A0A077ZIY2_TRITR Loading...

ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIY2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 250 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
1M71.4Confident94.1Very high183 Ų18358.5 Ų58.590%0.90128%0.28SS*.  0-172.20-59.5166.6-16800107.7E33M1-E33 WeakPolarHBondContact CA-OE1 3.43Å; M1-E33 HydrophobicContact CB-CB 4.27Å; M1-E33 HydrophobicContact CB-CG 4.38Å; M1-E33 WeakPolarHBondContact CB-OE1 3.3Å; M1-E33 PolarHBondContact N-OE1 3.44Å; M1-E33 VanDerWaalsContact SD-OE2 3.34Å
2E91Very high94.3Very high89 Ų8955.2 Ų55.242%0.41626%0.264SS..  trans-74.4123.9175.5-177.6-177.5-170.500109.8E33 K34E2-E33 WeakPolarHBondContact O-CA 3.04Å; E2-K34 HydrophobicContact CB-CB 4.37Å; E2-K34 PolarHBondContact O-N 2.59Å; E2-K34 WeakPolarHBondContact OE2-CD 3.34Å; E2-K34 IonicContact OE2-NZ 2.71Å; E2-K34 PolarHBondContact OE2-NZ 3.25Å
3K94.2Very high94.4Very high108 Ų10854.2 Ų54.247%0.4726%0.263SS..EExtended strand (participates in β ladder)trans-82.9116.9176.5-62.3175.6-178.7-1720109.6E31K3-E31 VanDerWaalsContact CD-CD 3.5Å; K3-E31 HydrophobicContact CD-CG 4.44Å; K3-E31 WeakPolarHBondContact CD-OE1 3.22Å; K3-E31 WeakPolarHBondContact CD-OE2 3.47Å; K3-E31 VanDerWaalsContact CE-CD 3.49Å; K3-E31 WeakPolarHBondContact CE-OE1 3.49Å; K3-E31 WeakPolarHBondContact CE-OE2 3.29Å; K3-E31 IonicContact NZ-OE1 3.12Å; K3-E31 PolarHBondContact NZ-OE1 2.89Å; K3-E31 IonicContact NZ-OE2 2.98Å; K3-E31 PolarHBondContact NZ-OE2 3.01Å
4I96.4Very high94.3Very high9 Ų956.2 Ų56.25%0.04627%0.268CS..EExtended strand (participates in β ladder)trans-97.7-25.1-179.857.6144.6000112.9V32 K34 I68 N69 T165 I166 S198I4-V32 HydrophobicContact CD1-CG1 4.41Å; I4-V32 HydrophobicContact CG1-CB 4.5Å; I4-V32 HydrophobicContact CG1-CG1 4.43Å; I4-V32 VanDerWaalsContact CG1-O 3.3Å; I4-V32 WeakPolarHBondContact CG1-O 3.13Å; I4-V32 PolarHBondContact N-O 3.29Å; I4-K34 HydrophobicContact CG2-CB 3.79Å; I4-K34 HydrophobicContact CG2-CG 4.21Å; I4-I68 CarbonylContact O-C 3.51Å; I4-I68 VanDerWaalsContact O-CA 3.27Å; I4-I68 WeakPolarHBondContact O-CA 3.35Å; I4-N69 PolarHBondContact O-N 2.82Å; I4-T165 HydrophobicContact CB-CG2 3.76Å; I4-T165 HydrophobicContact CD1-CG2 3.85Å; I4-T165 WeakPolarHBondContact CD1-O 3.08Å; I4-T165 HydrophobicContact CG1-CG2 4.43Å; I4-T165 HydrophobicContact CG2-CG2 4.23Å; I4-I166 HydrophobicContact CD1-CB 4.27Å; I4-I166 HydrophobicContact CD1-CD1 4.43Å; I4-S198 WeakPolarHBondContact CD1-OG 2.99Å
5V97.4Very high93.7Very high2 Ų254.9 Ų54.91%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-129.4136.9173.8-177.70000108.4V7 E31 V32 L55 Q67 I68 I166V5-V7 HydrophobicContact CG1-CG2 4.13Å; V5-E31 CarbonylContact O-C 3.49Å; V5-E31 VanDerWaalsContact O-CA 3.23Å; V5-E31 WeakPolarHBondContact O-CA 3.31Å; V5-V32 HydrophobicContact CB-CB 3.9Å; V5-V32 HydrophobicContact CB-CG2 4.07Å; V5-V32 HydrophobicContact CG2-CB 4.25Å; V5-V32 PolarHBondContact N-O 2.89Å; V5-V32 PolarHBondContact O-N 3.17Å; V5-L55 HydrophobicContact CG1-CD2 3.84Å; V5-Q67 CarbonylContact C-O 3.55Å; V5-Q67 VanDerWaalsContact CA-O 3.3Å; V5-Q67 WeakPolarHBondContact CA-O 3.35Å; V5-I68 HydrophobicContact CG1-CG1 4.27Å; V5-I68 HydrophobicContact CG2-CG1 4.24Å; V5-I68 HydrophobicContact CG2-CG2 4.43Å; V5-I166 HydrophobicContact CG2-CD1 3.74Å
6S97.5Very high92.8Very high17 Ų1762.6 Ų62.612%0.11931%0.306CS..EExtended strand (participates in β ladder)trans-137.2122.2172.1-179.80000109.1N8 I66 Q67S6-N8 PolarHBondContact OG-ND2 2.81Å; S6-I66 CarbonylContact O-C 3.55Å; S6-I66 WeakPolarHBondContact O-CA 3.21Å; S6-Q67 PolarHBondContact N-O 3.46Å; S6-Q67 PolarHBondContact O-N 2.94Å
7V97.7Very high92Very high0 Ų062.9 Ų62.90%033%0.329CS..EExtended strand (participates in β ladder)trans-114.4121.8177.4-176.80000106.2V5 V10 I28 S29 F30 L55V5-V7 HydrophobicContact CG1-CG2 4.13Å; V7-V10 HydrophobicContact CG1-CB 3.7Å; V7-V10 HydrophobicContact CG1-CG2 3.45Å; V7-V10 VanDerWaalsContact CG1-CG2 3.45Å; V7-I28 HydrophobicContact CG1-CG2 4.31Å; V7-I28 WeakPolarHBondContact CG1-O 3.3Å; V7-S29 CarbonylContact O-C 3.54Å; V7-S29 WeakPolarHBondContact O-CA 2.9Å; V7-F30 HydrophobicContact CB-CD1 3.83Å; V7-F30 HydrophobicContact CB-CE1 3.76Å; V7-F30 HydrophobicContact CB-CG 4.47Å; V7-F30 HydrophobicContact CB-CZ 4.35Å; V7-F30 WeakPolarHBondContact CB-O 3.42Å; V7-F30 HydrophobicContact CG1-CD1 4.19Å; V7-F30 HydrophobicContact CG1-CE1 3.96Å; V7-F30 HydrophobicContact CG2-CD1 4.06Å; V7-F30 HydrophobicContact CG2-CE1 3.54Å; V7-F30 HydrophobicContact CG2-CE2 4.25Å; V7-F30 HydrophobicContact CG2-CZ 3.66Å; V7-F30 PolarHBondContact N-O 3.33Å; V7-F30 PolarHBondContact O-N 2.88Å; V7-L55 HydrophobicContact CG2-CD2 3.75Å
8N97.3Very high91.1Very high62 Ų6269.4 Ų69.433%0.33236%0.364SS..EExtended strand (participates in β ladder)trans-129.7115.5-175.4-59.1-80.7000110.1S6 V10 G64 K65S6-N8 PolarHBondContact OG-ND2 2.81Å; N8-V10 PolarHBondContact O-N 2.83Å; N8-V10 VanDerWaalsContact O-N 3.17Å; N8-G64 CarbonylContact O-C 3.59Å; N8-G64 VanDerWaalsContact O-CA 3.31Å; N8-G64 WeakPolarHBondContact O-CA 3.14Å; N8-K65 PolarHBondContact N-O 3.01Å; N8-K65 PolarHBondContact O-N 3.46Å
9E97.4Very high90.6Very high108 Ų10872.9 Ų72.951%0.50538%0.379SS..EExtended strand (participates in β ladder)trans51.237175.7-65.7-58.1119.100113.5K11 I28 S29 G64E9-K11 PolarHBondContact O-N 2.65Å; E9-I28 PolarHBondContact N-O 3.26Å; E9-S29 PolarHBondContact N-OG 2.94Å; E9-S29 PolarHBondContact OE1-OG 2.85Å; E9-G64 WeakPolarHBondContact O-CA 3.48Å
10V97.6Very high90.2Very high0 Ų078.9 Ų78.90%040%0.401CS..EExtended strand (participates in β ladder)trans-72.3123.4-174.2167.30000111.2V7 N8 L25 G27 I28 L54 P61 D63 I66V7-V10 HydrophobicContact CG1-CB 3.7Å; V7-V10 HydrophobicContact CG1-CG2 3.45Å; V7-V10 VanDerWaalsContact CG1-CG2 3.45Å; N8-V10 PolarHBondContact O-N 2.83Å; N8-V10 VanDerWaalsContact O-N 3.17Å; V10-L25 HydrophobicContact CG1-CD1 4.12Å; V10-G27 CarbonylContact O-C 3.58Å; V10-G27 VanDerWaalsContact O-CA 3.29Å; V10-G27 WeakPolarHBondContact O-CA 3.31Å; V10-G27 PolarHBondContact O-N 2.97Å; V10-G27 VanDerWaalsContact O-N 3.12Å; V10-I28 PolarHBondContact N-O 2.8Å; V10-I28 PolarHBondContact O-N 3.28Å; V10-L54 HydrophobicContact CG1-CD1 3.55Å; V10-P61 HydrophobicContact CG1-CB 3.99Å; V10-D63 WeakPolarHBondContact CA-O 3.37Å; V10-I66 HydrophobicContact CG1-CD1 4.47Å; V10-I66 HydrophobicContact CG2-CD1 4.21Å; V10-I66 HydrophobicContact CG2-CG1 3.62Å
11K97.4Very high90.1Very high65 Ų6582.2 Ų82.228%0.28341%0.413SS..EExtended strand (participates in β ladder)trans-118.6146.5175.4-63.9166.7-1691610109.9E9 L25 T62 D63E9-K11 PolarHBondContact O-N 2.65Å; K11-L25 VanDerWaalsContact CA-O 3.31Å; K11-L25 WeakPolarHBondContact CA-O 3.48Å; K11-T62 PolarHBondContact O-N 2.82Å; K11-D63 HydrophobicContact CB-CB 4.19Å; K11-D63 HydrophobicContact CD-CB 4.25Å; K11-D63 PolarHBondContact N-O 3.17Å; K11-D63 IonicContact NZ-OD2 3.96Å; K11-D63 PolarHBondContact O-N 3.44Å
12K96.6Very high91Very high19 Ų1977.7 Ų77.78%0.08340%0.396CS..EExtended strand (participates in β ladder)trans-138.2123.3172-176.561172.1-170.10110Y14 Q23 A24 L25 T50 L54 D59 K60K12-Y14 HydrophobicContact CD-CE1 4.49Å; K12-Y14 WeakPolarHBondContact CE-OH 3.38Å; K12-Y14 HydrophobicContact CG-CD2 4.24Å; K12-Y14 HydrophobicContact CG-CE1 4.47Å; K12-Y14 HydrophobicContact CG-CE2 3.69Å; K12-Q23 CarbonylContact O-C 3.43Å; K12-Q23 WeakPolarHBondContact O-CA 3.27Å; K12-A24 PolarHBondContact O-N 3.33Å; K12-L25 HydrophobicContact CB-CB 4.16Å; K12-L25 HydrophobicContact CB-CD1 4.17Å; K12-L25 HydrophobicContact CB-CG 4.08Å; K12-L25 PolarHBondContact N-O 2.75Å; K12-L25 PolarHBondContact O-N 2.93Å; K12-T50 HydrophobicContact CB-CG2 3.91Å; K12-T50 HydrophobicContact CG-CG2 3.66Å; K12-L54 HydrophobicContact CB-CD1 4.32Å; K12-D59 WeakPolarHBondContact CE-OD2 3.38Å; K12-D59 IonicContact NZ-OD1 3.8Å; K12-D59 PolarHBondContact NZ-OD1 2.99Å; K12-D59 IonicContact NZ-OD2 2.65Å; K12-D59 PolarHBondContact NZ-OD2 2.77Å; K12-K60 WeakPolarHBondContact CD-O 3.49Å; K12-K60 PolarHBondContact NZ-O 2.85Å
13T95Very high91.1Very high42 Ų4277.6 Ų77.626%0.25840%0.396SS..EExtended strand (participates in β ladder)trans-119.3125.3172.8-53.50000109.1K21 T22 T62T13-K21 HydrophobicContact CG2-CB 3.86Å; T13-K21 HydrophobicContact CG2-CD 4.3Å; T13-K21 HydrophobicContact CG2-CG 4.29Å; T13-T22 CarbonylContact C-O 3.58Å; T13-T22 WeakPolarHBondContact CA-O 3.39Å; T13-T62 PolarHBondContact N-OG1 3.12Å
14Y92.9Very high91.1Very high83 Ų8373.2 Ų73.233%0.32538%0.379SS..EExtended strand (participates in β ladder)trans-95.1152.6170.2-67.4-74.4000110.3K12 K21 T22 A24 T50 D59K12-Y14 HydrophobicContact CD-CE1 4.49Å; K12-Y14 WeakPolarHBondContact CE-OH 3.38Å; K12-Y14 HydrophobicContact CG-CD2 4.24Å; K12-Y14 HydrophobicContact CG-CE1 4.47Å; K12-Y14 HydrophobicContact CG-CE2 3.69Å; Y14-K21 CarbonylContact O-C 3.58Å; Y14-K21 VanDerWaalsContact O-CA 3.32Å; Y14-K21 WeakPolarHBondContact O-CA 3.19Å; Y14-T22 PolarHBondContact N-O 2.76Å; Y14-T22 PolarHBondContact O-N 3.28Å; Y14-A24 HydrophobicContact CD2-CB 3.86Å; Y14-A24 HydrophobicContact CE2-CB 3.78Å; Y14-T50 HydrophobicContact CE2-CG2 3.83Å; Y14-D59 WeakPolarHBondContact CE1-OD2 3.46Å; Y14-D59 PolarHBondContact OH-OD2 2.95Å
15G86.5Confident91.2Very high36 Ų3672.8 Ų72.837%0.37138%0.377SS..  trans119.8129.9-177.400000111.8
16K78.6Confident91.1Very high179 Ų17977 Ų7778%0.77840%0.395SS*.  trans-114.2142.1176.8-72.7-175.6179.1178.40110.7N18 Q19K16-N18 PolarHBondContact O-N 3.09Å; K16-Q19 WeakPolarHBondContact O-CB 3.44Å; K16-Q19 WeakPolarHBondContact O-CG 3.45Å; K16-Q19 PolarHBondContact O-N 3.24Å
17G78.5Confident91Very high68 Ų6877 Ų7770%0.70140%0.398SS*.THydrogen-bonded Turntrans58.2-125.817500000112.7Q19G17-Q19 VanDerWaalsContact C-N 3.3Å; G17-Q19 PolarHBondContact O-N 3.19Å
18N77.3Confident91Very high179 Ų17977 Ų7796%0.95740%0.399SS*.THydrogen-bonded Turntrans-84.97.5-178.3-71.5-1000114.3K16K16-N18 PolarHBondContact O-N 3.09Å
19Q80.2Confident91Very high137 Ų13776.6 Ų76.664%0.6440%0.4SS*.SBendtrans-73.7152.2176-66.8-178.7-16.300111.6K16 G17 K21K16-Q19 WeakPolarHBondContact O-CB 3.44Å; K16-Q19 WeakPolarHBondContact O-CG 3.45Å; K16-Q19 PolarHBondContact O-N 3.24Å; G17-Q19 VanDerWaalsContact C-N 3.3Å; G17-Q19 PolarHBondContact O-N 3.19Å; Q19-K21 PolarHBondContact O-N 3.33Å; Q19-K21 VanDerWaalsContact O-N 3.14Å
20K83.7Confident91Very high191 Ų19172.1 Ų72.183%0.8338%0.379SS*.PPolyproline II helixtrans-56.5120.3173.3-170.2176.7-179.5-178.50108.9
21K88.1Confident91Very high150 Ų15075.3 Ų75.365%0.65239%0.394SS*.PPolyproline II helixtrans-76.6131176.1-70.1-176.2179.2179.10109.5T13 Y14 Q19T13-K21 HydrophobicContact CG2-CB 3.86Å; T13-K21 HydrophobicContact CG2-CD 4.3Å; T13-K21 HydrophobicContact CG2-CG 4.29Å; Y14-K21 CarbonylContact O-C 3.58Å; Y14-K21 VanDerWaalsContact O-CA 3.32Å; Y14-K21 WeakPolarHBondContact O-CA 3.19Å; Q19-K21 PolarHBondContact O-N 3.33Å; Q19-K21 VanDerWaalsContact O-N 3.14Å
22T90.8Very high91Very high87 Ų8772.2 Ų72.253%0.53438%0.38SS..EExtended strand (participates in β ladder)trans-117.1116.9174.5-59.40000108.5T13 Y14 A24T13-T22 CarbonylContact C-O 3.58Å; T13-T22 WeakPolarHBondContact CA-O 3.39Å; Y14-T22 PolarHBondContact N-O 2.76Å; Y14-T22 PolarHBondContact O-N 3.28Å; T22-A24 PolarHBondContact O-N 3.35Å
23Q92.2Very high91Very high88 Ų8874 Ų7441%0.41139%0.389SS..EExtended strand (participates in β ladder)trans-86.8103.9176.6-167.9173.713.500109.3K12 L25 K26K12-Q23 CarbonylContact O-C 3.43Å; K12-Q23 WeakPolarHBondContact O-CA 3.27Å; Q23-L25 VanDerWaalsContact CG-O 3.3Å; Q23-L25 WeakPolarHBondContact CG-O 3.3Å; Q23-L25 PolarHBondContact NE2-O 2.8Å; Q23-K26 HydrophobicContact CG-CG 3.85Å
24A94.8Very high91Very high16 Ų1677.5 Ų77.513%0.13240%0.401CS..EExtended strand (participates in β ladder)trans-79.9-34.1-179.300000112.4K12 Y14 T22 T50 G221K12-A24 PolarHBondContact O-N 3.33Å; Y14-A24 HydrophobicContact CD2-CB 3.86Å; Y14-A24 HydrophobicContact CE2-CB 3.78Å; T22-A24 PolarHBondContact O-N 3.35Å; A24-T50 HydrophobicContact CB-CG2 3.91Å; A24-G221 WeakPolarHBondContact O-CA 3.48Å
25L96.9Very high91.2Very high0 Ų073.8 Ų73.80%039%0.388CS..EExtended strand (participates in β ladder)trans-129.6135.9173.4-49.7175.7000109.8V10 K11 K12 Q23 I28 T50 L51 L54V10-L25 HydrophobicContact CG1-CD1 4.12Å; K11-L25 VanDerWaalsContact CA-O 3.31Å; K11-L25 WeakPolarHBondContact CA-O 3.48Å; K12-L25 HydrophobicContact CB-CB 4.16Å; K12-L25 HydrophobicContact CB-CD1 4.17Å; K12-L25 HydrophobicContact CB-CG 4.08Å; K12-L25 PolarHBondContact N-O 2.75Å; K12-L25 PolarHBondContact O-N 2.93Å; Q23-L25 VanDerWaalsContact CG-O 3.3Å; Q23-L25 WeakPolarHBondContact CG-O 3.3Å; Q23-L25 PolarHBondContact NE2-O 2.8Å; L25-I28 HydrophobicContact CB-CD1 4.48Å; L25-I28 HydrophobicContact CD2-CD1 3.66Å; L25-I28 HydrophobicContact CG-CD1 4.46Å; L25-T50 HydrophobicContact CD1-CG2 3.98Å; L25-T50 HydrophobicContact CD2-CG2 4.45Å; L25-T50 HydrophobicContact CG-CG2 3.93Å; L25-L51 HydrophobicContact CD1-CB 4.1Å; L25-L51 HydrophobicContact CD1-CD1 4.25Å; L25-L51 HydrophobicContact CD2-CB 4.18Å; L25-L54 HydrophobicContact CD1-CD1 3.52Å
26K96.3Very high91.7Very high89 Ų8973 Ų7339%0.38737%0.374SS..EExtended strand (participates in β ladder)trans-114.519.7-168.8-58.9-177-174150.50114.3Q23 D220 G221 V222Q23-K26 HydrophobicContact CG-CG 3.85Å; K26-D220 WeakPolarHBondContact CD-O 3.37Å; K26-D220 WeakPolarHBondContact CE-O 3.43Å; K26-D220 PolarHBondContact NZ-O 2.77Å; K26-G221 PolarHBondContact N-O 2.89Å; K26-V222 HydrophobicContact CB-CG1 3.78Å
27G95.8Very high92.6Very high18 Ų1864.4 Ų64.419%0.18634%0.337CS..EExtended strand (participates in β ladder)trans114.462-178.800000110.6V10V10-G27 CarbonylContact O-C 3.58Å; V10-G27 VanDerWaalsContact O-CA 3.29Å; V10-G27 WeakPolarHBondContact O-CA 3.31Å; V10-G27 PolarHBondContact O-N 2.97Å; V10-G27 VanDerWaalsContact O-N 3.12Å
28I96.6Very high93.5Very high1 Ų161.2 Ų61.21%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-82.9132.5178.4-68.9-169.7000109.6V7 E9 V10 L25 F30 L51 I218 G221 I223V7-I28 HydrophobicContact CG1-CG2 4.31Å; V7-I28 WeakPolarHBondContact CG1-O 3.3Å; E9-I28 PolarHBondContact N-O 3.26Å; V10-I28 PolarHBondContact N-O 2.8Å; V10-I28 PolarHBondContact O-N 3.28Å; L25-I28 HydrophobicContact CB-CD1 4.48Å; L25-I28 HydrophobicContact CD2-CD1 3.66Å; L25-I28 HydrophobicContact CG-CD1 4.46Å; I28-F30 HydrophobicContact CG2-CD1 3.63Å; I28-F30 HydrophobicContact CG2-CE1 3.84Å; I28-L51 HydrophobicContact CD1-CD2 4.17Å; I28-L51 HydrophobicContact CG2-CD1 4.48Å; I28-L51 HydrophobicContact CG2-CD2 4.32Å; I28-I218 HydrophobicContact CD1-CD1 3.87Å; I28-I218 HydrophobicContact CD1-CG1 4.43Å; I28-I218 HydrophobicContact CD1-CG2 4.48Å; I28-G221 VanDerWaalsContact CG1-O 3.29Å; I28-G221 WeakPolarHBondContact CG1-O 3.23Å; I28-I223 HydrophobicContact CD1-CG1 4.48Å; I28-I223 HydrophobicContact CG2-CD1 3.63Å; I28-I223 HydrophobicContact CG2-CG1 3.99Å
29S97.2Very high94.4Very high52 Ų5252.7 Ų52.736%0.36426%0.258SS..EExtended strand (participates in β ladder)trans-132.1123.4175.7-67.30000109.8V7 E9V7-S29 CarbonylContact O-C 3.54Å; V7-S29 WeakPolarHBondContact O-CA 2.9Å; E9-S29 PolarHBondContact N-OG 2.94Å; E9-S29 PolarHBondContact OE1-OG 2.85Å
30F97.6Very high95.2Very high15 Ų1546.1 Ų46.17%0.06623%0.228CC..EExtended strand (participates in β ladder)trans-164.6168.2171.671-80.4000110.4V7 I28 V32 I40 L51 L55 L200 L216 I223V7-F30 HydrophobicContact CB-CD1 3.83Å; V7-F30 HydrophobicContact CB-CE1 3.76Å; V7-F30 HydrophobicContact CB-CG 4.47Å; V7-F30 HydrophobicContact CB-CZ 4.35Å; V7-F30 WeakPolarHBondContact CB-O 3.42Å; V7-F30 HydrophobicContact CG1-CD1 4.19Å; V7-F30 HydrophobicContact CG1-CE1 3.96Å; V7-F30 HydrophobicContact CG2-CD1 4.06Å; V7-F30 HydrophobicContact CG2-CE1 3.54Å; V7-F30 HydrophobicContact CG2-CE2 4.25Å; V7-F30 HydrophobicContact CG2-CZ 3.66Å; V7-F30 PolarHBondContact N-O 3.33Å; V7-F30 PolarHBondContact O-N 2.88Å; I28-F30 HydrophobicContact CG2-CD1 3.63Å; I28-F30 HydrophobicContact CG2-CE1 3.84Å; F30-V32 HydrophobicContact CD2-CG2 4.11Å; F30-V32 HydrophobicContact CE2-CG2 3.8Å; F30-I40 HydrophobicContact CZ-CD1 4.35Å; F30-L51 HydrophobicContact CE1-CD1 4Å; F30-L51 HydrophobicContact CE1-CD2 3.78Å; F30-L51 HydrophobicContact CE1-CG 4.36Å; F30-L51 HydrophobicContact CZ-CD1 4.47Å; F30-L51 HydrophobicContact CZ-CD2 4.19Å; F30-L55 HydrophobicContact CZ-CD1 4.14Å; F30-L200 HydrophobicContact CE2-CD1 3.95Å; F30-L200 HydrophobicContact CZ-CD1 4.23Å; F30-L216 HydrophobicContact CB-CD1 3.94Å; F30-L216 HydrophobicContact CD1-CD1 4.26Å; F30-L216 HydrophobicContact CD2-CD1 3.51Å; F30-L216 HydrophobicContact CE2-CD1 4.01Å; F30-L216 HydrophobicContact CG-CD1 3.64Å; F30-I223 HydrophobicContact CB-CD1 3.91Å; F30-I223 HydrophobicContact CD1-CD1 3.71Å; F30-I223 HydrophobicContact CG-CD1 4.09Å
31E97.2Very high95.8Very high66 Ų6637.1 Ų37.131%0.30819%0.188SC..EExtended strand (participates in β ladder)trans-131.7154.6178.6-59.7174.714200109.2K3 V5 R214K3-E31 VanDerWaalsContact CD-CD 3.5Å; K3-E31 HydrophobicContact CD-CG 4.44Å; K3-E31 WeakPolarHBondContact CD-OE1 3.22Å; K3-E31 WeakPolarHBondContact CD-OE2 3.47Å; K3-E31 VanDerWaalsContact CE-CD 3.49Å; K3-E31 WeakPolarHBondContact CE-OE1 3.49Å; K3-E31 WeakPolarHBondContact CE-OE2 3.29Å; K3-E31 IonicContact NZ-OE1 3.12Å; K3-E31 PolarHBondContact NZ-OE1 2.89Å; K3-E31 IonicContact NZ-OE2 2.98Å; K3-E31 PolarHBondContact NZ-OE2 3.01Å; V5-E31 CarbonylContact O-C 3.49Å; V5-E31 VanDerWaalsContact O-CA 3.23Å; V5-E31 WeakPolarHBondContact O-CA 3.31Å; E31-R214 PolarHBondContact O-NH1 2.8Å; E31-R214 PolarHBondContact O-NH2 2.84Å
32V97.5Very high95.9Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-122.4130.7172-175.90000108.5I4 V5 F30 E36 V38 L200I4-V32 HydrophobicContact CD1-CG1 4.41Å; I4-V32 HydrophobicContact CG1-CB 4.5Å; I4-V32 HydrophobicContact CG1-CG1 4.43Å; I4-V32 VanDerWaalsContact CG1-O 3.3Å; I4-V32 WeakPolarHBondContact CG1-O 3.13Å; I4-V32 PolarHBondContact N-O 3.29Å; V5-V32 HydrophobicContact CB-CB 3.9Å; V5-V32 HydrophobicContact CB-CG2 4.07Å; V5-V32 HydrophobicContact CG2-CB 4.25Å; V5-V32 PolarHBondContact N-O 2.89Å; V5-V32 PolarHBondContact O-N 3.17Å; F30-V32 HydrophobicContact CD2-CG2 4.11Å; F30-V32 HydrophobicContact CE2-CG2 3.8Å; V32-E36 WeakPolarHBondContact CA-OE2 3.29Å; V32-E36 HydrophobicContact CG1-CB 4.1Å; V32-V38 HydrophobicContact CG1-CG2 3.91Å; V32-V38 HydrophobicContact CG2-CG2 4.26Å; V32-L200 HydrophobicContact CG2-CD1 4.13Å
33E96.6Very high95.7Very high56 Ų5629.6 Ų29.626%0.26216%0.164SC..EExtended strand (participates in β ladder)trans-88157.6176.9-62-165.3128.900111.8M1 E2 G35 E36 S198M1-E33 WeakPolarHBondContact CA-OE1 3.43Å; M1-E33 HydrophobicContact CB-CB 4.27Å; M1-E33 HydrophobicContact CB-CG 4.38Å; M1-E33 WeakPolarHBondContact CB-OE1 3.3Å; M1-E33 PolarHBondContact N-OE1 3.44Å; M1-E33 VanDerWaalsContact SD-OE2 3.34Å; E2-E33 WeakPolarHBondContact O-CA 3.04Å; E33-G35 PolarHBondContact O-N 2.9Å; E33-E36 HydrophobicContact CB-CB 4.42Å; E33-E36 PolarHBondContact N-OE2 3.48Å; E33-E36 WeakPolarHBondContact O-CB 3.34Å; E33-E36 PolarHBondContact O-N 2.92Å; E33-E36 VanDerWaalsContact O-N 3.17Å; E33-S198 PolarHBondContact O-OG 3.15Å; E33-S198 VanDerWaalsContact O-OG 3.12Å
34K96.2Very high95.4Very high116 Ų11631.4 Ų31.450%0.50419%0.186SC..THydrogen-bonded Turntrans-61.7132.9174.9-169.1171.6-175.3170.80110.7E2 I4 E36 S198E2-K34 HydrophobicContact CB-CB 4.37Å; E2-K34 PolarHBondContact O-N 2.59Å; E2-K34 WeakPolarHBondContact OE2-CD 3.34Å; E2-K34 IonicContact OE2-NZ 2.71Å; E2-K34 PolarHBondContact OE2-NZ 3.25Å; I4-K34 HydrophobicContact CG2-CB 3.79Å; I4-K34 HydrophobicContact CG2-CG 4.21Å; K34-E36 PolarHBondContact O-N 3.22Å; K34-S198 WeakPolarHBondContact CA-OG 3.31Å
