrophobicContact CZ2-CG2 3.67Å; W67-T82 HydrophobicContact CZ3-CG2 4.09Å
68P92.8Very high93.4Very high81 Ų8188.3 Ų88.353%0.52645%0.453SS..G310 helixtrans-58.7-25.8178.4-27.137.4000114.5F66 T71F66-P68 VanDerWaalsContact C-N 3.33Å; P68-T71 WeakPolarHBondContact O-CG2 3.2Å; P68-T71 PolarHBondContact O-OG1 3.06Å
69Y91.9Very high93.3Very high149 Ų14990.9 Ų90.958%0.58446%0.458SS*.G310 helixtrans-83.3-13.1179.9-53.4-69.8000113.4L20 F66 W67L20-Y69 HydrophobicContact CD1-CG 4.48Å; F66-Y69 HydrophobicContact CB-CD2 4.36Å; F66-Y69 HydrophobicContact CD1-CD2 4.21Å; F66-Y69 HydrophobicContact CD1-CE2 4.25Å; F66-Y69 WeakPolarHBondContact O-CD2 3.12Å; F66-Y69 PolarHBondContact O-N 3.15Å; F66-Y69 VanDerWaalsContact O-N 3.13Å; W67-Y69 PolarHBondContact O-N 3.47Å; W67-Y69 VanDerWaalsContact O-N 3.14Å
70Q92.4Very high93.2Very high9 Ų991.7 Ų91.74%0.04247%0.469CS..SBendtrans-116.254.7179.9-57.9-168.892.300110.9M15 F17 W67 L81 R83M15-Q70 HydrophobicContact CE-CB 4.48Å; F17-Q70 HydrophobicContact CE1-CB 4.21Å; F17-Q70 HydrophobicContact CE1-CG 3.92Å; F17-Q70 HydrophobicContact CZ-CB 4.48Å; F17-Q70 HydrophobicContact CZ-CG 4.28Å; W67-Q70 PolarHBondContact O-N 2.97Å; Q70-L81 HydrophobicContact CB-CB 4.15Å; Q70-L81 PolarHBondContact O-N 2.97Å; Q70-R83 PolarHBondContact NE2-O 2.81Å; Q70-R83 PolarHBondContact OE1-O 3.22Å
71T91.5Very high93Very high47 Ų4793.1 Ų93.129%0.28848%0.477SS..EExtended strand (participates in β ladder)trans-108149.2-175.961.50000113.4W67 P68 R78 Y79 A80W67-T71 WeakPolarHBondContact O-CG2 3.49Å; P68-T71 WeakPolarHBondContact O-CG2 3.2Å; P68-T71 PolarHBondContact O-OG1 3.06Å; T71-R78 HydrophobicContact CG2-CG 4.23Å; T71-Y79 CarbonylContact C-O 3.54Å; T71-Y79 WeakPolarHBondContact CA-O 3.47Å; T71-Y79 WeakPolarHBondContact CB-O 3.49Å; T71-A80 HydrophobicContact CG2-CB 3.94Å
72V89.6Confident93Very high67 Ų6789.5 Ų89.541%0.40646%0.464SS..EExtended strand (participates in β ladder)trans-132.3141.2171.264.70000109.3V74 Y79V72-V74 HydrophobicContact CG1-CG2 4.21Å; V72-V74 HydrophobicContact CG2-CG2 4.1Å; V72-Y79 PolarHBondContact N-O 3.44Å; V72-Y79 PolarHBondContact O-N 3.5Å
73I90.1Very high93.1Very high110 Ų11091.9 Ų91.956%0.56447%0.47SS*.EExtended strand (participates in β ladder)trans-98.7120.6173.2-60.1174.8000108.1S77 R78I73-S77 CarbonylContact C-O 3.58Å; I73-S77 WeakPolarHBondContact CA-O 3.3Å; I73-R78 HydrophobicContact CG1-CB 4.42Å; I73-R78 HydrophobicContact CG1-CG 4.47Å
74V87.9Confident93Very high70 Ų7087.5 Ų87.542%0.42445%0.447SS..EExtended strand (participates in β ladder)trans-125.7118.7176.9-179.20000107.8V72 G76 S77 Y79V72-V74 HydrophobicContact CG1-CG2 4.21Å; V72-V74 HydrophobicContact CG2-CG2 4.1Å; V74-G76 VanDerWaalsContact C-N 3.28Å; V74-G76 PolarHBondContact O-N 3.31Å; V74-S77 PolarHBondContact N-O 2.83Å; V74-S77 PolarHBondContact O-N 2.96Å; V74-Y79 HydrophobicContact CB-CD2 4.19Å; V74-Y79 HydrophobicContact CB-CE2 4.08Å; V74-Y79 HydrophobicContact CG2-CD2 4.47Å
75K93.3Very high92.7Very high210 Ų21081 Ų8191%0.91342%0.417SS*.THydrogen-bonded Turntrans5243.4179.1-57.8-178.9179.4-176.80113.3S77K75-S77 PolarHBondContact O-N 3.1Å
76G93.6Very high92.1Very high72 Ų7281.3 Ų81.374%0.74241%0.41SS*.THydrogen-bonded Turntrans81.4-14.8179.800000115.1V74V74-G76 VanDerWaalsContact C-N 3.28Å; V74-G76 PolarHBondContact O-N 3.31Å
77S95.2Very high91.8Very high58 Ų5877.4 Ų77.441%0.40640%0.403SS..EExtended strand (participates in β ladder)trans-92.3133.6176.6-65.60000111.2I73 V74 K75 Y79I73-S77 CarbonylContact C-O 3.58Å; I73-S77 WeakPolarHBondContact CA-O 3.3Å; V74-S77 PolarHBondContact N-O 2.83Å; V74-S77 PolarHBondContact O-N 2.96Å; K75-S77 PolarHBondContact O-N 3.1Å; S77-Y79 VanDerWaalsContact CB-CE2 3.47Å; S77-Y79 WeakPolarHBondContact O-CD2 3.45Å
78R93.3Very high91.6Very high174 Ų17474.2 Ų74.266%0.65739%0.392SS*.EExtended strand (participates in β ladder)trans-88.6127.6173.7-173.1-177.5-63.3-139.62.7109.7T71 I73T71-R78 HydrophobicContact CG2-CG 4.23Å; I73-R78 HydrophobicContact CG1-CB 4.42Å; I73-R78 HydrophobicContact CG1-CG 4.47Å
79Y92.5Very high91.4Very high135 Ų13572.5 Ų72.553%0.52938%0.379SS..EExtended strand (participates in β ladder)trans-116.8140.4174.1-62.1-89000109.1T71 V72 V74 S77T71-Y79 CarbonylContact C-O 3.54Å; T71-Y79 WeakPolarHBondContact CA-O 3.47Å; T71-Y79 WeakPolarHBondContact CB-O 3.49Å; V72-Y79 PolarHBondContact N-O 3.44Å; V72-Y79 PolarHBondContact O-N 3.5Å; V74-Y79 HydrophobicContact CB-CD2 4.19Å; V74-Y79 HydrophobicContact CB-CE2 4.08Å; V74-Y79 HydrophobicContact CG2-CD2 4.47Å; S77-Y79 VanDerWaalsContact CB-CE2 3.47Å; S77-Y79 WeakPolarHBondContact O-CD2 3.45Å
80A92.2Very high91.4Very high45 Ų4566.5 Ų66.537%0.37236%0.357SS..EExtended strand (participates in β ladder)trans-105.6136.2172.300000110W67 T71 T82W67-A80 HydrophobicContact CB-CB 3.98Å; T71-A80 HydrophobicContact CG2-CB 3.94Å; A80-T82 PolarHBondContact O-N 3.06Å
81L92.5Very high91.3Very high48 Ų4866.1 Ų66.125%0.25136%0.356SS..  trans-78.4117.4168.7-172.171.3000108.8M15 L58 Q70 R83 G85M15-L81 HydrophobicContact CE-CB 3.38Å; M15-L81 HydrophobicContact CE-CD2 3.24Å; M15-L81 HydrophobicContact CE-CG 3.82Å; M15-L81 HydrophobicContact SD-CB 4.35Å; L58-L81 HydrophobicContact CD2-CD1 4.31Å; L58-L81 HydrophobicContact CD2-CD2 4.24Å; Q70-L81 HydrophobicContact CB-CB 4.15Å; Q70-L81 PolarHBondContact O-N 2.97Å; L81-R83 WeakPolarHBondContact CD2-O 3.44Å; L81-R83 HydrophobicContact CG-CB 4.43Å; L81-R83 WeakPolarHBondContact CG-O 3.19Å; L81-R83 PolarHBondContact O-N 3.12Å; L81-G85 VanDerWaalsContact CD2-CA 3.4Å
82T94.5Very high91.2Very high56 Ų5666.2 Ų66.234%0.34436%0.357SS..  trans-84.91.3179.9610000113.4V62 W67 A80V62-T82 PolarHBondContact N-O 3.37Å; W67-T82 HydrophobicContact CD2-CG2 3.94Å; W67-T82 HydrophobicContact CE3-CG2 4.12Å; W67-T82 HydrophobicContact CH2-CG2 3.88Å; W67-T82 HydrophobicContact CZ2-CG2 3.67Å; W67-T82 HydrophobicContact CZ3-CG2 4.09Å; A80-T82 PolarHBondContact O-N 3.06Å
83R94.9Very high91.3Very high74 Ų7465.3 Ų65.328%0.27935%0.352SS..BIsolated β-bridgetrans-120.8165.1-178.3-55.8-62.3-177150.1-6.4110.4L58 Q59 I60 H61 Q70 L81 G85L58-R83 HydrophobicContact CD2-CB 4.06Å; L58-R83 VanDerWaalsContact O-CD 3.25Å; L58-R83 WeakPolarHBondContact O-CD 3.4Å; L58-R83 VanDerWaalsContact O-CG 3.25Å; L58-R83 WeakPolarHBondContact O-CG 3.42Å; Q59-R83 PolarHBondContact O-NH1 3.23Å; I60-R83 CarbonylContact O-C 3.19Å; I60-R83 WeakPolarHBondContact O-CA 3.3Å; I60-R83 WeakPolarHBondContact O-CB 3.41Å; I60-R83 WeakPolarHBondContact O-CD 3.48Å; H61-R83 PolarHBondContact CD2-NH1 3.17Å; H61-R83 VanDerWaalsContact CD2-NH1 3.31Å; H61-R83 PolarHBondContact CD2-NH2 3.26Å; H61-R83 VanDerWaalsContact CE1-CZ 3.47Å; H61-R83 PolarHBondContact CE1-NH1 2.94Å; H61-R83 PolarHBondContact CE1-NH2 2.99Å; H61-R83 PolarHBondContact ND1-NH1 3.23Å; H61-R83 VanDerWaalsContact ND1-NH1 3.12Å; H61-R83 PolarHBondContact NE2-NH1 3.38Å; H61-R83 PolarHBondContact NE2-NH2 3.35Å; Q70-R83 PolarHBondContact NE2-O 2.81Å; Q70-R83 PolarHBondContact OE1-O 3.22Å; L81-R83 WeakPolarHBondContact CD2-O 3.44Å; L81-R83 HydrophobicContact CG-CB 4.43Å; L81-R83 WeakPolarHBondContact CG-O 3.19Å; L81-R83 PolarHBondContact O-N 3.12Å; R83-G85 PolarHBondContact O-N 3.02Å; R83-G85 VanDerWaalsContact O-N 3.15Å
84L94Very high91.4Very high7 Ų763.1 Ų63.14%0.03734%0.341CS..  trans-66.1115.3178-178.763.3000110Y57 I60 V62 A91 I94Y57-L84 CarbonylContact C-O 3.57Å; Y57-L84 WeakPolarHBondContact CB-O 3.22Å; Y57-L84 HydrophobicContact CD1-CD2 4.01Å; Y57-L84 WeakPolarHBondContact O-CB 3.25Å; I60-L84 HydrophobicContact CB-CB 4.02Å; I60-L84 HydrophobicContact CB-CD2 4.33Å; I60-L84 HydrophobicContact CD1-CD2 4.03Å; I60-L84 HydrophobicContact CG2-CB 4.3Å; I60-L84 HydrophobicContact CG2-CD2 4.43Å; I60-L84 PolarHBondContact O-N 3.19Å; V62-L84 HydrophobicContact CG2-CB 4.09Å; V62-L84 HydrophobicContact CG2-CD1 4.43Å; L84-A91 HydrophobicContact CD1-CB 4.01Å; L84-A91 HydrophobicContact CD2-CB 3.85Å; L84-A91 HydrophobicContact CG-CB 3.86Å; L84-I94 HydrophobicContact CD1-CD1 4.02Å; L84-I94 HydrophobicContact CD2-CB 4.04Å; L84-I94 HydrophobicContact CD2-CG2 3.88Å
85G90.2Very high91.7Very high0 Ų059.8 Ų59.80%032%0.321CS..  trans-70.7134.1-178.200000113L81 R83 G87 V88L81-G85 VanDerWaalsContact CD2-CA 3.4Å; R83-G85 PolarHBondContact O-N 3.02Å; R83-G85 VanDerWaalsContact O-N 3.15Å; G85-G87 PolarHBondContact O-N 3.48Å; G85-V88 PolarHBondContact O-N 3.43Å
86F84.4Confident91.6Very high101 Ų10151.7 Ų51.744%0.44329%0.285SS..THydrogen-bonded Turntrans-63.9126.4167.3-178.8-103.3000109.8V14 F17 Y57V14-F86 HydrophobicContact CG1-CD1 3.8Å; V14-F86 HydrophobicContact CG1-CE1 4.49Å; V14-F86 VanDerWaalsContact CG1-O 3.23Å; V14-F86 WeakPolarHBondContact CG1-O 3.35Å; V14-F86 HydrophobicContact CG2-CD1 3.95Å; V14-F86 HydrophobicContact CG2-CE1 4.27Å; F17-F86 WeakPolarHBondContact CD2-O 3.36Å; F17-F86 WeakPolarHBondContact CE2-O 3.24Å; Y57-F86 AromaticContact CD2-CD2 3.76Å; Y57-F86 HydrophobicContact CD2-CD2 3.76Å; Y57-F86 AromaticContact CE2-CD2 3.7Å; Y57-F86 HydrophobicContact CE2-CD2 3.7Å; Y57-F86 HydrophobicContact CE2-CE2 4.15Å
87G86.1Confident91.6Very high35 Ų3552.7 Ų52.736%0.36128%0.277SS..THydrogen-bonded Turntrans105.4-10-177.900000114.7N21 G85 N89N21-G87 PolarHBondContact ND2-O 3.08Å; G85-G87 PolarHBondContact O-N 3.48Å; G87-N89 PolarHBondContact O-N 3.48Å
88V90.6Very high91.6Very high11 Ų1152.1 Ų52.17%0.06727%0.271CS..  trans-66.2126.1164.5178.60000108.1F17 N21 I24 G85 V90 A91F17-V88 HydrophobicContact CD1-CG2 3.88Å; F17-V88 HydrophobicContact CD2-CG2 3.86Å; F17-V88 HydrophobicContact CE1-CG2 3.83Å; F17-V88 HydrophobicContact CE2-CG2 3.79Å; F17-V88 HydrophobicContact CG-CG2 3.87Å; F17-V88 HydrophobicContact CZ-CG2 3.74Å; N21-V88 WeakPolarHBondContact OD1-CA 3.39Å; I24-V88 HydrophobicContact CD1-CG1 4.13Å; G85-V88 PolarHBondContact O-N 3.43Å; V88-V90 VanDerWaalsContact C-N 3.28Å; V88-V90 HydrophobicContact CG1-CG2 3.66Å; V88-V90 PolarHBondContact O-N 3.44Å; V88-A91 HydrophobicContact CB-CB 4.23Å; V88-A91 WeakPolarHBondContact O-CB 3.41Å; V88-A91 PolarHBondContact O-N 2.91Å
89N88.9Confident91.7Very high45 Ų4543.9 Ų43.924%0.24124%0.24CC..THydrogen-bonded Turntrans-60.5-33.9-170.863.9-7.6000113.7N21 I24 N26 G87 A91N21-N89 HydrophobicContact CB-CB 4.16Å; N21-N89 PolarHBondContact O-ND2 2.96Å; N21-N89 PolarHBondContact OD1-N 3.39Å; N21-N89 PolarHBondContact OD1-OD1 3.27Å; I24-N89 WeakPolarHBondContact CG2-OD1 3.31Å; I24-N89 PolarHBondContact O-ND2 3.43Å; N26-N89 PolarHBondContact ND2-O 2.72Å; G87-N89 PolarHBondContact O-N 3.48Å; N89-A91 VanDerWaalsContact C-N 3.35Å
90V90.8Very high91.8Very high22 Ų2240.5 Ų40.513%0.13323%0.231CC..THydrogen-bonded Turntrans-83.8-4.9177.6-67.80000113.8I24 N26 V88 T93 I94I24-V90 HydrophobicContact CG2-CB 4.29Å; I24-V90 HydrophobicContact CG2-CG1 3.45Å; I24-V90 VanDerWaalsContact CG2-CG1 3.45Å; I24-V90 HydrophobicContact CG2-CG2 3.84Å; N26-V90 HydrophobicContact CB-CG1 3.77Å; V88-V90 VanDerWaalsContact C-N 3.28Å; V88-V90 HydrophobicContact CG1-CG2 3.66Å; V88-V90 PolarHBondContact O-N 3.44Å; V90-T93 WeakPolarHBondContact O-CB 3.21Å; V90-T93 PolarHBondContact O-N 3.19Å; V90-T93 VanDerWaalsContact O-N 3.08Å; V90-I94 HydrophobicContact CB-CD1 4.36Å; V90-I94 HydrophobicContact CG2-CD1 3.8Å; V90-I94 WeakPolarHBondContact O-CG1 3.36Å; V90-I94 PolarHBondContact O-N 2.9Å
91A91.1Very high92Very high2 Ų243.8 Ų43.82%0.01724%0.238CC..Hα-helixtrans-58.1-42.6-175.100000114.1Y57 L84 V88 N89 T93 I94 M95Y57-A91 HydrophobicContact CD1-CB 4.01Å; Y57-A91 HydrophobicContact CE1-CB 3.98Å; Y57-A91 WeakPolarHBondContact CE1-O 3.31Å; L84-A91 HydrophobicContact CD1-CB 4.01Å; L84-A91 HydrophobicContact CD2-CB 3.85Å; L84-A91 HydrophobicContact CG-CB 3.86Å; V88-A91 HydrophobicContact CB-CB 4.23Å; V88-A91 WeakPolarHBondContact O-CB 3.41Å; V88-A91 PolarHBondContact O-N 2.91Å; N89-A91 VanDerWaalsContact C-N 3.35Å; A91-T93 VanDerWaalsContact C-N 3.31Å; A91-T93 PolarHBondContact O-N 2.67Å; A91-I94 PolarHBondContact O-N 2.99Å; A91-M95 WeakPolarHBondContact O-CB 3.44Å; A91-M95 PolarHBondContact O-N 3.37Å
92P90.3Very high92.2Very high48 Ų4841.9 Ų41.931%0.31223%0.229SC..Hα-helixtrans-59.8-40.5174.3-23.734.8000112.7M95 K96 I117P92-M95 PolarHBondContact O-N 3.03Å; P92-K96 WeakPolarHBondContact O-CB 3.47Å; P92-K96 PolarHBondContact O-N 2.7Å; P92-I117 HydrophobicContact CB-CD1 4.11Å; P92-I117 HydrophobicContact CB-CG1 4.5Å
93T90.8Very high92.3Very high49 Ų4939.4 Ų39.430%0.30121%0.213SC..Hα-helixtrans-65.3-46.1178.4-51.10000111.1N26 V90 A91 M95 K96 V97N26-T93 PolarHBondContact OD1-OG1 2.68Å; V90-T93 WeakPolarHBondContact O-CB 3.21Å; V90-T93 PolarHBondContact O-N 3.19Å; V90-T93 VanDerWaalsContact O-N 3.08Å; A91-T93 VanDerWaalsContact C-N 3.31Å; A91-T93 PolarHBondContact O-N 2.67Å; T93-M95 VanDerWaalsContact C-N 3.34Å; T93-M95 PolarHBondContact O-N 2.94Å; T93-K96 PolarHBondContact O-N 2.73Å; T93-V97 WeakPolarHBondContact O-CG2 3.45Å; T93-V97 PolarHBondContact O-N 3.49Å
94I92.4Very high92.4Very high64 Ų6437.8 Ų37.833%0.32821%0.213SC..Hα-helixtrans-60.6-45.8175.8-65.8169.1000110.3I60 L84 V90 A91 K96 V97 V98I60-I94 HydrophobicContact CD1-CG2 4.1Å; I60-I94 HydrophobicContact CG2-CG2 4.31Å; L84-I94 HydrophobicContact CD1-CD1 4.02Å; L84-I94 HydrophobicContact CD2-CB 4.04Å; L84-I94 HydrophobicContact CD2-CG2 3.88Å; V90-I94 HydrophobicContact CB-CD1 4.36Å; V90-I94 HydrophobicContact CG2-CD1 3.8Å; V90-I94 WeakPolarHBondContact O-CG1 3.36Å; V90-I94 PolarHBondContact O-N 2.9Å; A91-I94 PolarHBondContact O-N 2.99Å; I94-K96 PolarHBondContact O-N 2.95Å; I94-V97 PolarHBondContact O-N 2.95Å; I94-V98 HydrophobicContact CG2-CG2 4.39Å; I94-V98 WeakPolarHBondContact O-CG2 3.42Å; I94-V98 PolarHBondContact O-N 2.74Å
95M93.1Very high92.5Very high0 Ų040.9 Ų40.90%023%0.229CC..Hα-helixtrans-57.4-50.4177-178.157.362.400111.5L53 A56 Y57 I60 A91 P92 T93 V97 V98 V99 I117L53-M95 HydrophobicContact CD1-SD 4.17Å; A56-M95 HydrophobicContact CB-CE 3.55Å; A56-M95 HydrophobicContact CB-SD 4.06Å; A56-M95 VanDerWaalsContact O-CE 3.23Å; A56-M95 WeakPolarHBondContact O-CE 3.47Å; Y57-M95 HydrophobicContact CD1-CB 4.12Å; Y57-M95 HydrophobicContact CD1-CE 3.61Å; Y57-M95 HydrophobicContact CE1-CB 3.74Å; Y57-M95 HydrophobicContact CE1-CE 4.2Å; Y57-M95 HydrophobicContact CE1-CG 4.23Å; Y57-M95 HydrophobicContact CG-CE 4.3Å; Y57-M95 VanDerWaalsContact N-CE 3.32Å; I60-M95 HydrophobicContact CD1-CB 4.42Å; I60-M95 HydrophobicContact CD1-CE 3.4Å; I60-M95 VanDerWaalsContact CD1-CE 3.4Å; I60-M95 HydrophobicContact CD1-SD 3.91Å; I60-M95 HydrophobicContact CG1-CE 3.84Å; A91-M95 WeakPolarHBondContact O-CB 3.44Å; A91-M95 PolarHBondContact O-N 3.37Å; P92-M95 PolarHBondContact O-N 3.03Å; T93-M95 VanDerWaalsContact C-N 3.34Å; T93-M95 PolarHBondContact O-N 2.94Å; M95-V97 VanDerWaalsContact C-N 3.33Å; M95-V97 PolarHBondContact O-N 3.07Å; M95-V98 PolarHBondContact O-N 2.81Å; M95-V99 HydrophobicContact CG-CG2 4.22Å; M95-V99 WeakPolarHBondContact O-CB 3.39Å; M95-V99 VanDerWaalsContact O-CG2 3.31Å; M95-V99 WeakPolarHBondContact O-CG2 3.38Å; M95-V99 PolarHBondContact O-N 3.5Å; M95-V99 HydrophobicContact SD-CG2 3.59Å; M95-V99 VanDerWaalsContact SD-CG2 3.59Å; M95-I117 HydrophobicContact CB-CG2 4.16Å; M95-I117 HydrophobicContact CG-CG2 3.79Å
96K92.2Very high92.8Very high40 Ų4043.4 Ų43.417%0.17425%0.245CC..Hα-helixtrans-53.8-49.2176.5176.3-175.5177.9168.20111.5N30 D32 P92 T93 I94 N100N30-K96 PolarHBondContact O-NZ 2.78Å; D32-K96 VanDerWaalsContact CG-NZ 3.28Å; D32-K96 WeakPolarHBondContact OD1-CE 3.42Å; D32-K96 IonicContact OD1-NZ 3.49Å; D32-K96 PolarHBondContact OD1-NZ 2.8Å; D32-K96 VanDerWaalsContact OD2-CD 3.24Å; D32-K96 WeakPolarHBondContact OD2-CD 3.45Å; D32-K96 WeakPolarHBondContact OD2-CE 3.34Å; D32-K96 IonicContact OD2-NZ 3.59Å; D32-K96 PolarHBondContact OD2-NZ 3.25Å; P92-K96 WeakPolarHBondContact O-CB 3.47Å; P92-K96 PolarHBondContact O-N 2.7Å; T93-K96 PolarHBondContact O-N 2.73Å; I94-K96 PolarHBondContact O-N 2.95Å; K96-N100 WeakPolarHBondContact CG-ND2 3.39Å; K96-N100 WeakPolarHBondContact O-CB 3.28Å; K96-N100 PolarHBondContact O-N 2.95Å; K96-N100 PolarHBondContact O-ND2 2.91Å
97V93Very high93.2Very high92 Ų9243.1 Ų43.156%0.55825%0.253SS*.Hα-helixtrans-62.1-47.2-178.9170.60000111.1T93 I94 M95 H101T93-V97 WeakPolarHBondContact O-CG2 3.45Å; T93-V97 PolarHBondContact O-N 3.49Å; I94-V97 PolarHBondContact O-N 2.95Å; M95-V97 VanDerWaalsContact C-N 3.33Å; M95-V97 PolarHBondContact O-N 3.07Å; V97-H101 WeakPolarHBondContact O-CB 3.3Å; V97-H101 PolarHBondContact O-N 3.46Å
98V95Very high93.6Very high47 Ų4746.3 Ų46.329%0.28526%0.262SS..Hα-helixtrans-64.1-48.7-179.6170.90000111.2I60 I94 M95 H101 V102 L141I60-V98 HydrophobicContact CD1-CB 4.14Å; I60-V98 HydrophobicContact CD1-CG1 4.38Å; I60-V98 HydrophobicContact CD1-CG2 4.08Å; I94-V98 HydrophobicContact CG2-CG2 4.39Å; I94-V98 WeakPolarHBondContact O-CG2 3.42Å; I94-V98 PolarHBondContact O-N 2.74Å; M95-V98 PolarHBondContact O-N 2.81Å; V98-H101 PolarHBondContact O-N 3.39Å; V98-V102 WeakPolarHBondContact O-CG2 3.47Å; V98-V102 PolarHBondContact O-N 3.07Å; V98-L141 HydrophobicContact CG1-CD1 4.48Å
99V95.7Very high93.8Very high1 Ų145.9 Ų45.91%0.00626%0.259CS..Hα-helixtrans-63.3-49.5-179.3172.50000110.7L53 M95 H101 V102 L103 A115 I120 L141L53-V99 HydrophobicContact CD1-CG2 3.6Å; M95-V99 HydrophobicContact CG-CG2 4.22Å; M95-V99 WeakPolarHBondContact O-CB 3.39Å; M95-V99 VanDerWaalsContact O-CG2 3.31Å; M95-V99 WeakPolarHBondContact O-CG2 3.38Å; M95-V99 PolarHBondContact O-N 3.5Å; M95-V99 HydrophobicContact SD-CG2 3.59Å; M95-V99 VanDerWaalsContact SD-CG2 3.59Å; V99-H101 VanDerWaalsContact C-N 3.3Å; V99-H101 PolarHBondContact O-N 3.33Å; V99-V102 PolarHBondContact O-N 3.17Å; V99-L103 HydrophobicContact CG1-CD1 3.68Å; V99-L103 HydrophobicContact CG1-CG 4.26Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 3.36Å; V99-A115 HydrophobicContact CG1-CB 3.97Å; V99-I120 HydrophobicContact CG1-CD1 3.93Å; V99-I120 HydrophobicContact CG1-CG1 4.29Å; V99-L141 HydrophobicContact CG2-CD1 4.31Å
100N94.8Very high94.1Very high63 Ų6349.2 Ų49.234%0.33727%0.273SS..Hα-helixtrans-62.1-38.6178.7-73.1-18000112K96 L103 S104K96-N100 WeakPolarHBondContact CG-ND2 3.39Å; K96-N100 WeakPolarHBondContact O-CB 3.28Å; K96-N100 PolarHBondContact O-N 2.95Å; K96-N100 PolarHBondContact O-ND2 2.91Å; N100-L103 PolarHBondContact O-N 2.83Å; N100-S104 VanDerWaalsContact O-CB 3.24Å; N100-S104 WeakPolarHBondContact O-CB 3.26Å; N100-S104 PolarHBondContact O-N 3.11Å; N100-S104 PolarHBondContact O-OG 3.49Å
