G4M1D8_SCHMA Loading...

Glutathione transferase

AlphaFold DB , UniProt , Accession G4M1D8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 241 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
1M89.7Confident95.8Very high181 Ų18197.2 Ų97.289%0.89249%0.486SS*.  0132.80-174.4179-68.700108.4D239M1-D239 WeakPolarHBondContact CA-OD1 3.35Å
2H95.8Very high95.8Very high2 Ų292.1 Ų92.11%0.00946%0.461CS..  trans-89.2113.8176.8-67.972.5000110.7K4 F22 R23 D46 P238 D239H2-K4 WeakPolarHBondContact O-CG 3.11Å; H2-F22 AromaticContact CD2-CD2 3.41Å; H2-F22 VanDerWaalsContact CD2-CD2 3.41Å; H2-F22 WeakPolarHBondContact CD2-CD2 3.43Å; H2-F22 AromaticContact CD2-CE2 3.63Å; H2-F22 AromaticContact NE2-CD2 3.62Å; H2-F22 AromaticContact NE2-CE2 3.75Å; H2-R23 WeakPolarHBondContact NE2-CB 3.35Å; H2-R23 PolarHBondContact NE2-N 3.26Å; H2-D46 WeakPolarHBondContact CA-O 3.42Å; H2-D46 IonicContact NE2-OD1 3.23Å; H2-P238 HydrophobicContact CB-CG 4.02Å; H2-P238 PolarHBondContact CE1-O 2.91Å; H2-P238 PolarHBondContact ND1-O 3.3Å; H2-D239 IonicContact CE1-OD1 3.69Å; H2-D239 IonicContact CG-OD1 3.41Å; H2-D239 PolarHBondContact N-OD1 3.06Å; H2-D239 VanDerWaalsContact N-OD1 3.14Å; H2-D239 IonicContact ND1-OD1 2.72Å; H2-D239 PolarHBondContact ND1-OD1 2.61Å
3L97.5Very high95.8Very high35 Ų3589.2 Ų89.218%0.18345%0.448CS..BIsolated β-bridgetrans-64.9135.4-179.8-59.6178.1000111.1D7 P10 I45 D46 I47 S48 P53 W55L3-D7 WeakPolarHBondContact CA-OD2 3.21Å; L3-D7 HydrophobicContact CB-CB 4.27Å; L3-D7 HydrophobicContact CD2-CB 4.19Å; L3-P10 HydrophobicContact CD1-CB 4.39Å; L3-P10 HydrophobicContact CD1-CG 3.79Å; L3-I45 HydrophobicContact CD1-CG2 3.82Å; L3-D46 PolarHBondContact N-O 2.94Å; L3-I47 HydrophobicContact CB-CG2 4.45Å; L3-I47 CarbonylContact O-C 3.09Å; L3-I47 WeakPolarHBondContact O-CA 3.43Å; L3-S48 PolarHBondContact O-N 2.92Å; L3-P53 HydrophobicContact CB-CG 4.02Å; L3-P53 WeakPolarHBondContact O-CG 3.5Å; L3-W55 HydrophobicContact CB-CZ2 4.32Å; L3-W55 HydrophobicContact CD1-CH2 4.44Å; L3-W55 HydrophobicContact CD1-CZ2 3.7Å
4K96.3Very high95.6Very high94 Ų9489.1 Ų89.141%0.40946%0.456SS..  trans-115.2179.3-172.9-60.3174.5-170.71710111.5H2 N6 D7 S51H2-K4 WeakPolarHBondContact O-CG 3.11Å; K4-N6 PolarHBondContact O-N 3.41Å; K4-D7 PolarHBondContact N-OD2 2.72Å; K4-D7 WeakPolarHBondContact O-CB 3.3Å; K4-D7 PolarHBondContact O-N 2.93Å; K4-D7 VanDerWaalsContact O-N 3.09Å; K4-S51 CarbonylContact C-O 3.44Å; K4-S51 WeakPolarHBondContact CA-O 3.39Å
5R96.2Very high95.6Very high147 Ų14791.6 Ų91.656%0.55547%0.471SS*.THydrogen-bonded Turntrans-49.5138.1166.6-172.9179-66175.1-2.3110.3D7 S51 E54R5-D7 PolarHBondContact O-N 3.09Å; R5-S51 VanDerWaalsContact CB-OG 3.24Å; R5-S51 WeakPolarHBondContact CB-OG 3.43Å; R5-S51 PolarHBondContact N-O 2.87Å; R5-S51 PolarHBondContact N-OG 3.12Å; R5-E54 HydrophobicContact CG-CG 4.4Å; R5-E54 WeakPolarHBondContact CG-OE1 3.45Å
6N95.8Very high95.6Very high125 Ų12591.5 Ų91.567%0.66846%0.463SS*.THydrogen-bonded Turntrans68.8-8-175.1-48.9-40.1000116.7K4 E54K4-N6 PolarHBondContact O-N 3.41Å; N6-E54 PolarHBondContact OD1-OE1 3.11Å
7D97.6Very high95.8Very high54 Ų5486.7 Ų86.729%0.28944%0.439SS..PPolyproline II helixtrans-68.1137.4172.1-72.3-22.2000109.6L3 K4 R5 W55L3-D7 WeakPolarHBondContact CA-OD2 3.21Å; L3-D7 HydrophobicContact CB-CB 4.27Å; L3-D7 HydrophobicContact CD2-CB 4.19Å; K4-D7 PolarHBondContact N-OD2 2.72Å; K4-D7 WeakPolarHBondContact O-CB 3.3Å; K4-D7 PolarHBondContact O-N 2.93Å; K4-D7 VanDerWaalsContact O-N 3.09Å; R5-D7 PolarHBondContact O-N 3.09Å; D7-W55 PolarHBondContact O-NE1 3.02Å; D7-W55 VanDerWaalsContact O-NE1 3.08Å
8P97.1Very high95.9Very high104 Ų10481.9 Ų81.968%0.67542%0.415SS*.PPolyproline II helixtrans-63.8149.1-177.327.2-34.8000111P10P8-P10 WeakPolarHBondContact O-CD 3.13Å
9K96.9Very high96.1Very high116 Ų11677.6 Ų77.650%0.50439%0.393SS..PPolyproline II helixtrans-60.2123.3172.2-174.3-177.8172.8-175.90108.8W55K9-W55 HydrophobicContact CB-CB 3.89Å; K9-W55 HydrophobicContact CB-CD2 3.92Å; K9-W55 HydrophobicContact CB-CE3 4.5Å; K9-W55 HydrophobicContact CB-CG 3.6Å; K9-W55 HydrophobicContact CD-CB 4.38Å; K9-W55 HydrophobicContact CG-CB 4.25Å; K9-W55 HydrophobicContact CG-CD2 3.86Å; K9-W55 HydrophobicContact CG-CE3 3.93Å; K9-W55 HydrophobicContact CG-CG 4Å
10P96.2Very high96.2Very high42 Ų4273.8 Ų73.827%0.27337%0.373SS..PPolyproline II helixtrans-67.5161.3175.531.1-36.2000110.1L3 P8 I12 I45 W55L3-P10 HydrophobicContact CD1-CB 4.39Å; L3-P10 HydrophobicContact CD1-CG 3.79Å; P8-P10 WeakPolarHBondContact O-CD 3.13Å; P10-I12 PolarHBondContact O-N 2.79Å; P10-I45 HydrophobicContact CG-CD1 3.64Å; P10-I45 HydrophobicContact CG-CG1 4.11Å; P10-I45 HydrophobicContact CG-CG2 4Å; P10-W55 HydrophobicContact CG-CZ2 4.49Å
11L95.3Very high96.3Very high169 Ų16970.2 Ų70.289%0.88536%0.355SS*.PPolyproline II helixtrans-63.2131170.2-173.767.9000109
12I95.7Very high96.7Very high36 Ų3662.3 Ų62.319%0.18532%0.316CS..  trans-112.2115.7174.2-61.5176.1000106P10 P14 T18 I45 M59 L69P10-I12 PolarHBondContact O-N 2.79Å; I12-P14 WeakPolarHBondContact O-CD 3.49Å; I12-T18 HydrophobicContact CG2-CG2 4.44Å; I12-I45 HydrophobicContact CD1-CD1 4.46Å; I12-I45 HydrophobicContact CG1-CD1 4.04Å; I12-M59 HydrophobicContact CD1-CE 3.79Å; I12-L69 HydrophobicContact CD1-CD1 3.76Å; I12-L69 HydrophobicContact CG2-CD1 3.96Å
13D95.1Very high96.7Very high55 Ų5564.9 Ų64.929%0.29433%0.326SS..  trans-70.7116.2175.8-176.2-9.7000109.2N15 R16D13-N15 PolarHBondContact O-N 3.43Å; D13-N15 VanDerWaalsContact O-N 3.12Å; D13-N15 WeakPolarHBondContact OD1-CB 3.35Å; D13-N15 PolarHBondContact OD1-N 3.37Å; D13-N15 PolarHBondContact OD1-ND2 3.29Å; D13-R16 HydrophobicContact CB-CB 4.25Å; D13-R16 HydrophobicContact CB-CG 4.33Å; D13-R16 PolarHBondContact O-N 2.88Å; D13-R16 WeakPolarHBondContact OD2-CD 3.42Å; D13-R16 WeakPolarHBondContact OD2-CG 3.34Å
14P93.3Very high96.6Very high87 Ų8763.7 Ų63.757%0.56532%0.319SS*.THydrogen-bonded Turntrans-68.4-7.6-179.731.2-37.1000113.2I12 P71I12-P14 WeakPolarHBondContact O-CD 3.49Å; P14-P71 CarbonylContact O-C 3.51Å; P14-P71 WeakPolarHBondContact O-CA 3.47Å; P14-P71 WeakPolarHBondContact O-CB 3.5Å; P14-P71 VanDerWaalsContact O-O 3.07Å
15N95.1Very high96.7Very high127 Ų12759.9 Ų59.968%0.67930%0.304SS*.THydrogen-bonded Turntrans-99.5-3.4179.7-52.6-71.2000113.4D13D13-N15 PolarHBondContact O-N 3.43Å; D13-N15 VanDerWaalsContact O-N 3.12Å; D13-N15 WeakPolarHBondContact OD1-CB 3.35Å; D13-N15 PolarHBondContact OD1-N 3.37Å; D13-N15 PolarHBondContact OD1-ND2 3.29Å
16R96.4Very high96.7Very high90 Ų9053.9 Ų53.934%0.3428%0.284SS..SBendtrans-120.5152.4-176.2-67.6171.664.593.9-0.4110.8D13 T18 D43D13-R16 HydrophobicContact CB-CB 4.25Å; D13-R16 HydrophobicContact CB-CG 4.33Å; D13-R16 PolarHBondContact O-N 2.88Å; D13-R16 WeakPolarHBondContact OD2-CD 3.42Å; D13-R16 WeakPolarHBondContact OD2-CG 3.34Å; R16-T18 PolarHBondContact O-N 3.46Å; R16-D43 IonicContact CZ-OD1 2.75Å; R16-D43 IonicContact NE-OD1 2.88Å; R16-D43 PolarHBondContact NE-OD1 3.08Å; R16-D43 IonicContact NE-OD2 3.43Å; R16-D43 PolarHBondContact NE-OD2 2.92Å; R16-D43 IonicContact NH2-OD1 3.33Å; R16-D43 PolarHBondContact NH2-OD1 3.2Å
17L98.3Very high96.8Very high10 Ų1052.1 Ų52.15%0.05227%0.268CS..EExtended strand (participates in β ladder)trans-63.9133.6165.8-68.2175.3000108.7L35 V40 Y42 D43 L68 L69 L70 I86L17-L35 HydrophobicContact CD1-CD2 3.85Å; L17-V40 HydrophobicContact CD1-CG1 3.52Å; L17-Y42 CarbonylContact O-C 3.53Å; L17-Y42 VanDerWaalsContact O-CA 3.23Å; L17-Y42 WeakPolarHBondContact O-CA 3.37Å; L17-Y42 WeakPolarHBondContact O-CB 3.22Å; L17-D43 PolarHBondContact O-N 3.04Å; L17-L68 HydrophobicContact CB-CD1 4.27Å; L17-L68 HydrophobicContact CD2-CD1 4.44Å; L17-L68 HydrophobicContact CD2-CD2 4.29Å; L17-L68 HydrophobicContact CD2-CG 4.44Å; L17-L69 WeakPolarHBondContact CA-O 3.35Å; L17-L70 HydrophobicContact CD2-CD2 3.39Å; L17-I86 HydrophobicContact CD1-CD1 4.1Å
18T98.6Very high96.9Very high1 Ų149.6 Ų49.61%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-122118.3172.9-60.50000109.9I12 R16 I20 D43 I45 L69I12-T18 HydrophobicContact CG2-CG2 4.44Å; R16-T18 PolarHBondContact O-N 3.46Å; T18-I20 HydrophobicContact CG2-CG1 4.41Å; T18-D43 CarbonylContact C-O 3.52Å; T18-D43 WeakPolarHBondContact CA-O 3.07Å; T18-D43 HydrophobicContact CG2-CB 4.44Å; T18-I45 HydrophobicContact CG2-CD1 3.49Å; T18-I45 VanDerWaalsContact CG2-CD1 3.49Å; T18-I45 HydrophobicContact CG2-CG1 4.03Å; T18-L69 HydrophobicContact CG2-CD1 4.28Å; T18-L69 PolarHBondContact N-O 3.45Å; T18-L69 PolarHBondContact O-N 3.07Å
19L98.7Very high96.9Very high0 Ų045 Ų450%023%0.225CC..EExtended strand (participates in β ladder)trans-93.4112.1174.2178.756.2000109.4V28 V31 K32 Y42 D43 L44 I45 P66 L68L19-V28 HydrophobicContact CD2-CG1 4.04Å; L19-V28 HydrophobicContact CG-CG1 4.4Å; L19-V31 HydrophobicContact CD1-CB 4.16Å; L19-V31 HydrophobicContact CD1-CG1 3.86Å; L19-V31 HydrophobicContact CD2-CB 4.07Å; L19-V31 HydrophobicContact CD2-CG1 3.93Å; L19-V31 HydrophobicContact CG-CG1 4.48Å; L19-K32 HydrophobicContact CD2-CG 3.73Å; L19-Y42 HydrophobicContact CB-CD2 3.8Å; L19-Y42 HydrophobicContact CB-CE2 4.04Å; L19-Y42 HydrophobicContact CD2-CE2 3.99Å; L19-D43 PolarHBondContact N-O 2.9Å; L19-L44 HydrophobicContact CB-CD1 4.29Å; L19-L44 HydrophobicContact CD2-CD1 4.18Å; L19-L44 HydrophobicContact CG-CD1 4.09Å; L19-I45 PolarHBondContact O-N 3.1Å; L19-P66 HydrophobicContact CD1-CB 3.75Å; L19-L68 HydrophobicContact CB-CD1 4.37Å
20I98.6Very high97Very high0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-90.3123.8168.1-57.1172.8000108.2T18 I45 I47 W55 F56 M59 L67 L69T18-I20 HydrophobicContact CG2-CG1 4.41Å; I20-I45 WeakPolarHBondContact CA-O 3.37Å; I20-I45 HydrophobicContact CG1-CB 4.26Å; I20-I45 HydrophobicContact CG1-CD1 4.36Å; I20-I47 HydrophobicContact CG2-CD1 4.19Å; I20-I47 HydrophobicContact CG2-CG1 4.31Å; I20-I47 HydrophobicContact CG2-CG2 3.97Å; I20-W55 HydrophobicContact CD1-CZ3 4.27Å; I20-F56 HydrophobicContact CB-CE2 4.32Å; I20-F56 HydrophobicContact CD1-CD2 4.15Å; I20-F56 HydrophobicContact CD1-CE2 4.31Å; I20-F56 HydrophobicContact CG2-CD2 3.84Å; I20-F56 HydrophobicContact CG2-CE2 3.64Å; I20-F56 HydrophobicContact CG2-CZ 4.36Å; I20-M59 HydrophobicContact CD1-SD 4.27Å; I20-L67 HydrophobicContact CB-CB 4.39Å; I20-L67 HydrophobicContact CD1-CD2 4.44Å; I20-L67 PolarHBondContact N-O 3.42Å; I20-L67 PolarHBondContact O-N 3.02Å; I20-L69 HydrophobicContact CD1-CD1 3.95Å; I20-L69 HydrophobicContact CD1-CG 4.31Å
21G98.3Very high97.1Very high0 Ų037.9 Ų37.90%019%0.189CC..EExtended strand (participates in β ladder)trans-149.2-170.4-165.900000114.8I45 I47G21-I45 PolarHBondContact N-O 3.37Å; G21-I47 WeakPolarHBondContact O-CG1 3.47Å; G21-I47 PolarHBondContact O-N 3.3Å
22F97.8Very high97.3Very high15 Ų1530.7 Ų30.77%0.06615%0.151CC..  trans-142.5126.3171.1175.1-114.8000107H2 F24 C25 D46 I47 L49 V65 Y227 P238H2-F22 AromaticContact CD2-CD2 3.41Å; H2-F22 VanDerWaalsContact CD2-CD2 3.41Å; H2-F22 WeakPolarHBondContact CD2-CD2 3.43Å; H2-F22 AromaticContact CD2-CE2 3.63Å; H2-F22 AromaticContact NE2-CD2 3.62Å; H2-F22 AromaticContact NE2-CE2 3.75Å; F22-F24 HydrophobicContact CD1-CB 4.22Å; F22-F24 HydrophobicContact CE1-CB 3.68Å; F22-F24 HydrophobicContact CE1-CD2 4.33Å; F22-F24 HydrophobicContact CZ-CB 4.28Å; F22-F24 HydrophobicContact CZ-CD2 4.08Å; F22-F24 PolarHBondContact O-N 3.02Å; F22-C25 HydrophobicContact CB-CB 3.98Å; F22-C25 HydrophobicContact CD1-CB 4.03Å; F22-C25 HydrophobicContact CG-CB 4.49Å; F22-C25 VanDerWaalsContact O-CB 3.26Å; F22-C25 WeakPolarHBondContact O-CB 3.19Å; F22-C25 PolarHBondContact O-N 3.29Å; F22-D46 WeakPolarHBondContact CA-OD1 3.47Å; F22-D46 PolarHBondContact N-OD1 3.14Å; F22-I47 VanDerWaalsContact CD2-O 3.31Å; F22-I47 WeakPolarHBondContact CD2-O 3.17Å; F22-L49 HydrophobicContact CB-CD1 3.81Å; F22-L49 HydrophobicContact CB-CD2 4.21Å; F22-L49 HydrophobicContact CB-CG 3.85Å; F22-L49 HydrophobicContact CD1-CD1 3.58Å; F22-L49 HydrophobicContact CD1-CG 4.12Å; F22-L49 HydrophobicContact CD2-CD1 4.4Å; F22-L49 HydrophobicContact CD2-CG 4.04Å; F22-L49 HydrophobicContact CE1-CD1 4.26Å; F22-L49 HydrophobicContact CG-CD1 3.67Å; F22-L49 HydrophobicContact CG-CG 3.74Å; F22-V65 HydrophobicContact CB-CG2 4.19Å; F22-Y227 HydrophobicContact CZ-CE2 4.05Å; F22-Y227 AromaticContact CZ-CZ 3.75Å; F22-Y227 VanDerWaalsContact CZ-OH 3.29Å; F22-Y227 WeakPolarHBondContact CZ-OH 3.48Å; F22-P238 HydrophobicContact CE2-CB 3.6Å; F22-P238 HydrophobicContact CE2-CG 4.24Å; F22-P238 HydrophobicContact CZ-CB 3.93Å
23R96.5Very high97.4Very high56 Ų5629 Ų2921%0.21114%0.142CC..THydrogen-bonded Turntrans-51.6-33.1-170.4-178176.5-179.1-165.10.1114.8H2 D46 V219 P238 I240H2-R23 WeakPolarHBondContact NE2-CB 3.35Å; H2-R23 PolarHBondContact NE2-N 3.26Å; R23-D46 PolarHBondContact N-OD1 2.87Å; R23-V219 HydrophobicContact CG-CG2 3.87Å; R23-P238 PolarHBondContact NH1-O 2.65Å; R23-I240 VanDerWaalsContact CZ-O 3.28Å; R23-I240 PolarHBondContact NH1-O 2.68Å; R23-I240 PolarHBondContact NH2-O 3.31Å; R23-I240 VanDerWaalsContact NH2-O 3.08Å
24F95.9Very high97.6Very high10 Ų1026.4 Ų26.44%0.04413%0.128CC..THydrogen-bonded Turntrans-101.69.2-178.6-59.9-82.4000113.9F22 P26 R169 V219 I223 H224 Y227 P238F22-F24 HydrophobicContact CD1-CB 4.22Å; F22-F24 HydrophobicContact CE1-CB 3.68Å; F22-F24 HydrophobicContact CE1-CD2 4.33Å; F22-F24 HydrophobicContact CZ-CB 4.28Å; F22-F24 HydrophobicContact CZ-CD2 4.08Å; F22-F24 PolarHBondContact O-N 3.02Å; F24-P26 WeakPolarHBondContact O-CD 3.35Å; F24-R169 VanDerWaalsContact C-NH2 3.35Å; F24-R169 PolarHBondContact O-NH2 2.82Å; F24-V219 HydrophobicContact CE1-CG1 3.95Å; F24-I223 HydrophobicContact CE1-CG2 3.94Å; F24-I223 HydrophobicContact CZ-CG2 3.9Å; F24-H224 AromaticContact CD1-CE1 3.77Å; F24-H224 AromaticContact CD1-ND1 3.52Å; F24-Y227 HydrophobicContact CB-CD1 3.83Å; F24-Y227 HydrophobicContact CB-CE1 3.72Å; F24-Y227 HydrophobicContact CB-CG 4.46Å; F24-Y227 AromaticContact CD1-CD1 3.69Å; F24-Y227 HydrophobicContact CD1-CD1 3.69Å; F24-Y227 HydrophobicContact CD1-CE1 4.43Å; F24-Y227 AromaticContact CD1-CG 3.75Å; F24-Y227 HydrophobicContact CD1-CG 3.75Å; F24-Y227 AromaticContact CD2-CD1 3.89Å; F24-Y227 HydrophobicContact CD2-CD1 3.89Å; F24-Y227 AromaticContact CD2-CD2 3.6Å; F24-Y227 HydrophobicContact CD2-CD2 3.6Å; F24-Y227 HydrophobicContact CD2-CE1 4.1Å; F24-Y227 AromaticContact CD2-CE2 3.82Å; F24-Y227 HydrophobicContact CD2-CE2 3.82Å; F24-Y227 AromaticContact CD2-CG 3.64Å; F24-Y227 HydrophobicContact CD2-CG 3.64Å; F24-Y227 VanDerWaalsContact CE1-CB 3.47Å; F24-Y227 HydrophobicContact CE1-CD1 4.2Å; F24-Y227 AromaticContact CE1-CG 3.8Å; F24-Y227 HydrophobicContact CE1-CG 3.8Å; F24-Y227 HydrophobicContact CE2-CD1 4.39Å; F24-Y227 AromaticContact CE2-CD2 3.58Å; F24-Y227 HydrophobicContact CE2-CD2 3.58Å; F24-Y227 HydrophobicContact CE2-CE2 4.19Å; F24-Y227 AromaticContact CE2-CG 3.7Å; F24-Y227 HydrophobicContact CE2-CG 3.7Å; F24-Y227 AromaticContact CG-CD1 3.51Å; F24-Y227 HydrophobicContact CG-CD1 3.51Å; F24-Y227 HydrophobicContact CG-CD2 4.11Å; F24-Y227 AromaticContact CG-CE1 3.82Å; F24-Y227 HydrophobicContact CG-CE1 3.82Å; F24-Y227 HydrophobicContact CG-CE2 4.38Å; F24-Y227 AromaticContact CG-CG 3.67Å; F24-Y227 HydrophobicContact CG-CG 3.67Å; F24-Y227 HydrophobicContact CZ-CD2 4.06Å; F24-Y227 AromaticContact CZ-CG 3.78Å; F24-Y227 HydrophobicContact CZ-CG 3.78Å; F24-P238 HydrophobicContact CD2-CB 4.18Å; F24-P238 HydrophobicContact CE2-CB 4.08Å; F24-P238 WeakPolarHBondContact CE2-O 3.38Å
25C96.6Very high97.9Very high13 Ų1322.2 Ų22.29%0.08810%0.101CC..  trans-83.1116178.9-179.30000111.4F22 Y27 V28 D29 V65F22-C25 HydrophobicContact CB-CB 3.98Å; F22-C25 HydrophobicContact CD1-CB 4.03Å; F22-C25 HydrophobicContact CG-CB 4.49Å; F22-C25 VanDerWaalsContact O-CB 3.26Å; F22-C25 WeakPolarHBondContact O-CB 3.19Å; F22-C25 PolarHBondContact O-N 3.29Å; C25-Y27 PolarHBondContact O-N 3.23Å; C25-Y27 VanDerWaalsContact O-N 3.17Å; C25-V28 HydrophobicContact CB-CB 4Å; C25-V28 HydrophobicContact CB-CG2 3.67Å; C25-V28 WeakPolarHBondContact O-CB 3.39Å; C25-V28 PolarHBondContact O-N 3.2Å; C25-D29 PolarHBondContact O-N 3.11Å; C25-D29 VanDerWaalsContact O-N 3.09Å; C25-V65 HydrophobicContact CB-CG2 4.41Å
26P97.2Very high98Very high21 Ų2117.1 Ų17.114%0.1368%0.075CC..Hα-helixtrans-65-22179.927.7-35.5000113.2F24 R30 P165 H166F24-P26 WeakPolarHBondContact O-CD 3.35Å; P26-R30 PolarHBondContact O-N 3.02Å; P26-P165 HydrophobicContact CB-CB 3.89Å; P26-P165 WeakPolarHBondContact O-CB 3.39Å; P26-H166 VanDerWaalsContact CG-NE2 3.28Å; P26-H166 WeakPolarHBondContact CG-NE2 3.33Å
27Y98.1Very high98.1Very high88 Ų8815.7 Ų15.735%0.3457%0.07SC..Hα-helixtrans-74.8-32.8174.9-55.6-73.7000112.3C25 R30 S79 S115 H166C25-Y27 PolarHBondContact O-N 3.23Å; C25-Y27 VanDerWaalsContact O-N 3.17Å; Y27-R30 WeakPolarHBondContact O-CB 3.38Å; Y27-S79 WeakPolarHBondContact O-CB 3.23Å; Y27-S115 WeakPolarHBondContact OH-CB 3.29Å; Y27-S115 PolarHBondContact OH-OG 3.36Å; Y27-H166 AromaticContact CE1-CE1 3.77Å; Y27-H166 AromaticContact CZ-CE1 3.98Å; Y27-H166 AromaticContact CZ-NE2 3.79Å
28V98.6Very high98.1Very high1 Ų117.2 Ų17.21%0.0068%0.076CC..Hα-helixtrans-71-39.2173.4175.60000109.8L19 C25 R30 V31 K32 V65 P66L19-V28 HydrophobicContact CD2-CG1 4.04Å; L19-V28 HydrophobicContact CG-CG1 4.4Å; C25-V28 HydrophobicContact CB-CB 4Å; C25-V28 HydrophobicContact CB-CG2 3.67Å; C25-V28 WeakPolarHBondContact O-CB 3.39Å; C25-V28 PolarHBondContact O-N 3.2Å; V28-R30 PolarHBondContact O-N 2.91Å; V28-V31 PolarHBondContact O-N 3.45Å; V28-K32 HydrophobicContact CG1-CD 4.09Å; V28-K32 HydrophobicContact CG1-CG 4.38Å; V28-K32 PolarHBondContact O-N 3.09Å; V28-V65 HydrophobicContact CG2-CB 4.01Å; V28-V65 HydrophobicContact CG2-CG2 3.96Å; V28-P66 HydrophobicContact CB-CB 4.48Å; V28-P66 HydrophobicContact CG2-CB 3.88Å; V28-P66 HydrophobicContact CG2-CG 4.49Å
29D98.3Very high98.1Very high8 Ų826.2 Ų26.24%0.04312%0.115CC..Hα-helixtrans-55.6-36.5175.5-70.4-29.7000112.1C25 V31 K32 L33 P165 R169C25-D29 PolarHBondContact O-N 3.11Å; C25-D29 VanDerWaalsContact O-N 3.09Å; D29-V31 VanDerWaalsContact C-N 3.3Å; D29-V31 PolarHBondContact O-N 2.88Å; D29-K32 PolarHBondContact O-N 2.86Å; D29-K32 IonicContact OD1-NZ 3Å; D29-L33 WeakPolarHBondContact O-CB 3.4Å; D29-L33 WeakPolarHBondContact O-CG 3.33Å; D29-L33 PolarHBondContact O-N 2.81Å; D29-P165 HydrophobicContact CB-CB 3.82Å; D29-P165 HydrophobicContact CB-CG 3.98Å; D29-R169 IonicContact OD2-CZ 3.82Å; D29-R169 IonicContact OD2-NH1 3.01Å; D29-R169 PolarHBondContact OD2-NH1 3.41Å; D29-R169 VanDerWaalsContact OD2-NH1 3.12Å; D29-R169 IonicContact OD2-NH2 3.55Å; D29-R169 PolarHBondContact OD2-NH2 3.45Å
30R98.5Very high98Very high9 Ų927 Ų273%0.03412%0.119CC..Hα-helixtrans-54.8-45.5173.5-63.3176.8171.1168.20.5112.4P26 Y27 V28 L33 I34 S79 I83 I111 L161 I162 P165P26-R30 PolarHBondContact O-N 3.02Å; Y27-R30 WeakPolarHBondContact O-CB 3.38Å; V28-R30 PolarHBondContact O-N 2.91Å; R30-L33 PolarHBondContact O-N 2.82Å; R30-I34 PolarHBondContact O-N 3Å; R30-S79 WeakPolarHBondContact CD-OG 3.45Å; R30-S79 PolarHBondContact NH1-OG 2.97Å; R30-I83 HydrophobicContact CB-CG2 3.93Å; R30-I83 WeakPolarHBondContact O-CG2 3.3Å; R30-I111 VanDerWaalsContact NH2-CG2 3.28Å; R30-L161 WeakPolarHBondContact CG-O 3.44Å; R30-I162 PolarHBondContact NE-O 2.79Å; R30-I162 PolarHBondContact NH2-O 2.85Å; R30-I162 VanDerWaalsContact NH2-O 3.09Å; R30-P165 HydrophobicContact CG-CG 3.87Å
31V98.8Very high97.9Very high0 Ų032.9 Ų32.90%015%0.151CC..Hα-helixtrans-71.4-40.5-178.5-175.10000110.5L19 V28 D29 L33 I34 L35 P66 I82 I83L19-V31 HydrophobicContact CD1-CB 4.16Å; L19-V31 HydrophobicContact CD1-CG1 3.86Å; L19-V31 HydrophobicContact CD2-CB 4.07Å; L19-V31 HydrophobicContact CD2-CG1 3.93Å; L19-V31 HydrophobicContact CG-CG1 4.48Å; V28-V31 PolarHBondContact O-N 3.45Å; D29-V31 VanDerWaalsContact C-N 3.3Å; D29-V31 PolarHBondContact O-N 2.88Å; V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 PolarHBondContact O-N 3.26Å; V31-I34 VanDerWaalsContact O-CG2 3.23Å; V31-I34 WeakPolarHBondContact O-CG2 3.47Å; V31-I34 PolarHBondContact O-N 2.72Å; V31-L35 HydrophobicContact CG1-CD1 3.78Å; V31-L35 HydrophobicContact CG1-CG 4.33Å; V31-L35 WeakPolarHBondContact O-CB 3.26Å; V31-L35 WeakPolarHBondContact O-CD1 3.44Å; V31-L35 VanDerWaalsContact O-CG 3.25Å; V31-L35 WeakPolarHBondContact O-CG 3.5Å; V31-L35 PolarHBondContact O-N 3.1Å; V31-L35 VanDerWaalsContact O-N 3.09Å; V31-P66 HydrophobicContact CG2-CB 3.95Å; V31-P66 HydrophobicContact CG2-CG 3.76Å; V31-I82 HydrophobicContact CB-CG2 4.26Å; V31-I82 HydrophobicContact CG1-CG2 3.59Å; V31-I82 HydrophobicContact CG2-CB 3.98Å; V31-I82 HydrophobicContact CG2-CD1 4.04Å; V31-I82 HydrophobicContact CG2-CG2 3.65Å; V31-I83 HydrophobicContact CG2-CG2 4.41Å