35G96Very high95Very high5 Ų534.3 Ų34.35%0.05222%0.218CC..THydrogen-bonded Turntrans75.77.2-176.500000114.4E33 N192 Q196 S198E33-G35 PolarHBondContact O-N 2.9Å; G35-N192 PolarHBondContact O-ND2 2.81Å; G35-Q196 WeakPolarHBondContact CA-O 3.4Å; G35-S198 PolarHBondContact N-OG 2.92Å
36E96.9Very high94.7Very high19 Ų1934.7 Ų34.79%0.08922%0.22CC..  trans-83.6140.9178.6-160.8-177.4-175.800112V32 E33 K34 V38 S198 I199 R214V32-E36 WeakPolarHBondContact CA-OE2 3.29Å; V32-E36 HydrophobicContact CG1-CB 4.1Å; E33-E36 HydrophobicContact CB-CB 4.42Å; E33-E36 PolarHBondContact N-OE2 3.48Å; E33-E36 WeakPolarHBondContact O-CB 3.34Å; E33-E36 PolarHBondContact O-N 2.92Å; E33-E36 VanDerWaalsContact O-N 3.17Å; K34-E36 PolarHBondContact O-N 3.22Å; E36-V38 HydrophobicContact CB-CG2 4.24Å; E36-V38 HydrophobicContact CG-CG2 3.58Å; E36-V38 WeakPolarHBondContact OE1-CG2 3.21Å; E36-V38 WeakPolarHBondContact OE2-CG2 3.47Å; E36-S198 WeakPolarHBondContact O-CA 3.42Å; E36-I199 PolarHBondContact O-N 3.42Å; E36-R214 IonicContact OE1-CZ 3.19Å; E36-R214 IonicContact OE1-NE 3.15Å; E36-R214 PolarHBondContact OE1-NE 2.98Å; E36-R214 IonicContact OE1-NH2 3.74Å; E36-R214 PolarHBondContact OE1-NH2 2.8Å; E36-R214 IonicContact OE2-CZ 3.17Å; E36-R214 IonicContact OE2-NH2 3.61Å; E36-R214 PolarHBondContact OE2-NH2 2.89Å
37F97.5Very high94.4Very high0 Ų030.7 Ų30.70%020%0.204CC..EExtended strand (participates in β ladder)trans-107.5102.9168.8-164168.1000109.3M188 N192 I199 L201 Y211 C212 Q213 R214F37-M188 HydrophobicContact CE1-CB 4.15Å; F37-M188 HydrophobicContact CE2-CE 4.31Å; F37-M188 HydrophobicContact CZ-CB 4.14Å; F37-M188 HydrophobicContact CZ-CE 4.04Å; F37-N192 HydrophobicContact CB-CB 4.43Å; F37-N192 HydrophobicContact CD1-CB 4.19Å; F37-I199 WeakPolarHBondContact CA-O 3.37Å; F37-I199 HydrophobicContact CD1-CD1 4.5Å; F37-I199 HydrophobicContact CD2-CB 3.68Å; F37-I199 HydrophobicContact CD2-CG2 3.7Å; F37-I199 HydrophobicContact CE1-CD1 4.46Å; F37-I199 HydrophobicContact CE2-CB 3.98Å; F37-I199 HydrophobicContact CE2-CG2 3.47Å; F37-I199 VanDerWaalsContact CE2-CG2 3.47Å; F37-I199 HydrophobicContact CG-CB 4.12Å; F37-I199 HydrophobicContact CZ-CG2 4.1Å; F37-L201 HydrophobicContact CE2-CB 4.04Å; F37-L201 HydrophobicContact CE2-CD2 4.4Å; F37-Y211 WeakPolarHBondContact CD1-O 3.36Å; F37-C212 HydrophobicContact CD2-CB 4.32Å; F37-Q213 HydrophobicContact CB-CG 4.18Å; F37-Q213 PolarHBondContact O-N 2.88Å; F37-R214 PolarHBondContact O-N 3.12Å
38V97.9Very high94.3Very high0 Ų030.4 Ų30.40%020%0.198CC..EExtended strand (participates in β ladder)trans-106.6133.5-176.7-174.70000110.6V32 E36 I199 L200 L201 R214 L216V32-V38 HydrophobicContact CG1-CG2 3.91Å; V32-V38 HydrophobicContact CG2-CG2 4.26Å; E36-V38 HydrophobicContact CB-CG2 4.24Å; E36-V38 HydrophobicContact CG-CG2 3.58Å; E36-V38 WeakPolarHBondContact OE1-CG2 3.21Å; E36-V38 WeakPolarHBondContact OE2-CG2 3.47Å; V38-I199 PolarHBondContact N-O 2.88Å; V38-L200 CarbonylContact O-C 3.52Å; V38-L200 VanDerWaalsContact O-CA 3.28Å; V38-L200 WeakPolarHBondContact O-CA 3.26Å; V38-L201 PolarHBondContact O-N 3.42Å; V38-R214 CarbonylContact C-O 3.56Å; V38-R214 WeakPolarHBondContact CA-O 3.48Å; V38-L216 HydrophobicContact CG1-CD1 4.02Å; V38-L216 HydrophobicContact CG1-CG 4.1Å
39G97.5Very high94Very high0 Ų032.7 Ų32.70%021%0.214CC..EExtended strand (participates in β ladder)trans-104.5146.4168.800000111.4L201 C212 R214 I215 L216G39-L201 CarbonylContact C-O 3.55Å; G39-L201 VanDerWaalsContact CA-O 3.26Å; G39-L201 WeakPolarHBondContact CA-O 3.46Å; G39-C212 VanDerWaalsContact CA-SG 3.57Å; G39-C212 PolarHBondContact N-SG 2.85Å; G39-R214 PolarHBondContact N-O 3.11Å; G39-I215 CarbonylContact O-C 3.57Å; G39-I215 WeakPolarHBondContact O-CA 3.41Å; G39-L216 PolarHBondContact O-N 3.12Å
40I96.8Very high93.9Very high0 Ų031.3 Ų31.30%020%0.204CC..EExtended strand (participates in β ladder)trans-118.1117.1170.7-59.6-169.1000107.8F30 K48 L51 L200 L201 V202 T203 L216 I218F30-I40 HydrophobicContact CZ-CD1 4.35Å; I40-K48 HydrophobicContact CG2-CB 4.41Å; I40-K48 HydrophobicContact CG2-CG 4.29Å; I40-L51 HydrophobicContact CD1-CD2 3.55Å; I40-L51 HydrophobicContact CD1-CG 4.36Å; I40-L200 HydrophobicContact CD1-CD1 4.08Å; I40-L200 HydrophobicContact CD1-CD2 3.91Å; I40-L200 HydrophobicContact CD1-CG 4.23Å; I40-L200 HydrophobicContact CG1-CD2 4.29Å; I40-L200 HydrophobicContact CG1-CG 4.39Å; I40-L201 PolarHBondContact N-O 3.45Å; I40-V202 HydrophobicContact CB-CG2 4.07Å; I40-V202 HydrophobicContact CG2-CG2 4.46Å; I40-T203 PolarHBondContact O-N 3.4Å; I40-L216 WeakPolarHBondContact CA-O 3.48Å; I40-L216 HydrophobicContact CG1-CB 4.46Å; I40-I218 HydrophobicContact CG2-CD1 3.36Å; I40-I218 HydrophobicContact CG2-CG1 3.91Å
41M95.3Very high93.8Very high1 Ų130.6 Ų30.61%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-117.3160-178.1-66.4-166.685.100111.8T203 P206 A209 I215 L216 F217 I218 I241 L245M41-T203 WeakPolarHBondContact CA-O 2.91Å; M41-T203 HydrophobicContact CG-CG2 4.29Å; M41-P206 HydrophobicContact CE-CG 4.49Å; M41-A209 HydrophobicContact CE-CB 3.85Å; M41-A209 HydrophobicContact CG-CB 4.08Å; M41-A209 HydrophobicContact SD-CB 3.25Å; M41-A209 WeakPolarHBondContact SD-CB 3.29Å; M41-I215 HydrophobicContact CB-CG2 4Å; M41-I215 HydrophobicContact CG-CG2 3.69Å; M41-I215 HydrophobicContact SD-CG2 3.9Å; M41-L216 PolarHBondContact N-O 2.94Å; M41-F217 HydrophobicContact CB-CD1 3.72Å; M41-F217 HydrophobicContact CB-CE1 3.87Å; M41-F217 HydrophobicContact CG-CE1 4.46Å; M41-F217 CarbonylContact O-C 3.53Å; M41-F217 WeakPolarHBondContact O-CA 3.29Å; M41-F217 HydrophobicContact SD-CE1 3.9Å; M41-F217 HydrophobicContact SD-CZ 4.36Å; M41-I218 PolarHBondContact O-N 3.21Å; M41-I241 HydrophobicContact CE-CG2 4.04Å; M41-I241 HydrophobicContact SD-CG2 3.65Å; M41-L245 HydrophobicContact CE-CD1 3.87Å
42G91.4Very high93.7Very high7 Ų727.6 Ų27.67%0.07219%0.187CC..  trans156.5165.8178.600000112.6K48 I218G42-K48 WeakPolarHBondContact O-CE 3.49Å; G42-K48 PolarHBondContact O-NZ 3.49Å; G42-I218 VanDerWaalsContact CA-O 3.3Å; G42-I218 WeakPolarHBondContact CA-O 3.45Å
43A86.2Confident93.5Very high72 Ų7230.2 Ų30.260%0.59520%0.201SC*.  trans-61163.4179.800000113G45 S46 K48A43-G45 PolarHBondContact O-N 2.88Å; A43-S46 WeakPolarHBondContact O-CB 3.05Å; A43-S46 PolarHBondContact O-N 2.93Å; A43-S46 PolarHBondContact O-OG 3.4Å; A43-S46 VanDerWaalsContact O-OG 3.12Å; A43-K48 PolarHBondContact O-NZ 3.01Å
44S85.5Confident93.4Very high126 Ų12627.6 Ų27.688%0.88119%0.189SC*.THydrogen-bonded Turntrans-58.4134.9170.8-171.30000110S46S44-S46 VanDerWaalsContact C-N 3.32Å; S44-S46 PolarHBondContact O-N 2.65Å
45G86Confident93.4Very high78 Ų7822.2 Ų22.280%0.80417%0.165SC*.THydrogen-bonded Turntrans79.30.5-177.800000116.3A43 G47A43-G45 PolarHBondContact O-N 2.88Å; G45-G47 PolarHBondContact O-N 3.45Å; G45-G47 VanDerWaalsContact O-N 3.16Å
46S90.2Very high93.3Very high7 Ų722 Ų225%0.04916%0.163CC..SBendtrans-70.1-10-178.873.10000115.2A43 S44 K48 I218 G221A43-S46 WeakPolarHBondContact O-CB 3.05Å; A43-S46 PolarHBondContact O-N 2.93Å; A43-S46 PolarHBondContact O-OG 3.4Å; A43-S46 VanDerWaalsContact O-OG 3.12Å; S44-S46 VanDerWaalsContact C-N 3.32Å; S44-S46 PolarHBondContact O-N 2.65Å; S46-K48 WeakPolarHBondContact OG-CG 3.18Å; S46-I218 WeakPolarHBondContact CB-O 3.26Å; S46-I218 WeakPolarHBondContact O-CG2 3.37Å; S46-I218 PolarHBondContact OG-O 3.1Å; S46-G221 WeakPolarHBondContact O-CA 3.37Å; S46-G221 PolarHBondContact O-N 3.23Å
47G91.7Very high93.1Very high5 Ų521.6 Ų21.65%0.05216%0.162CC..SBendtrans111.10.4178.800000115.3G45 S49 T50 L51G45-G47 PolarHBondContact O-N 3.45Å; G45-G47 VanDerWaalsContact O-N 3.16Å; G47-S49 PolarHBondContact O-N 3.06Å; G47-T50 WeakPolarHBondContact O-CA 3.41Å; G47-T50 VanDerWaalsContact O-CB 3.31Å; G47-T50 WeakPolarHBondContact O-CB 3.47Å; G47-T50 PolarHBondContact O-N 3.28Å; G47-T50 VanDerWaalsContact O-N 3.08Å; G47-L51 PolarHBondContact O-N 2.93Å
48K93.2Very high92.9Very high12 Ų1226.1 Ų26.15%0.05219%0.186CC..Hα-helixtrans-52.1-57.2-177.4-47.7-176.2-62.9-770114I40 G42 A43 S46 T50 L51 L52 V202I40-K48 HydrophobicContact CG2-CB 4.41Å; I40-K48 HydrophobicContact CG2-CG 4.29Å; G42-K48 WeakPolarHBondContact O-CE 3.49Å; G42-K48 PolarHBondContact O-NZ 3.49Å; A43-K48 PolarHBondContact O-NZ 3.01Å; S46-K48 WeakPolarHBondContact OG-CG 3.18Å; K48-T50 PolarHBondContact O-N 3.34Å; K48-L51 WeakPolarHBondContact O-CB 3.42Å; K48-L51 PolarHBondContact O-N 3.45Å; K48-L51 VanDerWaalsContact O-N 3.12Å; K48-L52 PolarHBondContact O-N 3.18Å; K48-V202 HydrophobicContact CB-CG1 3.52Å; K48-V202 HydrophobicContact CB-CG2 4.25Å; K48-V202 HydrophobicContact CD-CG1 4.01Å; K48-V202 HydrophobicContact CG-CG1 4.38Å
49S90.4Very high92.6Very high50 Ų5028.4 Ų28.435%0.3520%0.198SC..Hα-helixtrans-66.3-29179.5-47.70000112G47 N53 D170G47-S49 PolarHBondContact O-N 3.06Å; S49-N53 VanDerWaalsContact O-CB 3.3Å; S49-N53 WeakPolarHBondContact O-CB 3.45Å; S49-N53 PolarHBondContact O-N 3.03Å; S49-N53 PolarHBondContact O-ND2 3.21Å; S49-D170 PolarHBondContact OG-OD1 3.24Å; S49-D170 PolarHBondContact OG-OD2 3.07Å
50T94Very high92.4Very high22 Ų2232.5 Ų32.514%0.13522%0.216CC..Hα-helixtrans-63.1-50.1171.3-63.30000110.3K12 Y14 A24 L25 G47 K48 L52 N53 L54K12-T50 HydrophobicContact CB-CG2 3.91Å; K12-T50 HydrophobicContact CG-CG2 3.66Å; Y14-T50 HydrophobicContact CE2-CG2 3.83Å; A24-T50 HydrophobicContact CB-CG2 3.91Å; L25-T50 HydrophobicContact CD1-CG2 3.98Å; L25-T50 HydrophobicContact CD2-CG2 4.45Å; L25-T50 HydrophobicContact CG-CG2 3.93Å; G47-T50 WeakPolarHBondContact O-CA 3.41Å; G47-T50 VanDerWaalsContact O-CB 3.31Å; G47-T50 WeakPolarHBondContact O-CB 3.47Å; G47-T50 PolarHBondContact O-N 3.28Å; G47-T50 VanDerWaalsContact O-N 3.08Å; K48-T50 PolarHBondContact O-N 3.34Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 3.33Å; T50-N53 PolarHBondContact O-N 2.79Å; T50-L54 WeakPolarHBondContact O-CG 3.32Å; T50-L54 PolarHBondContact O-N 2.93Å
51L95.6Very high92.3Very high0 Ų033.8 Ų33.80%022%0.224CC..Hα-helixtrans-60.3-44.4178.2176.360000111.7L25 I28 F30 I40 G47 K48 N53 L54 L55 I218L25-L51 HydrophobicContact CD1-CB 4.1Å; L25-L51 HydrophobicContact CD1-CD1 4.25Å; L25-L51 HydrophobicContact CD2-CB 4.18Å; I28-L51 HydrophobicContact CD1-CD2 4.17Å; I28-L51 HydrophobicContact CG2-CD1 4.48Å; I28-L51 HydrophobicContact CG2-CD2 4.32Å; F30-L51 HydrophobicContact CE1-CD1 4Å; F30-L51 HydrophobicContact CE1-CD2 3.78Å; F30-L51 HydrophobicContact CE1-CG 4.36Å; F30-L51 HydrophobicContact CZ-CD1 4.47Å; F30-L51 HydrophobicContact CZ-CD2 4.19Å; I40-L51 HydrophobicContact CD1-CD2 3.55Å; I40-L51 HydrophobicContact CD1-CG 4.36Å; G47-L51 PolarHBondContact O-N 2.93Å; K48-L51 WeakPolarHBondContact O-CB 3.42Å; K48-L51 PolarHBondContact O-N 3.45Å; K48-L51 VanDerWaalsContact O-N 3.12Å; L51-N53 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 2.72Å; L51-L54 WeakPolarHBondContact O-CB 3.41Å; L51-L54 PolarHBondContact O-N 2.83Å; L51-L55 WeakPolarHBondContact O-CG 2.97Å; L51-L55 PolarHBondContact O-N 3.38Å; L51-I218 HydrophobicContact CD2-CD1 3.56Å
52L94.7Very high92.3Very high3 Ų337.6 Ų37.62%0.01625%0.247CC..Hα-helixtrans-60.4-43.2176.4-166.974000111.6K48 T50 L54 L55 A56 L168 D170 L200 V202K48-L52 PolarHBondContact O-N 3.18Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 3.33Å; L52-L54 VanDerWaalsContact C-N 3.28Å; L52-L54 PolarHBondContact O-N 3.14Å; L52-L55 PolarHBondContact O-N 2.9Å; L52-A56 WeakPolarHBondContact O-CB 3.25Å; L52-A56 PolarHBondContact O-N 2.62Å; L52-L168 HydrophobicContact CD1-CB 4.09Å; L52-L168 HydrophobicContact CD1-CD1 4.31Å; L52-L168 HydrophobicContact CD1-CD2 4.11Å; L52-L168 HydrophobicContact CD1-CG 4.4Å; L52-D170 HydrophobicContact CD2-CB 3.27Å; L52-L200 HydrophobicContact CD1-CD2 3.55Å; L52-V202 HydrophobicContact CB-CG2 4.02Å; L52-V202 HydrophobicContact CD1-CG2 4.06Å; L52-V202 HydrophobicContact CD2-CG2 4.26Å; L52-V202 HydrophobicContact CG-CG2 4.35Å
53N93.7Very high92.6Very high55 Ų5541.8 Ų41.829%0.29427%0.268SS..Hα-helixtrans-62.5-33.7176.9-75.5-24.5000112.9S49 T50 L51 T57 L58 D59S49-N53 VanDerWaalsContact O-CB 3.3Å; S49-N53 WeakPolarHBondContact O-CB 3.45Å; S49-N53 PolarHBondContact O-N 3.03Å; S49-N53 PolarHBondContact O-ND2 3.21Å; T50-N53 PolarHBondContact O-N 2.79Å; L51-N53 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 2.72Å; N53-T57 PolarHBondContact O-N 3.2Å; N53-L58 HydrophobicContact CB-CB 4.28Å; N53-L58 WeakPolarHBondContact O-CB 3.36Å; N53-L58 PolarHBondContact O-N 3.2Å; N53-D59 HydrophobicContact CB-CB 4.43Å; N53-D59 PolarHBondContact O-N 2.8Å
54L95.4Very high93.1Very high2 Ų239.6 Ų39.61%0.0125%0.252CS..Hα-helixtrans-68.2-45.1173.5-63.6-175.8000111.8V10 K12 L25 T50 L51 L52 A56 T57 D59 K60 P61 I66V10-L54 HydrophobicContact CG1-CD1 3.55Å; K12-L54 HydrophobicContact CB-CD1 4.32Å; L25-L54 HydrophobicContact CD1-CD1 3.52Å; T50-L54 WeakPolarHBondContact O-CG 3.32Å; T50-L54 PolarHBondContact O-N 2.93Å; L51-L54 WeakPolarHBondContact O-CB 3.41Å; L51-L54 PolarHBondContact O-N 2.83Å; L52-L54 VanDerWaalsContact C-N 3.28Å; L52-L54 PolarHBondContact O-N 3.14Å; L54-A56 VanDerWaalsContact C-N 3.31Å; L54-A56 PolarHBondContact O-N 2.9Å; L54-T57 PolarHBondContact O-N 3.03Å; L54-T57 VanDerWaalsContact O-N 3.13Å; L54-D59 HydrophobicContact CD2-CB 3.99Å; L54-K60 WeakPolarHBondContact CD2-O 3.42Å; L54-P61 HydrophobicContact CD1-CB 4.27Å; L54-I66 HydrophobicContact CB-CD1 3.7Å
55L95.3Very high93.7Very high3 Ų337 Ų372%0.01623%0.225CC..Hα-helixtrans-64-38.8175.6-67.7175.3000112.1V5 V7 F30 L51 L52 T57 I66 I68 I89 L168 L200V5-L55 HydrophobicContact CG1-CD2 3.84Å; V7-L55 HydrophobicContact CG2-CD2 3.75Å; F30-L55 HydrophobicContact CZ-CD1 4.14Å; L51-L55 WeakPolarHBondContact O-CG 2.97Å; L51-L55 PolarHBondContact O-N 3.38Å; L52-L55 PolarHBondContact O-N 2.9Å; L55-T57 PolarHBondContact O-N 3.49Å; L55-T57 VanDerWaalsContact O-N 3.15Å; L55-I66 HydrophobicContact CD2-CG2 4.02Å; L55-I68 VanDerWaalsContact O-CD1 3.3Å; L55-I68 WeakPolarHBondContact O-CD1 3.19Å; L55-I89 VanDerWaalsContact O-CD1 3.25Å; L55-I89 WeakPolarHBondContact O-CD1 3.3Å; L55-L168 HydrophobicContact CB-CD1 4.24Å; L55-L200 HydrophobicContact CD1-CD1 3.66Å; L55-L200 HydrophobicContact CD1-CD2 4.08Å
56A93.8Very high94.2Very high0 Ų033.4 Ų33.40%019%0.187CC..THydrogen-bonded Turntrans-65.2-9174.800000113.7L52 L54 L58 R85 F91 L168L52-A56 WeakPolarHBondContact O-CB 3.25Å; L52-A56 PolarHBondContact O-N 2.62Å; L54-A56 VanDerWaalsContact C-N 3.31Å; L54-A56 PolarHBondContact O-N 2.9Å; A56-L58 HydrophobicContact CB-CB 4.26Å; A56-L58 HydrophobicContact CB-CD1 3.71Å; A56-L58 HydrophobicContact CB-CG 3.75Å; A56-L58 PolarHBondContact O-N 3.39Å; A56-R85 WeakPolarHBondContact O-CD 3.23Å; A56-F91 HydrophobicContact CB-CE1 4Å; A56-F91 HydrophobicContact CB-CE2 4.45Å; A56-F91 HydrophobicContact CB-CZ 3.4Å; A56-L168 HydrophobicContact CB-CD1 4.15Å
57T93.7Very high94.5Very high11 Ų1135.6 Ų35.67%0.06720%0.197CC..THydrogen-bonded Turntrans59.221-17269.80000113.8N53 L54 L55 V73 L81 F84 I89N53-T57 PolarHBondContact O-N 3.2Å; L54-T57 PolarHBondContact O-N 3.03Å; L54-T57 VanDerWaalsContact O-N 3.13Å; L55-T57 PolarHBondContact O-N 3.49Å; L55-T57 VanDerWaalsContact O-N 3.15Å; T57-V73 HydrophobicContact CG2-CB 3.98Å; T57-V73 HydrophobicContact CG2-CG1 4.17Å; T57-V73 HydrophobicContact CG2-CG2 4.3Å; T57-L81 HydrophobicContact CG2-CD2 4.22Å; T57-F84 HydrophobicContact CG2-CD1 3.96Å; T57-F84 HydrophobicContact CG2-CE1 4.31Å; T57-I89 HydrophobicContact CG2-CD1 4.13Å
58L92.1Very high94.8Very high95 Ų9535.4 Ų35.450%0.49720%0.195SC..SBendtrans-79.2-24.5175.4-71171.3000112.2N53 A56N53-L58 HydrophobicContact CB-CB 4.28Å; N53-L58 WeakPolarHBondContact O-CB 3.36Å; N53-L58 PolarHBondContact O-N 3.2Å; A56-L58 HydrophobicContact CB-CB 4.26Å; A56-L58 HydrophobicContact CB-CD1 3.71Å; A56-L58 HydrophobicContact CB-CG 3.75Å; A56-L58 PolarHBondContact O-N 3.39Å
59D92.3Very high94.8Very high48 Ų4838 Ų3826%0.25721%0.209SC..SBendtrans-140.4167.5176-164.90.4000109.3K12 Y14 N53 L54K12-D59 WeakPolarHBondContact CE-OD2 3.38Å; K12-D59 IonicContact NZ-OD1 3.8Å; K12-D59 PolarHBondContact NZ-OD1 2.99Å; K12-D59 IonicContact NZ-OD2 2.65Å; K12-D59 PolarHBondContact NZ-OD2 2.77Å; Y14-D59 WeakPolarHBondContact CE1-OD2 3.46Å; Y14-D59 PolarHBondContact OH-OD2 2.95Å; N53-D59 HydrophobicContact CB-CB 4.43Å; N53-D59 PolarHBondContact O-N 2.8Å; L54-D59 HydrophobicContact CD2-CB 3.99Å
60K92.8Very high94.9Very high86 Ų8642.8 Ų42.837%0.37423%0.226SC..  trans-111.5142.3179.2-65.6-165.1-179.4-162.50111.9K12 L54 L76K12-K60 WeakPolarHBondContact CD-O 3.49Å; K12-K60 PolarHBondContact NZ-O 2.85Å; L54-K60 WeakPolarHBondContact CD2-O 3.42Å; K60-L76 WeakPolarHBondContact CE-O 3.43Å; K60-L76 PolarHBondContact NZ-O 2.88Å
61P95.6Very high94.9Very high26 Ų2643.5 Ų43.517%0.16923%0.234CC..  trans-62.4150.2171.528.4-34.3000109.9V10 L54 T74V10-P61 HydrophobicContact CG1-CB 3.99Å; L54-P61 HydrophobicContact CD1-CB 4.27Å; P61-T74 HydrophobicContact CG-CG2 3.68Å
62T95.4Very high94.9Very high82 Ų8244.7 Ų44.750%0.50324%0.241SC..SBendtrans-74.7-35.6169.6-57.90000110.6K11 T13K11-T62 PolarHBondContact O-N 2.82Å; T13-T62 PolarHBondContact N-OG1 3.12Å
63D96.5Very high94.9Very high94 Ų9444.9 Ų44.950%0.50324%0.242SC..EExtended strand (participates in β ladder)trans-154.5162.7178.2-171.119.3000109.2V10 K11V10-D63 WeakPolarHBondContact CA-O 3.37Å; K11-D63 HydrophobicContact CB-CB 4.19Å; K11-D63 HydrophobicContact CD-CB 4.25Å; K11-D63 PolarHBondContact N-O 3.17Å; K11-D63 IonicContact NZ-OD2 3.96Å; K11-D63 PolarHBondContact O-N 3.44Å
64G96.9Very high94.9Very high26 Ų2643.9 Ų43.927%0.26824%0.238SC..EExtended strand (participates in β ladder)trans87.4-179.2-174.900000113.9N8 E9N8-G64 CarbonylContact O-C 3.59Å; N8-G64 VanDerWaalsContact O-CA 3.31Å; N8-G64 WeakPolarHBondContact O-CA 3.14Å; E9-G64 WeakPolarHBondContact O-CA 3.48Å
65K97.3Very high94.8Very high73 Ų7351.4 Ų51.432%0.31727%0.271SS..EExtended strand (participates in β ladder)trans-129.9137.1-169.7-165.8-172.4-176.1-160.80111.5N8 Q67 D72N8-K65 PolarHBondContact N-O 3.01Å; N8-K65 PolarHBondContact O-N 3.46Å; K65-Q67 HydrophobicContact CD-CG 4.27Å; K65-Q67 HydrophobicContact CG-CG 4.37Å; K65-D72 VanDerWaalsContact CE-CG 3.45Å; K65-D72 WeakPolarHBondContact CE-OD2 3.48Å
66I97.6Very high94.7Very high1 Ų152.9 Ų52.91%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-121.7127.2172.2-57.4175.9000107.7S6 V10 L54 L55 I68 V73 T74S6-I66 CarbonylContact O-C 3.55Å; S6-I66 WeakPolarHBondContact O-CA 3.21Å; V10-I66 HydrophobicContact CG1-CD1 4.47Å; V10-I66 HydrophobicContact CG2-CD1 4.21Å; V10-I66 HydrophobicContact CG2-CG1 3.62Å; L54-I66 HydrophobicContact CB-CD1 3.7Å; L55-I66 HydrophobicContact CD2-CG2 4.02Å; I66-I68 HydrophobicContact CG2-CD1 4.42Å; I66-I68 HydrophobicContact CG2-CG1 4.19Å; I66-V73 HydrophobicContact CB-CG2 3.63Å; I66-V73 HydrophobicContact CG2-CG2 3.51Å; I66-V73 WeakPolarHBondContact O-CG2 3.37Å; I66-V73 PolarHBondContact O-N 3.44Å; I66-V73 VanDerWaalsContact O-N 3.09Å; I66-T74 HydrophobicContact CB-CG2 3.99Å; I66-T74 HydrophobicContact CG1-CG2 4.3Å
67Q97.2Very high94.6Very high54 Ų5455.9 Ų55.925%0.25230%0.299SS..EExtended strand (participates in β ladder)trans-120.2134.5171.1-61.2-173.6-101.800109.8V5 S6 K65 Q70 A71 D72V5-Q67 CarbonylContact C-O 3.55Å; V5-Q67 VanDerWaalsContact CA-O 3.3Å; V5-Q67 WeakPolarHBondContact CA-O 3.35Å; S6-Q67 PolarHBondContact N-O 3.46Å; S6-Q67 PolarHBondContact O-N 2.94Å; K65-Q67 HydrophobicContact CD-CG 4.27Å; K65-Q67 HydrophobicContact CG-CG 4.37Å; Q67-Q70 PolarHBondContact NE2-O 2.83Å; Q67-A71 CarbonylContact C-O 3.59Å; Q67-A71 WeakPolarHBondContact CA-O 3.45Å; Q67-D72 HydrophobicContact CG-CB 4.36Å