101H96.4Very high94.2Very high115 Ų11555.6 Ų55.653%0.53230%0.299SS..Hα-helixtrans-60.8-51.9175-179.760.5000110.7V97 V98 V99 L103 S104 L105V97-H101 WeakPolarHBondContact O-CB 3.3Å; V97-H101 PolarHBondContact O-N 3.46Å; V98-H101 PolarHBondContact O-N 3.39Å; V99-H101 VanDerWaalsContact C-N 3.3Å; V99-H101 PolarHBondContact O-N 3.33Å; H101-L103 VanDerWaalsContact C-N 3.33Å; H101-L103 PolarHBondContact O-N 3Å; H101-S104 PolarHBondContact O-N 3.21Å; H101-S104 VanDerWaalsContact O-N 3.12Å; H101-S104 PolarHBondContact O-OG 3.03Å; H101-L105 WeakPolarHBondContact O-CG 3.43Å; H101-L105 PolarHBondContact O-N 3.48Å
102V97Very high94.3Very high8 Ų855.5 Ų55.55%0.04830%0.299CS..Hα-helixtrans-59-43.6179.3171.30000111.6V98 V99 S104 L105 Q135 L136 Y139 L141V98-V102 WeakPolarHBondContact O-CG2 3.47Å; V98-V102 PolarHBondContact O-N 3.07Å; V99-V102 PolarHBondContact O-N 3.17Å; V102-S104 VanDerWaalsContact C-N 3.33Å; V102-S104 PolarHBondContact O-N 2.72Å; V102-L105 PolarHBondContact O-N 2.88Å; V102-Q135 HydrophobicContact CG1-CG 4.42Å; V102-Q135 PolarHBondContact O-NE2 3.18Å; V102-L136 HydrophobicContact CG1-CD2 3.97Å; V102-Y139 HydrophobicContact CG1-CD2 3.67Å; V102-Y139 HydrophobicContact CG1-CE2 4.47Å; V102-Y139 HydrophobicContact CG1-CG 4.17Å; V102-Y139 HydrophobicContact CG2-CD2 4.38Å; V102-Y139 HydrophobicContact CG2-CG 4.12Å; V102-L141 HydrophobicContact CB-CD1 4.4Å; V102-L141 HydrophobicContact CG1-CD1 4.48Å; V102-L141 HydrophobicContact CG2-CD1 4.16Å
103L96.4Very high94.5Very high4 Ų453.5 Ų53.52%0.02129%0.286CS..Hα-helixtrans-66.3-34.5178-65.9173000112.2V99 N100 H101 L105 V109 Q110 T113 A115 I120 V132 Q135 L136V99-L103 HydrophobicContact CG1-CD1 3.68Å; V99-L103 HydrophobicContact CG1-CG 4.26Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 3.36Å; N100-L103 PolarHBondContact O-N 2.83Å; H101-L103 VanDerWaalsContact C-N 3.33Å; H101-L103 PolarHBondContact O-N 3Å; L103-L105 VanDerWaalsContact C-N 3.25Å; L103-L105 PolarHBondContact O-N 3.26Å; L103-V109 HydrophobicContact CB-CG1 4.37Å; L103-V109 HydrophobicContact CD2-CG1 3.72Å; L103-Q110 PolarHBondContact O-N 3.27Å; L103-T113 HydrophobicContact CD2-CG2 4.24Å; L103-A115 HydrophobicContact CD1-CB 3.81Å; L103-I120 HydrophobicContact CD1-CD1 4.43Å; L103-I120 HydrophobicContact CD1-CG2 4.22Å; L103-V132 HydrophobicContact CD2-CG1 3.98Å; L103-Q135 PolarHBondContact O-NE2 3.23Å; L103-L136 HydrophobicContact CD2-CD2 4.04Å; L103-L136 HydrophobicContact CD2-CG 4.33Å
104S96.3Very high94.5Very high40 Ų4051.7 Ų51.728%0.2828%0.275SS..Hα-helixtrans-69.2-15.1179.474.10000115.3N100 H101 V102 T106N100-S104 VanDerWaalsContact O-CB 3.24Å; N100-S104 WeakPolarHBondContact O-CB 3.26Å; N100-S104 PolarHBondContact O-N 3.11Å; N100-S104 PolarHBondContact O-OG 3.49Å; H101-S104 PolarHBondContact O-N 3.21Å; H101-S104 VanDerWaalsContact O-N 3.12Å; H101-S104 PolarHBondContact O-OG 3.03Å; V102-S104 VanDerWaalsContact C-N 3.33Å; V102-S104 PolarHBondContact O-N 2.72Å; S104-T106 PolarHBondContact O-N 3.06Å
105L96.7Very high94.5Very high72 Ų7248.9 Ų48.938%0.37726%0.261SS..THydrogen-bonded Turntrans-67.2-18.2-177.9-63.9177000113.6H101 V102 L103 Y139H101-L105 WeakPolarHBondContact O-CG 3.43Å; H101-L105 PolarHBondContact O-N 3.48Å; V102-L105 PolarHBondContact O-N 2.88Å; L103-L105 VanDerWaalsContact C-N 3.25Å; L103-L105 PolarHBondContact O-N 3.26Å; L105-Y139 HydrophobicContact CD1-CD2 4.28Å; L105-Y139 HydrophobicContact CD1-CE1 3.89Å; L105-Y139 HydrophobicContact CD1-CE2 3.54Å; L105-Y139 WeakPolarHBondContact CD1-OH 3.26Å
106T95.7Very high94.4Very high53 Ų5350.8 Ų50.833%0.32527%0.268SS..SBendtrans-127.4117.7174.6-57.80000108.4S104 D108 V109 Q110 Q135S104-T106 PolarHBondContact O-N 3.06Å; T106-D108 VanDerWaalsContact C-N 3.35Å; T106-D108 PolarHBondContact O-N 3.25Å; T106-V109 HydrophobicContact CG2-CB 4.33Å; T106-V109 HydrophobicContact CG2-CG2 3.93Å; T106-V109 PolarHBondContact O-N 3.49Å; T106-V109 VanDerWaalsContact O-N 3.1Å; T106-Q110 PolarHBondContact O-N 3.44Å; T106-Q135 PolarHBondContact OG1-OE1 3.12Å
107P94.2Very high94.2Very high94 Ų9450.3 Ų50.361%0.6127%0.267SS*.Hα-helixtrans-54.9-43.3-173.7-29.735.9000114.7Q110 K111P107-Q110 WeakPolarHBondContact O-CB 3.41Å; P107-Q110 PolarHBondContact O-N 3.19Å; P107-K111 WeakPolarHBondContact O-CB 3.48Å; P107-K111 PolarHBondContact O-N 2.81Å
108D94Very high94.1Very high103 Ų10348.1 Ų48.155%0.55125%0.252SS*.Hα-helixtrans-67.2-38.4179.6-64.4-27.6000111.8T106 K111 A112T106-D108 VanDerWaalsContact C-N 3.35Å; T106-D108 PolarHBondContact O-N 3.25Å; D108-K111 PolarHBondContact O-N 3.01Å; D108-A112 VanDerWaalsContact O-CB 3.23Å; D108-A112 WeakPolarHBondContact O-CB 3.33Å; D108-A112 PolarHBondContact O-N 3.43Å
109V95.1Very high93.9Very high1 Ų147.3 Ų47.31%0.00625%0.247CC..Hα-helixtrans-63.8-48.6174171.50000109.9L103 T106 K111 A112 T113 V132L103-V109 HydrophobicContact CB-CG1 4.37Å; L103-V109 HydrophobicContact CD2-CG1 3.72Å; T106-V109 HydrophobicContact CG2-CB 4.33Å; T106-V109 HydrophobicContact CG2-CG2 3.93Å; T106-V109 PolarHBondContact O-N 3.49Å; T106-V109 VanDerWaalsContact O-N 3.1Å; V109-K111 VanDerWaalsContact C-N 3.26Å; V109-K111 PolarHBondContact O-N 3.22Å; V109-A112 PolarHBondContact O-N 2.9Å; V109-T113 HydrophobicContact CG1-CG2 4.07Å; V109-T113 VanDerWaalsContact O-CB 3.31Å; V109-T113 WeakPolarHBondContact O-CB 3.42Å; V109-T113 VanDerWaalsContact O-CG2 3.32Å; V109-T113 WeakPolarHBondContact O-CG2 3.21Å; V109-T113 PolarHBondContact O-N 2.92Å; V109-T113 PolarHBondContact O-OG1 3.5Å; V109-V132 HydrophobicContact CG1-CG1 4.33Å; V109-V132 HydrophobicContact CG1-CG2 4.09Å; V109-V132 HydrophobicContact CG2-CG2 4.28Å
110Q95.3Very high93.9Very high115 Ų11547.3 Ų47.354%0.53725%0.246SC..Hα-helixtrans-54-45.5177.6-168-177.715.700111.8L103 T106 P107 T113L103-Q110 PolarHBondContact O-N 3.27Å; T106-Q110 PolarHBondContact O-N 3.44Å; P107-Q110 WeakPolarHBondContact O-CB 3.41Å; P107-Q110 PolarHBondContact O-N 3.19Å; Q110-T113 PolarHBondContact O-N 2.83Å
111K92.6Very high93.8Very high157 Ų15744.3 Ų44.368%0.68323%0.23SC*.Hα-helixtrans-67.2-35.9179-173.9-178.6176.5-172.70112.4P107 D108 V109 V126P107-K111 WeakPolarHBondContact O-CB 3.48Å; P107-K111 PolarHBondContact O-N 2.81Å; D108-K111 PolarHBondContact O-N 3.01Å; V109-K111 VanDerWaalsContact C-N 3.26Å; V109-K111 PolarHBondContact O-N 3.22Å; K111-V126 HydrophobicContact CB-CG1 4.32Å; K111-V126 HydrophobicContact CD-CG1 4.19Å; K111-V126 HydrophobicContact CG-CG1 4.27Å
112A93.5Very high93.8Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-79.9-14.9-178.500000114D108 V109 P114 V122 N123 V126 A127D108-A112 VanDerWaalsContact O-CB 3.23Å; D108-A112 WeakPolarHBondContact O-CB 3.33Å; D108-A112 PolarHBondContact O-N 3.43Å; V109-A112 PolarHBondContact O-N 2.9Å; A112-P114 VanDerWaalsContact O-CD 3.27Å; A112-P114 WeakPolarHBondContact O-CD 3.46Å; A112-V122 WeakPolarHBondContact O-CA 3.44Å; A112-N123 PolarHBondContact O-N 3.43Å; A112-V126 HydrophobicContact CB-CB 3.78Å; A112-V126 HydrophobicContact CB-CG1 3.84Å; A112-A127 HydrophobicContact CB-CB 3.67Å
113T94Very high93.6Very high6 Ų639.3 Ų39.34%0.03721%0.207CC..  trans-123.772.4-162.557.90000115.4L103 V109 Q110 A115 I120 F121 V122 V132L103-T113 HydrophobicContact CD2-CG2 4.24Å; V109-T113 HydrophobicContact CG1-CG2 4.07Å; V109-T113 VanDerWaalsContact O-CB 3.31Å; V109-T113 WeakPolarHBondContact O-CB 3.42Å; V109-T113 VanDerWaalsContact O-CG2 3.32Å; V109-T113 WeakPolarHBondContact O-CG2 3.21Å; V109-T113 PolarHBondContact O-N 2.92Å; V109-T113 PolarHBondContact O-OG1 3.5Å; Q110-T113 PolarHBondContact O-N 2.83Å; T113-A115 PolarHBondContact O-N 3.36Å; T113-I120 HydrophobicContact CG2-CG2 4.12Å; T113-F121 VanDerWaalsContact CA-O 3.27Å; T113-F121 WeakPolarHBondContact CA-O 3.27Å; T113-V122 HydrophobicContact CG2-CG2 4.24Å; T113-V132 HydrophobicContact CG2-CB 4.33Å; T113-V132 HydrophobicContact CG2-CG1 3.69Å; T113-V132 HydrophobicContact CG2-CG2 3.65Å
114P91.7Very high93.5Very high11 Ų1141.3 Ų41.37%0.07122%0.217CC..  trans-68101.4171.329-32000109.6E40 W41 Q44 A112 F121E40-P114 HydrophobicContact CG-CB 4.3Å; E40-P114 VanDerWaalsContact OE1-CB 3.22Å; E40-P114 WeakPolarHBondContact OE1-CB 3.41Å; W41-P114 PolarHBondContact NE1-O 3.22Å; Q44-P114 HydrophobicContact CG-CG 4.11Å; A112-P114 VanDerWaalsContact O-CD 3.27Å; A112-P114 WeakPolarHBondContact O-CD 3.46Å; P114-F121 HydrophobicContact CG-CB 3.9Å; P114-F121 PolarHBondContact O-N 2.93Å
115A92.3Very high93.3Very high4 Ų445.1 Ų45.13%0.03323%0.234CC..EExtended strand (participates in β ladder)trans-88.4156.2-178.700000113.1K37 V99 L103 T113 I120K37-A115 WeakPolarHBondContact CE-O 3.49Å; K37-A115 PolarHBondContact NZ-O 3.17Å; V99-A115 HydrophobicContact CG1-CB 3.97Å; L103-A115 HydrophobicContact CD1-CB 3.81Å; T113-A115 PolarHBondContact O-N 3.36Å; A115-I120 HydrophobicContact CB-CG1 4.07Å
116Y91Very high93.2Very high40 Ų4044.2 Ų44.216%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-140.999.9169.5-175.1-95.3000109.5D32 K37 D118 D119 L156D32-Y116 HydrophobicContact CB-CD2 3.62Å; D32-Y116 HydrophobicContact CB-CE2 3.5Å; D32-Y116 VanDerWaalsContact CB-CE2 3.5Å; K37-Y116 HydrophobicContact CB-CD2 3.91Å; K37-Y116 HydrophobicContact CB-CE2 4.45Å; K37-Y116 HydrophobicContact CD-CD2 4.44Å; K37-Y116 HydrophobicContact CG-CD2 3.74Å; K37-Y116 HydrophobicContact CG-CG 4.04Å; Y116-D118 PolarHBondContact O-N 2.9Å; Y116-D119 PolarHBondContact N-O 2.8Å; Y116-D119 PolarHBondContact O-N 2.94Å; Y116-L156 HydrophobicContact CD1-CD1 4.37Å; Y116-L156 HydrophobicContact CD1-CD2 3.39Å; Y116-L156 HydrophobicContact CE1-CD2 3.57Å; Y116-L156 HydrophobicContact CG-CD1 4.47Å; Y116-L156 HydrophobicContact CG-CD2 4.21Å
117I88.5Confident93.1Very high30 Ų3042.2 Ų42.215%0.15422%0.22CC..THydrogen-bonded Turntrans54.8-100.8-177.2-50.4173000110.7Y57 P92 M95Y57-I117 HydrophobicContact CE1-CG2 4.33Å; Y57-I117 WeakPolarHBondContact OH-CG2 3.41Å; P92-I117 HydrophobicContact CB-CD1 4.11Å; P92-I117 HydrophobicContact CB-CG1 4.5Å; M95-I117 HydrophobicContact CB-CG2 4.16Å; M95-I117 HydrophobicContact CG-CG2 3.79Å
118D89.4Confident93.1Very high47 Ų4740.6 Ų40.625%0.25121%0.211SC..THydrogen-bonded Turntrans-101.9-13.3-179.355.5-41.4000114.6L53 A56 Y116L53-D118 HydrophobicContact CB-CB 4.07Å; L53-D118 PolarHBondContact N-O 2.76Å; A56-D118 HydrophobicContact CB-CB 3.49Å; A56-D118 VanDerWaalsContact CB-CB 3.49Å; Y116-D118 PolarHBondContact O-N 2.9Å
119D92Very high93.2Very high30 Ų3035.8 Ų35.816%0.1619%0.186CC..EExtended strand (participates in β ladder)trans-92.6125.1177.4-67.9-33.1000110W41 Y116W41-D119 HydrophobicContact CH2-CB 3.71Å; Y116-D119 PolarHBondContact N-O 2.8Å; Y116-D119 PolarHBondContact O-N 2.94Å
120I94.6Very high93.2Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-125.5112.8-176.8-54169.6000108.2I50 L51 L53 V99 L103 T113 A115 V122 L136I50-I120 WeakPolarHBondContact CA-O 3.47Å; L51-I120 HydrophobicContact CB-CB 4.21Å; L51-I120 PolarHBondContact N-O 3.38Å; L51-I120 PolarHBondContact O-N 2.83Å; L53-I120 HydrophobicContact CD2-CD1 4.38Å; L53-I120 HydrophobicContact CG-CD1 4.29Å; V99-I120 HydrophobicContact CG1-CD1 3.93Å; V99-I120 HydrophobicContact CG1-CG1 4.29Å; L103-I120 HydrophobicContact CD1-CD1 4.43Å; L103-I120 HydrophobicContact CD1-CG2 4.22Å; T113-I120 HydrophobicContact CG2-CG2 4.12Å; A115-I120 HydrophobicContact CB-CG1 4.07Å; I120-V122 HydrophobicContact CG2-CG2 4.46Å; I120-L136 HydrophobicContact CD1-CD1 3.68Å; I120-L136 HydrophobicContact CD1-CD2 4.23Å
121F93.6Very high93.2Very high0 Ų038.3 Ų38.30%021%0.207CC..EExtended strand (participates in β ladder)trans-72.7140.4166.7-92.4-131.6000108.7W41 V48 I50 T113 P114 L149 V155 W252W41-F121 HydrophobicContact CB-CD1 3.82Å; W41-F121 HydrophobicContact CB-CE1 3.7Å; W41-F121 HydrophobicContact CB-CG 4.41Å; W41-F121 HydrophobicContact CB-CZ 4.11Å; W41-F121 AromaticContact CD1-CG 3.92Å; W41-F121 HydrophobicContact CD2-CD1 4.02Å; W41-F121 AromaticContact CD2-CD2 3.38Å; W41-F121 HydrophobicContact CD2-CD2 3.38Å; W41-F121 HydrophobicContact CD2-CE1 4.15Å; W41-F121 AromaticContact CD2-CE2 3.47Å; W41-F121 HydrophobicContact CD2-CE2 3.47Å; W41-F121 VanDerWaalsContact CD2-CE2 3.47Å; W41-F121 AromaticContact CD2-CG 3.71Å; W41-F121 HydrophobicContact CD2-CG 3.71Å; W41-F121 AromaticContact CD2-CZ 3.9Å; W41-F121 HydrophobicContact CD2-CZ 3.9Å; W41-F121 AromaticContact CE2-CD2 3.46Å; W41-F121 VanDerWaalsContact CE2-CD2 3.46Å; W41-F121 AromaticContact CE2-CG 3.78Å; W41-F121 AromaticContact CE3-CD2 3.48Å; W41-F121 HydrophobicContact CE3-CD2 3.48Å; W41-F121 VanDerWaalsContact CE3-CD2 3.48Å; W41-F121 HydrophobicContact CE3-CE1 4.26Å; W41-F121 AromaticContact CE3-CE2 3.08Å; W41-F121 HydrophobicContact CE3-CE2 3.08Å; W41-F121 HydrophobicContact CE3-CG 4.22Å; W41-F121 AromaticContact CE3-CZ 3.57Å; W41-F121 HydrophobicContact CE3-CZ 3.57Å; W41-F121 AromaticContact CG-CD1 3.72Å; W41-F121 HydrophobicContact CG-CD1 3.72Å; W41-F121 AromaticContact CG-CD2 3.99Å; W41-F121 HydrophobicContact CG-CD2 3.99Å; W41-F121 AromaticContact CG-CE1 3.96Å; W41-F121 HydrophobicContact CG-CE1 3.96Å; W41-F121 HydrophobicContact CG-CE2 4.16Å; W41-F121 AromaticContact CG-CG 3.81Å; W41-F121 HydrophobicContact CG-CG 3.81Å; W41-F121 HydrophobicContact CG-CZ 4.18Å; W41-F121 AromaticContact CH2-CD2 3.75Å; W41-F121 HydrophobicContact CH2-CD2 3.75Å; W41-F121 AromaticContact CH2-CE2 3.89Å; W41-F121 HydrophobicContact CH2-CE2 3.89Å; W41-F121 AromaticContact CZ2-CD2 3.67Å; W41-F121 HydrophobicContact CZ2-CD2 3.67Å; W41-F121 HydrophobicContact CZ2-CE2 4.22Å; W41-F121 HydrophobicContact CZ2-CG 4.35Å; W41-F121 AromaticContact CZ3-CD2 3.63Å; W41-F121 HydrophobicContact CZ3-CD2 3.63Å; W41-F121 AromaticContact CZ3-CE2 3.29Å; W41-F121 HydrophobicContact CZ3-CE2 3.29Å; W41-F121 HydrophobicContact CZ3-CZ 4.18Å; W41-F121 AromaticContact NE1-CG 3.86Å; V48-F121 HydrophobicContact CB-CD1 4.39Å; V48-F121 HydrophobicContact CG1-CB 3.99Å; V48-F121 HydrophobicContact CG1-CD1 3.31Å; V48-F121 HydrophobicContact CG1-CE1 3.99Å; V48-F121 HydrophobicContact CG1-CG 3.96Å; I50-F121 HydrophobicContact CD1-CD2 4.06Å; I50-F121 HydrophobicContact CD1-CE2 3.22Å; I50-F121 HydrophobicContact CD1-CZ 3.61Å; I50-F121 HydrophobicContact CG1-CD2 3.72Å; I50-F121 HydrophobicContact CG1-CE2 3.38Å; I50-F121 HydrophobicContact CG1-CG 4.48Å; I50-F121 HydrophobicContact CG1-CZ 3.87Å; T113-F121 VanDerWaalsContact CA-O 3.27Å; T113-F121 WeakPolarHBondContact CA-O 3.27Å; P114-F121 HydrophobicContact CG-CB 3.9Å; P114-F121 PolarHBondContact O-N 2.93Å; F121-L149 HydrophobicContact CE1-CD1 4.28Å; F121-L149 HydrophobicContact CZ-CD2 4.19Å; F121-V155 HydrophobicContact CE2-CG1 3.69Å; F121-V155 HydrophobicContact CZ-CG1 3.69Å; F121-V155 HydrophobicContact CZ-CG2 4.33Å; F121-W252 AromaticContact CE1-CZ2 3.81Å; F121-W252 HydrophobicContact CE1-CZ2 3.81Å; F121-W252 HydrophobicContact CZ-CH2 4.41Å; F121-W252 AromaticContact CZ-CZ2 3.71Å; F121-W252 HydrophobicContact CZ-CZ2 3.71Å
122V95Very high93.4Very high0 Ų030.8 Ų30.80%017%0.174CC..  trans-123.2113.9174.1-175.80000108.6V48 P49 L51 A112 T113 I120 E124 A127 A129 V132V48-V122 VanDerWaalsContact CA-O 3.31Å; V48-V122 WeakPolarHBondContact CA-O 3.2Å; V48-V122 WeakPolarHBondContact CG1-O 3.34Å; P49-V122 WeakPolarHBondContact CD-O 3.42Å; P49-V122 HydrophobicContact CG-CB 4.32Å; P49-V122 PolarHBondContact O-N 2.87Å; L51-V122 HydrophobicContact CD1-CG2 3.67Å; L51-V122 HydrophobicContact CG-CG2 4.04Å; A112-V122 WeakPolarHBondContact O-CA 3.44Å; T113-V122 HydrophobicContact CG2-CG2 4.24Å; I120-V122 HydrophobicContact CG2-CG2 4.46Å; V122-E124 HydrophobicContact CG1-CG 4.39Å; V122-E124 PolarHBondContact O-N 2.85Å; V122-A127 WeakPolarHBondContact CG1-O 3.42Å; V122-A129 HydrophobicContact CG1-CB 4.42Å; V122-V132 HydrophobicContact CG1-CG2 3.8Å; V122-V132 HydrophobicContact CG2-CB 4.35Å; V122-V132 HydrophobicContact CG2-CG1 4.2Å; V122-V132 HydrophobicContact CG2-CG2 4.31Å
123N93.2Very high93.5Very high19 Ų1934.5 Ų34.510%0.10219%0.19CC..  trans-76.5101.1170.1-172.7-26.4000109.4A112 D125 V126 A127A112-N123 PolarHBondContact O-N 3.43Å; N123-D125 PolarHBondContact O-N 3.13Å; N123-D125 VanDerWaalsContact OD1-CB 3.29Å; N123-D125 WeakPolarHBondContact OD1-CB 3.25Å; N123-D125 PolarHBondContact OD1-N 3.34Å; N123-V126 HydrophobicContact CB-CG2 4.36Å; N123-V126 PolarHBondContact O-N 2.99Å; N123-A127 PolarHBondContact O-N 3.17Å; N123-A127 VanDerWaalsContact O-N 3.08Å
124E94.6Very high93.6Very high46 Ų4638.1 Ų38.122%0.21522%0.216CC..THydrogen-bonded Turntrans-70.1-10-177.2-74.1-163121.900113.4N47 P49 V122 A127 A129 R148N47-E124 WeakPolarHBondContact ND2-CB 3.25Å; N47-E124 PolarHBondContact O-N 3.41Å; P49-E124 HydrophobicContact CG-CG 3.74Å; V122-E124 HydrophobicContact CG1-CG 4.39Å; V122-E124 PolarHBondContact O-N 2.85Å; E124-A127 WeakPolarHBondContact CA-O 3.49Å; E124-A129 HydrophobicContact CG-CB 4.41Å; E124-A129 WeakPolarHBondContact OE1-CB 3.44Å; E124-A129 PolarHBondContact OE1-N 3.13Å; E124-R148 IonicContact OE2-NH2 2.68Å
125D92.9Very high93.9Very high119 Ų11938.6 Ų38.664%0.63622%0.217SC*.THydrogen-bonded Turntrans-76.2-15.3170.1-55.5-33000112.2N47 N123N47-D125 PolarHBondContact ND2-OD1 3.28Å; N123-D125 PolarHBondContact O-N 3.13Å; N123-D125 VanDerWaalsContact OD1-CB 3.29Å; N123-D125 WeakPolarHBondContact OD1-CB 3.25Å; N123-D125 PolarHBondContact OD1-N 3.34Å
126V92.8Very high94.1Very high53 Ų5338.4 Ų38.432%0.32122%0.215SC..THydrogen-bonded Turntrans-108.3-46.6179.2-177.60000111.4K111 A112 N123K111-V126 HydrophobicContact CB-CG1 4.32Å; K111-V126 HydrophobicContact CD-CG1 4.19Å; K111-V126 HydrophobicContact CG-CG1 4.27Å; A112-V126 HydrophobicContact CB-CB 3.78Å; A112-V126 HydrophobicContact CB-CG1 3.84Å; N123-V126 HydrophobicContact CB-CG2 4.36Å; N123-V126 PolarHBondContact O-N 2.99Å
127A94Very high94.4Very high12 Ų1239.3 Ų39.310%0.09923%0.231CC..SBendtrans-148.5140.5177.500000111.2A112 V122 N123 E124A112-A127 HydrophobicContact CB-CB 3.67Å; V122-A127 WeakPolarHBondContact CG1-O 3.42Å; N123-A127 PolarHBondContact O-N 3.17Å; N123-A127 VanDerWaalsContact O-N 3.08Å; E124-A127 WeakPolarHBondContact CA-O 3.49Å
128S95.6Very high94.8Very high60 Ų6045.6 Ų45.642%0.4226%0.257SS..  trans-66.7145.9179.568.40000112.5D130 S131 V132S128-D130 PolarHBondContact O-N 3.14Å; S128-S131 WeakPolarHBondContact O-CB 3.23Å; S128-S131 PolarHBondContact O-N 3.07Å; S128-S131 VanDerWaalsContact O-N 3.12Å; S128-S131 WeakPolarHBondContact OG-CB 3.44Å; S128-S131 PolarHBondContact OG-N 3.47Å; S128-V132 PolarHBondContact O-N 3.44Å
129A95Very high95.1Very high2 Ų248.7 Ų48.72%0.01727%0.266CS..Hα-helixtrans-59.8-32.4177.100000113.1P49 V122 E124 V132 K133 L146P49-A129 HydrophobicContact CG-CB 4.18Å; V122-A129 HydrophobicContact CG1-CB 4.42Å; E124-A129 HydrophobicContact CG-CB 4.41Å; E124-A129 WeakPolarHBondContact OE1-CB 3.44Å; E124-A129 PolarHBondContact OE1-N 3.13Å; A129-V132 PolarHBondContact O-N 3.36Å; A129-K133 VanDerWaalsContact O-CB 3.24Å; A129-K133 WeakPolarHBondContact O-CB 3.45Å; A129-K133 PolarHBondContact O-N 2.87Å; A129-L146 HydrophobicContact CB-CD1 3.68Å; A129-L146 HydrophobicContact CB-CD2 3.64Å; A129-L146 HydrophobicContact CB-CG 4.33Å