32K98.8Very high97.9Very high17 Ų1735.2 Ų35.27%0.07416%0.16CC..Hα-helixtrans-60.4-40.7174.4-66172.157.4-170.60111.7L19 V28 D29 S36 V217L19-K32 HydrophobicContact CD2-CG 3.73Å; V28-K32 HydrophobicContact CG1-CD 4.09Å; V28-K32 HydrophobicContact CG1-CG 4.38Å; V28-K32 PolarHBondContact O-N 3.09Å; D29-K32 PolarHBondContact O-N 2.86Å; D29-K32 IonicContact OD1-NZ 3Å; K32-S36 WeakPolarHBondContact O-CB 3.44Å; K32-S36 PolarHBondContact O-N 3.44Å; K32-V217 HydrophobicContact CB-CB 4.15Å; K32-V217 HydrophobicContact CB-CG2 4.14Å; K32-V217 VanDerWaalsContact CE-O 3.23Å; K32-V217 WeakPolarHBondContact CE-O 3.5Å; K32-V217 PolarHBondContact NZ-O 3.26Å
33L98.8Very high97.9Very high1 Ų136.8 Ų36.81%0.00517%0.169CC..Hα-helixtrans-65.1-46.1179.1-71.6168.8000112.6D29 R30 V31 S36 Y37 L161 F164 P165 F213 V214 V217 T218D29-L33 WeakPolarHBondContact O-CB 3.4Å; D29-L33 WeakPolarHBondContact O-CG 3.33Å; D29-L33 PolarHBondContact O-N 2.81Å; R30-L33 PolarHBondContact O-N 2.82Å; V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 PolarHBondContact O-N 3.26Å; L33-S36 PolarHBondContact O-N 2.95Å; L33-Y37 WeakPolarHBondContact O-CB 3.37Å; L33-Y37 PolarHBondContact O-N 3.03Å; L33-L161 HydrophobicContact CB-CD2 3.89Å; L33-L161 HydrophobicContact CB-CG 3.9Å; L33-L161 HydrophobicContact CD1-CG 4.42Å; L33-F164 HydrophobicContact CD1-CD1 3.8Å; L33-F164 HydrophobicContact CD1-CE1 4.46Å; L33-P165 HydrophobicContact CD1-CG 3.74Å; L33-F213 HydrophobicContact CB-CE2 4.41Å; L33-F213 HydrophobicContact CD2-CD2 4.19Å; L33-F213 HydrophobicContact CD2-CE2 4.13Å; L33-V214 HydrophobicContact CD2-CB 4.18Å; L33-V214 HydrophobicContact CD2-CG1 4.33Å; L33-V214 HydrophobicContact CD2-CG2 3.83Å; L33-V217 HydrophobicContact CD2-CG2 3.82Å; L33-V217 HydrophobicContact CG-CG2 4.37Å; L33-T218 HydrophobicContact CD2-CG2 4.43Å
34I98.7Very high98Very high0 Ų037.4 Ų37.40%018%0.177CC..Hα-helixtrans-67.4-39.5-179.8-165.468000111.6R30 V31 Y37 Y38 I83 I86 D87 L95 L158 L161R30-I34 PolarHBondContact O-N 3Å; V31-I34 VanDerWaalsContact O-CG2 3.23Å; V31-I34 WeakPolarHBondContact O-CG2 3.47Å; V31-I34 PolarHBondContact O-N 2.72Å; I34-Y37 PolarHBondContact O-N 3.44Å; I34-Y38 HydrophobicContact CD1-CD2 3.94Å; I34-Y38 HydrophobicContact CD1-CE2 3.55Å; I34-Y38 HydrophobicContact CG1-CD2 3.99Å; I34-Y38 HydrophobicContact CG1-CE2 4.02Å; I34-Y38 WeakPolarHBondContact O-CD2 3.24Å; I34-Y38 PolarHBondContact O-N 3.18Å; I34-Y38 VanDerWaalsContact O-N 3.11Å; I34-I83 HydrophobicContact CB-CB 4.26Å; I34-I83 HydrophobicContact CB-CG2 4.11Å; I34-I83 HydrophobicContact CG1-CB 4.42Å; I34-I83 HydrophobicContact CG2-CB 4.09Å; I34-I83 HydrophobicContact CG2-CG2 3.7Å; I34-I86 HydrophobicContact CB-CG2 4.41Å; I34-I86 HydrophobicContact CG1-CB 4.03Å; I34-I86 HydrophobicContact CG1-CG2 3.73Å; I34-I86 HydrophobicContact CG2-CB 4.02Å; I34-I86 HydrophobicContact CG2-CG1 4.33Å; I34-I86 HydrophobicContact CG2-CG2 3.95Å; I34-D87 HydrophobicContact CD1-CB 4.23Å; I34-L95 HydrophobicContact CD1-CD1 3.75Å; I34-L158 HydrophobicContact CD1-CD1 3.76Å; I34-L161 HydrophobicContact CB-CD2 3.8Å; I34-L161 HydrophobicContact CD1-CD2 3.73Å; I34-L161 HydrophobicContact CG1-CD2 4.38Å
35L98.6Very high98.1Very high0 Ų037.8 Ų37.80%018%0.179CC..Hα-helixtrans-65.1-42.1176.3-68.4169.1000110.7L17 V31 Y38 K39 V40 Y42 I86L17-L35 HydrophobicContact CD1-CD2 3.85Å; V31-L35 HydrophobicContact CG1-CD1 3.78Å; V31-L35 HydrophobicContact CG1-CG 4.33Å; V31-L35 WeakPolarHBondContact O-CB 3.26Å; V31-L35 WeakPolarHBondContact O-CD1 3.44Å; V31-L35 VanDerWaalsContact O-CG 3.25Å; V31-L35 WeakPolarHBondContact O-CG 3.5Å; V31-L35 PolarHBondContact O-N 3.1Å; V31-L35 VanDerWaalsContact O-N 3.09Å; L35-Y38 CarbonylContact O-C 3.52Å; L35-Y38 PolarHBondContact O-N 3.4Å; L35-K39 WeakPolarHBondContact O-CA 3.41Å; L35-K39 PolarHBondContact O-N 2.91Å; L35-V40 HydrophobicContact CD2-CB 3.86Å; L35-V40 HydrophobicContact CD2-CG1 3.89Å; L35-V40 PolarHBondContact O-N 3.02Å; L35-Y42 HydrophobicContact CB-CD1 3.97Å; L35-Y42 HydrophobicContact CB-CE1 3.92Å; L35-Y42 HydrophobicContact CD1-CD1 3.7Å; L35-Y42 HydrophobicContact CD1-CD2 4.01Å; L35-Y42 HydrophobicContact CD1-CE1 3.97Å; L35-Y42 HydrophobicContact CD1-CE2 4.25Å; L35-Y42 HydrophobicContact CD1-CG 3.73Å; L35-Y42 HydrophobicContact CG-CD1 4.34Å; L35-I86 HydrophobicContact CD2-CD1 3.95Å; L35-I86 HydrophobicContact CD2-CG1 4.18Å; L35-I86 HydrophobicContact CD2-CG2 4.12Å
36S98.6Very high98.2Very high19 Ų1938.4 Ų38.413%0.13318%0.181CC..Hα-helixtrans-63.9-42.6174.7-173.40000112.5K32 L33 Y38 K39 F213K32-S36 WeakPolarHBondContact O-CB 3.44Å; K32-S36 PolarHBondContact O-N 3.44Å; L33-S36 PolarHBondContact O-N 2.95Å; S36-Y38 VanDerWaalsContact C-N 3.34Å; S36-Y38 PolarHBondContact O-N 2.97Å; S36-K39 PolarHBondContact O-N 3.5Å; S36-K39 VanDerWaalsContact O-N 3.09Å; S36-F213 VanDerWaalsContact CB-O 3.3Å; S36-F213 WeakPolarHBondContact CB-O 3.41Å; S36-F213 VanDerWaalsContact OG-CA 3.26Å; S36-F213 WeakPolarHBondContact OG-CA 3.34Å; S36-F213 PolarHBondContact OG-O 2.93Å
37Y98.4Very high98.2Very high60 Ų6037.4 Ų37.424%0.23518%0.175CC..Hα-helixtrans-59.1-45.8178.5179.8-93.2000111.3L33 I34 K39 L95 R98 V156 F213L33-Y37 WeakPolarHBondContact O-CB 3.37Å; L33-Y37 PolarHBondContact O-N 3.03Å; I34-Y37 PolarHBondContact O-N 3.44Å; Y37-K39 VanDerWaalsContact C-N 3.3Å; Y37-K39 PolarHBondContact O-N 3.37Å; Y37-L95 HydrophobicContact CD1-CD1 3.8Å; Y37-L95 HydrophobicContact CD1-CG 4.22Å; Y37-L95 HydrophobicContact CD2-CD1 4.34Å; Y37-L95 HydrophobicContact CE1-CD1 3.86Å; Y37-L95 HydrophobicContact CE1-CD2 3.82Å; Y37-L95 HydrophobicContact CE1-CG 3.79Å; Y37-L95 HydrophobicContact CE2-CD1 4.4Å; Y37-L95 HydrophobicContact CE2-CD2 4.11Å; Y37-L95 HydrophobicContact CG-CD1 4.05Å; Y37-L95 WeakPolarHBondContact OH-CD2 3.49Å; Y37-R98 PolarHBondContact OH-NH1 3.48Å; Y37-V156 HydrophobicContact CE2-CG1 3.91Å; Y37-F213 AromaticContact CD2-CD1 3.81Å; Y37-F213 HydrophobicContact CD2-CD1 3.81Å; Y37-F213 HydrophobicContact CD2-CD2 4.28Å; Y37-F213 AromaticContact CD2-CE1 3.85Å; Y37-F213 HydrophobicContact CD2-CE1 3.85Å; Y37-F213 HydrophobicContact CD2-CE2 4.32Å; Y37-F213 HydrophobicContact CD2-CG 4.04Å; Y37-F213 HydrophobicContact CD2-CZ 4.13Å; Y37-F213 HydrophobicContact CE2-CE1 4.45Å
38Y98.1Very high98.1Very high43 Ų4333.8 Ų33.817%0.16916%0.162CC..THydrogen-bonded Turntrans-84.71.2176.9-72-62.1000114.5I34 L35 S36 V40 I86 D87I34-Y38 HydrophobicContact CD1-CD2 3.94Å; I34-Y38 HydrophobicContact CD1-CE2 3.55Å; I34-Y38 HydrophobicContact CG1-CD2 3.99Å; I34-Y38 HydrophobicContact CG1-CE2 4.02Å; I34-Y38 WeakPolarHBondContact O-CD2 3.24Å; I34-Y38 PolarHBondContact O-N 3.18Å; I34-Y38 VanDerWaalsContact O-N 3.11Å; L35-Y38 CarbonylContact O-C 3.52Å; L35-Y38 PolarHBondContact O-N 3.4Å; S36-Y38 VanDerWaalsContact C-N 3.34Å; S36-Y38 PolarHBondContact O-N 2.97Å; Y38-V40 PolarHBondContact O-N 3.44Å; Y38-I86 HydrophobicContact CD2-CG2 4.13Å; Y38-D87 HydrophobicContact CE2-CB 4.47Å; Y38-D87 PolarHBondContact OH-OD1 2.98Å
39K97.6Very high97.9Very high189 Ų18936.9 Ų36.982%0.82218%0.178SC*.THydrogen-bonded Turntrans52.241.7-177.3-55.6176.6-178.6177.20112.5L35 S36 Y37L35-K39 WeakPolarHBondContact O-CA 3.41Å; L35-K39 PolarHBondContact O-N 2.91Å; S36-K39 PolarHBondContact O-N 3.5Å; S36-K39 VanDerWaalsContact O-N 3.09Å; Y37-K39 VanDerWaalsContact C-N 3.3Å; Y37-K39 PolarHBondContact O-N 3.37Å
40V97.3Very high97.6Very high16 Ų1641 Ų4110%0.09721%0.214CC..  trans-86.3125.1179.6-178.60000108.7L17 L35 Y38 Y42 Y90L17-V40 HydrophobicContact CD1-CG1 3.52Å; L35-V40 HydrophobicContact CD2-CB 3.86Å; L35-V40 HydrophobicContact CD2-CG1 3.89Å; L35-V40 PolarHBondContact O-N 3.02Å; Y38-V40 PolarHBondContact O-N 3.44Å; V40-Y42 WeakPolarHBondContact O-CD1 3.49Å; V40-Y90 HydrophobicContact CG1-CE1 4.35Å; V40-Y90 HydrophobicContact CG1-CE2 4.03Å; V40-Y90 HydrophobicContact CG2-CD1 3.84Å; V40-Y90 HydrophobicContact CG2-CD2 3.72Å; V40-Y90 HydrophobicContact CG2-CE1 3.8Å; V40-Y90 HydrophobicContact CG2-CE2 3.67Å; V40-Y90 HydrophobicContact CG2-CG 3.8Å
41D96.8Very high97.5Very high124 Ų12442.5 Ų42.566%0.66323%0.225SC*.  trans-71136.9173.5-70.7-26.6000111
42Y98Very high97.4Very high49 Ų4945.5 Ų45.519%0.19224%0.239CC..EExtended strand (participates in β ladder)trans-152.8159.6177.968.9-78.2000110.5L17 L19 L35 V40 L44L17-Y42 CarbonylContact O-C 3.53Å; L17-Y42 VanDerWaalsContact O-CA 3.23Å; L17-Y42 WeakPolarHBondContact O-CA 3.37Å; L17-Y42 WeakPolarHBondContact O-CB 3.22Å; L19-Y42 HydrophobicContact CB-CD2 3.8Å; L19-Y42 HydrophobicContact CB-CE2 4.04Å; L19-Y42 HydrophobicContact CD2-CE2 3.99Å; L35-Y42 HydrophobicContact CB-CD1 3.97Å; L35-Y42 HydrophobicContact CB-CE1 3.92Å; L35-Y42 HydrophobicContact CD1-CD1 3.7Å; L35-Y42 HydrophobicContact CD1-CD2 4.01Å; L35-Y42 HydrophobicContact CD1-CE1 3.97Å; L35-Y42 HydrophobicContact CD1-CE2 4.25Å; L35-Y42 HydrophobicContact CD1-CG 3.73Å; L35-Y42 HydrophobicContact CG-CD1 4.34Å; V40-Y42 WeakPolarHBondContact O-CD1 3.49Å; Y42-L44 HydrophobicContact CE2-CB 4.05Å; Y42-L44 HydrophobicContact CE2-CD1 4.5Å
43D98.1Very high97.4Very high48 Ų4844.7 Ų44.726%0.25724%0.235SC..EExtended strand (participates in β ladder)trans-96.3136.1171.4-58.8-23.7000109.4R16 L17 T18 L19R16-D43 IonicContact CZ-OD1 2.75Å; R16-D43 IonicContact NE-OD1 2.88Å; R16-D43 PolarHBondContact NE-OD1 3.08Å; R16-D43 IonicContact NE-OD2 3.43Å; R16-D43 PolarHBondContact NE-OD2 2.92Å; R16-D43 IonicContact NH2-OD1 3.33Å; R16-D43 PolarHBondContact NH2-OD1 3.2Å; L17-D43 PolarHBondContact O-N 3.04Å; T18-D43 CarbonylContact C-O 3.52Å; T18-D43 WeakPolarHBondContact CA-O 3.07Å; T18-D43 HydrophobicContact CG2-CB 4.44Å; L19-D43 PolarHBondContact N-O 2.9Å
44L97.9Very high97.3Very high70 Ų7049 Ų4937%0.36626%0.255SS..EExtended strand (participates in β ladder)trans-107.5123.8178.6178.562.6000109.8L19 Y42L19-L44 HydrophobicContact CB-CD1 4.29Å; L19-L44 HydrophobicContact CD2-CD1 4.18Å; L19-L44 HydrophobicContact CG-CD1 4.09Å; Y42-L44 HydrophobicContact CE2-CB 4.05Å; Y42-L44 HydrophobicContact CE2-CD1 4.5Å
45I98.2Very high97.3Very high17 Ų1750.2 Ų50.29%0.08726%0.26CS..EExtended strand (participates in β ladder)trans-116.4103.6172.2-58.8167.7000108.1L3 P10 I12 T18 L19 I20 G21 I47 W55L3-I45 HydrophobicContact CD1-CG2 3.82Å; P10-I45 HydrophobicContact CG-CD1 3.64Å; P10-I45 HydrophobicContact CG-CG1 4.11Å; P10-I45 HydrophobicContact CG-CG2 4Å; I12-I45 HydrophobicContact CD1-CD1 4.46Å; I12-I45 HydrophobicContact CG1-CD1 4.04Å; T18-I45 HydrophobicContact CG2-CD1 3.49Å; T18-I45 VanDerWaalsContact CG2-CD1 3.49Å; T18-I45 HydrophobicContact CG2-CG1 4.03Å; L19-I45 PolarHBondContact O-N 3.1Å; I20-I45 WeakPolarHBondContact CA-O 3.37Å; I20-I45 HydrophobicContact CG1-CB 4.26Å; I20-I45 HydrophobicContact CG1-CD1 4.36Å; G21-I45 PolarHBondContact N-O 3.37Å; I45-I47 HydrophobicContact CG2-CG2 4.21Å; I45-W55 HydrophobicContact CG2-CH2 3.97Å
46D98.2Very high97.3Very high27 Ų2750.2 Ų50.214%0.14426%0.26CS..EExtended strand (participates in β ladder)trans-81.4130.2172.5-83.5-48000110.7H2 L3 F22 R23H2-D46 WeakPolarHBondContact CA-O 3.42Å; H2-D46 IonicContact NE2-OD1 3.23Å; L3-D46 PolarHBondContact N-O 2.94Å; F22-D46 WeakPolarHBondContact CA-OD1 3.47Å; F22-D46 PolarHBondContact N-OD1 3.14Å; R23-D46 PolarHBondContact N-OD1 2.87Å
47I98.2Very high97.3Very high0 Ų052.5 Ų52.50%027%0.27CS..BIsolated β-bridgetrans-118.8153.4177.564.3165.4000111.3L3 I20 G21 F22 I45 L49 P53 W55 F56 V65L3-I47 HydrophobicContact CB-CG2 4.45Å; L3-I47 CarbonylContact O-C 3.09Å; L3-I47 WeakPolarHBondContact O-CA 3.43Å; I20-I47 HydrophobicContact CG2-CD1 4.19Å; I20-I47 HydrophobicContact CG2-CG1 4.31Å; I20-I47 HydrophobicContact CG2-CG2 3.97Å; G21-I47 WeakPolarHBondContact O-CG1 3.47Å; G21-I47 PolarHBondContact O-N 3.3Å; F22-I47 VanDerWaalsContact CD2-O 3.31Å; F22-I47 WeakPolarHBondContact CD2-O 3.17Å; I45-I47 HydrophobicContact CG2-CG2 4.21Å; I47-L49 HydrophobicContact CG1-CD2 4.46Å; I47-L49 PolarHBondContact O-N 3.38Å; I47-P53 HydrophobicContact CB-CG 4.21Å; I47-P53 HydrophobicContact CG2-CG 4.01Å; I47-W55 HydrophobicContact CG2-CH2 3.89Å; I47-W55 HydrophobicContact CG2-CZ2 4.17Å; I47-F56 HydrophobicContact CD1-CD1 3.31Å; I47-F56 HydrophobicContact CD1-CD2 4.23Å; I47-F56 HydrophobicContact CD1-CE1 3.31Å; I47-F56 HydrophobicContact CD1-CE2 4.25Å; I47-F56 HydrophobicContact CD1-CG 3.78Å; I47-F56 HydrophobicContact CD1-CZ 3.81Å; I47-V65 HydrophobicContact CD1-CG1 3.96Å; I47-V65 HydrophobicContact CG1-CG1 4.27Å
48S96.2Very high97.2Very high12 Ų1257.2 Ų57.28%0.08430%0.295CS..  trans-74.4125.51711790000110.7L3 A50 S51 K52L3-S48 PolarHBondContact O-N 2.92Å; S48-A50 PolarHBondContact OG-N 2.94Å; S48-S51 CarbonylContact O-C 3.57Å; S48-S51 PolarHBondContact OG-N 3.49Å; S48-S51 VanDerWaalsContact OG-N 3.13Å; S48-K52 VanDerWaalsContact O-CA 3.24Å; S48-K52 WeakPolarHBondContact O-CA 3.39Å; S48-K52 VanDerWaalsContact O-CG 3.25Å; S48-K52 WeakPolarHBondContact O-CG 3.31Å; S48-K52 PolarHBondContact O-N 3.49Å
49L94.6Very high97.1Very high65 Ų6556.6 Ų56.634%0.3429%0.294SS..SBendtrans-78.4-23173.8-60.2-175.6000113.1F22 I47 K52 V65F22-L49 HydrophobicContact CB-CD1 3.81Å; F22-L49 HydrophobicContact CB-CD2 4.21Å; F22-L49 HydrophobicContact CB-CG 3.85Å; F22-L49 HydrophobicContact CD1-CD1 3.58Å; F22-L49 HydrophobicContact CD1-CG 4.12Å; F22-L49 HydrophobicContact CD2-CD1 4.4Å; F22-L49 HydrophobicContact CD2-CG 4.04Å; F22-L49 HydrophobicContact CE1-CD1 4.26Å; F22-L49 HydrophobicContact CG-CD1 3.67Å; F22-L49 HydrophobicContact CG-CG 3.74Å; I47-L49 HydrophobicContact CG1-CD2 4.46Å; I47-L49 PolarHBondContact O-N 3.38Å; L49-K52 WeakPolarHBondContact O-CE 3.4Å; L49-V65 HydrophobicContact CD1-CG2 4.25Å; L49-V65 HydrophobicContact CD2-CG1 4.24Å; L49-V65 HydrophobicContact CD2-CG2 3.81Å
50A92.2Very high97.1Very high96 Ų9649.1 Ų49.179%0.79326%0.26SS*.SBendtrans-80.5-30.5176.700000112.4S48S48-A50 PolarHBondContact OG-N 2.94Å
51S95Very high97.1Very high39 Ų3953.4 Ų53.427%0.27329%0.289SS..SBendtrans-13774.3178.3-173.10000109.5K4 R5 S48K4-S51 CarbonylContact C-O 3.44Å; K4-S51 WeakPolarHBondContact CA-O 3.39Å; R5-S51 VanDerWaalsContact CB-OG 3.24Å; R5-S51 WeakPolarHBondContact CB-OG 3.43Å; R5-S51 PolarHBondContact N-O 2.87Å; R5-S51 PolarHBondContact N-OG 3.12Å; S48-S51 CarbonylContact O-C 3.57Å; S48-S51 PolarHBondContact OG-N 3.49Å; S48-S51 VanDerWaalsContact OG-N 3.13Å
52K97.3Very high97.1Very high63 Ų6351.3 Ų51.327%0.27428%0.28SS..  trans-63.7138.7-174.8-67.5174.4-169.51670111.4S48 L49 L57 G63S48-K52 VanDerWaalsContact O-CA 3.24Å; S48-K52 WeakPolarHBondContact O-CA 3.39Å; S48-K52 VanDerWaalsContact O-CG 3.25Å; S48-K52 WeakPolarHBondContact O-CG 3.31Å; S48-K52 PolarHBondContact O-N 3.49Å; L49-K52 WeakPolarHBondContact O-CE 3.4Å; K52-L57 HydrophobicContact CB-CD1 4.26Å; K52-L57 HydrophobicContact CB-CD2 4.36Å; K52-L57 HydrophobicContact CB-CG 4.26Å; K52-L57 HydrophobicContact CD-CD2 4.08Å; K52-G63 VanDerWaalsContact CE-O 3.27Å; K52-G63 WeakPolarHBondContact CE-O 3.36Å; K52-G63 PolarHBondContact NZ-O 3.09Å
53P98.2Very high97Very high0 Ų049.1 Ų49.10%027%0.272CS..  trans-60.7143.7173.2-20.330.3000112.6L3 I47 W55 F56 L57L3-P53 HydrophobicContact CB-CG 4.02Å; L3-P53 WeakPolarHBondContact O-CG 3.5Å; I47-P53 HydrophobicContact CB-CG 4.21Å; I47-P53 HydrophobicContact CG2-CG 4.01Å; P53-W55 HydrophobicContact CB-CD2 4.01Å; P53-W55 HydrophobicContact CB-CG 4.15Å; P53-W55 HydrophobicContact CB-CZ2 3.77Å; P53-W55 HydrophobicContact CG-CZ2 3.74Å; P53-F56 HydrophobicContact CB-CB 4.26Å; P53-F56 WeakPolarHBondContact O-CB 3.41Å; P53-F56 PolarHBondContact O-N 3.5Å; P53-L57 PolarHBondContact O-N 3.09Å
54E98.1Very high97Very high93 Ų9352.4 Ų52.444%0.43529%0.285SS..Hα-helixtrans-64.7-44.5179.7-74.2153.1-173.100111.4R5 N6 F56 L57 E58R5-E54 HydrophobicContact CG-CG 4.4Å; R5-E54 WeakPolarHBondContact CG-OE1 3.45Å; N6-E54 PolarHBondContact OD1-OE1 3.11Å; E54-F56 PolarHBondContact O-N 2.9Å; E54-F56 VanDerWaalsContact O-N 3.11Å; E54-L57 PolarHBondContact O-N 3.42Å; E54-E58 WeakPolarHBondContact O-CG 3.25Å; E54-E58 PolarHBondContact O-N 3.44Å
55W97.8Very high97Very high24 Ų2450.1 Ų50.19%0.09127%0.273CS..Hα-helixtrans-58.8-27.1176.461.3-104.1000113.3L3 D7 K9 P10 I20 I45 I47 P53 M59L3-W55 HydrophobicContact CB-CZ2 4.32Å; L3-W55 HydrophobicContact CD1-CH2 4.44Å; L3-W55 HydrophobicContact CD1-CZ2 3.7Å; D7-W55 PolarHBondContact O-NE1 3.02Å; D7-W55 VanDerWaalsContact O-NE1 3.08Å; K9-W55 HydrophobicContact CB-CB 3.89Å; K9-W55 HydrophobicContact CB-CD2 3.92Å; K9-W55 HydrophobicContact CB-CE3 4.5Å; K9-W55 HydrophobicContact CB-CG 3.6Å; K9-W55 HydrophobicContact CD-CB 4.38Å; K9-W55 HydrophobicContact CG-CB 4.25Å; K9-W55 HydrophobicContact CG-CD2 3.86Å; K9-W55 HydrophobicContact CG-CE3 3.93Å; K9-W55 HydrophobicContact CG-CG 4Å; P10-W55 HydrophobicContact CG-CZ2 4.49Å; I20-W55 HydrophobicContact CD1-CZ3 4.27Å; I45-W55 HydrophobicContact CG2-CH2 3.97Å; I47-W55 HydrophobicContact CG2-CH2 3.89Å; I47-W55 HydrophobicContact CG2-CZ2 4.17Å; P53-W55 HydrophobicContact CB-CD2 4.01Å; P53-W55 HydrophobicContact CB-CG 4.15Å; P53-W55 HydrophobicContact CB-CZ2 3.77Å; P53-W55 HydrophobicContact CG-CZ2 3.74Å; W55-M59 WeakPolarHBondContact O-CB 3.23Å; W55-M59 PolarHBondContact O-N 2.77Å
56F98.3Very high97.1Very high0 Ų049.5 Ų49.50%027%0.271CS..Hα-helixtrans-75.4-43.7176173.8-113.7000110.8I20 I47 P53 E54 M59 Y60 V65 L67I20-F56 HydrophobicContact CB-CE2 4.32Å; I20-F56 HydrophobicContact CD1-CD2 4.15Å; I20-F56 HydrophobicContact CD1-CE2 4.31Å; I20-F56 HydrophobicContact CG2-CD2 3.84Å; I20-F56 HydrophobicContact CG2-CE2 3.64Å; I20-F56 HydrophobicContact CG2-CZ 4.36Å; I47-F56 HydrophobicContact CD1-CD1 3.31Å; I47-F56 HydrophobicContact CD1-CD2 4.23Å; I47-F56 HydrophobicContact CD1-CE1 3.31Å; I47-F56 HydrophobicContact CD1-CE2 4.25Å; I47-F56 HydrophobicContact CD1-CG 3.78Å; I47-F56 HydrophobicContact CD1-CZ 3.81Å; P53-F56 HydrophobicContact CB-CB 4.26Å; P53-F56 WeakPolarHBondContact O-CB 3.41Å; P53-F56 PolarHBondContact O-N 3.5Å; E54-F56 PolarHBondContact O-N 2.9Å; E54-F56 VanDerWaalsContact O-N 3.11Å; F56-M59 PolarHBondContact O-N 2.92Å; F56-Y60 HydrophobicContact CE2-CD1 4.42Å; F56-Y60 HydrophobicContact CZ-CD1 4.07Å; F56-Y60 PolarHBondContact O-N 2.9Å; F56-V65 HydrophobicContact CZ-CG1 4.06Å; F56-L67 HydrophobicContact CE2-CB 4.45Å; F56-L67 HydrophobicContact CE2-CD2 3.98Å
57L98Very high97.1Very high67 Ų6748.2 Ų48.235%0.35126%0.264SS..Hα-helixtrans-68.1-34.6177.7-64.8175.6000112.1K52 P53 E54 Y60 P61K52-L57 HydrophobicContact CB-CD1 4.26Å; K52-L57 HydrophobicContact CB-CD2 4.36Å; K52-L57 HydrophobicContact CB-CG 4.26Å; K52-L57 HydrophobicContact CD-CD2 4.08Å; P53-L57 PolarHBondContact O-N 3.09Å; E54-L57 PolarHBondContact O-N 3.42Å; L57-Y60 CarbonylContact O-C 3.36Å; L57-P61 WeakPolarHBondContact O-CA 3.33Å; L57-P61 WeakPolarHBondContact O-CD 3.25Å; L57-P61 WeakPolarHBondContact O-CG 3.24Å; L57-P61 VanDerWaalsContact O-N 3.12Å
58E97.4Very high97.1Very high160 Ų16048.2 Ų48.275%0.74826%0.264SS*.Hα-helixtrans-63.5-42.2170.9-71.6173.7-17900111.6E54E54-E58 WeakPolarHBondContact O-CG 3.25Å; E54-E58 PolarHBondContact O-N 3.44Å
59M95.9Very high97.2Very high30 Ų3048.5 Ų48.515%0.14826%0.264CS..Hα-helixtrans-71.5-38.2178.9-175.2-172.8-57.300112.6I12 I20 W55 F56 L69 K75I12-M59 HydrophobicContact CD1-CE 3.79Å; I20-M59 HydrophobicContact CD1-SD 4.27Å; W55-M59 WeakPolarHBondContact O-CB 3.23Å; W55-M59 PolarHBondContact O-N 2.77Å; F56-M59 PolarHBondContact O-N 2.92Å; M59-L69 HydrophobicContact SD-CD1 4.03Å; M59-L69 HydrophobicContact SD-CD2 3.97Å; M59-K75 HydrophobicContact CG-CD 4.1Å; M59-K75 VanDerWaalsContact CG-CE 3.46Å; M59-K75 PolarHBondContact O-NZ 2.75Å
60Y97.1Very high97.4Very high31 Ų3145.9 Ų45.912%0.12225%0.25CS..  trans-144.986.6-175.5-174.7-120.5000110.8F56 L57 T62 G63 K64 L67 P77F56-Y60 HydrophobicContact CE2-CD1 4.42Å; F56-Y60 HydrophobicContact CZ-CD1 4.07Å; F56-Y60 PolarHBondContact O-N 2.9Å; L57-Y60 CarbonylContact O-C 3.36Å; Y60-T62 HydrophobicContact CE1-CG2 4.24Å; Y60-T62 PolarHBondContact O-N 3.39Å; Y60-T62 VanDerWaalsContact O-N 3.1Å; Y60-G63 PolarHBondContact O-N 2.74Å; Y60-K64 HydrophobicContact CE1-CB 4.26Å; Y60-K64 WeakPolarHBondContact CE1-O 3.37Å; Y60-L67 HydrophobicContact CD1-CD1 4.05Å; Y60-L67 HydrophobicContact CD1-CD2 4.07Å; Y60-L67 HydrophobicContact CD2-CD1 3.99Å; Y60-L67 HydrophobicContact CD2-CD2 4.46Å; Y60-L67 HydrophobicContact CE1-CD1 4.12Å; Y60-L67 HydrophobicContact CE2-CD1 4.08Å; Y60-L67 HydrophobicContact CG-CD1 3.99Å; Y60-L67 HydrophobicContact CG-CD2 3.83Å; Y60-P77 HydrophobicContact CE2-CB 4.26Å; Y60-P77 VanDerWaalsContact OH-CB 3.22Å; Y60-P77 WeakPolarHBondContact OH-CB 3.23Å