68I96.8Very high94.4Very high1 Ų158 Ų581%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-132.6128175.1-59.4174.7000107.2I4 V5 L55 I66 Q70 A71 V73 F84 I89 T165I4-I68 CarbonylContact O-C 3.51Å; I4-I68 VanDerWaalsContact O-CA 3.27Å; I4-I68 WeakPolarHBondContact O-CA 3.35Å; V5-I68 HydrophobicContact CG1-CG1 4.27Å; V5-I68 HydrophobicContact CG2-CG1 4.24Å; V5-I68 HydrophobicContact CG2-CG2 4.43Å; L55-I68 VanDerWaalsContact O-CD1 3.3Å; L55-I68 WeakPolarHBondContact O-CD1 3.19Å; I66-I68 HydrophobicContact CG2-CD1 4.42Å; I66-I68 HydrophobicContact CG2-CG1 4.19Å; I68-Q70 PolarHBondContact O-N 2.83Å; I68-A71 PolarHBondContact N-O 2.79Å; I68-A71 WeakPolarHBondContact O-CB 3.26Å; I68-A71 PolarHBondContact O-N 2.96Å; I68-V73 HydrophobicContact CB-CG1 4.24Å; I68-V73 HydrophobicContact CD1-CG1 4.34Å; I68-V73 HydrophobicContact CG1-CG1 4.37Å; I68-F84 HydrophobicContact CB-CE1 4.08Å; I68-F84 HydrophobicContact CB-CZ 3.62Å; I68-F84 HydrophobicContact CD1-CE1 4.21Å; I68-F84 HydrophobicContact CG2-CE1 4.13Å; I68-F84 HydrophobicContact CG2-CZ 3.72Å; I68-I89 HydrophobicContact CD1-CD1 4.41Å; I68-T165 HydrophobicContact CG2-CG2 4.14Å
69N93.9Very high94.4Very high65 Ų6559.9 Ų59.935%0.34833%0.334SS..THydrogen-bonded Turntrans4947.3-173.7-161.913000112.1I4 A71 E88 T165I4-N69 PolarHBondContact O-N 2.82Å; N69-A71 PolarHBondContact O-N 2.77Å; N69-E88 WeakPolarHBondContact CB-OE2 3.45Å; N69-E88 PolarHBondContact ND2-OE2 2.93Å; N69-T165 HydrophobicContact CB-CG2 4.05Å; N69-T165 PolarHBondContact ND2-OG1 2.68Å
70Q92.1Very high94.4Very high151 Ų15162.5 Ų62.571%0.70635%0.345SS*.THydrogen-bonded Turntrans64.7-13.4-175-50177.110.700115.9Q67 I68Q67-Q70 PolarHBondContact NE2-O 2.83Å; I68-Q70 PolarHBondContact O-N 2.83Å
71A94.5Very high94.4Very high38 Ų3859.7 Ų59.731%0.31433%0.333SS..EExtended strand (participates in β ladder)trans-76.5130.3177.100000111.4Q67 I68 N69 V73 F84Q67-A71 CarbonylContact C-O 3.59Å; Q67-A71 WeakPolarHBondContact CA-O 3.45Å; I68-A71 PolarHBondContact N-O 2.79Å; I68-A71 WeakPolarHBondContact O-CB 3.26Å; I68-A71 PolarHBondContact O-N 2.96Å; N69-A71 PolarHBondContact O-N 2.77Å; A71-V73 PolarHBondContact O-N 2.84Å; A71-F84 HydrophobicContact CB-CD2 4.4Å; A71-F84 HydrophobicContact CB-CE2 3.72Å
72D95.8Very high94.3Very high25 Ų2560.2 Ų60.213%0.13434%0.34CS..EExtended strand (participates in β ladder)trans-79.695.5174.2-174.2-8.9000110.4K65 Q67 T74 K75K65-D72 VanDerWaalsContact CE-CG 3.45Å; K65-D72 WeakPolarHBondContact CE-OD2 3.48Å; Q67-D72 HydrophobicContact CG-CB 4.36Å; D72-T74 PolarHBondContact O-N 3.16Å; D72-T74 PolarHBondContact OD1-N 3.12Å; D72-T74 PolarHBondContact OD1-OG1 2.88Å; D72-K75 HydrophobicContact CB-CD 4.29Å; D72-K75 PolarHBondContact O-N 3.45Å; D72-K75 WeakPolarHBondContact OD2-CD 3.36Å; D72-K75 WeakPolarHBondContact OD2-CE 3.4Å; D72-K75 IonicContact OD2-NZ 3.44Å; D72-K75 PolarHBondContact OD2-NZ 2.9Å
73V95.2Very high94.2Very high6 Ų660.3 Ų60.34%0.03634%0.337CS..G310 helixtrans-70.5-18.4-174.8-59.40000112.6T57 I66 I68 A71 K75 L76 F84T57-V73 HydrophobicContact CG2-CB 3.98Å; T57-V73 HydrophobicContact CG2-CG1 4.17Å; T57-V73 HydrophobicContact CG2-CG2 4.3Å; I66-V73 HydrophobicContact CB-CG2 3.63Å; I66-V73 HydrophobicContact CG2-CG2 3.51Å; I66-V73 WeakPolarHBondContact O-CG2 3.37Å; I66-V73 PolarHBondContact O-N 3.44Å; I66-V73 VanDerWaalsContact O-N 3.09Å; I68-V73 HydrophobicContact CB-CG1 4.24Å; I68-V73 HydrophobicContact CD1-CG1 4.34Å; I68-V73 HydrophobicContact CG1-CG1 4.37Å; A71-V73 PolarHBondContact O-N 2.84Å; V73-K75 PolarHBondContact O-N 3.43Å; V73-L76 HydrophobicContact CB-CD1 4.4Å; V73-L76 HydrophobicContact CG1-CD1 4.3Å; V73-L76 PolarHBondContact O-N 3.12Å; V73-F84 HydrophobicContact CG1-CD1 3.89Å; V73-F84 HydrophobicContact CG1-CD2 4.31Å; V73-F84 HydrophobicContact CG1-CE1 3.47Å; V73-F84 VanDerWaalsContact CG1-CE1 3.47Å; V73-F84 HydrophobicContact CG1-CE2 3.93Å; V73-F84 HydrophobicContact CG1-CG 4.31Å; V73-F84 HydrophobicContact CG1-CZ 3.52Å
74T92.3Very high94.1Very high35 Ų3556.4 Ų56.422%0.21532%0.316CS..G310 helixtrans-68.7-24.9178.769.80000112.6P61 I66 D72P61-T74 HydrophobicContact CG-CG2 3.68Å; I66-T74 HydrophobicContact CB-CG2 3.99Å; I66-T74 HydrophobicContact CG1-CG2 4.3Å; D72-T74 PolarHBondContact O-N 3.16Å; D72-T74 PolarHBondContact OD1-N 3.12Å; D72-T74 PolarHBondContact OD1-OG1 2.88Å
75K93Very high93.9Very high160 Ų16059.6 Ų59.670%0.69632%0.32SS*.G310 helixtrans-86.6-13.9178.2-65.8-179.5179.4169.80113.4D72 V73D72-K75 HydrophobicContact CB-CD 4.29Å; D72-K75 PolarHBondContact O-N 3.45Å; D72-K75 WeakPolarHBondContact OD2-CD 3.36Å; D72-K75 WeakPolarHBondContact OD2-CE 3.4Å; D72-K75 IonicContact OD2-NZ 3.44Å; D72-K75 PolarHBondContact OD2-NZ 2.9Å; V73-K75 PolarHBondContact O-N 3.43Å
76L93Very high93.7Very high33 Ų3358 Ų5817%0.17332%0.318CS..  trans-76150.3-179.7-57.4-179.6000110.8K60 V73 Q80 L81 F84K60-L76 WeakPolarHBondContact CE-O 3.43Å; K60-L76 PolarHBondContact NZ-O 2.88Å; V73-L76 HydrophobicContact CB-CD1 4.4Å; V73-L76 HydrophobicContact CG1-CD1 4.3Å; V73-L76 PolarHBondContact O-N 3.12Å; L76-Q80 HydrophobicContact CB-CB 4.15Å; L76-Q80 HydrophobicContact CD2-CB 4.14Å; L76-L81 HydrophobicContact CB-CD2 3.62Å; L76-L81 HydrophobicContact CB-CG 3.89Å; L76-F84 HydrophobicContact CD1-CB 3.82Å; L76-F84 HydrophobicContact CD1-CD2 3.86Å; L76-F84 HydrophobicContact CD1-CG 3.85Å
77S91.8Very high93.5Very high64 Ų6464.1 Ų64.145%0.44834%0.341SS..  trans-146.7155.1177.166.90000112.5N79 Q80S77-N79 PolarHBondContact O-N 3.25Å; S77-Q80 WeakPolarHBondContact O-CB 3.43Å; S77-Q80 PolarHBondContact O-N 3.29Å
78G90.9Very high93.4Very high56 Ų5663.4 Ų63.458%0.57734%0.338SS*.THydrogen-bonded Turntrans52.3-125.9175.900000112.8Q80 L81 A82G78-Q80 PolarHBondContact O-N 3.29Å; G78-L81 PolarHBondContact O-N 3.06Å; G78-L81 VanDerWaalsContact O-N 3.12Å; G78-A82 PolarHBondContact O-N 3.35Å
79N91.6Very high93.4Very high133 Ų13363.8 Ų63.871%0.71134%0.34SS*.Hα-helixtrans-60.1-29.3-178.3-65.8-7.4000113.2S77 L81 A82 D83S77-N79 PolarHBondContact O-N 3.25Å; N79-L81 VanDerWaalsContact C-N 3.28Å; N79-L81 PolarHBondContact O-N 3.19Å; N79-A82 PolarHBondContact O-N 3.15Å; N79-A82 VanDerWaalsContact O-N 3.12Å; N79-D83 VanDerWaalsContact O-CG 3.28Å; N79-D83 PolarHBondContact O-N 3.22Å
80Q92.8Very high93.5Very high104 Ų10460.9 Ų60.949%0.48633%0.325SS..Hα-helixtrans-63-36.1178.1-60.6177-47.300112L76 S77 G78 F84L76-Q80 HydrophobicContact CB-CB 4.15Å; L76-Q80 HydrophobicContact CD2-CB 4.14Å; S77-Q80 WeakPolarHBondContact O-CB 3.43Å; S77-Q80 PolarHBondContact O-N 3.29Å; G78-Q80 PolarHBondContact O-N 3.29Å; Q80-F84 WeakPolarHBondContact O-CB 3.32Å; Q80-F84 PolarHBondContact O-N 2.85Å
81L93.3Very high93.5Very high26 Ų2655.7 Ų55.714%0.13630%0.3CS..Hα-helixtrans-68.4-41.2174.7-69.2163.6000110.6T57 L76 G78 N79 F84 R85T57-L81 HydrophobicContact CG2-CD2 4.22Å; L76-L81 HydrophobicContact CB-CD2 3.62Å; L76-L81 HydrophobicContact CB-CG 3.89Å; G78-L81 PolarHBondContact O-N 3.06Å; G78-L81 VanDerWaalsContact O-N 3.12Å; N79-L81 VanDerWaalsContact C-N 3.28Å; N79-L81 PolarHBondContact O-N 3.19Å; L81-F84 PolarHBondContact O-N 2.74Å; L81-R85 VanDerWaalsContact O-CB 3.23Å; L81-R85 WeakPolarHBondContact O-CB 2.95Å; L81-R85 PolarHBondContact O-N 2.92Å
82A92.4Very high93.3Very high37 Ų3754.1 Ų54.131%0.30629%0.287SS..Hα-helixtrans-63.1-46.5177.500000111.6G78 N79 R85 S86G78-A82 PolarHBondContact O-N 3.35Å; N79-A82 PolarHBondContact O-N 3.15Å; N79-A82 VanDerWaalsContact O-N 3.12Å; A82-R85 PolarHBondContact O-N 3.13Å; A82-S86 WeakPolarHBondContact O-CB 3.44Å; A82-S86 PolarHBondContact O-N 3.31Å
83D92.5Very high92.7Very high84 Ų8456.8 Ų56.845%0.44930%0.297SS..Hα-helixtrans-64.7-41.5177.7-67-18.2000111.5N79 S86 R87N79-D83 VanDerWaalsContact O-CG 3.28Å; N79-D83 PolarHBondContact O-N 3.22Å; D83-S86 PolarHBondContact O-OG 3.35Å; D83-R87 WeakPolarHBondContact O-CG 3.46Å; D83-R87 PolarHBondContact O-N 3.17Å; D83-R87 PolarHBondContact O-NE 3.23Å
84F94.6Very high91.9Very high13 Ų1358.8 Ų58.86%0.05731%0.306CS..Hα-helixtrans-59.7-55.4175.1-176.3-88.6000110.6T57 I68 A71 V73 L76 Q80 L81 S86 R87 E88 I89T57-F84 HydrophobicContact CG2-CD1 3.96Å; T57-F84 HydrophobicContact CG2-CE1 4.31Å; I68-F84 HydrophobicContact CB-CE1 4.08Å; I68-F84 HydrophobicContact CB-CZ 3.62Å; I68-F84 HydrophobicContact CD1-CE1 4.21Å; I68-F84 HydrophobicContact CG2-CE1 4.13Å; I68-F84 HydrophobicContact CG2-CZ 3.72Å; A71-F84 HydrophobicContact CB-CD2 4.4Å; A71-F84 HydrophobicContact CB-CE2 3.72Å; V73-F84 HydrophobicContact CG1-CD1 3.89Å; V73-F84 HydrophobicContact CG1-CD2 4.31Å; V73-F84 HydrophobicContact CG1-CE1 3.47Å; V73-F84 VanDerWaalsContact CG1-CE1 3.47Å; V73-F84 HydrophobicContact CG1-CE2 3.93Å; V73-F84 HydrophobicContact CG1-CG 4.31Å; V73-F84 HydrophobicContact CG1-CZ 3.52Å; L76-F84 HydrophobicContact CD1-CB 3.82Å; L76-F84 HydrophobicContact CD1-CD2 3.86Å; L76-F84 HydrophobicContact CD1-CG 3.85Å; Q80-F84 WeakPolarHBondContact O-CB 3.32Å; Q80-F84 PolarHBondContact O-N 2.85Å; L81-F84 PolarHBondContact O-N 2.74Å; F84-S86 VanDerWaalsContact C-N 3.29Å; F84-S86 PolarHBondContact O-N 2.78Å; F84-R87 PolarHBondContact O-N 3.05Å; F84-E88 HydrophobicContact CD1-CB 4.2Å; F84-E88 HydrophobicContact CD1-CG 4.46Å; F84-E88 HydrophobicContact CD2-CB 4.49Å; F84-E88 HydrophobicContact CD2-CG 3.89Å; F84-E88 HydrophobicContact CE1-CB 3.71Å; F84-E88 HydrophobicContact CE1-CG 4.15Å; F84-E88 HydrophobicContact CE2-CB 4.04Å; F84-E88 HydrophobicContact CE2-CG 3.55Å; F84-E88 HydrophobicContact CG-CG 4.31Å; F84-E88 HydrophobicContact CZ-CB 3.59Å; F84-E88 HydrophobicContact CZ-CG 3.65Å; F84-E88 WeakPolarHBondContact O-CB 3.39Å; F84-E88 PolarHBondContact O-N 3.25Å; F84-I89 HydrophobicContact CD1-CD1 4.31Å; F84-I89 HydrophobicContact CE1-CD1 4.08Å; F84-I89 HydrophobicContact CE1-CG1 4.21Å
85R94.3Very high91.3Very high92 Ų9262.4 Ų62.435%0.34732%0.324SS..Hα-helixtrans-56.7-42.5179.4-178.5174.550.4172.2-5.5112.2A56 L81 A82 R87 I89 F91A56-R85 WeakPolarHBondContact O-CD 3.23Å; L81-R85 VanDerWaalsContact O-CB 3.23Å; L81-R85 WeakPolarHBondContact O-CB 2.95Å; L81-R85 PolarHBondContact O-N 2.92Å; A82-R85 PolarHBondContact O-N 3.13Å; R85-R87 PolarHBondContact O-N 3.43Å; R85-I89 HydrophobicContact CG-CB 4.49Å; R85-I89 PolarHBondContact O-N 2.89Å; R85-I89 VanDerWaalsContact O-O 3.04Å; R85-F91 HydrophobicContact CG-CE2 4.4Å
86S92.7Very high91Very high41 Ų4155.8 Ų55.829%0.28730%0.295SS..Hα-helixtrans-62.7-28.3-179.4770000113.2A82 D83 F84 Q115 T162A82-S86 WeakPolarHBondContact O-CB 3.44Å; A82-S86 PolarHBondContact O-N 3.31Å; D83-S86 PolarHBondContact O-OG 3.35Å; F84-S86 VanDerWaalsContact C-N 3.29Å; F84-S86 PolarHBondContact O-N 2.78Å; S86-Q115 PolarHBondContact O-NE2 2.92Å; S86-T162 WeakPolarHBondContact O-CG2 3.49Å
87R93.6Very high90.8Very high129 Ų12958.2 Ų58.249%0.48731%0.309SS..Hα-helixtrans-98.6-43.8-175.2-70.5180-71-173.71112.7D83 F84 R85D83-R87 WeakPolarHBondContact O-CG 3.46Å; D83-R87 PolarHBondContact O-N 3.17Å; D83-R87 PolarHBondContact O-NE 3.23Å; F84-R87 PolarHBondContact O-N 3.05Å; R85-R87 PolarHBondContact O-N 3.43Å
88E95.4Very high90.9Very high39 Ų3956 Ų5618%0.18229%0.292CS..Hα-helixtrans-100.1-16.5-164.2-59.8-65.7151.500113.4N69 F84 P164 T165 I166N69-E88 WeakPolarHBondContact CB-OE2 3.45Å; N69-E88 PolarHBondContact ND2-OE2 2.93Å; F84-E88 HydrophobicContact CD1-CB 4.2Å; F84-E88 HydrophobicContact CD1-CG 4.46Å; F84-E88 HydrophobicContact CD2-CB 4.49Å; F84-E88 HydrophobicContact CD2-CG 3.89Å; F84-E88 HydrophobicContact CE1-CB 3.71Å; F84-E88 HydrophobicContact CE1-CG 4.15Å; F84-E88 HydrophobicContact CE2-CB 4.04Å; F84-E88 HydrophobicContact CE2-CG 3.55Å; F84-E88 HydrophobicContact CG-CG 4.31Å; F84-E88 HydrophobicContact CZ-CB 3.59Å; F84-E88 HydrophobicContact CZ-CG 3.65Å; F84-E88 WeakPolarHBondContact O-CB 3.39Å; F84-E88 PolarHBondContact O-N 3.25Å; E88-P164 WeakPolarHBondContact O-CB 3.46Å; E88-T165 PolarHBondContact O-N 2.92Å; E88-T165 PolarHBondContact OE2-OG1 3.18Å; E88-I166 PolarHBondContact O-N 3.45Å
89I95.9Very high91.2Very high9 Ų957.1 Ų57.15%0.04628%0.284CS..EExtended strand (participates in β ladder)trans-126.8122.2-172-51.4178.7000110.2L55 T57 I68 F84 R85 F91 L168L55-I89 VanDerWaalsContact O-CD1 3.25Å; L55-I89 WeakPolarHBondContact O-CD1 3.3Å; T57-I89 HydrophobicContact CG2-CD1 4.13Å; I68-I89 HydrophobicContact CD1-CD1 4.41Å; F84-I89 HydrophobicContact CD1-CD1 4.31Å; F84-I89 HydrophobicContact CE1-CD1 4.08Å; F84-I89 HydrophobicContact CE1-CG1 4.21Å; R85-I89 HydrophobicContact CG-CB 4.49Å; R85-I89 PolarHBondContact O-N 2.89Å; R85-I89 VanDerWaalsContact O-O 3.04Å; I89-F91 HydrophobicContact CB-CE2 4.29Å; I89-F91 HydrophobicContact CG2-CD2 4.05Å; I89-F91 HydrophobicContact CG2-CE2 3.37Å; I89-F91 HydrophobicContact CG2-CZ 3.68Å; I89-L168 HydrophobicContact CG2-CD1 3.59Å; I89-L168 HydrophobicContact CG2-CG 3.88Å
90G95.1Very high91.4Very high4 Ų455.8 Ų55.84%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-101.6150167.200000110.9P164 I166 L167 L168G90-P164 VanDerWaalsContact N-CB 3.31Å; G90-I166 PolarHBondContact N-O 3.17Å; G90-L167 WeakPolarHBondContact O-CA 3.48Å; G90-L168 PolarHBondContact O-N 3.32Å
91F92.6Very high91.6Very high41 Ų4156.7 Ų56.718%0.1828%0.282CS..EExtended strand (participates in β ladder)trans-122.2133.6178.2-78.6-84.4000111.8A56 R85 I89 F93 A159 L168A56-F91 HydrophobicContact CB-CE1 4Å; A56-F91 HydrophobicContact CB-CE2 4.45Å; A56-F91 HydrophobicContact CB-CZ 3.4Å; R85-F91 HydrophobicContact CG-CE2 4.4Å; I89-F91 HydrophobicContact CB-CE2 4.29Å; I89-F91 HydrophobicContact CG2-CD2 4.05Å; I89-F91 HydrophobicContact CG2-CE2 3.37Å; I89-F91 HydrophobicContact CG2-CZ 3.68Å; F91-F93 HydrophobicContact CB-CD2 4.28Å; F91-F93 HydrophobicContact CB-CE1 4.2Å; F91-F93 HydrophobicContact CB-CE2 3.55Å; F91-F93 HydrophobicContact CB-CZ 3.5Å; F91-F93 HydrophobicContact CD1-CZ 4.49Å; F91-F93 HydrophobicContact CG-CZ 4.03Å; F91-A159 VanDerWaalsContact O-CB 3.3Å; F91-A159 WeakPolarHBondContact O-CB 3.48Å; F91-L168 WeakPolarHBondContact CA-O 3.4Å; F91-L168 HydrophobicContact CD1-CB 3.95Å; F91-L168 HydrophobicContact CE1-CB 3.66Å; F91-L168 HydrophobicContact CE1-CD1 3.97Å; F91-L168 HydrophobicContact CE1-CG 4.41Å; F91-L168 HydrophobicContact CZ-CB 4.23Å; F91-L168 HydrophobicContact CZ-CD1 3.82Å
92I90.9Very high91.8Very high5 Ų557.2 Ų57.23%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-104.5124.5165.6-59.5-62.1000107.7A156 A159 L168 P172 L184 M188I92-A156 HydrophobicContact CD1-CB 4.09Å; I92-A159 HydrophobicContact CD1-CB 3.65Å; I92-A159 HydrophobicContact CG1-CB 4.47Å; I92-L168 PolarHBondContact N-O 3.22Å; I92-P172 HydrophobicContact CG2-CB 3.96Å; I92-L184 HydrophobicContact CG2-CD1 3.83Å; I92-L184 HydrophobicContact CG2-CD2 4.12Å; I92-M188 HydrophobicContact CG2-SD 4.5Å
93F83.9Confident92.1Very high81 Ų8156.3 Ų56.336%0.35528%0.275SS..  trans-109.8146.8179.4-59.6-79.8000110.1F91 F96 N97F91-F93 HydrophobicContact CB-CD2 4.28Å; F91-F93 HydrophobicContact CB-CE1 4.2Å; F91-F93 HydrophobicContact CB-CE2 3.55Å; F91-F93 HydrophobicContact CB-CZ 3.5Å; F91-F93 HydrophobicContact CD1-CZ 4.49Å; F91-F93 HydrophobicContact CG-CZ 4.03Å; F93-F96 PolarHBondContact O-N 3.32Å; F93-N97 HydrophobicContact CB-CB 4.42Å; F93-N97 HydrophobicContact CD2-CB 4.22Å; F93-N97 HydrophobicContact CG-CB 4.41Å; F93-N97 VanDerWaalsContact CG-ND2 3.34Å; F93-N97 WeakPolarHBondContact CG-ND2 3.5Å
94Q76.8Confident92.4Very high49 Ų4952.3 Ų52.323%0.22925%0.254CS..THydrogen-bonded Turntrans-57.6-49.2178-173.1-162.7-8900113.1F96 E171 P172 A175 L176Q94-F96 PolarHBondContact O-N 3.45Å; Q94-E171 PolarHBondContact OE1-O 3.08Å; Q94-P172 VanDerWaalsContact CA-O 3.29Å; Q94-P172 WeakPolarHBondContact CA-O 3.35Å; Q94-A175 HydrophobicContact CG-CB 4.2Å; Q94-L176 HydrophobicContact CG-CG 4.48Å
95D81.2Confident92.6Very high110 Ų11052.8 Ų52.859%0.58826%0.26SS*.THydrogen-bonded Turntrans-85.414.2-178.4-59.2-18.3000112.6N97D95-N97 PolarHBondContact O-N 2.89Å
96F85.2Confident92.8Very high21 Ų2152.5 Ų52.59%0.09226%0.263CS..THydrogen-bonded Turntrans60.2-23.5-174.2-45-43.5000115.1F93 Q94 L98 K151 Q152 A155 R158 L176F93-F96 PolarHBondContact O-N 3.32Å; Q94-F96 PolarHBondContact O-N 3.45Å; F96-L98 HydrophobicContact CB-CG 4.09Å; F96-L98 PolarHBondContact O-N 2.84Å; F96-L98 VanDerWaalsContact O-N 3.16Å; F96-K151 HydrophobicContact CD2-CB 3.67Å; F96-K151 HydrophobicContact CD2-CD 4.35Å; F96-K151 HydrophobicContact CE2-CB 4.09Å; F96-K151 HydrophobicContact CG-CB 4.37Å; F96-Q152 HydrophobicContact CD1-CB 4.16Å; F96-Q152 HydrophobicContact CD1-CG 4.34Å; F96-Q152 HydrophobicContact CE1-CB 3.67Å; F96-Q152 HydrophobicContact CE1-CG 3.75Å; F96-Q152 HydrophobicContact CZ-CB 3.87Å; F96-Q152 HydrophobicContact CZ-CG 4.31Å; F96-A155 HydrophobicContact CB-CB 3.96Å; F96-A155 HydrophobicContact CD1-CB 4.49Å; F96-R158 PolarHBondContact O-NH2 3.21Å; F96-L176 HydrophobicContact CE1-CD1 4.24Å; F96-L176 HydrophobicContact CE1-CD2 4.24Å; F96-L176 HydrophobicContact CZ-CD1 4.39Å; F96-L176 HydrophobicContact CZ-CD2 3.81Å
97N89.3Confident93.1Very high85 Ų8550.6 Ų50.646%0.45525%0.249SC..THydrogen-bonded Turntrans47.439-179.3-73.3-20.2000112.9F93 D95 R158F93-N97 HydrophobicContact CB-CB 4.42Å; F93-N97 HydrophobicContact CD2-CB 4.22Å; F93-N97 HydrophobicContact CG-CB 4.41Å; F93-N97 VanDerWaalsContact CG-ND2 3.34Å; F93-N97 WeakPolarHBondContact CG-ND2 3.5Å; D95-N97 PolarHBondContact O-N 2.89Å; N97-R158 PolarHBondContact O-NH1 3.42Å; N97-R158 PolarHBondContact O-NH2 3.09Å
98L94.4Very high93.3Very high17 Ų1744.4 Ų44.49%0.08923%0.226CC..  trans-73.4141.4175.6-59.3-173.8000110.1F96 E100 N107 P143 K151 V154 A155F96-L98 HydrophobicContact CB-CG 4.09Å; F96-L98 PolarHBondContact O-N 2.84Å; F96-L98 VanDerWaalsContact O-N 3.16Å; L98-E100 PolarHBondContact O-N 3.12Å; L98-N107 WeakPolarHBondContact CA-OD1 3.26Å; L98-N107 HydrophobicContact CD2-CB 4.33Å; L98-P143 HydrophobicContact CB-CB 4.28Å; L98-P143 HydrophobicContact CB-CG 3.87Å; L98-P143 HydrophobicContact CD1-CB 4.2Å; L98-P143 HydrophobicContact CD1-CG 4.15Å; L98-K151 HydrophobicContact CD1-CB 3.82Å; L98-K151 HydrophobicContact CD1-CG 4.06Å; L98-V154 HydrophobicContact CD1-CB 4.13Å; L98-V154 HydrophobicContact CD1-CG1 3.93Å; L98-V154 HydrophobicContact CD2-CB 4.47Å; L98-V154 HydrophobicContact CD2-CG1 3.81Å; L98-A155 HydrophobicContact CD2-CB 4.14Å
99L96.6Very high93.4Very high80 Ų8043 Ų4342%0.41922%0.221SC..  trans-78.1108.9172.8-62.8174.1000107.9N101 L102 N107 V110L99-N101 PolarHBondContact O-N 2.91Å; L99-L102 HydrophobicContact CB-CB 4.13Å; L99-L102 HydrophobicContact CB-CD1 3.9Å; L99-L102 HydrophobicContact CB-CG 3.88Å; L99-L102 HydrophobicContact CD1-CD1 3.48Å; L99-L102 VanDerWaalsContact CD1-CD1 3.48Å; L99-L102 HydrophobicContact CD1-CG 4.29Å; L99-L102 HydrophobicContact CG-CD1 4.32Å; L99-L102 PolarHBondContact O-N 2.88Å; L99-N107 PolarHBondContact N-OD1 3.12Å; L99-N107 PolarHBondContact O-ND2 2.87Å; L99-V110 HydrophobicContact CD1-CG2 4.16Å
100E96.1Very high93.4Very high104 Ų10444.5 Ų44.549%0.48623%0.23SC..THydrogen-bonded Turntrans-62-24.7-173.4-66.6-65.7149.100113.5L98 L102 P143 K151L98-E100 PolarHBondContact O-N 3.12Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-P143 WeakPolarHBondContact OE2-CB 3.35Å; E100-K151 IonicContact OE1-NZ 3.96Å
101N96.9Very high93.5Very high123 Ų12345.7 Ų45.766%0.65824%0.237SC*.THydrogen-bonded Turntrans-89.33.8177.667.6-35.8000113.9L99L99-N101 PolarHBondContact O-N 2.91Å
102L98.3Very high93.6Very high38 Ų3844.3 Ų44.320%0.19923%0.232CC..SBendtrans-116.2145.9176.1-63.3-170000109.9L99 E100 E106 N107 V110 P143L99-L102 HydrophobicContact CB-CB 4.13Å; L99-L102 HydrophobicContact CB-CD1 3.9Å; L99-L102 HydrophobicContact CB-CG 3.88Å; L99-L102 HydrophobicContact CD1-CD1 3.48Å; L99-L102 VanDerWaalsContact CD1-CD1 3.48Å; L99-L102 HydrophobicContact CD1-CG 4.29Å; L99-L102 HydrophobicContact CG-CD1 4.32Å; L99-L102 PolarHBondContact O-N 2.88Å; E100-L102 VanDerWaalsContact C-N 3.34Å; L102-E106 HydrophobicContact CB-CB 3.81Å; L102-E106 HydrophobicContact CD1-CB 4.21Å; L102-E106 HydrophobicContact CD2-CB 4.32Å; L102-E106 HydrophobicContact CG-CB 4.34Å; L102-N107 WeakPolarHBondContact CB-ND2 3.48Å; L102-N107 PolarHBondContact O-ND2 3.05Å; L102-V110 HydrophobicContact CD1-CG2 4.03Å; L102-P143 WeakPolarHBondContact O-CD 3.46Å