130D95.3Very high95.3Very high115 Ų11549.7 Ų49.762%0.61528%0.284SS*.Hα-helixtrans-67.7-36.7176.8-74.6-32.2000112.8S128 S134S128-D130 PolarHBondContact O-N 3.14Å; D130-S134 VanDerWaalsContact O-CB 3.27Å; D130-S134 WeakPolarHBondContact O-CB 3.48Å; D130-S134 PolarHBondContact O-N 3.25Å; D130-S134 PolarHBondContact O-OG 3.18Å
131S94.9Very high95.4Very high53 Ų5350 Ų5037%0.37129%0.286SS..Hα-helixtrans-61.6-50.8173.3166.30000110.7S128 K133 S134 Q135S128-S131 WeakPolarHBondContact O-CB 3.23Å; S128-S131 PolarHBondContact O-N 3.07Å; S128-S131 VanDerWaalsContact O-N 3.12Å; S128-S131 WeakPolarHBondContact OG-CB 3.44Å; S128-S131 PolarHBondContact OG-N 3.47Å; S131-K133 PolarHBondContact O-N 3.31Å; S131-S134 PolarHBondContact O-N 3.15Å; S131-Q135 PolarHBondContact O-N 2.86Å
132V96.6Very high95.6Very high0 Ų052.5 Ų52.50%030%0.303CS..Hα-helixtrans-59.2-47.5178.4178.60000110.9L51 L103 V109 T113 V122 S128 A129 S134 Q135 L136L51-V132 HydrophobicContact CD1-CB 4.14Å; L51-V132 HydrophobicContact CD1-CG1 3.79Å; L103-V132 HydrophobicContact CD2-CG1 3.98Å; V109-V132 HydrophobicContact CG1-CG1 4.33Å; V109-V132 HydrophobicContact CG1-CG2 4.09Å; V109-V132 HydrophobicContact CG2-CG2 4.28Å; T113-V132 HydrophobicContact CG2-CB 4.33Å; T113-V132 HydrophobicContact CG2-CG1 3.69Å; T113-V132 HydrophobicContact CG2-CG2 3.65Å; V122-V132 HydrophobicContact CG1-CG2 3.8Å; V122-V132 HydrophobicContact CG2-CB 4.35Å; V122-V132 HydrophobicContact CG2-CG1 4.2Å; V122-V132 HydrophobicContact CG2-CG2 4.31Å; S128-V132 PolarHBondContact O-N 3.44Å; A129-V132 PolarHBondContact O-N 3.36Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.48Å; V132-Q135 PolarHBondContact O-N 3.09Å; V132-L136 HydrophobicContact CG1-CD1 4.06Å; V132-L136 WeakPolarHBondContact O-CG 3.34Å; V132-L136 PolarHBondContact O-N 3.44Å
133K96.6Very high95.6Very high78 Ų7853.2 Ų53.234%0.33931%0.308SS..Hα-helixtrans-62.2-40.3178.7-175.7178.8176.9-175.70112.2L51 A129 S131 L136 A137 C143L51-K133 HydrophobicContact CD1-CB 4.38Å; A129-K133 VanDerWaalsContact O-CB 3.24Å; A129-K133 WeakPolarHBondContact O-CB 3.45Å; A129-K133 PolarHBondContact O-N 2.87Å; S131-K133 PolarHBondContact O-N 3.31Å; K133-L136 PolarHBondContact O-N 3.13Å; K133-A137 VanDerWaalsContact O-CB 3.3Å; K133-A137 WeakPolarHBondContact O-CB 3.39Å; K133-A137 PolarHBondContact O-N 2.94Å; K133-C143 HydrophobicContact CG-CB 4.43Å
134S96.1Very high95.7Very high81 Ų8155.9 Ų55.957%0.56632%0.318SS*.Hα-helixtrans-65.7-40.3177.4-61.60000111.5D130 S131 V132 A137 K138D130-S134 VanDerWaalsContact O-CB 3.27Å; D130-S134 WeakPolarHBondContact O-CB 3.48Å; D130-S134 PolarHBondContact O-N 3.25Å; D130-S134 PolarHBondContact O-OG 3.18Å; S131-S134 PolarHBondContact O-N 3.15Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.48Å; S134-A137 PolarHBondContact O-N 3.17Å; S134-K138 PolarHBondContact O-N 3.25Å
135Q96.8Very high95.6Very high21 Ų2158.2 Ų58.210%0.09834%0.338CS..Hα-helixtrans-62.5-49.5173.8-179.5167.8-49.200111.5V102 L103 T106 S131 V132 A137 K138 Y139V102-Q135 HydrophobicContact CG1-CG 4.42Å; V102-Q135 PolarHBondContact O-NE2 3.18Å; L103-Q135 PolarHBondContact O-NE2 3.23Å; T106-Q135 PolarHBondContact OG1-OE1 3.12Å; S131-Q135 PolarHBondContact O-N 2.86Å; V132-Q135 PolarHBondContact O-N 3.09Å; Q135-A137 VanDerWaalsContact C-N 3.31Å; Q135-A137 PolarHBondContact O-N 2.91Å; Q135-K138 WeakPolarHBondContact O-CB 2.95Å; Q135-K138 PolarHBondContact O-N 2.88Å; Q135-Y139 HydrophobicContact CG-CE2 4.43Å; Q135-Y139 VanDerWaalsContact O-CD2 3.24Å; Q135-Y139 WeakPolarHBondContact O-CD2 3.45Å
136L97.6Very high95.6Very high0 Ų055.5 Ų55.50%032%0.323CS..Hα-helixtrans-56.6-46.2175.9-71.2167.7000111.3L51 L53 V102 L103 I120 V132 K133 K138 Y139 G140 L141L51-L136 HydrophobicContact CD1-CD1 4.4Å; L53-L136 HydrophobicContact CD2-CD1 4.35Å; V102-L136 HydrophobicContact CG1-CD2 3.97Å; L103-L136 HydrophobicContact CD2-CD2 4.04Å; L103-L136 HydrophobicContact CD2-CG 4.33Å; I120-L136 HydrophobicContact CD1-CD1 3.68Å; I120-L136 HydrophobicContact CD1-CD2 4.23Å; V132-L136 HydrophobicContact CG1-CD1 4.06Å; V132-L136 WeakPolarHBondContact O-CG 3.34Å; V132-L136 PolarHBondContact O-N 3.44Å; K133-L136 PolarHBondContact O-N 3.13Å; L136-K138 VanDerWaalsContact C-N 3.33Å; L136-K138 PolarHBondContact O-N 3.45Å; L136-Y139 CarbonylContact O-C 3.5Å; L136-Y139 PolarHBondContact O-N 2.79Å; L136-Y139 VanDerWaalsContact O-N 3.09Å; L136-G140 PolarHBondContact O-N 3.45Å; L136-L141 CarbonylContact C-O 3.56Å; L136-L141 HydrophobicContact CB-CB 4.01Å; L136-L141 WeakPolarHBondContact CB-O 3.2Å; L136-L141 HydrophobicContact CD2-CB 4.2Å; L136-L141 HydrophobicContact CD2-CD1 3.78Å; L136-L141 WeakPolarHBondContact O-CB 3.47Å; L136-L141 PolarHBondContact O-N 2.89Å
137A97Very high95.7Very high59 Ų5957.5 Ų57.549%0.48833%0.329SS..Hα-helixtrans-62.9-37.3179.800000112.8K133 S134 Q135 Y139 G140 L141K133-A137 VanDerWaalsContact O-CB 3.3Å; K133-A137 WeakPolarHBondContact O-CB 3.39Å; K133-A137 PolarHBondContact O-N 2.94Å; S134-A137 PolarHBondContact O-N 3.17Å; Q135-A137 VanDerWaalsContact C-N 3.31Å; Q135-A137 PolarHBondContact O-N 2.91Å; A137-Y139 PolarHBondContact O-N 2.68Å; A137-G140 PolarHBondContact O-N 3Å; A137-L141 PolarHBondContact N-O 2.95Å
138K97Very high95.5Very high162 Ų16263.4 Ų63.470%0.70435%0.348SS*.Hα-helixtrans-56.1-31175-176.8-178.7176.1-1770112.4S134 Q135 L136S134-K138 PolarHBondContact O-N 3.25Å; Q135-K138 WeakPolarHBondContact O-CB 2.95Å; Q135-K138 PolarHBondContact O-N 2.88Å; L136-K138 VanDerWaalsContact C-N 3.33Å; L136-K138 PolarHBondContact O-N 3.45Å
139Y96.3Very high95.1Very high112 Ų11260.8 Ų60.844%0.43933%0.33SS..THydrogen-bonded Turntrans-102.418.1177.9-62.3-79.3000113.1V102 L105 Q135 L136 A137 L141V102-Y139 HydrophobicContact CG1-CD2 3.67Å; V102-Y139 HydrophobicContact CG1-CE2 4.47Å; V102-Y139 HydrophobicContact CG1-CG 4.17Å; V102-Y139 HydrophobicContact CG2-CD2 4.38Å; V102-Y139 HydrophobicContact CG2-CG 4.12Å; L105-Y139 HydrophobicContact CD1-CD2 4.28Å; L105-Y139 HydrophobicContact CD1-CE1 3.89Å; L105-Y139 HydrophobicContact CD1-CE2 3.54Å; L105-Y139 WeakPolarHBondContact CD1-OH 3.26Å; Q135-Y139 HydrophobicContact CG-CE2 4.43Å; Q135-Y139 VanDerWaalsContact O-CD2 3.24Å; Q135-Y139 WeakPolarHBondContact O-CD2 3.45Å; L136-Y139 CarbonylContact O-C 3.5Å; L136-Y139 PolarHBondContact O-N 2.79Å; L136-Y139 VanDerWaalsContact O-N 3.09Å; A137-Y139 PolarHBondContact O-N 2.68Å; Y139-L141 PolarHBondContact O-N 3.13Å
140G95.8Very high94.5Very high52 Ų5262.5 Ų62.554%0.53634%0.344SS..THydrogen-bonded Turntrans79.811.4174.400000115.2Q59 L136 A137Q59-G140 PolarHBondContact OE1-O 3.2Å; L136-G140 PolarHBondContact O-N 3.45Å; A137-G140 PolarHBondContact O-N 3Å
141L97.1Very high94.1Very high7 Ų763.4 Ų63.44%0.03735%0.349CS..  trans-96.3102.3176.1-60.9177.6000110.2L53 Q59 V98 V99 V102 L136 A137 Y139L53-L141 HydrophobicContact CD2-CB 4.12Å; Q59-L141 HydrophobicContact CB-CD2 4.09Å; V98-L141 HydrophobicContact CG1-CD1 4.48Å; V99-L141 HydrophobicContact CG2-CD1 4.31Å; V102-L141 HydrophobicContact CB-CD1 4.4Å; V102-L141 HydrophobicContact CG1-CD1 4.48Å; V102-L141 HydrophobicContact CG2-CD1 4.16Å; L136-L141 CarbonylContact C-O 3.56Å; L136-L141 HydrophobicContact CB-CB 4.01Å; L136-L141 WeakPolarHBondContact CB-O 3.2Å; L136-L141 HydrophobicContact CD2-CB 4.2Å; L136-L141 HydrophobicContact CD2-CD1 3.78Å; L136-L141 WeakPolarHBondContact O-CB 3.47Å; L136-L141 PolarHBondContact O-N 2.89Å; A137-L141 PolarHBondContact N-O 2.95Å; Y139-L141 PolarHBondContact O-N 3.13Å
142S96.8Very high93.7Very high52 Ų5262.2 Ų62.236%0.36435%0.345SS..PPolyproline II helixtrans-86.7137.4175.869.40000112R54 Q59R54-S142 PolarHBondContact N-O 3.06Å; Q59-S142 PolarHBondContact NE2-O 2.63Å; Q59-S142 PolarHBondContact OE1-OG 3.22Å
143C96.3Very high93.3Very high14 Ų1462.7 Ų62.710%0.09535%0.348CS..BIsolated β-bridgetrans-100.1157.6176.7-570000111.4L51 D52 K133L51-C143 HydrophobicContact CD2-CB 4.09Å; D52-C143 CarbonylContact O-C 3.53Å; D52-C143 WeakPolarHBondContact O-CA 3.4Å; K133-C143 HydrophobicContact CG-CB 4.43Å
144K94.8Very high93Very high75 Ų7565 Ų6533%0.32635%0.354SS..PPolyproline II helixtrans-66.5172.3159.2-69.6-176.7-167.5147.70110.5D52 R54D52-K144 HydrophobicContact CB-CD 4.19Å; D52-K144 PolarHBondContact O-N 2.68Å; D52-K144 IonicContact OD1-NZ 2.86Å; D52-K144 PolarHBondContact OD1-NZ 2.95Å; D52-K144 WeakPolarHBondContact OD2-CD 3.22Å; D52-K144 WeakPolarHBondContact OD2-CE 3.27Å; D52-K144 IonicContact OD2-NZ 3.77Å; D52-K144 PolarHBondContact OD2-NZ 3.44Å; R54-K144 HydrophobicContact CB-CG 4.29Å
145P93.2Very high92.6Very high96 Ų9661.1 Ų61.162%0.62333%0.327SS*.SBendtrans-52.1145167-25.936.5000111.1
146L92.7Very high92.1Very high61 Ų6161.2 Ų61.232%0.31933%0.328SS..PPolyproline II helixtrans-64.6134.6178.6-17371.5000109.8P49 L51 A129P49-L146 HydrophobicContact CB-CD1 3.64Å; P49-L146 HydrophobicContact CB-CD2 3.97Å; P49-L146 HydrophobicContact CB-CG 3.76Å; P49-L146 HydrophobicContact CG-CD1 4.02Å; P49-L146 HydrophobicContact CG-CD2 4.18Å; P49-L146 HydrophobicContact CG-CG 4.38Å; L51-L146 HydrophobicContact CD2-CD1 3.42Å; L51-L146 VanDerWaalsContact CD2-CD1 3.42Å; L51-L146 HydrophobicContact CG-CD1 3.73Å; A129-L146 HydrophobicContact CB-CD1 3.68Å; A129-L146 HydrophobicContact CB-CD2 3.64Å; A129-L146 HydrophobicContact CB-CG 4.33Å
147E93.2Very high91.4Very high96 Ų9662.4 Ų62.445%0.44934%0.341SS..BIsolated β-bridgetrans-113.9129.9176.8-64.9-171155.100109.9P49 I50 V153P49-E147 CarbonylContact C-O 3.2Å; P49-E147 VanDerWaalsContact CA-O 3.3Å; P49-E147 WeakPolarHBondContact CA-O 3.39Å; P49-E147 WeakPolarHBondContact CB-O 3.24Å; I50-E147 PolarHBondContact N-O 3.39Å; I50-E147 PolarHBondContact O-N 3.06Å; I50-E147 VanDerWaalsContact O-N 3.13Å; E147-V153 HydrophobicContact CB-CG1 4.07Å; E147-V153 HydrophobicContact CB-CG2 3.73Å; E147-V153 WeakPolarHBondContact OE2-CG1 3.36Å
148R91Very high91.1Very high136 Ų13659.6 Ų59.651%0.51332%0.317SS..  trans-97.6133.9176.4-74-168.3166.6129.32.2110.2P49 E124 A150 N151 V153P49-R148 HydrophobicContact CB-CG 4.2Å; E124-R148 IonicContact OE2-NH2 2.68Å; R148-A150 PolarHBondContact O-N 3.39Å; R148-A150 VanDerWaalsContact O-N 3.11Å; R148-N151 WeakPolarHBondContact O-CB 3.49Å; R148-N151 PolarHBondContact O-N 3.32Å; R148-V153 WeakPolarHBondContact O-CG2 3.46Å
149L87.3Confident90.8Very high4 Ų456 Ų562%0.02130%0.302CS..G310 helixtrans-50.8-39.3-179.6-66.6177000112.8V48 I50 F121 N151 G152 V155 V160 W161 T167V48-L149 HydrophobicContact CB-CD1 4.33Å; V48-L149 WeakPolarHBondContact O-CD1 3.3Å; V48-L149 VanDerWaalsContact O-CG 3.28Å; V48-L149 WeakPolarHBondContact O-CG 3.42Å; I50-L149 HydrophobicContact CD1-CD2 3.67Å; I50-L149 HydrophobicContact CG1-CD2 4.16Å; F121-L149 HydrophobicContact CE1-CD1 4.28Å; F121-L149 HydrophobicContact CZ-CD2 4.19Å; L149-N151 PolarHBondContact O-N 2.87Å; L149-G152 PolarHBondContact O-N 3.35Å; L149-V155 HydrophobicContact CD2-CG2 3.76Å; L149-V160 HydrophobicContact CB-CG1 4.11Å; L149-V160 HydrophobicContact CD2-CB 4.11Å; L149-V160 HydrophobicContact CD2-CG1 4Å; L149-V160 HydrophobicContact CG-CG1 4.44Å; L149-V160 CarbonylContact O-C 3.55Å; L149-W161 VanDerWaalsContact O-CA 3.31Å; L149-W161 WeakPolarHBondContact O-CA 3.25Å; L149-T167 HydrophobicContact CB-CG2 4.42Å
150A81.9Confident90.6Very high39 Ų3950.7 Ų50.732%0.32228%0.281SS..G310 helixtrans-52.4-28.5178.500000113.9R148 G152 E162R148-A150 PolarHBondContact O-N 3.39Å; R148-A150 VanDerWaalsContact O-N 3.11Å; A150-G152 PolarHBondContact O-N 2.94Å; A150-E162 HydrophobicContact CB-CB 3.84Å; A150-E162 PolarHBondContact O-N 2.93Å
151N86.4Confident90.5Very high134 Ų13450.6 Ų50.672%0.71726%0.264SS*.G310 helixtrans-87.38.2-172.4-63.2-17.6000114.8R148 L149R148-N151 WeakPolarHBondContact O-CB 3.49Å; R148-N151 PolarHBondContact O-N 3.32Å; L149-N151 PolarHBondContact O-N 2.87Å
152G87.3Confident90.3Very high27 Ų2754.9 Ų54.928%0.27828%0.284SS..THydrogen-bonded Turntrans87.245.3178.600000114.1L149 A150 V160L149-G152 PolarHBondContact O-N 3.35Å; A150-G152 PolarHBondContact O-N 2.94Å; G152-V160 CarbonylContact C-O 3.58Å; G152-V160 WeakPolarHBondContact CA-O 3.36Å; G152-V160 PolarHBondContact N-O 3.47Å
153V88.7Confident90.1Very high11 Ų1155.8 Ų55.87%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-81.5152.4-173.6179.90000111.8I50 E147 R148 V155 K159 V160I50-V153 HydrophobicContact CD1-CG1 3.94Å; E147-V153 HydrophobicContact CB-CG1 4.07Å; E147-V153 HydrophobicContact CB-CG2 3.73Å; E147-V153 WeakPolarHBondContact OE2-CG1 3.36Å; R148-V153 WeakPolarHBondContact O-CG2 3.46Å; V153-V155 HydrophobicContact CG1-CG2 4.44Å; V153-K159 CarbonylContact O-C 3.51Å; V153-V160 PolarHBondContact N-O 3.38Å; V153-V160 PolarHBondContact O-N 2.81Å
154R88.8Confident89.7Confident125 Ų12563.4 Ų63.447%0.47232%0.317SS..EExtended strand (participates in β ladder)trans-89.6124.1171.7-71.1-71.2-172.8-137.1-1.5110.2L158 G172R154-L158 CarbonylContact C-O 3.59Å; R154-L158 WeakPolarHBondContact CA-O 3.5Å; R154-L158 WeakPolarHBondContact CD-O 3.48Å; R154-G172 PolarHBondContact NE-O 3.34Å; R154-G172 VanDerWaalsContact NH1-CA 3.27Å; R154-G172 PolarHBondContact NH1-O 2.91Å; R154-G172 PolarHBondContact NH2-O 3.48Å
155V88.8Confident89.3Confident1 Ų166.9 Ų66.91%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-124.9106-179.5-172.80000108.8L38 W41 I50 F121 L149 V153 G157 L158 V160 W252L38-V155 HydrophobicContact CD2-CG1 4.5Å; W41-V155 HydrophobicContact CE3-CG1 3.54Å; W41-V155 HydrophobicContact CZ3-CG1 3.54Å; I50-V155 HydrophobicContact CD1-CB 4.35Å; I50-V155 HydrophobicContact CD1-CG1 4.27Å; I50-V155 HydrophobicContact CD1-CG2 3.38Å; F121-V155 HydrophobicContact CE2-CG1 3.69Å; F121-V155 HydrophobicContact CZ-CG1 3.69Å; F121-V155 HydrophobicContact CZ-CG2 4.33Å; L149-V155 HydrophobicContact CD2-CG2 3.76Å; V153-V155 HydrophobicContact CG1-CG2 4.44Å; V155-G157 VanDerWaalsContact C-N 3.27Å; V155-G157 PolarHBondContact O-N 3.39Å; V155-G157 VanDerWaalsContact O-N 3.15Å; V155-L158 PolarHBondContact N-O 2.8Å; V155-L158 VanDerWaalsContact O-CB 3.28Å; V155-L158 WeakPolarHBondContact O-CB 3.4Å; V155-L158 PolarHBondContact O-N 2.83Å; V155-V160 HydrophobicContact CB-CG2 4.02Å; V155-V160 HydrophobicContact CG2-CB 4.18Å; V155-V160 HydrophobicContact CG2-CG2 3.59Å; V155-W252 HydrophobicContact CB-CH2 4.25Å; V155-W252 HydrophobicContact CG1-CH2 3.71Å; V155-W252 HydrophobicContact CG1-CZ2 4.25Å
156L85.8Confident89Confident23 Ų2367.4 Ų67.412%0.1233%0.331CS..THydrogen-bonded Turntrans4452.4-178.7-55.1175.3000111.4K37 L38 W41 Y116 L158 H197K37-L156 HydrophobicContact CG-CD1 4.35Å; L38-L156 HydrophobicContact CD2-CB 4.21Å; L38-L156 HydrophobicContact CD2-CD1 3.92Å; L38-L156 HydrophobicContact CD2-CG 4.49Å; L38-L156 HydrophobicContact CG-CD1 3.99Å; W41-L156 HydrophobicContact CE3-CD1 3.94Å; W41-L156 HydrophobicContact CE3-CG 4.39Å; W41-L156 HydrophobicContact CH2-CD1 4.06Å; W41-L156 HydrophobicContact CH2-CD2 4.38Å; W41-L156 HydrophobicContact CH2-CG 4.21Å; W41-L156 HydrophobicContact CZ3-CD1 3.52Å; W41-L156 HydrophobicContact CZ3-CD2 4.26Å; W41-L156 HydrophobicContact CZ3-CG 3.62Å; Y116-L156 HydrophobicContact CD1-CD1 4.37Å; Y116-L156 HydrophobicContact CD1-CD2 3.39Å; Y116-L156 HydrophobicContact CE1-CD2 3.57Å; Y116-L156 HydrophobicContact CG-CD1 4.47Å; Y116-L156 HydrophobicContact CG-CD2 4.21Å; L156-L158 VanDerWaalsContact C-N 3.32Å; L156-L158 PolarHBondContact O-N 3.16Å; L156-H197 PolarHBondContact O-CE1 3.14Å; L156-H197 PolarHBondContact O-NE2 3.42Å
157G83.7Confident89Confident25 Ų2564.9 Ų64.926%0.25832%0.319SS..THydrogen-bonded Turntrans768.1-18000000116.6V155 G172V155-G157 VanDerWaalsContact C-N 3.27Å; V155-G157 PolarHBondContact O-N 3.39Å; V155-G157 VanDerWaalsContact O-N 3.15Å; G157-G172 WeakPolarHBondContact O-CA 3.39Å; G157-G172 PolarHBondContact O-N 2.81Å
158L89.7Confident89Confident0 Ų061.6 Ų61.60%030%0.304CS..EExtended strand (participates in β ladder)trans-102.4153.2168.4-57.3177.1000110.6L38 R154 V155 L156 W169 S170 Y198 V248 W252L38-L158 HydrophobicContact CD1-CD1 4.17Å; L38-L158 HydrophobicContact CD2-CD1 3.83Å; R154-L158 CarbonylContact C-O 3.59Å; R154-L158 WeakPolarHBondContact CA-O 3.5Å; R154-L158 WeakPolarHBondContact CD-O 3.48Å; V155-L158 PolarHBondContact N-O 2.8Å; V155-L158 VanDerWaalsContact O-CB 3.28Å; V155-L158 WeakPolarHBondContact O-CB 3.4Å; V155-L158 PolarHBondContact O-N 2.83Å; L156-L158 VanDerWaalsContact C-N 3.32Å; L156-L158 PolarHBondContact O-N 3.16Å; L158-W169 HydrophobicContact CB-CE3 4.27Å; L158-W169 HydrophobicContact CD1-CD2 4.33Å; L158-W169 HydrophobicContact CD1-CE3 3.58Å; L158-W169 HydrophobicContact CD1-CZ3 3.83Å; L158-W169 HydrophobicContact CD2-CE3 3.46Å; L158-W169 VanDerWaalsContact CD2-CE3 3.46Å; L158-W169 HydrophobicContact CD2-CZ3 3.36Å; L158-W169 HydrophobicContact CG-CE3 3.95Å; L158-W169 HydrophobicContact CG-CZ3 4.18Å; L158-S170 CarbonylContact C-O 3.55Å; L158-S170 WeakPolarHBondContact CA-O 3.39Å; L158-Y198 HydrophobicContact CD2-CD1 3.17Å; L158-Y198 HydrophobicContact CD2-CE1 3.49Å; L158-Y198 VanDerWaalsContact CD2-CE1 3.49Å; L158-Y198 HydrophobicContact CD2-CG 4.15Å; L158-Y198 HydrophobicContact CG-CD1 4.41Å; L158-V248 HydrophobicContact CD2-CG1 4.48Å; L158-W252 HydrophobicContact CD1-CZ3 3.81Å
159K91.5Very high89.1Confident86 Ų8655.2 Ų55.237%0.37428%0.28SS..EExtended strand (participates in β ladder)trans-90.3136.8158.7-151.3173.8172.3-178.90108.3V153 W161 W169 S170V153-K159 CarbonylContact O-C 3.51Å; K159-W161 HydrophobicContact CB-CE3 4.16Å; K159-W161 HydrophobicContact CB-CZ3 4.09Å; K159-W161 HydrophobicContact CD-CE3 4.31Å; K159-W161 HydrophobicContact CG-CE3 4.14Å; K159-W161 HydrophobicContact CG-CZ3 4.48Å; K159-W169 CarbonylContact O-C 3.57Å; K159-W169 WeakPolarHBondContact O-CA 3.42Å; K159-W169 VanDerWaalsContact O-CB 3.24Å; K159-W169 WeakPolarHBondContact O-CB 3.25Å; K159-S170 WeakPolarHBondContact CB-OG 3.46Å; K159-S170 PolarHBondContact N-O 3.47Å; K159-S170 PolarHBondContact O-N 2.63Å