61P97.3Very high97.5Very high107 Ų10744.4 Ų44.470%0.69523%0.233SC*.THydrogen-bonded Turntrans-59-26.9-172.8-29.236.2000115.5L57 G63L57-P61 WeakPolarHBondContact O-CA 3.33Å; L57-P61 WeakPolarHBondContact O-CD 3.25Å; L57-P61 WeakPolarHBondContact O-CG 3.24Å; L57-P61 VanDerWaalsContact O-N 3.12Å; P61-G63 PolarHBondContact O-N 3.28Å
62T96.9Very high97.4Very high80 Ų8047.4 Ų47.449%0.49125%0.246SC..THydrogen-bonded Turntrans-59.1-27.7174.1-53.80000111.9Y60 K64Y60-T62 HydrophobicContact CE1-CG2 4.24Å; Y60-T62 PolarHBondContact O-N 3.39Å; Y60-T62 VanDerWaalsContact O-N 3.1Å; T62-K64 HydrophobicContact CG2-CB 4.23Å; T62-K64 HydrophobicContact CG2-CD 3.79Å; T62-K64 HydrophobicContact CG2-CG 3.86Å; T62-K64 PolarHBondContact O-N 3.13Å
63G96.6Very high97.2Very high2 Ų247.3 Ų47.32%0.02126%0.262CS..  trans61.917.5172.600000114.9K52 Y60 P61K52-G63 VanDerWaalsContact CE-O 3.27Å; K52-G63 WeakPolarHBondContact CE-O 3.36Å; K52-G63 PolarHBondContact NZ-O 3.09Å; Y60-G63 PolarHBondContact O-N 2.74Å; P61-G63 PolarHBondContact O-N 3.28Å
64K97.9Very high97.1Very high118 Ų11852.3 Ų52.351%0.51329%0.286SS..  trans-87.2154.8174.7-72.4178.1-174.6-179.40110.4Y60 T62Y60-K64 HydrophobicContact CE1-CB 4.26Å; Y60-K64 WeakPolarHBondContact CE1-O 3.37Å; T62-K64 HydrophobicContact CG2-CB 4.23Å; T62-K64 HydrophobicContact CG2-CD 3.79Å; T62-K64 HydrophobicContact CG2-CG 3.86Å; T62-K64 PolarHBondContact O-N 3.13Å
65V98.5Very high97.1Very high21 Ų2152.5 Ų52.513%0.12729%0.285CS..SBendtrans-125152.7170.5-64.40000109.3F22 C25 V28 I47 L49 F56F22-V65 HydrophobicContact CB-CG2 4.19Å; C25-V65 HydrophobicContact CB-CG2 4.41Å; V28-V65 HydrophobicContact CG2-CB 4.01Å; V28-V65 HydrophobicContact CG2-CG2 3.96Å; I47-V65 HydrophobicContact CD1-CG1 3.96Å; I47-V65 HydrophobicContact CG1-CG1 4.27Å; L49-V65 HydrophobicContact CD1-CG2 4.25Å; L49-V65 HydrophobicContact CD2-CG1 4.24Å; L49-V65 HydrophobicContact CD2-CG2 3.81Å; F56-V65 HydrophobicContact CZ-CG1 4.06Å
66P98.8Very high97.1Very high5 Ų552.7 Ų52.73%0.03229%0.288CS..  cis-70154.1-0.729.7-36.4000113.7L19 V28 V31 I82L19-P66 HydrophobicContact CD1-CB 3.75Å; V28-P66 HydrophobicContact CB-CB 4.48Å; V28-P66 HydrophobicContact CG2-CB 3.88Å; V28-P66 HydrophobicContact CG2-CG 4.49Å; V31-P66 HydrophobicContact CG2-CB 3.95Å; V31-P66 HydrophobicContact CG2-CG 3.76Å; P66-I82 HydrophobicContact CB-CD1 4.03Å; P66-I82 HydrophobicContact CG-CD1 3.82Å
67L98.7Very high97.1Very high0 Ų054.5 Ų54.50%030%0.3CS..EExtended strand (participates in β ladder)trans-127.6121162.7-173.773.2000108I20 F56 Y60 L69 K75 P77I20-L67 HydrophobicContact CB-CB 4.39Å; I20-L67 HydrophobicContact CD1-CD2 4.44Å; I20-L67 PolarHBondContact N-O 3.42Å; I20-L67 PolarHBondContact O-N 3.02Å; F56-L67 HydrophobicContact CE2-CB 4.45Å; F56-L67 HydrophobicContact CE2-CD2 3.98Å; Y60-L67 HydrophobicContact CD1-CD1 4.05Å; Y60-L67 HydrophobicContact CD1-CD2 4.07Å; Y60-L67 HydrophobicContact CD2-CD1 3.99Å; Y60-L67 HydrophobicContact CD2-CD2 4.46Å; Y60-L67 HydrophobicContact CE1-CD1 4.12Å; Y60-L67 HydrophobicContact CE2-CD1 4.08Å; Y60-L67 HydrophobicContact CG-CD1 3.99Å; Y60-L67 HydrophobicContact CG-CD2 3.83Å; L67-L69 HydrophobicContact CD2-CD2 3.98Å; L67-L69 HydrophobicContact CG-CD2 4.21Å; L67-K75 HydrophobicContact CD1-CB 4.14Å; L67-P77 HydrophobicContact CD1-CB 4.26Å
68L98.7Very high97Very high0 Ų055.5 Ų55.50%030%0.302CS..EExtended strand (participates in β ladder)trans-100.1123.1175.9-175.871.4000109.6L17 L19 L70 L76 I82 I86L17-L68 HydrophobicContact CB-CD1 4.27Å; L17-L68 HydrophobicContact CD2-CD1 4.44Å; L17-L68 HydrophobicContact CD2-CD2 4.29Å; L17-L68 HydrophobicContact CD2-CG 4.44Å; L19-L68 HydrophobicContact CB-CD1 4.37Å; L68-L70 HydrophobicContact CD2-CD2 3.82Å; L68-L70 HydrophobicContact CG-CD2 4.12Å; L68-L76 HydrophobicContact CB-CB 4.38Å; L68-L76 PolarHBondContact N-O 3.48Å; L68-L76 PolarHBondContact O-N 2.87Å; L68-I82 HydrophobicContact CB-CD1 4.09Å; L68-I82 HydrophobicContact CB-CG1 4.24Å; L68-I82 HydrophobicContact CB-CG2 4.03Å; L68-I82 HydrophobicContact CD2-CG2 3.66Å; L68-I82 HydrophobicContact CG-CG2 4.42Å; L68-I86 HydrophobicContact CD2-CD1 3.89Å; L68-I86 HydrophobicContact CD2-CG1 4.27Å
69L98.2Very high97.1Very high17 Ų1748.1 Ų48.19%0.08927%0.268CS..EExtended strand (participates in β ladder)trans-93.2128.2172.1-47.6-178000108.9I12 L17 T18 I20 M59 L67 K75I12-L69 HydrophobicContact CD1-CD1 3.76Å; I12-L69 HydrophobicContact CG2-CD1 3.96Å; L17-L69 WeakPolarHBondContact CA-O 3.35Å; T18-L69 HydrophobicContact CG2-CD1 4.28Å; T18-L69 PolarHBondContact N-O 3.45Å; T18-L69 PolarHBondContact O-N 3.07Å; I20-L69 HydrophobicContact CD1-CD1 3.95Å; I20-L69 HydrophobicContact CD1-CG 4.31Å; M59-L69 HydrophobicContact SD-CD1 4.03Å; M59-L69 HydrophobicContact SD-CD2 3.97Å; L67-L69 HydrophobicContact CD2-CD2 3.98Å; L67-L69 HydrophobicContact CG-CD2 4.21Å; L69-K75 HydrophobicContact CD2-CB 4.25Å; L69-K75 HydrophobicContact CD2-CD 4.43Å; L69-K75 HydrophobicContact CD2-CG 3.79Å
70L97.7Very high97.2Very high10 Ų1047.8 Ų47.85%0.05227%0.267CS..PPolyproline II helixtrans-95.2154.7178.2-59.4-170.2000111.2L17 L68 N72 G73 E74 L76 Y85L17-L70 HydrophobicContact CD2-CD2 3.39Å; L68-L70 HydrophobicContact CD2-CD2 3.82Å; L68-L70 HydrophobicContact CG-CD2 4.12Å; L70-N72 WeakPolarHBondContact CB-OD1 3.12Å; L70-N72 PolarHBondContact O-N 3.35Å; L70-N72 VanDerWaalsContact O-N 3.09Å; L70-G73 PolarHBondContact O-N 2.84Å; L70-E74 HydrophobicContact CB-CB 4.38Å; L70-E74 HydrophobicContact CD1-CB 4.13Å; L70-E74 HydrophobicContact CG-CB 4.44Å; L70-E74 PolarHBondContact N-O 2.97Å; L70-L76 HydrophobicContact CD1-CD1 3.88Å; L70-L76 HydrophobicContact CD1-CG 4.12Å; L70-L76 HydrophobicContact CD2-CD1 4.21Å; L70-L76 HydrophobicContact CG-CD1 4.25Å; L70-L76 HydrophobicContact CG-CG 4.33Å; L70-Y85 HydrophobicContact CD1-CE1 3.83Å; L70-Y85 HydrophobicContact CD1-CE2 4.44Å; L70-Y85 WeakPolarHBondContact CD1-OH 3.26Å; L70-Y85 HydrophobicContact CD2-CE1 3.92Å
71P95.5Very high97.2Very high66 Ų6649.1 Ų49.143%0.42928%0.278SS..THydrogen-bonded Turntrans-58.9-22.6177.7-28.335.7000115.2P14 G73P14-P71 CarbonylContact O-C 3.51Å; P14-P71 WeakPolarHBondContact O-CA 3.47Å; P14-P71 WeakPolarHBondContact O-CB 3.5Å; P14-P71 VanDerWaalsContact O-O 3.07Å; P71-G73 PolarHBondContact O-N 2.85Å
72N92.6Very high97.3Very high102 Ų10244 Ų4455%0.54525%0.245SC..THydrogen-bonded Turntrans-82.83.8176.467.9-0.6000113.6L70 E74L70-N72 WeakPolarHBondContact CB-OD1 3.12Å; L70-N72 PolarHBondContact O-N 3.35Å; L70-N72 VanDerWaalsContact O-N 3.09Å; N72-E74 VanDerWaalsContact C-N 3.35Å; N72-E74 PolarHBondContact ND2-OE2 3.19Å; N72-E74 VanDerWaalsContact OD1-CB 3.3Å; N72-E74 WeakPolarHBondContact OD1-CB 3.28Å; N72-E74 WeakPolarHBondContact OD1-CG 3.44Å; N72-E74 PolarHBondContact OD1-N 2.76Å
73G93Very high97.4Very high60 Ų6040.2 Ų40.262%0.61922%0.222SC*.SBendtrans86.2-3.6-179.200000115L70 P71L70-G73 PolarHBondContact O-N 2.84Å; P71-G73 PolarHBondContact O-N 2.85Å
74E96Very high97.4Very high106 Ų10643.2 Ų43.250%0.49523%0.233SC..  trans-69149174-67.3-174100.900111.7L70 N72L70-E74 HydrophobicContact CB-CB 4.38Å; L70-E74 HydrophobicContact CD1-CB 4.13Å; L70-E74 HydrophobicContact CG-CB 4.44Å; L70-E74 PolarHBondContact N-O 2.97Å; N72-E74 VanDerWaalsContact C-N 3.35Å; N72-E74 PolarHBondContact ND2-OE2 3.19Å; N72-E74 VanDerWaalsContact OD1-CB 3.3Å; N72-E74 WeakPolarHBondContact OD1-CB 3.28Å; N72-E74 WeakPolarHBondContact OD1-CG 3.44Å; N72-E74 PolarHBondContact OD1-N 2.76Å
75K97.4Very high97.5Very high96 Ų9641.6 Ų41.642%0.41722%0.224SC..EExtended strand (participates in β ladder)trans-118.4113.6178.9-52.6175-174.6158.80108.3M59 L67 L69 P77M59-K75 HydrophobicContact CG-CD 4.1Å; M59-K75 VanDerWaalsContact CG-CE 3.46Å; M59-K75 PolarHBondContact O-NZ 2.75Å; L67-K75 HydrophobicContact CD1-CB 4.14Å; L69-K75 HydrophobicContact CD2-CB 4.25Å; L69-K75 HydrophobicContact CD2-CD 4.43Å; L69-K75 HydrophobicContact CD2-CG 3.79Å; K75-P77 WeakPolarHBondContact O-CD 3.49Å
76L98Very high97.5Very high28 Ų2840.6 Ų40.615%0.14722%0.218CC..EExtended strand (participates in β ladder)trans-98.7113.2178.4-65.5-176.7000110.3L68 L70 I82 Y85L68-L76 HydrophobicContact CB-CB 4.38Å; L68-L76 PolarHBondContact N-O 3.48Å; L68-L76 PolarHBondContact O-N 2.87Å; L70-L76 HydrophobicContact CD1-CD1 3.88Å; L70-L76 HydrophobicContact CD1-CG 4.12Å; L70-L76 HydrophobicContact CD2-CD1 4.21Å; L70-L76 HydrophobicContact CG-CD1 4.25Å; L70-L76 HydrophobicContact CG-CG 4.33Å; L76-I82 HydrophobicContact CB-CG1 3.95Å; L76-I82 VanDerWaalsContact O-CD1 3.26Å; L76-I82 WeakPolarHBondContact O-CD1 3.36Å; L76-I82 WeakPolarHBondContact O-CG1 3.45Å; L76-Y85 HydrophobicContact CD1-CD1 3.53Å; L76-Y85 HydrophobicContact CD1-CD2 3.92Å; L76-Y85 HydrophobicContact CD1-CE1 3.92Å; L76-Y85 HydrophobicContact CD1-CE2 4.27Å; L76-Y85 HydrophobicContact CD1-CG 3.53Å
77P98.1Very high97.4Very high39 Ų3940.4 Ų40.425%0.25322%0.217SC..EExtended strand (participates in β ladder)trans-88.4-179169.438.5-35.9000111Y60 L67 K75Y60-P77 HydrophobicContact CE2-CB 4.26Å; Y60-P77 VanDerWaalsContact OH-CB 3.22Å; Y60-P77 WeakPolarHBondContact OH-CB 3.23Å; L67-P77 HydrophobicContact CD1-CB 4.26Å; K75-P77 WeakPolarHBondContact O-CD 3.49Å
78E97.7Very high97.4Very high87 Ų8748.8 Ų48.841%0.40725%0.253SS..SBendtrans63.9109.8173.9-54.1-57.815500113.6D80 V81 I82E78-D80 PolarHBondContact O-N 3Å; E78-D80 VanDerWaalsContact O-N 3.09Å; E78-V81 HydrophobicContact CB-CB 4.22Å; E78-V81 HydrophobicContact CB-CG2 3.93Å; E78-V81 WeakPolarHBondContact O-CB 3.27Å; E78-V81 PolarHBondContact O-N 2.78Å; E78-I82 WeakPolarHBondContact O-CG1 3.46Å; E78-I82 PolarHBondContact O-N 3.09Å
79S98.4Very high97.3Very high5 Ų553.3 Ų53.34%0.03528%0.277CS..Hα-helixtrans-53.5-36.8-173.8610000114.3Y27 R30 I83Y27-S79 WeakPolarHBondContact O-CB 3.23Å; R30-S79 WeakPolarHBondContact CD-OG 3.45Å; R30-S79 PolarHBondContact NH1-OG 2.97Å; S79-I83 WeakPolarHBondContact O-CG1 3.42Å; S79-I83 WeakPolarHBondContact O-CG2 3.15Å; S79-I83 PolarHBondContact O-N 2.83Å
80D97.5Very high97.2Very high24 Ų2457.3 Ų57.313%0.12829%0.292CS..Hα-helixtrans-73.5-33.9-179.569.5-64.8000112.1E78 I83 R84 F104 I162E78-D80 PolarHBondContact O-N 3Å; E78-D80 VanDerWaalsContact O-N 3.09Å; D80-I83 WeakPolarHBondContact O-CG1 3.26Å; D80-R84 WeakPolarHBondContact O-CG 3.47Å; D80-R84 VanDerWaalsContact O-CZ 3.31Å; D80-R84 PolarHBondContact O-N 3.01Å; D80-R84 PolarHBondContact O-NH1 3.25Å; D80-R84 IonicContact OD2-CZ 3.36Å; D80-R84 IonicContact OD2-NH1 3.36Å; D80-R84 PolarHBondContact OD2-NH1 3.44Å; D80-R84 IonicContact OD2-NH2 3.02Å; D80-R84 PolarHBondContact OD2-NH2 3.3Å; D80-F104 HydrophobicContact CB-CZ 4.23Å; D80-I162 HydrophobicContact CB-CD1 4.19Å
81V98.1Very high97.1Very high58 Ų5857.5 Ų57.535%0.35230%0.296SS..Hα-helixtrans-67.2-47.4172.8177.10000109.9E78 I83 R84 Y85E78-V81 HydrophobicContact CB-CB 4.22Å; E78-V81 HydrophobicContact CB-CG2 3.93Å; E78-V81 WeakPolarHBondContact O-CB 3.27Å; E78-V81 PolarHBondContact O-N 2.78Å; V81-I83 PolarHBondContact O-N 3.37Å; V81-R84 PolarHBondContact O-N 3.28Å; V81-Y85 WeakPolarHBondContact O-CB 3.38Å; V81-Y85 PolarHBondContact O-N 3Å
82I98.8Very high96.8Very high0 Ų061 Ų610%032%0.322CS..Hα-helixtrans-59.1-49.3179.9-63.6165.2000110.8V31 P66 L68 L76 E78 R84 Y85 I86V31-I82 HydrophobicContact CB-CG2 4.26Å; V31-I82 HydrophobicContact CG1-CG2 3.59Å; V31-I82 HydrophobicContact CG2-CB 3.98Å; V31-I82 HydrophobicContact CG2-CD1 4.04Å; V31-I82 HydrophobicContact CG2-CG2 3.65Å; P66-I82 HydrophobicContact CB-CD1 4.03Å; P66-I82 HydrophobicContact CG-CD1 3.82Å; L68-I82 HydrophobicContact CB-CD1 4.09Å; L68-I82 HydrophobicContact CB-CG1 4.24Å; L68-I82 HydrophobicContact CB-CG2 4.03Å; L68-I82 HydrophobicContact CD2-CG2 3.66Å; L68-I82 HydrophobicContact CG-CG2 4.42Å; L76-I82 HydrophobicContact CB-CG1 3.95Å; L76-I82 VanDerWaalsContact O-CD1 3.26Å; L76-I82 WeakPolarHBondContact O-CD1 3.36Å; L76-I82 WeakPolarHBondContact O-CG1 3.45Å; E78-I82 WeakPolarHBondContact O-CG1 3.46Å; E78-I82 PolarHBondContact O-N 3.09Å; I82-R84 PolarHBondContact O-N 2.78Å; I82-Y85 WeakPolarHBondContact O-CB 3.22Å; I82-Y85 PolarHBondContact O-N 3.22Å; I82-I86 HydrophobicContact CG2-CG1 4.4Å; I82-I86 WeakPolarHBondContact O-CG1 3.2Å; I82-I86 PolarHBondContact O-N 2.81Å
83I98.7Very high96.8Very high0 Ų061.2 Ų61.20%032%0.319CS..Hα-helixtrans-66.1-38.1-177.767.8179.1000112.3R30 V31 I34 S79 D80 V81 Y85 I86 D87 F104 L158 I162R30-I83 HydrophobicContact CB-CG2 3.93Å; R30-I83 WeakPolarHBondContact O-CG2 3.3Å; V31-I83 HydrophobicContact CG2-CG2 4.41Å; I34-I83 HydrophobicContact CB-CB 4.26Å; I34-I83 HydrophobicContact CB-CG2 4.11Å; I34-I83 HydrophobicContact CG1-CB 4.42Å; I34-I83 HydrophobicContact CG2-CB 4.09Å; I34-I83 HydrophobicContact CG2-CG2 3.7Å; S79-I83 WeakPolarHBondContact O-CG1 3.42Å; S79-I83 WeakPolarHBondContact O-CG2 3.15Å; S79-I83 PolarHBondContact O-N 2.83Å; D80-I83 WeakPolarHBondContact O-CG1 3.26Å; V81-I83 PolarHBondContact O-N 3.37Å; I83-Y85 VanDerWaalsContact C-N 3.3Å; I83-Y85 PolarHBondContact O-N 2.7Å; I83-I86 PolarHBondContact O-N 3.01Å; I83-D87 WeakPolarHBondContact O-CB 3.46Å; I83-D87 PolarHBondContact O-N 3.04Å; I83-F104 HydrophobicContact CD1-CE2 4.16Å; I83-F104 HydrophobicContact CD1-CZ 4.5Å; I83-L158 HydrophobicContact CB-CD1 4.13Å; I83-L158 HydrophobicContact CD1-CD1 3.93Å; I83-L158 HydrophobicContact CD1-CD2 4.35Å; I83-L158 HydrophobicContact CD1-CG 3.95Å; I83-L158 HydrophobicContact CG1-CD1 4.03Å; I83-L158 HydrophobicContact CG1-CD2 4.2Å; I83-L158 HydrophobicContact CG1-CG 4.25Å; I83-I162 HydrophobicContact CD1-CD1 3.56Å; I83-I162 HydrophobicContact CD1-CG1 3.95Å
84R98.3Very high97Very high65 Ų6559.9 Ų59.925%0.24530%0.299CS..Hα-helixtrans-65.1-35.4174.5-73.3-170.9-55.1-90.8-3.4111.9D80 V81 I82 K88 L96 F104 L158D80-R84 WeakPolarHBondContact O-CG 3.47Å; D80-R84 VanDerWaalsContact O-CZ 3.31Å; D80-R84 PolarHBondContact O-N 3.01Å; D80-R84 PolarHBondContact O-NH1 3.25Å; D80-R84 IonicContact OD2-CZ 3.36Å; D80-R84 IonicContact OD2-NH1 3.36Å; D80-R84 PolarHBondContact OD2-NH1 3.44Å; D80-R84 IonicContact OD2-NH2 3.02Å; D80-R84 PolarHBondContact OD2-NH2 3.3Å; V81-R84 PolarHBondContact O-N 3.28Å; I82-R84 PolarHBondContact O-N 2.78Å; R84-K88 WeakPolarHBondContact O-CB 3.41Å; R84-K88 PolarHBondContact O-N 3.43Å; R84-L96 HydrophobicContact CG-CD2 4.4Å; R84-F104 HydrophobicContact CG-CZ 4.22Å; R84-L158 HydrophobicContact CG-CD2 3.68Å
85Y98.2Very high97.1Very high84 Ų8454.8 Ų54.833%0.32928%0.276SS..Hα-helixtrans-64.9-50.1176.1177.9-91.6000111.5L70 L76 V81 I82 I83 K88 L89L70-Y85 HydrophobicContact CD1-CE1 3.83Å; L70-Y85 HydrophobicContact CD1-CE2 4.44Å; L70-Y85 WeakPolarHBondContact CD1-OH 3.26Å; L70-Y85 HydrophobicContact CD2-CE1 3.92Å; L76-Y85 HydrophobicContact CD1-CD1 3.53Å; L76-Y85 HydrophobicContact CD1-CD2 3.92Å; L76-Y85 HydrophobicContact CD1-CE1 3.92Å; L76-Y85 HydrophobicContact CD1-CE2 4.27Å; L76-Y85 HydrophobicContact CD1-CG 3.53Å; V81-Y85 WeakPolarHBondContact O-CB 3.38Å; V81-Y85 PolarHBondContact O-N 3Å; I82-Y85 WeakPolarHBondContact O-CB 3.22Å; I82-Y85 PolarHBondContact O-N 3.22Å; I83-Y85 VanDerWaalsContact C-N 3.3Å; I83-Y85 PolarHBondContact O-N 2.7Å; Y85-K88 PolarHBondContact O-N 3.05Å; Y85-L89 HydrophobicContact CE1-CD2 3.97Å; Y85-L89 WeakPolarHBondContact O-CB 3.39Å; Y85-L89 PolarHBondContact O-N 3.23Å
86I98.5Very high97.2Very high0 Ų052.1 Ų52.10%027%0.266CS..Hα-helixtrans-63-43.8177.2-63.1-61.5000110.9L17 I34 L35 Y38 L68 I82 I83 K88 L89 Y90L17-I86 HydrophobicContact CD1-CD1 4.1Å; I34-I86 HydrophobicContact CB-CG2 4.41Å; I34-I86 HydrophobicContact CG1-CB 4.03Å; I34-I86 HydrophobicContact CG1-CG2 3.73Å; I34-I86 HydrophobicContact CG2-CB 4.02Å; I34-I86 HydrophobicContact CG2-CG1 4.33Å; I34-I86 HydrophobicContact CG2-CG2 3.95Å; L35-I86 HydrophobicContact CD2-CD1 3.95Å; L35-I86 HydrophobicContact CD2-CG1 4.18Å; L35-I86 HydrophobicContact CD2-CG2 4.12Å; Y38-I86 HydrophobicContact CD2-CG2 4.13Å; L68-I86 HydrophobicContact CD2-CD1 3.89Å; L68-I86 HydrophobicContact CD2-CG1 4.27Å; I82-I86 HydrophobicContact CG2-CG1 4.4Å; I82-I86 WeakPolarHBondContact O-CG1 3.2Å; I82-I86 PolarHBondContact O-N 2.81Å; I83-I86 PolarHBondContact O-N 3.01Å; I86-K88 VanDerWaalsContact C-N 3.33Å; I86-K88 PolarHBondContact O-N 2.88Å; I86-L89 PolarHBondContact O-N 3.26Å; I86-L89 VanDerWaalsContact O-N 3.1Å; I86-Y90 HydrophobicContact CD1-CE2 4.13Å; I86-Y90 HydrophobicContact CG2-CD2 3.82Å; I86-Y90 HydrophobicContact CG2-CE2 4.28Å; I86-Y90 WeakPolarHBondContact O-CD2 3.29Å; I86-Y90 PolarHBondContact O-N 3.17Å
87D98.5Very high97.2Very high2 Ų254.2 Ų54.21%0.01128%0.283CS..Hα-helixtrans-56-46.4177.1-170.435.9000111.8I34 Y38 I83 L89 G91 T94 L95 L96 L158I34-D87 HydrophobicContact CD1-CB 4.23Å; Y38-D87 HydrophobicContact CE2-CB 4.47Å; Y38-D87 PolarHBondContact OH-OD1 2.98Å; I83-D87 WeakPolarHBondContact O-CB 3.46Å; I83-D87 PolarHBondContact O-N 3.04Å; D87-L89 PolarHBondContact O-N 3.01Å; D87-G91 WeakPolarHBondContact O-CA 3.49Å; D87-G91 PolarHBondContact O-N 3.42Å; D87-T94 WeakPolarHBondContact OD1-CA 3.43Å; D87-T94 WeakPolarHBondContact OD2-CB 3.46Å; D87-L95 WeakPolarHBondContact OD1-CB 3.35Å; D87-L95 PolarHBondContact OD1-N 3.34Å; D87-L95 PolarHBondContact OD2-N 2.89Å; D87-L96 VanDerWaalsContact OD2-CB 3.23Å; D87-L96 WeakPolarHBondContact OD2-CB 3.5Å; D87-L96 PolarHBondContact OD2-N 3.17Å; D87-L158 HydrophobicContact CB-CD1 4.29Å; D87-L158 HydrophobicContact CB-CD2 4.47Å
88K97.8Very high97.1Very high176 Ų17656.2 Ų56.277%0.76529%0.285SS*.Hα-helixtrans-67.4-34.1175.6-176.8177.4178-1780113.5R84 Y85 I86R84-K88 WeakPolarHBondContact O-CB 3.41Å; R84-K88 PolarHBondContact O-N 3.43Å; Y85-K88 PolarHBondContact O-N 3.05Å; I86-K88 VanDerWaalsContact C-N 3.33Å; I86-K88 PolarHBondContact O-N 2.88Å
89L96.7Very high97.1Very high94 Ų9452.8 Ų52.849%0.49227%0.27SS..Hα-helixtrans-75.6-38-175.3-177.659000112.4Y85 I86 D87Y85-L89 HydrophobicContact CE1-CD2 3.97Å; Y85-L89 WeakPolarHBondContact O-CB 3.39Å; Y85-L89 PolarHBondContact O-N 3.23Å; I86-L89 PolarHBondContact O-N 3.26Å; I86-L89 VanDerWaalsContact O-N 3.1Å; D87-L89 PolarHBondContact O-N 3.01Å
90Y96.7Very high97.1Very high102 Ų10254 Ų5440%0.428%0.284SS..Hα-helixtrans-111.8-15-173.1-63.6-81000114.4V40 I86V40-Y90 HydrophobicContact CG1-CE1 4.35Å; V40-Y90 HydrophobicContact CG1-CE2 4.03Å; V40-Y90 HydrophobicContact CG2-CD1 3.84Å; V40-Y90 HydrophobicContact CG2-CD2 3.72Å; V40-Y90 HydrophobicContact CG2-CE1 3.8Å; V40-Y90 HydrophobicContact CG2-CE2 3.67Å; V40-Y90 HydrophobicContact CG2-CG 3.8Å; I86-Y90 HydrophobicContact CD1-CE2 4.13Å; I86-Y90 HydrophobicContact CG2-CD2 3.82Å; I86-Y90 HydrophobicContact CG2-CE2 4.28Å; I86-Y90 WeakPolarHBondContact O-CD2 3.29Å; I86-Y90 PolarHBondContact O-N 3.17Å
91G93.9Very high97.1Very high14 Ų1457.2 Ų57.214%0.14430%0.3CS..  trans-86.7117.5179.500000113.4D87D87-G91 WeakPolarHBondContact O-CA 3.49Å; D87-G91 PolarHBondContact O-N 3.42Å
92S89.5Confident97.1Very high139 Ų13962.4 Ų62.497%0.97232%0.321SS*.SBendtrans-72-41165.2590000111.6
93E93.4Very high97.1Very high106 Ų10664.1 Ų64.150%0.49533%0.329SS..SBendtrans-113.3113.2158.4-176.3-161.1-158.200106.3R98E93-R98 IonicContact OE1-NE 3.84Å; E93-R98 IonicContact OE2-CZ 2.78Å; E93-R98 IonicContact OE2-NE 2.81Å; E93-R98 PolarHBondContact OE2-NE 3.18Å; E93-R98 VanDerWaalsContact OE2-NE 3.17Å; E93-R98 IonicContact OE2-NH2 3.68Å; E93-R98 PolarHBondContact OE2-NH2 3.29Å
94T97.6Very high97.1Very high32 Ų3264.1 Ų64.120%0.19633%0.329CS..  trans-73.2149.2-175.563.50000111.2D87 L96 S97 R98D87-T94 WeakPolarHBondContact OD1-CA 3.43Å; D87-T94 WeakPolarHBondContact OD2-CB 3.46Å; T94-L96 PolarHBondContact O-N 3.41Å; T94-S97 PolarHBondContact N-OG 3.33Å; T94-S97 PolarHBondContact O-N 3.06Å; T94-S97 PolarHBondContact O-OG 3.44Å; T94-S97 VanDerWaalsContact OG1-CB 3.28Å; T94-S97 WeakPolarHBondContact OG1-CB 3.21Å; T94-S97 PolarHBondContact OG1-N 3.09Å; T94-S97 PolarHBondContact OG1-OG 3Å; T94-R98 PolarHBondContact O-N 3.17Å