103T98.5Very high93.9Very high17 Ų1747.2 Ų47.210%0.10425%0.253CS..  trans-64.3167.9169.8600000111.7A105 E106 N107 N140 S141 Y142T103-A105 VanDerWaalsContact C-N 3.31Å; T103-A105 PolarHBondContact O-N 3.16Å; T103-E106 WeakPolarHBondContact CB-OE2 3.5Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.4Å; T103-E106 PolarHBondContact N-OE2 2.83Å; T103-E106 PolarHBondContact O-N 3.21Å; T103-E106 WeakPolarHBondContact OG1-CB 3.47Å; T103-E106 VanDerWaalsContact OG1-CD 3.29Å; T103-E106 VanDerWaalsContact OG1-CG 3.26Å; T103-E106 WeakPolarHBondContact OG1-CG 3.47Å; T103-E106 PolarHBondContact OG1-N 3.21Å; T103-E106 PolarHBondContact OG1-OE2 2.85Å; T103-N107 WeakPolarHBondContact O-CB 3.21Å; T103-N107 PolarHBondContact O-N 2.9Å; T103-N107 PolarHBondContact O-ND2 3.2Å; T103-N140 WeakPolarHBondContact CG2-O 3.11Å; T103-S141 CarbonylContact C-O 3.5Å; T103-S141 WeakPolarHBondContact CA-O 3.46Å; T103-Y142 HydrophobicContact CG2-CD1 4.43Å; T103-Y142 HydrophobicContact CG2-CE1 4.06Å; T103-Y142 HydrophobicContact CG2-CE2 4.17Å
104A98.4Very high94.3Very high1 Ų150.4 Ų50.41%0.00827%0.272CS..Hα-helixtrans-56.2-44.3172.900000111.9E106 N107 I108 I138 S141 V154A104-E106 PolarHBondContact O-N 3.36Å; A104-N107 PolarHBondContact O-N 2.74Å; A104-I108 WeakPolarHBondContact O-CB 3.28Å; A104-I108 WeakPolarHBondContact O-CD1 3.3Å; A104-I108 WeakPolarHBondContact O-CG1 3.35Å; A104-I108 PolarHBondContact O-N 3.03Å; A104-I138 WeakPolarHBondContact CB-O 3.3Å; A104-S141 PolarHBondContact N-O 3.44Å; A104-V154 HydrophobicContact CB-CG1 4.15Å; A104-V154 HydrophobicContact CB-CG2 3.69Å
105A98.6Very high95Very high22 Ų2251.5 Ų51.518%0.18228%0.278CS..Hα-helixtrans-60.2-45176.700000112.3T103 I108 A109 V126 L139T103-A105 VanDerWaalsContact C-N 3.31Å; T103-A105 PolarHBondContact O-N 3.16Å; A105-I108 PolarHBondContact O-N 3.42Å; A105-A109 VanDerWaalsContact O-CB 3.31Å; A105-A109 WeakPolarHBondContact O-CB 3.34Å; A105-A109 PolarHBondContact O-N 2.99Å; A105-V126 HydrophobicContact CB-CG1 4.07Å; A105-L139 HydrophobicContact CB-CB 4.14Å; A105-L139 HydrophobicContact CB-CD2 4Å; A105-L139 VanDerWaalsContact CB-O 3.25Å; A105-L139 WeakPolarHBondContact CB-O 3.43Å; A105-L139 PolarHBondContact N-O 3.26Å
106E98.4Very high95.6Very high87 Ų8749.2 Ų49.241%0.40728%0.28SS..Hα-helixtrans-68.1-41.8-179.9-72.4166.6140.400111.6L102 T103 A104 I108 A109 V110L102-E106 HydrophobicContact CB-CB 3.81Å; L102-E106 HydrophobicContact CD1-CB 4.21Å; L102-E106 HydrophobicContact CD2-CB 4.32Å; L102-E106 HydrophobicContact CG-CB 4.34Å; T103-E106 WeakPolarHBondContact CB-OE2 3.5Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.4Å; T103-E106 PolarHBondContact N-OE2 2.83Å; T103-E106 PolarHBondContact O-N 3.21Å; T103-E106 WeakPolarHBondContact OG1-CB 3.47Å; T103-E106 VanDerWaalsContact OG1-CD 3.29Å; T103-E106 VanDerWaalsContact OG1-CG 3.26Å; T103-E106 WeakPolarHBondContact OG1-CG 3.47Å; T103-E106 PolarHBondContact OG1-N 3.21Å; T103-E106 PolarHBondContact OG1-OE2 2.85Å; A104-E106 PolarHBondContact O-N 3.36Å; E106-I108 VanDerWaalsContact C-N 3.33Å; E106-I108 PolarHBondContact O-N 3.44Å; E106-A109 PolarHBondContact O-N 3.48Å; E106-A109 VanDerWaalsContact O-N 3.15Å; E106-V110 WeakPolarHBondContact O-CG2 3.31Å; E106-V110 PolarHBondContact O-N 2.8Å; E106-V110 VanDerWaalsContact O-N 3.15Å
107N98.2Very high96.1Very high0 Ų049.6 Ų49.60%029%0.287CS..Hα-helixtrans-55.8-48.8172.2-92.5-78.1000111.4L98 L99 L102 T103 A104 A109 V110 V154 R158L98-N107 WeakPolarHBondContact CA-OD1 3.26Å; L98-N107 HydrophobicContact CD2-CB 4.33Å; L99-N107 PolarHBondContact N-OD1 3.12Å; L99-N107 PolarHBondContact O-ND2 2.87Å; L102-N107 WeakPolarHBondContact CB-ND2 3.48Å; L102-N107 PolarHBondContact O-ND2 3.05Å; T103-N107 WeakPolarHBondContact O-CB 3.21Å; T103-N107 PolarHBondContact O-N 2.9Å; T103-N107 PolarHBondContact O-ND2 3.2Å; A104-N107 PolarHBondContact O-N 2.74Å; N107-A109 VanDerWaalsContact C-N 3.27Å; N107-A109 PolarHBondContact O-N 2.73Å; N107-V110 PolarHBondContact O-N 2.79Å; N107-V154 HydrophobicContact CB-CG1 4.05Å; N107-R158 WeakPolarHBondContact O-CD 3.38Å; N107-R158 VanDerWaalsContact O-CG 3.26Å; N107-R158 WeakPolarHBondContact O-CG 3.48Å
108I98Very high96.5Very high0 Ų053.6 Ų53.60%030%0.301CS..Hα-helixtrans-62.5-38.3178.5-66.3163.5000110.3A104 A105 E106 V110 P111 V126 V129 I135 L139 V154 A157 I161A104-I108 WeakPolarHBondContact O-CB 3.28Å; A104-I108 WeakPolarHBondContact O-CD1 3.3Å; A104-I108 WeakPolarHBondContact O-CG1 3.35Å; A104-I108 PolarHBondContact O-N 3.03Å; A105-I108 PolarHBondContact O-N 3.42Å; E106-I108 VanDerWaalsContact C-N 3.33Å; E106-I108 PolarHBondContact O-N 3.44Å; I108-V110 PolarHBondContact O-N 3.31Å; I108-P111 WeakPolarHBondContact O-CD 3.39Å; I108-V126 HydrophobicContact CG2-CB 4.49Å; I108-V126 HydrophobicContact CG2-CG1 4.35Å; I108-V126 HydrophobicContact CG2-CG2 4.09Å; I108-V129 HydrophobicContact CG2-CG1 3.64Å; I108-I135 HydrophobicContact CD1-CD1 3.92Å; I108-L139 HydrophobicContact CD1-CD2 4.15Å; I108-V154 HydrophobicContact CD1-CG1 4.26Å; I108-V154 HydrophobicContact CG1-CG1 3.98Å; I108-A157 HydrophobicContact CD1-CB 3.61Å; I108-A157 HydrophobicContact CG1-CB 3.66Å; I108-A157 HydrophobicContact CG2-CB 4.11Å; I108-I161 HydrophobicContact CG2-CB 4.28Å; I108-I161 HydrophobicContact CG2-CD1 3.9Å; I108-I161 HydrophobicContact CG2-CG1 4.25Å; I108-I161 VanDerWaalsContact O-CD1 3.24Å; I108-I161 WeakPolarHBondContact O-CD1 3.33Å; I108-I161 WeakPolarHBondContact O-CG2 3.36Å
109A98Very high96.6Very high10 Ų1056.2 Ų56.28%0.08332%0.32CS..Hα-helixtrans-70.7-23.6-177.800000115.3A105 E106 N107 P111 L112 S113 I122 V126A105-A109 VanDerWaalsContact O-CB 3.31Å; A105-A109 WeakPolarHBondContact O-CB 3.34Å; A105-A109 PolarHBondContact O-N 2.99Å; E106-A109 PolarHBondContact O-N 3.48Å; E106-A109 VanDerWaalsContact O-N 3.15Å; N107-A109 VanDerWaalsContact C-N 3.27Å; N107-A109 PolarHBondContact O-N 2.73Å; A109-P111 VanDerWaalsContact C-CD 3.49Å; A109-P111 VanDerWaalsContact O-N 3.16Å; A109-L112 PolarHBondContact O-N 2.79Å; A109-L112 VanDerWaalsContact O-N 3.07Å; A109-S113 PolarHBondContact O-N 3.49Å; A109-S113 PolarHBondContact O-OG 3.02Å; A109-I122 HydrophobicContact CB-CG2 3.46Å; A109-I122 VanDerWaalsContact CB-CG2 3.46Å; A109-V126 HydrophobicContact CB-CG2 4.05Å
110V96.6Very high96.7Very high39 Ų3961.2 Ų61.224%0.23634%0.338CS..Hα-helixtrans-45.2-50.6-171.9171.70000113.6L99 L102 E106 N107 I108 L112 S113 L114L99-V110 HydrophobicContact CD1-CG2 4.16Å; L102-V110 HydrophobicContact CD1-CG2 4.03Å; E106-V110 WeakPolarHBondContact O-CG2 3.31Å; E106-V110 PolarHBondContact O-N 2.8Å; E106-V110 VanDerWaalsContact O-N 3.15Å; N107-V110 PolarHBondContact O-N 2.79Å; I108-V110 PolarHBondContact O-N 3.31Å; V110-L112 PolarHBondContact O-N 2.81Å; V110-S113 WeakPolarHBondContact O-CB 3.21Å; V110-S113 PolarHBondContact O-N 2.92Å; V110-L114 HydrophobicContact CG1-CD1 3.88Å; V110-L114 HydrophobicContact CG1-CG 4.27Å; V110-L114 WeakPolarHBondContact O-CG 3.44Å; V110-L114 PolarHBondContact O-N 3.41Å
111P95.6Very high96.7Very high29 Ų2959 Ų5919%0.18833%0.332CS..Hα-helixtrans-60.5-42.1-177.2-25.737.4000113.5I108 A109 L114 Q115 R158 I161 T162I108-P111 WeakPolarHBondContact O-CD 3.39Å; A109-P111 VanDerWaalsContact C-CD 3.49Å; A109-P111 VanDerWaalsContact O-N 3.16Å; P111-L114 PolarHBondContact O-N 3.38Å; P111-Q115 WeakPolarHBondContact O-CG 3.36Å; P111-Q115 PolarHBondContact O-N 3.07Å; P111-R158 HydrophobicContact CG-CG 3.83Å; P111-I161 HydrophobicContact CB-CG2 3.96Å; P111-I161 HydrophobicContact CG-CG2 3.92Å; P111-T162 HydrophobicContact CB-CG2 3.53Å
112L96.5Very high96.8Very high13 Ų1353.8 Ų53.87%0.06830%0.304CS..Hα-helixtrans-73.3-33.9178.3-70.4-174.9000112.2A109 V110 L114 Q115 G116 A117 I122 R125 I161 T162A109-L112 PolarHBondContact O-N 2.79Å; A109-L112 VanDerWaalsContact O-N 3.07Å; V110-L112 PolarHBondContact O-N 2.81Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L112-Q115 PolarHBondContact O-N 3.47Å; L112-G116 PolarHBondContact O-N 3.29Å; L112-A117 HydrophobicContact CB-CB 3.96Å; L112-A117 VanDerWaalsContact O-CB 3.28Å; L112-A117 WeakPolarHBondContact O-CB 3.29Å; L112-A117 PolarHBondContact O-N 3.17Å; L112-I122 HydrophobicContact CB-CD1 4.29Å; L112-I122 HydrophobicContact CB-CG1 3.86Å; L112-I122 HydrophobicContact CD1-CG1 4.37Å; L112-R125 HydrophobicContact CD1-CB 3.78Å; L112-R125 HydrophobicContact CD1-CG 3.87Å; L112-I161 HydrophobicContact CB-CD1 4.49Å; L112-I161 HydrophobicContact CD1-CD1 3.52Å; L112-I161 HydrophobicContact CD1-CG1 3.73Å; L112-I161 HydrophobicContact CG-CD1 3.91Å; L112-I161 HydrophobicContact CG-CG1 4.15Å; L112-I161 HydrophobicContact CG-CG2 4.24Å; L112-T162 HydrophobicContact CD2-CG2 4.06Å
113S95.6Very high96.8Very high66 Ų6658 Ų5846%0.46232%0.322SS..Hα-helixtrans-61.1-42.6173.3-63.40000111.2A109 V110 Q115 G116A109-S113 PolarHBondContact O-N 3.49Å; A109-S113 PolarHBondContact O-OG 3.02Å; V110-S113 WeakPolarHBondContact O-CB 3.21Å; V110-S113 PolarHBondContact O-N 2.92Å; S113-Q115 VanDerWaalsContact C-N 3.27Å; S113-Q115 PolarHBondContact O-N 3.17Å; S113-G116 PolarHBondContact O-N 2.92Å
114L92.5Very high96.7Very high147 Ų14763.8 Ų63.877%0.7734%0.342SS*.Hα-helixtrans-66.2-27.5176.3-68.5174.7000113.1V110 P111 L112 G116V110-L114 HydrophobicContact CG1-CD1 3.88Å; V110-L114 HydrophobicContact CG1-CG 4.27Å; V110-L114 WeakPolarHBondContact O-CG 3.44Å; V110-L114 PolarHBondContact O-N 3.41Å; P111-L114 PolarHBondContact O-N 3.38Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L114-G116 PolarHBondContact O-N 3.46Å
115Q92.2Very high96.7Very high72 Ų7266.5 Ų66.534%0.33635%0.352SS..THydrogen-bonded Turntrans-79.6-1.6172.4-67173.919.200113.5S86 P111 L112 S113 A117 T162S86-Q115 PolarHBondContact O-NE2 2.92Å; P111-Q115 WeakPolarHBondContact O-CG 3.36Å; P111-Q115 PolarHBondContact O-N 3.07Å; L112-Q115 PolarHBondContact O-N 3.47Å; S113-Q115 VanDerWaalsContact C-N 3.27Å; S113-Q115 PolarHBondContact O-N 3.17Å; Q115-A117 VanDerWaalsContact C-N 3.3Å; Q115-A117 PolarHBondContact O-N 2.99Å; Q115-T162 VanDerWaalsContact NE2-CG2 3.35Å
116G93.8Very high96.7Very high62 Ų6265.8 Ų65.864%0.63935%0.346SS*.THydrogen-bonded Turntrans70.324.4-176.600000113.8L112 S113 L114L112-G116 PolarHBondContact O-N 3.29Å; S113-G116 PolarHBondContact O-N 2.92Å; L114-G116 PolarHBondContact O-N 3.46Å
117A96Very high96.7Very high29 Ų2964 Ų6424%0.2435%0.346CS..  trans-63.8144177.900000111.2L112 Q115 I122L112-A117 HydrophobicContact CB-CB 3.96Å; L112-A117 VanDerWaalsContact O-CB 3.28Å; L112-A117 WeakPolarHBondContact O-CB 3.29Å; L112-A117 PolarHBondContact O-N 3.17Å; Q115-A117 VanDerWaalsContact C-N 3.3Å; Q115-A117 PolarHBondContact O-N 2.99Å; A117-I122 HydrophobicContact CB-CD1 4.2Å; A117-I122 HydrophobicContact CB-CG1 3.89Å; A117-I122 WeakPolarHBondContact O-CD1 3.19Å
118K97.6Very high96.6Very high170 Ų17068 Ų6874%0.73937%0.365SS*.  trans-64.5139.6178.5-64.2-176.3-179.4-179.40110.5K120 V121 I122K118-K120 PolarHBondContact O-N 3.39Å; K118-K120 VanDerWaalsContact O-N 3.09Å; K118-V121 HydrophobicContact CB-CG2 4.37Å; K118-V121 WeakPolarHBondContact O-CA 3.33Å; K118-V121 WeakPolarHBondContact O-CB 3.38Å; K118-V121 PolarHBondContact O-N 3.09Å; K118-I122 PolarHBondContact O-N 3.44Å
119S96.9Very high96.5Very high72 Ų7268.6 Ų68.650%0.50337%0.368SS..Hα-helixtrans-48.2-42179.1172.80000113.8V121 I122 H123S119-V121 VanDerWaalsContact C-N 3.3Å; S119-V121 PolarHBondContact O-N 3.45Å; S119-I122 PolarHBondContact O-N 3.32Å; S119-H123 PolarHBondContact O-N 3.24Å; S119-H123 PolarHBondContact O-ND1 3.21Å; S119-H123 PolarHBondContact OG-CE1 3.31Å; S119-H123 PolarHBondContact OG-ND1 3.48Å
120K97.4Very high96.4Very high184 Ų18468.1 Ų68.180%0.836%0.364SS*.Hα-helixtrans-59.5-38175.9-173.4175.9-178.8176.90113.2K118 R124K118-K120 PolarHBondContact O-N 3.39Å; K118-K120 VanDerWaalsContact O-N 3.09Å; K120-R124 WeakPolarHBondContact O-CB 3.32Å; K120-R124 PolarHBondContact O-N 3.06Å
121V97.3Very high96.4Very high57 Ų5773.6 Ų73.635%0.34539%0.385SS..Hα-helixtrans-70.7-44.3176.7178.50000109.8K118 S119 R124 R125K118-V121 HydrophobicContact CB-CG2 4.37Å; K118-V121 WeakPolarHBondContact O-CA 3.33Å; K118-V121 WeakPolarHBondContact O-CB 3.38Å; K118-V121 PolarHBondContact O-N 3.09Å; S119-V121 VanDerWaalsContact C-N 3.3Å; S119-V121 PolarHBondContact O-N 3.45Å; V121-R124 PolarHBondContact O-N 3.01Å; V121-R125 HydrophobicContact CG1-CG 4.23Å; V121-R125 WeakPolarHBondContact O-CB 3.32Å; V121-R125 VanDerWaalsContact O-CG 3.3Å; V121-R125 WeakPolarHBondContact O-CG 3.42Å; V121-R125 PolarHBondContact O-N 3.45Å
122I98Very high96.1Very high14 Ų1476.8 Ų76.87%0.07239%0.393CS..Hα-helixtrans-57.8-56.1178.2-64177.7000110.4A109 L112 A117 K118 S119 R124 R125 V126A109-I122 HydrophobicContact CB-CG2 3.46Å; A109-I122 VanDerWaalsContact CB-CG2 3.46Å; L112-I122 HydrophobicContact CB-CD1 4.29Å; L112-I122 HydrophobicContact CB-CG1 3.86Å; L112-I122 HydrophobicContact CD1-CG1 4.37Å; A117-I122 HydrophobicContact CB-CD1 4.2Å; A117-I122 HydrophobicContact CB-CG1 3.89Å; A117-I122 WeakPolarHBondContact O-CD1 3.19Å; K118-I122 PolarHBondContact O-N 3.44Å; S119-I122 PolarHBondContact O-N 3.32Å; I122-R124 VanDerWaalsContact C-N 3.27Å; I122-R124 PolarHBondContact O-N 3.02Å; I122-R125 PolarHBondContact O-N 3.22Å; I122-V126 HydrophobicContact CG2-CG2 4.04Å; I122-V126 VanDerWaalsContact O-CG2 3.28Å; I122-V126 WeakPolarHBondContact O-CG2 3.29Å; I122-V126 PolarHBondContact O-N 3.38Å
123H97.8Very high95.9Very high126 Ų12676.6 Ų76.658%0.58339%0.392SS*.Hα-helixtrans-56.7-41.4-178.9-67.5138.9000112.5S119 A127S119-H123 PolarHBondContact O-N 3.24Å; S119-H123 PolarHBondContact O-ND1 3.21Å; S119-H123 PolarHBondContact OG-CE1 3.31Å; S119-H123 PolarHBondContact OG-ND1 3.48Å; H123-A127 WeakPolarHBondContact O-CB 3.28Å; H123-A127 PolarHBondContact O-N 2.77Å
124R97.9Very high95.8Very high139 Ų13977.5 Ų77.553%0.52540%0.399SS..Hα-helixtrans-62.3-48.7176-170.1-170.868.9-161.8-4.8111.3K120 V121 I122 A127 E128K120-R124 WeakPolarHBondContact O-CB 3.32Å; K120-R124 PolarHBondContact O-N 3.06Å; V121-R124 PolarHBondContact O-N 3.01Å; I122-R124 VanDerWaalsContact C-N 3.27Å; I122-R124 PolarHBondContact O-N 3.02Å; R124-A127 PolarHBondContact O-N 3.27Å; R124-E128 WeakPolarHBondContact CD-OE1 3.32Å; R124-E128 WeakPolarHBondContact CG-OE1 3.41Å; R124-E128 IonicContact NE-OE1 2.85Å; R124-E128 PolarHBondContact NE-OE1 3.24Å; R124-E128 WeakPolarHBondContact O-CG 3.46Å; R124-E128 PolarHBondContact O-N 2.98Å
125R97.5Very high96Very high58 Ų5870.7 Ų70.722%0.21936%0.363CS..Hα-helixtrans-63.7-41.3179.9-72.3-63.8-162-168.516.3112.5L112 V121 I122 E128 V129 I161 Q163L112-R125 HydrophobicContact CD1-CB 3.78Å; L112-R125 HydrophobicContact CD1-CG 3.87Å; V121-R125 HydrophobicContact CG1-CG 4.23Å; V121-R125 WeakPolarHBondContact O-CB 3.32Å; V121-R125 VanDerWaalsContact O-CG 3.3Å; V121-R125 WeakPolarHBondContact O-CG 3.42Å; V121-R125 PolarHBondContact O-N 3.45Å; I122-R125 PolarHBondContact O-N 3.22Å; R125-E128 WeakPolarHBondContact CD-OE2 3.48Å; R125-E128 IonicContact CZ-OE2 3.45Å; R125-E128 IonicContact NH1-OE2 3.84Å; R125-E128 PolarHBondContact NH1-OE2 3.08Å; R125-E128 PolarHBondContact O-N 3.44Å; R125-V129 WeakPolarHBondContact O-CG1 3.41Å; R125-V129 PolarHBondContact O-N 2.85Å; R125-I161 HydrophobicContact CB-CD1 4.25Å; R125-I161 HydrophobicContact CB-CG1 3.93Å; R125-Q163 VanDerWaalsContact CZ-NE2 3.33Å; R125-Q163 VanDerWaalsContact NH2-CD 3.31Å
126V98.5Very high96.2Very high8 Ų871.6 Ų71.65%0.04837%0.37CS..Hα-helixtrans-58.9-49.2174.6172.50000110A105 I108 A109 I122 E128 V129 A130 L139 I161A105-V126 HydrophobicContact CB-CG1 4.07Å; I108-V126 HydrophobicContact CG2-CB 4.49Å; I108-V126 HydrophobicContact CG2-CG1 4.35Å; I108-V126 HydrophobicContact CG2-CG2 4.09Å; A109-V126 HydrophobicContact CB-CG2 4.05Å; I122-V126 HydrophobicContact CG2-CG2 4.04Å; I122-V126 VanDerWaalsContact O-CG2 3.28Å; I122-V126 WeakPolarHBondContact O-CG2 3.29Å; I122-V126 PolarHBondContact O-N 3.38Å; V126-E128 PolarHBondContact O-N 2.96Å; V126-V129 WeakPolarHBondContact O-CG1 3.43Å; V126-V129 PolarHBondContact O-N 2.95Å; V126-A130 WeakPolarHBondContact O-CB 3.39Å; V126-A130 PolarHBondContact O-N 3.07Å; V126-L139 HydrophobicContact CG1-CD1 4.45Å; V126-L139 HydrophobicContact CG1-CD2 3.73Å; V126-I161 HydrophobicContact CG2-CD1 3.81Å
127A97.9Very high96.4Very high50 Ų5072.2 Ų72.241%0.41338%0.377SS..Hα-helixtrans-63.3-41.8178.700000112.6H123 R124 K131H123-A127 WeakPolarHBondContact O-CB 3.28Å; H123-A127 PolarHBondContact O-N 2.77Å; R124-A127 PolarHBondContact O-N 3.27Å; A127-K131 VanDerWaalsContact O-CB 3.31Å; A127-K131 WeakPolarHBondContact O-CB 3.39Å; A127-K131 PolarHBondContact O-N 2.98Å
128E96.4Very high96.5Very high84 Ų8471.8 Ų71.839%0.39337%0.37SS..Hα-helixtrans-58.5-52.9176.3-76168.4-165.600111.5R124 R125 V126 R132R124-E128 WeakPolarHBondContact CD-OE1 3.32Å; R124-E128 WeakPolarHBondContact CG-OE1 3.41Å; R124-E128 IonicContact NE-OE1 2.85Å; R124-E128 PolarHBondContact NE-OE1 3.24Å; R124-E128 WeakPolarHBondContact O-CG 3.46Å; R124-E128 PolarHBondContact O-N 2.98Å; R125-E128 WeakPolarHBondContact CD-OE2 3.48Å; R125-E128 IonicContact CZ-OE2 3.45Å; R125-E128 IonicContact NH1-OE2 3.84Å; R125-E128 PolarHBondContact NH1-OE2 3.08Å; R125-E128 PolarHBondContact O-N 3.44Å; V126-E128 PolarHBondContact O-N 2.96Å; E128-R132 WeakPolarHBondContact O-CB 3.42Å; E128-R132 PolarHBondContact O-N 3.01Å; E128-R132 VanDerWaalsContact O-N 3.15Å
129V95.8Very high96.5Very high11 Ų1165.1 Ų65.17%0.06734%0.342CS..Hα-helixtrans-71.7-36-176.774.60000112I108 R125 V126 R132 L133 A157 L160I108-V129 HydrophobicContact CG2-CG1 3.64Å; R125-V129 WeakPolarHBondContact O-CG1 3.41Å; R125-V129 PolarHBondContact O-N 2.85Å; V126-V129 WeakPolarHBondContact O-CG1 3.43Å; V126-V129 PolarHBondContact O-N 2.95Å; V129-R132 PolarHBondContact O-N 2.84Å; V129-L133 HydrophobicContact CG2-CD1 4.28Å; V129-L133 PolarHBondContact O-N 2.83Å; V129-L133 VanDerWaalsContact O-N 3.08Å; V129-A157 HydrophobicContact CG1-CB 3.95Å; V129-A157 HydrophobicContact CG2-CB 3.99Å; V129-L160 HydrophobicContact CG2-CB 3.94Å; V129-L160 HydrophobicContact CG2-CD1 4.49Å
130A97Very high96.6Very high0 Ų068.3 Ų68.30%035%0.354CS..Hα-helixtrans-66.5-42.8178.600000112V126 R132 L133 S134 I135 D136 L139V126-A130 WeakPolarHBondContact O-CB 3.39Å; V126-A130 PolarHBondContact O-N 3.07Å; A130-R132 VanDerWaalsContact C-N 3.33Å; A130-R132 PolarHBondContact O-N 3.35Å; A130-L133 CarbonylContact O-C 3.6Å; A130-L133 PolarHBondContact O-N 3.12Å; A130-S134 PolarHBondContact O-N 2.76Å; A130-I135 HydrophobicContact CB-CD1 4.48Å; A130-I135 HydrophobicContact CB-CG1 3.93Å; A130-I135 WeakPolarHBondContact O-CG1 3.3Å; A130-I135 PolarHBondContact O-N 3.29Å; A130-D136 HydrophobicContact CB-CB 4.47Å; A130-L139 HydrophobicContact CB-CD1 4.13Å; A130-L139 HydrophobicContact CB-CD2 3.7Å; A130-L139 HydrophobicContact CB-CG 4.17Å
131K95.2Very high96.6Very high155 Ų15561 Ų6167%0.67433%0.326SS*.Hα-helixtrans-62.3-42.2174.4-176175.3-176.9176.70111.4A127 L133 S134A127-K131 VanDerWaalsContact O-CB 3.31Å; A127-K131 WeakPolarHBondContact O-CB 3.39Å; A127-K131 PolarHBondContact O-N 2.98Å; K131-L133 VanDerWaalsContact C-N 3.26Å; K131-L133 PolarHBondContact O-N 2.71Å; K131-S134 PolarHBondContact O-N 2.83Å; K131-S134 VanDerWaalsContact O-N 3.11Å