160V92.8Very high89.3Confident0 Ų055.9 Ų55.90%028%0.284CS..EExtended strand (participates in β ladder)trans-128.4133.2172.1-172.90000108.6L149 G152 V153 V155 T167 M168 W169 W252L149-V160 HydrophobicContact CB-CG1 4.11Å; L149-V160 HydrophobicContact CD2-CB 4.11Å; L149-V160 HydrophobicContact CD2-CG1 4Å; L149-V160 HydrophobicContact CG-CG1 4.44Å; L149-V160 CarbonylContact O-C 3.55Å; G152-V160 CarbonylContact C-O 3.58Å; G152-V160 WeakPolarHBondContact CA-O 3.36Å; G152-V160 PolarHBondContact N-O 3.47Å; V153-V160 PolarHBondContact N-O 3.38Å; V153-V160 PolarHBondContact O-N 2.81Å; V155-V160 HydrophobicContact CB-CG2 4.02Å; V155-V160 HydrophobicContact CG2-CB 4.18Å; V155-V160 HydrophobicContact CG2-CG2 3.59Å; V160-T167 HydrophobicContact CG1-CG2 3.37Å; V160-M168 CarbonylContact C-O 3.44Å; V160-M168 VanDerWaalsContact CA-O 3.28Å; V160-M168 WeakPolarHBondContact CA-O 3.43Å; V160-M168 WeakPolarHBondContact CG1-O 3.39Å; V160-W169 HydrophobicContact CG2-CB 4.06Å; V160-W252 HydrophobicContact CG1-CB 4.11Å; V160-W252 HydrophobicContact CG1-CD2 3.91Å; V160-W252 HydrophobicContact CG1-CE3 4.38Å; V160-W252 HydrophobicContact CG1-CG 3.76Å; V160-W252 HydrophobicContact CG2-CD2 3.92Å; V160-W252 HydrophobicContact CG2-CE3 3.61Å; V160-W252 HydrophobicContact CG2-CH2 4.37Å; V160-W252 HydrophobicContact CG2-CZ3 3.86Å
161W92.8Very high89.6Confident50 Ų5054.8 Ų54.819%0.18928%0.277CS..EExtended strand (participates in β ladder)trans-150.4169.1-179.670.998.2000111.3L149 K159 T167 M168 W169 S170L149-W161 VanDerWaalsContact O-CA 3.31Å; L149-W161 WeakPolarHBondContact O-CA 3.25Å; K159-W161 HydrophobicContact CB-CE3 4.16Å; K159-W161 HydrophobicContact CB-CZ3 4.09Å; K159-W161 HydrophobicContact CD-CE3 4.31Å; K159-W161 HydrophobicContact CG-CE3 4.14Å; K159-W161 HydrophobicContact CG-CZ3 4.48Å; W161-T167 CarbonylContact O-C 3.56Å; W161-T167 WeakPolarHBondContact O-CA 3.31Å; W161-M168 HydrophobicContact CD2-CB 4.24Å; W161-M168 HydrophobicContact CH2-CB 4.29Å; W161-M168 HydrophobicContact CZ2-CB 3.84Å; W161-M168 PolarHBondContact N-O 3.11Å; W161-M168 PolarHBondContact O-N 3Å; W161-W169 VanDerWaalsContact CZ3-C 3.45Å; W161-S170 VanDerWaalsContact CZ3-OG 3.23Å; W161-S170 WeakPolarHBondContact CZ3-OG 3.19Å
162E92.5Very high89.3Confident98 Ų9848.4 Ų48.446%0.45824%0.243SC..EExtended strand (participates in β ladder)trans-96.2132.8172.7-174.6172.3-158.500111.7A150 K166A150-E162 HydrophobicContact CB-CB 3.84Å; A150-E162 PolarHBondContact O-N 2.93Å; E162-K166 WeakPolarHBondContact CA-O 3.48Å
163E92.3Very high88.7Confident70 Ų7051.8 Ų51.833%0.32725%0.251SS..EExtended strand (participates in β ladder)trans-140.6122.9175.7-178.4179.6-11500108.7N165 K166 M168 R249E163-N165 VanDerWaalsContact C-N 3.34Å; E163-N165 PolarHBondContact O-N 3Å; E163-K166 PolarHBondContact N-O 3.25Å; E163-K166 PolarHBondContact O-N 3.04Å; E163-M168 HydrophobicContact CB-CG 3.78Å; E163-R249 IonicContact OE1-NH2 2.87Å; E163-R249 PolarHBondContact OE1-NH2 3.09Å; E163-R249 IonicContact OE2-CZ 3.38Å; E163-R249 IonicContact OE2-NH2 3.58Å; E163-R249 PolarHBondContact OE2-NH2 2.73Å
164Q88.1Confident87.9Confident174 Ų17460.5 Ų60.581%0.81329%0.291SS*.THydrogen-bonded Turntrans50.847.1178.7-59-179.4-12.400113.8K166Q164-K166 PolarHBondContact O-N 3.26Å
165N86.1Confident87.1Confident148 Ų14856.9 Ų56.979%0.79128%0.283SS*.THydrogen-bonded Turntrans60.820-177.2-53.8-26.4000114.7E163E163-N165 VanDerWaalsContact C-N 3.34Å; E163-N165 PolarHBondContact O-N 3Å
166K88.8Confident86.6Confident107 Ų10759 Ų5947%0.46530%0.304SS..EExtended strand (participates in β ladder)trans-121.4144.7173.6-63.2-179.4-177.4177.90109.4E162 E163 Q164 M168E162-K166 WeakPolarHBondContact CA-O 3.48Å; E163-K166 PolarHBondContact N-O 3.25Å; E163-K166 PolarHBondContact O-N 3.04Å; Q164-K166 PolarHBondContact O-N 3.26Å; K166-M168 HydrophobicContact CB-SD 4.07Å
167T91.4Very high86.8Confident8 Ų863.3 Ų63.35%0.04932%0.324CS..EExtended strand (participates in β ladder)trans-86.4119.8172.9-51.70000108.5L149 V160 W161 W252 D253L149-T167 HydrophobicContact CB-CG2 4.42Å; V160-T167 HydrophobicContact CG1-CG2 3.37Å; W161-T167 CarbonylContact O-C 3.56Å; W161-T167 WeakPolarHBondContact O-CA 3.31Å; T167-W252 HydrophobicContact CG2-CB 3.74Å; T167-W252 HydrophobicContact CG2-CG 3.89Å; T167-W252 WeakPolarHBondContact O-CB 3.28Å; T167-W252 PolarHBondContact O-N 3.27Å; T167-D253 PolarHBondContact N-OD1 2.95Å; T167-D253 VanDerWaalsContact N-OD1 3.12Å; T167-D253 VanDerWaalsContact O-OD1 3.05Å
168M93.4Very high87.2Confident28 Ų2863 Ų6314%0.13832%0.317CS..EExtended strand (participates in β ladder)trans-109.9157.6-177.8-57.4-53.8-70.600110.2V160 W161 E163 K166 G250 R251V160-M168 CarbonylContact C-O 3.44Å; V160-M168 VanDerWaalsContact CA-O 3.28Å; V160-M168 WeakPolarHBondContact CA-O 3.43Å; V160-M168 WeakPolarHBondContact CG1-O 3.39Å; W161-M168 HydrophobicContact CD2-CB 4.24Å; W161-M168 HydrophobicContact CH2-CB 4.29Å; W161-M168 HydrophobicContact CZ2-CB 3.84Å; W161-M168 PolarHBondContact N-O 3.11Å; W161-M168 PolarHBondContact O-N 3Å; E163-M168 HydrophobicContact CB-CG 3.78Å; K166-M168 HydrophobicContact CB-SD 4.07Å; M168-G250 WeakPolarHBondContact CA-O 3.47Å; M168-G250 WeakPolarHBondContact CE-O 3.24Å; M168-R251 HydrophobicContact SD-CB 4.31Å
169W93.1Very high87.3Confident2 Ų264.6 Ų64.61%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-139.2162.1174.169.6-74.8000112.8L158 K159 V160 W161 P199 V200 V248 R249 G250 R251 W252L158-W169 HydrophobicContact CB-CE3 4.27Å; L158-W169 HydrophobicContact CD1-CD2 4.33Å; L158-W169 HydrophobicContact CD1-CE3 3.58Å; L158-W169 HydrophobicContact CD1-CZ3 3.83Å; L158-W169 HydrophobicContact CD2-CE3 3.46Å; L158-W169 VanDerWaalsContact CD2-CE3 3.46Å; L158-W169 HydrophobicContact CD2-CZ3 3.36Å; L158-W169 HydrophobicContact CG-CE3 3.95Å; L158-W169 HydrophobicContact CG-CZ3 4.18Å; K159-W169 CarbonylContact O-C 3.57Å; K159-W169 WeakPolarHBondContact O-CA 3.42Å; K159-W169 VanDerWaalsContact O-CB 3.24Å; K159-W169 WeakPolarHBondContact O-CB 3.25Å; V160-W169 HydrophobicContact CG2-CB 4.06Å; W161-W169 VanDerWaalsContact CZ3-C 3.45Å; W169-P199 HydrophobicContact CH2-CB 4.42Å; W169-P199 HydrophobicContact CH2-CG 4.33Å; W169-V200 HydrophobicContact CH2-CB 4.21Å; W169-V200 HydrophobicContact CZ2-CB 4.01Å; W169-V200 HydrophobicContact CZ2-CG2 4.19Å; W169-V248 HydrophobicContact CE3-CG1 4.06Å; W169-V248 HydrophobicContact CH2-CG1 3.79Å; W169-V248 VanDerWaalsContact CH2-O 3.24Å; W169-V248 WeakPolarHBondContact CH2-O 3.22Å; W169-V248 WeakPolarHBondContact CZ2-O 3.45Å; W169-V248 HydrophobicContact CZ3-CG1 3.27Å; W169-V248 VanDerWaalsContact CZ3-O 3.28Å; W169-V248 WeakPolarHBondContact CZ3-O 3.41Å; W169-R249 VanDerWaalsContact O-CA 3.23Å; W169-R249 WeakPolarHBondContact O-CA 3.38Å; W169-R249 WeakPolarHBondContact O-CG 3.32Å; W169-G250 PolarHBondContact N-O 3.13Å; W169-G250 PolarHBondContact O-N 2.94Å; W169-R251 VanDerWaalsContact CD1-C 3.44Å; W169-R251 PolarHBondContact NE1-O 2.99Å; W169-W252 HydrophobicContact CB-CB 4.37Å; W169-W252 HydrophobicContact CB-CE3 4.01Å; W169-W252 HydrophobicContact CG-CB 4.48Å; W169-W252 HydrophobicContact CG-CE3 4.1Å
170S91.8Very high87.3Confident17 Ų1769.7 Ų69.712%0.11935%0.35CS..EExtended strand (participates in β ladder)trans-154.2176.317765.80000111.8L158 K159 W161 D246L158-S170 CarbonylContact C-O 3.55Å; L158-S170 WeakPolarHBondContact CA-O 3.39Å; K159-S170 WeakPolarHBondContact CB-OG 3.46Å; K159-S170 PolarHBondContact N-O 3.47Å; K159-S170 PolarHBondContact O-N 2.63Å; W161-S170 VanDerWaalsContact CZ3-OG 3.23Å; W161-S170 WeakPolarHBondContact CZ3-OG 3.19Å; S170-D246 WeakPolarHBondContact CB-OD2 3.47Å
171G87.1Confident87.4Confident16 Ų1678.2 Ų78.217%0.16539%0.387CS..EExtended strand (participates in β ladder)trans-55138.8171.400000113.1H173G171-H173 VanDerWaalsContact C-N 3.28Å; G171-H173 PolarHBondContact O-N 3.35Å
172G80.1Confident87.5Confident0 Ų076.2 Ų76.20%038%0.38CS..SBendtrans-74.1-15.5-177.900000115.1R154 G157R154-G172 PolarHBondContact NE-O 3.34Å; R154-G172 VanDerWaalsContact NH1-CA 3.27Å; R154-G172 PolarHBondContact NH1-O 2.91Å; R154-G172 PolarHBondContact NH2-O 3.48Å; G157-G172 WeakPolarHBondContact O-CA 3.39Å; G157-G172 PolarHBondContact O-N 2.81Å
173H75.2Confident87.7Confident98 Ų9872.6 Ų72.645%0.45437%0.365SS..SBendtrans-136.9142.7-171.5-62.2-63.1000109.2G171 V175G171-H173 VanDerWaalsContact C-N 3.28Å; G171-H173 PolarHBondContact O-N 3.35Å; H173-V175 PolarHBondContact O-N 2.95Å
174E73.1Confident87.9Confident195 Ų19571.3 Ų71.391%0.91136%0.357SS*.PPolyproline II helixtrans-65.2122.2166.6-74.8-177.4-179.100108G176E174-G176 PolarHBondContact O-N 2.73Å
175V70.8Confident88.2Confident48 Ų4868.7 Ų68.729%0.29134%0.34SS..PPolyproline II helixtrans-70120175.21710000108.1H173 Y190 T194 M242H173-V175 PolarHBondContact O-N 2.95Å; V175-Y190 HydrophobicContact CG1-CE2 4.23Å; V175-T194 HydrophobicContact CG1-CG2 3.54Å; V175-T194 HydrophobicContact CG2-CG2 4.31Å; V175-M242 HydrophobicContact CB-CE 4.01Å; V175-M242 HydrophobicContact CG1-CE 3.95Å; V175-M242 HydrophobicContact CG1-SD 4.43Å; V175-M242 HydrophobicContact CG2-CE 3.6Å
176G79.6Confident88.6Confident45 Ų4563.7 Ų63.746%0.46431%0.314SS..PPolyproline II helixtrans-67.2171.2177.700000113E174 Y190E174-G176 PolarHBondContact O-N 2.73Å; G176-Y190 VanDerWaalsContact O-CE2 3.3Å; G176-Y190 WeakPolarHBondContact O-CE2 3.32Å; G176-Y190 PolarHBondContact O-OH 2.9Å; G176-Y190 VanDerWaalsContact O-OH 3.05Å
177E89.6Confident89Confident114 Ų11458.6 Ų58.653%0.53329%0.292SS..PPolyproline II helixtrans-60.3149168.4-68.1-63155.400111.3K243E177-K243 IonicContact OE1-NZ 3.86Å; E177-K243 PolarHBondContact OE1-NZ 2.92Å
178P92.3Very high89.1Confident18 Ų1860.6 Ų60.612%0.11730%0.3CS..PPolyproline II helixtrans-52.7147.3169.8-26.134.9000112.1K180 Y190 L235 L236 A239P178-K180 PolarHBondContact O-N 3.19Å; P178-Y190 HydrophobicContact CB-CE1 4.5Å; P178-Y190 HydrophobicContact CG-CE1 4.17Å; P178-Y190 HydrophobicContact CG-CE2 4.49Å; P178-L235 HydrophobicContact CB-CB 4.03Å; P178-L235 HydrophobicContact CG-CB 4.03Å; P178-L236 HydrophobicContact CG-CD2 4.19Å; P178-A239 HydrophobicContact CG-CB 3.89Å
179P91.8Very high89.1Confident35 Ų3562.8 Ų62.823%0.22732%0.319CS..PPolyproline II helixtrans-61.1136.2-178.319.4-26.3000111.4K181 L182P179-K181 PolarHBondContact O-N 3.12Å; P179-L182 HydrophobicContact CG-CD2 3.86Å; P179-L182 WeakPolarHBondContact O-CD2 3.17Å
180K91.8Very high89.1Confident192 Ų19263.4 Ų63.484%0.83532%0.321SS*.SBendtrans-59.9-47.6179.8-66.7-175178.7-177.30111.6P178 R232P178-K180 PolarHBondContact O-N 3.19Å; K180-R232 PolarHBondContact O-NH1 3.32Å; K180-R232 PolarHBondContact O-NH2 3.1Å
181K93.7Very high89.2Confident180 Ų18062.6 Ų62.678%0.78332%0.316SS*.SBendtrans-93.1118.6173.7-65.9-175.2179.6-1770108.4P179 T186P179-K181 PolarHBondContact O-N 3.12Å; K181-T186 PolarHBondContact O-OG1 3.2Å
182L96.1Very high89.4Confident7 Ų763.4 Ų63.44%0.03732%0.324CS..  trans-94.6121.4178.3-58.4-177.7000109P179 V187 P225 V226 R232 L235P179-L182 HydrophobicContact CG-CD2 3.86Å; P179-L182 WeakPolarHBondContact O-CD2 3.17Å; L182-V187 HydrophobicContact CB-CG2 4.23Å; L182-V187 HydrophobicContact CD2-CG2 4.14Å; L182-P225 WeakPolarHBondContact O-CA 3.45Å; L182-V226 HydrophobicContact CB-CB 3.9Å; L182-V226 HydrophobicContact CB-CG2 4.48Å; L182-V226 PolarHBondContact O-N 3.36Å; L182-R232 HydrophobicContact CD1-CB 3.74Å; L182-R232 HydrophobicContact CD1-CG 4.24Å; L182-L235 HydrophobicContact CD1-CD1 4.16Å; L182-L235 HydrophobicContact CD2-CD1 3.88Å
183T96.2Very high89.8Confident22 Ų2269.6 Ų69.614%0.13535%0.353CS..BIsolated β-bridgetrans-123.4164.6159.5700000108.2R185 T186 V187 W222 E224T183-R185 PolarHBondContact O-N 3.29Å; T183-R185 PolarHBondContact OG1-N 3.43Å; T183-T186 PolarHBondContact N-OG1 3.19Å; T183-T186 PolarHBondContact O-N 3.43Å; T183-T186 PolarHBondContact O-OG1 3.49Å; T183-T186 PolarHBondContact OG1-N 3.46Å; T183-V187 WeakPolarHBondContact O-CG2 3.19Å; T183-V187 PolarHBondContact O-N 2.79Å; T183-W222 WeakPolarHBondContact CB-O 3.39Å; T183-W222 PolarHBondContact OG1-O 2.92Å; T183-E224 WeakPolarHBondContact CA-O 3.38Å; T183-E224 WeakPolarHBondContact CB-O 3.46Å
184W95.1Very high90.5Very high43 Ų4365 Ų6516%0.16333%0.332CS..Hα-helixtrans-48.2-48.8173-174.9-13.3000111.2T186 V187 F188 T215 N216 T219 W222W184-T186 PolarHBondContact O-N 2.86Å; W184-V187 PolarHBondContact O-N 2.71Å; W184-F188 AromaticContact CD1-CD2 3.22Å; W184-F188 AromaticContact CD1-CE2 3.32Å; W184-F188 AromaticContact CD1-CG 3.76Å; W184-F188 AromaticContact CD1-CZ 3.94Å; W184-F188 HydrophobicContact CG-CD2 4.47Å; W184-F188 AromaticContact NE1-CD1 3.98Å; W184-F188 AromaticContact NE1-CD2 3.46Å; W184-F188 AromaticContact NE1-CE1 3.69Å; W184-F188 AromaticContact NE1-CE2 3.1Å; W184-F188 AromaticContact NE1-CG 3.88Å; W184-F188 AromaticContact NE1-CZ 3.25Å; W184-F188 WeakPolarHBondContact O-CB 3.39Å; W184-F188 WeakPolarHBondContact O-CD2 3.21Å; W184-F188 PolarHBondContact O-N 3.23Å; W184-T215 HydrophobicContact CB-CG2 4.12Å; W184-T215 HydrophobicContact CG-CG2 4.15Å; W184-N216 HydrophobicContact CZ2-CB 4.45Å; W184-N216 WeakPolarHBondContact CZ2-OD1 3.45Å; W184-N216 PolarHBondContact NE1-OD1 2.97Å; W184-T219 VanDerWaalsContact CZ3-O 3.31Å; W184-T219 WeakPolarHBondContact CZ3-O 3.35Å; W184-W222 HydrophobicContact CB-CE3 4.46Å; W184-W222 AromaticContact CD1-CE3 3.8Å; W184-W222 AromaticContact CD1-CZ3 3.6Å; W184-W222 HydrophobicContact CD2-CE3 4.45Å; W184-W222 AromaticContact CG-CE3 3.98Å; W184-W222 HydrophobicContact CG-CE3 3.98Å; W184-W222 HydrophobicContact CG-CZ3 4.22Å; W184-W222 PolarHBondContact N-O 2.88Å; W184-W222 AromaticContact NE1-CZ3 3.7Å
185R95.1Very high91.3Very high120 Ų12056.5 Ų56.545%0.45329%0.293SS..Hα-helixtrans-56.1-49.4176.8-177.2-176.8-54.8-72.2-1.6112.7T183 S189 W222 D223T183-R185 PolarHBondContact O-N 3.29Å; T183-R185 PolarHBondContact OG1-N 3.43Å; R185-S189 WeakPolarHBondContact O-CB 3.43Å; R185-S189 PolarHBondContact O-N 3.37Å; R185-W222 HydrophobicContact CB-CE3 4.15Å; R185-W222 WeakPolarHBondContact CB-O 2.95Å; R185-W222 PolarHBondContact N-O 2.93Å; R185-D223 IonicContact CZ-OD1 3.1Å; R185-D223 IonicContact CZ-OD2 3.81Å; R185-D223 IonicContact NE-OD1 2.72Å; R185-D223 PolarHBondContact NE-OD1 2.83Å; R185-D223 IonicContact NE-OD2 3.14Å; R185-D223 IonicContact NH2-OD1 3.81Å; R185-D223 IonicContact NH2-OD2 2.73Å; R185-D223 PolarHBondContact NH2-OD2 2.87Å; R185-D223 VanDerWaalsContact NH2-OD2 3.12Å
186T95.5Very high91.9Very high42 Ų4256 Ų5626%0.25830%0.297SS..Hα-helixtrans-69.8-36.2-17661.60000112K181 T183 W184 Y190K181-T186 PolarHBondContact O-OG1 3.2Å; T183-T186 PolarHBondContact N-OG1 3.19Å; T183-T186 PolarHBondContact O-N 3.43Å; T183-T186 PolarHBondContact O-OG1 3.49Å; T183-T186 PolarHBondContact OG1-N 3.46Å; W184-T186 PolarHBondContact O-N 2.86Å; T186-Y190 VanDerWaalsContact O-CB 3.31Å; T186-Y190 WeakPolarHBondContact O-CB 3.23Å; T186-Y190 PolarHBondContact O-N 3.01Å
187V95.8Very high92.2Very high0 Ų057.3 Ų57.30%029%0.291CS..Hα-helixtrans-65.7-48.5176.4175.70000110L182 T183 W184 S189 Y190 C191 I211 T215 L235L182-V187 HydrophobicContact CB-CG2 4.23Å; L182-V187 HydrophobicContact CD2-CG2 4.14Å; T183-V187 WeakPolarHBondContact O-CG2 3.19Å; T183-V187 PolarHBondContact O-N 2.79Å; W184-V187 PolarHBondContact O-N 2.71Å; V187-S189 VanDerWaalsContact C-N 3.35Å; V187-S189 PolarHBondContact O-N 2.86Å; V187-Y190 PolarHBondContact O-N 3.31Å; V187-C191 WeakPolarHBondContact O-CB 3.19Å; V187-C191 PolarHBondContact O-N 3.01Å; V187-C191 PolarHBondContact O-SG 3.37Å; V187-C191 VanDerWaalsContact O-SG 3.37Å; V187-I211 HydrophobicContact CG1-CG2 3.65Å; V187-T215 HydrophobicContact CB-CG2 4.28Å; V187-T215 HydrophobicContact CG1-CG2 4.41Å; V187-T215 WeakPolarHBondContact CG1-OG1 3.4Å; V187-L235 HydrophobicContact CG1-CD1 4.35Å; V187-L235 HydrophobicContact CG2-CD1 4.09Å
188F94.8Very high92.2Very high50 Ų5052.8 Ų52.822%0.21927%0.269CS..Hα-helixtrans-64.1-40.5178.6-89.7-124.3000112.4W184 G192 K212 T215 N216 W222W184-F188 AromaticContact CD1-CD2 3.22Å; W184-F188 AromaticContact CD1-CE2 3.32Å; W184-F188 AromaticContact CD1-CG 3.76Å; W184-F188 AromaticContact CD1-CZ 3.94Å; W184-F188 HydrophobicContact CG-CD2 4.47Å; W184-F188 AromaticContact NE1-CD1 3.98Å; W184-F188 AromaticContact NE1-CD2 3.46Å; W184-F188 AromaticContact NE1-CE1 3.69Å; W184-F188 AromaticContact NE1-CE2 3.1Å; W184-F188 AromaticContact NE1-CG 3.88Å; W184-F188 AromaticContact NE1-CZ 3.25Å; W184-F188 WeakPolarHBondContact O-CB 3.39Å; W184-F188 WeakPolarHBondContact O-CD2 3.21Å; W184-F188 PolarHBondContact O-N 3.23Å; F188-G192 PolarHBondContact O-N 2.87Å; F188-K212 HydrophobicContact CD1-CD 4.17Å; F188-K212 HydrophobicContact CD1-CG 4.3Å; F188-K212 HydrophobicContact CD2-CB 4.33Å; F188-K212 HydrophobicContact CD2-CG 3.87Å; F188-K212 HydrophobicContact CE1-CB 4.24Å; F188-K212 HydrophobicContact CE1-CD 4.07Å; F188-K212 HydrophobicContact CE1-CG 4.13Å; F188-K212 HydrophobicContact CE2-CB 3.65Å; F188-K212 HydrophobicContact CE2-CG 3.7Å; F188-K212 WeakPolarHBondContact CE2-O 3.28Å; F188-K212 HydrophobicContact CG-CD 4.43Å; F188-K212 HydrophobicContact CG-CG 4.17Å; F188-K212 HydrophobicContact CZ-CB 3.58Å; F188-K212 HydrophobicContact CZ-CD 4.25Å; F188-K212 HydrophobicContact CZ-CG 3.83Å; F188-T215 HydrophobicContact CE2-CG2 4.32Å; F188-N216 WeakPolarHBondContact CZ-OD1 3.37Å; F188-W222 HydrophobicContact CB-CZ3 4.29Å; F188-W222 HydrophobicContact CD1-CH2 4.31Å; F188-W222 HydrophobicContact CD1-CZ3 4.27Å; F188-W222 HydrophobicContact CG-CZ3 4.27Å
189S92.3Very high92.1Very high75 Ų7552.1 Ų52.152%0.52427%0.265SS..Hα-helixtrans-60-48.6174.3-172.80000110.9R185 V187 G192 E193R185-S189 WeakPolarHBondContact O-CB 3.43Å; R185-S189 PolarHBondContact O-N 3.37Å; V187-S189 VanDerWaalsContact C-N 3.35Å; V187-S189 PolarHBondContact O-N 2.86Å; S189-G192 PolarHBondContact O-N 3.35Å; S189-E193 WeakPolarHBondContact O-CB 3.28Å; S189-E193 PolarHBondContact O-N 3.12Å
190Y94.2Very high92.2Very high14 Ų1451.5 Ų51.56%0.05526%0.261CS..Hα-helixtrans-60.4-53.5178.7-176.6-99.9000111.3V175 G176 P178 T186 V187 G192 E193 T194 L235 A239V175-Y190 HydrophobicContact CG1-CE2 4.23Å; G176-Y190 VanDerWaalsContact O-CE2 3.3Å; G176-Y190 WeakPolarHBondContact O-CE2 3.32Å; G176-Y190 PolarHBondContact O-OH 2.9Å; G176-Y190 VanDerWaalsContact O-OH 3.05Å; P178-Y190 HydrophobicContact CB-CE1 4.5Å; P178-Y190 HydrophobicContact CG-CE1 4.17Å; P178-Y190 HydrophobicContact CG-CE2 4.49Å; T186-Y190 VanDerWaalsContact O-CB 3.31Å; T186-Y190 WeakPolarHBondContact O-CB 3.23Å; T186-Y190 PolarHBondContact O-N 3.01Å; V187-Y190 PolarHBondContact O-N 3.31Å; Y190-G192 PolarHBondContact O-N 2.73Å; Y190-E193 PolarHBondContact O-N 3.24Å; Y190-E193 VanDerWaalsContact O-N 3.15Å; Y190-T194 HydrophobicContact CD1-CG2 4.25Å; Y190-T194 HydrophobicContact CE1-CG2 3.92Å; Y190-T194 HydrophobicContact CE2-CG2 4.39Å; Y190-T194 WeakPolarHBondContact O-CG2 3.39Å; Y190-T194 PolarHBondContact O-N 3.16Å; Y190-T194 PolarHBondContact O-OG1 3.43Å; Y190-L235 HydrophobicContact CD1-CD2 3.59Å; Y190-L235 HydrophobicContact CE1-CD2 3.93Å; Y190-A239 WeakPolarHBondContact OH-CB 2.85Å