95L98.3Very high97.1Very high0 Ų064.4 Ų64.40%033%0.333CS..Hα-helixtrans-61.7-29.9169.8-72.7-175.3000111.6I34 Y37 D87 R98 V156 S157 L158 L161I34-L95 HydrophobicContact CD1-CD1 3.75Å; Y37-L95 HydrophobicContact CD1-CD1 3.8Å; Y37-L95 HydrophobicContact CD1-CG 4.22Å; Y37-L95 HydrophobicContact CD2-CD1 4.34Å; Y37-L95 HydrophobicContact CE1-CD1 3.86Å; Y37-L95 HydrophobicContact CE1-CD2 3.82Å; Y37-L95 HydrophobicContact CE1-CG 3.79Å; Y37-L95 HydrophobicContact CE2-CD1 4.4Å; Y37-L95 HydrophobicContact CE2-CD2 4.11Å; Y37-L95 HydrophobicContact CG-CD1 4.05Å; Y37-L95 WeakPolarHBondContact OH-CD2 3.49Å; D87-L95 WeakPolarHBondContact OD1-CB 3.35Å; D87-L95 PolarHBondContact OD1-N 3.34Å; D87-L95 PolarHBondContact OD2-N 2.89Å; L95-R98 PolarHBondContact O-N 3.24Å; L95-V156 HydrophobicContact CD2-CG1 4.23Å; L95-V156 WeakPolarHBondContact CD2-O 3.22Å; L95-S157 WeakPolarHBondContact O-CA 3.19Å; L95-L158 HydrophobicContact CB-CB 3.9Å; L95-L158 HydrophobicContact CB-CD1 4.24Å; L95-L158 PolarHBondContact O-N 2.91Å; L95-L158 VanDerWaalsContact O-N 3.08Å; L95-L161 HydrophobicContact CD1-CD1 4.23Å; L95-L161 HydrophobicContact CD1-CD2 4.27Å
96L98.4Very high97.1Very high39 Ų3964 Ų6420%0.20433%0.333CS..Hα-helixtrans-66.4-39.3173.6-177.660.2000112.3R84 D87 T94 R98 C99 G100 I101 F104 L158R84-L96 HydrophobicContact CG-CD2 4.4Å; D87-L96 VanDerWaalsContact OD2-CB 3.23Å; D87-L96 WeakPolarHBondContact OD2-CB 3.5Å; D87-L96 PolarHBondContact OD2-N 3.17Å; T94-L96 PolarHBondContact O-N 3.41Å; L96-R98 PolarHBondContact O-N 3.08Å; L96-C99 PolarHBondContact O-N 3.29Å; L96-C99 PolarHBondContact O-SG 2.82Å; L96-C99 VanDerWaalsContact O-SG 3.4Å; L96-G100 WeakPolarHBondContact O-CA 3.4Å; L96-G100 PolarHBondContact O-N 3.4Å; L96-I101 HydrophobicContact CD1-CD1 4.37Å; L96-F104 HydrophobicContact CD1-CB 3.64Å; L96-F104 HydrophobicContact CD1-CD1 4.37Å; L96-F104 HydrophobicContact CD1-CD2 4.08Å; L96-F104 HydrophobicContact CD1-CG 3.76Å; L96-L158 HydrophobicContact CB-CB 4.34Å; L96-L158 HydrophobicContact CB-CD2 3.96Å; L96-L158 HydrophobicContact CD1-CD2 4.32Å
97S97.6Very high97.1Very high72 Ų7264 Ų6450%0.50333%0.333SS..Hα-helixtrans-66.1-22.9178.450.50000113.1T94T94-S97 PolarHBondContact N-OG 3.33Å; T94-S97 PolarHBondContact O-N 3.06Å; T94-S97 PolarHBondContact O-OG 3.44Å; T94-S97 VanDerWaalsContact OG1-CB 3.28Å; T94-S97 WeakPolarHBondContact OG1-CB 3.21Å; T94-S97 PolarHBondContact OG1-N 3.09Å; T94-S97 PolarHBondContact OG1-OG 3Å
98R97.4Very high97.1Very high81 Ų8167.1 Ų67.131%0.30635%0.346SS..Hα-helixtrans-72.9-34.6176.7-65.4-179.5-178.2169.11.7113.7Y37 E93 T94 L95 L96 V156Y37-R98 PolarHBondContact OH-NH1 3.48Å; E93-R98 IonicContact OE1-NE 3.84Å; E93-R98 IonicContact OE2-CZ 2.78Å; E93-R98 IonicContact OE2-NE 2.81Å; E93-R98 PolarHBondContact OE2-NE 3.18Å; E93-R98 VanDerWaalsContact OE2-NE 3.17Å; E93-R98 IonicContact OE2-NH2 3.68Å; E93-R98 PolarHBondContact OE2-NH2 3.29Å; T94-R98 PolarHBondContact O-N 3.17Å; L95-R98 PolarHBondContact O-N 3.24Å; L96-R98 PolarHBondContact O-N 3.08Å; R98-V156 VanDerWaalsContact CD-O 3.22Å; R98-V156 WeakPolarHBondContact CD-O 3.4Å; R98-V156 PolarHBondContact NH1-O 3.05Å
99C97.8Very high97.1Very high15 Ų1565.4 Ų65.410%0.10134%0.341CS..Hα-helixtrans-97.6-24.1176.858.40000113.4L96 E103 T152 A159L96-C99 PolarHBondContact O-N 3.29Å; L96-C99 PolarHBondContact O-SG 2.82Å; L96-C99 VanDerWaalsContact O-SG 3.4Å; C99-E103 HydrophobicContact CB-CB 4.09Å; C99-E103 WeakPolarHBondContact O-CB 3.5Å; C99-E103 WeakPolarHBondContact O-CG 3.47Å; C99-T152 HydrophobicContact CB-CG2 3.49Å; C99-T152 VanDerWaalsContact CB-CG2 3.49Å; C99-A159 HydrophobicContact CB-CB 4.28Å
100G97.8Very high97.1Very high30 Ų3062.3 Ų62.331%0.30933%0.325SS..Hα-helixtrans73.5163.8-16600000112.3L96 E102 F104L96-G100 WeakPolarHBondContact O-CA 3.4Å; L96-G100 PolarHBondContact O-N 3.4Å; G100-E102 VanDerWaalsContact C-N 3.32Å; G100-E102 PolarHBondContact O-N 3.5Å; G100-F104 WeakPolarHBondContact O-CB 3.49Å; G100-F104 PolarHBondContact O-N 3.34Å
101I97.9Very high97.1Very high93 Ų9357.6 Ų57.648%0.47731%0.306SS..Hα-helixtrans-67.2-33-177.2-170.559.2000112.6L96 F104 E105L96-I101 HydrophobicContact CD1-CD1 4.37Å; I101-F104 HydrophobicContact CD1-CD1 4.08Å; I101-F104 PolarHBondContact O-N 3.28Å; I101-E105 HydrophobicContact CD1-CG 4.27Å; I101-E105 HydrophobicContact CG1-CG 4.38Å; I101-E105 WeakPolarHBondContact O-CG 3.48Å; I101-E105 PolarHBondContact O-N 3.44Å
102E98.4Very high97.2Very high167 Ų16761.3 Ų61.378%0.7833%0.326SS*.Hα-helixtrans-65.6-48.5-178.5-65.9180-178.700111.9G100 F104 E105 K106G100-E102 VanDerWaalsContact C-N 3.32Å; G100-E102 PolarHBondContact O-N 3.5Å; E102-F104 VanDerWaalsContact C-N 3.31Å; E102-F104 PolarHBondContact O-N 2.92Å; E102-E105 PolarHBondContact O-N 3.39Å; E102-K106 WeakPolarHBondContact O-CB 3.4Å; E102-K106 PolarHBondContact O-N 2.78Å
103E98.3Very high97.4Very high36 Ų3656.4 Ų56.417%0.16830%0.298CS..Hα-helixtrans-69.5-31.8177.2-65.6-70.7173.300111.7C99 K106 A107 K147 F151 T152C99-E103 HydrophobicContact CB-CB 4.09Å; C99-E103 WeakPolarHBondContact O-CB 3.5Å; C99-E103 WeakPolarHBondContact O-CG 3.47Å; E103-K106 PolarHBondContact O-N 3.39Å; E103-K106 WeakPolarHBondContact OE2-CD 3.44Å; E103-K106 IonicContact OE2-NZ 3.17Å; E103-A107 WeakPolarHBondContact O-CB 3.23Å; E103-A107 PolarHBondContact O-N 3.06Å; E103-K147 WeakPolarHBondContact OE1-CE 3.45Å; E103-K147 IonicContact OE1-NZ 3.79Å; E103-K147 PolarHBondContact OE1-NZ 3.39Å; E103-F151 HydrophobicContact CB-CE1 4.45Å; E103-F151 WeakPolarHBondContact O-CE1 3.45Å; E103-T152 HydrophobicContact CB-CG2 3.49Å; E103-T152 VanDerWaalsContact CB-CG2 3.49Å; E103-T152 HydrophobicContact CG-CG2 3.78Å
104F98.5Very high97.5Very high0 Ų051.4 Ų51.40%027%0.274CS..Hα-helixtrans-62.4-48.3172.7176-92.6000112.1D80 I83 R84 L96 G100 I101 E102 A107 K108 L158 I162D80-F104 HydrophobicContact CB-CZ 4.23Å; I83-F104 HydrophobicContact CD1-CE2 4.16Å; I83-F104 HydrophobicContact CD1-CZ 4.5Å; R84-F104 HydrophobicContact CG-CZ 4.22Å; L96-F104 HydrophobicContact CD1-CB 3.64Å; L96-F104 HydrophobicContact CD1-CD1 4.37Å; L96-F104 HydrophobicContact CD1-CD2 4.08Å; L96-F104 HydrophobicContact CD1-CG 3.76Å; G100-F104 WeakPolarHBondContact O-CB 3.49Å; G100-F104 PolarHBondContact O-N 3.34Å; I101-F104 HydrophobicContact CD1-CD1 4.08Å; I101-F104 PolarHBondContact O-N 3.28Å; E102-F104 VanDerWaalsContact C-N 3.31Å; E102-F104 PolarHBondContact O-N 2.92Å; F104-A107 PolarHBondContact O-N 3.08Å; F104-K108 PolarHBondContact O-N 3.07Å; F104-L158 HydrophobicContact CD2-CB 4.03Å; F104-L158 HydrophobicContact CD2-CD2 3.94Å; F104-L158 HydrophobicContact CD2-CG 4Å; F104-L158 HydrophobicContact CE2-CB 4.28Å; F104-L158 HydrophobicContact CE2-CD2 3.61Å; F104-L158 HydrophobicContact CE2-CG 3.73Å; F104-L158 HydrophobicContact CZ-CD2 4.37Å; F104-I162 HydrophobicContact CD2-CG1 4.15Å; F104-I162 HydrophobicContact CE2-CD1 3.93Å; F104-I162 HydrophobicContact CE2-CG1 3.43Å; F104-I162 VanDerWaalsContact CE2-CG1 3.43Å; F104-I162 HydrophobicContact CZ-CD1 3.94Å; F104-I162 HydrophobicContact CZ-CG1 3.92Å
105E98.3Very high97.4Very high71 Ų7150.7 Ų50.733%0.33227%0.271SS..Hα-helixtrans-67.8-35.4177.4-71.2-59.2146.500111.8I101 E102 K108 E109I101-E105 HydrophobicContact CD1-CG 4.27Å; I101-E105 HydrophobicContact CG1-CG 4.38Å; I101-E105 WeakPolarHBondContact O-CG 3.48Å; I101-E105 PolarHBondContact O-N 3.44Å; E102-E105 PolarHBondContact O-N 3.39Å; E105-K108 CarbonylContact O-C 3.3Å; E105-K108 WeakPolarHBondContact O-CB 3.27Å; E105-K108 PolarHBondContact O-N 3.48Å; E105-K108 IonicContact OE1-NZ 2.71Å; E105-K108 PolarHBondContact OE1-NZ 3.22Å; E105-K108 WeakPolarHBondContact OE2-CD 3.23Å; E105-K108 WeakPolarHBondContact OE2-CE 3.32Å; E105-K108 IonicContact OE2-NZ 3.99Å; E105-K108 PolarHBondContact OE2-NZ 2.81Å; E105-E109 PolarHBondContact O-N 3.09Å
106K98.4Very high97.3Very high76 Ų7658.4 Ų58.433%0.3330%0.3SS..Hα-helixtrans-60.7-45.4171.8-178.1-174.9172.5-167.20112.1E102 E103 K108 E109 L110 F151E102-K106 WeakPolarHBondContact O-CB 3.4Å; E102-K106 PolarHBondContact O-N 2.78Å; E103-K106 PolarHBondContact O-N 3.39Å; E103-K106 WeakPolarHBondContact OE2-CD 3.44Å; E103-K106 IonicContact OE2-NZ 3.17Å; K106-K108 VanDerWaalsContact C-N 3.27Å; K106-K108 PolarHBondContact O-N 3.43Å; K106-E109 PolarHBondContact O-N 2.78Å; K106-L110 HydrophobicContact CG-CD1 4.26Å; K106-L110 VanDerWaalsContact O-CG 3.32Å; K106-L110 WeakPolarHBondContact O-CG 3.33Å; K106-L110 PolarHBondContact O-N 3.37Å; K106-F151 HydrophobicContact CD-CZ 4.26Å; K106-F151 HydrophobicContact CG-CZ 4.32Å
107A98.4Very high97.3Very high0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-60.2-39.7175.300000111.9E103 F104 L110 I111 F151 A159 I162 L163E103-A107 WeakPolarHBondContact O-CB 3.23Å; E103-A107 PolarHBondContact O-N 3.06Å; F104-A107 PolarHBondContact O-N 3.08Å; A107-L110 PolarHBondContact O-N 2.71Å; A107-I111 PolarHBondContact O-N 3.39Å; A107-F151 HydrophobicContact CB-CD1 4.1Å; A107-F151 HydrophobicContact CB-CE1 3.74Å; A107-F151 HydrophobicContact CB-CZ 4.12Å; A107-A159 HydrophobicContact CB-CB 3.73Å; A107-I162 HydrophobicContact CB-CG2 4.36Å; A107-L163 HydrophobicContact CB-CD1 3.92Å; A107-L163 HydrophobicContact CB-CD2 4.32Å; A107-L163 HydrophobicContact CB-CG 3.95Å
108K97.6Very high97.3Very high66 Ų6653.5 Ų53.529%0.28727%0.269SS..Hα-helixtrans-67.4-38.3175.1177.8177.5142.8-151.70112.5F104 E105 K106 I111 T112 I162F104-K108 PolarHBondContact O-N 3.07Å; E105-K108 CarbonylContact O-C 3.3Å; E105-K108 WeakPolarHBondContact O-CB 3.27Å; E105-K108 PolarHBondContact O-N 3.48Å; E105-K108 IonicContact OE1-NZ 2.71Å; E105-K108 PolarHBondContact OE1-NZ 3.22Å; E105-K108 WeakPolarHBondContact OE2-CD 3.23Å; E105-K108 WeakPolarHBondContact OE2-CE 3.32Å; E105-K108 IonicContact OE2-NZ 3.99Å; E105-K108 PolarHBondContact OE2-NZ 2.81Å; K106-K108 VanDerWaalsContact C-N 3.27Å; K106-K108 PolarHBondContact O-N 3.43Å; K108-I111 WeakPolarHBondContact O-CG2 3.43Å; K108-T112 WeakPolarHBondContact O-CG2 3.4Å; K108-T112 PolarHBondContact O-N 3.23Å; K108-I162 HydrophobicContact CB-CG2 4.29Å
109E97.8Very high97.2Very high140 Ų14056 Ų5665%0.65428%0.279SS*.Hα-helixtrans-63.5-49.6173.4-173-175.7167.200110.5E105 K106 I111 T112E105-E109 PolarHBondContact O-N 3.09Å; K106-E109 PolarHBondContact O-N 2.78Å; E109-I111 VanDerWaalsContact C-N 3.31Å; E109-I111 PolarHBondContact O-N 3.21Å; E109-T112 WeakPolarHBondContact O-CB 3.49Å; E109-T112 PolarHBondContact O-N 2.97Å; E109-T112 VanDerWaalsContact O-N 3.08Å; E109-T112 PolarHBondContact O-OG1 2.97Å
110L98.2Very high97.2Very high30 Ų3057.5 Ų57.516%0.15729%0.285CS..Hα-helixtrans-56.6-43.4179.8-72.5168.9000112.6K106 A107 T112 G113 K141 I142 A145 F151 L163K106-L110 HydrophobicContact CG-CD1 4.26Å; K106-L110 VanDerWaalsContact O-CG 3.32Å; K106-L110 WeakPolarHBondContact O-CG 3.33Å; K106-L110 PolarHBondContact O-N 3.37Å; A107-L110 PolarHBondContact O-N 2.71Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 3.23Å; L110-G113 PolarHBondContact O-N 3.23Å; L110-K141 HydrophobicContact CD2-CB 3.85Å; L110-I142 HydrophobicContact CB-CD1 4.42Å; L110-I142 HydrophobicContact CB-CG1 3.81Å; L110-I142 HydrophobicContact CD1-CG1 4.39Å; L110-I142 HydrophobicContact CD2-CG1 4.3Å; L110-I142 HydrophobicContact CG-CG1 4.4Å; L110-A145 HydrophobicContact CD1-CB 3.72Å; L110-F151 HydrophobicContact CD1-CE2 3.72Å; L110-F151 HydrophobicContact CD1-CZ 3.74Å; L110-L163 HydrophobicContact CB-CD2 4.42Å
111I96.3Very high97.1Very high3 Ų356.1 Ų56.12%0.01527%0.271CS..Hα-helixtrans-71.9-21.2-179.2-151.268.9000113.5R30 A107 K108 E109 G113 I114 S115 I162 L163 H166R30-I111 VanDerWaalsContact NH2-CG2 3.28Å; A107-I111 PolarHBondContact O-N 3.39Å; K108-I111 WeakPolarHBondContact O-CG2 3.43Å; E109-I111 VanDerWaalsContact C-N 3.31Å; E109-I111 PolarHBondContact O-N 3.21Å; I111-G113 PolarHBondContact O-N 3.07Å; I111-I114 HydrophobicContact CD1-CG2 3.37Å; I111-I114 HydrophobicContact CG1-CG2 3.89Å; I111-I114 WeakPolarHBondContact O-CG2 3.43Å; I111-I114 PolarHBondContact O-N 3.36Å; I111-S115 PolarHBondContact O-N 2.99Å; I111-S115 PolarHBondContact O-OG 2.8Å; I111-I162 HydrophobicContact CB-CG2 4.38Å; I111-I162 HydrophobicContact CG2-CG2 3.82Å; I111-L163 HydrophobicContact CB-CD2 4.24Å; I111-L163 HydrophobicContact CD1-CD2 3.99Å; I111-H166 HydrophobicContact CD1-CB 3.48Å; I111-H166 VanDerWaalsContact CD1-CB 3.48Å; I111-H166 HydrophobicContact CG1-CB 3.92Å; I111-H166 WeakPolarHBondContact CG1-ND1 3.33Å
112T94.8Very high97Very high92 Ų9252.6 Ų52.656%0.56425%0.252SS*.Hα-helixtrans-64.1-34.317365.70000111.2K108 E109 L110 I114K108-T112 WeakPolarHBondContact O-CG2 3.4Å; K108-T112 PolarHBondContact O-N 3.23Å; E109-T112 WeakPolarHBondContact O-CB 3.49Å; E109-T112 PolarHBondContact O-N 2.97Å; E109-T112 VanDerWaalsContact O-N 3.08Å; E109-T112 PolarHBondContact O-OG1 2.97Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 3.23Å; T112-I114 VanDerWaalsContact C-N 3.28Å; T112-I114 PolarHBondContact O-N 2.98Å
113G94.2Very high96.7Very high36 Ų3645.4 Ų45.437%0.37122%0.221SC..Hα-helixtrans-67.7-22.8178.400000114.6L110 I111 P117L110-G113 PolarHBondContact O-N 3.23Å; I111-G113 PolarHBondContact O-N 3.07Å; G113-P117 WeakPolarHBondContact O-CD 3.11Å; G113-P117 WeakPolarHBondContact O-CG 3.43Å
114I96.1Very high96.6Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-102.6-25-176.2-157175.9000113.2I111 T112 R116 S118 Y135 A138 I142 H166 L167I111-I114 HydrophobicContact CD1-CG2 3.37Å; I111-I114 HydrophobicContact CG1-CG2 3.89Å; I111-I114 WeakPolarHBondContact O-CG2 3.43Å; I111-I114 PolarHBondContact O-N 3.36Å; T112-I114 VanDerWaalsContact C-N 3.28Å; T112-I114 PolarHBondContact O-N 2.98Å; I114-R116 PolarHBondContact O-N 2.94Å; I114-S118 WeakPolarHBondContact O-CB 3.47Å; I114-S118 PolarHBondContact O-N 2.65Å; I114-Y135 HydrophobicContact CD1-CD2 4.17Å; I114-Y135 HydrophobicContact CD1-CE2 3.56Å; I114-Y135 HydrophobicContact CG1-CD2 3.44Å; I114-Y135 VanDerWaalsContact CG1-CD2 3.44Å; I114-Y135 HydrophobicContact CG1-CE2 3.23Å; I114-A138 HydrophobicContact CB-CB 4.03Å; I114-A138 HydrophobicContact CG1-CB 4.38Å; I114-I142 HydrophobicContact CD1-CD1 4.24Å; I114-H166 HydrophobicContact CG2-CB 4.05Å; I114-L167 HydrophobicContact CD1-CD2 3.71Å
115S94.8Very high96.2Very high18 Ų1850.7 Ų50.713%0.12626%0.257CS..Hα-helixtrans-58.9-53-171.6-610000112.9Y27 I111 Y119 H166Y27-S115 WeakPolarHBondContact OH-CB 3.29Å; Y27-S115 PolarHBondContact OH-OG 3.36Å; I111-S115 PolarHBondContact O-N 2.99Å; I111-S115 PolarHBondContact O-OG 2.8Å; S115-Y119 PolarHBondContact O-N 3.31Å; S115-H166 PolarHBondContact OG-NE2 3.41Å
116R96.7Very high96Very high161 Ų16155.5 Ų55.561%0.60828%0.28SS*.Hα-helixtrans-69.1-53179.9169.4-167172.9112.63.4112I114 S118 Y119 M120I114-R116 PolarHBondContact O-N 2.94Å; R116-S118 VanDerWaalsContact C-N 3.27Å; R116-S118 PolarHBondContact O-N 3.12Å; R116-Y119 PolarHBondContact O-N 3.29Å; R116-Y119 VanDerWaalsContact O-N 3.12Å; R116-M120 HydrophobicContact CG-CE 4.12Å; R116-M120 HydrophobicContact CG-CG 4.23Å; R116-M120 WeakPolarHBondContact O-CG 3.43Å; R116-M120 PolarHBondContact O-N 3.24Å
117P97.7Very high95.9Very high6 Ų654.8 Ų54.84%0.03928%0.278CS..Hα-helixtrans-57.9-39.8-179.3-28.537.3000113G113 Y119 M120 I121 D131 L134 Y135G113-P117 WeakPolarHBondContact O-CD 3.11Å; G113-P117 WeakPolarHBondContact O-CG 3.43Å; P117-Y119 PolarHBondContact O-N 3.42Å; P117-M120 PolarHBondContact O-N 3.44Å; P117-I121 WeakPolarHBondContact O-CD1 3.28Å; P117-I121 VanDerWaalsContact O-CG1 3.25Å; P117-I121 WeakPolarHBondContact O-CG1 3.48Å; P117-I121 PolarHBondContact O-N 3.34Å; P117-D131 HydrophobicContact CB-CB 4.43Å; P117-D131 WeakPolarHBondContact CB-O 3.45Å; P117-L134 HydrophobicContact CB-CB 4.33Å; P117-L134 HydrophobicContact CG-CB 3.79Å; P117-Y135 HydrophobicContact CB-CD2 4.39Å
118S97.5Very high95.8Very high3 Ų359.1 Ų59.12%0.02130%0.302CS..Hα-helixtrans-57-48.7174.8179.60000111.7I114 R116 I121 M122 V173I114-S118 WeakPolarHBondContact O-CB 3.47Å; I114-S118 PolarHBondContact O-N 2.65Å; R116-S118 VanDerWaalsContact C-N 3.27Å; R116-S118 PolarHBondContact O-N 3.12Å; S118-I121 PolarHBondContact O-N 2.84Å; S118-M122 WeakPolarHBondContact O-CB 3.4Å; S118-M122 WeakPolarHBondContact O-CE 3.43Å; S118-M122 WeakPolarHBondContact O-CG 3.16Å; S118-M122 PolarHBondContact O-N 3.46Å; S118-M122 WeakPolarHBondContact OG-CE 3.46Å; S118-V173 WeakPolarHBondContact OG-CG2 3.49Å
119Y95.6Very high95.7Very high133 Ų13362.9 Ų62.952%0.52232%0.324SS..Hα-helixtrans-62.1-45.1177.8177.2-94.7000112.3S115 R116 P117 I121 M122 C123S115-Y119 PolarHBondContact O-N 3.31Å; R116-Y119 PolarHBondContact O-N 3.29Å; R116-Y119 VanDerWaalsContact O-N 3.12Å; P117-Y119 PolarHBondContact O-N 3.42Å; Y119-I121 VanDerWaalsContact C-N 3.34Å; Y119-I121 PolarHBondContact O-N 2.74Å; Y119-M122 PolarHBondContact O-N 2.72Å; Y119-C123 HydrophobicContact CD2-CB 4.15Å; Y119-C123 HydrophobicContact CE1-CB 4.4Å; Y119-C123 HydrophobicContact CE2-CB 3.82Å; Y119-C123 WeakPolarHBondContact O-CB 3.49Å; Y119-C123 PolarHBondContact O-N 3.5Å
120M97.3Very high95.7Very high46 Ų4659.4 Ų59.423%0.22732%0.315CS..Hα-helixtrans-60.2-45.6179.8-65.1-56.5167.800111.1R116 P117 V124 D131R116-M120 HydrophobicContact CG-CE 4.12Å; R116-M120 HydrophobicContact CG-CG 4.23Å; R116-M120 WeakPolarHBondContact O-CG 3.43Å; R116-M120 PolarHBondContact O-N 3.24Å; P117-M120 PolarHBondContact O-N 3.44Å; M120-V124 WeakPolarHBondContact O-CB 3.38Å; M120-V124 WeakPolarHBondContact O-CG2 3.39Å; M120-V124 PolarHBondContact O-N 3.42Å; M120-V124 VanDerWaalsContact O-N 3.11Å; M120-V124 HydrophobicContact SD-CG2 3.89Å; M120-D131 HydrophobicContact CB-CB 4.27Å
121I97.6Very high95.7Very high1 Ų158.9 Ų58.91%0.00531%0.312CS..Hα-helixtrans-67.3-40.1-179.8-65.1162000112P117 S118 Y119 I127 D131 V132 Y135 V173 R176 I177P117-I121 WeakPolarHBondContact O-CD1 3.28Å; P117-I121 VanDerWaalsContact O-CG1 3.25Å; P117-I121 WeakPolarHBondContact O-CG1 3.48Å; P117-I121 PolarHBondContact O-N 3.34Å; S118-I121 PolarHBondContact O-N 2.84Å; Y119-I121 VanDerWaalsContact C-N 3.34Å; Y119-I121 PolarHBondContact O-N 2.74Å; I121-I127 HydrophobicContact CG1-CG2 4.43Å; I121-I127 HydrophobicContact CG2-CD1 4.42Å; I121-D131 HydrophobicContact CG1-CB 4.26Å; I121-V132 HydrophobicContact CD1-CG2 4.38Å; I121-Y135 HydrophobicContact CD1-CG 4.08Å; I121-V173 HydrophobicContact CB-CG1 4.06Å; I121-V173 HydrophobicContact CD1-CG1 3.85Å; I121-V173 HydrophobicContact CG2-CG1 3.76Å; I121-R176 HydrophobicContact CG2-CB 3.89Å; I121-R176 PolarHBondContact O-NH1 2.69Å; I121-R176 PolarHBondContact O-NH2 3Å; I121-I177 HydrophobicContact CD1-CD1 4.17Å; I121-I177 HydrophobicContact CD1-CG1 4.33Å; I121-I177 HydrophobicContact CG2-CG1 3.91Å
122M95.3Very high95.8Very high19 Ų1959.6 Ų59.69%0.09432%0.317CS..Hα-helixtrans-78.1-37.2-177.5-69.7-174.7-54.800113.5S118 Y119 R169 V172 V173 R176 A228S118-M122 WeakPolarHBondContact O-CB 3.4Å; S118-M122 WeakPolarHBondContact O-CE 3.43Å; S118-M122 WeakPolarHBondContact O-CG 3.16Å; S118-M122 PolarHBondContact O-N 3.46Å; S118-M122 WeakPolarHBondContact OG-CE 3.46Å; Y119-M122 PolarHBondContact O-N 2.72Å; M122-R169 HydrophobicContact SD-CB 4.04Å; M122-R169 HydrophobicContact SD-CG 4.48Å; M122-V172 HydrophobicContact CG-CG1 4.18Å; M122-V172 HydrophobicContact SD-CB 4.39Å; M122-V172 HydrophobicContact SD-CG1 3.96Å; M122-V173 HydrophobicContact CG-CG2 3.72Å; M122-V173 HydrophobicContact SD-CG2 3.75Å; M122-R176 PolarHBondContact O-NH1 3.31Å; M122-A228 HydrophobicContact CB-CB 4.37Å
123C92.6Very high95.9Very high17 Ų1758.5 Ų58.512%0.11531%0.312CS..Hα-helixtrans-114.1-7.8-164.4-63.60000114.1Y119 V231Y119-C123 HydrophobicContact CD2-CB 4.15Å; Y119-C123 HydrophobicContact CE1-CB 4.4Å; Y119-C123 HydrophobicContact CE2-CB 3.82Å; Y119-C123 WeakPolarHBondContact O-CB 3.49Å; Y119-C123 PolarHBondContact O-N 3.5Å; C123-V231 HydrophobicContact CB-CG1 4.05Å
124V94.3Very high96.1Very high52 Ų5260.9 Ų60.932%0.31532%0.316SS..  trans-100.6135.5174.4-175.10000109.4M120 R176 L232M120-V124 WeakPolarHBondContact O-CB 3.38Å; M120-V124 WeakPolarHBondContact O-CG2 3.39Å; M120-V124 PolarHBondContact O-N 3.42Å; M120-V124 VanDerWaalsContact O-N 3.11Å; M120-V124 HydrophobicContact SD-CG2 3.89Å; V124-R176 PolarHBondContact O-NH2 2.96Å; V124-R176 VanDerWaalsContact O-NH2 3.14Å; V124-L232 VanDerWaalsContact C-CD2 3.48Å; V124-L232 WeakPolarHBondContact O-CD2 3.26Å
125P91.9Very high96.2Very high95 Ų9560.9 Ų60.962%0.61732%0.316SS*.SBendtrans-58.1-47.7177.4-28.436.6000113.9L232P125-L232 HydrophobicContact CG-CD2 4.28Å
126E93.6Very high96.4Very high172 Ų17263.6 Ų63.680%0.80432%0.324SS*.SBendtrans-90121.6178-67.2-179-172.300110.9
127I95Very high96.5Very high60 Ų6058.3 Ų58.331%0.30832%0.315SS..PPolyproline II helixtrans-84.9120.3177.2-61.8175.8000109.2I121 V132 R176I121-I127 HydrophobicContact CG1-CG2 4.43Å; I121-I127 HydrophobicContact CG2-CD1 4.42Å; I127-V132 HydrophobicContact CG2-CG2 3.38Å; I127-R176 HydrophobicContact CD1-CB 4.4Å; I127-R176 VanDerWaalsContact CD1-O 3.28Å; I127-R176 WeakPolarHBondContact CD1-O 3.2Å