132R90.6Very high96.7Very high95 Ų9563.2 Ų63.236%0.35833%0.329SS..Hα-helixtrans-60.3-36.5178.4-179.6169.4159.4-159.6-18.7112.4E128 V129 A130 D195E128-R132 WeakPolarHBondContact O-CB 3.42Å; E128-R132 PolarHBondContact O-N 3.01Å; E128-R132 VanDerWaalsContact O-N 3.15Å; V129-R132 PolarHBondContact O-N 2.84Å; A130-R132 VanDerWaalsContact C-N 3.33Å; A130-R132 PolarHBondContact O-N 3.35Å; R132-D195 IonicContact CZ-OD1 2.72Å; R132-D195 IonicContact CZ-OD2 3.89Å; R132-D195 IonicContact NE-OD1 3.82Å; R132-D195 PolarHBondContact NE-OD1 3.46Å; R132-D195 VanDerWaalsContact NE-OD1 3.12Å; R132-D195 IonicContact NE-OD2 3.49Å; R132-D195 PolarHBondContact NE-OD2 3.4Å; R132-D195 IonicContact NH2-OD1 2.93Å; R132-D195 IonicContact NH2-OD2 3.95Å; R132-D195 PolarHBondContact NH2-OD2 2.64Å
133L92.3Very high96.6Very high9 Ų962.6 Ų62.65%0.04733%0.326CS..THydrogen-bonded Turntrans-94.58.5177.3-72.3166.9000114V129 A130 K131 I135 R153 A156 A157 L160 T187 L191V129-L133 HydrophobicContact CG2-CD1 4.28Å; V129-L133 PolarHBondContact O-N 2.83Å; V129-L133 VanDerWaalsContact O-N 3.08Å; A130-L133 CarbonylContact O-C 3.6Å; A130-L133 PolarHBondContact O-N 3.12Å; K131-L133 VanDerWaalsContact C-N 3.26Å; K131-L133 PolarHBondContact O-N 2.71Å; L133-I135 VanDerWaalsContact C-N 3.33Å; L133-I135 HydrophobicContact CB-CD1 4.43Å; L133-I135 HydrophobicContact CB-CG1 4.17Å; L133-I135 PolarHBondContact O-N 2.87Å; L133-R153 WeakPolarHBondContact O-CD 3.41Å; L133-R153 PolarHBondContact O-NH1 2.74Å; L133-A156 HydrophobicContact CD1-CB 4.04Å; L133-A157 HydrophobicContact CD1-CB 3.66Å; L133-L160 HydrophobicContact CD1-CD1 4.25Å; L133-T187 HydrophobicContact CD2-CG2 3.78Å; L133-L191 HydrophobicContact CD2-CD1 4.35Å; L133-L191 HydrophobicContact CD2-CD2 3.97Å; L133-L191 HydrophobicContact CD2-CG 4.26Å
134S93.5Very high96.5Very high86 Ų8660.5 Ų60.560%0.60133%0.33SS*.THydrogen-bonded Turntrans54.344.8179.9-44.90000113.6A130 K131A130-S134 PolarHBondContact O-N 2.76Å; K131-S134 PolarHBondContact O-N 2.83Å; K131-S134 VanDerWaalsContact O-N 3.11Å
135I96Very high96.5Very high4 Ų460 Ų602%0.02133%0.334CS..  trans-126.214177.957.2167.7000112.7I108 A130 L133 G137 I138 R153 V154 A157I108-I135 HydrophobicContact CD1-CD1 3.92Å; A130-I135 HydrophobicContact CB-CD1 4.48Å; A130-I135 HydrophobicContact CB-CG1 3.93Å; A130-I135 WeakPolarHBondContact O-CG1 3.3Å; A130-I135 PolarHBondContact O-N 3.29Å; L133-I135 VanDerWaalsContact C-N 3.33Å; L133-I135 HydrophobicContact CB-CD1 4.43Å; L133-I135 HydrophobicContact CB-CG1 4.17Å; L133-I135 PolarHBondContact O-N 2.87Å; I135-G137 PolarHBondContact O-N 3.46Å; I135-I138 HydrophobicContact CB-CD1 4.04Å; I135-I138 HydrophobicContact CB-CG1 3.86Å; I135-I138 HydrophobicContact CG2-CD1 4.15Å; I135-I138 HydrophobicContact CG2-CG1 4.43Å; I135-I138 WeakPolarHBondContact O-CG1 3.42Å; I135-I138 PolarHBondContact O-N 3.39Å; I135-R153 HydrophobicContact CD1-CB 4.31Å; I135-R153 HydrophobicContact CG2-CB 3.49Å; I135-R153 VanDerWaalsContact CG2-CB 3.49Å; I135-R153 HydrophobicContact CG2-CG 4.28Å; I135-V154 HydrophobicContact CD1-CB 4.49Å; I135-V154 HydrophobicContact CD1-CG2 3.89Å; I135-A157 HydrophobicContact CD1-CB 3.91Å
136D96.7Very high96.4Very high91 Ų9158 Ų5849%0.48733%0.327SS..G310 helixtrans-59.9-30.1178.253.5-70.3000112.8A130 I138A130-D136 HydrophobicContact CB-CB 4.47Å; D136-I138 VanDerWaalsContact C-N 3.29Å; D136-I138 PolarHBondContact O-N 2.83Å
137G97.5Very high96.1Very high75 Ų7560.7 Ų60.777%0.77335%0.346SS*.G310 helixtrans-71.3-12.8177.400000116I135I135-G137 PolarHBondContact O-N 3.46Å
138I98Very high95.6Very high19 Ų1959.9 Ų59.910%0.09734%0.343CS..G310 helixtrans-11511-176.762.4156.7000113.8A104 I135 D136 N140 S141 I146 Q150 V154A104-I138 WeakPolarHBondContact CB-O 3.3Å; I135-I138 HydrophobicContact CB-CD1 4.04Å; I135-I138 HydrophobicContact CB-CG1 3.86Å; I135-I138 HydrophobicContact CG2-CD1 4.15Å; I135-I138 HydrophobicContact CG2-CG1 4.43Å; I135-I138 WeakPolarHBondContact O-CG1 3.42Å; I135-I138 PolarHBondContact O-N 3.39Å; D136-I138 VanDerWaalsContact C-N 3.29Å; D136-I138 PolarHBondContact O-N 2.83Å; I138-N140 PolarHBondContact O-N 2.96Å; I138-N140 VanDerWaalsContact O-N 3.08Å; I138-S141 WeakPolarHBondContact O-CB 3.37Å; I138-S141 PolarHBondContact O-N 3.49Å; I138-I146 HydrophobicContact CB-CG2 4.03Å; I138-I146 HydrophobicContact CD1-CB 4.34Å; I138-I146 HydrophobicContact CD1-CD1 3.97Å; I138-I146 HydrophobicContact CD1-CG2 3.91Å; I138-I146 HydrophobicContact CG2-CG2 4.21Å; I138-Q150 HydrophobicContact CD1-CB 3.74Å; I138-Q150 HydrophobicContact CD1-CG 3.96Å; I138-V154 HydrophobicContact CD1-CG2 3.96Å
139L98.3Very high95.1Very high31 Ų3156.8 Ų56.816%0.16233%0.334CS..THydrogen-bonded Turntrans-57-30.4-172.7-79.8177.3000114.1A105 I108 V126 A130A105-L139 HydrophobicContact CB-CB 4.14Å; A105-L139 HydrophobicContact CB-CD2 4Å; A105-L139 VanDerWaalsContact CB-O 3.25Å; A105-L139 WeakPolarHBondContact CB-O 3.43Å; A105-L139 PolarHBondContact N-O 3.26Å; I108-L139 HydrophobicContact CD1-CD2 4.15Å; V126-L139 HydrophobicContact CG1-CD1 4.45Å; V126-L139 HydrophobicContact CG1-CD2 3.73Å; A130-L139 HydrophobicContact CB-CD1 4.13Å; A130-L139 HydrophobicContact CB-CD2 3.7Å; A130-L139 HydrophobicContact CB-CG 4.17Å
140N98.3Very high94.9Very high139 Ų13959.3 Ų59.374%0.74335%0.345SS*.THydrogen-bonded Turntrans-92.5-0.9179.5-60.9-36.1000113.5T103 I138T103-N140 WeakPolarHBondContact CG2-O 3.11Å; I138-N140 PolarHBondContact O-N 2.96Å; I138-N140 VanDerWaalsContact O-N 3.08Å
141S98.5Very high94.7Very high31 Ų3161.8 Ų61.822%0.21736%0.356CS..  trans-84.8142.6-179.7-57.30000110.8T103 A104 I138 I146T103-S141 CarbonylContact C-O 3.5Å; T103-S141 WeakPolarHBondContact CA-O 3.46Å; A104-S141 PolarHBondContact N-O 3.44Å; I138-S141 WeakPolarHBondContact O-CB 3.37Å; I138-S141 PolarHBondContact O-N 3.49Å; S141-I146 VanDerWaalsContact CB-CG2 3.46Å
142Y98.3Very high94.5Very high103 Ų10354.5 Ų54.540%0.40432%0.324SS..  trans-77.7156.2169.8-67.5-87.2000110.6T103 A144 Q145T103-Y142 HydrophobicContact CG2-CD1 4.43Å; T103-Y142 HydrophobicContact CG2-CE1 4.06Å; T103-Y142 HydrophobicContact CG2-CE2 4.17Å; Y142-A144 PolarHBondContact O-N 3.03Å; Y142-A144 VanDerWaalsContact O-N 3.17Å; Y142-Q145 WeakPolarHBondContact O-CB 3.45Å; Y142-Q145 PolarHBondContact O-N 3.4Å
143P97Very high94.6Very high1 Ų153.9 Ų53.91%0.00632%0.321CS..G310 helixtrans-52.6-39.6178.6-28.434000112.9L98 E100 L102 Q145 I146 K151L98-P143 HydrophobicContact CB-CB 4.28Å; L98-P143 HydrophobicContact CB-CG 3.87Å; L98-P143 HydrophobicContact CD1-CB 4.2Å; L98-P143 HydrophobicContact CD1-CG 4.15Å; E100-P143 WeakPolarHBondContact OE2-CB 3.35Å; L102-P143 WeakPolarHBondContact O-CD 3.46Å; P143-Q145 PolarHBondContact O-N 3.3Å; P143-I146 VanDerWaalsContact O-CG1 3.31Å; P143-I146 WeakPolarHBondContact O-CG1 3.25Å; P143-I146 PolarHBondContact O-N 2.83Å; P143-K151 VanDerWaalsContact C-CE 3.49Å; P143-K151 WeakPolarHBondContact O-CE 3.35Å
144A96.4Very high94.7Very high82 Ų8253.5 Ų53.568%0.67832%0.32SS*.G310 helixtrans-59.9-16175.500000115.3Y142Y142-A144 PolarHBondContact O-N 3.03Å; Y142-A144 VanDerWaalsContact O-N 3.17Å
145Q96.9Very high94.8Very high128 Ų12849.6 Ų49.660%0.59829%0.292SS*.G310 helixtrans-102.7-2.7-175.4-59.1175.9-47.600113.8Y142 P143Y142-Q145 WeakPolarHBondContact O-CB 3.45Å; Y142-Q145 PolarHBondContact O-N 3.4Å; P143-Q145 PolarHBondContact O-N 3.3Å
146I95.5Very high94.7Very high16 Ų1649.5 Ų49.58%0.08229%0.292CS..SBendtrans-121.3155.1-173.858.5170.9000111.2I138 S141 P143 Q150 K151 V154I138-I146 HydrophobicContact CB-CG2 4.03Å; I138-I146 HydrophobicContact CD1-CB 4.34Å; I138-I146 HydrophobicContact CD1-CD1 3.97Å; I138-I146 HydrophobicContact CD1-CG2 3.91Å; I138-I146 HydrophobicContact CG2-CG2 4.21Å; S141-I146 VanDerWaalsContact CB-CG2 3.46Å; P143-I146 VanDerWaalsContact O-CG1 3.31Å; P143-I146 WeakPolarHBondContact O-CG1 3.25Å; P143-I146 PolarHBondContact O-N 2.83Å; I146-Q150 HydrophobicContact CB-CB 3.85Å; I146-Q150 VanDerWaalsContact CB-OE1 3.3Å; I146-Q150 HydrophobicContact CD1-CB 4.21Å; I146-Q150 HydrophobicContact CG1-CB 4.36Å; I146-K151 HydrophobicContact CD1-CG 3.88Å; I146-K151 HydrophobicContact CG1-CG 3.79Å; I146-V154 HydrophobicContact CD1-CG2 4.05Å
147S91.6Very high94.6Very high64 Ų6445.1 Ų45.145%0.44827%0.269SS..  trans-68.3164.8-179.574.90000112.6G149 Q150 K151S147-G149 PolarHBondContact O-N 3.45Å; S147-Q150 WeakPolarHBondContact O-CB 3.47Å; S147-Q150 PolarHBondContact O-N 3.05Å; S147-Q150 VanDerWaalsContact O-N 3.1Å; S147-Q150 WeakPolarHBondContact OG-CG 3.35Å; S147-Q150 PolarHBondContact OG-N 3.46Å; S147-K151 WeakPolarHBondContact O-CG 3.13Å; S147-K151 PolarHBondContact O-N 3.02Å
148G87.8Confident94.6Very high34 Ų3443 Ų4335%0.35124%0.238SC..Hα-helixtrans-54.7-50.1175.300000112.9Q150 K151 Q152G148-Q150 VanDerWaalsContact C-N 3.26Å; G148-Q150 PolarHBondContact O-N 3.28Å; G148-K151 WeakPolarHBondContact O-CB 3.46Å; G148-K151 PolarHBondContact O-N 3.17Å; G148-K151 VanDerWaalsContact O-N 3.12Å; G148-Q152 WeakPolarHBondContact O-CB 3.37Å; G148-Q152 PolarHBondContact O-N 2.95Å
149G86.1Confident94.4Very high19 Ų1942.5 Ų42.520%0.19624%0.236CC..Hα-helixtrans-62.1-30.8176.100000113.6S147 R153S147-G149 PolarHBondContact O-N 3.45Å; G149-R153 WeakPolarHBondContact O-CG 3.37Å; G149-R153 PolarHBondContact O-N 3.17Å; G149-R153 VanDerWaalsContact O-N 3.09Å
150Q92.3Very high94.2Very high64 Ų6441.6 Ų41.630%0.29923%0.231SC..Hα-helixtrans-70.2-45.1171.9-78.2173.5-25.800112I138 I146 S147 G148 Q152 R153 V154I138-Q150 HydrophobicContact CD1-CB 3.74Å; I138-Q150 HydrophobicContact CD1-CG 3.96Å; I146-Q150 HydrophobicContact CB-CB 3.85Å; I146-Q150 VanDerWaalsContact CB-OE1 3.3Å; I146-Q150 HydrophobicContact CD1-CB 4.21Å; I146-Q150 HydrophobicContact CG1-CB 4.36Å; S147-Q150 WeakPolarHBondContact O-CB 3.47Å; S147-Q150 PolarHBondContact O-N 3.05Å; S147-Q150 VanDerWaalsContact O-N 3.1Å; S147-Q150 WeakPolarHBondContact OG-CG 3.35Å; S147-Q150 PolarHBondContact OG-N 3.46Å; G148-Q150 VanDerWaalsContact C-N 3.26Å; G148-Q150 PolarHBondContact O-N 3.28Å; Q150-Q152 PolarHBondContact O-N 3.12Å; Q150-R153 PolarHBondContact O-N 3.29Å; Q150-V154 VanDerWaalsContact O-CG2 3.31Å; Q150-V154 WeakPolarHBondContact O-CG2 3.25Å; Q150-V154 PolarHBondContact O-N 3.24Å
151K92.6Very high94.2Very high52 Ų5235.1 Ų35.123%0.22620%0.197CC..Hα-helixtrans-55.5-43.2174-69.1-175.6176-165.30111.3F96 L98 E100 P143 I146 S147 G148 V154 A155F96-K151 HydrophobicContact CD2-CB 3.67Å; F96-K151 HydrophobicContact CD2-CD 4.35Å; F96-K151 HydrophobicContact CE2-CB 4.09Å; F96-K151 HydrophobicContact CG-CB 4.37Å; L98-K151 HydrophobicContact CD1-CB 3.82Å; L98-K151 HydrophobicContact CD1-CG 4.06Å; E100-K151 IonicContact OE1-NZ 3.96Å; P143-K151 VanDerWaalsContact C-CE 3.49Å; P143-K151 WeakPolarHBondContact O-CE 3.35Å; I146-K151 HydrophobicContact CD1-CG 3.88Å; I146-K151 HydrophobicContact CG1-CG 3.79Å; S147-K151 WeakPolarHBondContact O-CG 3.13Å; S147-K151 PolarHBondContact O-N 3.02Å; G148-K151 WeakPolarHBondContact O-CB 3.46Å; G148-K151 PolarHBondContact O-N 3.17Å; G148-K151 VanDerWaalsContact O-N 3.12Å; K151-V154 WeakPolarHBondContact O-CB 3.48Å; K151-V154 PolarHBondContact O-N 3.46Å; K151-A155 PolarHBondContact O-N 3.2Å
152Q90.2Very high94Very high2 Ų234.8 Ų34.81%0.00919%0.194CC..Hα-helixtrans-61.6-47.5178-173.9-158.4-68.700112.3F96 G148 Q150 V154 A155 A156 S180 D183 L184 T187F96-Q152 HydrophobicContact CD1-CB 4.16Å; F96-Q152 HydrophobicContact CD1-CG 4.34Å; F96-Q152 HydrophobicContact CE1-CB 3.67Å; F96-Q152 HydrophobicContact CE1-CG 3.75Å; F96-Q152 HydrophobicContact CZ-CB 3.87Å; F96-Q152 HydrophobicContact CZ-CG 4.31Å; G148-Q152 WeakPolarHBondContact O-CB 3.37Å; G148-Q152 PolarHBondContact O-N 2.95Å; Q150-Q152 PolarHBondContact O-N 3.12Å; Q152-V154 VanDerWaalsContact C-N 3.29Å; Q152-V154 PolarHBondContact O-N 2.99Å; Q152-A155 WeakPolarHBondContact O-CB 3.45Å; Q152-A155 PolarHBondContact O-N 2.87Å; Q152-A155 VanDerWaalsContact O-N 3.14Å; Q152-A156 PolarHBondContact O-N 3.12Å; Q152-S180 PolarHBondContact OE1-O 3.38Å; Q152-D183 PolarHBondContact NE2-O 3.17Å; Q152-L184 VanDerWaalsContact CD-CB 3.47Å; Q152-L184 HydrophobicContact CG-CB 4.06Å; Q152-L184 HydrophobicContact CG-CD1 3.48Å; Q152-L184 VanDerWaalsContact CG-CD1 3.48Å; Q152-L184 HydrophobicContact CG-CG 4.28Å; Q152-L184 VanDerWaalsContact NE2-N 3.19Å; Q152-L184 VanDerWaalsContact OE1-N 3.08Å; Q152-T187 PolarHBondContact NE2-OG1 3.01Å; Q152-T187 VanDerWaalsContact NE2-OG1 3.12Å
153R92.4Very high93.7Very high81 Ų8135.6 Ų35.631%0.30620%0.201SC..Hα-helixtrans-63.2-35175.1-72.7171.2-178.1-140.35.4111.9L133 I135 G149 Q150 A156 A157L133-R153 WeakPolarHBondContact O-CD 3.41Å; L133-R153 PolarHBondContact O-NH1 2.74Å; I135-R153 HydrophobicContact CD1-CB 4.31Å; I135-R153 HydrophobicContact CG2-CB 3.49Å; I135-R153 VanDerWaalsContact CG2-CB 3.49Å; I135-R153 HydrophobicContact CG2-CG 4.28Å; G149-R153 WeakPolarHBondContact O-CG 3.37Å; G149-R153 PolarHBondContact O-N 3.17Å; G149-R153 VanDerWaalsContact O-N 3.09Å; Q150-R153 PolarHBondContact O-N 3.29Å; R153-A156 PolarHBondContact O-N 3.42Å; R153-A157 VanDerWaalsContact O-CB 3.29Å; R153-A157 WeakPolarHBondContact O-CB 3.42Å; R153-A157 PolarHBondContact O-N 3.28Å
154V96Very high93.7Very high1 Ų136.3 Ų36.31%0.00621%0.206CC..Hα-helixtrans-63.8-42.6171.9172.60000111L98 A104 N107 I108 I135 I138 I146 Q150 K151 Q152 A157 R158L98-V154 HydrophobicContact CD1-CB 4.13Å; L98-V154 HydrophobicContact CD1-CG1 3.93Å; L98-V154 HydrophobicContact CD2-CB 4.47Å; L98-V154 HydrophobicContact CD2-CG1 3.81Å; A104-V154 HydrophobicContact CB-CG1 4.15Å; A104-V154 HydrophobicContact CB-CG2 3.69Å; N107-V154 HydrophobicContact CB-CG1 4.05Å; I108-V154 HydrophobicContact CD1-CG1 4.26Å; I108-V154 HydrophobicContact CG1-CG1 3.98Å; I135-V154 HydrophobicContact CD1-CB 4.49Å; I135-V154 HydrophobicContact CD1-CG2 3.89Å; I138-V154 HydrophobicContact CD1-CG2 3.96Å; I146-V154 HydrophobicContact CD1-CG2 4.05Å; Q150-V154 VanDerWaalsContact O-CG2 3.31Å; Q150-V154 WeakPolarHBondContact O-CG2 3.25Å; Q150-V154 PolarHBondContact O-N 3.24Å; K151-V154 WeakPolarHBondContact O-CB 3.48Å; K151-V154 PolarHBondContact O-N 3.46Å; Q152-V154 VanDerWaalsContact C-N 3.29Å; Q152-V154 PolarHBondContact O-N 2.99Å; V154-A157 PolarHBondContact O-N 3.07Å; V154-R158 WeakPolarHBondContact O-CB 3.44Å; V154-R158 PolarHBondContact O-N 3Å
155A94.1Very high93.6Very high4 Ų433.6 Ų33.63%0.03318%0.181CC..Hα-helixtrans-64.6-41.9175.500000112.2F96 L98 K151 Q152 R158 A159F96-A155 HydrophobicContact CB-CB 3.96Å; F96-A155 HydrophobicContact CD1-CB 4.49Å; L98-A155 HydrophobicContact CD2-CB 4.14Å; K151-A155 PolarHBondContact O-N 3.2Å; Q152-A155 WeakPolarHBondContact O-CB 3.45Å; Q152-A155 PolarHBondContact O-N 2.87Å; Q152-A155 VanDerWaalsContact O-N 3.14Å; A155-R158 WeakPolarHBondContact O-CB 3.43Å; A155-R158 PolarHBondContact O-N 3.44Å; A155-A159 PolarHBondContact O-N 3.06Å
156A93.4Very high93.6Very high2 Ų227.6 Ų27.62%0.01715%0.153CC..Hα-helixtrans-62.6-43.4173.800000111.9I92 L133 Q152 R153 R158 A159 L160 T187 L191I92-A156 HydrophobicContact CD1-CB 4.09Å; L133-A156 HydrophobicContact CD1-CB 4.04Å; Q152-A156 PolarHBondContact O-N 3.12Å; R153-A156 PolarHBondContact O-N 3.42Å; A156-R158 VanDerWaalsContact C-N 3.33Å; A156-R158 PolarHBondContact O-N 3.02Å; A156-A159 PolarHBondContact O-N 2.82Å; A156-A159 VanDerWaalsContact O-N 3.17Å; A156-L160 WeakPolarHBondContact O-CB 3.48Å; A156-L160 VanDerWaalsContact O-CG 3.3Å; A156-L160 WeakPolarHBondContact O-CG 3.4Å; A156-L160 PolarHBondContact O-N 3.45Å; A156-T187 HydrophobicContact CB-CG2 4.35Å; A156-L191 HydrophobicContact CB-CD1 4.4Å
157A95.8Very high93.7Very high0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-59.9-43.2174.800000111.9I108 V129 L133 I135 R153 V154 A159 L160 I161I108-A157 HydrophobicContact CD1-CB 3.61Å; I108-A157 HydrophobicContact CG1-CB 3.66Å; I108-A157 HydrophobicContact CG2-CB 4.11Å; V129-A157 HydrophobicContact CG1-CB 3.95Å; V129-A157 HydrophobicContact CG2-CB 3.99Å; L133-A157 HydrophobicContact CD1-CB 3.66Å; I135-A157 HydrophobicContact CD1-CB 3.91Å; R153-A157 VanDerWaalsContact O-CB 3.29Å; R153-A157 WeakPolarHBondContact O-CB 3.42Å; R153-A157 PolarHBondContact O-N 3.28Å; V154-A157 PolarHBondContact O-N 3.07Å; A157-A159 VanDerWaalsContact C-N 3.34Å; A157-A159 PolarHBondContact O-N 2.97Å; A157-L160 PolarHBondContact O-N 3.26Å; A157-I161 PolarHBondContact O-N 3.22Å
158R96.5Very high93.9Very high30 Ų3023.9 Ų23.911%0.11313%0.128CC..Hα-helixtrans-61.4-41.4174.4-175.1179.566.3-167.6-2111.9F96 N97 N107 P111 V154 A155 A156 L160 I161F96-R158 PolarHBondContact O-NH2 3.21Å; N97-R158 PolarHBondContact O-NH1 3.42Å; N97-R158 PolarHBondContact O-NH2 3.09Å; N107-R158 WeakPolarHBondContact O-CD 3.38Å; N107-R158 VanDerWaalsContact O-CG 3.26Å; N107-R158 WeakPolarHBondContact O-CG 3.48Å; P111-R158 HydrophobicContact CG-CG 3.83Å; V154-R158 WeakPolarHBondContact O-CB 3.44Å; V154-R158 PolarHBondContact O-N 3Å; A155-R158 WeakPolarHBondContact O-CB 3.43Å; A155-R158 PolarHBondContact O-N 3.44Å; A156-R158 VanDerWaalsContact C-N 3.33Å; A156-R158 PolarHBondContact O-N 3.02Å; R158-L160 VanDerWaalsContact C-N 3.27Å; R158-L160 PolarHBondContact O-N 2.89Å; R158-I161 WeakPolarHBondContact O-CG2 3.42Å
159A94.6Very high94.1Very high8 Ų822.3 Ų22.37%0.06611%0.111CC..Hα-helixtrans-66.3-30.4177.900000112.6F91 I92 A155 A156 A157 P164 L167F91-A159 VanDerWaalsContact O-CB 3.3Å; F91-A159 WeakPolarHBondContact O-CB 3.48Å; I92-A159 HydrophobicContact CD1-CB 3.65Å; I92-A159 HydrophobicContact CG1-CB 4.47Å; A155-A159 PolarHBondContact O-N 3.06Å; A156-A159 PolarHBondContact O-N 2.82Å; A156-A159 VanDerWaalsContact O-N 3.17Å; A157-A159 VanDerWaalsContact C-N 3.34Å; A157-A159 PolarHBondContact O-N 2.97Å; A159-P164 WeakPolarHBondContact O-CG 3.29Å; A159-L167 HydrophobicContact CB-CD2 3.79Å
160L95.1Very high94.3Very high12 Ų1224.4 Ų24.46%0.06312%0.118CC..Hα-helixtrans-93.8-17.3-175.1-73170.2000115.1V129 L133 A156 A157 R158 T162 Q163 L167 L191 V197V129-L160 HydrophobicContact CG2-CB 3.94Å; V129-L160 HydrophobicContact CG2-CD1 4.49Å; L133-L160 HydrophobicContact CD1-CD1 4.25Å; A156-L160 WeakPolarHBondContact O-CB 3.48Å; A156-L160 VanDerWaalsContact O-CG 3.3Å; A156-L160 WeakPolarHBondContact O-CG 3.4Å; A156-L160 PolarHBondContact O-N 3.45Å; A157-L160 PolarHBondContact O-N 3.26Å; R158-L160 VanDerWaalsContact C-N 3.27Å; R158-L160 PolarHBondContact O-N 2.89Å; L160-T162 PolarHBondContact O-N 2.99Å; L160-T162 VanDerWaalsContact O-N 3.08Å; L160-Q163 WeakPolarHBondContact O-CA 3.37Å; L160-Q163 PolarHBondContact O-N 3.37Å; L160-L167 HydrophobicContact CD2-CD1 3.81Å; L160-L167 HydrophobicContact CD2-CD2 4.11Å; L160-L167 HydrophobicContact CD2-CG 4.15Å; L160-L167 HydrophobicContact CG-CD1 4.29Å; L160-L191 HydrophobicContact CD1-CD1 3.66Å; L160-L191 HydrophobicContact CD1-CD2 3.35Å; L160-L191 HydrophobicContact CD1-CG 4.11Å; L160-V197 HydrophobicContact CD2-CG1 3.97Å; L160-V197 HydrophobicContact CD2-CG2 3.9Å
161I96.3Very high94.2Very high4 Ų423.7 Ų23.72%0.02112%0.115CC..THydrogen-bonded Turntrans-57.9-31.3-169.4-162.5-172.1000112.9I108 P111 L112 R125 V126 A157 R158 Q163I108-I161 HydrophobicContact CG2-CB 4.28Å; I108-I161 HydrophobicContact CG2-CD1 3.9Å; I108-I161 HydrophobicContact CG2-CG1 4.25Å; I108-I161 VanDerWaalsContact O-CD1 3.24Å; I108-I161 WeakPolarHBondContact O-CD1 3.33Å; I108-I161 WeakPolarHBondContact O-CG2 3.36Å; P111-I161 HydrophobicContact CB-CG2 3.96Å; P111-I161 HydrophobicContact CG-CG2 3.92Å; L112-I161 HydrophobicContact CB-CD1 4.49Å; L112-I161 HydrophobicContact CD1-CD1 3.52Å; L112-I161 HydrophobicContact CD1-CG1 3.73Å; L112-I161 HydrophobicContact CG-CD1 3.91Å; L112-I161 HydrophobicContact CG-CG1 4.15Å; L112-I161 HydrophobicContact CG-CG2 4.24Å; R125-I161 HydrophobicContact CB-CD1 4.25Å; R125-I161 HydrophobicContact CB-CG1 3.93Å; V126-I161 HydrophobicContact CG2-CD1 3.81Å; A157-I161 PolarHBondContact O-N 3.22Å; R158-I161 WeakPolarHBondContact O-CG2 3.42Å; I161-Q163 PolarHBondContact O-N 2.88Å