191C93.9Very high92.2Very high1 Ų142.4 Ų42.41%0.00722%0.221CC..Hα-helixtrans-62.6-28.8178.3-68.40000113.6V187 T194 T208 K212V187-C191 WeakPolarHBondContact O-CB 3.19Å; V187-C191 PolarHBondContact O-N 3.01Å; V187-C191 PolarHBondContact O-SG 3.37Å; V187-C191 VanDerWaalsContact O-SG 3.37Å; C191-T194 WeakPolarHBondContact CA-OG1 3.43Å; C191-T194 PolarHBondContact O-OG1 3.34Å; C191-T194 VanDerWaalsContact O-OG1 3.13Å; C191-T208 HydrophobicContact CB-CG2 4.05Å; C191-K212 HydrophobicContact CB-CD 4.35Å; C191-K212 HydrophobicContact CB-CG 4.18Å
192G90.5Very high92.1Very high33 Ų3335.5 Ų35.534%0.3420%0.201SC..Hα-helixtrans-73.2-41.3174.100000112.3F188 S189 Y190 G196F188-G192 PolarHBondContact O-N 2.87Å; S189-G192 PolarHBondContact O-N 3.35Å; Y190-G192 PolarHBondContact O-N 2.73Å; G192-G196 WeakPolarHBondContact O-CA 3.07Å; G192-G196 PolarHBondContact O-N 2.58Å
193E88.7Confident92Very high130 Ų13040 Ų4061%0.60722%0.217SC*.Hα-helixtrans-67.4-35.6177.4-173.9173.5-174.600112.3S189 Y190S189-E193 WeakPolarHBondContact O-CB 3.28Å; S189-E193 PolarHBondContact O-N 3.12Å; Y190-E193 PolarHBondContact O-N 3.24Å; Y190-E193 VanDerWaalsContact O-N 3.15Å
194T89.3Confident91.9Very high2 Ų238.9 Ų38.91%0.01221%0.211CC..Hα-helixtrans-71.3-37.5-179.854.40000114V175 Y190 C191 Y198 L204 M242V175-T194 HydrophobicContact CG1-CG2 3.54Å; V175-T194 HydrophobicContact CG2-CG2 4.31Å; Y190-T194 HydrophobicContact CD1-CG2 4.25Å; Y190-T194 HydrophobicContact CE1-CG2 3.92Å; Y190-T194 HydrophobicContact CE2-CG2 4.39Å; Y190-T194 WeakPolarHBondContact O-CG2 3.39Å; Y190-T194 PolarHBondContact O-N 3.16Å; Y190-T194 PolarHBondContact O-OG1 3.43Å; C191-T194 WeakPolarHBondContact CA-OG1 3.43Å; C191-T194 PolarHBondContact O-OG1 3.34Å; C191-T194 VanDerWaalsContact O-OG1 3.13Å; T194-Y198 WeakPolarHBondContact O-CE2 3.35Å; T194-L204 WeakPolarHBondContact O-CD2 3.4Å; T194-M242 HydrophobicContact CG2-CE 4Å; T194-M242 HydrophobicContact CG2-SD 4.13Å
195V90Very high91.8Very high16 Ų1639 Ų3910%0.09721%0.211CC..Hα-helixtrans-85.8-33.5177.41780000111.2Y198 C201 L204 R205 T208V195-Y198 WeakPolarHBondContact O-CB 3.43Å; V195-Y198 WeakPolarHBondContact O-CD2 3.48Å; V195-Y198 PolarHBondContact O-N 3.13Å; V195-C201 PolarHBondContact O-SG 3.32Å; V195-L204 HydrophobicContact CG2-CD2 4.34Å; V195-L204 HydrophobicContact CG2-CG 4.09Å; V195-R205 HydrophobicContact CG1-CG 4.34Å; V195-R205 VanDerWaalsContact CG1-NH1 3.26Å; V195-T208 HydrophobicContact CG2-CG2 3.9Å; V195-T208 VanDerWaalsContact CG2-OG1 3.28Å; V195-T208 WeakPolarHBondContact CG2-OG1 3.28Å
196G84.6Confident91.7Very high36 Ų3635.8 Ų35.837%0.37121%0.205SC..THydrogen-bonded Turntrans50.6-147.5-179.100000112.9G192 Y198G192-G196 WeakPolarHBondContact O-CA 3.07Å; G192-G196 PolarHBondContact O-N 2.58Å; G196-Y198 VanDerWaalsContact C-N 3.34Å
197H84.9Confident91.7Very high74 Ų7434.9 Ų34.934%0.34320%0.202SC..THydrogen-bonded Turntrans-102.124.6169.860.4-80.2000111.2C34 L156C34-H197 PolarHBondContact SG-CD2 3.15Å; L156-H197 PolarHBondContact O-CE1 3.14Å; L156-H197 PolarHBondContact O-NE2 3.42Å
198Y89.4Confident91.7Very high18 Ų1835.1 Ų35.17%0.07120%0.203CC..  trans-64.3136.4-178.1-55.3-36.7000110.3L158 T194 V195 G196 V200 R205 V248L158-Y198 HydrophobicContact CD2-CD1 3.17Å; L158-Y198 HydrophobicContact CD2-CE1 3.49Å; L158-Y198 VanDerWaalsContact CD2-CE1 3.49Å; L158-Y198 HydrophobicContact CD2-CG 4.15Å; L158-Y198 HydrophobicContact CG-CD1 4.41Å; T194-Y198 WeakPolarHBondContact O-CE2 3.35Å; V195-Y198 WeakPolarHBondContact O-CB 3.43Å; V195-Y198 WeakPolarHBondContact O-CD2 3.48Å; V195-Y198 PolarHBondContact O-N 3.13Å; G196-Y198 VanDerWaalsContact C-N 3.34Å; Y198-V200 VanDerWaalsContact C-N 3.33Å; Y198-V200 PolarHBondContact O-N 2.73Å; Y198-R205 PolarHBondContact O-NH2 3.03Å; Y198-V248 HydrophobicContact CD1-CG1 4.08Å; Y198-V248 HydrophobicContact CD2-CB 4.18Å; Y198-V248 HydrophobicContact CD2-CG1 3.61Å; Y198-V248 HydrophobicContact CD2-CG2 3.41Å; Y198-V248 VanDerWaalsContact CD2-CG2 3.41Å; Y198-V248 HydrophobicContact CE2-CG1 4.14Å; Y198-V248 HydrophobicContact CE2-CG2 3.88Å; Y198-V248 HydrophobicContact CG-CG1 3.54Å; Y198-V248 HydrophobicContact CG-CG2 4.16Å
199P91Very high91.6Very high5 Ų534 Ų343%0.03220%0.203CC..SBendtrans-63.9-35.8179.5-25.934.4000113.6L38 W169 R205 E282 D283L38-P199 HydrophobicContact CB-CG 4.2Å; L38-P199 HydrophobicContact CD1-CG 4.03Å; W169-P199 HydrophobicContact CH2-CB 4.42Å; W169-P199 HydrophobicContact CH2-CG 4.33Å; P199-R205 PolarHBondContact O-NH2 3.35Å; P199-R205 VanDerWaalsContact O-NH2 3.13Å; P199-E282 WeakPolarHBondContact O-CA 3.28Å; P199-E282 WeakPolarHBondContact O-CG 3.47Å; P199-D283 PolarHBondContact O-N 3.28Å; P199-D283 VanDerWaalsContact O-N 3.09Å
200V92.5Very high91.7Very high22 Ų2232.1 Ų32.113%0.13319%0.187CC..  trans-126.1130.6-178.5-176.90000108.7W169 Y198 I280 D283W169-V200 HydrophobicContact CH2-CB 4.21Å; W169-V200 HydrophobicContact CZ2-CB 4.01Å; W169-V200 HydrophobicContact CZ2-CG2 4.19Å; Y198-V200 VanDerWaalsContact C-N 3.33Å; Y198-V200 PolarHBondContact O-N 2.73Å; V200-I280 HydrophobicContact CG1-CG2 4.29Å; V200-I280 HydrophobicContact CG2-CB 4.4Å; V200-I280 HydrophobicContact CG2-CG2 3.86Å; V200-D283 WeakPolarHBondContact CA-OD1 3.31Å; V200-D283 WeakPolarHBondContact CG1-OD2 3.38Å
201C92.7Very high91.8Very high0 Ų031.5 Ų31.50%019%0.185CC..  trans-137.4-1.8172.3-51.60000113.5V195 W203 L204 R205 D283V195-C201 PolarHBondContact O-SG 3.32Å; C201-W203 PolarHBondContact O-N 3.44Å; C201-L204 HydrophobicContact CB-CB 4.19Å; C201-L204 WeakPolarHBondContact O-CB 3.24Å; C201-L204 PolarHBondContact O-N 3.37Å; C201-R205 HydrophobicContact CB-CG 3.7Å; C201-D283 PolarHBondContact N-OD1 2.91Å; C201-D283 VanDerWaalsContact N-OD1 3.13Å; C201-D283 PolarHBondContact N-OD2 2.97Å
202G92.4Very high91.8Very high35 Ų3534.1 Ų34.136%0.36120%0.196SC..THydrogen-bonded Turntrans47.2-127.9-178.700000113.2L204 R205 D283G202-L204 PolarHBondContact O-N 2.88Å; G202-L204 VanDerWaalsContact O-N 3.07Å; G202-R205 PolarHBondContact O-N 2.84Å; G202-D283 VanDerWaalsContact CA-OD2 3.24Å; G202-D283 WeakPolarHBondContact CA-OD2 3.48Å; G202-D283 PolarHBondContact N-OD2 2.69Å
203W92.9Very high92Very high101 Ų10135 Ų3538%0.38319%0.189SC..Hα-helixtrans-56.6-25-179.866.9-98.5000113.7C201 R205 T206 A207 V238 A241 M242 P247C201-W203 PolarHBondContact O-N 3.44Å; W203-R205 VanDerWaalsContact C-N 3.29Å; W203-R205 PolarHBondContact O-N 2.85Å; W203-T206 PolarHBondContact O-N 2.66Å; W203-A207 HydrophobicContact CE3-CB 3.89Å; W203-A207 HydrophobicContact CZ3-CB 4.01Å; W203-A207 WeakPolarHBondContact O-CB 3.45Å; W203-A207 PolarHBondContact O-N 2.72Å; W203-V238 HydrophobicContact CH2-CG1 4.23Å; W203-V238 HydrophobicContact CZ3-CG1 4.16Å; W203-V238 HydrophobicContact CZ3-CG2 4.19Å; W203-A241 HydrophobicContact CH2-CB 3.58Å; W203-A241 HydrophobicContact CZ2-CB 3.75Å; W203-A241 HydrophobicContact CZ3-CB 4.48Å; W203-M242 HydrophobicContact CH2-CG 3.93Å; W203-M242 HydrophobicContact CZ2-CG 4.21Å; W203-P247 HydrophobicContact CZ2-CB 4.33Å; W203-P247 HydrophobicContact CZ2-CG 4.29Å
204L94.3Very high92.3Very high0 Ų030.5 Ų30.50%017%0.168CC..Hα-helixtrans-65-32.4-177.1-175.664.1000111.9T194 V195 C201 G202 T208 V238 M242 P247T194-L204 WeakPolarHBondContact O-CD2 3.4Å; V195-L204 HydrophobicContact CG2-CD2 4.34Å; V195-L204 HydrophobicContact CG2-CG 4.09Å; C201-L204 HydrophobicContact CB-CB 4.19Å; C201-L204 WeakPolarHBondContact O-CB 3.24Å; C201-L204 PolarHBondContact O-N 3.37Å; G202-L204 PolarHBondContact O-N 2.88Å; G202-L204 VanDerWaalsContact O-N 3.07Å; L204-T208 HydrophobicContact CD1-CG2 3.8Å; L204-T208 HydrophobicContact CG-CG2 4.14Å; L204-T208 WeakPolarHBondContact O-CB 3.37Å; L204-T208 VanDerWaalsContact O-CG2 3.29Å; L204-T208 WeakPolarHBondContact O-CG2 3.26Å; L204-T208 PolarHBondContact O-N 3.13Å; L204-T208 PolarHBondContact O-OG1 3.19Å; L204-V238 HydrophobicContact CD1-CG1 3.51Å; L204-M242 HydrophobicContact CD1-CE 4.45Å; L204-M242 HydrophobicContact CD1-CG 4.14Å; L204-M242 HydrophobicContact CD1-SD 3.61Å; L204-M242 HydrophobicContact CD2-CE 3.8Å; L204-M242 HydrophobicContact CD2-SD 4.06Å; L204-P247 HydrophobicContact CB-CB 4.26Å; L204-P247 HydrophobicContact CB-CG 4Å; L204-P247 HydrophobicContact CD2-CG 3.76Å; L204-P247 HydrophobicContact CG-CG 4.42Å
205R93.6Very high92.5Very high46 Ų4630.4 Ų30.417%0.17417%0.167CC..Hα-helixtrans-62.2-49.5176.2-61.8-158.4-174.9-84.62.1111V195 Y198 P199 C201 G202 W203 T208 A209 D283 A285V195-R205 HydrophobicContact CG1-CG 4.34Å; V195-R205 VanDerWaalsContact CG1-NH1 3.26Å; Y198-R205 PolarHBondContact O-NH2 3.03Å; P199-R205 PolarHBondContact O-NH2 3.35Å; P199-R205 VanDerWaalsContact O-NH2 3.13Å; C201-R205 HydrophobicContact CB-CG 3.7Å; G202-R205 PolarHBondContact O-N 2.84Å; W203-R205 VanDerWaalsContact C-N 3.29Å; W203-R205 PolarHBondContact O-N 2.85Å; R205-T208 PolarHBondContact O-OG1 2.85Å; R205-T208 VanDerWaalsContact O-OG1 3.09Å; R205-A209 VanDerWaalsContact O-CB 3.24Å; R205-A209 WeakPolarHBondContact O-CB 3.49Å; R205-A209 PolarHBondContact O-N 3.09Å; R205-D283 IonicContact CZ-OD1 2.74Å; R205-D283 PolarHBondContact NE-O 3.37Å; R205-D283 IonicContact NE-OD1 2.9Å; R205-D283 PolarHBondContact NE-OD1 3.23Å; R205-D283 PolarHBondContact NH2-O 2.83Å; R205-D283 IonicContact NH2-OD1 2.68Å; R205-D283 PolarHBondContact NH2-OD1 2.98Å; R205-D283 VanDerWaalsContact NH2-OD1 3.14Å; R205-A285 HydrophobicContact CB-CB 3.82Å
206T93.1Very high92.7Very high52 Ų5233 Ų3332%0.31918%0.18SC..Hα-helixtrans-65.5-45-179.7-50.60000111.1W203 T208 A209 L210 A269 A285 L287W203-T206 PolarHBondContact O-N 2.66Å; T206-T208 PolarHBondContact O-N 3.05Å; T206-A209 PolarHBondContact O-N 3.24Å; T206-L210 WeakPolarHBondContact O-CB 3.36Å; T206-L210 PolarHBondContact O-N 3.34Å; T206-A269 HydrophobicContact CG2-CB 4.23Å; T206-A285 WeakPolarHBondContact OG1-CB 3.49Å; T206-L287 HydrophobicContact CG2-CD2 4.44Å
207A94.7Very high93.1Very high23 Ų2337.5 Ų37.519%0.1920%0.196CC..Hα-helixtrans-61.5-46.4179.700000112.2W203 L210 I211 V238W203-A207 HydrophobicContact CE3-CB 3.89Å; W203-A207 HydrophobicContact CZ3-CB 4.01Å; W203-A207 WeakPolarHBondContact O-CB 3.45Å; W203-A207 PolarHBondContact O-N 2.72Å; A207-L210 PolarHBondContact O-N 3.39Å; A207-I211 WeakPolarHBondContact O-CG1 3.24Å; A207-I211 PolarHBondContact O-N 3.19Å; A207-V238 HydrophobicContact CB-CG2 3.99Å
208T95Very high93.5Very high5 Ų536.3 Ų36.33%0.03120%0.199CC..Hα-helixtrans-70.1-36.117955.30000112.7C191 V195 L204 R205 T206 L210 I211 K212C191-T208 HydrophobicContact CB-CG2 4.05Å; V195-T208 HydrophobicContact CG2-CG2 3.9Å; V195-T208 VanDerWaalsContact CG2-OG1 3.28Å; V195-T208 WeakPolarHBondContact CG2-OG1 3.28Å; L204-T208 HydrophobicContact CD1-CG2 3.8Å; L204-T208 HydrophobicContact CG-CG2 4.14Å; L204-T208 WeakPolarHBondContact O-CB 3.37Å; L204-T208 VanDerWaalsContact O-CG2 3.29Å; L204-T208 WeakPolarHBondContact O-CG2 3.26Å; L204-T208 PolarHBondContact O-N 3.13Å; L204-T208 PolarHBondContact O-OG1 3.19Å; R205-T208 PolarHBondContact O-OG1 2.85Å; R205-T208 VanDerWaalsContact O-OG1 3.09Å; T206-T208 PolarHBondContact O-N 3.05Å; T208-L210 VanDerWaalsContact C-N 3.33Å; T208-I211 PolarHBondContact O-N 2.78Å; T208-K212 WeakPolarHBondContact O-CB 3.04Å; T208-K212 VanDerWaalsContact O-CG 3.28Å; T208-K212 WeakPolarHBondContact O-CG 3.01Å; T208-K212 PolarHBondContact O-N 2.97Å
209A93.7Very high93.6Very high26 Ų2636 Ų3622%0.21520%0.199CC..Hα-helixtrans-62.1-42.3172.700000111.2R205 T206 K212 R213 L287R205-A209 VanDerWaalsContact O-CB 3.24Å; R205-A209 WeakPolarHBondContact O-CB 3.49Å; R205-A209 PolarHBondContact O-N 3.09Å; T206-A209 PolarHBondContact O-N 3.24Å; A209-K212 PolarHBondContact O-N 2.92Å; A209-R213 PolarHBondContact O-N 2.94Å; A209-L287 HydrophobicContact CB-CD1 4.1Å; A209-L287 HydrophobicContact CB-CD2 4.39Å; A209-L287 HydrophobicContact CB-CG 3.91Å; A209-L287 WeakPolarHBondContact O-CD1 3.48Å
210L94.4Very high93.6Very high35 Ų3540 Ų4018%0.18323%0.228CC..Hα-helixtrans-62-48.5177.9-179.262.3000111.5T206 A207 T208 K212 R213 E214 L268 L287T206-L210 WeakPolarHBondContact O-CB 3.36Å; T206-L210 PolarHBondContact O-N 3.34Å; A207-L210 PolarHBondContact O-N 3.39Å; T208-L210 VanDerWaalsContact C-N 3.33Å; L210-K212 VanDerWaalsContact C-N 3.29Å; L210-K212 PolarHBondContact O-N 3.25Å; L210-R213 PolarHBondContact O-N 3.03Å; L210-R213 VanDerWaalsContact O-N 3.12Å; L210-E214 HydrophobicContact CD1-CG 4.45Å; L210-E214 WeakPolarHBondContact O-CG 3.24Å; L210-E214 PolarHBondContact O-N 2.77Å; L210-L268 HydrophobicContact CD1-CD2 4.37Å; L210-L287 HydrophobicContact CB-CD1 4.49Å
211I96.1Very high93.6Very high2 Ų247.9 Ų47.91%0.0126%0.255CS..Hα-helixtrans-58.8-41.8177.1-69.6166.8000111.1V187 A207 T208 E214 T215 I231 R234 L235 V238V187-I211 HydrophobicContact CG1-CG2 3.65Å; A207-I211 WeakPolarHBondContact O-CG1 3.24Å; A207-I211 PolarHBondContact O-N 3.19Å; T208-I211 PolarHBondContact O-N 2.78Å; I211-E214 PolarHBondContact O-N 2.86Å; I211-T215 WeakPolarHBondContact O-CB 3.43Å; I211-T215 PolarHBondContact O-N 3.23Å; I211-T215 PolarHBondContact O-OG1 3.27Å; I211-I231 HydrophobicContact CG2-CG2 4.29Å; I211-R234 HydrophobicContact CD1-CB 4.03Å; I211-R234 HydrophobicContact CG1-CB 3.98Å; I211-L235 HydrophobicContact CD1-CD2 4.14Å; I211-L235 HydrophobicContact CD1-CG 4.38Å; I211-L235 HydrophobicContact CG2-CD2 3.99Å; I211-L235 HydrophobicContact CG2-CG 4.11Å; I211-V238 HydrophobicContact CD1-CG2 3.8Å
212K94.8Very high93.5Very high56 Ų5654 Ų5424%0.24328%0.278CS..Hα-helixtrans-61.7-43.6175.5-75.6178.6-171.8175.60111.6F188 C191 T208 A209 L210 T215 N216F188-K212 HydrophobicContact CD1-CD 4.17Å; F188-K212 HydrophobicContact CD1-CG 4.3Å; F188-K212 HydrophobicContact CD2-CB 4.33Å; F188-K212 HydrophobicContact CD2-CG 3.87Å; F188-K212 HydrophobicContact CE1-CB 4.24Å; F188-K212 HydrophobicContact CE1-CD 4.07Å; F188-K212 HydrophobicContact CE1-CG 4.13Å; F188-K212 HydrophobicContact CE2-CB 3.65Å; F188-K212 HydrophobicContact CE2-CG 3.7Å; F188-K212 WeakPolarHBondContact CE2-O 3.28Å; F188-K212 HydrophobicContact CG-CD 4.43Å; F188-K212 HydrophobicContact CG-CG 4.17Å; F188-K212 HydrophobicContact CZ-CB 3.58Å; F188-K212 HydrophobicContact CZ-CD 4.25Å; F188-K212 HydrophobicContact CZ-CG 3.83Å; C191-K212 HydrophobicContact CB-CD 4.35Å; C191-K212 HydrophobicContact CB-CG 4.18Å; T208-K212 WeakPolarHBondContact O-CB 3.04Å; T208-K212 VanDerWaalsContact O-CG 3.28Å; T208-K212 WeakPolarHBondContact O-CG 3.01Å; T208-K212 PolarHBondContact O-N 2.97Å; A209-K212 PolarHBondContact O-N 2.92Å; L210-K212 VanDerWaalsContact C-N 3.29Å; L210-K212 PolarHBondContact O-N 3.25Å; K212-T215 PolarHBondContact O-N 2.9Å; K212-N216 PolarHBondContact O-N 3.24Å; K212-N216 PolarHBondContact O-OD1 3.48Å
213R93.2Very high93.6Very high52 Ų5257.1 Ų57.120%0.19629%0.286CS..Hα-helixtrans-64.8-45.3176.8-174.6174.664.6-173.7-5.4112.2A209 L210 T215 N216 N217 L287A209-R213 PolarHBondContact O-N 2.94Å; L210-R213 PolarHBondContact O-N 3.03Å; L210-R213 VanDerWaalsContact O-N 3.12Å; R213-T215 PolarHBondContact O-N 2.82Å; R213-N216 WeakPolarHBondContact O-CB 3.41Å; R213-N216 PolarHBondContact O-N 3.29Å; R213-N217 PolarHBondContact O-N 2.89Å; R213-N217 VanDerWaalsContact O-N 3.09Å; R213-L287 HydrophobicContact CB-CD1 3.9Å
214E94.8Very high93.6Very high34 Ų3455.9 Ų55.916%0.15929%0.285CS..Hα-helixtrans-58.7-39.7175.3-70.7177.5167.600111.1L210 I211 N217 A218 I231 R234L210-E214 HydrophobicContact CD1-CG 4.45Å; L210-E214 WeakPolarHBondContact O-CG 3.24Å; L210-E214 PolarHBondContact O-N 2.77Å; I211-E214 PolarHBondContact O-N 2.86Å; E214-N217 PolarHBondContact O-N 2.9Å; E214-A218 WeakPolarHBondContact O-CB 3.42Å; E214-A218 PolarHBondContact O-N 2.84Å; E214-I231 HydrophobicContact CB-CD1 4.14Å; E214-I231 HydrophobicContact CB-CG1 4.03Å; E214-R234 VanDerWaalsContact CD-NE 3.3Å; E214-R234 IonicContact OE1-CZ 2.87Å; E214-R234 VanDerWaalsContact OE1-CZ 3.29Å; E214-R234 IonicContact OE1-NE 2.55Å; E214-R234 PolarHBondContact OE1-NE 2.86Å; E214-R234 IonicContact OE1-NH2 3.38Å; E214-R234 PolarHBondContact OE1-NH2 2.83Å; E214-R234 WeakPolarHBondContact OE2-CD 3.46Å; E214-R234 IonicContact OE2-NE 3.29Å; E214-R234 PolarHBondContact OE2-NE 3.34Å
215T95.3Very high93.7Very high0 Ų059.7 Ų59.70%031%0.31CS..Hα-helixtrans-65.6-39.8176.4-56.50000113W184 V187 F188 I211 K212 R213 N217 A218 T219 V226W184-T215 HydrophobicContact CB-CG2 4.12Å; W184-T215 HydrophobicContact CG-CG2 4.15Å; V187-T215 HydrophobicContact CB-CG2 4.28Å; V187-T215 HydrophobicContact CG1-CG2 4.41Å; V187-T215 WeakPolarHBondContact CG1-OG1 3.4Å; F188-T215 HydrophobicContact CE2-CG2 4.32Å; I211-T215 WeakPolarHBondContact O-CB 3.43Å; I211-T215 PolarHBondContact O-N 3.23Å; I211-T215 PolarHBondContact O-OG1 3.27Å; K212-T215 PolarHBondContact O-N 2.9Å; R213-T215 PolarHBondContact O-N 2.82Å; T215-N217 PolarHBondContact O-N 3.4Å; T215-A218 PolarHBondContact O-N 2.76Å; T215-T219 PolarHBondContact O-N 3.27Å; T215-T219 VanDerWaalsContact O-N 3.13Å; T215-T219 PolarHBondContact O-OG1 3.2Å; T215-T219 VanDerWaalsContact O-OG1 3.05Å; T215-V226 HydrophobicContact CG2-CG2 4.01Å
216N93.3Very high93.7Very high70 Ų7058 Ų5837%0.37430%0.304SS..Hα-helixtrans-61.2-35.7173.6-70.7-10.1000111.8W184 F188 K212 R213 T219W184-N216 HydrophobicContact CZ2-CB 4.45Å; W184-N216 WeakPolarHBondContact CZ2-OD1 3.45Å; W184-N216 PolarHBondContact NE1-OD1 2.97Å; F188-N216 WeakPolarHBondContact CZ-OD1 3.37Å; K212-N216 PolarHBondContact O-N 3.24Å; K212-N216 PolarHBondContact O-OD1 3.48Å; R213-N216 WeakPolarHBondContact O-CB 3.41Å; R213-N216 PolarHBondContact O-N 3.29Å; N216-T219 VanDerWaalsContact O-O 3.05Å
217N92.6Very high93.7Very high132 Ų13266 Ų6671%0.70633%0.329SS*.Hα-helixtrans-75.9-30.9178.7-66.1-13.2000112.1R213 E214 T215R213-N217 PolarHBondContact O-N 2.89Å; R213-N217 VanDerWaalsContact O-N 3.09Å; E214-N217 PolarHBondContact O-N 2.9Å; T215-N217 PolarHBondContact O-N 3.4Å
218A92.7Very high93.6Very high48 Ų4868 Ų6840%0.39734%0.336SS..Hα-helixtrans-83.6-22.8-176.200000114.3E214 T215 I231E214-A218 WeakPolarHBondContact O-CB 3.42Å; E214-A218 PolarHBondContact O-N 2.84Å; T215-A218 PolarHBondContact O-N 2.76Å; A218-I231 HydrophobicContact CB-CD1 3.9Å
219T92.8Very high93.5Very high11 Ų1172.9 Ų72.97%0.06736%0.362CS..  trans-142.7154.3-174.659.10000112.3W184 T215 N216 E224 V226W184-T219 VanDerWaalsContact CZ3-O 3.31Å; W184-T219 WeakPolarHBondContact CZ3-O 3.35Å; T215-T219 PolarHBondContact O-N 3.27Å; T215-T219 VanDerWaalsContact O-N 3.13Å; T215-T219 PolarHBondContact O-OG1 3.2Å; T215-T219 VanDerWaalsContact O-OG1 3.05Å; N216-T219 VanDerWaalsContact O-O 3.05Å; T219-E224 HydrophobicContact CG2-CG 4.18Å; T219-V226 HydrophobicContact CG2-CB 4.42Å; T219-V226 HydrophobicContact CG2-CG2 3.78Å