128N96.3Very high96.5Very high92 Ų9258.5 Ų58.549%0.49232%0.317SS..PPolyproline II helixtrans-82.6127.1171.7-172.3-27.1000110.5C130 D131 V132N128-C130 PolarHBondContact O-N 3.19Å; N128-C130 VanDerWaalsContact O-N 3.16Å; N128-C130 VanDerWaalsContact OD1-CB 3.24Å; N128-C130 WeakPolarHBondContact OD1-CB 3.32Å; N128-C130 PolarHBondContact OD1-N 3.18Å; N128-D131 HydrophobicContact CB-CB 4.49Å; N128-D131 WeakPolarHBondContact CB-OD2 3.4Å; N128-D131 PolarHBondContact O-N 3.08Å; N128-V132 PolarHBondContact O-N 3.32Å; N128-V132 VanDerWaalsContact O-N 3.15Å
129L96.3Very high96.6Very high144 Ų14458.3 Ų58.375%0.75432%0.316SS*.Hα-helixtrans-58.5-27.2177.2-65.7178000113.3V132 S133L129-V132 PolarHBondContact O-N 3.4Å; L129-S133 PolarHBondContact O-N 3.09Å; L129-S133 PolarHBondContact O-OG 3.17Å
130C97.6Very high96.7Very high67 Ų6754.4 Ų54.445%0.45331%0.307SS..Hα-helixtrans-66-42.1172.7-170.90000111.9N128 V132 S133 L134N128-C130 PolarHBondContact O-N 3.19Å; N128-C130 VanDerWaalsContact O-N 3.16Å; N128-C130 VanDerWaalsContact OD1-CB 3.24Å; N128-C130 WeakPolarHBondContact OD1-CB 3.32Å; N128-C130 PolarHBondContact OD1-N 3.18Å; C130-V132 VanDerWaalsContact C-N 3.3Å; C130-V132 PolarHBondContact O-N 3.19Å; C130-S133 PolarHBondContact O-N 3.37Å; C130-S133 PolarHBondContact O-OG 2.72Å; C130-L134 WeakPolarHBondContact O-CB 3.36Å; C130-L134 VanDerWaalsContact O-CG 3.23Å; C130-L134 WeakPolarHBondContact O-CG 3.5Å; C130-L134 PolarHBondContact O-N 3.39Å
131D97.9Very high96.8Very high20 Ų2058.8 Ų58.811%0.10733%0.325CS..Hα-helixtrans-67.1-36.1175.7-70.4-55.4000110.7P117 M120 I121 N128 L134 Y135P117-D131 HydrophobicContact CB-CB 4.43Å; P117-D131 WeakPolarHBondContact CB-O 3.45Å; M120-D131 HydrophobicContact CB-CB 4.27Å; I121-D131 HydrophobicContact CG1-CB 4.26Å; N128-D131 HydrophobicContact CB-CB 4.49Å; N128-D131 WeakPolarHBondContact CB-OD2 3.4Å; N128-D131 PolarHBondContact O-N 3.08Å; D131-L134 PolarHBondContact O-N 3.29Å; D131-Y135 VanDerWaalsContact O-CB 3.3Å; D131-Y135 WeakPolarHBondContact O-CB 3.49Å; D131-Y135 PolarHBondContact O-N 3.22Å
132V98.2Very high96.8Very high18 Ų1858.8 Ų58.811%0.10933%0.325CS..Hα-helixtrans-61-48173.9177.80000111.5I121 I127 N128 L129 C130 Y135 R136 I177I121-V132 HydrophobicContact CD1-CG2 4.38Å; I127-V132 HydrophobicContact CG2-CG2 3.38Å; N128-V132 PolarHBondContact O-N 3.32Å; N128-V132 VanDerWaalsContact O-N 3.15Å; L129-V132 PolarHBondContact O-N 3.4Å; C130-V132 VanDerWaalsContact C-N 3.3Å; C130-V132 PolarHBondContact O-N 3.19Å; V132-Y135 PolarHBondContact O-N 3.4Å; V132-R136 WeakPolarHBondContact O-CG 3.27Å; V132-R136 PolarHBondContact O-N 3.05Å; V132-I177 HydrophobicContact CG1-CD1 4.1Å; V132-I177 HydrophobicContact CG1-CG1 4.26Å; V132-I177 HydrophobicContact CG1-CG2 3.85Å; V132-I177 HydrophobicContact CG2-CG1 4.14Å
133S98.3Very high97Very high68 Ų6858.4 Ų58.448%0.47632%0.324SS..Hα-helixtrans-66.3-41.4-179.866.40000111.9L129 C130 R136 A137L129-S133 PolarHBondContact O-N 3.09Å; L129-S133 PolarHBondContact O-OG 3.17Å; C130-S133 PolarHBondContact O-N 3.37Å; C130-S133 PolarHBondContact O-OG 2.72Å; S133-R136 PolarHBondContact O-N 3.49Å; S133-A137 VanDerWaalsContact O-CB 3.26Å; S133-A137 WeakPolarHBondContact O-CB 3.36Å; S133-A137 PolarHBondContact O-N 2.82Å
134L98.3Very high97.3Very high87 Ų8762.6 Ų62.646%0.45535%0.345SS..Hα-helixtrans-61.1-45.5174.5-72.3172.4000112P117 C130 D131 A137 A138P117-L134 HydrophobicContact CB-CB 4.33Å; P117-L134 HydrophobicContact CG-CB 3.79Å; C130-L134 WeakPolarHBondContact O-CB 3.36Å; C130-L134 VanDerWaalsContact O-CG 3.23Å; C130-L134 WeakPolarHBondContact O-CG 3.5Å; C130-L134 PolarHBondContact O-N 3.39Å; D131-L134 PolarHBondContact O-N 3.29Å; L134-A137 PolarHBondContact O-N 3.23Å; L134-A138 WeakPolarHBondContact O-CB 3.29Å; L134-A138 PolarHBondContact O-N 2.91Å
135Y98.4Very high97.4Very high0 Ų060.9 Ų60.90%034%0.336CS..Hα-helixtrans-60.8-50.3178.2-176.8-99.5000111.5I114 P117 I121 D131 V132 A137 A138 C139 F170 V173 M174 I177I114-Y135 HydrophobicContact CD1-CD2 4.17Å; I114-Y135 HydrophobicContact CD1-CE2 3.56Å; I114-Y135 HydrophobicContact CG1-CD2 3.44Å; I114-Y135 VanDerWaalsContact CG1-CD2 3.44Å; I114-Y135 HydrophobicContact CG1-CE2 3.23Å; P117-Y135 HydrophobicContact CB-CD2 4.39Å; I121-Y135 HydrophobicContact CD1-CG 4.08Å; D131-Y135 VanDerWaalsContact O-CB 3.3Å; D131-Y135 WeakPolarHBondContact O-CB 3.49Å; D131-Y135 PolarHBondContact O-N 3.22Å; V132-Y135 PolarHBondContact O-N 3.4Å; Y135-A137 PolarHBondContact O-N 3.06Å; Y135-A138 PolarHBondContact O-N 2.96Å; Y135-C139 VanDerWaalsContact CE1-SG 3.55Å; Y135-C139 PolarHBondContact O-N 3.47Å; Y135-C139 PolarHBondContact O-SG 3.4Å; Y135-C139 VanDerWaalsContact O-SG 3.41Å; Y135-F170 HydrophobicContact CE1-CD2 4.44Å; Y135-V173 HydrophobicContact CD1-CG1 3.66Å; Y135-V173 HydrophobicContact CD2-CG1 3.98Å; Y135-V173 HydrophobicContact CE1-CB 3.88Å; Y135-V173 HydrophobicContact CE1-CG1 3.39Å; Y135-V173 HydrophobicContact CE2-CB 4.16Å; Y135-V173 HydrophobicContact CE2-CG1 3.73Å; Y135-V173 HydrophobicContact CE2-CG2 4.01Å; Y135-V173 HydrophobicContact CG-CG1 3.96Å; Y135-V173 VanDerWaalsContact CZ-CG1 3.45Å; Y135-M174 HydrophobicContact CD1-CE 4.22Å; Y135-M174 HydrophobicContact CE1-CE 3.82Å; Y135-M174 HydrophobicContact CE1-CG 4.5Å; Y135-M174 HydrophobicContact CE1-SD 4.18Å; Y135-I177 HydrophobicContact CD1-CD1 4.19Å
136R98.3Very high97.8Very high74 Ų7456.5 Ų56.528%0.27931%0.307SS..Hα-helixtrans-64.1-40.5-179.9-67.9-179.770.384.5-7.2112.3V132 S133 A138 C139 S140 M174 E197V132-R136 WeakPolarHBondContact O-CG 3.27Å; V132-R136 PolarHBondContact O-N 3.05Å; S133-R136 PolarHBondContact O-N 3.49Å; R136-A138 VanDerWaalsContact C-N 3.34Å; R136-A138 PolarHBondContact O-N 3.47Å; R136-C139 PolarHBondContact O-N 2.61Å; R136-S140 PolarHBondContact O-N 3.34Å; R136-M174 HydrophobicContact CG-CE 4.31Å; R136-E197 IonicContact CZ-OE1 2.69Å; R136-E197 IonicContact CZ-OE2 2.61Å; R136-E197 IonicContact NE-OE1 3.67Å; R136-E197 IonicContact NH1-OE2 3.54Å; R136-E197 IonicContact NH2-OE1 2.68Å; R136-E197 PolarHBondContact NH2-OE1 3.41Å; R136-E197 IonicContact NH2-OE2 3.99Å; R136-E197 PolarHBondContact NH2-OE2 3.43Å
137A98.3Very high98Very high51 Ų5153.8 Ų53.842%0.42129%0.293SS..Hα-helixtrans-62.9-39.8174.500000111.9S133 L134 Y135 S140 K141S133-A137 VanDerWaalsContact O-CB 3.26Å; S133-A137 WeakPolarHBondContact O-CB 3.36Å; S133-A137 PolarHBondContact O-N 2.82Å; L134-A137 PolarHBondContact O-N 3.23Å; Y135-A137 PolarHBondContact O-N 3.06Å; A137-S140 PolarHBondContact O-N 2.99Å; A137-K141 WeakPolarHBondContact O-CG 3.22Å; A137-K141 PolarHBondContact O-N 3.13Å
138A98.4Very high97.9Very high9 Ų952.3 Ų52.37%0.07429%0.292CS..Hα-helixtrans-65.5-42.7174.300000112I114 L134 Y135 R136 S140 K141 I142I114-A138 HydrophobicContact CB-CB 4.03Å; I114-A138 HydrophobicContact CG1-CB 4.38Å; L134-A138 WeakPolarHBondContact O-CB 3.29Å; L134-A138 PolarHBondContact O-N 2.91Å; Y135-A138 PolarHBondContact O-N 2.96Å; R136-A138 VanDerWaalsContact C-N 3.34Å; R136-A138 PolarHBondContact O-N 3.47Å; A138-S140 VanDerWaalsContact C-N 3.33Å; A138-S140 PolarHBondContact O-N 2.92Å; A138-K141 PolarHBondContact O-N 3.2Å; A138-I142 WeakPolarHBondContact O-CG1 3.47Å; A138-I142 PolarHBondContact O-N 3.22Å
139C98.6Very high98Very high0 Ų049.9 Ų49.90%028%0.282CS..Hα-helixtrans-58.8-42.7173.3-71.40000112.2Y135 R136 I142 N143 F170 F198 L201Y135-C139 VanDerWaalsContact CE1-SG 3.55Å; Y135-C139 PolarHBondContact O-N 3.47Å; Y135-C139 PolarHBondContact O-SG 3.4Å; Y135-C139 VanDerWaalsContact O-SG 3.41Å; R136-C139 PolarHBondContact O-N 2.61Å; C139-I142 PolarHBondContact O-N 3.28Å; C139-N143 VanDerWaalsContact O-CB 3.26Å; C139-N143 WeakPolarHBondContact O-CB 3.47Å; C139-N143 PolarHBondContact O-N 2.87Å; C139-F170 HydrophobicContact CB-CE2 4.41Å; C139-F198 HydrophobicContact CB-CD1 3.84Å; C139-F198 HydrophobicContact CB-CE1 3.52Å; C139-F198 HydrophobicContact CB-CZ 4.05Å; C139-L201 HydrophobicContact CB-CD1 3.97Å
140S98.5Very high98.1Very high50 Ų5044 Ų4435%0.3525%0.25SC..Hα-helixtrans-63.4-46.5176.61650000111.6R136 A137 A138 I142 N143 D144R136-S140 PolarHBondContact O-N 3.34Å; A137-S140 PolarHBondContact O-N 2.99Å; A138-S140 VanDerWaalsContact C-N 3.33Å; A138-S140 PolarHBondContact O-N 2.92Å; S140-I142 VanDerWaalsContact C-N 3.31Å; S140-I142 PolarHBondContact O-N 3.41Å; S140-N143 WeakPolarHBondContact O-CB 3.3Å; S140-N143 PolarHBondContact O-N 2.99Å; S140-D144 VanDerWaalsContact O-CG 3.25Å; S140-D144 PolarHBondContact O-N 3.39Å
141K98.6Very high98.2Very high139 Ų13940.8 Ų40.860%0.60423%0.228SC*.Hα-helixtrans-59.1-41.7175.6-71.6177.9179.8-176.40112.7L110 A137 A138 A145L110-K141 HydrophobicContact CD2-CB 3.85Å; A137-K141 WeakPolarHBondContact O-CG 3.22Å; A137-K141 PolarHBondContact O-N 3.13Å; A138-K141 PolarHBondContact O-N 3.2Å; K141-A145 VanDerWaalsContact O-CB 3.28Å; K141-A145 WeakPolarHBondContact O-CB 3.5Å; K141-A145 PolarHBondContact O-N 2.91Å; K141-A145 VanDerWaalsContact O-N 3.1Å
142I98.6Very high98.2Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-65.8-47.3176.7-71.8167.9000110.4L110 I114 A138 C139 S140 D144 A145 I146 L163 L167 L201L110-I142 HydrophobicContact CB-CD1 4.42Å; L110-I142 HydrophobicContact CB-CG1 3.81Å; L110-I142 HydrophobicContact CD1-CG1 4.39Å; L110-I142 HydrophobicContact CD2-CG1 4.3Å; L110-I142 HydrophobicContact CG-CG1 4.4Å; I114-I142 HydrophobicContact CD1-CD1 4.24Å; A138-I142 WeakPolarHBondContact O-CG1 3.47Å; A138-I142 PolarHBondContact O-N 3.22Å; C139-I142 PolarHBondContact O-N 3.28Å; S140-I142 VanDerWaalsContact C-N 3.31Å; S140-I142 PolarHBondContact O-N 3.41Å; I142-D144 VanDerWaalsContact C-N 3.29Å; I142-D144 PolarHBondContact O-N 3.1Å; I142-A145 PolarHBondContact O-N 3.41Å; I142-A145 VanDerWaalsContact O-N 3.17Å; I142-I146 HydrophobicContact CG2-CD1 3.96Å; I142-I146 HydrophobicContact CG2-CG1 4.46Å; I142-I146 WeakPolarHBondContact O-CG1 3.42Å; I142-I146 PolarHBondContact O-N 2.9Å; I142-I146 VanDerWaalsContact O-N 3.09Å; I142-L163 HydrophobicContact CD1-CD2 4.38Å; I142-L163 HydrophobicContact CG1-CD2 4.49Å; I142-L167 HydrophobicContact CD1-CD2 4.04Å; I142-L167 HydrophobicContact CG2-CD1 3.92Å; I142-L167 HydrophobicContact CG2-CD2 4.36Å; I142-L201 HydrophobicContact CG2-CD1 4.27Å
143N98.6Very high98.1Very high12 Ų1240.5 Ų40.56%0.06423%0.229CC..Hα-helixtrans-53.3-48177179.482.2000111.4C139 S140 A145 I146 F198 S199 K200 L201C139-N143 VanDerWaalsContact O-CB 3.26Å; C139-N143 WeakPolarHBondContact O-CB 3.47Å; C139-N143 PolarHBondContact O-N 2.87Å; S140-N143 WeakPolarHBondContact O-CB 3.3Å; S140-N143 PolarHBondContact O-N 2.99Å; N143-A145 VanDerWaalsContact C-N 3.32Å; N143-A145 PolarHBondContact O-N 2.66Å; N143-I146 PolarHBondContact O-N 3.36Å; N143-F198 HydrophobicContact CB-CD1 4.41Å; N143-F198 WeakPolarHBondContact OD1-CA 3.37Å; N143-S199 PolarHBondContact OD1-N 3.42Å; N143-K200 WeakPolarHBondContact O-CB 3.37Å; N143-K200 WeakPolarHBondContact O-CD 3.34Å; N143-K200 WeakPolarHBondContact OD1-CB 3.07Å; N143-K200 PolarHBondContact OD1-N 2.98Å; N143-L201 HydrophobicContact CB-CB 4.17Å; N143-L201 PolarHBondContact OD1-N 2.89Å; N143-L201 VanDerWaalsContact OD1-N 3.12Å
144D98.5Very high98.1Very high104 Ų10442 Ų4256%0.55624%0.237SC*.Hα-helixtrans-69.3-33.3-178-62.8-15.9000112.2S140 I142S140-D144 VanDerWaalsContact O-CG 3.25Å; S140-D144 PolarHBondContact O-N 3.39Å; I142-D144 VanDerWaalsContact C-N 3.29Å; I142-D144 PolarHBondContact O-N 3.1Å
145A98.4Very high98Very high16 Ų1642.7 Ų42.713%0.13224%0.241CC..Hα-helixtrans-74.8-23.5179.800000114.3L110 K141 I142 N143 K147 F151L110-A145 HydrophobicContact CD1-CB 3.72Å; K141-A145 VanDerWaalsContact O-CB 3.28Å; K141-A145 WeakPolarHBondContact O-CB 3.5Å; K141-A145 PolarHBondContact O-N 2.91Å; K141-A145 VanDerWaalsContact O-N 3.1Å; I142-A145 PolarHBondContact O-N 3.41Å; I142-A145 VanDerWaalsContact O-N 3.17Å; N143-A145 VanDerWaalsContact C-N 3.32Å; N143-A145 PolarHBondContact O-N 2.66Å; A145-K147 PolarHBondContact O-N 3.44Å; A145-F151 HydrophobicContact CB-CE2 3.85Å; A145-F151 HydrophobicContact CB-CZ 4.32Å
146I98.7Very high98Very high3 Ų343.2 Ų43.22%0.01524%0.244CC..  trans-65.7127.2178.6-71.8160.4000110.1I142 N143 F151 K200 L201 F204I142-I146 HydrophobicContact CG2-CD1 3.96Å; I142-I146 HydrophobicContact CG2-CG1 4.46Å; I142-I146 WeakPolarHBondContact O-CG1 3.42Å; I142-I146 PolarHBondContact O-N 2.9Å; I142-I146 VanDerWaalsContact O-N 3.09Å; N143-I146 PolarHBondContact O-N 3.36Å; I146-F151 HydrophobicContact CG1-CD2 3.95Å; I146-K200 HydrophobicContact CB-CB 4.08Å; I146-K200 HydrophobicContact CG2-CB 4.03Å; I146-K200 WeakPolarHBondContact O-CD 3.33Å; I146-K200 PolarHBondContact O-NZ 3.06Å; I146-L201 HydrophobicContact CD1-CB 4.27Å; I146-F204 HydrophobicContact CD1-CB 3.93Å; I146-F204 HydrophobicContact CD1-CG 4.23Å
147K98.3Very high98.1Very high115 Ų11539.7 Ų39.750%0.523%0.231SC..  trans-88.4-28.4177.7-63.1-179.8-171.5170.30113E103 A145 F151 T152E103-K147 WeakPolarHBondContact OE1-CE 3.45Å; E103-K147 IonicContact OE1-NZ 3.79Å; E103-K147 PolarHBondContact OE1-NZ 3.39Å; A145-K147 PolarHBondContact O-N 3.44Å; K147-F151 WeakPolarHBondContact CB-O 3.49Å; K147-F151 PolarHBondContact N-O 3.47Å; K147-T152 WeakPolarHBondContact CD-O 3.22Å
148G94Very high98.1Very high29 Ų2937.3 Ų37.330%0.29921%0.211SC..SBendtrans91143.316800000115Y150 G153G148-Y150 VanDerWaalsContact C-N 3.29Å; G148-Y150 WeakPolarHBondContact CA-O 3.45Å; G148-Y150 PolarHBondContact N-O 2.87Å; G148-G153 CarbonylContact C-O 3.36Å; G148-G153 VanDerWaalsContact C-O 3.3Å; G148-G153 CarbonylContact O-C 3.56Å; G148-G153 VanDerWaalsContact O-CA 3.31Å; G148-G153 WeakPolarHBondContact O-CA 3.42Å; G148-G153 VanDerWaalsContact O-O 3.04Å
149P97.3Very high98.1Very high41 Ų4136.9 Ų36.927%0.26621%0.207SC..SBendcis-76.8-13.5-7.234.9-34.8000112.6G153 T207P149-G153 WeakPolarHBondContact CD-O 3.37Å; P149-T207 HydrophobicContact CB-CG2 4.05Å; P149-T207 HydrophobicContact CG-CG2 4.36Å
150Y98.7Very high98.1Very high20 Ų2036.9 Ų36.98%0.07821%0.207CC..SBendtrans-95.9175168.9-59.1-78.7000111.1G148 T152 G153 P154 V156 D160 T207 M208 Q211G148-Y150 VanDerWaalsContact C-N 3.29Å; G148-Y150 WeakPolarHBondContact CA-O 3.45Å; G148-Y150 PolarHBondContact N-O 2.87Å; Y150-T152 PolarHBondContact O-N 3.28Å; Y150-G153 WeakPolarHBondContact CB-O 3.23Å; Y150-G153 PolarHBondContact N-O 3.49Å; Y150-G153 PolarHBondContact O-N 3.18Å; Y150-P154 VanDerWaalsContact CD2-O 3.23Å; Y150-P154 WeakPolarHBondContact CD2-O 3.28Å; Y150-P154 VanDerWaalsContact CE2-O 3.28Å; Y150-P154 WeakPolarHBondContact CE2-O 3.23Å; Y150-V156 HydrophobicContact CD1-CB 4.04Å; Y150-V156 HydrophobicContact CD1-CG2 4.29Å; Y150-V156 HydrophobicContact CE1-CB 3.85Å; Y150-V156 HydrophobicContact CE1-CG2 4.22Å; Y150-V156 HydrophobicContact CE2-CB 4.42Å; Y150-V156 HydrophobicContact CG-CB 4.4Å; Y150-D160 WeakPolarHBondContact CB-OD1 3.33Å; Y150-T207 HydrophobicContact CD1-CG2 4.25Å; Y150-T207 HydrophobicContact CE1-CG2 3.63Å; Y150-T207 HydrophobicContact CE2-CG2 4.13Å; Y150-M208 HydrophobicContact CD1-SD 3.82Å; Y150-M208 HydrophobicContact CE1-SD 3.73Å; Y150-Q211 PolarHBondContact OH-NE2 3.4Å
151F98.6Very high98.1Very high0 Ų034.5 Ų34.50%019%0.191CC..SBendtrans-56.5-48.1-176.4-178.7-110.9000112.3E103 K106 A107 L110 A145 I146 K147 A159 D160 L163E103-F151 HydrophobicContact CB-CE1 4.45Å; E103-F151 WeakPolarHBondContact O-CE1 3.45Å; K106-F151 HydrophobicContact CD-CZ 4.26Å; K106-F151 HydrophobicContact CG-CZ 4.32Å; A107-F151 HydrophobicContact CB-CD1 4.1Å; A107-F151 HydrophobicContact CB-CE1 3.74Å; A107-F151 HydrophobicContact CB-CZ 4.12Å; L110-F151 HydrophobicContact CD1-CE2 3.72Å; L110-F151 HydrophobicContact CD1-CZ 3.74Å; A145-F151 HydrophobicContact CB-CE2 3.85Å; A145-F151 HydrophobicContact CB-CZ 4.32Å; I146-F151 HydrophobicContact CG1-CD2 3.95Å; K147-F151 WeakPolarHBondContact CB-O 3.49Å; K147-F151 PolarHBondContact N-O 3.47Å; F151-A159 HydrophobicContact CD1-CB 3.61Å; F151-A159 HydrophobicContact CE1-CB 4.27Å; F151-A159 HydrophobicContact CG-CB 4.42Å; F151-D160 WeakPolarHBondContact CB-OD1 3.36Å; F151-D160 PolarHBondContact N-OD1 3.02Å; F151-L163 HydrophobicContact CB-CD1 3.79Å; F151-L163 HydrophobicContact CD1-CD1 4.07Å; F151-L163 HydrophobicContact CD2-CD1 3.24Å; F151-L163 HydrophobicContact CE2-CD1 3.76Å; F151-L163 HydrophobicContact CG-CD1 3.41Å; F151-L163 VanDerWaalsContact CG-CD1 3.41Å; F151-L163 HydrophobicContact CZ-CD1 4.36Å
152T98.2Very high98.1Very high26 Ų2627.9 Ų27.916%0.1616%0.162CC..SBendtrans-96.3-5.1-177.154.70000115.3C99 E103 K147 Y150 S157C99-T152 HydrophobicContact CB-CG2 3.49Å; C99-T152 VanDerWaalsContact CB-CG2 3.49Å; E103-T152 HydrophobicContact CB-CG2 3.49Å; E103-T152 VanDerWaalsContact CB-CG2 3.49Å; E103-T152 HydrophobicContact CG-CG2 3.78Å; K147-T152 WeakPolarHBondContact CD-O 3.22Å; Y150-T152 PolarHBondContact O-N 3.28Å; T152-S157 PolarHBondContact OG1-OG 2.89Å
153G97.3Very high98.1Very high7 Ų727.9 Ų27.97%0.07216%0.162CC..SBendtrans143.6-137.4176.900000113.3G148 P149 Y150 D155G148-G153 CarbonylContact C-O 3.36Å; G148-G153 VanDerWaalsContact C-O 3.3Å; G148-G153 CarbonylContact O-C 3.56Å; G148-G153 VanDerWaalsContact O-CA 3.31Å; G148-G153 WeakPolarHBondContact O-CA 3.42Å; G148-G153 VanDerWaalsContact O-O 3.04Å; P149-G153 WeakPolarHBondContact CD-O 3.37Å; Y150-G153 WeakPolarHBondContact CB-O 3.23Å; Y150-G153 PolarHBondContact N-O 3.49Å; Y150-G153 PolarHBondContact O-N 3.18Å; G153-D155 PolarHBondContact O-N 3.29Å
154P97.2Very high98.1Very high99 Ų9927.3 Ų27.364%0.64316%0.159SC*.SBendtrans-69.4-28.4-168.227.5-35000114.4Y150Y150-P154 VanDerWaalsContact CD2-O 3.23Å; Y150-P154 WeakPolarHBondContact CD2-O 3.28Å; Y150-P154 VanDerWaalsContact CE2-O 3.28Å; Y150-P154 WeakPolarHBondContact CE2-O 3.23Å
155D97.6Very high98Very high101 Ų10122.4 Ų22.454%0.5413%0.133SC..SBendtrans-113.8147-171.4-61-59.8000112.2G153G153-D155 PolarHBondContact O-N 3.29Å
156V98.4Very high98Very high12 Ų1221.9 Ų21.97%0.07313%0.127CC..  trans-64.3139.1171.266.50000110.6Y37 L95 R98 Y150 D160 L161 M208 F213Y37-V156 HydrophobicContact CE2-CG1 3.91Å; L95-V156 HydrophobicContact CD2-CG1 4.23Å; L95-V156 WeakPolarHBondContact CD2-O 3.22Å; R98-V156 VanDerWaalsContact CD-O 3.22Å; R98-V156 WeakPolarHBondContact CD-O 3.4Å; R98-V156 PolarHBondContact NH1-O 3.05Å; Y150-V156 HydrophobicContact CD1-CB 4.04Å; Y150-V156 HydrophobicContact CD1-CG2 4.29Å; Y150-V156 HydrophobicContact CE1-CB 3.85Å; Y150-V156 HydrophobicContact CE1-CG2 4.22Å; Y150-V156 HydrophobicContact CE2-CB 4.42Å; Y150-V156 HydrophobicContact CG-CB 4.4Å; V156-D160 HydrophobicContact CG2-CB 4.18Å; V156-L161 HydrophobicContact CG2-CD1 4.24Å; V156-M208 HydrophobicContact CG2-SD 4.41Å; V156-F213 HydrophobicContact CG2-CE1 4.48Å; V156-F213 HydrophobicContact CG2-CZ 4.08Å
157S98.6Very high97.9Very high0 Ų021.7 Ų21.70%013%0.127CC..  trans-137.4175.8-176.173.70000111.2L95 T152 A159 D160L95-S157 WeakPolarHBondContact O-CA 3.19Å; T152-S157 PolarHBondContact OG1-OG 2.89Å; S157-A159 PolarHBondContact O-N 3.41Å; S157-A159 PolarHBondContact OG-N 3.13Å; S157-D160 WeakPolarHBondContact CA-OD2 3.31Å; S157-D160 WeakPolarHBondContact CB-OD2 3.35Å; S157-D160 PolarHBondContact N-OD2 3.37Å; S157-D160 WeakPolarHBondContact O-CB 3.47Å; S157-D160 PolarHBondContact O-N 3.41Å; S157-D160 PolarHBondContact OG-OD2 3.38Å
158L98.6Very high97.8Very high0 Ų016.6 Ų16.60%011%0.105CC..Hα-helixtrans-70.9-24.1-178.7-161.867.2000111.7I34 I83 R84 D87 L95 L96 F104 D160 L161 I162I34-L158 HydrophobicContact CD1-CD1 3.76Å; I83-L158 HydrophobicContact CB-CD1 4.13Å; I83-L158 HydrophobicContact CD1-CD1 3.93Å; I83-L158 HydrophobicContact CD1-CD2 4.35Å; I83-L158 HydrophobicContact CD1-CG 3.95Å; I83-L158 HydrophobicContact CG1-CD1 4.03Å; I83-L158 HydrophobicContact CG1-CD2 4.2Å; I83-L158 HydrophobicContact CG1-CG 4.25Å; R84-L158 HydrophobicContact CG-CD2 3.68Å; D87-L158 HydrophobicContact CB-CD1 4.29Å; D87-L158 HydrophobicContact CB-CD2 4.47Å; L95-L158 HydrophobicContact CB-CB 3.9Å; L95-L158 HydrophobicContact CB-CD1 4.24Å; L95-L158 PolarHBondContact O-N 2.91Å; L95-L158 VanDerWaalsContact O-N 3.08Å; L96-L158 HydrophobicContact CB-CB 4.34Å; L96-L158 HydrophobicContact CB-CD2 3.96Å; L96-L158 HydrophobicContact CD1-CD2 4.32Å; F104-L158 HydrophobicContact CD2-CB 4.03Å; F104-L158 HydrophobicContact CD2-CD2 3.94Å; F104-L158 HydrophobicContact CD2-CG 4Å; F104-L158 HydrophobicContact CE2-CB 4.28Å; F104-L158 HydrophobicContact CE2-CD2 3.61Å; F104-L158 HydrophobicContact CE2-CG 3.73Å; F104-L158 HydrophobicContact CZ-CD2 4.37Å; L158-D160 VanDerWaalsContact C-N 3.28Å; L158-D160 PolarHBondContact O-N 3.34Å; L158-L161 HydrophobicContact CD1-CD2 4.46Å; L158-L161 PolarHBondContact O-N 2.98Å; L158-I162 PolarHBondContact O-N 2.88Å