162T94.5Very high93.9Very high24 Ų2421.2 Ų21.215%0.14710%0.104CC..THydrogen-bonded Turntrans-80.5-5.2179.3570000113.1S86 P111 L112 Q115 L160S86-T162 WeakPolarHBondContact O-CG2 3.49Å; P111-T162 HydrophobicContact CB-CG2 3.53Å; L112-T162 HydrophobicContact CD2-CG2 4.06Å; Q115-T162 VanDerWaalsContact NE2-CG2 3.35Å; L160-T162 PolarHBondContact O-N 2.99Å; L160-T162 VanDerWaalsContact O-N 3.08Å
163Q93.2Very high93.9Very high120 Ų12021.7 Ų21.756%0.56111%0.107SC*.  trans55.457-171.1-53.5-171.8-32.200111.5R125 L160 I161R125-Q163 VanDerWaalsContact CZ-NE2 3.33Å; R125-Q163 VanDerWaalsContact NH2-CD 3.31Å; L160-Q163 WeakPolarHBondContact O-CA 3.37Å; L160-Q163 PolarHBondContact O-N 3.37Å; I161-Q163 PolarHBondContact O-N 2.88Å
164P95.6Very high93.5Very high16 Ų1620.2 Ų20.210%0.10412%0.117CC..  trans-64152-175.431.6-38.1000111E88 G90 A159 I166 L167E88-P164 WeakPolarHBondContact O-CB 3.46Å; G90-P164 VanDerWaalsContact N-CB 3.31Å; A159-P164 WeakPolarHBondContact O-CG 3.29Å; P164-I166 PolarHBondContact O-N 2.94Å; P164-L167 HydrophobicContact CG-CD2 3.87Å
165T95.5Very high92.9Very high25 Ų2523.5 Ų23.515%0.15314%0.144CC..SBendtrans-62.2-36.8171.3-72.60000111.1I4 I68 N69 E88I4-T165 HydrophobicContact CB-CG2 3.76Å; I4-T165 HydrophobicContact CD1-CG2 3.85Å; I4-T165 WeakPolarHBondContact CD1-O 3.08Å; I4-T165 HydrophobicContact CG1-CG2 4.43Å; I4-T165 HydrophobicContact CG2-CG2 4.23Å; I68-T165 HydrophobicContact CG2-CG2 4.14Å; N69-T165 HydrophobicContact CB-CG2 4.05Å; N69-T165 PolarHBondContact ND2-OG1 2.68Å; E88-T165 PolarHBondContact O-N 2.92Å; E88-T165 PolarHBondContact OE2-OG1 3.18Å
166I97.3Very high92.4Very high2 Ų225 Ų251%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-144.1139.2-178.6-167.4165.3000112.1I4 V5 E88 G90 P164 L168 S198 L200I4-I166 HydrophobicContact CD1-CB 4.27Å; I4-I166 HydrophobicContact CD1-CD1 4.43Å; V5-I166 HydrophobicContact CG2-CD1 3.74Å; E88-I166 PolarHBondContact O-N 3.45Å; G90-I166 PolarHBondContact N-O 3.17Å; P164-I166 PolarHBondContact O-N 2.94Å; I166-L168 HydrophobicContact CD1-CD2 4Å; I166-L168 HydrophobicContact CG1-CD2 4.01Å; I166-L168 HydrophobicContact CG2-CD2 4.26Å; I166-L168 HydrophobicContact CG2-CG 4.42Å; I166-S198 WeakPolarHBondContact CA-O 3.3Å; I166-L200 HydrophobicContact CD1-CB 3.85Å; I166-L200 HydrophobicContact CG1-CB 4.49Å
167L96.6Very high92.2Very high0 Ų028.9 Ų28.90%017%0.172CC..EExtended strand (participates in β ladder)trans-90.5130.5164.1-69.2-173.7000110.3G90 A159 L160 P164 V197 S198 I199 L200G90-L167 WeakPolarHBondContact O-CA 3.48Å; A159-L167 HydrophobicContact CB-CD2 3.79Å; L160-L167 HydrophobicContact CD2-CD1 3.81Å; L160-L167 HydrophobicContact CD2-CD2 4.11Å; L160-L167 HydrophobicContact CD2-CG 4.15Å; L160-L167 HydrophobicContact CG-CD1 4.29Å; P164-L167 HydrophobicContact CG-CD2 3.87Å; L167-V197 HydrophobicContact CB-CG1 4.47Å; L167-V197 HydrophobicContact CD1-CG1 3.7Å; L167-V197 HydrophobicContact CG-CG1 3.7Å; L167-S198 PolarHBondContact N-O 3.37Å; L167-I199 HydrophobicContact CB-CG1 4.24Å; L167-I199 HydrophobicContact CB-CG2 4.44Å; L167-I199 HydrophobicContact CD1-CD1 4.49Å; L167-I199 HydrophobicContact CD1-CG1 4.46Å; L167-I199 CarbonylContact O-C 3.52Å; L167-I199 WeakPolarHBondContact O-CA 3.28Å; L167-L200 PolarHBondContact O-N 3.33Å
168L96.2Very high91.8Very high2 Ų233.3 Ų33.31%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-111.6141.5175.6-60.5-175000110.4L52 L55 A56 I89 G90 F91 I92 I166 L200L52-L168 HydrophobicContact CD1-CB 4.09Å; L52-L168 HydrophobicContact CD1-CD1 4.31Å; L52-L168 HydrophobicContact CD1-CD2 4.11Å; L52-L168 HydrophobicContact CD1-CG 4.4Å; L55-L168 HydrophobicContact CB-CD1 4.24Å; A56-L168 HydrophobicContact CB-CD1 4.15Å; I89-L168 HydrophobicContact CG2-CD1 3.59Å; I89-L168 HydrophobicContact CG2-CG 3.88Å; G90-L168 PolarHBondContact O-N 3.32Å; F91-L168 WeakPolarHBondContact CA-O 3.4Å; F91-L168 HydrophobicContact CD1-CB 3.95Å; F91-L168 HydrophobicContact CE1-CB 3.66Å; F91-L168 HydrophobicContact CE1-CD1 3.97Å; F91-L168 HydrophobicContact CE1-CG 4.41Å; F91-L168 HydrophobicContact CZ-CB 4.23Å; F91-L168 HydrophobicContact CZ-CD1 3.82Å; I92-L168 PolarHBondContact N-O 3.22Å; I166-L168 HydrophobicContact CD1-CD2 4Å; I166-L168 HydrophobicContact CG1-CD2 4.01Å; I166-L168 HydrophobicContact CG2-CD2 4.26Å; I166-L168 HydrophobicContact CG2-CG 4.42Å; L168-L200 WeakPolarHBondContact CA-O 3.34Å; L168-L200 HydrophobicContact CD2-CB 3.8Å; L168-L200 HydrophobicContact CD2-CD2 4.11Å; L168-L200 HydrophobicContact CD2-CG 4.46Å
169G92.7Very high91.5Very high0 Ų037.1 Ų37.10%023%0.226CC..EExtended strand (participates in β ladder)trans-138126.1170.800000111.5L200 V202G169-L200 PolarHBondContact N-O 2.83Å; G169-V202 PolarHBondContact O-N 3.07Å
170D90Very high91.1Very high63 Ų6337.8 Ų37.834%0.33723%0.23SC..EExtended strand (participates in β ladder)trans-98.1104.2169.7-153.74.5000108.5S49 L52 P172 V202S49-D170 PolarHBondContact OG-OD1 3.24Å; S49-D170 PolarHBondContact OG-OD2 3.07Å; L52-D170 HydrophobicContact CD2-CB 3.27Å; D170-P172 VanDerWaalsContact C-CD 3.49Å; D170-P172 VanDerWaalsContact C-N 3.3Å; D170-P172 VanDerWaalsContact O-N 3.14Å; D170-V202 WeakPolarHBondContact OD1-CG1 3.33Å
171E88.7Confident90.8Very high50 Ų5037.7 Ų37.723%0.23423%0.231CC..SBendtrans43.349.6-179.2-52.4-162.316600113.8Q94 T173 G174 V202 H204Q94-E171 PolarHBondContact OE1-O 3.08Å; E171-T173 PolarHBondContact O-N 2.98Å; E171-G174 PolarHBondContact O-N 3.31Å; E171-V202 WeakPolarHBondContact CA-O 3.35Å; E171-V202 HydrophobicContact CG-CG1 4.38Å; E171-V202 PolarHBondContact N-O 2.94Å; E171-H204 IonicContact OE1-CE1 2.93Å; E171-H204 IonicContact OE1-CG 3.55Å; E171-H204 IonicContact OE1-ND1 3.87Å; E171-H204 PolarHBondContact OE1-ND1 3.38Å; E171-H204 IonicContact OE2-CE1 3.17Å; E171-H204 PolarHBondContact OE2-CE1 2.97Å; E171-H204 IonicContact OE2-ND1 2.68Å; E171-H204 PolarHBondContact OE2-ND1 3.03Å; E171-H204 VanDerWaalsContact OE2-ND1 3.15Å
172P87.8Confident90.6Very high0 Ų042.9 Ų42.90%025%0.25CS..THydrogen-bonded Turntrans-68-4.6-169.333.3-39.5000113.5I92 Q94 D170 L184 L201I92-P172 HydrophobicContact CG2-CB 3.96Å; Q94-P172 VanDerWaalsContact CA-O 3.29Å; Q94-P172 WeakPolarHBondContact CA-O 3.35Å; D170-P172 VanDerWaalsContact C-CD 3.49Å; D170-P172 VanDerWaalsContact C-N 3.3Å; D170-P172 VanDerWaalsContact O-N 3.14Å; P172-L184 HydrophobicContact CB-CD2 3.94Å; P172-L184 HydrophobicContact CG-CD2 4.45Å; P172-L184 VanDerWaalsContact O-CD2 3.29Å; P172-L184 WeakPolarHBondContact O-CD2 3.3Å; P172-L201 HydrophobicContact CG-CD1 3.23Å
173T90.2Very high90.4Very high11 Ų1145.2 Ų45.27%0.06726%0.262CS..THydrogen-bonded Turntrans-106.4-6.4176.551.50000113.4E171 A175 L176 A181 L184 L185 S208E171-T173 PolarHBondContact O-N 2.98Å; T173-A175 PolarHBondContact O-N 3.17Å; T173-L176 PolarHBondContact O-N 3.37Å; T173-L176 VanDerWaalsContact O-N 3.1Å; T173-A181 HydrophobicContact CG2-CB 3.94Å; T173-L184 HydrophobicContact CG2-CD2 4.21Å; T173-L185 HydrophobicContact CG2-CD1 3.98Å; T173-L185 HydrophobicContact CG2-CD2 4.11Å; T173-L185 HydrophobicContact CG2-CG 3.86Å; T173-S208 PolarHBondContact OG1-OG 3.42Å
174G84.4Confident90.3Very high50 Ų5039.6 Ų39.652%0.51524%0.236SC..THydrogen-bonded Turntrans-59.8-33.8-164.200000116.6E171E171-G174 PolarHBondContact O-N 3.31Å
175A82.7Confident90.2Very high70 Ų7038.9 Ų38.958%0.57923%0.231SC*.THydrogen-bonded Turntrans-114.714.6175.900000113.9Q94 T173Q94-A175 HydrophobicContact CG-CB 4.2Å; T173-A175 PolarHBondContact O-N 3.17Å
176L84.4Confident90.1Very high35 Ų3540.1 Ų40.118%0.18324%0.236CC..SBendtrans-84.9147.4171.8-64.1-177.5000109.9Q94 F96 T173 A181 L184Q94-L176 HydrophobicContact CG-CG 4.48Å; F96-L176 HydrophobicContact CE1-CD1 4.24Å; F96-L176 HydrophobicContact CE1-CD2 4.24Å; F96-L176 HydrophobicContact CZ-CD1 4.39Å; F96-L176 HydrophobicContact CZ-CD2 3.81Å; T173-L176 PolarHBondContact O-N 3.37Å; T173-L176 VanDerWaalsContact O-N 3.1Å; L176-A181 HydrophobicContact CB-CB 4.09Å; L176-L184 HydrophobicContact CD1-CB 4.4Å; L176-L184 HydrophobicContact CD1-CD2 3.97Å
177D88.5Confident89.8Confident85 Ų8540.3 Ų40.346%0.45524%0.238SC..  trans-65.1163.4165.369.287.5000110.6N179 S180 A181D177-N179 PolarHBondContact O-N 2.94Å; D177-N179 WeakPolarHBondContact OD1-CB 3.38Å; D177-N179 PolarHBondContact OD1-N 3.49Å; D177-S180 PolarHBondContact O-N 3.42Å; D177-S180 PolarHBondContact OD1-N 2.91Å; D177-S180 VanDerWaalsContact OD2-CB 3.25Å; D177-S180 WeakPolarHBondContact OD2-CB 3.44Å; D177-S180 PolarHBondContact OD2-OG 3.43Å; D177-A181 WeakPolarHBondContact O-CB 3.39Å; D177-A181 PolarHBondContact O-N 3.3Å
178S88.3Confident89.6Confident93 Ų9340.4 Ų40.465%0.6524%0.238SC*.Hα-helixtrans-59.8-31.2-173.353.90000114.3R182S178-R182 WeakPolarHBondContact O-CB 3.48Å; S178-R182 PolarHBondContact O-N 3.08Å
179N88.4Confident89.6Confident109 Ų10941.8 Ų41.858%0.58325%0.245SC*.Hα-helixtrans-76.2-47.9177.4-64.4-38.5000110.1D177 A181 R182 D183D177-N179 PolarHBondContact O-N 2.94Å; D177-N179 WeakPolarHBondContact OD1-CB 3.38Å; D177-N179 PolarHBondContact OD1-N 3.49Å; N179-A181 VanDerWaalsContact C-N 3.31Å; N179-A181 PolarHBondContact O-N 3.48Å; N179-R182 WeakPolarHBondContact O-CB 3.24Å; N179-R182 PolarHBondContact O-N 3.32Å; N179-D183 PolarHBondContact O-N 3.47Å
180S86.5Confident89.6Confident23 Ų2347.3 Ų47.316%0.16127%0.27CS..Hα-helixtrans-60.8-39.4176.8-62.50000112.3Q152 D177 D183 L184Q152-S180 PolarHBondContact OE1-O 3.38Å; D177-S180 PolarHBondContact O-N 3.42Å; D177-S180 PolarHBondContact OD1-N 2.91Å; D177-S180 VanDerWaalsContact OD2-CB 3.25Å; D177-S180 WeakPolarHBondContact OD2-CB 3.44Å; D177-S180 PolarHBondContact OD2-OG 3.43Å; S180-D183 PolarHBondContact O-N 3.15Å; S180-L184 PolarHBondContact O-N 3.35Å; S180-L184 VanDerWaalsContact O-N 3.07Å
181A89.7Confident89.7Confident9 Ų944.4 Ų44.47%0.07426%0.255CS..Hα-helixtrans-63.1-44.2174.900000111.7T173 L176 D177 N179 L184 L185T173-A181 HydrophobicContact CG2-CB 3.94Å; L176-A181 HydrophobicContact CB-CB 4.09Å; D177-A181 WeakPolarHBondContact O-CB 3.39Å; D177-A181 PolarHBondContact O-N 3.3Å; N179-A181 VanDerWaalsContact C-N 3.31Å; N179-A181 PolarHBondContact O-N 3.48Å; A181-L184 PolarHBondContact O-N 2.84Å; A181-L185 WeakPolarHBondContact O-CD1 3.45Å; A181-L185 VanDerWaalsContact O-CG 3.26Å; A181-L185 WeakPolarHBondContact O-CG 3.43Å; A181-L185 PolarHBondContact O-N 3.35Å
182R92.3Very high90Very high113 Ų11342.1 Ų42.143%0.42624%0.244SC..Hα-helixtrans-60.9-49175.2173.3176.7-72.6-178.7-2.2111S178 N179 L184 L185 D186 F207S178-R182 WeakPolarHBondContact O-CB 3.48Å; S178-R182 PolarHBondContact O-N 3.08Å; N179-R182 WeakPolarHBondContact O-CB 3.24Å; N179-R182 PolarHBondContact O-N 3.32Å; R182-L184 PolarHBondContact O-N 2.88Å; R182-L185 PolarHBondContact O-N 3.31Å; R182-L185 VanDerWaalsContact O-N 3.13Å; R182-D186 VanDerWaalsContact CG-OD2 3.29Å; R182-D186 WeakPolarHBondContact CG-OD2 3.48Å; R182-D186 WeakPolarHBondContact O-CB 3.47Å; R182-D186 PolarHBondContact O-N 3.48Å; R182-F207 HydrophobicContact CB-CE1 4.43Å; R182-F207 HydrophobicContact CB-CZ 4.41Å
183D89.5Confident90.3Very high74 Ų7447.1 Ų47.140%0.39627%0.268SS..Hα-helixtrans-57.8-36.2179.7-73.9-9.8000111.7Q152 N179 S180 T187Q152-D183 PolarHBondContact NE2-O 3.17Å; N179-D183 PolarHBondContact O-N 3.47Å; S180-D183 PolarHBondContact O-N 3.15Å; D183-T187 WeakPolarHBondContact O-CB 3.21Å; D183-T187 PolarHBondContact O-N 2.91Å; D183-T187 PolarHBondContact O-OG1 3.19Å
184L90.4Very high90.4Very high2 Ų256.1 Ų56.11%0.0130%0.301CS..Hα-helixtrans-65.9-50.3174.6-178.360.3000112.6I92 Q152 P172 T173 L176 S180 A181 R182 D186 T187 M188I92-L184 HydrophobicContact CG2-CD1 3.83Å; I92-L184 HydrophobicContact CG2-CD2 4.12Å; Q152-L184 VanDerWaalsContact CD-CB 3.47Å; Q152-L184 HydrophobicContact CG-CB 4.06Å; Q152-L184 HydrophobicContact CG-CD1 3.48Å; Q152-L184 VanDerWaalsContact CG-CD1 3.48Å; Q152-L184 HydrophobicContact CG-CG 4.28Å; Q152-L184 VanDerWaalsContact NE2-N 3.19Å; Q152-L184 VanDerWaalsContact OE1-N 3.08Å; P172-L184 HydrophobicContact CB-CD2 3.94Å; P172-L184 HydrophobicContact CG-CD2 4.45Å; P172-L184 VanDerWaalsContact O-CD2 3.29Å; P172-L184 WeakPolarHBondContact O-CD2 3.3Å; T173-L184 HydrophobicContact CG2-CD2 4.21Å; L176-L184 HydrophobicContact CD1-CB 4.4Å; L176-L184 HydrophobicContact CD1-CD2 3.97Å; S180-L184 PolarHBondContact O-N 3.35Å; S180-L184 VanDerWaalsContact O-N 3.07Å; A181-L184 PolarHBondContact O-N 2.84Å; R182-L184 PolarHBondContact O-N 2.88Å; L184-D186 VanDerWaalsContact C-N 3.35Å; L184-T187 WeakPolarHBondContact O-CB 3.31Å; L184-T187 PolarHBondContact O-N 2.98Å; L184-M188 HydrophobicContact CD1-CG 4.34Å; L184-M188 HydrophobicContact CD1-SD 4.2Å; L184-M188 HydrophobicContact CG-SD 4.07Å; L184-M188 VanDerWaalsContact O-CG 3.31Å; L184-M188 WeakPolarHBondContact O-CG 3.37Å; L184-M188 PolarHBondContact O-N 3.15Å
185L94Very high90.6Very high0 Ų056.2 Ų56.20%029%0.289CS..Hα-helixtrans-65.9-39.3-178.8-66.3163000111.7T173 A181 R182 M188 E189 L201 F207 Y211T173-L185 HydrophobicContact CG2-CD1 3.98Å; T173-L185 HydrophobicContact CG2-CD2 4.11Å; T173-L185 HydrophobicContact CG2-CG 3.86Å; A181-L185 WeakPolarHBondContact O-CD1 3.45Å; A181-L185 VanDerWaalsContact O-CG 3.26Å; A181-L185 WeakPolarHBondContact O-CG 3.43Å; A181-L185 PolarHBondContact O-N 3.35Å; R182-L185 PolarHBondContact O-N 3.31Å; R182-L185 VanDerWaalsContact O-N 3.13Å; L185-M188 PolarHBondContact O-N 2.85Å; L185-E189 WeakPolarHBondContact O-CB 3.34Å; L185-E189 PolarHBondContact O-N 3.39Å; L185-L201 HydrophobicContact CD2-CD2 4.32Å; L185-F207 HydrophobicContact CD1-CD1 3.97Å; L185-F207 HydrophobicContact CD1-CE1 3.82Å; L185-Y211 HydrophobicContact CB-CD1 3.79Å; L185-Y211 HydrophobicContact CB-CD2 3.69Å; L185-Y211 HydrophobicContact CB-CE1 3.67Å; L185-Y211 HydrophobicContact CB-CE2 3.58Å; L185-Y211 HydrophobicContact CB-CG 3.78Å; L185-Y211 HydrophobicContact CD1-CD2 3.76Å; L185-Y211 HydrophobicContact CD1-CE2 3.54Å; L185-Y211 HydrophobicContact CD2-CD2 4.21Å; L185-Y211 HydrophobicContact CD2-CG 4.41Å; L185-Y211 HydrophobicContact CG-CD2 4.1Å; L185-Y211 HydrophobicContact CG-CE2 4.13Å; L185-Y211 HydrophobicContact CG-CG 4.49Å
186D92.8Very high91.1Very high51 Ų5158.2 Ų58.227%0.27329%0.287SS..Hα-helixtrans-60.9-45.4173.4-72.7-23.1000110.2R182 L184 M188 E189 E190 Y211 R234R182-D186 VanDerWaalsContact CG-OD2 3.29Å; R182-D186 WeakPolarHBondContact CG-OD2 3.48Å; R182-D186 WeakPolarHBondContact O-CB 3.47Å; R182-D186 PolarHBondContact O-N 3.48Å; L184-D186 VanDerWaalsContact C-N 3.35Å; D186-M188 VanDerWaalsContact C-N 3.32Å; D186-M188 PolarHBondContact O-N 2.88Å; D186-E189 PolarHBondContact O-N 3.23Å; D186-E190 WeakPolarHBondContact O-CB 3.48Å; D186-E190 WeakPolarHBondContact O-CG 3.45Å; D186-E190 PolarHBondContact O-N 2.92Å; D186-Y211 VanDerWaalsContact OD1-CE1 3.26Å; D186-Y211 WeakPolarHBondContact OD1-CE1 3.42Å; D186-Y211 PolarHBondContact OD1-OH 3.47Å; D186-R234 IonicContact OD1-NH1 3.27Å
187T91.2Very high91.6Very high6 Ų657.3 Ų57.34%0.03728%0.282CS..Hα-helixtrans-60.7-41.6175.5-58.40000111.6L133 Q152 A156 D183 L184 L191L133-T187 HydrophobicContact CD2-CG2 3.78Å; Q152-T187 PolarHBondContact NE2-OG1 3.01Å; Q152-T187 VanDerWaalsContact NE2-OG1 3.12Å; A156-T187 HydrophobicContact CB-CG2 4.35Å; D183-T187 WeakPolarHBondContact O-CB 3.21Å; D183-T187 PolarHBondContact O-N 2.91Å; D183-T187 PolarHBondContact O-OG1 3.19Å; L184-T187 WeakPolarHBondContact O-CB 3.31Å; L184-T187 PolarHBondContact O-N 2.98Å; T187-L191 HydrophobicContact CG2-CD1 4.15Å; T187-L191 WeakPolarHBondContact O-CB 3.3Å; T187-L191 WeakPolarHBondContact O-CD1 3.26Å; T187-L191 WeakPolarHBondContact O-CG 3.4Å; T187-L191 PolarHBondContact O-N 2.82Å
188M93.9Very high92.1Very high2 Ų253.5 Ų53.51%0.0126%0.262CS..Hα-helixtrans-67.5-41.4178.1-70.1176.168.500111.9F37 I92 L184 L185 D186 L191 N192 I199 L201F37-M188 HydrophobicContact CE1-CB 4.15Å; F37-M188 HydrophobicContact CE2-CE 4.31Å; F37-M188 HydrophobicContact CZ-CB 4.14Å; F37-M188 HydrophobicContact CZ-CE 4.04Å; I92-M188 HydrophobicContact CG2-SD 4.5Å; L184-M188 HydrophobicContact CD1-CG 4.34Å; L184-M188 HydrophobicContact CD1-SD 4.2Å; L184-M188 HydrophobicContact CG-SD 4.07Å; L184-M188 VanDerWaalsContact O-CG 3.31Å; L184-M188 WeakPolarHBondContact O-CG 3.37Å; L184-M188 PolarHBondContact O-N 3.15Å; L185-M188 PolarHBondContact O-N 2.85Å; D186-M188 VanDerWaalsContact C-N 3.32Å; D186-M188 PolarHBondContact O-N 2.88Å; M188-L191 PolarHBondContact O-N 3.13Å; M188-N192 WeakPolarHBondContact O-CB 3.44Å; M188-N192 PolarHBondContact O-N 2.87Å; M188-I199 HydrophobicContact CB-CD1 4.02Å; M188-I199 HydrophobicContact CE-CD1 4.43Å; M188-I199 HydrophobicContact CE-CG2 3.43Å; M188-I199 VanDerWaalsContact CE-CG2 3.43Å; M188-I199 VanDerWaalsContact O-CD1 3.25Å; M188-I199 WeakPolarHBondContact O-CD1 3.08Å; M188-L201 HydrophobicContact CE-CD1 4.37Å
189E94.9Very high92.5Very high32 Ų3249 Ų4915%0.1523%0.231CC..Hα-helixtrans-64.4-42.7175.6-176.6168.1-134.600111.2L185 D186 L191 N192 Q193 Y211 R229L185-E189 WeakPolarHBondContact O-CB 3.34Å; L185-E189 PolarHBondContact O-N 3.39Å; D186-E189 PolarHBondContact O-N 3.23Å; E189-L191 PolarHBondContact O-N 3.06Å; E189-N192 PolarHBondContact O-N 2.62Å; E189-Q193 HydrophobicContact CG-CG 4.1Å; E189-Q193 VanDerWaalsContact CG-NE2 3.27Å; E189-Q193 WeakPolarHBondContact O-CB 3.47Å; E189-Q193 WeakPolarHBondContact O-CG 3.42Å; E189-Q193 PolarHBondContact O-N 3.34Å; E189-Q193 PolarHBondContact OE1-NE2 2.98Å; E189-Y211 HydrophobicContact CB-CD1 4.05Å; E189-R229 IonicContact OE1-CZ 2.75Å; E189-R229 IonicContact OE1-NH1 3.8Å; E189-R229 PolarHBondContact OE1-NH1 3.39Å; E189-R229 VanDerWaalsContact OE1-NH1 3.17Å; E189-R229 IonicContact OE1-NH2 3.4Å
190E92.5Very high92.9Very high115 Ų11543.9 Ų43.954%0.53720%0.203SC..Hα-helixtrans-58.5-48.5174.1-76.9-179.1-177.600111.8D186 N192 Q193 R194D186-E190 WeakPolarHBondContact O-CB 3.48Å; D186-E190 WeakPolarHBondContact O-CG 3.45Å; D186-E190 PolarHBondContact O-N 2.92Å; E190-N192 VanDerWaalsContact C-N 3.29Å; E190-N192 PolarHBondContact O-N 3.07Å; E190-Q193 PolarHBondContact O-N 3.25Å; E190-R194 WeakPolarHBondContact O-CB 3.48Å; E190-R194 PolarHBondContact O-N 3Å
191L93.1Very high93.4Very high3 Ų342.8 Ų42.82%0.01620%0.196CC..Hα-helixtrans-60.2-39.6177.5-74.4168.8000112.3L133 A156 L160 T187 M188 E189 D195 Q196 V197L133-L191 HydrophobicContact CD2-CD1 4.35Å; L133-L191 HydrophobicContact CD2-CD2 3.97Å; L133-L191 HydrophobicContact CD2-CG 4.26Å; A156-L191 HydrophobicContact CB-CD1 4.4Å; L160-L191 HydrophobicContact CD1-CD1 3.66Å; L160-L191 HydrophobicContact CD1-CD2 3.35Å; L160-L191 HydrophobicContact CD1-CG 4.11Å; T187-L191 HydrophobicContact CG2-CD1 4.15Å; T187-L191 WeakPolarHBondContact O-CB 3.3Å; T187-L191 WeakPolarHBondContact O-CD1 3.26Å; T187-L191 WeakPolarHBondContact O-CG 3.4Å; T187-L191 PolarHBondContact O-N 2.82Å; M188-L191 PolarHBondContact O-N 3.13Å; E189-L191 PolarHBondContact O-N 3.06Å; L191-D195 WeakPolarHBondContact O-CB 3.26Å; L191-D195 PolarHBondContact O-N 3.3Å; L191-Q196 PolarHBondContact O-N 3Å; L191-V197 HydrophobicContact CB-CG2 4.44Å; L191-V197 PolarHBondContact O-N 3.15Å
192N95.5Very high93.6Very high2 Ų242.3 Ų42.31%0.01119%0.192CC..Hα-helixtrans-69.7-53178.1174.4-107.2000111.5G35 F37 M188 E189 E190 Q196 V197 I199 Q213G35-N192 PolarHBondContact O-ND2 2.81Å; F37-N192 HydrophobicContact CB-CB 4.43Å; F37-N192 HydrophobicContact CD1-CB 4.19Å; M188-N192 WeakPolarHBondContact O-CB 3.44Å; M188-N192 PolarHBondContact O-N 2.87Å; E189-N192 PolarHBondContact O-N 2.62Å; E190-N192 VanDerWaalsContact C-N 3.29Å; E190-N192 PolarHBondContact O-N 3.07Å; N192-Q196 WeakPolarHBondContact O-CA 3.37Å; N192-Q196 PolarHBondContact O-N 2.7Å; N192-V197 PolarHBondContact ND2-O 3.41Å; N192-I199 HydrophobicContact CB-CD1 3.91Å; N192-I199 HydrophobicContact CB-CG1 4.42Å; N192-Q213 PolarHBondContact OD1-NE2 3.26Å