220S90.7Very high93.6Very high91 Ų9176.3 Ų76.364%0.63637%0.373SS*.SBendtrans-110.4-15.6-177.765.50000113.8E224S220-E224 PolarHBondContact N-OE2 3.07Å; S220-E224 PolarHBondContact OG-OE2 2.87Å
221R92Very high93.8Very high187 Ų18774.7 Ų74.771%0.70637%0.365SS*.SBendtrans-126.5146.5-177.2-58.9178.1178.4-175.6-0.9112D223 E224R221-D223 VanDerWaalsContact C-N 3.27Å; R221-D223 PolarHBondContact O-N 3.24Å; R221-D223 VanDerWaalsContact O-N 3.14Å; R221-E224 HydrophobicContact CB-CB 4.08Å; R221-E224 PolarHBondContact N-OE2 3.2Å; R221-E224 WeakPolarHBondContact O-CB 3.36Å; R221-E224 PolarHBondContact O-N 3.03Å
222W91.7Very high93.7Very high128 Ų12878.4 Ų78.449%0.48538%0.379SS..THydrogen-bonded Turntrans-53.3-37.6-177.1-77.5106.5000115.2T183 W184 R185 F188T183-W222 WeakPolarHBondContact CB-O 3.39Å; T183-W222 PolarHBondContact OG1-O 2.92Å; W184-W222 HydrophobicContact CB-CE3 4.46Å; W184-W222 AromaticContact CD1-CE3 3.8Å; W184-W222 AromaticContact CD1-CZ3 3.6Å; W184-W222 HydrophobicContact CD2-CE3 4.45Å; W184-W222 AromaticContact CG-CE3 3.98Å; W184-W222 HydrophobicContact CG-CE3 3.98Å; W184-W222 HydrophobicContact CG-CZ3 4.22Å; W184-W222 PolarHBondContact N-O 2.88Å; W184-W222 AromaticContact NE1-CZ3 3.7Å; R185-W222 HydrophobicContact CB-CE3 4.15Å; R185-W222 WeakPolarHBondContact CB-O 2.95Å; R185-W222 PolarHBondContact N-O 2.93Å; F188-W222 HydrophobicContact CB-CZ3 4.29Å; F188-W222 HydrophobicContact CD1-CH2 4.31Å; F188-W222 HydrophobicContact CD1-CZ3 4.27Å; F188-W222 HydrophobicContact CG-CZ3 4.27Å
223D93.8Very high93.8Very high101 Ų10179.8 Ų79.854%0.5439%0.389SS..THydrogen-bonded Turntrans-111.610.9-172.6-58.3-62.5000112.4R185 R221R185-D223 IonicContact CZ-OD1 3.1Å; R185-D223 IonicContact CZ-OD2 3.81Å; R185-D223 IonicContact NE-OD1 2.72Å; R185-D223 PolarHBondContact NE-OD1 2.83Å; R185-D223 IonicContact NE-OD2 3.14Å; R185-D223 IonicContact NH2-OD1 3.81Å; R185-D223 IonicContact NH2-OD2 2.73Å; R185-D223 PolarHBondContact NH2-OD2 2.87Å; R185-D223 VanDerWaalsContact NH2-OD2 3.12Å; R221-D223 VanDerWaalsContact C-N 3.27Å; R221-D223 PolarHBondContact O-N 3.24Å; R221-D223 VanDerWaalsContact O-N 3.14Å
224E93.2Very high94Very high75 Ų7580.7 Ų80.735%0.3539%0.392SS..SBendtrans-70.3135.2171.5-179.3172.4-161.500110.5T183 T219 S220 R221 V226T183-E224 WeakPolarHBondContact CA-O 3.38Å; T183-E224 WeakPolarHBondContact CB-O 3.46Å; T219-E224 HydrophobicContact CG2-CG 4.18Å; S220-E224 PolarHBondContact N-OE2 3.07Å; S220-E224 PolarHBondContact OG-OE2 2.87Å; R221-E224 HydrophobicContact CB-CB 4.08Å; R221-E224 PolarHBondContact N-OE2 3.2Å; R221-E224 WeakPolarHBondContact O-CB 3.36Å; R221-E224 PolarHBondContact O-N 3.03Å; E224-V226 PolarHBondContact O-N 2.91Å
225P95.4Very high94.1Very high80 Ų8079.1 Ų79.152%0.51939%0.385SS..BIsolated β-bridgetrans-65126.7177.4-22.133.4000112.4L182 R227L182-P225 WeakPolarHBondContact O-CA 3.45Å; P225-R227 PolarHBondContact O-N 3.01Å
226V95.2Very high94.1Very high9 Ų983 Ų836%0.05541%0.405CS..  trans-78.9113.1169.6-179.50000108L182 T215 T219 E224 D228 I231L182-V226 HydrophobicContact CB-CB 3.9Å; L182-V226 HydrophobicContact CB-CG2 4.48Å; L182-V226 PolarHBondContact O-N 3.36Å; T215-V226 HydrophobicContact CG2-CG2 4.01Å; T219-V226 HydrophobicContact CG2-CB 4.42Å; T219-V226 HydrophobicContact CG2-CG2 3.78Å; E224-V226 PolarHBondContact O-N 2.91Å; V226-D228 HydrophobicContact CG1-CB 4.34Å; V226-I231 HydrophobicContact CG1-CB 4.24Å; V226-I231 HydrophobicContact CG1-CD1 3.69Å; V226-I231 HydrophobicContact CG1-CG2 4.24Å
227R92.4Very high94.2Very high222 Ų22285.4 Ų85.484%0.83841%0.414SS*.  trans-97.2-5.2-179.6-61.6-177.3-176.3-178.71.4113.8P225 D229P225-R227 PolarHBondContact O-N 3.01Å; R227-D229 PolarHBondContact O-N 3.32Å
228D92.6Very high94.3Very high63 Ų6379.8 Ų79.834%0.33738%0.384SS..  trans-73110.1179.4-171.3-17.6000110.6V226 Q230 I231 R232V226-D228 HydrophobicContact CG1-CB 4.34Å; D228-Q230 PolarHBondContact O-N 2.78Å; D228-Q230 WeakPolarHBondContact OD1-CA 3.44Å; D228-Q230 WeakPolarHBondContact OD1-CB 3.05Å; D228-Q230 PolarHBondContact OD1-N 3.07Å; D228-I231 HydrophobicContact CB-CD1 3.98Å; D228-I231 HydrophobicContact CB-CG1 4.15Å; D228-I231 PolarHBondContact O-N 3.37Å; D228-R232 PolarHBondContact O-N 2.94Å
229D93.8Very high94.4Very high109 Ų10977.8 Ų77.858%0.58337%0.368SS*.Hα-helixtrans-65.5-23.7178.5-74.1-33.6000112.5R227 R232 N233R227-D229 PolarHBondContact O-N 3.32Å; D229-R232 WeakPolarHBondContact O-CB 3.46Å; D229-R232 PolarHBondContact O-N 3.25Å; D229-N233 WeakPolarHBondContact O-CB 3.22Å; D229-N233 PolarHBondContact O-N 3.22Å; D229-N233 PolarHBondContact O-ND2 3.03Å
230Q95.7Very high94.4Very high98 Ų9884.9 Ų84.946%0.45840%0.398SS..Hα-helixtrans-64-43.9175.8-171.8175.4-3.300111D228 R232 N233 R234D228-Q230 PolarHBondContact O-N 2.78Å; D228-Q230 WeakPolarHBondContact OD1-CA 3.44Å; D228-Q230 WeakPolarHBondContact OD1-CB 3.05Å; D228-Q230 PolarHBondContact OD1-N 3.07Å; Q230-R232 VanDerWaalsContact C-N 3.29Å; Q230-R232 PolarHBondContact O-N 3.05Å; Q230-N233 PolarHBondContact O-N 2.92Å; Q230-R234 WeakPolarHBondContact O-CG 3.16Å; Q230-R234 PolarHBondContact O-N 2.85Å
231I96.7Very high94.6Very high0 Ų082.1 Ų82.10%038%0.381CS..Hα-helixtrans-60.7-42.7176.6-65.8175.8000110.3I211 E214 A218 V226 D228 L235I211-I231 HydrophobicContact CG2-CG2 4.29Å; E214-I231 HydrophobicContact CB-CD1 4.14Å; E214-I231 HydrophobicContact CB-CG1 4.03Å; A218-I231 HydrophobicContact CB-CD1 3.9Å; V226-I231 HydrophobicContact CG1-CB 4.24Å; V226-I231 HydrophobicContact CG1-CD1 3.69Å; V226-I231 HydrophobicContact CG1-CG2 4.24Å; D228-I231 HydrophobicContact CB-CD1 3.98Å; D228-I231 HydrophobicContact CB-CG1 4.15Å; D228-I231 PolarHBondContact O-N 3.37Å; I231-L235 HydrophobicContact CG2-CD1 4.2Å; I231-L235 WeakPolarHBondContact O-CG 3.34Å; I231-L235 PolarHBondContact O-N 2.68Å
232R95.7Very high94.6Very high81 Ų8174.3 Ų74.331%0.30635%0.352SS..Hα-helixtrans-61.5-47.9175.6-179.4178.1-64-75.72.5111.8K180 L182 D228 D229 Q230 L235 L236K180-R232 PolarHBondContact O-NH1 3.32Å; K180-R232 PolarHBondContact O-NH2 3.1Å; L182-R232 HydrophobicContact CD1-CB 3.74Å; L182-R232 HydrophobicContact CD1-CG 4.24Å; D228-R232 PolarHBondContact O-N 2.94Å; D229-R232 WeakPolarHBondContact O-CB 3.46Å; D229-R232 PolarHBondContact O-N 3.25Å; Q230-R232 VanDerWaalsContact C-N 3.29Å; Q230-R232 PolarHBondContact O-N 3.05Å; R232-L235 PolarHBondContact O-N 3.28Å; R232-L236 HydrophobicContact CG-CD1 4.23Å; R232-L236 WeakPolarHBondContact O-CG 3.32Å; R232-L236 PolarHBondContact O-N 2.68Å
233N96.7Very high94.4Very high85 Ų8574.8 Ų74.846%0.45536%0.358SS..Hα-helixtrans-62.5-43.7-178.8-70.3-22000111.2D229 Q230 L235 L236 E237D229-N233 WeakPolarHBondContact O-CB 3.22Å; D229-N233 PolarHBondContact O-N 3.22Å; D229-N233 PolarHBondContact O-ND2 3.03Å; Q230-N233 PolarHBondContact O-N 2.92Å; N233-L235 PolarHBondContact O-N 2.88Å; N233-L236 WeakPolarHBondContact O-CB 3.46Å; N233-L236 PolarHBondContact O-N 3.44Å; N233-E237 WeakPolarHBondContact O-CG 3.37Å; N233-E237 PolarHBondContact O-N 2.89Å
234R96.7Very high94.2Very high70 Ų7074.8 Ų74.826%0.26437%0.366SS..Hα-helixtrans-61.5-42.1174.8-70.7-169.8-166.7-7113.5113I211 E214 Q230 L236 E237 V238I211-R234 HydrophobicContact CD1-CB 4.03Å; I211-R234 HydrophobicContact CG1-CB 3.98Å; E214-R234 VanDerWaalsContact CD-NE 3.3Å; E214-R234 IonicContact OE1-CZ 2.87Å; E214-R234 VanDerWaalsContact OE1-CZ 3.29Å; E214-R234 IonicContact OE1-NE 2.55Å; E214-R234 PolarHBondContact OE1-NE 2.86Å; E214-R234 IonicContact OE1-NH2 3.38Å; E214-R234 PolarHBondContact OE1-NH2 2.83Å; E214-R234 WeakPolarHBondContact OE2-CD 3.46Å; E214-R234 IonicContact OE2-NE 3.29Å; E214-R234 PolarHBondContact OE2-NE 3.34Å; Q230-R234 WeakPolarHBondContact O-CG 3.16Å; Q230-R234 PolarHBondContact O-N 2.85Å; R234-L236 VanDerWaalsContact C-N 3.29Å; R234-L236 PolarHBondContact O-N 2.83Å; R234-E237 PolarHBondContact O-N 3.39Å; R234-V238 WeakPolarHBondContact O-CB 3.23Å; R234-V238 VanDerWaalsContact O-CG2 3.3Å; R234-V238 WeakPolarHBondContact O-CG2 3.49Å; R234-V238 PolarHBondContact O-N 2.8Å
235L96.9Very high94Very high1 Ų177.7 Ų77.71%0.00538%0.38CS..Hα-helixtrans-59.9-41.1175.3-77.9167.5000111.7P178 L182 V187 Y190 I211 I231 R232 N233 A239P178-L235 HydrophobicContact CB-CB 4.03Å; P178-L235 HydrophobicContact CG-CB 4.03Å; L182-L235 HydrophobicContact CD1-CD1 4.16Å; L182-L235 HydrophobicContact CD2-CD1 3.88Å; V187-L235 HydrophobicContact CG1-CD1 4.35Å; V187-L235 HydrophobicContact CG2-CD1 4.09Å; Y190-L235 HydrophobicContact CD1-CD2 3.59Å; Y190-L235 HydrophobicContact CE1-CD2 3.93Å; I211-L235 HydrophobicContact CD1-CD2 4.14Å; I211-L235 HydrophobicContact CD1-CG 4.38Å; I211-L235 HydrophobicContact CG2-CD2 3.99Å; I211-L235 HydrophobicContact CG2-CG 4.11Å; I231-L235 HydrophobicContact CG2-CD1 4.2Å; I231-L235 WeakPolarHBondContact O-CG 3.34Å; I231-L235 PolarHBondContact O-N 2.68Å; R232-L235 PolarHBondContact O-N 3.28Å; N233-L235 PolarHBondContact O-N 2.88Å; L235-A239 WeakPolarHBondContact O-CB 3.48Å; L235-A239 PolarHBondContact O-N 2.95Å
236L95.4Very high93.7Very high82 Ų8276.6 Ų76.643%0.42937%0.369SS..Hα-helixtrans-67.8-39.9176.1-69.4170.4000112.2P178 R232 N233 R234 A239 K240P178-L236 HydrophobicContact CG-CD2 4.19Å; R232-L236 HydrophobicContact CG-CD1 4.23Å; R232-L236 WeakPolarHBondContact O-CG 3.32Å; R232-L236 PolarHBondContact O-N 2.68Å; N233-L236 WeakPolarHBondContact O-CB 3.46Å; N233-L236 PolarHBondContact O-N 3.44Å; R234-L236 VanDerWaalsContact C-N 3.29Å; R234-L236 PolarHBondContact O-N 2.83Å; L236-A239 PolarHBondContact O-N 3.13Å; L236-K240 VanDerWaalsContact O-CB 3.31Å; L236-K240 WeakPolarHBondContact O-CB 3.17Å; L236-K240 PolarHBondContact O-N 3.15Å
237E95.6Very high93.4Very high121 Ų12176.9 Ų76.957%0.56537%0.371SS*.Hα-helixtrans-61.9-47.1174.5-75172.9-176.800111.6N233 R234 K240 A241N233-E237 WeakPolarHBondContact O-CG 3.37Å; N233-E237 PolarHBondContact O-N 2.89Å; R234-E237 PolarHBondContact O-N 3.39Å; E237-K240 PolarHBondContact O-N 2.84Å; E237-A241 WeakPolarHBondContact O-CB 3.3Å; E237-A241 PolarHBondContact O-N 3.25Å
238V95.5Very high93.2Very high13 Ų1366.4 Ų66.48%0.07933%0.332CS..Hα-helixtrans-59.3-49175.3169.40000110.4W203 L204 A207 I211 R234 K240 A241 M242W203-V238 HydrophobicContact CH2-CG1 4.23Å; W203-V238 HydrophobicContact CZ3-CG1 4.16Å; W203-V238 HydrophobicContact CZ3-CG2 4.19Å; L204-V238 HydrophobicContact CD1-CG1 3.51Å; A207-V238 HydrophobicContact CB-CG2 3.99Å; I211-V238 HydrophobicContact CD1-CG2 3.8Å; R234-V238 WeakPolarHBondContact O-CB 3.23Å; R234-V238 VanDerWaalsContact O-CG2 3.3Å; R234-V238 WeakPolarHBondContact O-CG2 3.49Å; R234-V238 PolarHBondContact O-N 2.8Å; V238-K240 VanDerWaalsContact C-N 3.31Å; V238-K240 PolarHBondContact O-N 3.29Å; V238-A241 PolarHBondContact O-N 3.1Å; V238-M242 HydrophobicContact CG1-CG 4.33Å; V238-M242 HydrophobicContact CG1-SD 3.78Å; V238-M242 VanDerWaalsContact O-CG 3.23Å; V238-M242 WeakPolarHBondContact O-CG 3.5Å; V238-M242 PolarHBondContact O-N 3.29Å
239A93.9Very high93.2Very high6 Ų669.1 Ų69.15%0.0534%0.338CS..Hα-helixtrans-59.9-41.2178.600000112.1P178 Y190 L235 L236 K243P178-A239 HydrophobicContact CG-CB 3.89Å; Y190-A239 WeakPolarHBondContact OH-CB 2.85Å; L235-A239 WeakPolarHBondContact O-CB 3.48Å; L235-A239 PolarHBondContact O-N 2.95Å; L236-A239 PolarHBondContact O-N 3.13Å; A239-K243 WeakPolarHBondContact O-CG 3.38Å; A239-K243 PolarHBondContact O-N 3.01Å
240K93.3Very high93.1Very high161 Ų16165 Ų6570%0.732%0.32SS*.Hα-helixtrans-64.8-45.5175.8-176-177.6177.4-174.80111.7L236 E237 V238 K243 S244L236-K240 VanDerWaalsContact O-CB 3.31Å; L236-K240 WeakPolarHBondContact O-CB 3.17Å; L236-K240 PolarHBondContact O-N 3.15Å; E237-K240 PolarHBondContact O-N 2.84Å; V238-K240 VanDerWaalsContact C-N 3.31Å; V238-K240 PolarHBondContact O-N 3.29Å; K240-K243 PolarHBondContact O-N 3.34Å; K240-S244 PolarHBondContact O-N 3.3Å; K240-S244 VanDerWaalsContact O-N 3.14Å
241A94.1Very high92.9Very high33 Ų3363.1 Ų63.127%0.27331%0.309SS..Hα-helixtrans-62.3-43.2178.900000111.7W203 E237 V238 K243 S244 Q245W203-A241 HydrophobicContact CH2-CB 3.58Å; W203-A241 HydrophobicContact CZ2-CB 3.75Å; W203-A241 HydrophobicContact CZ3-CB 4.48Å; E237-A241 WeakPolarHBondContact O-CB 3.3Å; E237-A241 PolarHBondContact O-N 3.25Å; V238-A241 PolarHBondContact O-N 3.1Å; A241-K243 VanDerWaalsContact C-N 3.29Å; A241-K243 PolarHBondContact O-N 3.3Å; A241-S244 WeakPolarHBondContact CA-OG 3.23Å; A241-S244 PolarHBondContact O-N 3.15Å; A241-S244 VanDerWaalsContact O-N 3.1Å; A241-S244 PolarHBondContact O-OG 2.9Å; A241-Q245 PolarHBondContact O-N 2.87Å
242M92Very high92.6Very high22 Ų2263.1 Ų63.111%0.10831%0.309CS..Hα-helixtrans-61.8-34.4175.9-69174.470.500113V175 T194 W203 L204 V238 Q245 P247V175-M242 HydrophobicContact CB-CE 4.01Å; V175-M242 HydrophobicContact CG1-CE 3.95Å; V175-M242 HydrophobicContact CG1-SD 4.43Å; V175-M242 HydrophobicContact CG2-CE 3.6Å; T194-M242 HydrophobicContact CG2-CE 4Å; T194-M242 HydrophobicContact CG2-SD 4.13Å; W203-M242 HydrophobicContact CH2-CG 3.93Å; W203-M242 HydrophobicContact CZ2-CG 4.21Å; L204-M242 HydrophobicContact CD1-CE 4.45Å; L204-M242 HydrophobicContact CD1-CG 4.14Å; L204-M242 HydrophobicContact CD1-SD 3.61Å; L204-M242 HydrophobicContact CD2-CE 3.8Å; L204-M242 HydrophobicContact CD2-SD 4.06Å; V238-M242 HydrophobicContact CG1-CG 4.33Å; V238-M242 HydrophobicContact CG1-SD 3.78Å; V238-M242 VanDerWaalsContact O-CG 3.23Å; V238-M242 WeakPolarHBondContact O-CG 3.5Å; V238-M242 PolarHBondContact O-N 3.29Å; M242-Q245 CarbonylContact C-O 3.52Å; M242-Q245 WeakPolarHBondContact CA-O 3.33Å; M242-Q245 CarbonylContact O-C 3.34Å; M242-P247 HydrophobicContact CG-CG 4.26Å
243K89Confident92.2Very high138 Ų13860 Ų6060%0.630%0.298SS*.Hα-helixtrans-70.2-33.7174.4-73.3175.8-178.7-177.60112.8E177 A239 K240 A241E177-K243 IonicContact OE1-NZ 3.86Å; E177-K243 PolarHBondContact OE1-NZ 2.92Å; A239-K243 WeakPolarHBondContact O-CG 3.38Å; A239-K243 PolarHBondContact O-N 3.01Å; K240-K243 PolarHBondContact O-N 3.34Å; A241-K243 VanDerWaalsContact C-N 3.29Å; A241-K243 PolarHBondContact O-N 3.3Å
244S89.7Confident91.7Very high102 Ų10256.2 Ų56.271%0.71328%0.278SS*.Hα-helixtrans-74.4-36.3177.157.90000112.7K240 A241K240-S244 PolarHBondContact O-N 3.3Å; K240-S244 VanDerWaalsContact O-N 3.14Å; A241-S244 WeakPolarHBondContact CA-OG 3.23Å; A241-S244 PolarHBondContact O-N 3.15Å; A241-S244 VanDerWaalsContact O-N 3.1Å; A241-S244 PolarHBondContact O-OG 2.9Å
245Q89Confident91Very high136 Ų13656.6 Ų56.664%0.63629%0.292SS*.SBendtrans-148.7122.2-179.5-177.9179.712.100108.8A241 M242 P247A241-Q245 PolarHBondContact O-N 2.87Å; M242-Q245 CarbonylContact C-O 3.52Å; M242-Q245 WeakPolarHBondContact CA-O 3.33Å; M242-Q245 CarbonylContact O-C 3.34Å; Q245-P247 WeakPolarHBondContact O-CD 3.45Å
246D87.8Confident90.4Very high56 Ų5658.2 Ų58.230%0.29931%0.308SS..  trans-70.7111.4174.1-179.54.8000109.9S170 V248 R249S170-D246 WeakPolarHBondContact CB-OD2 3.47Å; D246-V248 PolarHBondContact O-N 2.97Å; D246-V248 WeakPolarHBondContact OD1-CB 3.38Å; D246-V248 PolarHBondContact OD1-N 2.95Å; D246-R249 HydrophobicContact CB-CB 4.06Å; D246-R249 PolarHBondContact O-N 3.38Å
247P89Confident89.8Confident15 Ų1560.4 Ų60.410%0.09732%0.317CS..THydrogen-bonded Turntrans-75.2-10.1-17933.4-35.2000113W203 L204 M242 Q245W203-P247 HydrophobicContact CZ2-CB 4.33Å; W203-P247 HydrophobicContact CZ2-CG 4.29Å; L204-P247 HydrophobicContact CB-CB 4.26Å; L204-P247 HydrophobicContact CB-CG 4Å; L204-P247 HydrophobicContact CD2-CG 3.76Å; L204-P247 HydrophobicContact CG-CG 4.42Å; M242-P247 HydrophobicContact CG-CG 4.26Å; Q245-P247 WeakPolarHBondContact O-CD 3.45Å
248V89.3Confident89.4Confident2 Ų261.6 Ų61.61%0.01232%0.32CS..THydrogen-bonded Turntrans-93.9-9.8179.9-179.30000111.1L158 W169 Y198 D246L158-V248 HydrophobicContact CD2-CG1 4.48Å; W169-V248 HydrophobicContact CE3-CG1 4.06Å; W169-V248 HydrophobicContact CH2-CG1 3.79Å; W169-V248 VanDerWaalsContact CH2-O 3.24Å; W169-V248 WeakPolarHBondContact CH2-O 3.22Å; W169-V248 WeakPolarHBondContact CZ2-O 3.45Å; W169-V248 HydrophobicContact CZ3-CG1 3.27Å; W169-V248 VanDerWaalsContact CZ3-O 3.28Å; W169-V248 WeakPolarHBondContact CZ3-O 3.41Å; Y198-V248 HydrophobicContact CD1-CG1 4.08Å; Y198-V248 HydrophobicContact CD2-CB 4.18Å; Y198-V248 HydrophobicContact CD2-CG1 3.61Å; Y198-V248 HydrophobicContact CD2-CG2 3.41Å; Y198-V248 VanDerWaalsContact CD2-CG2 3.41Å; Y198-V248 HydrophobicContact CE2-CG1 4.14Å; Y198-V248 HydrophobicContact CE2-CG2 3.88Å; Y198-V248 HydrophobicContact CG-CG1 3.54Å; Y198-V248 HydrophobicContact CG-CG2 4.16Å; D246-V248 PolarHBondContact O-N 2.97Å; D246-V248 WeakPolarHBondContact OD1-CB 3.38Å; D246-V248 PolarHBondContact OD1-N 2.95Å
249R91.2Very high89.1Confident121 Ų12161.3 Ų61.346%0.45732%0.319SS..  trans-70.5133.1-179.2-176.7179.6176.6171.91.2111.4E163 W169 D246E163-R249 IonicContact OE1-NH2 2.87Å; E163-R249 PolarHBondContact OE1-NH2 3.09Å; E163-R249 IonicContact OE2-CZ 3.38Å; E163-R249 IonicContact OE2-NH2 3.58Å; E163-R249 PolarHBondContact OE2-NH2 2.73Å; W169-R249 VanDerWaalsContact O-CA 3.23Å; W169-R249 WeakPolarHBondContact O-CA 3.38Å; W169-R249 WeakPolarHBondContact O-CG 3.32Å; D246-R249 HydrophobicContact CB-CB 4.06Å; D246-R249 PolarHBondContact O-N 3.38Å
250G91.6Very high89.1Confident21 Ų2164.3 Ų64.322%0.21633%0.331CS..EExtended strand (participates in β ladder)trans-163.5-174.3176.600000113.8M168 W169M168-G250 WeakPolarHBondContact CA-O 3.47Å; M168-G250 WeakPolarHBondContact CE-O 3.24Å; W169-G250 PolarHBondContact N-O 3.13Å; W169-G250 PolarHBondContact O-N 2.94Å
251R91.8Very high89.1Confident60 Ų6056.7 Ų56.723%0.22630%0.298CS..EExtended strand (participates in β ladder)trans-84.6132.3172.1-179-178-175.8-169.9-2.3110.2R42 M168 W169 D253 T279R42-R251 PolarHBondContact NH2-O 2.9Å; M168-R251 HydrophobicContact SD-CB 4.31Å; W169-R251 VanDerWaalsContact CD1-C 3.44Å; W169-R251 PolarHBondContact NE1-O 2.99Å; R251-D253 WeakPolarHBondContact CG-OD1 3.48Å; R251-D253 IonicContact CZ-OD2 3.74Å; R251-D253 PolarHBondContact NE-O 3.48Å; R251-D253 VanDerWaalsContact NE-O 3.13Å; R251-D253 IonicContact NE-OD1 3.62Å; R251-D253 PolarHBondContact NE-OD1 3.35Å; R251-D253 VanDerWaalsContact NE-OD1 3.1Å; R251-D253 IonicContact NE-OD2 3.41Å; R251-D253 PolarHBondContact NE-OD2 3.23Å; R251-D253 PolarHBondContact NH2-O 3.3Å; R251-D253 IonicContact NH2-OD2 2.68Å; R251-D253 PolarHBondContact NH2-OD2 3.12Å; R251-T279 HydrophobicContact CB-CG2 3.8Å