159A98.7Very high98Very high0 Ų015.5 Ų15.50%09%0.091CC..Hα-helixtrans-62.1-36174.300000112C99 A107 F151 S157 L161 I162 L163C99-A159 HydrophobicContact CB-CB 4.28Å; A107-A159 HydrophobicContact CB-CB 3.73Å; F151-A159 HydrophobicContact CD1-CB 3.61Å; F151-A159 HydrophobicContact CE1-CB 4.27Å; F151-A159 HydrophobicContact CG-CB 4.42Å; S157-A159 PolarHBondContact O-N 3.41Å; S157-A159 PolarHBondContact OG-N 3.13Å; A159-L161 VanDerWaalsContact C-N 3.33Å; A159-L161 PolarHBondContact O-N 3.26Å; A159-I162 WeakPolarHBondContact O-CB 3.49Å; A159-I162 PolarHBondContact O-N 3.05Å; A159-L163 WeakPolarHBondContact O-CG 3.13Å; A159-L163 PolarHBondContact O-N 3.43Å
160D98.8Very high98Very high0 Ų013.6 Ų13.60%08%0.079CC..Hα-helixtrans-65.6-38.7178.4-55.9-64.4000111.5Y150 F151 V156 S157 L158 I162 L163 F164 F204 M208Y150-D160 WeakPolarHBondContact CB-OD1 3.33Å; F151-D160 WeakPolarHBondContact CB-OD1 3.36Å; F151-D160 PolarHBondContact N-OD1 3.02Å; V156-D160 HydrophobicContact CG2-CB 4.18Å; S157-D160 WeakPolarHBondContact CA-OD2 3.31Å; S157-D160 WeakPolarHBondContact CB-OD2 3.35Å; S157-D160 PolarHBondContact N-OD2 3.37Å; S157-D160 WeakPolarHBondContact O-CB 3.47Å; S157-D160 PolarHBondContact O-N 3.41Å; S157-D160 PolarHBondContact OG-OD2 3.38Å; L158-D160 VanDerWaalsContact C-N 3.28Å; L158-D160 PolarHBondContact O-N 3.34Å; D160-I162 VanDerWaalsContact C-N 3.29Å; D160-I162 PolarHBondContact O-N 3.05Å; D160-L163 PolarHBondContact O-N 3.21Å; D160-F164 WeakPolarHBondContact O-CB 3.4Å; D160-F164 PolarHBondContact O-N 3.15Å; D160-F204 HydrophobicContact CB-CE2 4.07Å; D160-F204 HydrophobicContact CB-CZ 4.22Å; D160-F204 VanDerWaalsContact OD1-CE2 3.23Å; D160-F204 WeakPolarHBondContact OD1-CE2 3.32Å; D160-M208 HydrophobicContact CB-CE 4.14Å; D160-M208 HydrophobicContact CB-SD 4.05Å
161L98.6Very high97.9Very high0 Ų013 Ų130%08%0.077CC..Hα-helixtrans-68.9-26.5176.6-84.267.5000112.4R30 L33 I34 L95 V156 L158 A159 P165 F213R30-L161 WeakPolarHBondContact CG-O 3.44Å; L33-L161 HydrophobicContact CB-CD2 3.89Å; L33-L161 HydrophobicContact CB-CG 3.9Å; L33-L161 HydrophobicContact CD1-CG 4.42Å; I34-L161 HydrophobicContact CB-CD2 3.8Å; I34-L161 HydrophobicContact CD1-CD2 3.73Å; I34-L161 HydrophobicContact CG1-CD2 4.38Å; L95-L161 HydrophobicContact CD1-CD1 4.23Å; L95-L161 HydrophobicContact CD1-CD2 4.27Å; V156-L161 HydrophobicContact CG2-CD1 4.24Å; L158-L161 HydrophobicContact CD1-CD2 4.46Å; L158-L161 PolarHBondContact O-N 2.98Å; A159-L161 VanDerWaalsContact C-N 3.33Å; A159-L161 PolarHBondContact O-N 3.26Å; L161-P165 WeakPolarHBondContact O-CD 3.46Å; L161-P165 WeakPolarHBondContact O-CG 3.36Å; L161-F213 HydrophobicContact CD1-CE2 4.05Å; L161-F213 HydrophobicContact CD1-CZ 4.2Å
162I98.2Very high97.8Very high0 Ų013 Ų130%08%0.077CC..Hα-helixtrans-70.2-43.1172.5-73-67.7000111.5R30 D80 I83 F104 A107 K108 I111 L158 A159 D160R30-I162 PolarHBondContact NE-O 2.79Å; R30-I162 PolarHBondContact NH2-O 2.85Å; R30-I162 VanDerWaalsContact NH2-O 3.09Å; D80-I162 HydrophobicContact CB-CD1 4.19Å; I83-I162 HydrophobicContact CD1-CD1 3.56Å; I83-I162 HydrophobicContact CD1-CG1 3.95Å; F104-I162 HydrophobicContact CD2-CG1 4.15Å; F104-I162 HydrophobicContact CE2-CD1 3.93Å; F104-I162 HydrophobicContact CE2-CG1 3.43Å; F104-I162 VanDerWaalsContact CE2-CG1 3.43Å; F104-I162 HydrophobicContact CZ-CD1 3.94Å; F104-I162 HydrophobicContact CZ-CG1 3.92Å; A107-I162 HydrophobicContact CB-CG2 4.36Å; K108-I162 HydrophobicContact CB-CG2 4.29Å; I111-I162 HydrophobicContact CB-CG2 4.38Å; I111-I162 HydrophobicContact CG2-CG2 3.82Å; L158-I162 PolarHBondContact O-N 2.88Å; A159-I162 WeakPolarHBondContact O-CB 3.49Å; A159-I162 PolarHBondContact O-N 3.05Å; D160-I162 VanDerWaalsContact C-N 3.29Å; D160-I162 PolarHBondContact O-N 3.05Å
163L98.3Very high97.8Very high0 Ų011.7 Ų11.70%07%0.069CC..Hα-helixtrans-80.6-50.4-172.2-70.6166.3000112.4A107 L110 I111 I142 F151 A159 D160 H166 L167 F204A107-L163 HydrophobicContact CB-CD1 3.92Å; A107-L163 HydrophobicContact CB-CD2 4.32Å; A107-L163 HydrophobicContact CB-CG 3.95Å; L110-L163 HydrophobicContact CB-CD2 4.42Å; I111-L163 HydrophobicContact CB-CD2 4.24Å; I111-L163 HydrophobicContact CD1-CD2 3.99Å; I142-L163 HydrophobicContact CD1-CD2 4.38Å; I142-L163 HydrophobicContact CG1-CD2 4.49Å; F151-L163 HydrophobicContact CB-CD1 3.79Å; F151-L163 HydrophobicContact CD1-CD1 4.07Å; F151-L163 HydrophobicContact CD2-CD1 3.24Å; F151-L163 HydrophobicContact CE2-CD1 3.76Å; F151-L163 HydrophobicContact CG-CD1 3.41Å; F151-L163 VanDerWaalsContact CG-CD1 3.41Å; F151-L163 HydrophobicContact CZ-CD1 4.36Å; A159-L163 WeakPolarHBondContact O-CG 3.13Å; A159-L163 PolarHBondContact O-N 3.43Å; D160-L163 PolarHBondContact O-N 3.21Å; L163-H166 PolarHBondContact O-N 3Å; L163-L167 HydrophobicContact CB-CD1 3.99Å; L163-L167 PolarHBondContact O-N 2.75Å; L163-F204 HydrophobicContact CB-CZ 4.44Å
164F98.5Very high97.8Very high0 Ų011.6 Ų11.60%07%0.067CC..Hα-helixtrans-54.7-44.7-166.7172.3-98.4000114L33 D160 H166 L167 H168 F204 L205 M208 R209 V214 T218L33-F164 HydrophobicContact CD1-CD1 3.8Å; L33-F164 HydrophobicContact CD1-CE1 4.46Å; D160-F164 WeakPolarHBondContact O-CB 3.4Å; D160-F164 PolarHBondContact O-N 3.15Å; F164-H166 VanDerWaalsContact C-N 3.32Å; F164-H166 PolarHBondContact O-N 3.32Å; F164-L167 CarbonylContact O-C 3.08Å; F164-L167 PolarHBondContact O-N 3.13Å; F164-L167 VanDerWaalsContact O-N 3.13Å; F164-H168 HydrophobicContact CE1-CB 4.12Å; F164-H168 HydrophobicContact CE2-CB 4.02Å; F164-H168 AromaticContact CE2-ND1 3.94Å; F164-H168 HydrophobicContact CZ-CB 3.79Å; F164-H168 AromaticContact CZ-CG 3.72Å; F164-H168 AromaticContact CZ-ND1 3.5Å; F164-H168 WeakPolarHBondContact CZ-ND1 3.39Å; F164-H168 WeakPolarHBondContact O-CB 3.49Å; F164-H168 PolarHBondContact O-N 3.24Å; F164-F204 HydrophobicContact CB-CE1 4.07Å; F164-F204 HydrophobicContact CB-CZ 4.01Å; F164-F204 HydrophobicContact CD2-CE1 4.27Å; F164-L205 HydrophobicContact CD2-CD2 4.13Å; F164-L205 HydrophobicContact CE2-CD2 4.13Å; F164-M208 HydrophobicContact CB-CE 3.72Å; F164-M208 HydrophobicContact CB-CG 4.34Å; F164-M208 HydrophobicContact CD1-CE 4.21Å; F164-M208 HydrophobicContact CD2-CB 3.31Å; F164-M208 HydrophobicContact CD2-CE 4.32Å; F164-M208 HydrophobicContact CD2-CG 3.79Å; F164-M208 HydrophobicContact CE2-CB 3.52Å; F164-M208 HydrophobicContact CE2-CG 4.48Å; F164-M208 HydrophobicContact CG-CB 4.01Å; F164-M208 HydrophobicContact CG-CE 3.8Å; F164-M208 HydrophobicContact CG-CG 4.2Å; F164-M208 HydrophobicContact CZ-CB 4.38Å; F164-R209 HydrophobicContact CE2-CG 4.04Å; F164-R209 HydrophobicContact CZ-CG 4.18Å; F164-V214 HydrophobicContact CD1-CG1 4.25Å; F164-V214 HydrophobicContact CE1-CG1 3.36Å; F164-V214 HydrophobicContact CE2-CG1 4.27Å; F164-V214 HydrophobicContact CZ-CG1 3.36Å; F164-T218 HydrophobicContact CE1-CG2 3.61Å; F164-T218 HydrophobicContact CZ-CG2 4.15Å
165P97.7Very high97.8Very high1 Ų17 Ų71%0.0064%0.038CC..Hα-helixtrans-53.8-44-179-32.939.4000114.8P26 D29 R30 L33 L161 R169P26-P165 HydrophobicContact CB-CB 3.89Å; P26-P165 WeakPolarHBondContact O-CB 3.39Å; D29-P165 HydrophobicContact CB-CB 3.82Å; D29-P165 HydrophobicContact CB-CG 3.98Å; R30-P165 HydrophobicContact CG-CG 3.87Å; L33-P165 HydrophobicContact CD1-CG 3.74Å; L161-P165 WeakPolarHBondContact O-CD 3.46Å; L161-P165 WeakPolarHBondContact O-CG 3.36Å; P165-R169 PolarHBondContact O-NH1 2.87Å
166H97.1Very high97.7Very high5 Ų54 Ų42%0.0232%0.018CC..Hα-helixtrans-74.8-40.2179.1-69.687.1000111.4P26 Y27 I111 I114 S115 L163 F164 H168 R169P26-H166 VanDerWaalsContact CG-NE2 3.28Å; P26-H166 WeakPolarHBondContact CG-NE2 3.33Å; Y27-H166 AromaticContact CE1-CE1 3.77Å; Y27-H166 AromaticContact CZ-CE1 3.98Å; Y27-H166 AromaticContact CZ-NE2 3.79Å; I111-H166 HydrophobicContact CD1-CB 3.48Å; I111-H166 VanDerWaalsContact CD1-CB 3.48Å; I111-H166 HydrophobicContact CG1-CB 3.92Å; I111-H166 WeakPolarHBondContact CG1-ND1 3.33Å; I114-H166 HydrophobicContact CG2-CB 4.05Å; S115-H166 PolarHBondContact OG-NE2 3.41Å; L163-H166 PolarHBondContact O-N 3Å; F164-H166 VanDerWaalsContact C-N 3.32Å; F164-H166 PolarHBondContact O-N 3.32Å; H166-H168 VanDerWaalsContact C-N 3.28Å; H166-H168 PolarHBondContact O-N 3.21Å; H166-R169 PolarHBondContact O-N 2.74Å
167L97.7Very high97.6Very high0 Ų05.6 Ų5.60%03%0.026CC..Hα-helixtrans-66.7-29178-64176.5000112.2I114 I142 L163 F164 R169 F170 L201 F204 L205I114-L167 HydrophobicContact CD1-CD2 3.71Å; I142-L167 HydrophobicContact CD1-CD2 4.04Å; I142-L167 HydrophobicContact CG2-CD1 3.92Å; I142-L167 HydrophobicContact CG2-CD2 4.36Å; L163-L167 HydrophobicContact CB-CD1 3.99Å; L163-L167 PolarHBondContact O-N 2.75Å; F164-L167 CarbonylContact O-C 3.08Å; F164-L167 PolarHBondContact O-N 3.13Å; F164-L167 VanDerWaalsContact O-N 3.13Å; L167-R169 PolarHBondContact O-N 3.04Å; L167-F170 WeakPolarHBondContact O-CB 3.2Å; L167-F170 PolarHBondContact O-N 3.37Å; L167-L201 HydrophobicContact CD2-CD1 3.9Å; L167-L201 HydrophobicContact CD2-CG 4.25Å; L167-F204 HydrophobicContact CD1-CD1 3.97Å; L167-F204 HydrophobicContact CD1-CE1 3.76Å; L167-L205 HydrophobicContact CB-CD2 3.79Å; L167-L205 WeakPolarHBondContact O-CD2 3.09Å
168H96.6Very high97.4Very high8 Ų810.1 Ų10.14%0.0375%0.054CC..THydrogen-bonded Turntrans-60-18.2178.5-176.260.2000113.1F164 H166 R209 V219F164-H168 HydrophobicContact CE1-CB 4.12Å; F164-H168 HydrophobicContact CE2-CB 4.02Å; F164-H168 AromaticContact CE2-ND1 3.94Å; F164-H168 HydrophobicContact CZ-CB 3.79Å; F164-H168 AromaticContact CZ-CG 3.72Å; F164-H168 AromaticContact CZ-ND1 3.5Å; F164-H168 WeakPolarHBondContact CZ-ND1 3.39Å; F164-H168 WeakPolarHBondContact O-CB 3.49Å; F164-H168 PolarHBondContact O-N 3.24Å; H166-H168 VanDerWaalsContact C-N 3.28Å; H166-H168 PolarHBondContact O-N 3.21Å; H168-R209 PolarHBondContact ND1-NE 3.25Å; H168-R209 VanDerWaalsContact ND1-NE 3.13Å; H168-R209 PolarHBondContact O-NH2 2.96Å; H168-R209 VanDerWaalsContact O-NH2 3.14Å; H168-V219 PolarHBondContact NE2-O 2.81Å
169R96.3Very high97.2Very high6 Ų613.1 Ų13.12%0.0239%0.085CC..THydrogen-bonded Turntrans-91.98176.2-62.9156.9171.675.1-4.2112.7F24 D29 M122 P165 H166 L167 E171 V172 V173 H224F24-R169 VanDerWaalsContact C-NH2 3.35Å; F24-R169 PolarHBondContact O-NH2 2.82Å; D29-R169 IonicContact OD2-CZ 3.82Å; D29-R169 IonicContact OD2-NH1 3.01Å; D29-R169 PolarHBondContact OD2-NH1 3.41Å; D29-R169 VanDerWaalsContact OD2-NH1 3.12Å; D29-R169 IonicContact OD2-NH2 3.55Å; D29-R169 PolarHBondContact OD2-NH2 3.45Å; M122-R169 HydrophobicContact SD-CB 4.04Å; M122-R169 HydrophobicContact SD-CG 4.48Å; P165-R169 PolarHBondContact O-NH1 2.87Å; H166-R169 PolarHBondContact O-N 2.74Å; L167-R169 PolarHBondContact O-N 3.04Å; R169-E171 PolarHBondContact O-N 2.89Å; R169-V172 WeakPolarHBondContact O-CB 3.46Å; R169-V172 PolarHBondContact O-N 3.36Å; R169-V172 VanDerWaalsContact O-N 3.1Å; R169-V173 WeakPolarHBondContact O-CG2 3.47Å; R169-V173 PolarHBondContact O-N 3.12Å; R169-H224 PolarHBondContact NH2-CE1 3.05Å; R169-H224 VanDerWaalsContact NH2-CE1 3.29Å
170F97.6Very high97Very high0 Ų016.9 Ų16.90%010%0.101CC..Hα-helixtrans-53.6-50.6-174.1-178.6-105.2000113.4Y135 C139 L167 V172 V173 M174 L188 L194 F198 L201 T202 L205Y135-F170 HydrophobicContact CE1-CD2 4.44Å; C139-F170 HydrophobicContact CB-CE2 4.41Å; L167-F170 WeakPolarHBondContact O-CB 3.2Å; L167-F170 PolarHBondContact O-N 3.37Å; F170-V172 VanDerWaalsContact C-N 3.27Å; F170-V172 PolarHBondContact O-N 3.44Å; F170-V173 PolarHBondContact O-N 3.29Å; F170-M174 HydrophobicContact CD1-CG 4.36Å; F170-M174 HydrophobicContact CD2-CE 4.19Å; F170-M174 HydrophobicContact CD2-CG 4.23Å; F170-M174 HydrophobicContact CE1-CG 4.11Å; F170-M174 HydrophobicContact CE2-CE 3.29Å; F170-M174 HydrophobicContact CE2-CG 3.98Å; F170-M174 HydrophobicContact CG-CG 4.42Å; F170-M174 HydrophobicContact CZ-CE 3.55Å; F170-M174 HydrophobicContact CZ-CG 3.9Å; F170-M174 WeakPolarHBondContact O-CB 3.43Å; F170-M174 WeakPolarHBondContact O-CG 3.48Å; F170-M174 PolarHBondContact O-N 3.11Å; F170-L188 HydrophobicContact CD1-CD1 4.1Å; F170-L188 HydrophobicContact CE1-CD1 3.7Å; F170-L194 HydrophobicContact CE1-CB 4.37Å; F170-F198 HydrophobicContact CE2-CD2 4.17Å; F170-F198 HydrophobicContact CE2-CG 4.45Å; F170-F198 HydrophobicContact CZ-CB 4.26Å; F170-F198 AromaticContact CZ-CD2 3.59Å; F170-F198 HydrophobicContact CZ-CD2 3.59Å; F170-F198 HydrophobicContact CZ-CE2 4.18Å; F170-F198 HydrophobicContact CZ-CG 4.09Å; F170-L201 HydrophobicContact CD1-CD2 4.42Å; F170-L201 HydrophobicContact CD2-CD2 3.92Å; F170-L201 HydrophobicContact CE1-CD2 4.49Å; F170-L201 HydrophobicContact CE2-CD1 4.42Å; F170-L201 HydrophobicContact CE2-CD2 4.01Å; F170-L201 HydrophobicContact CG-CD2 4.13Å; F170-L201 HydrophobicContact CZ-CD2 4.31Å; F170-T202 HydrophobicContact CE1-CG2 4.04Å; F170-L205 HydrophobicContact CB-CD1 3.82Å; F170-L205 HydrophobicContact CD1-CD1 4.31Å; F170-L205 HydrophobicContact CG-CD1 4.24Å
171E97Very high96.8Very high7 Ų722.5 Ų22.53%0.03313%0.126CC..Hα-helixtrans-65-33179.9-64.390.1159.900112.2R169 G175 I185 L188 R209R169-E171 PolarHBondContact O-N 2.89Å; E171-G175 WeakPolarHBondContact O-CA 3.48Å; E171-G175 PolarHBondContact O-N 3.45Å; E171-I185 HydrophobicContact CB-CG2 4.19Å; E171-L188 HydrophobicContact CG-CD2 4.03Å; E171-L188 HydrophobicContact CG-CG 3.81Å; E171-R209 IonicContact OE1-CZ 3.5Å; E171-R209 IonicContact OE1-NH1 3.12Å; E171-R209 PolarHBondContact OE1-NH1 3.37Å; E171-R209 IonicContact OE1-NH2 3.56Å; E171-R209 PolarHBondContact OE1-NH2 3.47Å; E171-R209 IonicContact OE2-CZ 3.88Å; E171-R209 IonicContact OE2-NH1 2.94Å; E171-R209 IonicContact OE2-NH2 2.78Å; E171-R209 PolarHBondContact OE2-NH2 3.16Å
172V97.2Very high96.5Very high0 Ų024.5 Ų24.50%014%0.139CC..Hα-helixtrans-67.3-46.1176.6-179.10000110.3M122 R169 F170 R176 I185 Y221 H224 A225M122-V172 HydrophobicContact CG-CG1 4.18Å; M122-V172 HydrophobicContact SD-CB 4.39Å; M122-V172 HydrophobicContact SD-CG1 3.96Å; R169-V172 WeakPolarHBondContact O-CB 3.46Å; R169-V172 PolarHBondContact O-N 3.36Å; R169-V172 VanDerWaalsContact O-N 3.1Å; F170-V172 VanDerWaalsContact C-N 3.27Å; F170-V172 PolarHBondContact O-N 3.44Å; V172-R176 WeakPolarHBondContact O-CG 3.49Å; V172-R176 PolarHBondContact O-N 3.44Å; V172-R176 VanDerWaalsContact O-N 3.07Å; V172-I185 HydrophobicContact CG2-CG2 4.34Å; V172-Y221 WeakPolarHBondContact CG2-O 3.38Å; V172-H224 HydrophobicContact CG2-CB 3.88Å; V172-A225 HydrophobicContact CG1-CB 4.38Å; V172-A225 HydrophobicContact CG2-CB 4.3Å
173V97.9Very high96.3Very high0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-66.2-49.2178.3-1780000110.7S118 I121 M122 Y135 R169 F170 G175 R176 I177S118-V173 WeakPolarHBondContact OG-CG2 3.49Å; I121-V173 HydrophobicContact CB-CG1 4.06Å; I121-V173 HydrophobicContact CD1-CG1 3.85Å; I121-V173 HydrophobicContact CG2-CG1 3.76Å; M122-V173 HydrophobicContact CG-CG2 3.72Å; M122-V173 HydrophobicContact SD-CG2 3.75Å; Y135-V173 HydrophobicContact CD1-CG1 3.66Å; Y135-V173 HydrophobicContact CD2-CG1 3.98Å; Y135-V173 HydrophobicContact CE1-CB 3.88Å; Y135-V173 HydrophobicContact CE1-CG1 3.39Å; Y135-V173 HydrophobicContact CE2-CB 4.16Å; Y135-V173 HydrophobicContact CE2-CG1 3.73Å; Y135-V173 HydrophobicContact CE2-CG2 4.01Å; Y135-V173 HydrophobicContact CG-CG1 3.96Å; Y135-V173 VanDerWaalsContact CZ-CG1 3.45Å; R169-V173 WeakPolarHBondContact O-CG2 3.47Å; R169-V173 PolarHBondContact O-N 3.12Å; F170-V173 PolarHBondContact O-N 3.29Å; V173-G175 VanDerWaalsContact C-N 3.34Å; V173-G175 PolarHBondContact O-N 2.92Å; V173-R176 WeakPolarHBondContact O-CB 3.33Å; V173-R176 PolarHBondContact O-N 3.49Å; V173-I177 HydrophobicContact CG1-CD1 4.11Å; V173-I177 WeakPolarHBondContact O-CG1 3.32Å; V173-I177 PolarHBondContact O-N 2.89Å
174M97.5Very high96.1Very high5 Ų535.4 Ų35.43%0.02519%0.189CC..Hα-helixtrans-66.2-36.2180-68.1-62.1-167.500112.3Y135 R136 F170 R176 I177 T178 L194 F198Y135-M174 HydrophobicContact CD1-CE 4.22Å; Y135-M174 HydrophobicContact CE1-CE 3.82Å; Y135-M174 HydrophobicContact CE1-CG 4.5Å; Y135-M174 HydrophobicContact CE1-SD 4.18Å; R136-M174 HydrophobicContact CG-CE 4.31Å; F170-M174 HydrophobicContact CD1-CG 4.36Å; F170-M174 HydrophobicContact CD2-CE 4.19Å; F170-M174 HydrophobicContact CD2-CG 4.23Å; F170-M174 HydrophobicContact CE1-CG 4.11Å; F170-M174 HydrophobicContact CE2-CE 3.29Å; F170-M174 HydrophobicContact CE2-CG 3.98Å; F170-M174 HydrophobicContact CG-CG 4.42Å; F170-M174 HydrophobicContact CZ-CE 3.55Å; F170-M174 HydrophobicContact CZ-CG 3.9Å; F170-M174 WeakPolarHBondContact O-CB 3.43Å; F170-M174 WeakPolarHBondContact O-CG 3.48Å; F170-M174 PolarHBondContact O-N 3.11Å; M174-R176 VanDerWaalsContact C-N 3.34Å; M174-R176 PolarHBondContact O-N 3.35Å; M174-I177 PolarHBondContact O-N 2.75Å; M174-I177 HydrophobicContact SD-CD1 3.82Å; M174-T178 WeakPolarHBondContact O-CG2 3.35Å; M174-T178 PolarHBondContact O-N 3.02Å; M174-T178 PolarHBondContact O-OG1 3.14Å; M174-L194 HydrophobicContact CB-CD1 3.74Å; M174-L194 HydrophobicContact CE-CD2 4.32Å; M174-L194 HydrophobicContact CG-CD1 3.96Å; M174-L194 HydrophobicContact CG-CD2 4.48Å; M174-L194 HydrophobicContact SD-CD2 4.24Å; M174-F198 HydrophobicContact CE-CD2 4.25Å; M174-F198 HydrophobicContact CE-CE2 3.56Å; M174-F198 HydrophobicContact CE-CZ 4.02Å
175G96.2Very high95.9Very high3 Ų335.7 Ų35.73%0.03119%0.191CC..Hα-helixtrans-59.3-44.1171.500000112.1E171 V173 T178 G179 K180E171-G175 WeakPolarHBondContact O-CA 3.48Å; E171-G175 PolarHBondContact O-N 3.45Å; V173-G175 VanDerWaalsContact C-N 3.34Å; V173-G175 PolarHBondContact O-N 2.92Å; G175-T178 CarbonylContact O-C 3.59Å; G175-T178 PolarHBondContact O-N 2.98Å; G175-T178 PolarHBondContact O-OG1 3.29Å; G175-T178 VanDerWaalsContact O-OG1 3.09Å; G175-G179 PolarHBondContact O-N 3.31Å; G175-G179 VanDerWaalsContact O-N 3.11Å; G175-K180 WeakPolarHBondContact O-CB 3.49Å; G175-K180 PolarHBondContact O-N 2.97Å
176R95.6Very high95.8Very high36 Ų3640 Ų4014%0.13621%0.214CC..Hα-helixtrans-64.1-42174.9-76.3-64.7-58.8-77.7-4.9113.3I121 M122 V124 I127 V172 V173 M174 T178 G179I121-R176 HydrophobicContact CG2-CB 3.89Å; I121-R176 PolarHBondContact O-NH1 2.69Å; I121-R176 PolarHBondContact O-NH2 3Å; M122-R176 PolarHBondContact O-NH1 3.31Å; V124-R176 PolarHBondContact O-NH2 2.96Å; V124-R176 VanDerWaalsContact O-NH2 3.14Å; I127-R176 HydrophobicContact CD1-CB 4.4Å; I127-R176 VanDerWaalsContact CD1-O 3.28Å; I127-R176 WeakPolarHBondContact CD1-O 3.2Å; V172-R176 WeakPolarHBondContact O-CG 3.49Å; V172-R176 PolarHBondContact O-N 3.44Å; V172-R176 VanDerWaalsContact O-N 3.07Å; V173-R176 WeakPolarHBondContact O-CB 3.33Å; V173-R176 PolarHBondContact O-N 3.49Å; M174-R176 VanDerWaalsContact C-N 3.34Å; M174-R176 PolarHBondContact O-N 3.35Å; R176-T178 PolarHBondContact O-N 3.23Å; R176-G179 PolarHBondContact O-N 3.28Å
177I96.7Very high95.6Very high46 Ų4644.2 Ų44.224%0.23623%0.234CC..Hα-helixtrans-59-37.7175.6-66.1165.9000111I121 V132 Y135 V173 M174 G179I121-I177 HydrophobicContact CD1-CD1 4.17Å; I121-I177 HydrophobicContact CD1-CG1 4.33Å; I121-I177 HydrophobicContact CG2-CG1 3.91Å; V132-I177 HydrophobicContact CG1-CD1 4.1Å; V132-I177 HydrophobicContact CG1-CG1 4.26Å; V132-I177 HydrophobicContact CG1-CG2 3.85Å; V132-I177 HydrophobicContact CG2-CG1 4.14Å; Y135-I177 HydrophobicContact CD1-CD1 4.19Å; V173-I177 HydrophobicContact CG1-CD1 4.11Å; V173-I177 WeakPolarHBondContact O-CG1 3.32Å; V173-I177 PolarHBondContact O-N 2.89Å; M174-I177 PolarHBondContact O-N 2.75Å; M174-I177 HydrophobicContact SD-CD1 3.82Å; I177-G179 VanDerWaalsContact C-N 3.35Å
178T95.1Very high95.4Very high95 Ų9544.8 Ų44.858%0.58324%0.237SC*.THydrogen-bonded Turntrans-89.43-177.752.50000114M174 G175 R176 K180M174-T178 WeakPolarHBondContact O-CG2 3.35Å; M174-T178 PolarHBondContact O-N 3.02Å; M174-T178 PolarHBondContact O-OG1 3.14Å; G175-T178 CarbonylContact O-C 3.59Å; G175-T178 PolarHBondContact O-N 2.98Å; G175-T178 PolarHBondContact O-OG1 3.29Å; G175-T178 VanDerWaalsContact O-OG1 3.09Å; R176-T178 PolarHBondContact O-N 3.23Å; T178-K180 VanDerWaalsContact C-N 3.34Å
179G93.7Very high95.2Very high63 Ų6346.5 Ų46.565%0.64926%0.256SS*.THydrogen-bonded Turntrans76.115.6177.600000115.1G175 R176 I177G175-G179 PolarHBondContact O-N 3.31Å; G175-G179 VanDerWaalsContact O-N 3.11Å; R176-G179 PolarHBondContact O-N 3.28Å; I177-G179 VanDerWaalsContact C-N 3.35Å