193Q93.7Very high93.6Very high105 Ų10537 Ų3749%0.49117%0.172SC..Hα-helixtrans-69.8-48.2-174.7-67.9-173.29.900112.3E189 E190 Q196E189-Q193 HydrophobicContact CG-CG 4.1Å; E189-Q193 VanDerWaalsContact CG-NE2 3.27Å; E189-Q193 WeakPolarHBondContact O-CB 3.47Å; E189-Q193 WeakPolarHBondContact O-CG 3.42Å; E189-Q193 PolarHBondContact O-N 3.34Å; E189-Q193 PolarHBondContact OE1-NE2 2.98Å; E190-Q193 PolarHBondContact O-N 3.25Å; Q193-Q196 PolarHBondContact O-NE2 3.26Å
194R91.2Very high93.6Very high200 Ų20038.5 Ų38.576%0.75518%0.177SC*.Hα-helixtrans-76.2-39-173.6-171.3179.5-177.5170.61.8112.4E190E190-R194 WeakPolarHBondContact O-CB 3.48Å; E190-R194 PolarHBondContact O-N 3Å
195D89.2Confident93.7Very high51 Ų5140.7 Ų40.727%0.27319%0.189SC..Hα-helixtrans-1194.6-167.1-48.6-67.1000114R132 L191 V197R132-D195 IonicContact CZ-OD1 2.72Å; R132-D195 IonicContact CZ-OD2 3.89Å; R132-D195 IonicContact NE-OD1 3.82Å; R132-D195 PolarHBondContact NE-OD1 3.46Å; R132-D195 VanDerWaalsContact NE-OD1 3.12Å; R132-D195 IonicContact NE-OD2 3.49Å; R132-D195 PolarHBondContact NE-OD2 3.4Å; R132-D195 IonicContact NH2-OD1 2.93Å; R132-D195 IonicContact NH2-OD2 3.95Å; R132-D195 PolarHBondContact NH2-OD2 2.64Å; L191-D195 WeakPolarHBondContact O-CB 3.26Å; L191-D195 PolarHBondContact O-N 3.3Å; D195-V197 HydrophobicContact CB-CG2 4.25Å; D195-V197 PolarHBondContact O-N 3.45Å
196Q93.6Very high93.7Very high113 Ų11341.7 Ų41.753%0.52820%0.195SC..  trans5932.6174.5-57.1-66-60.500112.7G35 L191 N192 Q193 S198G35-Q196 WeakPolarHBondContact CA-O 3.4Å; L191-Q196 PolarHBondContact O-N 3Å; N192-Q196 WeakPolarHBondContact O-CA 3.37Å; N192-Q196 PolarHBondContact O-N 2.7Å; Q193-Q196 PolarHBondContact O-NE2 3.26Å; Q196-S198 PolarHBondContact O-N 3Å
197V95.1Very high93.8Very high16 Ų1641.7 Ų41.710%0.09719%0.193CC..  trans-71.5124.9171.6178.50000108.3L160 L167 L191 N192 D195 I199L160-V197 HydrophobicContact CD2-CG1 3.97Å; L160-V197 HydrophobicContact CD2-CG2 3.9Å; L167-V197 HydrophobicContact CB-CG1 4.47Å; L167-V197 HydrophobicContact CD1-CG1 3.7Å; L167-V197 HydrophobicContact CG-CG1 3.7Å; L191-V197 HydrophobicContact CB-CG2 4.44Å; L191-V197 PolarHBondContact O-N 3.15Å; N192-V197 PolarHBondContact ND2-O 3.41Å; D195-V197 HydrophobicContact CB-CG2 4.25Å; D195-V197 PolarHBondContact O-N 3.45Å; V197-I199 HydrophobicContact CG1-CG1 4.13Å
198S97.3Very high94Very high4 Ų441.4 Ų41.43%0.02819%0.191CC..  trans-75.3135.5170.7-67.90000110.7I4 E33 K34 G35 E36 I166 L167 Q196I4-S198 WeakPolarHBondContact CD1-OG 2.99Å; E33-S198 PolarHBondContact O-OG 3.15Å; E33-S198 VanDerWaalsContact O-OG 3.12Å; K34-S198 WeakPolarHBondContact CA-OG 3.31Å; G35-S198 PolarHBondContact N-OG 2.92Å; E36-S198 WeakPolarHBondContact O-CA 3.42Å; I166-S198 WeakPolarHBondContact CA-O 3.3Å; L167-S198 PolarHBondContact N-O 3.37Å; Q196-S198 PolarHBondContact O-N 3Å
199I97.5Very high94.1Very high0 Ų041.3 Ų41.30%019%0.19CC..EExtended strand (participates in β ladder)trans-133.2133.2-175.2-52.6-173.5000109.2E36 F37 V38 L167 M188 N192 V197E36-I199 PolarHBondContact O-N 3.42Å; F37-I199 WeakPolarHBondContact CA-O 3.37Å; F37-I199 HydrophobicContact CD1-CD1 4.5Å; F37-I199 HydrophobicContact CD2-CB 3.68Å; F37-I199 HydrophobicContact CD2-CG2 3.7Å; F37-I199 HydrophobicContact CE1-CD1 4.46Å; F37-I199 HydrophobicContact CE2-CB 3.98Å; F37-I199 HydrophobicContact CE2-CG2 3.47Å; F37-I199 VanDerWaalsContact CE2-CG2 3.47Å; F37-I199 HydrophobicContact CG-CB 4.12Å; F37-I199 HydrophobicContact CZ-CG2 4.1Å; V38-I199 PolarHBondContact N-O 2.88Å; L167-I199 HydrophobicContact CB-CG1 4.24Å; L167-I199 HydrophobicContact CB-CG2 4.44Å; L167-I199 HydrophobicContact CD1-CD1 4.49Å; L167-I199 HydrophobicContact CD1-CG1 4.46Å; L167-I199 CarbonylContact O-C 3.52Å; L167-I199 WeakPolarHBondContact O-CA 3.28Å; M188-I199 HydrophobicContact CB-CD1 4.02Å; M188-I199 HydrophobicContact CE-CD1 4.43Å; M188-I199 HydrophobicContact CE-CG2 3.43Å; M188-I199 VanDerWaalsContact CE-CG2 3.43Å; M188-I199 VanDerWaalsContact O-CD1 3.25Å; M188-I199 WeakPolarHBondContact O-CD1 3.08Å; N192-I199 HydrophobicContact CB-CD1 3.91Å; N192-I199 HydrophobicContact CB-CG1 4.42Å; V197-I199 HydrophobicContact CG1-CG1 4.13Å
200L97.5Very high94.2Very high0 Ų039.9 Ų39.90%018%0.184CC..EExtended strand (participates in β ladder)trans-122.7120.8167.5-176.1154.2000110.1F30 V32 V38 I40 L52 L55 I166 L167 L168 G169F30-L200 HydrophobicContact CE2-CD1 3.95Å; F30-L200 HydrophobicContact CZ-CD1 4.23Å; V32-L200 HydrophobicContact CG2-CD1 4.13Å; V38-L200 CarbonylContact O-C 3.52Å; V38-L200 VanDerWaalsContact O-CA 3.28Å; V38-L200 WeakPolarHBondContact O-CA 3.26Å; I40-L200 HydrophobicContact CD1-CD1 4.08Å; I40-L200 HydrophobicContact CD1-CD2 3.91Å; I40-L200 HydrophobicContact CD1-CG 4.23Å; I40-L200 HydrophobicContact CG1-CD2 4.29Å; I40-L200 HydrophobicContact CG1-CG 4.39Å; L52-L200 HydrophobicContact CD1-CD2 3.55Å; L55-L200 HydrophobicContact CD1-CD1 3.66Å; L55-L200 HydrophobicContact CD1-CD2 4.08Å; I166-L200 HydrophobicContact CD1-CB 3.85Å; I166-L200 HydrophobicContact CG1-CB 4.49Å; L167-L200 PolarHBondContact O-N 3.33Å; L168-L200 WeakPolarHBondContact CA-O 3.34Å; L168-L200 HydrophobicContact CD2-CB 3.8Å; L168-L200 HydrophobicContact CD2-CD2 4.11Å; L168-L200 HydrophobicContact CD2-CG 4.46Å; G169-L200 PolarHBondContact N-O 2.83Å
201L95.7Very high94.4Very high0 Ų034.5 Ų34.50%016%0.159CC..EExtended strand (participates in β ladder)trans-114.6126.5-175.6179.570.9000109.8F37 V38 G39 I40 P172 L185 M188 T203F37-L201 HydrophobicContact CE2-CB 4.04Å; F37-L201 HydrophobicContact CE2-CD2 4.4Å; V38-L201 PolarHBondContact O-N 3.42Å; G39-L201 CarbonylContact C-O 3.55Å; G39-L201 VanDerWaalsContact CA-O 3.26Å; G39-L201 WeakPolarHBondContact CA-O 3.46Å; I40-L201 PolarHBondContact N-O 3.45Å; P172-L201 HydrophobicContact CG-CD1 3.23Å; L185-L201 HydrophobicContact CD2-CD2 4.32Å; M188-L201 HydrophobicContact CE-CD1 4.37Å; L201-T203 HydrophobicContact CD2-CG2 4.11Å; L201-T203 HydrophobicContact CG-CG2 4.36Å
202V94.5Very high94.6Very high0 Ų034.3 Ų34.30%016%0.158CC..EExtended strand (participates in β ladder)trans-91.5129.3162.8167.60000108.3I40 K48 L52 G169 D170 E171I40-V202 HydrophobicContact CB-CG2 4.07Å; I40-V202 HydrophobicContact CG2-CG2 4.46Å; K48-V202 HydrophobicContact CB-CG1 3.52Å; K48-V202 HydrophobicContact CB-CG2 4.25Å; K48-V202 HydrophobicContact CD-CG1 4.01Å; K48-V202 HydrophobicContact CG-CG1 4.38Å; L52-V202 HydrophobicContact CB-CG2 4.02Å; L52-V202 HydrophobicContact CD1-CG2 4.06Å; L52-V202 HydrophobicContact CD2-CG2 4.26Å; L52-V202 HydrophobicContact CG-CG2 4.35Å; G169-V202 PolarHBondContact O-N 3.07Å; D170-V202 WeakPolarHBondContact OD1-CG1 3.33Å; E171-V202 WeakPolarHBondContact CA-O 3.35Å; E171-V202 HydrophobicContact CG-CG1 4.38Å; E171-V202 PolarHBondContact N-O 2.94Å
203T92.3Very high94.7Very high2 Ų237.4 Ų37.41%0.01217%0.172CC..  trans-155.1151.4176.2-173.70000111.5I40 M41 L201 D205 A209I40-T203 PolarHBondContact O-N 3.4Å; M41-T203 WeakPolarHBondContact CA-O 2.91Å; M41-T203 HydrophobicContact CG-CG2 4.29Å; L201-T203 HydrophobicContact CD2-CG2 4.11Å; L201-T203 HydrophobicContact CG-CG2 4.36Å; T203-D205 PolarHBondContact OG1-N 2.72Å; T203-A209 HydrophobicContact CG2-CB 4.01Å
204H90.2Very high94.9Very high104 Ų10433.2 Ų33.248%0.48115%0.152SC..SBendtrans-102.2-6.6164.662.9-91.5000112.1E171 P206E171-H204 IonicContact OE1-CE1 2.93Å; E171-H204 IonicContact OE1-CG 3.55Å; E171-H204 IonicContact OE1-ND1 3.87Å; E171-H204 PolarHBondContact OE1-ND1 3.38Å; E171-H204 IonicContact OE2-CE1 3.17Å; E171-H204 PolarHBondContact OE2-CE1 2.97Å; E171-H204 IonicContact OE2-ND1 2.68Å; E171-H204 PolarHBondContact OE2-ND1 3.03Å; E171-H204 VanDerWaalsContact OE2-ND1 3.15Å; H204-P206 WeakPolarHBondContact O-CD 3.16Å
205D91.6Very high95.2Very high49 Ų4923.7 Ų23.726%0.26212%0.116SC..  trans-86.9118.1-178.2167.738.7000111.4T203 F207 S208 A209T203-D205 PolarHBondContact OG1-N 2.72Å; D205-F207 PolarHBondContact O-N 3.34Å; D205-F207 WeakPolarHBondContact OD1-CB 3.31Å; D205-F207 PolarHBondContact OD1-N 3.16Å; D205-F207 WeakPolarHBondContact OD2-CB 3.47Å; D205-S208 PolarHBondContact O-N 2.7Å; D205-S208 VanDerWaalsContact OD2-CB 3.3Å; D205-S208 WeakPolarHBondContact OD2-CB 3.09Å; D205-S208 PolarHBondContact OD2-N 2.71Å; D205-S208 PolarHBondContact OD2-OG 2.87Å; D205-A209 PolarHBondContact O-N 3.14Å
206P94.1Very high95.6Very high20 Ų2021.2 Ų21.213%0.1310%0.103CC..Hα-helixtrans-59.9-30.5177.1-21.733.4000113M41 H204 A209 S210 Y238 I241 L242 L245M41-P206 HydrophobicContact CE-CG 4.49Å; H204-P206 WeakPolarHBondContact O-CD 3.16Å; P206-A209 PolarHBondContact O-N 2.88Å; P206-S210 PolarHBondContact O-N 3.23Å; P206-Y238 HydrophobicContact CB-CD2 4.07Å; P206-Y238 HydrophobicContact CB-CE2 3.69Å; P206-Y238 WeakPolarHBondContact O-CD2 3.4Å; P206-I241 HydrophobicContact CB-CG2 3.91Å; P206-L242 HydrophobicContact CB-CD2 3.9Å; P206-L242 HydrophobicContact CB-CG 4.34Å; P206-L242 HydrophobicContact CG-CD2 3.74Å; P206-L245 HydrophobicContact CB-CD1 4.33Å; P206-L245 HydrophobicContact CG-CD1 3.55Å
207F95.2Very high95.7Very high52 Ų5215.9 Ų15.923%0.2288%0.078CC..Hα-helixtrans-66.5-49.8179.8175.1-101.7000110.5R182 L185 D205 A209 S210 Y211 Y238R182-F207 HydrophobicContact CB-CE1 4.43Å; R182-F207 HydrophobicContact CB-CZ 4.41Å; L185-F207 HydrophobicContact CD1-CD1 3.97Å; L185-F207 HydrophobicContact CD1-CE1 3.82Å; D205-F207 PolarHBondContact O-N 3.34Å; D205-F207 WeakPolarHBondContact OD1-CB 3.31Å; D205-F207 PolarHBondContact OD1-N 3.16Å; D205-F207 WeakPolarHBondContact OD2-CB 3.47Å; F207-A209 VanDerWaalsContact C-N 3.34Å; F207-A209 PolarHBondContact O-N 3.41Å; F207-S210 WeakPolarHBondContact O-CB 3.36Å; F207-S210 PolarHBondContact O-N 2.92Å; F207-S210 PolarHBondContact O-OG 3.2Å; F207-Y211 HydrophobicContact CD1-CE2 4.37Å; F207-Y211 AromaticContact CE1-CE2 3.88Å; F207-Y211 HydrophobicContact CE1-CE2 3.88Å; F207-Y211 HydrophobicContact CE2-CE2 4.29Å; F207-Y211 AromaticContact CZ-CE2 3.83Å; F207-Y211 HydrophobicContact CZ-CE2 3.83Å; F207-Y211 WeakPolarHBondContact CZ-OH 3.37Å; F207-Y211 WeakPolarHBondContact O-CD2 3.29Å; F207-Y238 HydrophobicContact CB-CE2 4.11Å
208S95.2Very high95.7Very high0 Ų015.1 Ų15.10%07%0.073CC..Hα-helixtrans-58-44.6173.4-59.50000112.1T173 D205 S210 Y211T173-S208 PolarHBondContact OG1-OG 3.42Å; D205-S208 PolarHBondContact O-N 2.7Å; D205-S208 VanDerWaalsContact OD2-CB 3.3Å; D205-S208 WeakPolarHBondContact OD2-CB 3.09Å; D205-S208 PolarHBondContact OD2-N 2.71Å; D205-S208 PolarHBondContact OD2-OG 2.87Å; S208-S210 PolarHBondContact O-N 3.03Å; S208-Y211 PolarHBondContact O-N 2.89Å
209A96.2Very high95.4Very high0 Ų019.1 Ų19.10%09%0.091CC..Hα-helixtrans-61.8-31.1177.900000113.2M41 T203 D205 P206 F207 Y211 C212 I215 I241M41-A209 HydrophobicContact CE-CB 3.85Å; M41-A209 HydrophobicContact CG-CB 4.08Å; M41-A209 HydrophobicContact SD-CB 3.25Å; M41-A209 WeakPolarHBondContact SD-CB 3.29Å; T203-A209 HydrophobicContact CG2-CB 4.01Å; D205-A209 PolarHBondContact O-N 3.14Å; P206-A209 PolarHBondContact O-N 2.88Å; F207-A209 VanDerWaalsContact C-N 3.34Å; F207-A209 PolarHBondContact O-N 3.41Å; A209-Y211 PolarHBondContact O-N 3.18Å; A209-Y211 VanDerWaalsContact O-N 3.12Å; A209-C212 VanDerWaalsContact O-CB 3.29Å; A209-C212 WeakPolarHBondContact O-CB 3.29Å; A209-C212 PolarHBondContact O-N 2.88Å; A209-I215 HydrophobicContact CB-CD1 3.76Å; A209-I215 HydrophobicContact CB-CG1 4.43Å; A209-I241 HydrophobicContact CB-CD1 3.93Å
210S96.8Very high95.1Very high2 Ų224.5 Ų24.51%0.01412%0.12CC..THydrogen-bonded Turntrans-63-19.9-179.977.50000114.6P206 F207 S208 C212 R234P206-S210 PolarHBondContact O-N 3.23Å; F207-S210 WeakPolarHBondContact O-CB 3.36Å; F207-S210 PolarHBondContact O-N 2.92Å; F207-S210 PolarHBondContact O-OG 3.2Å; S208-S210 PolarHBondContact O-N 3.03Å; S210-C212 VanDerWaalsContact C-N 3.31Å; S210-R234 WeakPolarHBondContact OG-CG 3.47Å
211Y97.1Very high94.9Very high1 Ų124.5 Ų24.50%0.00412%0.12CC..THydrogen-bonded Turntrans-75.1-20.8173.6-72.7-98.2000113.1F37 L185 D186 E189 F207 S208 A209 R234F37-Y211 WeakPolarHBondContact CD1-O 3.36Å; L185-Y211 HydrophobicContact CB-CD1 3.79Å; L185-Y211 HydrophobicContact CB-CD2 3.69Å; L185-Y211 HydrophobicContact CB-CE1 3.67Å; L185-Y211 HydrophobicContact CB-CE2 3.58Å; L185-Y211 HydrophobicContact CB-CG 3.78Å; L185-Y211 HydrophobicContact CD1-CD2 3.76Å; L185-Y211 HydrophobicContact CD1-CE2 3.54Å; L185-Y211 HydrophobicContact CD2-CD2 4.21Å; L185-Y211 HydrophobicContact CD2-CG 4.41Å; L185-Y211 HydrophobicContact CG-CD2 4.1Å; L185-Y211 HydrophobicContact CG-CE2 4.13Å; L185-Y211 HydrophobicContact CG-CG 4.49Å; D186-Y211 VanDerWaalsContact OD1-CE1 3.26Å; D186-Y211 WeakPolarHBondContact OD1-CE1 3.42Å; D186-Y211 PolarHBondContact OD1-OH 3.47Å; E189-Y211 HydrophobicContact CB-CD1 4.05Å; F207-Y211 HydrophobicContact CD1-CE2 4.37Å; F207-Y211 AromaticContact CE1-CE2 3.88Å; F207-Y211 HydrophobicContact CE1-CE2 3.88Å; F207-Y211 HydrophobicContact CE2-CE2 4.29Å; F207-Y211 AromaticContact CZ-CE2 3.83Å; F207-Y211 HydrophobicContact CZ-CE2 3.83Å; F207-Y211 WeakPolarHBondContact CZ-OH 3.37Å; F207-Y211 WeakPolarHBondContact O-CD2 3.29Å; S208-Y211 PolarHBondContact O-N 2.89Å; A209-Y211 PolarHBondContact O-N 3.18Å; A209-Y211 VanDerWaalsContact O-N 3.12Å; Y211-R234 PolarHBondContact OH-NH1 3.27Å
212C97.5Very high94.9Very high0 Ų027.1 Ų27.10%014%0.136CC..SBendtrans-73.6152179.2-57.10000110.6F37 G39 A209 S210 I215 F237F37-C212 HydrophobicContact CD2-CB 4.32Å; G39-C212 VanDerWaalsContact CA-SG 3.57Å; G39-C212 PolarHBondContact N-SG 2.85Å; A209-C212 VanDerWaalsContact O-CB 3.29Å; A209-C212 WeakPolarHBondContact O-CB 3.29Å; A209-C212 PolarHBondContact O-N 2.88Å; S210-C212 VanDerWaalsContact C-N 3.31Å; C212-I215 HydrophobicContact CB-CD1 3.55Å; C212-F237 VanDerWaalsContact O-CE1 3.32Å; C212-F237 WeakPolarHBondContact O-CE1 3.4Å
213Q97Very high95Very high67 Ų6729.3 Ų29.331%0.31315%0.147SC..SBendtrans-83.2-27.1172.7-60.4173.922.700111.6F37 N192 K228 R229F37-Q213 HydrophobicContact CB-CG 4.18Å; F37-Q213 PolarHBondContact O-N 2.88Å; N192-Q213 PolarHBondContact OD1-NE2 3.26Å; Q213-K228 CarbonylContact O-C 3.55Å; Q213-K228 WeakPolarHBondContact O-CA 3.48Å; Q213-R229 PolarHBondContact O-N 3.39Å
214R97.6Very high95Very high16 Ų1632.9 Ų32.96%0.0616%0.161CC..EExtended strand (participates in β ladder)trans-141.2141.9177.9173.5169.755.8142.84.3110.6E31 E36 F37 V38 G39 E226 V227 K228E31-R214 PolarHBondContact O-NH1 2.8Å; E31-R214 PolarHBondContact O-NH2 2.84Å; E36-R214 IonicContact OE1-CZ 3.19Å; E36-R214 IonicContact OE1-NE 3.15Å; E36-R214 PolarHBondContact OE1-NE 2.98Å; E36-R214 IonicContact OE1-NH2 3.74Å; E36-R214 PolarHBondContact OE1-NH2 2.8Å; E36-R214 IonicContact OE2-CZ 3.17Å; E36-R214 IonicContact OE2-NH2 3.61Å; E36-R214 PolarHBondContact OE2-NH2 2.89Å; F37-R214 PolarHBondContact O-N 3.12Å; V38-R214 CarbonylContact C-O 3.56Å; V38-R214 WeakPolarHBondContact CA-O 3.48Å; G39-R214 PolarHBondContact N-O 3.11Å; R214-E226 WeakPolarHBondContact CD-OE1 3.16Å; R214-E226 HydrophobicContact CG-CG 4.04Å; R214-E226 IonicContact NE-OE1 2.74Å; R214-E226 IonicContact NH1-OE1 3.05Å; R214-E226 PolarHBondContact NH1-OE1 3.17Å; R214-E226 IonicContact NH1-OE2 3.66Å; R214-E226 PolarHBondContact NH1-OE2 3.01Å; R214-V227 CarbonylContact C-O 3.5Å; R214-V227 VanDerWaalsContact CA-O 3.32Å; R214-V227 WeakPolarHBondContact CA-O 3.42Å; R214-K228 HydrophobicContact CB-CG 4.19Å; R214-K228 HydrophobicContact CG-CG 4.1Å
215I97.9Very high95.2Very high0 Ų031.4 Ų31.40%015%0.154CC..EExtended strand (participates in β ladder)trans-119.1132.4172.6-57.3-61.1000110.2G39 M41 A209 C212 F217 E226 V227 F237 I241G39-I215 CarbonylContact O-C 3.57Å; G39-I215 WeakPolarHBondContact O-CA 3.41Å; M41-I215 HydrophobicContact CB-CG2 4Å; M41-I215 HydrophobicContact CG-CG2 3.69Å; M41-I215 HydrophobicContact SD-CG2 3.9Å; A209-I215 HydrophobicContact CB-CD1 3.76Å; A209-I215 HydrophobicContact CB-CG1 4.43Å; C212-I215 HydrophobicContact CB-CD1 3.55Å; I215-F217 HydrophobicContact CB-CE2 4.26Å; I215-F217 HydrophobicContact CG2-CD1 4.34Å; I215-F217 HydrophobicContact CG2-CD2 3.96Å; I215-F217 HydrophobicContact CG2-CE1 4.08Å; I215-F217 HydrophobicContact CG2-CE2 3.71Å; I215-F217 HydrophobicContact CG2-CG 4.27Å; I215-F217 HydrophobicContact CG2-CZ 3.76Å; I215-E226 WeakPolarHBondContact O-CA 3.37Å; I215-V227 HydrophobicContact CB-CG2 3.79Å; I215-V227 HydrophobicContact CG1-CG2 4.41Å; I215-V227 PolarHBondContact N-O 3.01Å; I215-V227 PolarHBondContact O-N 3.09Å; I215-F237 HydrophobicContact CG1-CE1 4Å; I215-F237 HydrophobicContact CG1-CZ 3.79Å; I215-I241 HydrophobicContact CG1-CD1 4.19Å
216L97.2Very high95.4Very high0 Ų033.1 Ų33.10%016%0.161CC..EExtended strand (participates in β ladder)trans-104.7115.4168.8-55.7175.4000108.3F30 V38 G39 I40 M41 I223 E226F30-L216 HydrophobicContact CB-CD1 3.94Å; F30-L216 HydrophobicContact CD1-CD1 4.26Å; F30-L216 HydrophobicContact CD2-CD1 3.51Å; F30-L216 HydrophobicContact CE2-CD1 4.01Å; F30-L216 HydrophobicContact CG-CD1 3.64Å; V38-L216 HydrophobicContact CG1-CD1 4.02Å; V38-L216 HydrophobicContact CG1-CG 4.1Å; G39-L216 PolarHBondContact O-N 3.12Å; I40-L216 WeakPolarHBondContact CA-O 3.48Å; I40-L216 HydrophobicContact CG1-CB 4.46Å; M41-L216 PolarHBondContact N-O 2.94Å; L216-I223 HydrophobicContact CB-CD1 4.37Å; L216-I223 HydrophobicContact CB-CG2 4.49Å; L216-I223 HydrophobicContact CD1-CD1 4.08Å; L216-E226 HydrophobicContact CD2-CB 4.03Å; L216-E226 HydrophobicContact CD2-CG 3.8Å
217F96.1Very high95.6Very high0 Ų032.7 Ų32.70%016%0.158CC..EExtended strand (participates in β ladder)trans-89.9124.4175.4-65.3-88.3000110.5M41 I215 I223 Y224 Q225 V227 I241 I244 L245M41-F217 HydrophobicContact CB-CD1 3.72Å; M41-F217 HydrophobicContact CB-CE1 3.87Å; M41-F217 HydrophobicContact CG-CE1 4.46Å; M41-F217 CarbonylContact O-C 3.53Å; M41-F217 WeakPolarHBondContact O-CA 3.29Å; M41-F217 HydrophobicContact SD-CE1 3.9Å; M41-F217 HydrophobicContact SD-CZ 4.36Å; I215-F217 HydrophobicContact CB-CE2 4.26Å; I215-F217 HydrophobicContact CG2-CD1 4.34Å; I215-F217 HydrophobicContact CG2-CD2 3.96Å; I215-F217 HydrophobicContact CG2-CE1 4.08Å; I215-F217 HydrophobicContact CG2-CE2 3.71Å; I215-F217 HydrophobicContact CG2-CG 4.27Å; I215-F217 HydrophobicContact CG2-CZ 3.76Å; F217-I223 WeakPolarHBondContact O-CA 3.08Å; F217-Y224 HydrophobicContact CB-CD1 4.01Å; F217-Y224 HydrophobicContact CB-CE1 3.3Å; F217-Y224 HydrophobicContact CB-CE2 4.25Å; F217-Y224 VanDerWaalsContact CB-CZ 3.4Å; F217-Y224 WeakPolarHBondContact CB-OH 3.39Å; F217-Y224 HydrophobicContact CG-CE1 4.37Å; F217-Y224 WeakPolarHBondContact O-CD1 3.43Å; F217-Y224 PolarHBondContact O-N 3.18Å; F217-Q225 HydrophobicContact CB-CB 4.33Å; F217-Q225 HydrophobicContact CD2-CB 4.22Å; F217-Q225 HydrophobicContact CD2-CG 4.37Å; F217-Q225 PolarHBondContact N-O 3.26Å; F217-V227 HydrophobicContact CD2-CG2 4.44Å; F217-V227 HydrophobicContact CE2-CG1 4.43Å; F217-V227 HydrophobicContact CE2-CG2 3.59Å; F217-V227 HydrophobicContact CZ-CG2 4.39Å; F217-I241 HydrophobicContact CZ-CG2 4.31Å; F217-I244 HydrophobicContact CD1-CG2 4.3Å; F217-I244 HydrophobicContact CD2-CG2 4.23Å; F217-I244 HydrophobicContact CE1-CG2 3.99Å; F217-I244 HydrophobicContact CE2-CB 4.43Å; F217-I244 HydrophobicContact CE2-CD1 3.78Å; F217-I244 HydrophobicContact CE2-CG2 3.87Å; F217-I244 HydrophobicContact CG-CG2 4.42Å; F217-I244 HydrophobicContact CZ-CB 4.09Å; F217-I244 HydrophobicContact CZ-CD1 4.04Å; F217-I244 HydrophobicContact CZ-CG2 3.76Å; F217-L245 HydrophobicContact CD1-CD2 4.44Å; F217-L245 HydrophobicContact CE1-CD2 4.04Å; F217-L245 HydrophobicContact CE1-CG 4.31Å