252W91.1Very high89.2Confident0 Ų059.4 Ų59.40%030%0.301CS..SBendtrans-85.8-52.1-177174.4-92.1000111.1L38 W41 R42 F121 V155 L158 V160 T167 W169 V254L38-W252 HydrophobicContact CD2-CH2 3.93Å; L38-W252 HydrophobicContact CD2-CZ3 4.18Å; W41-W252 HydrophobicContact CB-CH2 4.48Å; W41-W252 HydrophobicContact CB-CZ2 4.1Å; R42-W252 WeakPolarHBondContact CB-O 3.29Å; R42-W252 HydrophobicContact CG-CD2 3.72Å; R42-W252 HydrophobicContact CG-CE3 3.65Å; R42-W252 HydrophobicContact CG-CG 4.39Å; R42-W252 HydrophobicContact CG-CH2 3.83Å; R42-W252 HydrophobicContact CG-CZ2 3.89Å; R42-W252 HydrophobicContact CG-CZ3 3.71Å; R42-W252 WeakPolarHBondContact CG-O 3.35Å; R42-W252 PolarHBondContact NE-O 3.07Å; F121-W252 AromaticContact CE1-CZ2 3.81Å; F121-W252 HydrophobicContact CE1-CZ2 3.81Å; F121-W252 HydrophobicContact CZ-CH2 4.41Å; F121-W252 AromaticContact CZ-CZ2 3.71Å; F121-W252 HydrophobicContact CZ-CZ2 3.71Å; V155-W252 HydrophobicContact CB-CH2 4.25Å; V155-W252 HydrophobicContact CG1-CH2 3.71Å; V155-W252 HydrophobicContact CG1-CZ2 4.25Å; L158-W252 HydrophobicContact CD1-CZ3 3.81Å; V160-W252 HydrophobicContact CG1-CB 4.11Å; V160-W252 HydrophobicContact CG1-CD2 3.91Å; V160-W252 HydrophobicContact CG1-CE3 4.38Å; V160-W252 HydrophobicContact CG1-CG 3.76Å; V160-W252 HydrophobicContact CG2-CD2 3.92Å; V160-W252 HydrophobicContact CG2-CE3 3.61Å; V160-W252 HydrophobicContact CG2-CH2 4.37Å; V160-W252 HydrophobicContact CG2-CZ3 3.86Å; T167-W252 HydrophobicContact CG2-CB 3.74Å; T167-W252 HydrophobicContact CG2-CG 3.89Å; T167-W252 WeakPolarHBondContact O-CB 3.28Å; T167-W252 PolarHBondContact O-N 3.27Å; W169-W252 HydrophobicContact CB-CB 4.37Å; W169-W252 HydrophobicContact CB-CE3 4.01Å; W169-W252 HydrophobicContact CG-CB 4.48Å; W169-W252 HydrophobicContact CG-CE3 4.1Å; W252-V254 PolarHBondContact O-N 2.98Å
253D87.2Confident89.2Confident14 Ų1458.5 Ų58.58%0.07530%0.296CS..  trans-76.781.1-175.564.1-50.8000110.9T46 T167 R251T46-D253 HydrophobicContact CG2-CB 3.64Å; T167-D253 PolarHBondContact N-OD1 2.95Å; T167-D253 VanDerWaalsContact N-OD1 3.12Å; T167-D253 VanDerWaalsContact O-OD1 3.05Å; R251-D253 WeakPolarHBondContact CG-OD1 3.48Å; R251-D253 IonicContact CZ-OD2 3.74Å; R251-D253 PolarHBondContact NE-O 3.48Å; R251-D253 VanDerWaalsContact NE-O 3.13Å; R251-D253 IonicContact NE-OD1 3.62Å; R251-D253 PolarHBondContact NE-OD1 3.35Å; R251-D253 VanDerWaalsContact NE-OD1 3.1Å; R251-D253 IonicContact NE-OD2 3.41Å; R251-D253 PolarHBondContact NE-OD2 3.23Å; R251-D253 PolarHBondContact NH2-O 3.3Å; R251-D253 IonicContact NH2-OD2 2.68Å; R251-D253 PolarHBondContact NH2-OD2 3.12Å
254V85.9Confident89.2Confident7 Ų757.2 Ų57.24%0.04230%0.296CS..  trans-95.9115.3179.9-1750000108.9R42 W252 V276 T279 L281R42-V254 PolarHBondContact O-N 3.38Å; W252-V254 PolarHBondContact O-N 2.98Å; V254-V276 HydrophobicContact CG1-CB 3.69Å; V254-V276 HydrophobicContact CG1-CG1 3.92Å; V254-T279 HydrophobicContact CG2-CG2 3.76Å; V254-L281 HydrophobicContact CB-CD1 4.14Å; V254-L281 HydrophobicContact CG1-CD1 4.25Å; V254-L281 HydrophobicContact CG2-CD1 4.25Å
255S82.1Confident89.2Confident77 Ų7752.9 Ų52.954%0.53827%0.267SS..  trans-117.3147175.269.10000110.1D277S255-D277 WeakPolarHBondContact O-CB 3.42Å
256G83.7Confident89.2Confident35 Ų3548.9 Ų48.936%0.36125%0.254SS..  trans144.9151.3-178.300000112.8
257E83Confident89Confident129 Ų12950.9 Ų50.960%0.60328%0.278SS*.SBendtrans-105.5-13-179.6-62.6-173.9167.300113.2P315 R316E257-P315 HydrophobicContact CB-CG 4.14Å; E257-P315 WeakPolarHBondContact O-CD 3.13Å; E257-R316 PolarHBondContact O-N 3.06Å
258K87.9Confident88.8Confident146 Ų14653.8 Ų53.864%0.63529%0.292SS*.EExtended strand (participates in β ladder)trans-109.9123.8-179.6-65.4-176.7-176.9177.90109.3R316K258-R316 CarbonylContact C-O 3.51Å; K258-R316 VanDerWaalsContact CA-O 3.3Å; K258-R316 WeakPolarHBondContact CA-O 3.42Å; K258-R316 HydrophobicContact CG-CB 4.08Å
259A89.2Confident88.8Confident6 Ų654.1 Ų54.15%0.0530%0.295CS..EExtended strand (participates in β ladder)trans-104.3153.1171.300000111.3L274 E275 V276 T314 R316 F317 V318A259-L274 HydrophobicContact CB-CD1 3.64Å; A259-L274 HydrophobicContact CB-CG 4.31Å; A259-E275 CarbonylContact C-O 3.53Å; A259-E275 WeakPolarHBondContact CA-O 3.42Å; A259-V276 HydrophobicContact CB-CG2 3.83Å; A259-T314 HydrophobicContact CB-CG2 4.01Å; A259-R316 PolarHBondContact N-O 3.28Å; A259-F317 HydrophobicContact CB-CB 4.22Å; A259-F317 CarbonylContact O-C 3.59Å; A259-F317 WeakPolarHBondContact O-CA 3.48Å; A259-V318 PolarHBondContact O-N 3.22Å
260K93.4Very high88.8Confident69 Ų6948.6 Ų48.630%0.328%0.275SS..EExtended strand (participates in β ladder)trans-117.2127.7167.5-173.9-174.2-74.8171.70108.2W262 E275 V318 S320K260-W262 HydrophobicContact CD-CD2 4.02Å; K260-W262 HydrophobicContact CD-CE3 4.48Å; K260-W262 HydrophobicContact CD-CH2 3.78Å; K260-W262 HydrophobicContact CD-CZ2 3.21Å; K260-W262 HydrophobicContact CD-CZ3 4.36Å; K260-W262 HydrophobicContact CG-CD2 4.48Å; K260-W262 HydrophobicContact CG-CZ2 4.4Å; K260-E275 HydrophobicContact CB-CB 4.38Å; K260-E275 PolarHBondContact N-O 2.9Å; K260-E275 PolarHBondContact O-N 2.86Å; K260-V318 CarbonylContact C-O 3.56Å; K260-V318 VanDerWaalsContact CA-O 3.27Å; K260-V318 WeakPolarHBondContact CA-O 3.42Å; K260-S320 WeakPolarHBondContact CD-OG 3.49Å; K260-S320 WeakPolarHBondContact CG-OG 3.38Å
261V93.5Very high88.9Confident1 Ų148.8 Ų48.81%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-96.5114.8174.4-177.60000107.2V263 L274 A309 V318 S320V261-V263 HydrophobicContact CG1-CG2 3.88Å; V261-L274 HydrophobicContact CG2-CD1 3.73Å; V261-A309 HydrophobicContact CG2-CB 3.86Å; V261-V318 PolarHBondContact N-O 3.19Å; V261-S320 PolarHBondContact O-N 3.25Å; V261-S320 VanDerWaalsContact O-O 3.13Å
262W95Very high89Confident90 Ų9046.4 Ų46.434%0.34127%0.268SS..EExtended strand (participates in β ladder)trans-91.5134.7169-58.298.2000109.2K260 I272 A273 E275 S320K260-W262 HydrophobicContact CD-CD2 4.02Å; K260-W262 HydrophobicContact CD-CE3 4.48Å; K260-W262 HydrophobicContact CD-CH2 3.78Å; K260-W262 HydrophobicContact CD-CZ2 3.21Å; K260-W262 HydrophobicContact CD-CZ3 4.36Å; K260-W262 HydrophobicContact CG-CD2 4.48Å; K260-W262 HydrophobicContact CG-CZ2 4.4Å; W262-I272 CarbonylContact O-C 3.56Å; W262-I272 VanDerWaalsContact O-CA 3.25Å; W262-I272 WeakPolarHBondContact O-CA 3.17Å; W262-A273 HydrophobicContact CB-CB 4.25Å; W262-A273 PolarHBondContact N-O 3.35Å; W262-A273 PolarHBondContact O-N 3.41Å; W262-E275 WeakPolarHBondContact CZ2-OE2 3.11Å; W262-E275 PolarHBondContact NE1-OE2 3.37Å; W262-S320 WeakPolarHBondContact CA-O 3.46Å
263V92Very high89.2Confident3 Ų347.4 Ų47.42%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-135.7129.7178-176.20000107.8V261 I272 G301 L302 S320 W321V261-V263 HydrophobicContact CG1-CG2 3.88Å; V263-I272 HydrophobicContact CG2-CG2 4.39Å; V263-G301 VanDerWaalsContact CG1-C 3.47Å; V263-L302 HydrophobicContact CG2-CB 4.48Å; V263-L302 HydrophobicContact CG2-CD1 4.43Å; V263-S320 PolarHBondContact N-O 3.35Å; V263-W321 HydrophobicContact CB-CE3 4.04Å; V263-W321 HydrophobicContact CB-CZ3 3.87Å; V263-W321 HydrophobicContact CG1-CE3 4.34Å; V263-W321 HydrophobicContact CG1-CZ3 3.76Å
264D90.6Very high89.5Confident111 Ų11146.8 Ų46.859%0.59427%0.274SS*.EExtended strand (participates in β ladder)trans-136.2148.2170.9-171.722.5000109.3L270 G271D264-L270 WeakPolarHBondContact O-CA 3.31Å; D264-G271 PolarHBondContact N-O 3.09Å; D264-G271 PolarHBondContact O-N 2.99Å
265A89.5Confident89.8Confident11 Ų1148.4 Ų48.49%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-135.2147.7176.300000110.1L270 I294 A297 E298A265-L270 HydrophobicContact CB-CB 4.29Å; A265-I294 HydrophobicContact CB-CD1 3.85Å; A265-A297 HydrophobicContact CB-CB 3.82Å; A265-E298 HydrophobicContact CB-CG 3.89Å
266S87.6Confident90.2Very high53 Ų5345 Ų4537%0.37126%0.256SS..  trans-127175.1172.867.10000109.2L268 A269 H288S266-L268 PolarHBondContact O-N 2.87Å; S266-L268 PolarHBondContact OG-N 3.45Å; S266-A269 PolarHBondContact N-O 2.93Å; S266-A269 PolarHBondContact OG-N 3.41Å; S266-A269 VanDerWaalsContact OG-N 3.07Å; S266-A269 PolarHBondContact OG-O 3.19Å; S266-H288 PolarHBondContact O-NE2 3.3Å
267A84Confident90.4Very high97 Ų9748.5 Ų48.580%0.80227%0.267SS*.SBendtrans-60.7-11.4171.100000113.9
268L85.4Confident90.7Very high76 Ų7645.3 Ų45.340%0.39827%0.269SS..SBendtrans-113-35.7-174-16469.1000113.8L210 S266 H288L210-L268 HydrophobicContact CD1-CD2 4.37Å; S266-L268 PolarHBondContact O-N 2.87Å; S266-L268 PolarHBondContact OG-N 3.45Å; L268-H288 PolarHBondContact O-N 3.24Å
269A89.5Confident90.8Very high9 Ų939.3 Ų39.37%0.07424%0.244CC..EExtended strand (participates in β ladder)trans-157.1154.4-164.900000110.7T206 S266 W286 L287T206-A269 HydrophobicContact CG2-CB 4.23Å; S266-A269 PolarHBondContact N-O 2.93Å; S266-A269 PolarHBondContact OG-N 3.41Å; S266-A269 VanDerWaalsContact OG-N 3.07Å; S266-A269 PolarHBondContact OG-O 3.19Å; A269-W286 CarbonylContact C-O 3.57Å; A269-W286 WeakPolarHBondContact CA-O 3.3Å; A269-W286 WeakPolarHBondContact CB-O 3.3Å; A269-L287 HydrophobicContact CB-CD2 3.72Å
270L91.4Very high90.9Very high5 Ų541.7 Ų41.73%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-115.2146167.868.597.4000109.6D264 A265 A285 W286 D300 K304D264-L270 WeakPolarHBondContact O-CA 3.31Å; A265-L270 HydrophobicContact CB-CB 4.29Å; L270-A285 WeakPolarHBondContact O-CA 2.92Å; L270-W286 HydrophobicContact CD1-CB 4.39Å; L270-W286 HydrophobicContact CD1-CD2 4.24Å; L270-W286 HydrophobicContact CD1-CE3 3.38Å; L270-W286 HydrophobicContact CD1-CZ3 3.98Å; L270-W286 HydrophobicContact CG-CB 4.21Å; L270-W286 HydrophobicContact CG-CE3 4.34Å; L270-W286 PolarHBondContact N-O 3.14Å; L270-W286 PolarHBondContact O-N 2.85Å; L270-D300 VanDerWaalsContact CD2-OD2 3.32Å; L270-D300 WeakPolarHBondContact CD2-OD2 3.43Å; L270-K304 HydrophobicContact CD1-CD 3.8Å
271G92.9Very high90.8Very high25 Ų2538.5 Ų38.526%0.25824%0.242SC..EExtended strand (participates in β ladder)trans-132.7146.4-179.600000111.1D264 G284D264-G271 PolarHBondContact N-O 3.09Å; D264-G271 PolarHBondContact O-N 2.99Å; G271-G284 CarbonylContact C-O 3.53Å; G271-G284 WeakPolarHBondContact CA-O 3.32Å
272I94.7Very high90.7Very high10 Ų1039.6 Ų39.65%0.05125%0.247CC..EExtended strand (participates in β ladder)trans-130.4148.3172.170.8176.4000109.7W262 V263 D283 G284 W286 G301 K304 L308W262-I272 CarbonylContact O-C 3.56Å; W262-I272 VanDerWaalsContact O-CA 3.25Å; W262-I272 WeakPolarHBondContact O-CA 3.17Å; V263-I272 HydrophobicContact CG2-CG2 4.39Å; I272-D283 VanDerWaalsContact O-CA 3.26Å; I272-D283 WeakPolarHBondContact O-CA 3.42Å; I272-D283 WeakPolarHBondContact O-CB 3.44Å; I272-G284 PolarHBondContact N-O 3.35Å; I272-G284 PolarHBondContact O-N 3.1Å; I272-W286 HydrophobicContact CD1-CH2 3.67Å; I272-W286 HydrophobicContact CD1-CZ3 3.87Å; I272-W286 HydrophobicContact CG1-CH2 4.05Å; I272-W286 HydrophobicContact CG1-CZ3 3.83Å; I272-W286 HydrophobicContact CG2-CZ3 4.29Å; I272-G301 VanDerWaalsContact CG2-O 3.25Å; I272-G301 WeakPolarHBondContact CG2-O 3.43Å; I272-K304 HydrophobicContact CD1-CB 4.29Å; I272-L308 HydrophobicContact CD1-CB 4.08Å; I272-L308 HydrophobicContact CD1-CD2 3.64Å; I272-L308 HydrophobicContact CG1-CD2 4.26Å
273A94.4Very high90.7Very high22 Ų2236 Ų3618%0.18224%0.235CC..EExtended strand (participates in β ladder)trans-139.5129.6166.800000110W262 I280 D283W262-A273 HydrophobicContact CB-CB 4.25Å; W262-A273 PolarHBondContact N-O 3.35Å; W262-A273 PolarHBondContact O-N 3.41Å; A273-I280 HydrophobicContact CB-CD1 4.06Å; A273-I280 HydrophobicContact CB-CG2 4.21Å; A273-D283 HydrophobicContact CB-CB 4.45Å
274L93.3Very high90.7Very high1 Ų136.4 Ų36.41%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-96.8113.5173.7-175.871.5000108.8A259 V261 I280 L281 E282 L308 A309 T312A259-L274 HydrophobicContact CB-CD1 3.64Å; A259-L274 HydrophobicContact CB-CG 4.31Å; V261-L274 HydrophobicContact CG2-CD1 3.73Å; L274-I280 CarbonylContact O-C 3.44Å; L274-L281 HydrophobicContact CD2-CB 4.47Å; L274-L281 HydrophobicContact CD2-CD2 3.95Å; L274-L281 WeakPolarHBondContact O-CB 3.48Å; L274-L281 PolarHBondContact O-N 3.33Å; L274-E282 PolarHBondContact N-O 3Å; L274-E282 PolarHBondContact O-N 3.36Å; L274-L308 HydrophobicContact CB-CD2 4Å; L274-L308 HydrophobicContact CB-CG 4.44Å; L274-L308 HydrophobicContact CD2-CG 4.33Å; L274-A309 HydrophobicContact CD1-CB 3.78Å; L274-T312 HydrophobicContact CD2-CG2 3.61Å
275E93.1Very high90.8Very high40 Ų4032 Ų3219%0.18722%0.217CC..EExtended strand (participates in β ladder)trans-102.8138.4178.3-171.8-166133.400110.9A259 K260 W262 G278 T279 I280A259-E275 CarbonylContact C-O 3.53Å; A259-E275 WeakPolarHBondContact CA-O 3.42Å; K260-E275 HydrophobicContact CB-CB 4.38Å; K260-E275 PolarHBondContact N-O 2.9Å; K260-E275 PolarHBondContact O-N 2.86Å; W262-E275 WeakPolarHBondContact CZ2-OE2 3.11Å; W262-E275 PolarHBondContact NE1-OE2 3.37Å; E275-G278 WeakPolarHBondContact OE1-CA 3.2Å; E275-G278 PolarHBondContact OE1-N 2.98Å; E275-T279 CarbonylContact C-O 3.47Å; E275-T279 WeakPolarHBondContact CA-O 3.46Å; E275-I280 HydrophobicContact CB-CD1 3.84Å; E275-I280 HydrophobicContact CG-CD1 4.11Å
276V90.1Very high90.9Very high5 Ų536.2 Ų36.23%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-132.4125.5168.9178.10000107.5V254 A259 G278 T279 L281 T314V254-V276 HydrophobicContact CG1-CB 3.69Å; V254-V276 HydrophobicContact CG1-CG1 3.92Å; A259-V276 HydrophobicContact CB-CG2 3.83Å; V276-G278 PolarHBondContact O-N 2.89Å; V276-T279 PolarHBondContact N-O 3.26Å; V276-T279 WeakPolarHBondContact O-CB 3.43Å; V276-T279 PolarHBondContact O-N 2.93Å; V276-L281 HydrophobicContact CG2-CD2 4.35Å; V276-T314 HydrophobicContact CG2-CG2 4.3Å
277D87.4Confident91Very high110 Ų11035.6 Ų35.659%0.58822%0.224SC*.THydrogen-bonded Turntrans49.352.1178.1-165.540.9000113.5S255 T279S255-D277 WeakPolarHBondContact O-CB 3.42Å; D277-T279 PolarHBondContact O-N 3.33Å; D277-T279 VanDerWaalsContact O-N 3.17Å
278G89.6Confident91Very high62 Ų6232.8 Ų32.864%0.63919%0.194SC*.THydrogen-bonded Turntrans73.14.3179.400000115E275 V276E275-G278 WeakPolarHBondContact OE1-CA 3.2Å; E275-G278 PolarHBondContact OE1-N 2.98Å; V276-G278 PolarHBondContact O-N 2.89Å
279T90.5Very high90.4Very high20 Ų2036.4 Ų36.412%0.12321%0.213CC..EExtended strand (participates in β ladder)trans-121.2129.8-176-56.40000111.3R251 V254 E275 V276 D277 L281R251-T279 HydrophobicContact CB-CG2 3.8Å; V254-T279 HydrophobicContact CG2-CG2 3.76Å; E275-T279 CarbonylContact C-O 3.47Å; E275-T279 WeakPolarHBondContact CA-O 3.46Å; V276-T279 PolarHBondContact N-O 3.26Å; V276-T279 WeakPolarHBondContact O-CB 3.43Å; V276-T279 PolarHBondContact O-N 2.93Å; D277-T279 PolarHBondContact O-N 3.33Å; D277-T279 VanDerWaalsContact O-N 3.17Å; T279-L281 PolarHBondContact O-N 3.45Å
280I91.8Very high89.2Confident56 Ų5642.1 Ų42.129%0.28724%0.243SC..EExtended strand (participates in β ladder)trans-68.3116171.8-53.5-52.3000109.8R42 V200 A273 L274 E275R42-I280 PolarHBondContact NH2-O 2.88Å; V200-I280 HydrophobicContact CG1-CG2 4.29Å; V200-I280 HydrophobicContact CG2-CB 4.4Å; V200-I280 HydrophobicContact CG2-CG2 3.86Å; A273-I280 HydrophobicContact CB-CD1 4.06Å; A273-I280 HydrophobicContact CB-CG2 4.21Å; L274-I280 CarbonylContact O-C 3.44Å; E275-I280 HydrophobicContact CB-CD1 3.84Å; E275-I280 HydrophobicContact CG-CD1 4.11Å
281L90Very high87.6Confident1 Ų147 Ų471%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-78.4-46.8173.9-174.365.3000110.3R42 V254 L274 V276 T279 T312R42-L281 PolarHBondContact NH1-O 3.12Å; V254-L281 HydrophobicContact CB-CD1 4.14Å; V254-L281 HydrophobicContact CG1-CD1 4.25Å; V254-L281 HydrophobicContact CG2-CD1 4.25Å; L274-L281 HydrophobicContact CD2-CB 4.47Å; L274-L281 HydrophobicContact CD2-CD2 3.95Å; L274-L281 WeakPolarHBondContact O-CB 3.48Å; L274-L281 PolarHBondContact O-N 3.33Å; V276-L281 HydrophobicContact CG2-CD2 4.35Å; T279-L281 PolarHBondContact O-N 3.45Å; L281-T312 HydrophobicContact CD2-CG2 3.86Å
282E92.1Very high86.3Confident24 Ų2447.9 Ų47.911%0.11229%0.293CS..EExtended strand (participates in β ladder)trans-156.3149.1179.2178.2157.5162.300110.9R39 P199 L274 L308R39-E282 IonicContact CZ-OE1 3.78Å; R39-E282 IonicContact CZ-OE2 3.32Å; R39-E282 VanDerWaalsContact CZ-OE2 3.25Å; R39-E282 IonicContact NE-OE1 3.79Å; R39-E282 IonicContact NE-OE2 3.84Å; R39-E282 PolarHBondContact NE-OE2 3.05Å; R39-E282 IonicContact NH2-OE1 3.12Å; R39-E282 PolarHBondContact NH2-OE1 3.49Å; R39-E282 IonicContact NH2-OE2 2.85Å; R39-E282 PolarHBondContact NH2-OE2 3.05Å; P199-E282 WeakPolarHBondContact O-CA 3.28Å; P199-E282 WeakPolarHBondContact O-CG 3.47Å; L274-E282 PolarHBondContact N-O 3Å; L274-E282 PolarHBondContact O-N 3.36Å; E282-L308 HydrophobicContact CB-CD1 4.21Å; E282-L308 HydrophobicContact CB-CD2 4.06Å; E282-L308 VanDerWaalsContact CD-CD1 3.44Å; E282-L308 HydrophobicContact CG-CD1 3.82Å; E282-L308 HydrophobicContact CG-CD2 3.91Å; E282-L308 HydrophobicContact CG-CG 4.47Å; E282-L308 WeakPolarHBondContact OE1-CD1 3.31Å
283D93.9Very high85.3Confident16 Ų1654.8 Ų54.89%0.08633%0.325CS..EExtended strand (participates in β ladder)trans-127.8162.1173.965.611000112.6P199 V200 C201 G202 R205 I272 A273P199-D283 PolarHBondContact O-N 3.28Å; P199-D283 VanDerWaalsContact O-N 3.09Å; V200-D283 WeakPolarHBondContact CA-OD1 3.31Å; V200-D283 WeakPolarHBondContact CG1-OD2 3.38Å; C201-D283 PolarHBondContact N-OD1 2.91Å; C201-D283 VanDerWaalsContact N-OD1 3.13Å; C201-D283 PolarHBondContact N-OD2 2.97Å; G202-D283 VanDerWaalsContact CA-OD2 3.24Å; G202-D283 WeakPolarHBondContact CA-OD2 3.48Å; G202-D283 PolarHBondContact N-OD2 2.69Å; R205-D283 IonicContact CZ-OD1 2.74Å; R205-D283 PolarHBondContact NE-O 3.37Å; R205-D283 IonicContact NE-OD1 2.9Å; R205-D283 PolarHBondContact NE-OD1 3.23Å; R205-D283 PolarHBondContact NH2-O 2.83Å; R205-D283 IonicContact NH2-OD1 2.68Å; R205-D283 PolarHBondContact NH2-OD1 2.98Å; R205-D283 VanDerWaalsContact NH2-OD1 3.14Å; I272-D283 VanDerWaalsContact O-CA 3.26Å; I272-D283 WeakPolarHBondContact O-CA 3.42Å; I272-D283 WeakPolarHBondContact O-CB 3.44Å; A273-D283 HydrophobicContact CB-CB 4.45Å
284G93.1Very high84.7Confident10 Ų1057 Ų5710%0.10333%0.333CS..EExtended strand (participates in β ladder)trans-147.2147.8175.500000110.3G271 I272 W286G271-G284 CarbonylContact C-O 3.53Å; G271-G284 WeakPolarHBondContact CA-O 3.32Å; I272-G284 PolarHBondContact N-O 3.35Å; I272-G284 PolarHBondContact O-N 3.1Å; G284-W286 VanDerWaalsContact C-CZ3 3.48Å
285A92.9Very high84.3Confident18 Ų1862.1 Ų62.115%0.14936%0.36CS..EExtended strand (participates in β ladder)trans-144.8139.1173.800000109.9R205 T206 L270R205-A285 HydrophobicContact CB-CB 3.82Å; T206-A285 WeakPolarHBondContact OG1-CB 3.49Å; L270-A285 WeakPolarHBondContact O-CA 2.92Å