180K94.9Very high95Very high80 Ų8052.3 Ų52.335%0.34829%0.292SS..  trans-65.9140.8175.6-67.6-174.1-177.4-1790111.1G175 T178 E184 I185G175-K180 WeakPolarHBondContact O-CB 3.49Å; G175-K180 PolarHBondContact O-N 2.97Å; T178-K180 VanDerWaalsContact C-N 3.34Å; K180-E184 WeakPolarHBondContact CA-OE2 3.33Å; K180-E184 HydrophobicContact CB-CB 4.11Å; K180-E184 HydrophobicContact CG-CB 4.45Å; K180-I185 HydrophobicContact CB-CG1 4.09Å
181K93.4Very high94.8Very high118 Ų11859.1 Ų59.151%0.51333%0.329SS..  trans-71.2156.2167.1-60.8-179.3-176172.60110.6E183 E184 I185K181-E183 HydrophobicContact CB-CG 4.3Å; K181-E183 VanDerWaalsContact CD-OE1 3.27Å; K181-E183 WeakPolarHBondContact CD-OE1 3.33Å; K181-E183 PolarHBondContact O-N 3.01Å; K181-E183 VanDerWaalsContact O-N 3.16Å; K181-E184 HydrophobicContact CB-CG 4.18Å; K181-E184 PolarHBondContact N-OE2 3.41Å; K181-E184 WeakPolarHBondContact O-CB 3.39Å; K181-E184 PolarHBondContact O-N 3.33Å; K181-I185 PolarHBondContact O-N 2.72Å
182P92.9Very high94.7Very high41 Ų4161.1 Ų61.127%0.26634%0.339SS..G310 helixtrans-51.9-39.3-179.7-28.436.7000114.5E184 I185 A225 A229P182-E184 VanDerWaalsContact C-N 3.27Å; P182-E184 PolarHBondContact O-N 3.35Å; P182-I185 PolarHBondContact O-N 2.84Å; P182-A225 HydrophobicContact CB-CB 4.1Å; P182-A229 HydrophobicContact CB-CB 4.43Å; P182-A229 HydrophobicContact CG-CB 3.47Å; P182-A229 VanDerWaalsContact CG-CB 3.47Å
183E94.3Very high94.7Very high138 Ų13866.9 Ų66.965%0.64537%0.367SS*.G310 helixtrans-71-16.7177.961.7-89-156.300114.3K181K181-E183 HydrophobicContact CB-CG 4.3Å; K181-E183 VanDerWaalsContact CD-OE1 3.27Å; K181-E183 WeakPolarHBondContact CD-OE1 3.33Å; K181-E183 PolarHBondContact O-N 3.01Å; K181-E183 VanDerWaalsContact O-N 3.16Å
184E94.6Very high94.7Very high91 Ų9168.2 Ų68.243%0.42537%0.373SS..G310 helixtrans-92.1-10.5177.5-61.9170.4158.400112.1K180 K181 P182 N186K180-E184 WeakPolarHBondContact CA-OE2 3.33Å; K180-E184 HydrophobicContact CB-CB 4.11Å; K180-E184 HydrophobicContact CG-CB 4.45Å; K181-E184 HydrophobicContact CB-CG 4.18Å; K181-E184 PolarHBondContact N-OE2 3.41Å; K181-E184 WeakPolarHBondContact O-CB 3.39Å; K181-E184 PolarHBondContact O-N 3.33Å; P182-E184 VanDerWaalsContact C-N 3.27Å; P182-E184 PolarHBondContact O-N 3.35Å; E184-N186 PolarHBondContact O-N 3.31Å; E184-N186 PolarHBondContact O-ND2 2.91Å; E184-N186 VanDerWaalsContact O-ND2 3.16Å
185I95Very high94.7Very high7 Ų770 Ų704%0.03638%0.38CS..  trans-80.6115.1179.4-61.2177.4000108.9E171 V172 K180 K181 P182 Y221 A225E171-I185 HydrophobicContact CB-CG2 4.19Å; V172-I185 HydrophobicContact CG2-CG2 4.34Å; K180-I185 HydrophobicContact CB-CG1 4.09Å; K181-I185 PolarHBondContact O-N 2.72Å; P182-I185 PolarHBondContact O-N 2.84Å; I185-Y221 HydrophobicContact CG2-CD2 4.41Å; I185-Y221 VanDerWaalsContact O-CE2 3.32Å; I185-Y221 WeakPolarHBondContact O-CE2 3.06Å; I185-A225 HydrophobicContact CB-CB 4.38Å; I185-A225 HydrophobicContact CD1-CB 3.98Å
186N93.7Very high94.7Very high91 Ų9176.3 Ų76.349%0.48741%0.406SS..  trans-129.4161.9179.8-68.5-73.2000110.1E184E184-N186 PolarHBondContact O-N 3.31Å; E184-N186 PolarHBondContact O-ND2 2.91Å; E184-N186 VanDerWaalsContact O-ND2 3.16Å
187E92.9Very high94.8Very high94 Ų9478.9 Ų78.944%0.43942%0.42SS..PPolyproline II helixtrans-52.8142.1163.4-92.3174.9-132.800110.4G189 Y221E187-G189 PolarHBondContact O-N 3.49Å; E187-Y221 HydrophobicContact CB-CE1 4.21Å; E187-Y221 HydrophobicContact CG-CD1 3.89Å; E187-Y221 HydrophobicContact CG-CE1 3.52Å; E187-Y221 PolarHBondContact N-OH 2.88Å; E187-Y221 WeakPolarHBondContact OE1-CE1 3.37Å
188L94.3Very high94.8Very high12 Ų1276.9 Ų76.96%0.06341%0.41CS..PPolyproline II helixtrans-64.9123.7-177-60-178.3000110.4F170 E171 D192 L194 R195 T202F170-L188 HydrophobicContact CD1-CD1 4.1Å; F170-L188 HydrophobicContact CE1-CD1 3.7Å; E171-L188 HydrophobicContact CG-CD2 4.03Å; E171-L188 HydrophobicContact CG-CG 3.81Å; L188-D192 HydrophobicContact CB-CB 4.1Å; L188-D192 HydrophobicContact CD2-CB 4.48Å; L188-L194 HydrophobicContact CD1-CB 3.73Å; L188-L194 HydrophobicContact CD1-CD1 4.36Å; L188-L194 HydrophobicContact CD2-CD1 4.03Å; L188-R195 HydrophobicContact CB-CG 4.02Å; L188-R195 HydrophobicContact CD1-CG 4.21Å; L188-R195 PolarHBondContact O-NE 2.68Å; L188-R195 PolarHBondContact O-NH2 2.89Å; L188-T202 HydrophobicContact CD1-CG2 3.85Å
189G93.2Very high94.9Very high43 Ų4375.1 Ų75.144%0.44340%0.401SS..PPolyproline II helixtrans-62.7157.9172.400000111.6E187 N191 D192 R195E187-G189 PolarHBondContact O-N 3.49Å; G189-N191 PolarHBondContact O-N 3.48Å; G189-D192 VanDerWaalsContact O-CB 3.29Å; G189-D192 WeakPolarHBondContact O-CB 3.48Å; G189-D192 PolarHBondContact O-N 3.07Å; G189-R195 WeakPolarHBondContact O-CD 3.21Å; G189-R195 PolarHBondContact O-NE 3.25Å
190V91.9Very high95.2Very high129 Ų12976 Ų7678%0.78239%0.387SS*.THydrogen-bonded Turntrans-54.5-32.1-175.4177.30000113.1
191N93.4Very high95.3Very high142 Ų14272.2 Ų72.276%0.75937%0.371SS*.THydrogen-bonded Turntrans-99.28.8-177.6-61.9-34000114G189G189-N191 PolarHBondContact O-N 3.48Å
192D95.4Very high95.6Very high49 Ų4966.9 Ų66.926%0.26235%0.348SS..  trans-65.9135.4-179.3-164.2-65.9000111L188 G189 L194 R195L188-D192 HydrophobicContact CB-CB 4.1Å; L188-D192 HydrophobicContact CD2-CB 4.48Å; G189-D192 VanDerWaalsContact O-CB 3.29Å; G189-D192 WeakPolarHBondContact O-CB 3.48Å; G189-D192 PolarHBondContact O-N 3.07Å; D192-L194 PolarHBondContact O-N 3.1Å; D192-L194 WeakPolarHBondContact OD1-CB 3.39Å; D192-L194 PolarHBondContact OD1-N 3.38Å; D192-R195 HydrophobicContact CB-CG 4.48Å; D192-R195 WeakPolarHBondContact O-CB 3.4Å; D192-R195 PolarHBondContact O-N 2.86Å
193E96Very high95.8Very high122 Ų12269.9 Ų69.957%0.5736%0.359SS*.Hα-helixtrans-61.7-28.9-178.1-66.2-58.3136.500112.5R195 K196 E197E193-R195 PolarHBondContact O-N 2.96Å; E193-K196 WeakPolarHBondContact O-CB 3.42Å; E193-K196 PolarHBondContact O-N 3.14Å; E193-K196 IonicContact OE1-NZ 3.31Å; E193-K196 PolarHBondContact OE1-NZ 3.35Å; E193-K196 WeakPolarHBondContact OE2-CD 3.42Å; E193-K196 IonicContact OE2-NZ 3.48Å; E193-K196 PolarHBondContact OE2-NZ 3.32Å; E193-E197 PolarHBondContact O-N 2.98Å
194L97.1Very high96Very high27 Ų2763.4 Ų63.414%0.14133%0.328CS..Hα-helixtrans-64.6-26.9174.7-68.5172.6000112.4F170 M174 L188 D192 K196 F198F170-L194 HydrophobicContact CE1-CB 4.37Å; M174-L194 HydrophobicContact CB-CD1 3.74Å; M174-L194 HydrophobicContact CE-CD2 4.32Å; M174-L194 HydrophobicContact CG-CD1 3.96Å; M174-L194 HydrophobicContact CG-CD2 4.48Å; M174-L194 HydrophobicContact SD-CD2 4.24Å; L188-L194 HydrophobicContact CD1-CB 3.73Å; L188-L194 HydrophobicContact CD1-CD1 4.36Å; L188-L194 HydrophobicContact CD2-CD1 4.03Å; D192-L194 PolarHBondContact O-N 3.1Å; D192-L194 WeakPolarHBondContact OD1-CB 3.39Å; D192-L194 PolarHBondContact OD1-N 3.38Å; L194-K196 VanDerWaalsContact C-N 3.34Å; L194-F198 HydrophobicContact CD2-CD2 4.26Å; L194-F198 HydrophobicContact CD2-CE2 4.06Å; L194-F198 PolarHBondContact O-N 2.86Å
195R97.5Very high96.1Very high43 Ų4359.1 Ų59.116%0.16231%0.308CS..Hα-helixtrans-72-28.5172.6-69.7-169.9169.6-90.70.6112.3L188 G189 D192 E193 S199 T202 D206L188-R195 HydrophobicContact CB-CG 4.02Å; L188-R195 HydrophobicContact CD1-CG 4.21Å; L188-R195 PolarHBondContact O-NE 2.68Å; L188-R195 PolarHBondContact O-NH2 2.89Å; G189-R195 WeakPolarHBondContact O-CD 3.21Å; G189-R195 PolarHBondContact O-NE 3.25Å; D192-R195 HydrophobicContact CB-CG 4.48Å; D192-R195 WeakPolarHBondContact O-CB 3.4Å; D192-R195 PolarHBondContact O-N 2.86Å; E193-R195 PolarHBondContact O-N 2.96Å; R195-S199 WeakPolarHBondContact O-CA 3.39Å; R195-S199 WeakPolarHBondContact O-CB 3.42Å; R195-S199 PolarHBondContact O-N 3.34Å; R195-T202 HydrophobicContact CG-CG2 4.21Å; R195-D206 IonicContact CZ-OD1 2.65Å; R195-D206 IonicContact CZ-OD2 2.96Å; R195-D206 IonicContact NH1-OD1 3.48Å; R195-D206 IonicContact NH1-OD2 3.81Å; R195-D206 PolarHBondContact NH1-OD2 3.01Å; R195-D206 IonicContact NH2-OD1 3.58Å; R195-D206 PolarHBondContact NH2-OD1 3.33Å; R195-D206 IonicContact NH2-OD2 3.67Å; R195-D206 PolarHBondContact NH2-OD2 3.45Å
196K96.3Very high96.2Very high135 Ų13560.4 Ų60.459%0.58732%0.315SS*.Hα-helixtrans-75.6-41.5173.8-61-179.1-166.9158.50110.9E193 L194E193-K196 WeakPolarHBondContact O-CB 3.42Å; E193-K196 PolarHBondContact O-N 3.14Å; E193-K196 IonicContact OE1-NZ 3.31Å; E193-K196 PolarHBondContact OE1-NZ 3.35Å; E193-K196 WeakPolarHBondContact OE2-CD 3.42Å; E193-K196 IonicContact OE2-NZ 3.48Å; E193-K196 PolarHBondContact OE2-NZ 3.32Å; L194-K196 VanDerWaalsContact C-N 3.34Å
197E97.5Very high96.4Very high91 Ų9157.3 Ų57.343%0.42530%0.3SS..Hα-helixtrans-69.1-43.7-179.8-171.8179.7-174.400112.6R136 E193R136-E197 IonicContact CZ-OE1 2.69Å; R136-E197 IonicContact CZ-OE2 2.61Å; R136-E197 IonicContact NE-OE1 3.67Å; R136-E197 IonicContact NH1-OE2 3.54Å; R136-E197 IonicContact NH2-OE1 2.68Å; R136-E197 PolarHBondContact NH2-OE1 3.41Å; R136-E197 IonicContact NH2-OE2 3.99Å; R136-E197 PolarHBondContact NH2-OE2 3.43Å; E193-E197 PolarHBondContact O-N 2.98Å
198F98Very high96.7Very high3 Ų352.8 Ų52.81%0.01328%0.279CS..THydrogen-bonded Turntrans-119.453.8-177.5-54.1-75.6000111C139 N143 F170 M174 L194 K200 L201 T202C139-F198 HydrophobicContact CB-CD1 3.84Å; C139-F198 HydrophobicContact CB-CE1 3.52Å; C139-F198 HydrophobicContact CB-CZ 4.05Å; N143-F198 HydrophobicContact CB-CD1 4.41Å; N143-F198 WeakPolarHBondContact OD1-CA 3.37Å; F170-F198 HydrophobicContact CE2-CD2 4.17Å; F170-F198 HydrophobicContact CE2-CG 4.45Å; F170-F198 HydrophobicContact CZ-CB 4.26Å; F170-F198 AromaticContact CZ-CD2 3.59Å; F170-F198 HydrophobicContact CZ-CD2 3.59Å; F170-F198 HydrophobicContact CZ-CE2 4.18Å; F170-F198 HydrophobicContact CZ-CG 4.09Å; M174-F198 HydrophobicContact CE-CD2 4.25Å; M174-F198 HydrophobicContact CE-CE2 3.56Å; M174-F198 HydrophobicContact CE-CZ 4.02Å; L194-F198 HydrophobicContact CD2-CD2 4.26Å; L194-F198 HydrophobicContact CD2-CE2 4.06Å; L194-F198 PolarHBondContact O-N 2.86Å; F198-K200 PolarHBondContact O-N 3.09Å; F198-L201 HydrophobicContact CB-CB 4.1Å; F198-L201 PolarHBondContact O-N 3.45Å; F198-T202 HydrophobicContact CB-CG2 4.5Å; F198-T202 WeakPolarHBondContact O-CG2 3.41Å; F198-T202 PolarHBondContact O-N 3.49Å; F198-T202 PolarHBondContact O-OG1 3.2Å
199S97.8Very high96.8Very high59 Ų5953.8 Ų53.841%0.41328%0.282SS..Hα-helixtrans-55.5-54.6-172.455.60000114N143 R195 L201 T202 E203N143-S199 PolarHBondContact OD1-N 3.42Å; R195-S199 WeakPolarHBondContact O-CA 3.39Å; R195-S199 WeakPolarHBondContact O-CB 3.42Å; R195-S199 PolarHBondContact O-N 3.34Å; S199-L201 VanDerWaalsContact C-N 3.34Å; S199-L201 PolarHBondContact O-N 2.92Å; S199-T202 PolarHBondContact O-N 2.9Å; S199-T202 PolarHBondContact O-OG1 3.49Å; S199-T202 VanDerWaalsContact O-OG1 3.09Å; S199-E203 WeakPolarHBondContact O-CB 3.22Å; S199-E203 PolarHBondContact O-N 2.94Å
200K98.5Very high97Very high82 Ų8259.3 Ų59.336%0.35729%0.293SS..Hα-helixtrans-66-36.8-180-67.2173.7164.8-164.20112.4N143 I146 F198 F204N143-K200 WeakPolarHBondContact O-CB 3.37Å; N143-K200 WeakPolarHBondContact O-CD 3.34Å; N143-K200 WeakPolarHBondContact OD1-CB 3.07Å; N143-K200 PolarHBondContact OD1-N 2.98Å; I146-K200 HydrophobicContact CB-CB 4.08Å; I146-K200 HydrophobicContact CG2-CB 4.03Å; I146-K200 WeakPolarHBondContact O-CD 3.33Å; I146-K200 PolarHBondContact O-NZ 3.06Å; F198-K200 PolarHBondContact O-N 3.09Å; K200-F204 VanDerWaalsContact O-CB 3.22Å; K200-F204 WeakPolarHBondContact O-CB 3.44Å; K200-F204 PolarHBondContact O-N 2.84Å
201L98.5Very high97.3Very high0 Ų055.7 Ų55.70%027%0.268CS..Hα-helixtrans-66.4-45.1177.5-177.5162.3000111.2C139 I142 N143 I146 L167 F170 F198 S199 F204 L205C139-L201 HydrophobicContact CB-CD1 3.97Å; I142-L201 HydrophobicContact CG2-CD1 4.27Å; N143-L201 HydrophobicContact CB-CB 4.17Å; N143-L201 PolarHBondContact OD1-N 2.89Å; N143-L201 VanDerWaalsContact OD1-N 3.12Å; I146-L201 HydrophobicContact CD1-CB 4.27Å; L167-L201 HydrophobicContact CD2-CD1 3.9Å; L167-L201 HydrophobicContact CD2-CG 4.25Å; F170-L201 HydrophobicContact CD1-CD2 4.42Å; F170-L201 HydrophobicContact CD2-CD2 3.92Å; F170-L201 HydrophobicContact CE1-CD2 4.49Å; F170-L201 HydrophobicContact CE2-CD1 4.42Å; F170-L201 HydrophobicContact CE2-CD2 4.01Å; F170-L201 HydrophobicContact CG-CD2 4.13Å; F170-L201 HydrophobicContact CZ-CD2 4.31Å; F198-L201 HydrophobicContact CB-CB 4.1Å; F198-L201 PolarHBondContact O-N 3.45Å; S199-L201 VanDerWaalsContact C-N 3.34Å; S199-L201 PolarHBondContact O-N 2.92Å; L201-F204 WeakPolarHBondContact O-CB 3.48Å; L201-F204 PolarHBondContact O-N 3.41Å; L201-L205 HydrophobicContact CD2-CD1 3.75Å; L201-L205 HydrophobicContact CD2-CG 4.22Å; L201-L205 WeakPolarHBondContact O-CG 3.08Å; L201-L205 PolarHBondContact O-N 3.22Å
202T98Very high97.5Very high6 Ų653.1 Ų53.14%0.03726%0.259CS..Hα-helixtrans-70.2-36.3179.355.90000112F170 L188 R195 F198 S199 L205 D206F170-T202 HydrophobicContact CE1-CG2 4.04Å; L188-T202 HydrophobicContact CD1-CG2 3.85Å; R195-T202 HydrophobicContact CG-CG2 4.21Å; F198-T202 HydrophobicContact CB-CG2 4.5Å; F198-T202 WeakPolarHBondContact O-CG2 3.41Å; F198-T202 PolarHBondContact O-N 3.49Å; F198-T202 PolarHBondContact O-OG1 3.2Å; S199-T202 PolarHBondContact O-N 2.9Å; S199-T202 PolarHBondContact O-OG1 3.49Å; S199-T202 VanDerWaalsContact O-OG1 3.09Å; T202-L205 WeakPolarHBondContact O-CB 3.43Å; T202-L205 PolarHBondContact O-N 3.3Å; T202-D206 VanDerWaalsContact O-CG 3.32Å; T202-D206 PolarHBondContact O-N 2.97Å
203E97.8Very high97.7Very high104 Ų10451.6 Ų51.649%0.48625%0.25SS..Hα-helixtrans-63.7-40.6170.4-175.1178.8-179.300112.3S199 L205 D206 T207S199-E203 WeakPolarHBondContact O-CB 3.22Å; S199-E203 PolarHBondContact O-N 2.94Å; E203-L205 VanDerWaalsContact C-N 3.35Å; E203-L205 PolarHBondContact O-N 3.47Å; E203-D206 PolarHBondContact O-N 3.35Å; E203-T207 WeakPolarHBondContact O-CB 3.47Å; E203-T207 PolarHBondContact O-N 3.17Å; E203-T207 PolarHBondContact O-OG1 3.36Å
204F98.6Very high97.8Very high1 Ų145.8 Ų45.80%0.00422%0.223CC..Hα-helixtrans-59.8-43.8172.8168.2-96.3000111.7I146 D160 L163 F164 L167 K200 L201 T207 M208I146-F204 HydrophobicContact CD1-CB 3.93Å; I146-F204 HydrophobicContact CD1-CG 4.23Å; D160-F204 HydrophobicContact CB-CE2 4.07Å; D160-F204 HydrophobicContact CB-CZ 4.22Å; D160-F204 VanDerWaalsContact OD1-CE2 3.23Å; D160-F204 WeakPolarHBondContact OD1-CE2 3.32Å; L163-F204 HydrophobicContact CB-CZ 4.44Å; F164-F204 HydrophobicContact CB-CE1 4.07Å; F164-F204 HydrophobicContact CB-CZ 4.01Å; F164-F204 HydrophobicContact CD2-CE1 4.27Å; L167-F204 HydrophobicContact CD1-CD1 3.97Å; L167-F204 HydrophobicContact CD1-CE1 3.76Å; K200-F204 VanDerWaalsContact O-CB 3.22Å; K200-F204 WeakPolarHBondContact O-CB 3.44Å; K200-F204 PolarHBondContact O-N 2.84Å; L201-F204 WeakPolarHBondContact O-CB 3.48Å; L201-F204 PolarHBondContact O-N 3.41Å; F204-T207 PolarHBondContact O-N 3.1Å; F204-M208 HydrophobicContact CD1-CG 4.46Å; F204-M208 HydrophobicContact CD2-CG 4.1Å; F204-M208 HydrophobicContact CE1-CG 3.97Å; F204-M208 HydrophobicContact CE2-CG 3.55Å; F204-M208 HydrophobicContact CE2-SD 4.19Å; F204-M208 HydrophobicContact CZ-CG 3.49Å; F204-M208 VanDerWaalsContact CZ-CG 3.49Å; F204-M208 HydrophobicContact CZ-SD 4.3Å; F204-M208 WeakPolarHBondContact O-CB 3.45Å; F204-M208 WeakPolarHBondContact O-CG 3.39Å; F204-M208 PolarHBondContact O-N 2.94Å
205L97.7Very high97.7Very high1 Ų147.2 Ų47.21%0.00524%0.239CC..Hα-helixtrans-61.1-47.1176-74.3177.1000111.9F164 L167 F170 L201 T202 E203 T207 M208 R209F164-L205 HydrophobicContact CD2-CD2 4.13Å; F164-L205 HydrophobicContact CE2-CD2 4.13Å; L167-L205 HydrophobicContact CB-CD2 3.79Å; L167-L205 WeakPolarHBondContact O-CD2 3.09Å; F170-L205 HydrophobicContact CB-CD1 3.82Å; F170-L205 HydrophobicContact CD1-CD1 4.31Å; F170-L205 HydrophobicContact CG-CD1 4.24Å; L201-L205 HydrophobicContact CD2-CD1 3.75Å; L201-L205 HydrophobicContact CD2-CG 4.22Å; L201-L205 WeakPolarHBondContact O-CG 3.08Å; L201-L205 PolarHBondContact O-N 3.22Å; T202-L205 WeakPolarHBondContact O-CB 3.43Å; T202-L205 PolarHBondContact O-N 3.3Å; E203-L205 VanDerWaalsContact C-N 3.35Å; E203-L205 PolarHBondContact O-N 3.47Å; L205-T207 VanDerWaalsContact C-N 3.28Å; L205-T207 PolarHBondContact O-N 3.38Å; L205-M208 PolarHBondContact O-N 2.98Å; L205-R209 WeakPolarHBondContact O-CB 3.25Å; L205-R209 VanDerWaalsContact O-CG 3.22Å; L205-R209 WeakPolarHBondContact O-CG 3.3Å; L205-R209 PolarHBondContact O-N 2.93Å
206D97Very high97.6Very high35 Ų3551.2 Ų51.219%0.18726%0.263CS..Hα-helixtrans-59.8-42.4177.1-66.4-20.8000111R195 T202 E203 K210R195-D206 IonicContact CZ-OD1 2.65Å; R195-D206 IonicContact CZ-OD2 2.96Å; R195-D206 IonicContact NH1-OD1 3.48Å; R195-D206 IonicContact NH1-OD2 3.81Å; R195-D206 PolarHBondContact NH1-OD2 3.01Å; R195-D206 IonicContact NH2-OD1 3.58Å; R195-D206 PolarHBondContact NH2-OD1 3.33Å; R195-D206 IonicContact NH2-OD2 3.67Å; R195-D206 PolarHBondContact NH2-OD2 3.45Å; T202-D206 VanDerWaalsContact O-CG 3.32Å; T202-D206 PolarHBondContact O-N 2.97Å; E203-D206 PolarHBondContact O-N 3.35Å; D206-K210 WeakPolarHBondContact O-CD 3.4Å; D206-K210 WeakPolarHBondContact O-CG 3.47Å; D206-K210 PolarHBondContact O-N 3.49Å
207T98.1Very high97.6Very high25 Ų2546 Ų4615%0.15324%0.242CC..Hα-helixtrans-64.6-48.9179.7-60.20000111.2P149 Y150 E203 F204 L205 K210P149-T207 HydrophobicContact CB-CG2 4.05Å; P149-T207 HydrophobicContact CG-CG2 4.36Å; Y150-T207 HydrophobicContact CD1-CG2 4.25Å; Y150-T207 HydrophobicContact CE1-CG2 3.63Å; Y150-T207 HydrophobicContact CE2-CG2 4.13Å; E203-T207 WeakPolarHBondContact O-CB 3.47Å; E203-T207 PolarHBondContact O-N 3.17Å; E203-T207 PolarHBondContact O-OG1 3.36Å; F204-T207 PolarHBondContact O-N 3.1Å; L205-T207 VanDerWaalsContact C-N 3.28Å; L205-T207 PolarHBondContact O-N 3.38Å; T207-K210 PolarHBondContact O-N 3.43Å
208M98.3Very high97.5Very high0 Ų043.1 Ų43.10%023%0.231CC..Hα-helixtrans-65.2-44.3179.4-76-63.6-72.200112.1Y150 V156 D160 F164 F204 L205 K210 Q211 F213 V214Y150-M208 HydrophobicContact CD1-SD 3.82Å; Y150-M208 HydrophobicContact CE1-SD 3.73Å; V156-M208 HydrophobicContact CG2-SD 4.41Å; D160-M208 HydrophobicContact CB-CE 4.14Å; D160-M208 HydrophobicContact CB-SD 4.05Å; F164-M208 HydrophobicContact CB-CE 3.72Å; F164-M208 HydrophobicContact CB-CG 4.34Å; F164-M208 HydrophobicContact CD1-CE 4.21Å; F164-M208 HydrophobicContact CD2-CB 3.31Å; F164-M208 HydrophobicContact CD2-CE 4.32Å; F164-M208 HydrophobicContact CD2-CG 3.79Å; F164-M208 HydrophobicContact CE2-CB 3.52Å; F164-M208 HydrophobicContact CE2-CG 4.48Å; F164-M208 HydrophobicContact CG-CB 4.01Å; F164-M208 HydrophobicContact CG-CE 3.8Å; F164-M208 HydrophobicContact CG-CG 4.2Å; F164-M208 HydrophobicContact CZ-CB 4.38Å; F204-M208 HydrophobicContact CD1-CG 4.46Å; F204-M208 HydrophobicContact CD2-CG 4.1Å; F204-M208 HydrophobicContact CE1-CG 3.97Å; F204-M208 HydrophobicContact CE2-CG 3.55Å; F204-M208 HydrophobicContact CE2-SD 4.19Å; F204-M208 HydrophobicContact CZ-CG 3.49Å; F204-M208 VanDerWaalsContact CZ-CG 3.49Å; F204-M208 HydrophobicContact CZ-SD 4.3Å; F204-M208 WeakPolarHBondContact O-CB 3.45Å; F204-M208 WeakPolarHBondContact O-CG 3.39Å; F204-M208 PolarHBondContact O-N 2.94Å; L205-M208 PolarHBondContact O-N 2.98Å; M208-K210 PolarHBondContact O-N 2.91Å; M208-Q211 VanDerWaalsContact O-CB 3.32Å; M208-Q211 WeakPolarHBondContact O-CB 3.28Å; M208-Q211 PolarHBondContact O-N 3.34Å; M208-F213 HydrophobicContact CE-CZ 4.2Å; M208-V214 HydrophobicContact CE-CG2 3.87Å; M208-V214 VanDerWaalsContact O-CB 3.23Å; M208-V214 WeakPolarHBondContact O-CB 3.5Å; M208-V214 WeakPolarHBondContact O-CG1 3.41Å; M208-V214 VanDerWaalsContact O-CG2 3.29Å; M208-V214 WeakPolarHBondContact O-CG2 3.27Å
209R96.9Very high97.3Very high33 Ų3343.4 Ų43.413%0.12523%0.233CC..Hα-helixtrans-62.5-27.1-179.7-73.2169.3178.9162.1-2.7113.2F164 H168 E171 L205 Q211F164-R209 HydrophobicContact CE2-CG 4.04Å; F164-R209 HydrophobicContact CZ-CG 4.18Å; H168-R209 PolarHBondContact ND1-NE 3.25Å; H168-R209 VanDerWaalsContact ND1-NE 3.13Å; H168-R209 PolarHBondContact O-NH2 2.96Å; H168-R209 VanDerWaalsContact O-NH2 3.14Å; E171-R209 IonicContact OE1-CZ 3.5Å; E171-R209 IonicContact OE1-NH1 3.12Å; E171-R209 PolarHBondContact OE1-NH1 3.37Å; E171-R209 IonicContact OE1-NH2 3.56Å; E171-R209 PolarHBondContact OE1-NH2 3.47Å; E171-R209 IonicContact OE2-CZ 3.88Å; E171-R209 IonicContact OE2-NH1 2.94Å; E171-R209 IonicContact OE2-NH2 2.78Å; E171-R209 PolarHBondContact OE2-NH2 3.16Å; L205-R209 WeakPolarHBondContact O-CB 3.25Å; L205-R209 VanDerWaalsContact O-CG 3.22Å; L205-R209 WeakPolarHBondContact O-CG 3.3Å; L205-R209 PolarHBondContact O-N 2.93Å; R209-Q211 VanDerWaalsContact C-N 3.3Å