218I94.4Very high95.6Very high1 Ų135.2 Ų35.21%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-108.7127.4178.7-62.7-179.7000110I28 I40 M41 G42 S46 L51 V222 I223I28-I218 HydrophobicContact CD1-CD1 3.87Å; I28-I218 HydrophobicContact CD1-CG1 4.43Å; I28-I218 HydrophobicContact CD1-CG2 4.48Å; I40-I218 HydrophobicContact CG2-CD1 3.36Å; I40-I218 HydrophobicContact CG2-CG1 3.91Å; M41-I218 PolarHBondContact O-N 3.21Å; G42-I218 VanDerWaalsContact CA-O 3.3Å; G42-I218 WeakPolarHBondContact CA-O 3.45Å; S46-I218 WeakPolarHBondContact CB-O 3.26Å; S46-I218 WeakPolarHBondContact O-CG2 3.37Å; S46-I218 PolarHBondContact OG-O 3.1Å; L51-I218 HydrophobicContact CD2-CD1 3.56Å; I218-V222 VanDerWaalsContact CA-O 3.26Å; I218-V222 WeakPolarHBondContact CA-O 3.44Å; I218-I223 HydrophobicContact CG1-CG1 3.96Å
219E92Very high95.7Very high88 Ų8837 Ų3741%0.41118%0.175SC..EExtended strand (participates in β ladder)trans-132.3135.1172.5-175.2174-155.700108G221 V222 Y224E219-G221 PolarHBondContact O-N 3.07Å; E219-V222 PolarHBondContact N-O 3.44Å; E219-V222 WeakPolarHBondContact O-CG2 3.47Å; E219-V222 PolarHBondContact O-N 3.35Å; E219-V222 VanDerWaalsContact O-O 3.11Å; E219-Y224 HydrophobicContact CB-CD1 3.43Å; E219-Y224 VanDerWaalsContact CB-CD1 3.43Å; E219-Y224 HydrophobicContact CB-CE1 3.84Å; E219-Y224 HydrophobicContact CB-CG 4.33Å
220D91.4Very high95.5Very high113 Ų11344.3 Ų44.360%0.60421%0.21SC*.THydrogen-bonded Turntrans50.533.6174.3-85.8-4.7000115.5K26K26-D220 WeakPolarHBondContact CD-O 3.37Å; K26-D220 WeakPolarHBondContact CE-O 3.43Å; K26-D220 PolarHBondContact NZ-O 2.77Å
221G93.6Very high95.3Very high0 Ų052.2 Ų52.20%025%0.252CS..THydrogen-bonded Turntrans78.313178.300000115.3A24 K26 I28 S46 E219A24-G221 WeakPolarHBondContact O-CA 3.48Å; K26-G221 PolarHBondContact N-O 2.89Å; I28-G221 VanDerWaalsContact CG1-O 3.29Å; I28-G221 WeakPolarHBondContact CG1-O 3.23Å; S46-G221 WeakPolarHBondContact O-CA 3.37Å; S46-G221 PolarHBondContact O-N 3.23Å; E219-G221 PolarHBondContact O-N 3.07Å
222V95.5Very high95.1Very high55 Ų5555.9 Ų55.933%0.33327%0.269SS..EExtended strand (participates in β ladder)trans-124.6152173.1-62.40000111K26 I218 E219 Y224K26-V222 HydrophobicContact CB-CG1 3.78Å; I218-V222 VanDerWaalsContact CA-O 3.26Å; I218-V222 WeakPolarHBondContact CA-O 3.44Å; E219-V222 PolarHBondContact N-O 3.44Å; E219-V222 WeakPolarHBondContact O-CG2 3.47Å; E219-V222 PolarHBondContact O-N 3.35Å; E219-V222 VanDerWaalsContact O-O 3.11Å; V222-Y224 PolarHBondContact O-N 2.88Å
223I95.4Very high95.1Very high45 Ų4560.3 Ų60.323%0.23130%0.296CS..EExtended strand (participates in β ladder)trans-79.8115.1166.1-64172.1000106.8I28 F30 L216 F217 I218I28-I223 HydrophobicContact CD1-CG1 4.48Å; I28-I223 HydrophobicContact CG2-CD1 3.63Å; I28-I223 HydrophobicContact CG2-CG1 3.99Å; F30-I223 HydrophobicContact CB-CD1 3.91Å; F30-I223 HydrophobicContact CD1-CD1 3.71Å; F30-I223 HydrophobicContact CG-CD1 4.09Å; L216-I223 HydrophobicContact CB-CD1 4.37Å; L216-I223 HydrophobicContact CB-CG2 4.49Å; L216-I223 HydrophobicContact CD1-CD1 4.08Å; F217-I223 WeakPolarHBondContact O-CA 3.08Å; I218-I223 HydrophobicContact CG1-CG1 3.96Å
224Y93.2Very high95Very high77 Ų7761 Ų6130%0.30230%0.296SS..EExtended strand (participates in β ladder)trans-99.1-24.3-179.778.3-93.3000112.3F217 E219 V222 L248F217-Y224 HydrophobicContact CB-CD1 4.01Å; F217-Y224 HydrophobicContact CB-CE1 3.3Å; F217-Y224 HydrophobicContact CB-CE2 4.25Å; F217-Y224 VanDerWaalsContact CB-CZ 3.4Å; F217-Y224 WeakPolarHBondContact CB-OH 3.39Å; F217-Y224 HydrophobicContact CG-CE1 4.37Å; F217-Y224 WeakPolarHBondContact O-CD1 3.43Å; F217-Y224 PolarHBondContact O-N 3.18Å; E219-Y224 HydrophobicContact CB-CD1 3.43Å; E219-Y224 VanDerWaalsContact CB-CD1 3.43Å; E219-Y224 HydrophobicContact CB-CE1 3.84Å; E219-Y224 HydrophobicContact CB-CG 4.33Å; V222-Y224 PolarHBondContact O-N 2.88Å; Y224-L248 HydrophobicContact CE1-CD1 4.35Å; Y224-L248 HydrophobicContact CE1-CD2 4.01Å; Y224-L248 HydrophobicContact CE2-CD2 4.42Å; Y224-L248 WeakPolarHBondContact OH-CD1 3.43Å; Y224-L248 WeakPolarHBondContact OH-CG 3.25Å
225Q94.6Very high94.9Very high74 Ų7465.8 Ų65.835%0.34632%0.319SS..EExtended strand (participates in β ladder)trans-149.4144.7-179.8-172.6166.912.300112F217 V227F217-Q225 HydrophobicContact CB-CB 4.33Å; F217-Q225 HydrophobicContact CD2-CB 4.22Å; F217-Q225 HydrophobicContact CD2-CG 4.37Å; F217-Q225 PolarHBondContact N-O 3.26Å; Q225-V227 HydrophobicContact CG-CG1 4.41Å
226E96.3Very high94.9Very high85 Ų8567.8 Ų67.840%0.39734%0.335SS..EExtended strand (participates in β ladder)trans-123.4137.4171.5175.2174.615300108.9R214 I215 L216 K228R214-E226 WeakPolarHBondContact CD-OE1 3.16Å; R214-E226 HydrophobicContact CG-CG 4.04Å; R214-E226 IonicContact NE-OE1 2.74Å; R214-E226 IonicContact NH1-OE1 3.05Å; R214-E226 PolarHBondContact NH1-OE1 3.17Å; R214-E226 IonicContact NH1-OE2 3.66Å; R214-E226 PolarHBondContact NH1-OE2 3.01Å; I215-E226 WeakPolarHBondContact O-CA 3.37Å; L216-E226 HydrophobicContact CD2-CB 4.03Å; L216-E226 HydrophobicContact CD2-CG 3.8Å; E226-K228 WeakPolarHBondContact OE1-CE 3.31Å; E226-K228 IonicContact OE1-NZ 3.53Å
227V96.5Very high94.9Very high11 Ų1167.8 Ų67.87%0.06734%0.335CS..EExtended strand (participates in β ladder)trans-134.5143.5172-66.90000111.1R214 I215 F217 Q225 F237 I244R214-V227 CarbonylContact C-O 3.5Å; R214-V227 VanDerWaalsContact CA-O 3.32Å; R214-V227 WeakPolarHBondContact CA-O 3.42Å; I215-V227 HydrophobicContact CB-CG2 3.79Å; I215-V227 HydrophobicContact CG1-CG2 4.41Å; I215-V227 PolarHBondContact N-O 3.01Å; I215-V227 PolarHBondContact O-N 3.09Å; F217-V227 HydrophobicContact CD2-CG2 4.44Å; F217-V227 HydrophobicContact CE2-CG1 4.43Å; F217-V227 HydrophobicContact CE2-CG2 3.59Å; F217-V227 HydrophobicContact CZ-CG2 4.39Å; Q225-V227 HydrophobicContact CG-CG1 4.41Å; V227-F237 HydrophobicContact CB-CE2 4.37Å; V227-F237 HydrophobicContact CG2-CE2 3.97Å; V227-F237 HydrophobicContact CG2-CZ 4.14Å; V227-I244 HydrophobicContact CG1-CD1 3.6Å; V227-I244 HydrophobicContact CG2-CD1 4.33Å
228K97Very high94.9Very high105 Ų10571.6 Ų71.646%0.45735%0.35SS..EExtended strand (participates in β ladder)trans-116.9140.3177.9-63.7-177-179.8178.80109.8Q213 R214 E226 E230Q213-K228 CarbonylContact O-C 3.55Å; Q213-K228 WeakPolarHBondContact O-CA 3.48Å; R214-K228 HydrophobicContact CB-CG 4.19Å; R214-K228 HydrophobicContact CG-CG 4.1Å; E226-K228 WeakPolarHBondContact OE1-CE 3.31Å; E226-K228 IonicContact OE1-NZ 3.53Å; K228-E230 HydrophobicContact CB-CG 3.79Å
229R96Very high95Very high37 Ų3779.1 Ų79.114%0.1438%0.379CS..  trans-67.8-39.2175.7-173.3170.781.8174.95.1111.4E189 Q213 N231 Q232 F237E189-R229 IonicContact OE1-CZ 2.75Å; E189-R229 IonicContact OE1-NH1 3.8Å; E189-R229 PolarHBondContact OE1-NH1 3.39Å; E189-R229 VanDerWaalsContact OE1-NH1 3.17Å; E189-R229 IonicContact OE1-NH2 3.4Å; Q213-R229 PolarHBondContact O-N 3.39Å; R229-N231 PolarHBondContact O-N 2.78Å; R229-N231 VanDerWaalsContact O-N 3.16Å; R229-Q232 HydrophobicContact CG-CB 4.39Å; R229-Q232 WeakPolarHBondContact O-CB 3.42Å; R229-Q232 VanDerWaalsContact O-CG 3.29Å; R229-Q232 WeakPolarHBondContact O-CG 3.39Å; R229-Q232 PolarHBondContact O-N 2.82Å; R229-F237 HydrophobicContact CB-CD1 3.8Å; R229-F237 HydrophobicContact CB-CD2 4.06Å; R229-F237 HydrophobicContact CB-CE1 3.9Å; R229-F237 HydrophobicContact CB-CE2 4.15Å; R229-F237 HydrophobicContact CB-CG 3.88Å; R229-F237 HydrophobicContact CB-CZ 4.07Å; R229-F237 HydrophobicContact CG-CB 3.91Å; R229-F237 HydrophobicContact CG-CD1 3.87Å; R229-F237 HydrophobicContact CG-CD2 4.33Å; R229-F237 HydrophobicContact CG-CE1 4.47Å; R229-F237 HydrophobicContact CG-CG 3.79Å
230E92.4Very high95.2Very high154 Ų15478 Ų7872%0.7237%0.373SS*.THydrogen-bonded Turntrans49-117.4-177.8-56.5-174.3161.800111.9K228K228-E230 HydrophobicContact CB-CG 3.79Å
231N92.6Very high95.3Very high168 Ų16872.6 Ų72.690%0.89834%0.344SS*.THydrogen-bonded Turntrans-95.54.9-179.3-62-38.1000113.4R229R229-N231 PolarHBondContact O-N 2.78Å; R229-N231 VanDerWaalsContact O-N 3.16Å
232Q93.9Very high95.4Very high78 Ų7876.1 Ų76.136%0.36436%0.363SS..  trans-70.7149.2179.3-61.7177.5-1600111.2R229 A236 Q240R229-Q232 HydrophobicContact CG-CB 4.39Å; R229-Q232 WeakPolarHBondContact O-CB 3.42Å; R229-Q232 VanDerWaalsContact O-CG 3.29Å; R229-Q232 WeakPolarHBondContact O-CG 3.39Å; R229-Q232 PolarHBondContact O-N 2.82Å; Q232-A236 HydrophobicContact CB-CB 4.29Å; Q232-Q240 VanDerWaalsContact OE1-OE1 3.1Å
233T95.9Very high95.3Very high92 Ų9277 Ų7756%0.56437%0.371SS*.  trans-67.2155.1167.267.70000110.1E235 A236 F237T233-E235 PolarHBondContact O-N 3.47Å; T233-A236 PolarHBondContact O-N 2.76Å; T233-A236 VanDerWaalsContact O-N 3.12Å; T233-A236 WeakPolarHBondContact OG1-CB 3.25Å; T233-A236 PolarHBondContact OG1-N 3.04Å; T233-F237 PolarHBondContact O-N 3Å
234R95.3Very high95.1Very high83 Ų8375.5 Ų75.531%0.31336%0.363SS..Hα-helixtrans-53.8-38.7175-171.8177.175.4-171.65112.2D186 S210 Y211 F237 Y238D186-R234 IonicContact OD1-NH1 3.27Å; S210-R234 WeakPolarHBondContact OG-CG 3.47Å; Y211-R234 PolarHBondContact OH-NH1 3.27Å; R234-F237 PolarHBondContact O-N 3.02Å; R234-Y238 VanDerWaalsContact O-CB 3.29Å; R234-Y238 WeakPolarHBondContact O-CB 3.39Å; R234-Y238 PolarHBondContact O-N 3.29Å
235E95.9Very high94.9Very high116 Ų11673.6 Ų73.654%0.54236%0.359SS..Hα-helixtrans-67.1-42.6179-168.2-174.416500112.4T233 F237 Y238 R239T233-E235 PolarHBondContact O-N 3.47Å; E235-F237 VanDerWaalsContact C-N 3.35Å; E235-Y238 PolarHBondContact O-N 3.02Å; E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 3.32Å; E235-R239 VanDerWaalsContact O-N 3.07Å; E235-R239 IonicContact OE1-CZ 3.53Å; E235-R239 IonicContact OE1-NE 2.82Å; E235-R239 IonicContact OE1-NH2 2.7Å; E235-R239 PolarHBondContact OE1-NH2 2.78Å
236A96.8Very high94.4Very high42 Ų4271.6 Ų71.635%0.34736%0.358SS..Hα-helixtrans-64-42.8176.100000111.1Q232 T233 R239 Q240Q232-A236 HydrophobicContact CB-CB 4.29Å; T233-A236 PolarHBondContact O-N 2.76Å; T233-A236 VanDerWaalsContact O-N 3.12Å; T233-A236 WeakPolarHBondContact OG1-CB 3.25Å; T233-A236 PolarHBondContact OG1-N 3.04Å; A236-R239 PolarHBondContact O-N 2.88Å; A236-Q240 PolarHBondContact O-N 2.83Å
237F97.3Very high93.7Very high0 Ų072.6 Ų72.60%037%0.366CS..Hα-helixtrans-65.9-40.9177.9-168-130.2000112.2C212 I215 V227 R229 T233 R234 E235 R239 Q240 I241C212-F237 VanDerWaalsContact O-CE1 3.32Å; C212-F237 WeakPolarHBondContact O-CE1 3.4Å; I215-F237 HydrophobicContact CG1-CE1 4Å; I215-F237 HydrophobicContact CG1-CZ 3.79Å; V227-F237 HydrophobicContact CB-CE2 4.37Å; V227-F237 HydrophobicContact CG2-CE2 3.97Å; V227-F237 HydrophobicContact CG2-CZ 4.14Å; R229-F237 HydrophobicContact CB-CD1 3.8Å; R229-F237 HydrophobicContact CB-CD2 4.06Å; R229-F237 HydrophobicContact CB-CE1 3.9Å; R229-F237 HydrophobicContact CB-CE2 4.15Å; R229-F237 HydrophobicContact CB-CG 3.88Å; R229-F237 HydrophobicContact CB-CZ 4.07Å; R229-F237 HydrophobicContact CG-CB 3.91Å; R229-F237 HydrophobicContact CG-CD1 3.87Å; R229-F237 HydrophobicContact CG-CD2 4.33Å; R229-F237 HydrophobicContact CG-CE1 4.47Å; R229-F237 HydrophobicContact CG-CG 3.79Å; T233-F237 PolarHBondContact O-N 3Å; R234-F237 PolarHBondContact O-N 3.02Å; E235-F237 VanDerWaalsContact C-N 3.35Å; F237-R239 VanDerWaalsContact C-N 3.35Å; F237-R239 PolarHBondContact O-N 3.42Å; F237-Q240 WeakPolarHBondContact O-CB 3.46Å; F237-Q240 PolarHBondContact O-N 3.33Å; F237-Q240 VanDerWaalsContact O-N 3.17Å; F237-I241 HydrophobicContact CD1-CD1 3.86Å; F237-I241 HydrophobicContact CE1-CD1 3.79Å; F237-I241 HydrophobicContact CG-CD1 4.31Å; F237-I241 HydrophobicContact CZ-CD1 4.2Å; F237-I241 HydrophobicContact CZ-CG1 4.49Å; F237-I241 WeakPolarHBondContact O-CG1 3.34Å; F237-I241 PolarHBondContact O-N 2.95Å
238Y97Very high92.2Very high80 Ų8074.6 Ų74.631%0.31438%0.376SS..Hα-helixtrans-55.9-46.8172.2174.4-103.2000112.1P206 F207 R234 E235 Q240 I241 L242P206-Y238 HydrophobicContact CB-CD2 4.07Å; P206-Y238 HydrophobicContact CB-CE2 3.69Å; P206-Y238 WeakPolarHBondContact O-CD2 3.4Å; F207-Y238 HydrophobicContact CB-CE2 4.11Å; R234-Y238 VanDerWaalsContact O-CB 3.29Å; R234-Y238 WeakPolarHBondContact O-CB 3.39Å; R234-Y238 PolarHBondContact O-N 3.29Å; E235-Y238 PolarHBondContact O-N 3.02Å; Y238-Q240 VanDerWaalsContact C-N 3.34Å; Y238-Q240 PolarHBondContact O-N 3.18Å; Y238-I241 PolarHBondContact O-N 2.88Å; Y238-L242 HydrophobicContact CD1-CD1 3.98Å; Y238-L242 HydrophobicContact CE1-CD1 3.36Å; Y238-L242 HydrophobicContact CE1-CG 4.17Å; Y238-L242 HydrophobicContact CE2-CD1 4.44Å; Y238-L242 HydrophobicContact CE2-CG 4.46Å; Y238-L242 PolarHBondContact O-N 3.2Å
239R96Very high90.4Very high159 Ų15978.4 Ų78.460%0.640%0.395SS*.Hα-helixtrans-63.8-38.1176.6-68.3179.2-169.2-159.74.7112.3E235 A236 F237 L242 S243E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 3.32Å; E235-R239 VanDerWaalsContact O-N 3.07Å; E235-R239 IonicContact OE1-CZ 3.53Å; E235-R239 IonicContact OE1-NE 2.82Å; E235-R239 IonicContact OE1-NH2 2.7Å; E235-R239 PolarHBondContact OE1-NH2 2.78Å; A236-R239 PolarHBondContact O-N 2.88Å; F237-R239 VanDerWaalsContact C-N 3.35Å; F237-R239 PolarHBondContact O-N 3.42Å; R239-L242 PolarHBondContact O-N 3.26Å; R239-S243 PolarHBondContact O-N 3.28Å
240Q95.7Very high87.9Confident64 Ų6486.7 Ų86.730%0.29944%0.436SS..Hα-helixtrans-62.9-44.7174.9-177.5176.8-0.500111.5Q232 A236 F237 Y238 L242 S243 I244Q232-Q240 VanDerWaalsContact OE1-OE1 3.1Å; A236-Q240 PolarHBondContact O-N 2.83Å; F237-Q240 WeakPolarHBondContact O-CB 3.46Å; F237-Q240 PolarHBondContact O-N 3.33Å; F237-Q240 VanDerWaalsContact O-N 3.17Å; Y238-Q240 VanDerWaalsContact C-N 3.34Å; Y238-Q240 PolarHBondContact O-N 3.18Å; Q240-L242 PolarHBondContact O-N 3.25Å; Q240-S243 WeakPolarHBondContact O-CB 3.45Å; Q240-S243 PolarHBondContact O-N 3.33Å; Q240-I244 HydrophobicContact CG-CD1 4.19Å; Q240-I244 WeakPolarHBondContact O-CG1 3.39Å; Q240-I244 PolarHBondContact O-N 3.45Å; Q240-I244 VanDerWaalsContact O-N 3.09Å
241I95.3Very high87.7Confident0 Ų083.4 Ų83.40%042%0.421CS..Hα-helixtrans-60-46.1176.5-66.2162.8000110.5M41 P206 A209 I215 F217 F237 Y238 S243 I244 L245M41-I241 HydrophobicContact CE-CG2 4.04Å; M41-I241 HydrophobicContact SD-CG2 3.65Å; P206-I241 HydrophobicContact CB-CG2 3.91Å; A209-I241 HydrophobicContact CB-CD1 3.93Å; I215-I241 HydrophobicContact CG1-CD1 4.19Å; F217-I241 HydrophobicContact CZ-CG2 4.31Å; F237-I241 HydrophobicContact CD1-CD1 3.86Å; F237-I241 HydrophobicContact CE1-CD1 3.79Å; F237-I241 HydrophobicContact CG-CD1 4.31Å; F237-I241 HydrophobicContact CZ-CD1 4.2Å; F237-I241 HydrophobicContact CZ-CG1 4.49Å; F237-I241 WeakPolarHBondContact O-CG1 3.34Å; F237-I241 PolarHBondContact O-N 2.95Å; Y238-I241 PolarHBondContact O-N 2.88Å; I241-S243 VanDerWaalsContact C-N 3.3Å; I241-S243 PolarHBondContact O-N 3.12Å; I241-I244 PolarHBondContact O-N 3.22Å; I241-L245 HydrophobicContact CG2-CD1 3.91Å; I241-L245 HydrophobicContact CG2-CG 4.46Å; I241-L245 WeakPolarHBondContact O-CG 3.31Å; I241-L245 PolarHBondContact O-N 3.02Å
242L94.2Very high87.5Confident74 Ų7478.9 Ų78.939%0.38740%0.396SS..Hα-helixtrans-58.2-41.8175.8-74.8177.4000112.4P206 Y238 R239 Q240 I244 L245 G246P206-L242 HydrophobicContact CB-CD2 3.9Å; P206-L242 HydrophobicContact CB-CG 4.34Å; P206-L242 HydrophobicContact CG-CD2 3.74Å; Y238-L242 HydrophobicContact CD1-CD1 3.98Å; Y238-L242 HydrophobicContact CE1-CD1 3.36Å; Y238-L242 HydrophobicContact CE1-CG 4.17Å; Y238-L242 HydrophobicContact CE2-CD1 4.44Å; Y238-L242 HydrophobicContact CE2-CG 4.46Å; Y238-L242 PolarHBondContact O-N 3.2Å; R239-L242 PolarHBondContact O-N 3.26Å; Q240-L242 PolarHBondContact O-N 3.25Å; L242-I244 VanDerWaalsContact C-N 3.31Å; L242-I244 PolarHBondContact O-N 2.62Å; L242-L245 PolarHBondContact O-N 3.17Å; L242-G246 PolarHBondContact O-N 3.1Å
243S93.3Very high87.1Confident72 Ų7278.9 Ų78.950%0.50340%0.398SS..Hα-helixtrans-63.7-36.8177.8-175.60000112.6R239 Q240 I241 N247R239-S243 PolarHBondContact O-N 3.28Å; Q240-S243 WeakPolarHBondContact O-CB 3.45Å; Q240-S243 PolarHBondContact O-N 3.33Å; I241-S243 VanDerWaalsContact C-N 3.3Å; I241-S243 PolarHBondContact O-N 3.12Å; S243-N247 VanDerWaalsContact O-CG 3.27Å; S243-N247 PolarHBondContact O-N 2.92Å; S243-N247 PolarHBondContact O-ND2 3.17Å
244I91.7Very high86.6Confident14 Ų1478.2 Ų78.27%0.07239%0.388CS..Hα-helixtrans-70.1-44.8178.6-66.9164.9000110.1F217 V227 Q240 I241 L242 G246 N247 L248F217-I244 HydrophobicContact CD1-CG2 4.3Å; F217-I244 HydrophobicContact CD2-CG2 4.23Å; F217-I244 HydrophobicContact CE1-CG2 3.99Å; F217-I244 HydrophobicContact CE2-CB 4.43Å; F217-I244 HydrophobicContact CE2-CD1 3.78Å; F217-I244 HydrophobicContact CE2-CG2 3.87Å; F217-I244 HydrophobicContact CG-CG2 4.42Å; F217-I244 HydrophobicContact CZ-CB 4.09Å; F217-I244 HydrophobicContact CZ-CD1 4.04Å; F217-I244 HydrophobicContact CZ-CG2 3.76Å; V227-I244 HydrophobicContact CG1-CD1 3.6Å; V227-I244 HydrophobicContact CG2-CD1 4.33Å; Q240-I244 HydrophobicContact CG-CD1 4.19Å; Q240-I244 WeakPolarHBondContact O-CG1 3.39Å; Q240-I244 PolarHBondContact O-N 3.45Å; Q240-I244 VanDerWaalsContact O-N 3.09Å; I241-I244 PolarHBondContact O-N 3.22Å; L242-I244 VanDerWaalsContact C-N 3.31Å; L242-I244 PolarHBondContact O-N 2.62Å; I244-G246 VanDerWaalsContact C-N 3.35Å; I244-G246 PolarHBondContact O-N 3.04Å; I244-N247 PolarHBondContact O-N 3.19Å; I244-L248 PolarHBondContact O-N 2.86Å
245L88.7Confident86Confident38 Ų3877.9 Ų77.920%0.19939%0.393CS..Hα-helixtrans-64.6-38.3177.4-67.4170.1000112.3M41 P206 F217 I241 L242 N247 L248M41-L245 HydrophobicContact CE-CD1 3.87Å; P206-L245 HydrophobicContact CB-CD1 4.33Å; P206-L245 HydrophobicContact CG-CD1 3.55Å; F217-L245 HydrophobicContact CD1-CD2 4.44Å; F217-L245 HydrophobicContact CE1-CD2 4.04Å; F217-L245 HydrophobicContact CE1-CG 4.31Å; I241-L245 HydrophobicContact CG2-CD1 3.91Å; I241-L245 HydrophobicContact CG2-CG 4.46Å; I241-L245 WeakPolarHBondContact O-CG 3.31Å; I241-L245 PolarHBondContact O-N 3.02Å; L242-L245 PolarHBondContact O-N 3.17Å; L245-N247 PolarHBondContact O-N 3.08Å; L245-L248 HydrophobicContact CD2-CD1 3.94Å; L245-L248 WeakPolarHBondContact O-CB 2.82Å; L245-L248 PolarHBondContact O-N 3.28Å
246G85.4Confident85.4Confident32 Ų3275.3 Ų75.333%0.3338%0.383SS..Hα-helixtrans-65.4-19.3175.700000114.4L242 I244 Q250L242-G246 PolarHBondContact O-N 3.1Å; I244-G246 VanDerWaalsContact C-N 3.35Å; I244-G246 PolarHBondContact O-N 3.04Å; G246-Q250 PolarHBondContact O-NE2 3.05Å
247N79.8Confident84.6Confident106 Ų10677.7 Ų77.757%0.56739%0.386SS*.Hα-helixtrans-87.9-15.9173.9-67-17.9000112.9S243 I244 L245S243-N247 VanDerWaalsContact O-CG 3.27Å; S243-N247 PolarHBondContact O-N 2.92Å; S243-N247 PolarHBondContact O-ND2 3.17Å; I244-N247 PolarHBondContact O-N 3.19Å; L245-N247 PolarHBondContact O-N 3.08Å
248L65.9Low83.6Confident53 Ų5383.7 Ų83.728%0.27742%0.415SS..Hα-helixtrans-82.1-25.7176.8-83.4161.2000113.1Y224 I244 L245 Q250Y224-L248 HydrophobicContact CE1-CD1 4.35Å; Y224-L248 HydrophobicContact CE1-CD2 4.01Å; Y224-L248 HydrophobicContact CE2-CD2 4.42Å; Y224-L248 WeakPolarHBondContact OH-CD1 3.43Å; Y224-L248 WeakPolarHBondContact OH-CG 3.25Å; I244-L248 PolarHBondContact O-N 2.86Å; L245-L248 HydrophobicContact CD2-CD1 3.94Å; L245-L248 WeakPolarHBondContact O-CB 2.82Å; L245-L248 PolarHBondContact O-N 3.28Å; L248-Q250 VanDerWaalsContact C-N 3.3Å
249E58.6Low82.5Confident184 Ų18484 Ų8486%0.8642%0.424SS*.  trans-886.2-178.8-64.2-169.1157.300113.6
250Q44.8Very low81.2Confident212 Ų21277.2 Ų77.299%0.99141%0.408SS*.  trans-108.50178.5-69.2179.649.200111.5G246 L248G246-Q250 PolarHBondContact O-NE2 3.05Å; L248-Q250 VanDerWaalsContact C-N 3.3Å

Retrieved 250 of 250 residues in 49 ms (Link to these results)

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