286W91.1Very high83.9Confident101 Ų10166 Ų6638%0.38338%0.379SS..EExtended strand (participates in β ladder)trans-137135.7-179.6-59.7-96.1000109.3A269 L270 I272 G284 K304A269-W286 CarbonylContact C-O 3.57Å; A269-W286 WeakPolarHBondContact CA-O 3.3Å; A269-W286 WeakPolarHBondContact CB-O 3.3Å; L270-W286 HydrophobicContact CD1-CB 4.39Å; L270-W286 HydrophobicContact CD1-CD2 4.24Å; L270-W286 HydrophobicContact CD1-CE3 3.38Å; L270-W286 HydrophobicContact CD1-CZ3 3.98Å; L270-W286 HydrophobicContact CG-CB 4.21Å; L270-W286 HydrophobicContact CG-CE3 4.34Å; L270-W286 PolarHBondContact N-O 3.14Å; L270-W286 PolarHBondContact O-N 2.85Å; I272-W286 HydrophobicContact CD1-CH2 3.67Å; I272-W286 HydrophobicContact CD1-CZ3 3.87Å; I272-W286 HydrophobicContact CG1-CH2 4.05Å; I272-W286 HydrophobicContact CG1-CZ3 3.83Å; I272-W286 HydrophobicContact CG2-CZ3 4.29Å; G284-W286 VanDerWaalsContact C-CZ3 3.48Å; W286-K304 HydrophobicContact CD2-CD 4.05Å; W286-K304 HydrophobicContact CE3-CD 3.86Å; W286-K304 HydrophobicContact CH2-CB 4.28Å; W286-K304 HydrophobicContact CH2-CD 4.09Å; W286-K304 HydrophobicContact CZ2-CD 4.32Å; W286-K304 HydrophobicContact CZ3-CB 4.36Å; W286-K304 HydrophobicContact CZ3-CD 3.86Å
287L89.6Confident83.7Confident40 Ų4066.3 Ų66.321%0.20938%0.383CS..EExtended strand (participates in β ladder)trans-78.4146.1165.8-52.3-176.4000108.5T206 A209 L210 R213 A269T206-L287 HydrophobicContact CG2-CD2 4.44Å; A209-L287 HydrophobicContact CB-CD1 4.1Å; A209-L287 HydrophobicContact CB-CD2 4.39Å; A209-L287 HydrophobicContact CB-CG 3.91Å; A209-L287 WeakPolarHBondContact O-CD1 3.48Å; L210-L287 HydrophobicContact CB-CD1 4.49Å; R213-L287 HydrophobicContact CB-CD1 3.9Å; A269-L287 HydrophobicContact CB-CD2 3.72Å
288H83.6Confident83.7Confident37 Ų3763.9 Ų63.917%0.17137%0.368CS..  trans-123.5152.7169.866.473.8000108.9S266 L268 D290S266-H288 PolarHBondContact O-NE2 3.3Å; L268-H288 PolarHBondContact O-N 3.24Å; H288-D290 PolarHBondContact CE1-O 3.14Å; H288-D290 PolarHBondContact ND1-O 3.39Å
289D72.8Confident83.6Confident152 Ų15265 Ų6581%0.81336%0.359SS*.  trans-93.5-20.2-178.7-66.4-34.6000111.8
290D65.5Low83.6Confident130 Ų13067.2 Ų67.270%0.69537%0.37SS*.  trans-84.5121.8-171.9-99.2-31.6000111.7H288 G292H288-D290 PolarHBondContact CE1-O 3.14Å; H288-D290 PolarHBondContact ND1-O 3.39Å; D290-G292 PolarHBondContact O-N 3.4Å
291A57.7Low83.4Confident106 Ų10664.6 Ų64.688%0.87636%0.357SS*.  trans-68.927.3159.300000112.2
292G64.9Low83.4Confident44 Ų4466 Ų6645%0.45436%0.364SS..  trans-54.5157.4172.400000110.2D290 I294D290-G292 PolarHBondContact O-N 3.4Å; G292-I294 PolarHBondContact O-N 2.84Å
293H73.8Confident83.3Confident155 Ų15568 Ų6872%0.71838%0.378SS*.  trans-51.8131.6177.3-77.1-74.4000109.9N295 M296H293-N295 PolarHBondContact O-N 3.21Å; H293-M296 WeakPolarHBondContact O-CB 3.47Å; H293-M296 PolarHBondContact O-N 3.13Å
294I82.2Confident83.2Confident70 Ų7070.2 Ų70.236%0.35939%0.387SS..Hα-helixtrans-47-36.3-177.9-170.461.9000112.5A265 G292 M296 A297 E298A265-I294 HydrophobicContact CB-CD1 3.85Å; G292-I294 PolarHBondContact O-N 2.84Å; I294-M296 VanDerWaalsContact C-N 3.25Å; I294-M296 PolarHBondContact O-N 2.99Å; I294-A297 WeakPolarHBondContact O-CB 3.36Å; I294-A297 PolarHBondContact O-N 3.3Å; I294-E298 HydrophobicContact CG1-CG 4.49Å; I294-E298 WeakPolarHBondContact O-CG 3.23Å; I294-E298 PolarHBondContact O-N 3.37Å
295N83.9Confident83.1Confident107 Ų10769.8 Ų69.857%0.57238%0.383SS*.Hα-helixtrans-54.4-34.3174.9-56.73.2000114.1H293 L299H293-N295 PolarHBondContact O-N 3.21Å; N295-L299 WeakPolarHBondContact O-CB 3.47Å; N295-L299 PolarHBondContact O-N 3.05Å
296M85.8Confident83Confident121 Ų12171.2 Ų71.260%0.59639%0.387SS*.Hα-helixtrans-74.3-38.2176.9-70.8-57.2-56.800111.8H293 I294 L299 D300H293-M296 WeakPolarHBondContact O-CB 3.47Å; H293-M296 PolarHBondContact O-N 3.13Å; I294-M296 VanDerWaalsContact C-N 3.25Å; I294-M296 PolarHBondContact O-N 2.99Å; M296-L299 HydrophobicContact CE-CD2 4.46Å; M296-L299 PolarHBondContact O-N 2.86Å; M296-D300 PolarHBondContact O-N 3.48Å
297A85.6Confident82.9Confident13 Ų1370.9 Ų70.911%0.10739%0.393CS..Hα-helixtrans-67.4-39.5174.800000111A265 I294 D300 G301A265-A297 HydrophobicContact CB-CB 3.82Å; I294-A297 WeakPolarHBondContact O-CB 3.36Å; I294-A297 PolarHBondContact O-N 3.3Å; A297-D300 PolarHBondContact O-N 3.23Å; A297-G301 PolarHBondContact O-N 2.94Å
298E86.6Confident82.8Confident59 Ų5969.8 Ų69.828%0.27639%0.387SS..Hα-helixtrans-59.6-45170.9-75.7176.5172.200111.7A265 I294 G301 L302 W321A265-E298 HydrophobicContact CB-CG 3.89Å; I294-E298 HydrophobicContact CG1-CG 4.49Å; I294-E298 WeakPolarHBondContact O-CG 3.23Å; I294-E298 PolarHBondContact O-N 3.37Å; E298-G301 PolarHBondContact O-N 3.27Å; E298-L302 WeakPolarHBondContact O-CB 3.34Å; E298-L302 PolarHBondContact O-N 3Å; E298-W321 HydrophobicContact CB-CE3 4.5Å; E298-W321 HydrophobicContact CB-CH2 3.95Å; E298-W321 HydrophobicContact CB-CZ3 3.57Å; E298-W321 HydrophobicContact CG-CZ3 4.04Å
299L88.8Confident83Confident86 Ų8668 Ų6845%0.4538%0.379SS..Hα-helixtrans-65.7-38.8177.3-177.562.3000112.8N295 M296 L302 T303N295-L299 WeakPolarHBondContact O-CB 3.47Å; N295-L299 PolarHBondContact O-N 3.05Å; M296-L299 HydrophobicContact CE-CD2 4.46Å; M296-L299 PolarHBondContact O-N 2.86Å; L299-L302 HydrophobicContact CD1-CD2 4.45Å; L299-L302 WeakPolarHBondContact O-CB 3.49Å; L299-L302 PolarHBondContact O-N 3.28Å; L299-T303 PolarHBondContact O-N 3.07Å; L299-T303 PolarHBondContact O-OG1 2.9Å
300D89.1Confident83.6Confident66 Ų6665.9 Ų65.935%0.35337%0.367SS..Hα-helixtrans-66-44.2174.1-176.945000111.1L270 M296 A297 L302 T303 K304L270-D300 VanDerWaalsContact CD2-OD2 3.32Å; L270-D300 WeakPolarHBondContact CD2-OD2 3.43Å; M296-D300 PolarHBondContact O-N 3.48Å; A297-D300 PolarHBondContact O-N 3.23Å; D300-L302 VanDerWaalsContact C-N 3.3Å; D300-L302 PolarHBondContact O-N 3.41Å; D300-T303 PolarHBondContact O-N 2.77Å; D300-T303 VanDerWaalsContact O-N 3.16Å; D300-K304 WeakPolarHBondContact O-CG 3.44Å; D300-K304 PolarHBondContact O-N 2.87Å; D300-K304 WeakPolarHBondContact OD1-CE 3.34Å; D300-K304 WeakPolarHBondContact OD2-CE 3.36Å; D300-K304 IonicContact OD2-NZ 2.91Å
301G89.1Confident84.3Confident0 Ų061.7 Ų61.70%035%0.348CS..Hα-helixtrans-56.1-44.3171.700000112.2V263 I272 A297 E298 T303 K304 G305V263-G301 VanDerWaalsContact CG1-C 3.47Å; I272-G301 VanDerWaalsContact CG2-O 3.25Å; I272-G301 WeakPolarHBondContact CG2-O 3.43Å; A297-G301 PolarHBondContact O-N 2.94Å; E298-G301 PolarHBondContact O-N 3.27Å; G301-T303 PolarHBondContact O-N 2.91Å; G301-K304 PolarHBondContact O-N 2.87Å; G301-G305 PolarHBondContact O-N 3.27Å
302L89.4Confident85.1Confident31 Ų3156.9 Ų56.916%0.16231%0.308CS..Hα-helixtrans-60.3-46.9174.9178.360000112V263 E298 L299 D300 K304 G305 L306 V319 W321V263-L302 HydrophobicContact CG2-CB 4.48Å; V263-L302 HydrophobicContact CG2-CD1 4.43Å; E298-L302 WeakPolarHBondContact O-CB 3.34Å; E298-L302 PolarHBondContact O-N 3Å; L299-L302 HydrophobicContact CD1-CD2 4.45Å; L299-L302 WeakPolarHBondContact O-CB 3.49Å; L299-L302 PolarHBondContact O-N 3.28Å; D300-L302 VanDerWaalsContact C-N 3.3Å; D300-L302 PolarHBondContact O-N 3.41Å; L302-K304 VanDerWaalsContact C-N 3.34Å; L302-K304 PolarHBondContact O-N 3.2Å; L302-G305 PolarHBondContact O-N 2.95Å; L302-L306 HydrophobicContact CD1-CD1 4.08Å; L302-L306 HydrophobicContact CD1-CD2 4.5Å; L302-L306 HydrophobicContact CD1-CG 3.99Å; L302-L306 HydrophobicContact CG-CD1 4.01Å; L302-L306 HydrophobicContact CG-CG 4.35Å; L302-L306 WeakPolarHBondContact O-CB 3.41Å; L302-L306 VanDerWaalsContact O-CG 3.26Å; L302-L306 WeakPolarHBondContact O-CG 3.14Å; L302-L306 PolarHBondContact O-N 2.86Å; L302-V319 HydrophobicContact CD1-CB 4.16Å; L302-V319 HydrophobicContact CD1-CG1 3.41Å; L302-V319 VanDerWaalsContact CD1-CG1 3.41Å; L302-V319 HydrophobicContact CD1-CG2 3.62Å; L302-W321 HydrophobicContact CB-CH2 3.95Å; L302-W321 HydrophobicContact CD2-CH2 4.23Å; L302-W321 HydrophobicContact CD2-CZ2 4.05Å
303T90.9Very high85.2Confident67 Ų6761.4 Ų61.441%0.41132%0.319SS..Hα-helixtrans-60.7-44.4179.1-580000111.2L299 D300 G301 L306 N307L299-T303 PolarHBondContact O-N 3.07Å; L299-T303 PolarHBondContact O-OG1 2.9Å; D300-T303 PolarHBondContact O-N 2.77Å; D300-T303 VanDerWaalsContact O-N 3.16Å; G301-T303 PolarHBondContact O-N 2.91Å; T303-L306 PolarHBondContact O-N 3.42Å; T303-N307 WeakPolarHBondContact O-CB 3.37Å; T303-N307 VanDerWaalsContact O-CG 3.29Å; T303-N307 PolarHBondContact O-N 3.04Å; T303-N307 PolarHBondContact O-ND2 2.91Å; T303-N307 VanDerWaalsContact O-ND2 3.11Å
304K91.7Very high84.7Confident62 Ų6254.4 Ų54.427%0.2729%0.287SS..Hα-helixtrans-64.2-42.6175.2-69171.9-167.4-77.40112L270 I272 W286 D300 G301 L302 N307 L308L270-K304 HydrophobicContact CD1-CD 3.8Å; I272-K304 HydrophobicContact CD1-CB 4.29Å; W286-K304 HydrophobicContact CD2-CD 4.05Å; W286-K304 HydrophobicContact CE3-CD 3.86Å; W286-K304 HydrophobicContact CH2-CB 4.28Å; W286-K304 HydrophobicContact CH2-CD 4.09Å; W286-K304 HydrophobicContact CZ2-CD 4.32Å; W286-K304 HydrophobicContact CZ3-CB 4.36Å; W286-K304 HydrophobicContact CZ3-CD 3.86Å; D300-K304 WeakPolarHBondContact O-CG 3.44Å; D300-K304 PolarHBondContact O-N 2.87Å; D300-K304 WeakPolarHBondContact OD1-CE 3.34Å; D300-K304 WeakPolarHBondContact OD2-CE 3.36Å; D300-K304 IonicContact OD2-NZ 2.91Å; G301-K304 PolarHBondContact O-N 2.87Å; L302-K304 VanDerWaalsContact C-N 3.34Å; L302-K304 PolarHBondContact O-N 3.2Å; K304-N307 PolarHBondContact O-N 3.18Å; K304-L308 WeakPolarHBondContact O-CB 3.35Å; K304-L308 PolarHBondContact O-N 2.89Å
305G90.7Very high83.6Confident1 Ų155.3 Ų55.31%0.0130%0.298CS..Hα-helixtrans-61.3-44.1176.900000113G301 L302 L308 A309G301-G305 PolarHBondContact O-N 3.27Å; L302-G305 PolarHBondContact O-N 2.95Å; G305-L308 WeakPolarHBondContact O-CB 3.43Å; G305-L308 PolarHBondContact O-N 3.29Å; G305-A309 PolarHBondContact O-N 2.95Å
306L89.9Confident83.1Confident47 Ų4757.6 Ų57.625%0.24630%0.298CS..Hα-helixtrans-64.7-44.6175.2-70.3175000111.6L302 T303 L308 A309 L310 F317 V319L302-L306 HydrophobicContact CD1-CD1 4.08Å; L302-L306 HydrophobicContact CD1-CD2 4.5Å; L302-L306 HydrophobicContact CD1-CG 3.99Å; L302-L306 HydrophobicContact CG-CD1 4.01Å; L302-L306 HydrophobicContact CG-CG 4.35Å; L302-L306 WeakPolarHBondContact O-CB 3.41Å; L302-L306 VanDerWaalsContact O-CG 3.26Å; L302-L306 WeakPolarHBondContact O-CG 3.14Å; L302-L306 PolarHBondContact O-N 2.86Å; T303-L306 PolarHBondContact O-N 3.42Å; L306-L308 VanDerWaalsContact C-N 3.28Å; L306-L308 PolarHBondContact O-N 3.43Å; L306-A309 PolarHBondContact O-N 2.55Å; L306-L310 VanDerWaalsContact O-CG 3.3Å; L306-L310 WeakPolarHBondContact O-CG 3.39Å; L306-L310 PolarHBondContact O-N 3.02Å; L306-F317 HydrophobicContact CD2-CD2 3.81Å; L306-F317 HydrophobicContact CD2-CE2 3.3Å; L306-F317 HydrophobicContact CD2-CZ 4.06Å; L306-V319 HydrophobicContact CD2-CG2 4.07Å
307N89.2Confident82.8Confident95 Ų9555.6 Ų55.651%0.50829%0.286SS..Hα-helixtrans-60.2-40.4175.2-76.1-34000111.8T303 K304 S311T303-N307 WeakPolarHBondContact O-CB 3.37Å; T303-N307 VanDerWaalsContact O-CG 3.29Å; T303-N307 PolarHBondContact O-N 3.04Å; T303-N307 PolarHBondContact O-ND2 2.91Å; T303-N307 VanDerWaalsContact O-ND2 3.11Å; K304-N307 PolarHBondContact O-N 3.18Å; N307-S311 WeakPolarHBondContact O-CB 3.39Å; N307-S311 PolarHBondContact O-N 3.45Å
308L88.3Confident82.5Confident16 Ų1659.5 Ų59.58%0.08431%0.309CS..Hα-helixtrans-61.9-49.3174.4178.661.8000111.1I272 L274 E282 K304 G305 L306 L310 S311 T312I272-L308 HydrophobicContact CD1-CB 4.08Å; I272-L308 HydrophobicContact CD1-CD2 3.64Å; I272-L308 HydrophobicContact CG1-CD2 4.26Å; L274-L308 HydrophobicContact CB-CD2 4Å; L274-L308 HydrophobicContact CB-CG 4.44Å; L274-L308 HydrophobicContact CD2-CG 4.33Å; E282-L308 HydrophobicContact CB-CD1 4.21Å; E282-L308 HydrophobicContact CB-CD2 4.06Å; E282-L308 VanDerWaalsContact CD-CD1 3.44Å; E282-L308 HydrophobicContact CG-CD1 3.82Å; E282-L308 HydrophobicContact CG-CD2 3.91Å; E282-L308 HydrophobicContact CG-CG 4.47Å; E282-L308 WeakPolarHBondContact OE1-CD1 3.31Å; K304-L308 WeakPolarHBondContact O-CB 3.35Å; K304-L308 PolarHBondContact O-N 2.89Å; G305-L308 WeakPolarHBondContact O-CB 3.43Å; G305-L308 PolarHBondContact O-N 3.29Å; L306-L308 VanDerWaalsContact C-N 3.28Å; L306-L308 PolarHBondContact O-N 3.43Å; L308-L310 PolarHBondContact O-N 3.37Å; L308-S311 PolarHBondContact O-N 3.4Å; L308-S311 PolarHBondContact O-OG 2.97Å; L308-T312 WeakPolarHBondContact O-CG2 3.43Å; L308-T312 PolarHBondContact O-N 3.41Å
309A86.6Confident82Confident0 Ų059.1 Ų59.10%031%0.31CS..Hα-helixtrans-56.7-48.5177.300000112V261 L274 G305 L306 S311 T312 T314 F317V261-A309 HydrophobicContact CG2-CB 3.86Å; L274-A309 HydrophobicContact CD1-CB 3.78Å; G305-A309 PolarHBondContact O-N 2.95Å; L306-A309 PolarHBondContact O-N 2.55Å; A309-S311 VanDerWaalsContact C-N 3.31Å; A309-S311 PolarHBondContact O-N 3.05Å; A309-T312 PolarHBondContact O-N 2.84Å; A309-T312 VanDerWaalsContact O-N 3.07Å; A309-T312 PolarHBondContact O-OG1 3.19Å; A309-T314 PolarHBondContact O-OG1 3.25Å; A309-F317 HydrophobicContact CB-CD1 4.26Å; A309-F317 HydrophobicContact CB-CG 4.35Å
310L85.7Confident81.4Confident107 Ų10756.2 Ų56.256%0.5630%0.297SS*.Hα-helixtrans-58.9-42.2177.1-69.8171000112L306 L308 T312 M313 F317L306-L310 VanDerWaalsContact O-CG 3.3Å; L306-L310 WeakPolarHBondContact O-CG 3.39Å; L306-L310 PolarHBondContact O-N 3.02Å; L308-L310 PolarHBondContact O-N 3.37Å; L310-T312 PolarHBondContact O-N 2.85Å; L310-M313 PolarHBondContact O-N 3.49Å; L310-M313 VanDerWaalsContact O-N 3.09Å; L310-F317 HydrophobicContact CD2-CE1 4.11Å
311S81.1Confident80.4Confident42 Ų4261.4 Ų61.429%0.29431%0.312SS..Hα-helixtrans-66.1-19.1178.7800000114R39 N307 L308 A309 M313R39-S311 PolarHBondContact NH1-OG 3.45Å; R39-S311 VanDerWaalsContact NH1-OG 3.17Å; N307-S311 WeakPolarHBondContact O-CB 3.39Å; N307-S311 PolarHBondContact O-N 3.45Å; L308-S311 PolarHBondContact O-N 3.4Å; L308-S311 PolarHBondContact O-OG 2.97Å; A309-S311 VanDerWaalsContact C-N 3.31Å; A309-S311 PolarHBondContact O-N 3.05Å; S311-M313 VanDerWaalsContact C-N 3.35Å
312T73.7Confident80Confident6 Ų664.5 Ų64.54%0.03733%0.327CS..THydrogen-bonded Turntrans-88.6-3.2176.863.70000113.2R39 R43 L274 L281 L308 A309 L310 T314R39-T312 HydrophobicContact CG-CG2 4.12Å; R43-T312 PolarHBondContact NH1-O 3.31Å; L274-T312 HydrophobicContact CD2-CG2 3.61Å; L281-T312 HydrophobicContact CD2-CG2 3.86Å; L308-T312 WeakPolarHBondContact O-CG2 3.43Å; L308-T312 PolarHBondContact O-N 3.41Å; A309-T312 PolarHBondContact O-N 2.84Å; A309-T312 VanDerWaalsContact O-N 3.07Å; A309-T312 PolarHBondContact O-OG1 3.19Å; L310-T312 PolarHBondContact O-N 2.85Å; T312-T314 VanDerWaalsContact C-N 3.27Å; T312-T314 PolarHBondContact O-N 3.32Å; T312-T314 WeakPolarHBondContact OG1-CG2 3.16Å; T312-T314 PolarHBondContact OG1-OG1 2.87Å
313M66.7Low79.5Confident139 Ų13966.2 Ų66.269%0.68534%0.336SS*.THydrogen-bonded Turntrans53.142.4-174.7-55.2-178.1-174.200112.4R43 L310 S311 P315R43-M313 PolarHBondContact NH1-O 3.4Å; L310-M313 PolarHBondContact O-N 3.49Å; L310-M313 VanDerWaalsContact O-N 3.09Å; S311-M313 VanDerWaalsContact C-N 3.35Å; M313-P315 WeakPolarHBondContact O-CD 3.48Å
314T63.8Low78.9Confident8 Ų866.2 Ų66.25%0.04933%0.332CS..  trans-84.3115.9171.343.10000108.7A259 V276 A309 T312 R316A259-T314 HydrophobicContact CB-CG2 4.01Å; V276-T314 HydrophobicContact CG2-CG2 4.3Å; A309-T314 PolarHBondContact O-OG1 3.25Å; T312-T314 VanDerWaalsContact C-N 3.27Å; T312-T314 PolarHBondContact O-N 3.32Å; T312-T314 WeakPolarHBondContact OG1-CG2 3.16Å; T312-T314 PolarHBondContact OG1-OG1 2.87Å; T314-R316 VanDerWaalsContact C-N 3.25Å; T314-R316 PolarHBondContact O-N 3.34Å
315P60.3Low78.1Confident89 Ų8966.4 Ų66.458%0.57834%0.335SS*.SBendtrans-70.5-20.4-168.424.3-32.7000113.6E257 M313E257-P315 HydrophobicContact CB-CG 4.14Å; E257-P315 WeakPolarHBondContact O-CD 3.13Å; M313-P315 WeakPolarHBondContact O-CD 3.48Å
316R73Confident77.3Confident154 Ų15470.5 Ų70.558%0.58136%0.356SS*.EExtended strand (participates in β ladder)trans-136.1133179.3-66.1178178.6160.7-3.9109.1E257 K258 A259 T314E257-R316 PolarHBondContact O-N 3.06Å; K258-R316 CarbonylContact C-O 3.51Å; K258-R316 VanDerWaalsContact CA-O 3.3Å; K258-R316 WeakPolarHBondContact CA-O 3.42Å; K258-R316 HydrophobicContact CG-CB 4.08Å; A259-R316 PolarHBondContact N-O 3.28Å; T314-R316 VanDerWaalsContact C-N 3.25Å; T314-R316 PolarHBondContact O-N 3.34Å
317F78.3Confident76.5Confident80 Ų8072.1 Ų72.135%0.35136%0.363SS..EExtended strand (participates in β ladder)trans-139.3151.4172.753.1-94.8000112.3A259 L306 A309 L310A259-F317 HydrophobicContact CB-CB 4.22Å; A259-F317 CarbonylContact O-C 3.59Å; A259-F317 WeakPolarHBondContact O-CA 3.48Å; L306-F317 HydrophobicContact CD2-CD2 3.81Å; L306-F317 HydrophobicContact CD2-CE2 3.3Å; L306-F317 HydrophobicContact CD2-CZ 4.06Å; A309-F317 HydrophobicContact CB-CD1 4.26Å; A309-F317 HydrophobicContact CB-CG 4.35Å; L310-F317 HydrophobicContact CD2-CE1 4.11Å
318V79.1Confident75.6Confident95 Ų9570.4 Ų70.458%0.57635%0.353SS*.EExtended strand (participates in β ladder)trans-120.7139.9172.6179.10000107.6A259 K260 V261A259-V318 PolarHBondContact O-N 3.22Å; K260-V318 CarbonylContact C-O 3.56Å; K260-V318 VanDerWaalsContact CA-O 3.27Å; K260-V318 WeakPolarHBondContact CA-O 3.42Å; V261-V318 PolarHBondContact N-O 3.19Å
319V76.5Confident74.6Confident50 Ų5074.6 Ų74.630%0.30337%0.373SS..EExtended strand (participates in β ladder)trans-91.7136.1175.2177.30000108.1L302 L306L302-V319 HydrophobicContact CD1-CB 4.16Å; L302-V319 HydrophobicContact CD1-CG1 3.41Å; L302-V319 VanDerWaalsContact CD1-CG1 3.41Å; L302-V319 HydrophobicContact CD1-CG2 3.62Å; L306-V319 HydrophobicContact CD2-CG2 4.07Å
320S75.4Confident73.6Confident26 Ų2680.8 Ų80.818%0.18241%0.405CS..EExtended strand (participates in β ladder)trans-133.3134.7174.5-61.60000109K260 V261 W262 V263K260-S320 WeakPolarHBondContact CD-OG 3.49Å; K260-S320 WeakPolarHBondContact CG-OG 3.38Å; V261-S320 PolarHBondContact O-N 3.25Å; V261-S320 VanDerWaalsContact O-O 3.13Å; W262-S320 WeakPolarHBondContact CA-O 3.46Å; V263-S320 PolarHBondContact N-O 3.35Å
321W69.8Low72.5Confident174 Ų17478.5 Ų78.566%0.65939%0.39SS*.  trans-96.80172.7-53.698.3000107.9V263 E298 L302V263-W321 HydrophobicContact CB-CE3 4.04Å; V263-W321 HydrophobicContact CB-CZ3 3.87Å; V263-W321 HydrophobicContact CG1-CE3 4.34Å; V263-W321 HydrophobicContact CG1-CZ3 3.76Å; E298-W321 HydrophobicContact CB-CE3 4.5Å; E298-W321 HydrophobicContact CB-CH2 3.95Å; E298-W321 HydrophobicContact CB-CZ3 3.57Å; E298-W321 HydrophobicContact CG-CZ3 4.04Å; L302-W321 HydrophobicContact CB-CH2 3.95Å; L302-W321 HydrophobicContact CD2-CH2 4.23Å; L302-W321 HydrophobicContact CD2-CZ2 4.05Å

Retrieved 321 of 321 residues in 252.5 ms (Link to these results)

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