210K96.9Very high97Very high159 Ų15943.5 Ų43.569%0.69123%0.232SC*.THydrogen-bonded Turntrans-75.4-15.1174.9-72167.1-171.4168.80113.7D206 T207 M208D206-K210 WeakPolarHBondContact O-CD 3.4Å; D206-K210 WeakPolarHBondContact O-CG 3.47Å; D206-K210 PolarHBondContact O-N 3.49Å; T207-K210 PolarHBondContact O-N 3.43Å; M208-K210 PolarHBondContact O-N 2.91Å
211Q98.2Very high96.6Very high53 Ų5341.6 Ų41.625%0.24822%0.223CC..SBendtrans-72.1129.4179.8-66-58.4-4600111Y150 M208 R209 F213 V214 A215Y150-Q211 PolarHBondContact OH-NE2 3.4Å; M208-Q211 VanDerWaalsContact O-CB 3.32Å; M208-Q211 WeakPolarHBondContact O-CB 3.28Å; M208-Q211 PolarHBondContact O-N 3.34Å; R209-Q211 VanDerWaalsContact C-N 3.3Å; Q211-F213 VanDerWaalsContact C-N 3.29Å; Q211-F213 HydrophobicContact CB-CD1 3.71Å; Q211-F213 HydrophobicContact CB-CE1 3.51Å; Q211-F213 HydrophobicContact CB-CZ 4.32Å; Q211-F213 HydrophobicContact CG-CD1 4.45Å; Q211-F213 HydrophobicContact CG-CE1 3.83Å; Q211-F213 PolarHBondContact O-N 3.41Å; Q211-V214 HydrophobicContact CB-CB 4.18Å; Q211-V214 HydrophobicContact CB-CG2 3.84Å; Q211-V214 WeakPolarHBondContact O-CB 3.23Å; Q211-V214 PolarHBondContact O-N 3.23Å; Q211-A215 PolarHBondContact O-N 2.96Å
212P98.1Very high96.3Very high88 Ų8848.7 Ų48.757%0.57125%0.25SC*.Hα-helixtrans-56-40.9-179.5-28.335.3000113.5V214 A215 N216P212-V214 PolarHBondContact O-N 3.23Å; P212-A215 PolarHBondContact O-N 3.3Å; P212-N216 WeakPolarHBondContact O-CB 3.41Å; P212-N216 PolarHBondContact O-N 3.5Å; P212-N216 PolarHBondContact O-ND2 3.19Å; P212-N216 PolarHBondContact O-OD1 3.09Å
213F98.1Very high96.2Very high17 Ų1748.6 Ų48.68%0.07525%0.249CC..Hα-helixtrans-66.3-22.8179.879.4-89.6000113.1L33 S36 Y37 V156 L161 M208 Q211 V217L33-F213 HydrophobicContact CB-CE2 4.41Å; L33-F213 HydrophobicContact CD2-CD2 4.19Å; L33-F213 HydrophobicContact CD2-CE2 4.13Å; S36-F213 VanDerWaalsContact CB-O 3.3Å; S36-F213 WeakPolarHBondContact CB-O 3.41Å; S36-F213 VanDerWaalsContact OG-CA 3.26Å; S36-F213 WeakPolarHBondContact OG-CA 3.34Å; S36-F213 PolarHBondContact OG-O 2.93Å; Y37-F213 AromaticContact CD2-CD1 3.81Å; Y37-F213 HydrophobicContact CD2-CD1 3.81Å; Y37-F213 HydrophobicContact CD2-CD2 4.28Å; Y37-F213 AromaticContact CD2-CE1 3.85Å; Y37-F213 HydrophobicContact CD2-CE1 3.85Å; Y37-F213 HydrophobicContact CD2-CE2 4.32Å; Y37-F213 HydrophobicContact CD2-CG 4.04Å; Y37-F213 HydrophobicContact CD2-CZ 4.13Å; Y37-F213 HydrophobicContact CE2-CE1 4.45Å; V156-F213 HydrophobicContact CG2-CE1 4.48Å; V156-F213 HydrophobicContact CG2-CZ 4.08Å; L161-F213 HydrophobicContact CD1-CE2 4.05Å; L161-F213 HydrophobicContact CD1-CZ 4.2Å; M208-F213 HydrophobicContact CE-CZ 4.2Å; Q211-F213 VanDerWaalsContact C-N 3.29Å; Q211-F213 HydrophobicContact CB-CD1 3.71Å; Q211-F213 HydrophobicContact CB-CE1 3.51Å; Q211-F213 HydrophobicContact CB-CZ 4.32Å; Q211-F213 HydrophobicContact CG-CD1 4.45Å; Q211-F213 HydrophobicContact CG-CE1 3.83Å; Q211-F213 PolarHBondContact O-N 3.41Å; F213-V217 WeakPolarHBondContact O-CG2 3.45Å
214V98.4Very high96Very high0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-82.7-50.9175.1175.30000110.1L33 F164 M208 Q211 P212 N216 V217 T218L33-V214 HydrophobicContact CD2-CB 4.18Å; L33-V214 HydrophobicContact CD2-CG1 4.33Å; L33-V214 HydrophobicContact CD2-CG2 3.83Å; F164-V214 HydrophobicContact CD1-CG1 4.25Å; F164-V214 HydrophobicContact CE1-CG1 3.36Å; F164-V214 HydrophobicContact CE2-CG1 4.27Å; F164-V214 HydrophobicContact CZ-CG1 3.36Å; M208-V214 HydrophobicContact CE-CG2 3.87Å; M208-V214 VanDerWaalsContact O-CB 3.23Å; M208-V214 WeakPolarHBondContact O-CB 3.5Å; M208-V214 WeakPolarHBondContact O-CG1 3.41Å; M208-V214 VanDerWaalsContact O-CG2 3.29Å; M208-V214 WeakPolarHBondContact O-CG2 3.27Å; Q211-V214 HydrophobicContact CB-CB 4.18Å; Q211-V214 HydrophobicContact CB-CG2 3.84Å; Q211-V214 WeakPolarHBondContact O-CB 3.23Å; Q211-V214 PolarHBondContact O-N 3.23Å; P212-V214 PolarHBondContact O-N 3.23Å; V214-N216 PolarHBondContact O-N 2.71Å; V214-V217 PolarHBondContact O-N 3.11Å; V214-T218 HydrophobicContact CG1-CG2 3.7Å; V214-T218 WeakPolarHBondContact O-CB 3.42Å; V214-T218 VanDerWaalsContact O-CG2 3.27Å; V214-T218 WeakPolarHBondContact O-CG2 3.4Å; V214-T218 PolarHBondContact O-N 2.89Å; V214-T218 VanDerWaalsContact O-N 3.09Å; V214-T218 PolarHBondContact O-OG1 3.46Å
215A96.3Very high95.9Very high57 Ų5744.1 Ų44.147%0.47123%0.229SC..Hα-helixtrans-58.7-33.4-178.100000112.5Q211 P212 V217Q211-A215 PolarHBondContact O-N 2.96Å; P212-A215 PolarHBondContact O-N 3.3Å; A215-V217 VanDerWaalsContact C-N 3.33Å; A215-V217 PolarHBondContact O-N 3.03Å
216N94.6Very high95.8Very high127 Ų12747.9 Ų47.968%0.67925%0.246SC*.THydrogen-bonded Turntrans-69.7-24.5-177.5-71.6-12.5000114.7P212 V214P212-N216 WeakPolarHBondContact O-CB 3.41Å; P212-N216 PolarHBondContact O-N 3.5Å; P212-N216 PolarHBondContact O-ND2 3.19Å; P212-N216 PolarHBondContact O-OD1 3.09Å; V214-N216 PolarHBondContact O-N 2.71Å
217V96.4Very high95.7Very high25 Ų2547.8 Ų47.815%0.15224%0.243CC..THydrogen-bonded Turntrans-125.4-12.5-169.1-59.20000114.3K32 L33 F213 V214 A215K32-V217 HydrophobicContact CB-CB 4.15Å; K32-V217 HydrophobicContact CB-CG2 4.14Å; K32-V217 VanDerWaalsContact CE-O 3.23Å; K32-V217 WeakPolarHBondContact CE-O 3.5Å; K32-V217 PolarHBondContact NZ-O 3.26Å; L33-V217 HydrophobicContact CD2-CG2 3.82Å; L33-V217 HydrophobicContact CG-CG2 4.37Å; F213-V217 WeakPolarHBondContact O-CG2 3.45Å; V214-V217 PolarHBondContact O-N 3.11Å; A215-V217 VanDerWaalsContact C-N 3.33Å; A215-V217 PolarHBondContact O-N 3.03Å
218T94.4Very high95.6Very high31 Ų3146.8 Ų46.819%0.1924%0.238CC..PPolyproline II helixtrans-80.5143-178.848.60000111.9L33 F164 V214L33-T218 HydrophobicContact CD2-CG2 4.43Å; F164-T218 HydrophobicContact CE1-CG2 3.61Å; F164-T218 HydrophobicContact CZ-CG2 4.15Å; V214-T218 HydrophobicContact CG1-CG2 3.7Å; V214-T218 WeakPolarHBondContact O-CB 3.42Å; V214-T218 VanDerWaalsContact O-CG2 3.27Å; V214-T218 WeakPolarHBondContact O-CG2 3.4Å; V214-T218 PolarHBondContact O-N 2.89Å; V214-T218 VanDerWaalsContact O-N 3.09Å; V214-T218 PolarHBondContact O-OG1 3.46Å
219V94.3Very high95.4Very high9 Ų948.3 Ų48.36%0.05525%0.25CS..PPolyproline II helixtrans-80.2132.4170.1175.60000108.2R23 F24 H168 I223 H224R23-V219 HydrophobicContact CG-CG2 3.87Å; F24-V219 HydrophobicContact CE1-CG1 3.95Å; H168-V219 PolarHBondContact NE2-O 2.81Å; V219-I223 HydrophobicContact CG1-CB 3.6Å; V219-I223 HydrophobicContact CG1-CG1 4.41Å; V219-I223 HydrophobicContact CG1-CG2 3.67Å; V219-H224 PolarHBondContact O-CD2 3.33Å; V219-H224 PolarHBondContact O-NE2 3.22Å
220P92.5Very high95.3Very high60 Ų6047.6 Ų47.639%0.3925%0.25SS..PPolyproline II helixtrans-59.3147177.5-26.935.8000112.7R222 I223 H224P220-R222 HydrophobicContact CB-CG 4.06Å; P220-R222 PolarHBondContact O-N 2.96Å; P220-R222 VanDerWaalsContact O-N 3.13Å; P220-I223 HydrophobicContact CB-CG1 4.34Å; P220-I223 HydrophobicContact CG-CG1 4.49Å; P220-I223 PolarHBondContact O-N 3.44Å; P220-H224 PolarHBondContact O-N 3.09Å
221Y89.9Confident95.2Very high43 Ų4341.5 Ų41.517%0.16923%0.227CC..Hα-helixtrans-55.8-33.8-179.163.7-95.9000112.7V172 I185 E187 I223 H224 A225V172-Y221 WeakPolarHBondContact CG2-O 3.38Å; I185-Y221 HydrophobicContact CG2-CD2 4.41Å; I185-Y221 VanDerWaalsContact O-CE2 3.32Å; I185-Y221 WeakPolarHBondContact O-CE2 3.06Å; E187-Y221 HydrophobicContact CB-CE1 4.21Å; E187-Y221 HydrophobicContact CG-CD1 3.89Å; E187-Y221 HydrophobicContact CG-CE1 3.52Å; E187-Y221 PolarHBondContact N-OH 2.88Å; E187-Y221 WeakPolarHBondContact OE1-CE1 3.37Å; Y221-I223 VanDerWaalsContact C-N 3.31Å; Y221-I223 PolarHBondContact O-N 3.33Å; Y221-H224 WeakPolarHBondContact O-CB 3.36Å; Y221-H224 PolarHBondContact O-N 3.19Å; Y221-A225 PolarHBondContact O-N 3.31Å
222R91.8Very high95Very high149 Ų14941.6 Ų41.656%0.56223%0.228SC*.Hα-helixtrans-61-39.1177.167.9-176.8-173.3-172.21.4112.4P220 A225 Q226P220-R222 HydrophobicContact CB-CG 4.06Å; P220-R222 PolarHBondContact O-N 2.96Å; P220-R222 VanDerWaalsContact O-N 3.13Å; R222-A225 WeakPolarHBondContact O-CB 3.28Å; R222-A225 PolarHBondContact O-N 3.38Å; R222-Q226 WeakPolarHBondContact O-CG 3.5Å; R222-Q226 PolarHBondContact O-N 2.94Å
223I95Very high94.8Very high4 Ų440.9 Ų40.92%0.02123%0.23CC..Hα-helixtrans-73.9-34.7178.5-53.8-55.6000109.6F24 V219 P220 Y221 Q226 Y227 I240 E241F24-I223 HydrophobicContact CE1-CG2 3.94Å; F24-I223 HydrophobicContact CZ-CG2 3.9Å; V219-I223 HydrophobicContact CG1-CB 3.6Å; V219-I223 HydrophobicContact CG1-CG1 4.41Å; V219-I223 HydrophobicContact CG1-CG2 3.67Å; P220-I223 HydrophobicContact CB-CG1 4.34Å; P220-I223 HydrophobicContact CG-CG1 4.49Å; P220-I223 PolarHBondContact O-N 3.44Å; Y221-I223 VanDerWaalsContact C-N 3.31Å; Y221-I223 PolarHBondContact O-N 3.33Å; I223-Q226 VanDerWaalsContact CD1-OE1 3.3Å; I223-Q226 PolarHBondContact O-N 3Å; I223-Y227 VanDerWaalsContact O-CB 3.3Å; I223-Y227 WeakPolarHBondContact O-CB 3.37Å; I223-Y227 PolarHBondContact O-N 2.96Å; I223-I240 HydrophobicContact CD1-CG2 4.43Å; I223-I240 HydrophobicContact CG2-CB 4.47Å; I223-I240 HydrophobicContact CG2-CG2 4.24Å; I223-E241 VanDerWaalsContact CD1-OXT 3.27Å; I223-E241 WeakPolarHBondContact CD1-OXT 3.46Å
224H95Very high94.5Very high7 Ų743.3 Ų43.33%0.03226%0.26CS..Hα-helixtrans-60.2-43.5169-79.2-68.7000112.3F24 R169 V172 V219 P220 Y221 Y227 A228F24-H224 AromaticContact CD1-CE1 3.77Å; F24-H224 AromaticContact CD1-ND1 3.52Å; R169-H224 PolarHBondContact NH2-CE1 3.05Å; R169-H224 VanDerWaalsContact NH2-CE1 3.29Å; V172-H224 HydrophobicContact CG2-CB 3.88Å; V219-H224 PolarHBondContact O-CD2 3.33Å; V219-H224 PolarHBondContact O-NE2 3.22Å; P220-H224 PolarHBondContact O-N 3.09Å; Y221-H224 WeakPolarHBondContact O-CB 3.36Å; Y221-H224 PolarHBondContact O-N 3.19Å; H224-Y227 PolarHBondContact O-N 3.41Å; H224-A228 WeakPolarHBondContact O-CB 3.49Å; H224-A228 PolarHBondContact O-N 3.02Å
225A95.4Very high94.2Very high3 Ų350.9 Ų50.93%0.02530%0.295CS..Hα-helixtrans-63.2-45.3177.600000112V172 P182 I185 Y221 R222 A228 A229V172-A225 HydrophobicContact CG1-CB 4.38Å; V172-A225 HydrophobicContact CG2-CB 4.3Å; P182-A225 HydrophobicContact CB-CB 4.1Å; I185-A225 HydrophobicContact CB-CB 4.38Å; I185-A225 HydrophobicContact CD1-CB 3.98Å; Y221-A225 PolarHBondContact O-N 3.31Å; R222-A225 WeakPolarHBondContact O-CB 3.28Å; R222-A225 PolarHBondContact O-N 3.38Å; A225-A228 PolarHBondContact O-N 3.48Å; A225-A229 WeakPolarHBondContact O-CB 3.49Å; A225-A229 PolarHBondContact O-N 3.49Å
226Q95.7Very high94Very high81 Ų8150.9 Ų50.938%0.37929%0.292SS..Hα-helixtrans-64.3-42.9176.2-69.9170.3-23.200112.1R222 I223 A229 S230 I240R222-Q226 WeakPolarHBondContact O-CG 3.5Å; R222-Q226 PolarHBondContact O-N 2.94Å; I223-Q226 VanDerWaalsContact CD1-OE1 3.3Å; I223-Q226 PolarHBondContact O-N 3Å; Q226-A229 PolarHBondContact O-N 3.12Å; Q226-S230 PolarHBondContact O-N 2.92Å; Q226-I240 HydrophobicContact CB-CD1 4.05Å; Q226-I240 HydrophobicContact CB-CG2 4.08Å; Q226-I240 VanDerWaalsContact OE1-CG2 3.24Å
227Y95.6Very high93.9Very high32 Ų3248.3 Ų48.313%0.12528%0.278CS..Hα-helixtrans-60.1-48.3174.4170.7-105.8000111.5F22 F24 I223 H224 A229 S230 V231 N237 P238F22-Y227 HydrophobicContact CZ-CE2 4.05Å; F22-Y227 AromaticContact CZ-CZ 3.75Å; F22-Y227 VanDerWaalsContact CZ-OH 3.29Å; F22-Y227 WeakPolarHBondContact CZ-OH 3.48Å; F24-Y227 HydrophobicContact CB-CD1 3.83Å; F24-Y227 HydrophobicContact CB-CE1 3.72Å; F24-Y227 HydrophobicContact CB-CG 4.46Å; F24-Y227 AromaticContact CD1-CD1 3.69Å; F24-Y227 HydrophobicContact CD1-CD1 3.69Å; F24-Y227 HydrophobicContact CD1-CE1 4.43Å; F24-Y227 AromaticContact CD1-CG 3.75Å; F24-Y227 HydrophobicContact CD1-CG 3.75Å; F24-Y227 AromaticContact CD2-CD1 3.89Å; F24-Y227 HydrophobicContact CD2-CD1 3.89Å; F24-Y227 AromaticContact CD2-CD2 3.6Å; F24-Y227 HydrophobicContact CD2-CD2 3.6Å; F24-Y227 HydrophobicContact CD2-CE1 4.1Å; F24-Y227 AromaticContact CD2-CE2 3.82Å; F24-Y227 HydrophobicContact CD2-CE2 3.82Å; F24-Y227 AromaticContact CD2-CG 3.64Å; F24-Y227 HydrophobicContact CD2-CG 3.64Å; F24-Y227 VanDerWaalsContact CE1-CB 3.47Å; F24-Y227 HydrophobicContact CE1-CD1 4.2Å; F24-Y227 AromaticContact CE1-CG 3.8Å; F24-Y227 HydrophobicContact CE1-CG 3.8Å; F24-Y227 HydrophobicContact CE2-CD1 4.39Å; F24-Y227 AromaticContact CE2-CD2 3.58Å; F24-Y227 HydrophobicContact CE2-CD2 3.58Å; F24-Y227 HydrophobicContact CE2-CE2 4.19Å; F24-Y227 AromaticContact CE2-CG 3.7Å; F24-Y227 HydrophobicContact CE2-CG 3.7Å; F24-Y227 AromaticContact CG-CD1 3.51Å; F24-Y227 HydrophobicContact CG-CD1 3.51Å; F24-Y227 HydrophobicContact CG-CD2 4.11Å; F24-Y227 AromaticContact CG-CE1 3.82Å; F24-Y227 HydrophobicContact CG-CE1 3.82Å; F24-Y227 HydrophobicContact CG-CE2 4.38Å; F24-Y227 AromaticContact CG-CG 3.67Å; F24-Y227 HydrophobicContact CG-CG 3.67Å; F24-Y227 HydrophobicContact CZ-CD2 4.06Å; F24-Y227 AromaticContact CZ-CG 3.78Å; F24-Y227 HydrophobicContact CZ-CG 3.78Å; I223-Y227 VanDerWaalsContact O-CB 3.3Å; I223-Y227 WeakPolarHBondContact O-CB 3.37Å; I223-Y227 PolarHBondContact O-N 2.96Å; H224-Y227 PolarHBondContact O-N 3.41Å; Y227-A229 VanDerWaalsContact C-N 3.3Å; Y227-A229 PolarHBondContact O-N 3.15Å; Y227-S230 WeakPolarHBondContact O-CB 3.36Å; Y227-S230 PolarHBondContact O-N 3.4Å; Y227-S230 VanDerWaalsContact O-N 3.1Å; Y227-S230 PolarHBondContact O-OG 3.16Å; Y227-V231 HydrophobicContact CD2-CG2 4.46Å; Y227-V231 HydrophobicContact CE1-CG2 4.03Å; Y227-V231 HydrophobicContact CE2-CG2 3.91Å; Y227-V231 WeakPolarHBondContact O-CG2 3.42Å; Y227-V231 PolarHBondContact O-N 3.47Å; Y227-N237 WeakPolarHBondContact CD2-O 3.37Å; Y227-P238 HydrophobicContact CD2-CB 4.49Å; Y227-P238 HydrophobicContact CE2-CB 4.1Å
228A95.1Very high93.8Very high4 Ų447.5 Ų47.53%0.03327%0.273CS..Hα-helixtrans-55.9-46.3175.800000111.1M122 H224 A225 S230 V231 L232M122-A228 HydrophobicContact CB-CB 4.37Å; H224-A228 WeakPolarHBondContact O-CB 3.49Å; H224-A228 PolarHBondContact O-N 3.02Å; A225-A228 PolarHBondContact O-N 3.48Å; A228-S230 VanDerWaalsContact C-N 3.34Å; A228-S230 PolarHBondContact O-N 2.86Å; A228-V231 WeakPolarHBondContact O-CB 3.24Å; A228-V231 PolarHBondContact O-N 3.45Å; A228-V231 VanDerWaalsContact O-N 3.15Å; A228-L232 WeakPolarHBondContact O-CG 3.26Å; A228-L232 PolarHBondContact O-N 2.92Å
229A94.9Very high93.7Very high32 Ų3248.4 Ų48.426%0.26428%0.277SS..Hα-helixtrans-60.8-38.8176.200000113.4P182 A225 Q226 Y227 V231 L232 A233P182-A229 HydrophobicContact CB-CB 4.43Å; P182-A229 HydrophobicContact CG-CB 3.47Å; P182-A229 VanDerWaalsContact CG-CB 3.47Å; A225-A229 WeakPolarHBondContact O-CB 3.49Å; A225-A229 PolarHBondContact O-N 3.49Å; Q226-A229 PolarHBondContact O-N 3.12Å; Y227-A229 VanDerWaalsContact C-N 3.3Å; Y227-A229 PolarHBondContact O-N 3.15Å; A229-V231 VanDerWaalsContact C-N 3.3Å; A229-V231 PolarHBondContact O-N 2.98Å; A229-L232 PolarHBondContact O-N 3.16Å; A229-A233 WeakPolarHBondContact O-CB 3.39Å; A229-A233 PolarHBondContact O-N 2.79Å
230S95.4Very high93.6Very high18 Ų1849.2 Ų49.213%0.12628%0.281CS..Hα-helixtrans-62.4-38.3175.380.10000112.1Q226 Y227 A228 A233 Q235 S236 N237Q226-S230 PolarHBondContact O-N 2.92Å; Y227-S230 WeakPolarHBondContact O-CB 3.36Å; Y227-S230 PolarHBondContact O-N 3.4Å; Y227-S230 VanDerWaalsContact O-N 3.1Å; Y227-S230 PolarHBondContact O-OG 3.16Å; A228-S230 VanDerWaalsContact C-N 3.34Å; A228-S230 PolarHBondContact O-N 2.86Å; S230-A233 PolarHBondContact O-N 3Å; S230-Q235 WeakPolarHBondContact CB-O 3.29Å; S230-Q235 CarbonylContact O-C 3.56Å; S230-Q235 PolarHBondContact O-N 2.85Å; S230-S236 PolarHBondContact O-N 3.23Å; S230-N237 PolarHBondContact OG-N 3.03Å
231V94.5Very high93.3Very high32 Ų3256.3 Ų56.319%0.19431%0.309CS..Hα-helixtrans-64.5-45.6175.3175.50000110.4C123 Y227 A228 A229 A233 G234C123-V231 HydrophobicContact CB-CG1 4.05Å; Y227-V231 HydrophobicContact CD2-CG2 4.46Å; Y227-V231 HydrophobicContact CE1-CG2 4.03Å; Y227-V231 HydrophobicContact CE2-CG2 3.91Å; Y227-V231 WeakPolarHBondContact O-CG2 3.42Å; Y227-V231 PolarHBondContact O-N 3.47Å; A228-V231 WeakPolarHBondContact O-CB 3.24Å; A228-V231 PolarHBondContact O-N 3.45Å; A228-V231 VanDerWaalsContact O-N 3.15Å; A229-V231 VanDerWaalsContact C-N 3.3Å; A229-V231 PolarHBondContact O-N 2.98Å; V231-A233 VanDerWaalsContact C-N 3.28Å; V231-A233 PolarHBondContact O-N 3.07Å; V231-G234 PolarHBondContact O-N 3.27Å
232L93.8Very high93.5Very high54 Ų5457 Ų5728%0.28332%0.316SS..Hα-helixtrans-62.5-34.5177.5-61.2176.6000113.3V124 P125 A228 A229 G234V124-L232 VanDerWaalsContact C-CD2 3.48Å; V124-L232 WeakPolarHBondContact O-CD2 3.26Å; P125-L232 HydrophobicContact CG-CD2 4.28Å; A228-L232 WeakPolarHBondContact O-CG 3.26Å; A228-L232 PolarHBondContact O-N 2.92Å; A229-L232 PolarHBondContact O-N 3.16Å; L232-G234 PolarHBondContact O-N 2.92Å
233A94.3Very high93.5Very high74 Ų7452.1 Ų52.161%0.61230%0.303SS*.THydrogen-bonded Turntrans-72.3-0.6176.100000113.1A229 S230 V231 Q235A229-A233 WeakPolarHBondContact O-CB 3.39Å; A229-A233 PolarHBondContact O-N 2.79Å; S230-A233 PolarHBondContact O-N 3Å; V231-A233 VanDerWaalsContact C-N 3.28Å; V231-A233 PolarHBondContact O-N 3.07Å; A233-Q235 PolarHBondContact O-N 2.95Å
234G92.4Very high93.5Very high68 Ų6854.8 Ų54.870%0.70132%0.318SS*.THydrogen-bonded Turntrans74.96.7-176.700000114V231 L232V231-G234 PolarHBondContact O-N 3.27Å; L232-G234 PolarHBondContact O-N 2.92Å
235Q90.8Very high93.4Very high159 Ų15957.6 Ų57.674%0.74334%0.335SS*.  trans-12462.8-178.2-62.3-177.412.900109.7S230 A233 N237S230-Q235 WeakPolarHBondContact CB-O 3.29Å; S230-Q235 CarbonylContact O-C 3.56Å; S230-Q235 PolarHBondContact O-N 2.85Å; A233-Q235 PolarHBondContact O-N 2.95Å; Q235-N237 PolarHBondContact O-N 3.26Å
236S92Very high93.2Very high57 Ų5761 Ų6140%0.39936%0.355SS..  trans-50.6112.7179.1-177.90000110.7S230 P238S230-S236 PolarHBondContact O-N 3.23Å; S236-P238 WeakPolarHBondContact O-CD 3.18Å
237N93.6Very high93.1Very high72 Ų7259.7 Ų59.739%0.38535%0.353SS..  trans-116.894-179.2-178.16.4000109.6Y227 S230 Q235 D239 I240Y227-N237 WeakPolarHBondContact CD2-O 3.37Å; S230-N237 PolarHBondContact OG-N 3.03Å; Q235-N237 PolarHBondContact O-N 3.26Å; N237-D239 PolarHBondContact O-N 3Å; N237-D239 PolarHBondContact OD1-N 2.97Å; N237-I240 HydrophobicContact CB-CD1 4.23Å; N237-I240 HydrophobicContact CB-CG1 4.07Å; N237-I240 WeakPolarHBondContact O-CD1 3.47Å; N237-I240 VanDerWaalsContact O-CG1 3.29Å; N237-I240 WeakPolarHBondContact O-CG1 3.36Å
238P93.7Very high92.9Very high8 Ų861.6 Ų61.65%0.05237%0.369CS..THydrogen-bonded Turntrans-80.7-1.5179.336.6-38.7000113.4H2 F22 R23 F24 Y227 S236H2-P238 HydrophobicContact CB-CG 4.02Å; H2-P238 PolarHBondContact CE1-O 2.91Å; H2-P238 PolarHBondContact ND1-O 3.3Å; F22-P238 HydrophobicContact CE2-CB 3.6Å; F22-P238 HydrophobicContact CE2-CG 4.24Å; F22-P238 HydrophobicContact CZ-CB 3.93Å; R23-P238 PolarHBondContact NH1-O 2.65Å; F24-P238 HydrophobicContact CD2-CB 4.18Å; F24-P238 HydrophobicContact CE2-CB 4.08Å; F24-P238 WeakPolarHBondContact CE2-O 3.38Å; Y227-P238 HydrophobicContact CD2-CB 4.49Å; Y227-P238 HydrophobicContact CE2-CB 4.1Å; S236-P238 WeakPolarHBondContact O-CD 3.18Å
239D92.9Very high92.7Very high50 Ų5066.1 Ų66.127%0.26740%0.395SS..THydrogen-bonded Turntrans-10220-178.3-61.8-53.1000112.5M1 H2 N237M1-D239 WeakPolarHBondContact CA-OD1 3.35Å; H2-D239 IonicContact CE1-OD1 3.69Å; H2-D239 IonicContact CG-OD1 3.41Å; H2-D239 PolarHBondContact N-OD1 3.06Å; H2-D239 VanDerWaalsContact N-OD1 3.14Å; H2-D239 IonicContact ND1-OD1 2.72Å; H2-D239 PolarHBondContact ND1-OD1 2.61Å; N237-D239 PolarHBondContact O-N 3Å; N237-D239 PolarHBondContact OD1-N 2.97Å
240I92Very high92.6Very high26 Ų2668.9 Ų68.913%0.13341%0.406CS..  trans-61.7133.7174.7-65.1164000110.6R23 I223 Q226 N237R23-I240 VanDerWaalsContact CZ-O 3.28Å; R23-I240 PolarHBondContact NH1-O 2.68Å; R23-I240 PolarHBondContact NH2-O 3.31Å; R23-I240 VanDerWaalsContact NH2-O 3.08Å; I223-I240 HydrophobicContact CD1-CG2 4.43Å; I223-I240 HydrophobicContact CG2-CB 4.47Å; I223-I240 HydrophobicContact CG2-CG2 4.24Å; Q226-I240 HydrophobicContact CB-CD1 4.05Å; Q226-I240 HydrophobicContact CB-CG2 4.08Å; Q226-I240 VanDerWaalsContact OE1-CG2 3.24Å; N237-I240 HydrophobicContact CB-CD1 4.23Å; N237-I240 HydrophobicContact CB-CG1 4.07Å; N237-I240 WeakPolarHBondContact O-CD1 3.47Å; N237-I240 VanDerWaalsContact O-CG1 3.29Å; N237-I240 WeakPolarHBondContact O-CG1 3.36Å
241E85.3Confident92.3Very high209 Ų20973.5 Ų73.598%0.97743%0.431SS*.  trans-102.30178.7-65-171.516700113I223I223-E241 VanDerWaalsContact CD1-OXT 3.27Å; I223-E241 WeakPolarHBondContact CD1-OXT 3.46Å

Retrieved 241 of 241 residues in 94.8 ms (Link to these results)

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